smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H]4COCC[C@H]43)cc2)CC1 ZINC000775736024 577444270 /nfs/dbraw/zinc/44/42/70/577444270.db2.gz JJDSNXLMQFJXLD-UYAOXDASSA-N 2 1 329.488 2.439 10 10 EECEMP CC(C)C[C@H]([NH2+][C@H](C)c1ccc(F)cc1O)C(=O)NCC[NH+](C)C ZINC000756860351 577851774 /nfs/dbraw/zinc/85/17/74/577851774.db2.gz UMLASZHKLNXYIZ-CJNGLKHVSA-N 2 1 339.455 2.274 10 10 EECEMP COc1cccc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)c1O ZINC000850357757 1277196959 /nfs/dbraw/zinc/19/69/59/1277196959.db2.gz UNEZGGLBBXQQDD-GOSISDBHSA-N 2 1 342.439 2.257 10 10 EECEMP CN(C)c1ccc(/C=C/C[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])cc1 ZINC000843122029 1315848134 /nfs/dbraw/zinc/84/81/34/1315848134.db2.gz NNYLBTVONGKFMP-ZMBJWTFHSA-N 2 1 344.503 2.085 10 10 EECEMP C[NH+]1CCN(c2ccc(CN3CCC[C@@]4(CC[NH2+]C4)C3)cc2F)CC1 ZINC001329433114 1334649367 /nfs/dbraw/zinc/64/93/67/1334649367.db2.gz LMZCSZVKIVAOKB-FQEVSTJZSA-N 2 1 346.494 2.153 10 10 EECEMP COc1ccc(C[NH2+][C@H](C)CNC(=O)[C@H]2CCCC[N@H+]2C)cc1C ZINC001662263629 1354770787 /nfs/dbraw/zinc/77/07/87/1354770787.db2.gz VGGRYYLVZCCWIC-NVXWUHKLSA-N 2 1 333.476 2.082 10 10 EECEMP CC[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001567951960 1124201933 /nfs/dbraw/zinc/20/19/33/1124201933.db2.gz DKXCYIRVWWPEOK-SJORKVTESA-N 2 1 333.476 2.082 10 10 EECEMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001490940339 1258493603 /nfs/dbraw/zinc/49/36/03/1258493603.db2.gz GFBLHEWZKIBJRX-QAQDUYKDSA-N 2 1 333.476 2.082 10 10 EECEMP C[NH+]1CCN(c2ccc(C[N@@H+]3C[C@H]4COC[C@]4(C)C3)cc2F)CC1 ZINC001261688882 1322155276 /nfs/dbraw/zinc/15/52/76/1322155276.db2.gz YIDCZJYWHJLRQL-LPHOPBHVSA-N 2 1 333.451 2.046 10 10 EECEMP C[NH+]1CCN(c2ccc(C[N@H+]3C[C@H]4COC[C@]4(C)C3)cc2F)CC1 ZINC001261688882 1322155280 /nfs/dbraw/zinc/15/52/80/1322155280.db2.gz YIDCZJYWHJLRQL-LPHOPBHVSA-N 2 1 333.451 2.046 10 10 EECEMP C[C@H]1CC2(C[N@H+]1Cc1ccc(N3CCOCC3)cc1)CC[NH2+]CC2 ZINC000818431412 785262999 /nfs/dbraw/zinc/26/29/99/785262999.db2.gz LPIVATPDYDTCGI-KRWDZBQOSA-N 2 1 329.488 2.487 10 10 EECEMP COc1cccc(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)c1O ZINC000093147802 533481237 /nfs/dbraw/zinc/48/12/37/533481237.db2.gz UYKFKPWWKAVVPR-KRWDZBQOSA-N 2 1 333.476 2.003 10 10 EECEMP COc1cccc(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)c1O ZINC000093147802 533481241 /nfs/dbraw/zinc/48/12/41/533481241.db2.gz UYKFKPWWKAVVPR-KRWDZBQOSA-N 2 1 333.476 2.003 10 10 EECEMP C[N@H+](Cc1ccc(N2CCOCC2)cc1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903878766 1242292278 /nfs/dbraw/zinc/29/22/78/1242292278.db2.gz YIEWJOIMQJVJQJ-YQQQUEKLSA-N 2 1 329.488 2.486 10 10 EECEMP Oc1ccc(Cl)cc1CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903980087 1242841732 /nfs/dbraw/zinc/84/17/32/1242841732.db2.gz GXFZKYJVKBLHDJ-CALCHBBNSA-N 2 1 335.879 2.446 10 10 EECEMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001265452573 1323162920 /nfs/dbraw/zinc/16/29/20/1323162920.db2.gz LFANQEGTMVQNBJ-KRWDZBQOSA-N 2 1 333.476 2.036 10 10 EECEMP C[NH+]1CCN(c2ccc(CN[C@@H]3CC[NH2+]C34CCCC4)cc2F)CC1 ZINC001332358657 1335809488 /nfs/dbraw/zinc/80/94/88/1335809488.db2.gz JRJJWSTYUGCGTH-LJQANCHMSA-N 2 1 346.494 2.342 10 10 EECEMP Cc1cc(Br)c(O)c(C[NH2+]CCOCC[NH+](C)C)c1 ZINC000788071808 788172266 /nfs/dbraw/zinc/17/22/66/788172266.db2.gz PRFWYYXGXCXBPP-UHFFFAOYSA-N 2 1 331.254 2.131 10 10 EECEMP CCOc1ccc(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)c(O)c1 ZINC000769342387 577575520 /nfs/dbraw/zinc/57/55/20/577575520.db2.gz LZMQYBAZQSPPGB-SFHVURJKSA-N 2 1 347.503 2.393 10 10 EECEMP CCOc1ccc(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)c(O)c1 ZINC000769342387 577575521 /nfs/dbraw/zinc/57/55/21/577575521.db2.gz LZMQYBAZQSPPGB-SFHVURJKSA-N 2 1 347.503 2.393 10 10 EECEMP C[C@@H]1C[N@@H+](Cc2cc3c(cc2O)CCC3)CC[C@H]1N1CC[NH+](C)CC1 ZINC000763343980 577719602 /nfs/dbraw/zinc/71/96/02/577719602.db2.gz ZNLSNKWNAQUULZ-OXQOHEQNSA-N 2 1 343.515 2.339 10 10 EECEMP c1cc2c(cc1C[NH2+]C1CCC(N3CC[NH2+]CC3)CC1)CCCO2 ZINC000904358613 694372575 /nfs/dbraw/zinc/37/25/75/694372575.db2.gz QEWPBPYXPVJFBO-UHFFFAOYSA-N 2 1 329.488 2.318 10 10 EECEMP COc1ccc(C[NH2+][C@H]2CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]2C)cc1C ZINC001274296154 1204988095 /nfs/dbraw/zinc/98/80/95/1204988095.db2.gz AVHHBUMCPLHBCF-WMZOPIPTSA-N 2 1 347.503 2.280 10 10 EECEMP COc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1C ZINC001274893829 1205202819 /nfs/dbraw/zinc/20/28/19/1205202819.db2.gz CFRUMVITQPXEEP-RYRKJORJSA-N 2 1 347.503 2.328 10 10 EECEMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@]4(C3)CCC[NH2+]C4)cc2)CC1 ZINC000843118238 1315847201 /nfs/dbraw/zinc/84/72/01/1315847201.db2.gz DZTCCTVSWGOCRK-FQEVSTJZSA-N 3 1 328.504 2.014 10 10 EECEMP C[NH+]1CCN(c2ccc(CN3CC[C@@]4(C3)CCC[NH2+]C4)cc2)CC1 ZINC000843118238 1315847202 /nfs/dbraw/zinc/84/72/02/1315847202.db2.gz DZTCCTVSWGOCRK-FQEVSTJZSA-N 2 1 328.504 2.014 10 10 EECEMP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)c1ccnn1C ZINC001351782899 1337848150 /nfs/dbraw/zinc/84/81/50/1337848150.db2.gz JPSKXRYGQADKAD-AWEZNQCLSA-N 2 1 331.439 2.162 10 10 EECEMP COc1cc(C)cc(C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c1O ZINC000754732675 577811663 /nfs/dbraw/zinc/81/16/63/577811663.db2.gz UHCKYYWOKJTESO-GOSISDBHSA-N 2 1 347.503 2.311 10 10 EECEMP COc1c([O-])c(C[N@H+]2CCCC[C@]3(CC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC000903959263 1331618054 /nfs/dbraw/zinc/61/80/54/1331618054.db2.gz DDOKFPQUNITBIU-QGZVFWFLSA-N 2 1 335.404 2.275 10 10 EECEMP COc1c(O)c(CN2CCCC[C@]3(CC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC000903959263 1331618061 /nfs/dbraw/zinc/61/80/61/1331618061.db2.gz DDOKFPQUNITBIU-QGZVFWFLSA-N 2 1 335.404 2.275 10 10 EECEMP C[NH+]1CCN(c2ccc(C[NH2+]C[C@H]3CCOC3(C)C)cc2F)CC1 ZINC001328085087 1334393689 /nfs/dbraw/zinc/39/36/89/1334393689.db2.gz MAXDWXNZBAYVCB-MRXNPFEDSA-N 2 1 335.467 2.482 10 10 EECEMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H]4COCC[C@@H]43)cc2)CC1 ZINC000775736022 577444259 /nfs/dbraw/zinc/44/42/59/577444259.db2.gz JJDSNXLMQFJXLD-ICSRJNTNSA-N 2 1 329.488 2.439 10 10 EECEMP COc1ccc(C[NH2+]CCN(C)C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)cc1C ZINC001267473566 1179105237 /nfs/dbraw/zinc/10/52/37/1179105237.db2.gz KQRRXPYJFLHVAU-CALCHBBNSA-N 2 1 347.503 2.424 10 10 EECEMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001321864927 1333170312 /nfs/dbraw/zinc/17/03/12/1333170312.db2.gz BDGAKMBSIAFZMU-FUHWJXTLSA-N 2 1 347.503 2.472 10 10 EECEMP COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)Cn2c[nH+]cc2C)cc1C ZINC001698839118 1405100362 /nfs/dbraw/zinc/10/03/62/1405100362.db2.gz NAHVWSLURSKGRE-HNNXBMFYSA-N 2 1 344.459 2.145 10 10 EECEMP CC[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001567974353 1124212702 /nfs/dbraw/zinc/21/27/02/1124212702.db2.gz XMJKCPICGUHWKV-MSOLQXFVSA-N 2 1 347.503 2.472 10 10 EECEMP C[NH+](C)C1CCN(CC[NH2+]Cc2cc(Cl)c(F)cc2O)CC1 ZINC000293681653 464417389 /nfs/dbraw/zinc/41/73/89/464417389.db2.gz RLHDKNMZMPMAJB-UHFFFAOYSA-N 2 1 329.847 2.300 10 10 EECEMP COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)C[N@@H+](C)C(C)C)cc1C ZINC001485960700 1193659759 /nfs/dbraw/zinc/65/97/59/1193659759.db2.gz KMAXZHLMYDULOQ-MRXNPFEDSA-N 2 1 335.492 2.280 10 10 EECEMP Cc1cc(N(C)C)ccc1C[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000841086695 1315471496 /nfs/dbraw/zinc/47/14/96/1315471496.db2.gz DEOHQOOMHPTSNM-UHFFFAOYSA-N 2 1 330.520 2.367 10 10 EECEMP CCOc1ccc(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)c(O)c1 ZINC000841086674 1315471671 /nfs/dbraw/zinc/47/16/71/1315471671.db2.gz CFYXHCRUHSRZMH-UHFFFAOYSA-N 2 1 333.476 2.097 10 10 EECEMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)cc2)CC1 ZINC000843046557 1315828446 /nfs/dbraw/zinc/82/84/46/1315828446.db2.gz ZKLCORPUILYFIC-CTNGQTDRSA-N 3 1 342.531 2.402 10 10 EECEMP CC[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001567951957 1124201770 /nfs/dbraw/zinc/20/17/70/1124201770.db2.gz DKXCYIRVWWPEOK-IRXDYDNUSA-N 2 1 333.476 2.082 10 10 EECEMP Cc1cc(O)c(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)cc1C ZINC000903980296 1242843871 /nfs/dbraw/zinc/84/38/71/1242843871.db2.gz NXMFAJIGFWFJFJ-KDURUIRLSA-N 2 1 329.488 2.410 10 10 EECEMP Cc1cc(O)c(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)cc1C ZINC000903980296 1242843882 /nfs/dbraw/zinc/84/38/82/1242843882.db2.gz NXMFAJIGFWFJFJ-KDURUIRLSA-N 2 1 329.488 2.410 10 10 EECEMP Cc1cc(O)c(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)cc1C ZINC000903980296 1242843890 /nfs/dbraw/zinc/84/38/90/1242843890.db2.gz NXMFAJIGFWFJFJ-KDURUIRLSA-N 2 1 329.488 2.410 10 10 EECEMP COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)C[N@@H+](C)C(C)C)C2)cc1C ZINC001491080857 1258647539 /nfs/dbraw/zinc/64/75/39/1258647539.db2.gz UOXHIFSFOUKPQW-CALCHBBNSA-N 2 1 333.476 2.081 10 10 EECEMP COCC1(CC[NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC1 ZINC001329415582 1334646019 /nfs/dbraw/zinc/64/60/19/1334646019.db2.gz VFTQVJVSWOTWKT-UHFFFAOYSA-N 2 1 335.467 2.484 10 10 EECEMP COc1ccc(O)c(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000180074670 464235170 /nfs/dbraw/zinc/23/51/70/464235170.db2.gz WYMOODWFQCGIBB-KRWDZBQOSA-N 2 1 333.476 2.003 10 10 EECEMP COc1ccc(O)c(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)c1 ZINC000180074670 464235176 /nfs/dbraw/zinc/23/51/76/464235176.db2.gz WYMOODWFQCGIBB-KRWDZBQOSA-N 2 1 333.476 2.003 10 10 EECEMP CN(C)c1ccc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)cc1F ZINC000903980074 1242840636 /nfs/dbraw/zinc/84/06/36/1242840636.db2.gz GBBICTIFHWZGJX-HDICACEKSA-N 2 1 346.494 2.292 10 10 EECEMP COc1ccc(C[NH2+][C@@H](C)CCNC(=O)Cn2cc[nH+]c2C)cc1C ZINC001492126867 1330980478 /nfs/dbraw/zinc/98/04/78/1330980478.db2.gz BGVOCRPAOCCVFA-HNNXBMFYSA-N 2 1 344.459 2.193 10 10 EECEMP CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001318524852 1332555550 /nfs/dbraw/zinc/55/55/50/1332555550.db2.gz QJKJEEMQFHIVFT-BPQIPLTHSA-N 2 1 347.503 2.328 10 10 EECEMP C[NH2+]CCOCC[NH2+][C@H](C)c1cc(Br)c(F)cc1O ZINC000863544047 690717072 /nfs/dbraw/zinc/71/70/72/690717072.db2.gz JNQWGUXLEBCFEN-SECBINFHSA-N 2 1 335.217 2.180 10 10 EECEMP COc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)Cn2cc[nH+]c2C)cc1C ZINC001485223779 1191702901 /nfs/dbraw/zinc/70/29/01/1191702901.db2.gz BORGLJOZBIASRS-GJZGRUSLSA-N 2 1 344.459 2.192 10 10 EECEMP C[C@H]([NH2+]CCN1CCC([NH3+])CC1)c1cccc(C(F)(F)F)c1O ZINC000925817625 1206157209 /nfs/dbraw/zinc/15/72/09/1206157209.db2.gz UDFCZLVWKDBGSD-NSHDSACASA-N 2 1 331.382 2.485 10 10 EECEMP COc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CCCC[N@H+]2C)cc1C ZINC001491556093 1303211323 /nfs/dbraw/zinc/21/13/23/1303211323.db2.gz VGGRYYLVZCCWIC-RDJZCZTQSA-N 2 1 333.476 2.082 10 10 EECEMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)cc2)CC1 ZINC000843046560 1315828343 /nfs/dbraw/zinc/82/83/43/1315828343.db2.gz ZKLCORPUILYFIC-TZIWHRDSSA-N 3 1 342.531 2.402 10 10 EECEMP Cc1ccc(C[N@H+](CCO)Cc2ccc(N3CC[NH+](C)CC3)cc2)o1 ZINC000793366805 810286873 /nfs/dbraw/zinc/28/68/73/810286873.db2.gz UGCVXFRLTAGLPB-UHFFFAOYSA-N 2 1 343.471 2.334 10 10 EECEMP COc1ccc(C[NH2+]C[C@H](C)CNC(=O)C[N@H+]2CC[C@H](C)C2)cc1C ZINC001495741622 1101510938 /nfs/dbraw/zinc/51/09/38/1101510938.db2.gz BZNGTXWUNMBBEC-HOTGVXAUSA-N 2 1 347.503 2.187 10 10 EECEMP COc1ccc(C[NH2+]C/C=C/CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1C ZINC001568851676 1124872016 /nfs/dbraw/zinc/87/20/16/1124872016.db2.gz IYHQWNSMAXDPLS-WXFDERKXSA-N 2 1 345.487 2.106 10 10 EECEMP COc1cc(C)cc(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)c1O ZINC000754732676 577811728 /nfs/dbraw/zinc/81/17/28/577811728.db2.gz UHCKYYWOKJTESO-SFHVURJKSA-N 2 1 347.503 2.311 10 10 EECEMP COc1ccc(C[NH2+]C/C=C/CNC(=O)C[N@H+]2CC[C@@H](C)C2)cc1C ZINC001483061043 1188360997 /nfs/dbraw/zinc/36/09/97/1188360997.db2.gz RNGPSFFQAJBHDE-DWTRPJMMSA-N 2 1 345.487 2.107 10 10 EECEMP COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)C[C@H]2CC[N@@H+](C)C2)cc1C ZINC001277988802 1305611210 /nfs/dbraw/zinc/61/12/10/1305611210.db2.gz UBQIHVNKYVVRKW-FUHWJXTLSA-N 2 1 347.503 2.282 10 10 EECEMP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CO[C@H](C4CC4)C3)cc2F)CC1 ZINC001329174032 1334600626 /nfs/dbraw/zinc/60/06/26/1334600626.db2.gz RQLMYVQDMJVOTN-APWZRJJASA-N 2 1 333.451 2.235 10 10 EECEMP CCC1([NH3+])CCN(Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC1 ZINC001350647556 1337731433 /nfs/dbraw/zinc/73/14/33/1337731433.db2.gz RZNICTJRIPJHEM-UHFFFAOYSA-N 2 1 334.483 2.281 10 10 EECEMP C[C@@H]1CC2(C[N@H+]1Cc1ccc(N3CCOCC3)cc1)CC[NH2+]CC2 ZINC000818431413 785254317 /nfs/dbraw/zinc/25/43/17/785254317.db2.gz LPIVATPDYDTCGI-QGZVFWFLSA-N 2 1 329.488 2.487 10 10 EECEMP CN(C)c1ccc(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC000093146551 529780373 /nfs/dbraw/zinc/78/03/73/529780373.db2.gz LCKSIVRQJNYROZ-FQEVSTJZSA-N 2 1 330.520 2.355 10 10 EECEMP CN(C)c1ccc(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)cc1 ZINC000093146551 529780374 /nfs/dbraw/zinc/78/03/74/529780374.db2.gz LCKSIVRQJNYROZ-FQEVSTJZSA-N 2 1 330.520 2.355 10 10 EECEMP [NH3+]C1(C[NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CCOCC1 ZINC000863645769 1296362586 /nfs/dbraw/zinc/36/25/86/1296362586.db2.gz NGGHURHMQSQSDD-UHFFFAOYSA-N 2 1 348.447 2.183 10 10 EECEMP C[NH+]1CCN(c2ccc(C[NH2+]CCOCC3CCC3)cc2F)CC1 ZINC001118170776 1306302515 /nfs/dbraw/zinc/30/25/15/1306302515.db2.gz RLSGMKFWMPEFTM-UHFFFAOYSA-N 2 1 335.467 2.484 10 10 EECEMP CCO[C@H](C[NH2+]C1CCN(c2ccc(OC)cc2)CC1)C[NH+](C)C ZINC000922755247 801821655 /nfs/dbraw/zinc/82/16/55/801821655.db2.gz ZIEXIAFMTITRCJ-LJQANCHMSA-N 2 1 335.492 2.220 10 10 EECEMP COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2C)cc1C ZINC001482816171 1187749392 /nfs/dbraw/zinc/74/93/92/1187749392.db2.gz DLGMSYGCTDSPLT-WBVHZDCISA-N 2 1 333.476 2.082 10 10 EECEMP CC[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001567984045 1124215691 /nfs/dbraw/zinc/21/56/91/1124215691.db2.gz FKKDRRPUINCLOJ-MSOLQXFVSA-N 2 1 347.503 2.330 10 10 EECEMP COc1ccnc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)c1F ZINC000850380970 1277204728 /nfs/dbraw/zinc/20/47/28/1277204728.db2.gz RVGVMKHOECSOMU-UHFFFAOYSA-N 2 1 344.434 2.271 10 10 EECEMP C[C@H]1CCNC[C@@H]1[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000817915921 785068971 /nfs/dbraw/zinc/06/89/71/785068971.db2.gz BIJWAKXZHUKSFG-UWJYYQICSA-N 2 1 342.531 2.306 10 10 EECEMP Cc1cc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)ccc1N(C)C ZINC000923430221 789531471 /nfs/dbraw/zinc/53/14/71/789531471.db2.gz DCPXCGXFBWRNQU-BGYRXZFFSA-N 2 1 342.531 2.462 10 10 EECEMP Cc1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)ccc1N(C)C ZINC000923430221 789531475 /nfs/dbraw/zinc/53/14/75/789531475.db2.gz DCPXCGXFBWRNQU-BGYRXZFFSA-N 2 1 342.531 2.462 10 10 EECEMP Cc1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)ccc1N(C)C ZINC000923430221 789531480 /nfs/dbraw/zinc/53/14/80/789531480.db2.gz DCPXCGXFBWRNQU-BGYRXZFFSA-N 2 1 342.531 2.462 10 10 EECEMP C[NH+]1CCN(c2ccc(C[NH2+][C@@H](c3ncccn3)C3CC3)cc2)CC1 ZINC000922579012 801362096 /nfs/dbraw/zinc/36/20/96/801362096.db2.gz OCEHGMIAGXHAJQ-LJQANCHMSA-N 2 1 337.471 2.469 10 10 EECEMP COc1ccc(C[NH2+]CCCN(C)C(=O)C[N@H+]2CC[C@H](C)C2)cc1C ZINC001498614075 1107811734 /nfs/dbraw/zinc/81/17/34/1107811734.db2.gz VWXCMNOJJGOCJE-INIZCTEOSA-N 2 1 347.503 2.284 10 10 EECEMP C[C@H]1C[N@@H+](Cc2cc3c(cc2O)CCC3)CC[C@H]1N1CC[NH+](C)CC1 ZINC000763343978 577719569 /nfs/dbraw/zinc/71/95/69/577719569.db2.gz ZNLSNKWNAQUULZ-OXJNMPFZSA-N 2 1 343.515 2.339 10 10 EECEMP COc1ccc(C[NH2+]C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C2CC2)cc1C ZINC001670454264 1176798318 /nfs/dbraw/zinc/79/83/18/1176798318.db2.gz AHMURZSVQVPPSQ-QZTJIDSGSA-N 2 1 345.487 2.082 10 10 EECEMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@]4(CC[NH2+]C4)C3)cc2)CC1 ZINC000843124006 1315848453 /nfs/dbraw/zinc/84/84/53/1315848453.db2.gz SYWOZIVCHFOXCU-HXUWFJFHSA-N 3 1 328.504 2.014 10 10 EECEMP C[NH+]1CCN(c2ccc(CN3CCC[C@]4(CC[NH2+]C4)C3)cc2)CC1 ZINC000843124006 1315848457 /nfs/dbraw/zinc/84/84/57/1315848457.db2.gz SYWOZIVCHFOXCU-HXUWFJFHSA-N 2 1 328.504 2.014 10 10 EECEMP COc1ccc(O)c(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000180074651 464236212 /nfs/dbraw/zinc/23/62/12/464236212.db2.gz WYMOODWFQCGIBB-QGZVFWFLSA-N 2 1 333.476 2.003 10 10 EECEMP COc1ccc(O)c(C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c1 ZINC000180074651 464236219 /nfs/dbraw/zinc/23/62/19/464236219.db2.gz WYMOODWFQCGIBB-QGZVFWFLSA-N 2 1 333.476 2.003 10 10 EECEMP CC[C@H]1[C@H](CO)CC[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001327953105 1334369370 /nfs/dbraw/zinc/36/93/70/1334369370.db2.gz UFXNDVAMIOQCIM-WMZOPIPTSA-N 2 1 335.467 2.170 10 10 EECEMP CC[C@H]1[C@H](CO)CC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001327953105 1334369375 /nfs/dbraw/zinc/36/93/75/1334369375.db2.gz UFXNDVAMIOQCIM-WMZOPIPTSA-N 2 1 335.467 2.170 10 10 EECEMP COc1ccc(O)c([C@H](C)[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)c1 ZINC000817984422 785133532 /nfs/dbraw/zinc/13/35/32/785133532.db2.gz YBSULZBLVXESGH-FHERZECASA-N 2 1 333.476 2.268 10 10 EECEMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001267379789 1178927907 /nfs/dbraw/zinc/92/79/07/1178927907.db2.gz LOGCNEHKDBOCEV-SFHVURJKSA-N 2 1 347.503 2.426 10 10 EECEMP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000843296556 1315883792 /nfs/dbraw/zinc/88/37/92/1315883792.db2.gz AXLOVFJBBVXOKN-PBHICJAKSA-N 2 1 343.475 2.279 10 10 EECEMP C[NH2+]Cc1ccccc1C[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000844904438 789444183 /nfs/dbraw/zinc/44/41/83/789444183.db2.gz MATXLKZUJMGQFH-UHFFFAOYSA-N 2 1 338.499 2.448 10 10 EECEMP CCOc1ccc(O)c(C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c1 ZINC000121145553 463087656 /nfs/dbraw/zinc/08/76/56/463087656.db2.gz XJSUSLWKIIDCHF-HNNXBMFYSA-N 2 1 336.476 2.316 10 10 EECEMP CN(Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000775680376 577442578 /nfs/dbraw/zinc/44/25/78/577442578.db2.gz BOONSGGKJCMYMH-FQEVSTJZSA-N 2 1 328.504 2.107 10 10 EECEMP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@H]1CCN(C2CC2)C1 ZINC000775680376 577442579 /nfs/dbraw/zinc/44/25/79/577442579.db2.gz BOONSGGKJCMYMH-FQEVSTJZSA-N 2 1 328.504 2.107 10 10 EECEMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@H]1CCN(C2CC2)C1 ZINC000775680376 577442580 /nfs/dbraw/zinc/44/25/80/577442580.db2.gz BOONSGGKJCMYMH-FQEVSTJZSA-N 2 1 328.504 2.107 10 10 EECEMP CCOc1ccc(O)c(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)c1 ZINC000903979980 1242841561 /nfs/dbraw/zinc/84/15/61/1242841561.db2.gz AVJDGVQYDIURDC-HDICACEKSA-N 2 1 345.487 2.192 10 10 EECEMP CCOc1ccc(O)c(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)c1 ZINC000903979980 1242841579 /nfs/dbraw/zinc/84/15/79/1242841579.db2.gz AVJDGVQYDIURDC-HDICACEKSA-N 2 1 345.487 2.192 10 10 EECEMP CCOc1ccc(O)c(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)c1 ZINC000903979980 1242841592 /nfs/dbraw/zinc/84/15/92/1242841592.db2.gz AVJDGVQYDIURDC-HDICACEKSA-N 2 1 345.487 2.192 10 10 EECEMP COc1ccc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CCCC[N@H+]2C)cc1C ZINC001491556095 1303210884 /nfs/dbraw/zinc/21/08/84/1303210884.db2.gz VGGRYYLVZCCWIC-WBVHZDCISA-N 2 1 333.476 2.082 10 10 EECEMP C[NH+]1CCN(c2ccc(C[NH2+]CCC3(CO)CCC3)cc2F)CC1 ZINC001118246220 1306325115 /nfs/dbraw/zinc/32/51/15/1306325115.db2.gz OBXUBYZUZKKAQG-UHFFFAOYSA-N 2 1 335.467 2.220 10 10 EECEMP CCC[N@@H+](C)CC(=O)N1C[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C[C@@H]1C ZINC001571490953 1343219269 /nfs/dbraw/zinc/21/92/69/1343219269.db2.gz LDUZYNAOYLVMLZ-WMZOPIPTSA-N 2 1 347.503 2.424 10 10 EECEMP CCOc1ccc(O)c(C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c1 ZINC000121145369 463087235 /nfs/dbraw/zinc/08/72/35/463087235.db2.gz XJSUSLWKIIDCHF-OAHLLOKOSA-N 2 1 336.476 2.316 10 10 EECEMP COc1ccc(O)c(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c1 ZINC000377713883 467124261 /nfs/dbraw/zinc/12/42/61/467124261.db2.gz BVTWANGIQFUAPL-JWTNVVGKSA-N 2 1 345.487 2.144 10 10 EECEMP CCCn1cc([C@@H](C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)nn1 ZINC000903089914 1239708648 /nfs/dbraw/zinc/70/86/48/1239708648.db2.gz WVUYIKJNQLNZDZ-MRXNPFEDSA-N 2 1 342.491 2.291 10 10 EECEMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000843296560 1315883766 /nfs/dbraw/zinc/88/37/66/1315883766.db2.gz AXLOVFJBBVXOKN-WMLDXEAASA-N 2 1 343.475 2.279 10 10 EECEMP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)CCN1C ZINC000775717899 577443624 /nfs/dbraw/zinc/44/36/24/577443624.db2.gz UGWHBBMBZTUQDE-YLJYHZDGSA-N 2 1 330.520 2.353 10 10 EECEMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H]([C@H]4CCCO4)C3)cc2)CC1 ZINC000895845769 684746553 /nfs/dbraw/zinc/74/65/53/684746553.db2.gz IUCUMRLSZBJXCH-UYAOXDASSA-N 2 1 329.488 2.439 10 10 EECEMP C[NH+]1CCN(c2ccc(C[N@H+]3CCCC[C@]4(CC[NH2+]C4)C3)cc2)CC1 ZINC000903959904 1242732575 /nfs/dbraw/zinc/73/25/75/1242732575.db2.gz RNWDSIQJNZOSHG-OAQYLSRUSA-N 3 1 342.531 2.404 10 10 EECEMP CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)Cn1cc[nH+]c1C ZINC001273752774 1284812334 /nfs/dbraw/zinc/81/23/34/1284812334.db2.gz LBRHGSORWIIBBB-UHFFFAOYSA-N 2 1 344.459 2.147 10 10 EECEMP C[NH+]1CCN(c2ccc(C[N@H+]3CCO[C@H](C4CCC4)C3)cc2)CC1 ZINC000840953832 1315444876 /nfs/dbraw/zinc/44/48/76/1315444876.db2.gz BDFPBGDZFACGQT-FQEVSTJZSA-N 2 1 329.488 2.439 10 10 EECEMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001317121121 1332087197 /nfs/dbraw/zinc/08/71/97/1332087197.db2.gz GFBLHEWZKIBJRX-CALCHBBNSA-N 2 1 333.476 2.082 10 10 EECEMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001567022914 1342681414 /nfs/dbraw/zinc/68/14/14/1342681414.db2.gz WDHAQCBPGZVBDB-FUHWJXTLSA-N 2 1 347.503 2.472 10 10 EECEMP Cn1cc[nH+]c1CC1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000121799739 463198184 /nfs/dbraw/zinc/19/81/84/463198184.db2.gz OBIAMKPRWPSGOF-UHFFFAOYSA-N 2 1 329.400 2.309 10 10 EECEMP C[NH+]1CCN(c2ccc(C[N@H+]3CCO[C@](C)(C4CC4)C3)cc2)CC1 ZINC000826877785 1248106170 /nfs/dbraw/zinc/10/61/70/1248106170.db2.gz MFAHQHXXTVNWMM-FQEVSTJZSA-N 2 1 329.488 2.439 10 10 EECEMP C[NH+]1CCN(c2ccc(C[NH2+][C@@]34C[C@@H]3COC4(C)C)cc2F)CC1 ZINC001118860384 1308953118 /nfs/dbraw/zinc/95/31/18/1308953118.db2.gz NHBLCQBJTBCGRT-BEFAXECRSA-N 2 1 333.451 2.235 10 10 EECEMP COc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2CCCC[N@H+]2C)cc1C ZINC001321563828 1333125439 /nfs/dbraw/zinc/12/54/39/1333125439.db2.gz NZKWQGFUQINDKW-WBVHZDCISA-N 2 1 333.476 2.082 10 10 EECEMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001567022915 1342681705 /nfs/dbraw/zinc/68/17/05/1342681705.db2.gz WDHAQCBPGZVBDB-SJLPKXTDSA-N 2 1 347.503 2.472 10 10 EECEMP CCOc1ccc(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)c(O)c1 ZINC000769342386 577575509 /nfs/dbraw/zinc/57/55/09/577575509.db2.gz LZMQYBAZQSPPGB-GOSISDBHSA-N 2 1 347.503 2.393 10 10 EECEMP CCOc1ccc(C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c(O)c1 ZINC000769342386 577575510 /nfs/dbraw/zinc/57/55/10/577575510.db2.gz LZMQYBAZQSPPGB-GOSISDBHSA-N 2 1 347.503 2.393 10 10 EECEMP COc1ccc(C[NH2+]C[C@H](C)CNC(=O)Cn2cc[nH+]c2C)cc1C ZINC001666666703 1355562029 /nfs/dbraw/zinc/56/20/29/1355562029.db2.gz GYIRQHWYADTAQT-AWEZNQCLSA-N 2 1 344.459 2.051 10 10 EECEMP COc1c(O)c(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)ccc1[N+](=O)[O-] ZINC000278521333 463969613 /nfs/dbraw/zinc/96/96/13/463969613.db2.gz SDSIFQYMNWMNCS-AGUYFDCRSA-N 2 1 335.404 2.414 10 10 EECEMP COc1c(O)c(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)ccc1[N+](=O)[O-] ZINC000278521333 463969622 /nfs/dbraw/zinc/96/96/22/463969622.db2.gz SDSIFQYMNWMNCS-AGUYFDCRSA-N 2 1 335.404 2.414 10 10 EECEMP C[NH+]1CCN(c2ccc(C[NH+]3CC4(C3)CCOCC4)cc2F)CC1 ZINC001324710570 1333743728 /nfs/dbraw/zinc/74/37/28/1333743728.db2.gz NMNWQMMHXLZJGQ-UHFFFAOYSA-N 2 1 333.451 2.190 10 10 EECEMP COc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@H]2CCC[N@H+]2C(C)C)cc1C ZINC001662219695 1354764555 /nfs/dbraw/zinc/76/45/55/1354764555.db2.gz NAFDPSWRSYDPTB-FUHWJXTLSA-N 2 1 347.503 2.471 10 10 EECEMP COc1ccc(C[NH2+][C@H](C)CNC(=O)[C@H]2CCC[N@H+]2C(C)C)cc1C ZINC001662219696 1354764654 /nfs/dbraw/zinc/76/46/54/1354764654.db2.gz NAFDPSWRSYDPTB-SJLPKXTDSA-N 2 1 347.503 2.471 10 10 EECEMP COc1ccc(C[NH2+]C[C@@H](C)NC(=O)CC[C@@H]2CCC[N@H+]2C)cc1C ZINC001568997600 1125029692 /nfs/dbraw/zinc/02/96/92/1125029692.db2.gz GYIZKMGYXYPAFE-AEFFLSMTSA-N 2 1 347.503 2.472 10 10 EECEMP CCOc1cccc(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)c1O ZINC000093147334 237049378 /nfs/dbraw/zinc/04/93/78/237049378.db2.gz MJUMUUNQTQFVKX-GOSISDBHSA-N 2 1 347.503 2.393 10 10 EECEMP CCOc1cccc(C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c1O ZINC000093147334 237049387 /nfs/dbraw/zinc/04/93/87/237049387.db2.gz MJUMUUNQTQFVKX-GOSISDBHSA-N 2 1 347.503 2.393 10 10 EECEMP COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)cc1C ZINC001277988804 1305610585 /nfs/dbraw/zinc/61/05/85/1305610585.db2.gz UBQIHVNKYVVRKW-WMZOPIPTSA-N 2 1 347.503 2.282 10 10 EECEMP Fc1cc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)ccc1N1CCOCC1 ZINC000843122891 1315848010 /nfs/dbraw/zinc/84/80/10/1315848010.db2.gz FSSJAIVNRKRVOL-LJQANCHMSA-N 2 1 333.451 2.238 10 10 EECEMP Fc1cc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)ccc1N1CCOCC1 ZINC000843122891 1315848014 /nfs/dbraw/zinc/84/80/14/1315848014.db2.gz FSSJAIVNRKRVOL-LJQANCHMSA-N 2 1 333.451 2.238 10 10 EECEMP COc1ccc(C[NH2+][C@H](C)CCNC(=O)C[C@H]2CC[N@@H+](C)C2)cc1C ZINC001492110562 1330479329 /nfs/dbraw/zinc/47/93/29/1330479329.db2.gz KEKXGVOCZICIHP-SJLPKXTDSA-N 2 1 347.503 2.330 10 10 EECEMP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CO[C@@H](C4CC4)C3)cc2F)CC1 ZINC001329174034 1334600932 /nfs/dbraw/zinc/60/09/32/1334600932.db2.gz RQLMYVQDMJVOTN-QFBILLFUSA-N 2 1 333.451 2.235 10 10 EECEMP COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1C ZINC001331456625 1335016863 /nfs/dbraw/zinc/01/68/63/1335016863.db2.gz VHFSGSXRVKBDDL-LZLYRXPVSA-N 2 1 347.503 2.280 10 10 EECEMP COc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)Cn2cc[nH+]c2C)cc1C ZINC001485223781 1191702938 /nfs/dbraw/zinc/70/29/38/1191702938.db2.gz BORGLJOZBIASRS-LSDHHAIUSA-N 2 1 344.459 2.192 10 10 EECEMP C[NH+]1CCN(c2ccc(C[NH2+][C@]34C[C@H]3COC4(C)C)cc2F)CC1 ZINC001118860386 1308952718 /nfs/dbraw/zinc/95/27/18/1308952718.db2.gz NHBLCQBJTBCGRT-HNAYVOBHSA-N 2 1 333.451 2.235 10 10 EECEMP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[NH2+]Cc2ccc(OC)c(C)c2)CC[N@H+]1C ZINC001265777282 1323375905 /nfs/dbraw/zinc/37/59/05/1323375905.db2.gz JXRZZTQCAYEXAY-RYQLBKOJSA-N 2 1 347.503 2.328 10 10 EECEMP COc1ccc(C[NH2+]CCC[C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)cc1C ZINC001676017639 1357088810 /nfs/dbraw/zinc/08/88/10/1357088810.db2.gz AADDXKLYACQALB-SJLPKXTDSA-N 2 1 347.503 2.330 10 10 EECEMP COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)[C@@H]2CCCC[N@H+]2C)cc1C ZINC001482862681 1187775852 /nfs/dbraw/zinc/77/58/52/1187775852.db2.gz BCNUQIOETILCNS-AEFFLSMTSA-N 2 1 347.503 2.472 10 10 EECEMP COc1ccc(C[NH2+]CCC[C@@H](C)NC(=O)[C@H]2CCC[N@H+]2C)cc1C ZINC001330883220 1334920661 /nfs/dbraw/zinc/92/06/61/1334920661.db2.gz NGFOGBHZZOWUGQ-SJLPKXTDSA-N 2 1 347.503 2.472 10 10 EECEMP CCC[N@@H+](C)CC(=O)N(C)C1CC([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001279316103 1323871737 /nfs/dbraw/zinc/87/17/37/1323871737.db2.gz XRWANNHORNUVNW-UHFFFAOYSA-N 2 1 347.503 2.424 10 10 EECEMP COc1ccc(C[NH2+]CC[C@H](C)NC(=O)[C@@H]2CCCC[N@H+]2C)cc1C ZINC001482862682 1187776294 /nfs/dbraw/zinc/77/62/94/1187776294.db2.gz BCNUQIOETILCNS-WMZOPIPTSA-N 2 1 347.503 2.472 10 10 EECEMP COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)[C@H]2CCCC[N@H+]2C)cc1C ZINC001571392715 1343202578 /nfs/dbraw/zinc/20/25/78/1343202578.db2.gz CGSBPBQBHBRWGH-FUHWJXTLSA-N 2 1 347.503 2.424 10 10 EECEMP COc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@H]2CCCC[N@H+]2C)cc1C ZINC001662263628 1354771033 /nfs/dbraw/zinc/77/10/33/1354771033.db2.gz VGGRYYLVZCCWIC-DOTOQJQBSA-N 2 1 333.476 2.082 10 10 EECEMP COc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)Cn2c[nH+]cc2C)cc1C ZINC001674700515 1356878841 /nfs/dbraw/zinc/87/88/41/1356878841.db2.gz MLCNBQRDRPISRJ-CVEARBPZSA-N 2 1 344.459 2.192 10 10 EECEMP CC[N@H+](Cc1ccc(N(C)C)cc1)C[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903872489 1242257079 /nfs/dbraw/zinc/25/70/79/1242257079.db2.gz FLUKEUSAGQSWII-SFHVURJKSA-N 2 1 343.519 2.434 10 10 EECEMP COc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@H]2CCCC[N@H+]2C)cc1C ZINC001669595662 1356180366 /nfs/dbraw/zinc/18/03/66/1356180366.db2.gz NZKWQGFUQINDKW-DOTOQJQBSA-N 2 1 333.476 2.082 10 10 EECEMP COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)C[N@H+]2CC[C@@H](C)C2)cc1C ZINC001331562231 1335037085 /nfs/dbraw/zinc/03/70/85/1335037085.db2.gz XIAOUYXPSHDOIT-WBVHZDCISA-N 2 1 347.503 2.282 10 10 EECEMP COc1ccc(C[NH2+]CCCN(C)C(=O)C[N@H+]2CC[C@@H](C)C2)cc1C ZINC001498614077 1107813335 /nfs/dbraw/zinc/81/33/35/1107813335.db2.gz VWXCMNOJJGOCJE-MRXNPFEDSA-N 2 1 347.503 2.284 10 10 EECEMP Cc1n[nH]cc1C[NH2+][C@H](C)c1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC000071825360 203121181 /nfs/dbraw/zinc/12/11/81/203121181.db2.gz AEHQLHQKOPFBDA-CYBMUJFWSA-N 2 1 331.439 2.460 10 10 EECEMP CN(C)c1ccc(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cc1F ZINC000841088011 1315471436 /nfs/dbraw/zinc/47/14/36/1315471436.db2.gz UVEPFPHKNNUPSF-UHFFFAOYSA-N 2 1 334.483 2.198 10 10 EECEMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001321864929 1333170296 /nfs/dbraw/zinc/17/02/96/1333170296.db2.gz BDGAKMBSIAFZMU-WMZOPIPTSA-N 2 1 347.503 2.472 10 10 EECEMP COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)C[N@H+]2CC[C@H](C)C2)cc1C ZINC001331562228 1335037067 /nfs/dbraw/zinc/03/70/67/1335037067.db2.gz XIAOUYXPSHDOIT-RDJZCZTQSA-N 2 1 347.503 2.282 10 10 EECEMP COc1ccc(C[NH2+][C@@H](C)CCNC(=O)C[N@H+]2CC[C@@H](C)C2)cc1C ZINC001567230526 1342713302 /nfs/dbraw/zinc/71/33/02/1342713302.db2.gz KFJBUFHPBVHXJN-WBVHZDCISA-N 2 1 347.503 2.330 10 10 EECEMP C[N@H+]1CCC[C@H](N2CC[NH+](Cc3cc4c(cc3O)CCC4)CC2)C1 ZINC000738211885 578003964 /nfs/dbraw/zinc/00/39/64/578003964.db2.gz GJRYNIISLNSVSA-IBGZPJMESA-N 2 1 329.488 2.093 10 10 EECEMP Cn1ccc(C[NH2+]Cc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)n1 ZINC000768670043 577560608 /nfs/dbraw/zinc/56/06/08/577560608.db2.gz LHORBRFIUBPUHU-UHFFFAOYSA-N 2 1 339.487 2.242 10 10 EECEMP COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)Cn2cc[nH+]c2C)cc1C ZINC001698859653 1405116003 /nfs/dbraw/zinc/11/60/03/1405116003.db2.gz JPDDSWNTNABRND-OAHLLOKOSA-N 2 1 344.459 2.145 10 10 EECEMP COc1ccc(C[NH2+]C/C=C\CNC(=O)C[N@H+]2CC[C@@H](C)C2)cc1C ZINC001483061044 1188361151 /nfs/dbraw/zinc/36/11/51/1188361151.db2.gz RNGPSFFQAJBHDE-YIEVGGLXSA-N 2 1 345.487 2.107 10 10 EECEMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3ccc4c(c3)CCO4)cc2)C1 ZINC000850357412 1277196223 /nfs/dbraw/zinc/19/62/23/1277196223.db2.gz IWIVJFPEYLEUAD-HXUWFJFHSA-N 2 1 338.451 2.478 10 10 EECEMP Fc1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)ccc1N1CCOCC1 ZINC000843117646 1315846704 /nfs/dbraw/zinc/84/67/04/1315846704.db2.gz RQSIOUVPIZRBNT-IBGZPJMESA-N 2 1 333.451 2.238 10 10 EECEMP Fc1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)ccc1N1CCOCC1 ZINC000843117646 1315846708 /nfs/dbraw/zinc/84/67/08/1315846708.db2.gz RQSIOUVPIZRBNT-IBGZPJMESA-N 2 1 333.451 2.238 10 10 EECEMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001567022913 1342681474 /nfs/dbraw/zinc/68/14/74/1342681474.db2.gz WDHAQCBPGZVBDB-AEFFLSMTSA-N 2 1 347.503 2.472 10 10 EECEMP COc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)Cn2c[nH+]cc2C)cc1C ZINC001674700526 1356878992 /nfs/dbraw/zinc/87/89/92/1356878992.db2.gz MLCNBQRDRPISRJ-HZPDHXFCSA-N 2 1 344.459 2.192 10 10 EECEMP CC[C@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001267819646 1180579167 /nfs/dbraw/zinc/57/91/67/1180579167.db2.gz HAPVTZAKESQIFL-CRAIPNDOSA-N 2 1 347.503 2.330 10 10 EECEMP COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)C[N@@H+](C)C(C)C)C2)cc1C ZINC001480174391 1099754951 /nfs/dbraw/zinc/75/49/51/1099754951.db2.gz UOXHIFSFOUKPQW-QAQDUYKDSA-N 2 1 333.476 2.081 10 10 EECEMP CCC[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1ccccc1O ZINC000729474690 576656351 /nfs/dbraw/zinc/65/63/51/576656351.db2.gz JPPXIWPRKUMRNK-UHFFFAOYSA-N 2 1 345.487 2.347 10 10 EECEMP COc1ccc(C[NH2+][C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C(C)C)cc1C ZINC001268227121 1182043150 /nfs/dbraw/zinc/04/31/50/1182043150.db2.gz QBIQAHAHZCVOKZ-ROUUACIJSA-N 2 1 347.503 2.186 10 10 EECEMP COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)C[N@@H+](C)C2CCC2)cc1C ZINC001507089331 1115102291 /nfs/dbraw/zinc/10/22/91/1115102291.db2.gz MJIFOVNDYLHDDL-INIZCTEOSA-N 2 1 347.503 2.424 10 10 EECEMP C[N@@H+]1CCN(CC[NH2+]Cc2cc(Cl)c(F)cc2O)CC1(C)C ZINC000294718486 464584493 /nfs/dbraw/zinc/58/44/93/464584493.db2.gz PGKXIYROMLGRFY-UHFFFAOYSA-N 2 1 329.847 2.300 10 10 EECEMP C[N@H+]1CCN(CC[NH2+]Cc2cc(Cl)c(F)cc2O)CC1(C)C ZINC000294718486 464584499 /nfs/dbraw/zinc/58/44/99/464584499.db2.gz PGKXIYROMLGRFY-UHFFFAOYSA-N 2 1 329.847 2.300 10 10 EECEMP Cc1cc(O)c(C[N@@H+](C)CCCN2CC[NH+](C)CC2)c(Cl)c1 ZINC000840949444 1315444032 /nfs/dbraw/zinc/44/40/32/1315444032.db2.gz XNQZZFIBGWEAQH-UHFFFAOYSA-N 2 1 325.884 2.423 10 10 EECEMP Cc1cc(O)c(C[N@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)c(Cl)c1 ZINC000841100098 1315475997 /nfs/dbraw/zinc/47/59/97/1315475997.db2.gz UOZNXUCZRUYEEM-ZDUSSCGKSA-N 2 1 335.839 2.241 10 10 EECEMP CN(C)c1ccc(CNC(=O)C[N@@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)cc1 ZINC000866705592 1201585469 /nfs/dbraw/zinc/58/54/69/1201585469.db2.gz CZUDAXGEQSTNNZ-HXUWFJFHSA-N 2 1 346.519 2.066 10 10 EECEMP CN(C)c1ccc(CNC(=O)C[N@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)cc1 ZINC000866705592 1201585471 /nfs/dbraw/zinc/58/54/71/1201585471.db2.gz CZUDAXGEQSTNNZ-HXUWFJFHSA-N 2 1 346.519 2.066 10 10 EECEMP CCOc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)c(O)c1 ZINC000903980501 1242847249 /nfs/dbraw/zinc/84/72/49/1242847249.db2.gz SYOAKBUBEWUFKP-HDICACEKSA-N 2 1 345.487 2.192 10 10 EECEMP CCOc1ccc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)c(O)c1 ZINC000903980501 1242847256 /nfs/dbraw/zinc/84/72/56/1242847256.db2.gz SYOAKBUBEWUFKP-HDICACEKSA-N 2 1 345.487 2.192 10 10 EECEMP CCOc1ccc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)c(O)c1 ZINC000903980501 1242847265 /nfs/dbraw/zinc/84/72/65/1242847265.db2.gz SYOAKBUBEWUFKP-HDICACEKSA-N 2 1 345.487 2.192 10 10 EECEMP C[NH+]1CCN(c2ccc(C[N@H+]3CCO[C@H](C(F)F)CC3)cc2)CC1 ZINC000872256878 1198115690 /nfs/dbraw/zinc/11/56/90/1198115690.db2.gz DREGJKVXLPELQB-KRWDZBQOSA-N 2 1 339.430 2.294 10 10 EECEMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000924760096 1206028124 /nfs/dbraw/zinc/02/81/24/1206028124.db2.gz OEXIUXQGQKQLMH-NYTJIUQPSA-N 2 1 347.478 2.217 10 10 EECEMP COc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)cc1C ZINC001669321092 1356145034 /nfs/dbraw/zinc/14/50/34/1356145034.db2.gz XMQTYGTWPWPWGK-FVQBIDKESA-N 2 1 342.443 2.125 10 10 EECEMP CN(C)c1ccc(C[N@@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)cc1 ZINC000193438738 529780563 /nfs/dbraw/zinc/78/05/63/529780563.db2.gz PNRSRNBZYXLKEW-FQEVSTJZSA-N 2 1 330.520 2.355 10 10 EECEMP CN(C)c1ccc(C[N@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)cc1 ZINC000193438738 529780565 /nfs/dbraw/zinc/78/05/65/529780565.db2.gz PNRSRNBZYXLKEW-FQEVSTJZSA-N 2 1 330.520 2.355 10 10 EECEMP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)CCN1C ZINC000775717896 577443598 /nfs/dbraw/zinc/44/35/98/577443598.db2.gz UGWHBBMBZTUQDE-FXAWDEMLSA-N 2 1 330.520 2.353 10 10 EECEMP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000817917539 785068528 /nfs/dbraw/zinc/06/85/28/785068528.db2.gz RIGUKLZPOWWTLQ-VQTJNVASSA-N 3 1 328.504 2.188 10 10 EECEMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H]4COCC[C@@H]43)cc2)CC1 ZINC000775736023 577444238 /nfs/dbraw/zinc/44/42/38/577444238.db2.gz JJDSNXLMQFJXLD-QUCCMNQESA-N 2 1 329.488 2.439 10 10 EECEMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000924760590 1206028214 /nfs/dbraw/zinc/02/82/14/1206028214.db2.gz QDRXNZWRWWYRCH-PMSBKCLSSA-N 2 1 343.515 2.325 10 10 EECEMP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H](C)c2ccc(F)cc2O)CC1 ZINC000854232234 1292682027 /nfs/dbraw/zinc/68/20/27/1292682027.db2.gz RJMNKIZAIZSBAE-ZDUSSCGKSA-N 2 1 337.439 2.173 10 10 EECEMP COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)cc1C ZINC001277988800 1305610169 /nfs/dbraw/zinc/61/01/69/1305610169.db2.gz UBQIHVNKYVVRKW-AEFFLSMTSA-N 2 1 347.503 2.282 10 10 EECEMP C[NH+]1CCN(c2ccc(C[N@@H+]3C[C@H]4CCC[C@@H](C3)C4O)cc2)CC1 ZINC001319813629 1332774214 /nfs/dbraw/zinc/77/42/14/1332774214.db2.gz FWCMZLWOSKNCBV-UFRUDQCGSA-N 2 1 329.488 2.031 10 10 EECEMP COc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1C ZINC001669648443 1356189429 /nfs/dbraw/zinc/18/94/29/1356189429.db2.gz CFRUMVITQPXEEP-BQFCYCMXSA-N 2 1 347.503 2.328 10 10 EECEMP CCOC(=O)C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C1CCC1 ZINC000768531109 577557880 /nfs/dbraw/zinc/55/78/80/577557880.db2.gz UEZNRWJBKODHLT-UHFFFAOYSA-N 2 1 345.487 2.356 10 10 EECEMP CCOC(=O)C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C1CCC1 ZINC000768531109 577557881 /nfs/dbraw/zinc/55/78/81/577557881.db2.gz UEZNRWJBKODHLT-UHFFFAOYSA-N 2 1 345.487 2.356 10 10 EECEMP C[NH+]1CCN(c2ccc(C[N@H+]3CCO[C@@H](C(F)F)CC3)cc2)CC1 ZINC000872256879 1198114833 /nfs/dbraw/zinc/11/48/33/1198114833.db2.gz DREGJKVXLPELQB-QGZVFWFLSA-N 2 1 339.430 2.294 10 10 EECEMP CC[C@@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(F)cc1O ZINC000925850738 1206160413 /nfs/dbraw/zinc/16/04/13/1206160413.db2.gz PTJZUPCPCBELIY-DZGCQCFKSA-N 2 1 336.407 2.257 10 10 EECEMP c1cncc(C[NH2+]CCC[NH2+]Cc2ccc(N3CCOCC3)cc2)c1 ZINC000841041115 1315461264 /nfs/dbraw/zinc/46/12/64/1315461264.db2.gz DLQZIPFWUKYJRA-UHFFFAOYSA-N 2 1 340.471 2.188 10 10 EECEMP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CO[C@H](C4CC4)C3)cc2F)CC1 ZINC001329174033 1334600791 /nfs/dbraw/zinc/60/07/91/1334600791.db2.gz RQLMYVQDMJVOTN-LPHOPBHVSA-N 2 1 333.451 2.235 10 10 EECEMP COc1ccc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)cc1C ZINC001662219694 1354764800 /nfs/dbraw/zinc/76/48/00/1354764800.db2.gz NAFDPSWRSYDPTB-AEFFLSMTSA-N 2 1 347.503 2.471 10 10 EECEMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000817917537 785069095 /nfs/dbraw/zinc/06/90/95/785069095.db2.gz RIGUKLZPOWWTLQ-UXHICEINSA-N 3 1 328.504 2.188 10 10 EECEMP COc1ccc(C[NH2+][C@H]2CCN(C(=O)C[N@@H+](C)C(C)C)C2)cc1C ZINC001266569931 1176863774 /nfs/dbraw/zinc/86/37/74/1176863774.db2.gz RFAIOFMOIJZYLN-KRWDZBQOSA-N 2 1 333.476 2.034 10 10 EECEMP C[NH+]1CCN(c2ccc(C[N@H+]3CCCC[C@@]4(CC[NH2+]C4)C3)cc2)CC1 ZINC000903959903 1242732857 /nfs/dbraw/zinc/73/28/57/1242732857.db2.gz RNWDSIQJNZOSHG-NRFANRHFSA-N 3 1 342.531 2.404 10 10 EECEMP CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NCC[NH+](C)C)C1 ZINC000436459979 467536988 /nfs/dbraw/zinc/53/69/88/467536988.db2.gz MLDSWQUHDBOGQW-UHFFFAOYSA-N 2 1 342.487 2.086 10 10 EECEMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001267379787 1178928095 /nfs/dbraw/zinc/92/80/95/1178928095.db2.gz LOGCNEHKDBOCEV-GOSISDBHSA-N 2 1 347.503 2.426 10 10 EECEMP C[NH+]1CCN(c2ccc(CN[C@@H]3[C@@H]4CCC[NH2+][C@@H]4C3(C)C)cc2)CC1 ZINC000925762786 1206151573 /nfs/dbraw/zinc/15/15/73/1206151573.db2.gz ODJDOOJVSJKNOG-HSALFYBXSA-N 2 1 342.531 2.305 10 10 EECEMP c1cc(N2CCOCC2)ccc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000843045763 1315827978 /nfs/dbraw/zinc/82/79/78/1315827978.db2.gz VUJVSUZWXBIBCY-UYAOXDASSA-N 2 1 329.488 2.487 10 10 EECEMP C[NH+]1CCN(c2ccc(C[N@H+]3CCO[C@@]4(CCSC4)C3)cc2)CC1 ZINC000843417562 1315911470 /nfs/dbraw/zinc/91/14/70/1315911470.db2.gz IKTBNGRQLGAACW-IBGZPJMESA-N 2 1 347.528 2.146 10 10 EECEMP COc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)C[N@@H+](C)C(C)C)C2)cc1C ZINC001691758024 1357584637 /nfs/dbraw/zinc/58/46/37/1357584637.db2.gz PYVFNJKTWVVTLI-HDICACEKSA-N 2 1 347.503 2.328 10 10 EECEMP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000817917536 785068931 /nfs/dbraw/zinc/06/89/31/785068931.db2.gz RIGUKLZPOWWTLQ-PMACEKPBSA-N 3 1 328.504 2.188 10 10 EECEMP CC(C)OC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775709515 577443343 /nfs/dbraw/zinc/44/33/43/577443343.db2.gz HUGPCFKEUXLJQN-IBGZPJMESA-N 2 1 345.487 2.354 10 10 EECEMP CC(C)OC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775709515 577443344 /nfs/dbraw/zinc/44/33/44/577443344.db2.gz HUGPCFKEUXLJQN-IBGZPJMESA-N 2 1 345.487 2.354 10 10 EECEMP CC[C@@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001267819648 1180579590 /nfs/dbraw/zinc/57/95/90/1180579590.db2.gz HAPVTZAKESQIFL-QAPCUYQASA-N 2 1 347.503 2.330 10 10 EECEMP CN1CCN(c2ccc(C[NH2+][C@@H]3C[C@H]([NH3+])CC(C)(C)C3)cc2)CC1 ZINC000925763705 1206151726 /nfs/dbraw/zinc/15/17/26/1206151726.db2.gz SYNZXKGWTKNJJD-ZWKOTPCHSA-N 2 1 330.520 2.434 10 10 EECEMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3ccc4c(c3)CCO4)cc2)C1 ZINC000850357411 1277196031 /nfs/dbraw/zinc/19/60/31/1277196031.db2.gz IWIVJFPEYLEUAD-FQEVSTJZSA-N 2 1 338.451 2.478 10 10 EECEMP C[NH2+]Cc1ccccc1C[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000844904179 789445408 /nfs/dbraw/zinc/44/54/08/789445408.db2.gz CMFABEAGMPRNSE-UHFFFAOYSA-N 2 1 331.372 2.318 10 10 EECEMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001265942160 1323504952 /nfs/dbraw/zinc/50/49/52/1323504952.db2.gz XAUJYOIUKPQLET-SFHVURJKSA-N 2 1 347.503 2.426 10 10 EECEMP COc1ccc(C[NH2+]CCN(C)C(=O)CC[C@H]2CCC[N@H+]2C)cc1C ZINC001663992981 1355069801 /nfs/dbraw/zinc/06/98/01/1355069801.db2.gz QPIQZEYOUMZCJF-GOSISDBHSA-N 2 1 347.503 2.426 10 10 EECEMP CCOc1cccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)c1O ZINC000903980041 1242840878 /nfs/dbraw/zinc/84/08/78/1242840878.db2.gz DRLHTODNNYBGHP-HDICACEKSA-N 2 1 345.487 2.192 10 10 EECEMP CCOc1cccc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)c1O ZINC000903980041 1242840891 /nfs/dbraw/zinc/84/08/91/1242840891.db2.gz DRLHTODNNYBGHP-HDICACEKSA-N 2 1 345.487 2.192 10 10 EECEMP CCOc1cccc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)c1O ZINC000903980041 1242840900 /nfs/dbraw/zinc/84/09/00/1242840900.db2.gz DRLHTODNNYBGHP-HDICACEKSA-N 2 1 345.487 2.192 10 10 EECEMP C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001118806244 1308943959 /nfs/dbraw/zinc/94/39/59/1308943959.db2.gz RIMBLDIGUCSEOS-GJRWTSMGSA-N 2 1 335.467 2.479 10 10 EECEMP COc1cccc(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)c1O ZINC000093147799 533481797 /nfs/dbraw/zinc/48/17/97/533481797.db2.gz UYKFKPWWKAVVPR-QGZVFWFLSA-N 2 1 333.476 2.003 10 10 EECEMP COc1cccc(C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c1O ZINC000093147799 533481801 /nfs/dbraw/zinc/48/18/01/533481801.db2.gz UYKFKPWWKAVVPR-QGZVFWFLSA-N 2 1 333.476 2.003 10 10 EECEMP COc1ccc(C[NH2+]C2(CNC(=O)[C@H]3CCCC[N@H+]3C)CC2)cc1C ZINC001483745433 1190897921 /nfs/dbraw/zinc/89/79/21/1190897921.db2.gz DIMAXFWDUGBRQI-QGZVFWFLSA-N 2 1 345.487 2.226 10 10 EECEMP COC(=O)[C@H](CC(C)C)[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000814178751 1199327811 /nfs/dbraw/zinc/32/78/11/1199327811.db2.gz BWKAWXKMEYPQSO-IBGZPJMESA-N 2 1 347.503 2.458 10 10 EECEMP COC(=O)[C@H](CC(C)C)[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000814178751 1199327815 /nfs/dbraw/zinc/32/78/15/1199327815.db2.gz BWKAWXKMEYPQSO-IBGZPJMESA-N 2 1 347.503 2.458 10 10 EECEMP CCC[N@H+](Cc1ccccc1O)C[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903889635 1242344325 /nfs/dbraw/zinc/34/43/25/1242344325.db2.gz UQWXQWQNEOGCJE-MRXNPFEDSA-N 2 1 330.476 2.464 10 10 EECEMP c1cc(N2CCOCC2)ccc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000843045591 1315828480 /nfs/dbraw/zinc/82/84/80/1315828480.db2.gz VUJVSUZWXBIBCY-ICSRJNTNSA-N 2 1 329.488 2.487 10 10 EECEMP COc1ccc(C[NH2+]C[C@H](C)NC(=O)C[N@@H+](C)C2CCC2)cc1C ZINC001321875082 1333171900 /nfs/dbraw/zinc/17/19/00/1333171900.db2.gz DKMGXOFGSOBEIK-HNNXBMFYSA-N 2 1 333.476 2.082 10 10 EECEMP C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001118806245 1308944227 /nfs/dbraw/zinc/94/42/27/1308944227.db2.gz RIMBLDIGUCSEOS-NXEZDXNNSA-N 2 1 335.467 2.479 10 10 EECEMP CCCN(CCC)c1ccc(C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)cc1 ZINC000843047092 1315828887 /nfs/dbraw/zinc/82/88/87/1315828887.db2.gz NWQQXOGMKASSCU-UHFFFAOYSA-N 2 1 346.519 2.177 10 10 EECEMP COc1ccc(C[NH2+]CCC[C@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)cc1C ZINC001676017640 1357089205 /nfs/dbraw/zinc/08/92/05/1357089205.db2.gz AADDXKLYACQALB-WMZOPIPTSA-N 2 1 347.503 2.330 10 10 EECEMP COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]2CCCC[N@H+]2C)cc1C ZINC001507111713 1115114228 /nfs/dbraw/zinc/11/42/28/1115114228.db2.gz CGSBPBQBHBRWGH-WMZOPIPTSA-N 2 1 347.503 2.424 10 10 EECEMP Cc1ccc(O)c(C[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000093142938 534194604 /nfs/dbraw/zinc/19/46/04/534194604.db2.gz PGNAYUIOWZHYMW-UHFFFAOYSA-N 2 1 345.487 2.077 10 10 EECEMP CC[C@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(F)cc1O ZINC000925850740 1206160398 /nfs/dbraw/zinc/16/03/98/1206160398.db2.gz PTJZUPCPCBELIY-HIFRSBDPSA-N 2 1 336.407 2.257 10 10 EECEMP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C[NH2+]Cc2ccc(OC)c(C)c2)CC[N@H+]1C ZINC001669293034 1356141719 /nfs/dbraw/zinc/14/17/19/1356141719.db2.gz INFJGMJJCASJPZ-BPQIPLTHSA-N 2 1 347.503 2.328 10 10 EECEMP COc1cc(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)c(O)cc1C ZINC000768448686 577555876 /nfs/dbraw/zinc/55/58/76/577555876.db2.gz WGQKKQZSXSRVSA-SFHVURJKSA-N 2 1 347.503 2.311 10 10 EECEMP COc1cc(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)c(O)cc1C ZINC000768448686 577555877 /nfs/dbraw/zinc/55/58/77/577555877.db2.gz WGQKKQZSXSRVSA-SFHVURJKSA-N 2 1 347.503 2.311 10 10 EECEMP Cc1cc(Cl)cc(C[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])c1O ZINC000843122326 1315848703 /nfs/dbraw/zinc/84/87/03/1315848703.db2.gz QQUXSPVCODXJAL-HNNXBMFYSA-N 2 1 339.867 2.174 10 10 EECEMP CC[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001495035927 1104676362 /nfs/dbraw/zinc/67/63/62/1104676362.db2.gz DKXCYIRVWWPEOK-DLBZAZTESA-N 2 1 333.476 2.082 10 10 EECEMP Cc1ccc(O)c(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c1 ZINC000377717188 467124960 /nfs/dbraw/zinc/12/49/60/467124960.db2.gz NJWUNQRYBRKMGV-DFNIBXOVSA-N 2 1 329.488 2.443 10 10 EECEMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001267968378 1180871478 /nfs/dbraw/zinc/87/14/78/1180871478.db2.gz SDJPVWQOTFCJCU-GOSISDBHSA-N 2 1 347.503 2.426 10 10 EECEMP COc1c(O)c(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000841088477 1315472289 /nfs/dbraw/zinc/47/22/89/1315472289.db2.gz XIEPPSKARHPCOC-JSGCOSHPSA-N 2 1 335.404 2.273 10 10 EECEMP COc1c(O)c(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000841088477 1315472292 /nfs/dbraw/zinc/47/22/92/1315472292.db2.gz XIEPPSKARHPCOC-JSGCOSHPSA-N 2 1 335.404 2.273 10 10 EECEMP Cc1cc(Cl)cc(C[N@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)c1O ZINC000841099878 1315474821 /nfs/dbraw/zinc/47/48/21/1315474821.db2.gz PWMOVWZPRUFRMB-HNNXBMFYSA-N 2 1 335.839 2.241 10 10 EECEMP COc1ccc(C[NH2+]CC[C@H](C)NC(=O)[C@@H]2CCC[N@H+]2C)cc1C ZINC001482816167 1187749525 /nfs/dbraw/zinc/74/95/25/1187749525.db2.gz DLGMSYGCTDSPLT-RDJZCZTQSA-N 2 1 333.476 2.082 10 10 EECEMP COc1ccc(C[NH2+]C/C=C/CNC(=O)C[N@H+]2CC[C@H](C)C2)cc1C ZINC001483061041 1188360947 /nfs/dbraw/zinc/36/09/47/1188360947.db2.gz RNGPSFFQAJBHDE-APHBUQMISA-N 2 1 345.487 2.107 10 10 EECEMP Cc1cc(Cl)cc(C[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])c1O ZINC000843122328 1315848569 /nfs/dbraw/zinc/84/85/69/1315848569.db2.gz QQUXSPVCODXJAL-OAHLLOKOSA-N 2 1 339.867 2.174 10 10 EECEMP CCC[N@@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)Cc1ccccc1O ZINC000903889959 1242344512 /nfs/dbraw/zinc/34/45/12/1242344512.db2.gz WQMBAUVCAASKHN-INIZCTEOSA-N 2 1 329.448 2.320 10 10 EECEMP Cc1cc(O)c(C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)c(Cl)c1 ZINC000840942480 1315442404 /nfs/dbraw/zinc/44/24/04/1315442404.db2.gz UEQHOYNTFQBCFN-UHFFFAOYSA-N 2 1 325.884 2.470 10 10 EECEMP c1cc(N2CCOCC2)ccc1C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000841088242 1315472407 /nfs/dbraw/zinc/47/24/07/1315472407.db2.gz TYMOTOAZBMJXEQ-ICSRJNTNSA-N 2 1 329.488 2.487 10 10 EECEMP c1cc(N2CCOCC2)ccc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000843045590 1315828295 /nfs/dbraw/zinc/82/82/95/1315828295.db2.gz VUJVSUZWXBIBCY-AZUAARDMSA-N 2 1 329.488 2.487 10 10 EECEMP CC[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)[C@H](O)C(F)F ZINC001324662613 1333733953 /nfs/dbraw/zinc/73/39/53/1333733953.db2.gz MMCJYGYWGXMCCE-ZBFHGGJFSA-N 2 1 345.409 2.072 10 10 EECEMP COC1CC(CC[NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001327576155 1334317532 /nfs/dbraw/zinc/31/75/32/1334317532.db2.gz DCLDVYAVXNCQFB-UHFFFAOYSA-N 2 1 335.467 2.482 10 10 EECEMP CC[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001327953103 1334369239 /nfs/dbraw/zinc/36/92/39/1334369239.db2.gz UFXNDVAMIOQCIM-SJLPKXTDSA-N 2 1 335.467 2.170 10 10 EECEMP CC[C@@H]1[C@@H](CO)CC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001327953103 1334369242 /nfs/dbraw/zinc/36/92/42/1334369242.db2.gz UFXNDVAMIOQCIM-SJLPKXTDSA-N 2 1 335.467 2.170 10 10 EECEMP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3[C@H]4C[C@H]5CO[C@H]3[C@H]5C4)cc2F)CC1 ZINC001329293876 1334621650 /nfs/dbraw/zinc/62/16/50/1334621650.db2.gz XADKUQLLBATLJT-DAELLWKTSA-N 2 1 345.462 2.091 10 10 EECEMP COc1ccc(C[NH2+]CCCN(C)C(=O)[C@@H]2CCC[N@H+]2C)cc1C ZINC001569188051 1125153571 /nfs/dbraw/zinc/15/35/71/1125153571.db2.gz BNOSHTGYMDTEIA-KRWDZBQOSA-N 2 1 333.476 2.036 10 10 EECEMP Fc1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)ccc1N1CCOCC1 ZINC000843117648 1315846686 /nfs/dbraw/zinc/84/66/86/1315846686.db2.gz RQSIOUVPIZRBNT-LJQANCHMSA-N 2 1 333.451 2.238 10 10 EECEMP Fc1cc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)ccc1N1CCOCC1 ZINC000843117648 1315846689 /nfs/dbraw/zinc/84/66/89/1315846689.db2.gz RQSIOUVPIZRBNT-LJQANCHMSA-N 2 1 333.451 2.238 10 10 EECEMP CC[C@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001267819647 1180579007 /nfs/dbraw/zinc/57/90/07/1180579007.db2.gz HAPVTZAKESQIFL-MAUKXSAKSA-N 2 1 347.503 2.330 10 10 EECEMP COc1c(O)c(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000841088476 1315472425 /nfs/dbraw/zinc/47/24/25/1315472425.db2.gz XIEPPSKARHPCOC-GXTWGEPZSA-N 2 1 335.404 2.273 10 10 EECEMP COc1c(O)c(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000841088476 1315472427 /nfs/dbraw/zinc/47/24/27/1315472427.db2.gz XIEPPSKARHPCOC-GXTWGEPZSA-N 2 1 335.404 2.273 10 10 EECEMP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3[C@@H]4OC[C@@H]5C[C@H]3C[C@@H]54)cc2F)CC1 ZINC001329293892 1334621657 /nfs/dbraw/zinc/62/16/57/1334621657.db2.gz XADKUQLLBATLJT-WKKSIBQESA-N 2 1 345.462 2.091 10 10 EECEMP COc1ccc(C[NH2+]C2(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)cc1C ZINC001699651199 1405430227 /nfs/dbraw/zinc/43/02/27/1405430227.db2.gz MSKZAWDUPWGFMK-NVXWUHKLSA-N 2 1 345.487 2.082 10 10 EECEMP CC(C)C[C@H]([NH2+][C@@H](C)c1ccc(F)cc1O)C(=O)NCC[NH+](C)C ZINC000756860349 577851806 /nfs/dbraw/zinc/85/18/06/577851806.db2.gz UMLASZHKLNXYIZ-BBRMVZONSA-N 2 1 339.455 2.274 10 10 EECEMP C[NH2+]CCOCC[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000863544048 690717079 /nfs/dbraw/zinc/71/70/79/690717079.db2.gz JNQWGUXLEBCFEN-VIFPVBQESA-N 2 1 335.217 2.180 10 10 EECEMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@]4(C3)CCC[NH2+]C4)cc2)CC1 ZINC000843118239 1315847449 /nfs/dbraw/zinc/84/74/49/1315847449.db2.gz DZTCCTVSWGOCRK-HXUWFJFHSA-N 3 1 328.504 2.014 10 10 EECEMP C[NH+]1CCN(c2ccc(CN3CC[C@]4(C3)CCC[NH2+]C4)cc2)CC1 ZINC000843118239 1315847452 /nfs/dbraw/zinc/84/74/52/1315847452.db2.gz DZTCCTVSWGOCRK-HXUWFJFHSA-N 2 1 328.504 2.014 10 10 EECEMP COc1ccc(C[NH2+]C2CC(N(C)C(=O)C[N@@H+](C)C(C)C)C2)cc1C ZINC001279328732 1323876156 /nfs/dbraw/zinc/87/61/56/1323876156.db2.gz KUIQAVSWMHXJKC-UHFFFAOYSA-N 2 1 347.503 2.423 10 10 EECEMP COc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)cc1C ZINC001662219697 1354764910 /nfs/dbraw/zinc/76/49/10/1354764910.db2.gz NAFDPSWRSYDPTB-WMZOPIPTSA-N 2 1 347.503 2.471 10 10 EECEMP Cc1c(C[C@H](C[NH3+])C[N@H+](C)Cc2ccc(N(C)C)cc2)cnn1C ZINC000903872741 1242258796 /nfs/dbraw/zinc/25/87/96/1242258796.db2.gz BELSMBQOSZSPIC-QGZVFWFLSA-N 2 1 329.492 2.044 10 10 EECEMP C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001118806247 1308944824 /nfs/dbraw/zinc/94/48/24/1308944824.db2.gz RIMBLDIGUCSEOS-ZTENYAIWSA-N 2 1 335.467 2.479 10 10 EECEMP COc1c(O)c(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000841088478 1315472353 /nfs/dbraw/zinc/47/23/53/1315472353.db2.gz XIEPPSKARHPCOC-OCCSQVGLSA-N 2 1 335.404 2.273 10 10 EECEMP COc1c(O)c(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000841088478 1315472354 /nfs/dbraw/zinc/47/23/54/1315472354.db2.gz XIEPPSKARHPCOC-OCCSQVGLSA-N 2 1 335.404 2.273 10 10 EECEMP COc1ccc(C[NH2+]C/C=C\CNC(=O)[C@@H]2CCCC[N@H+]2C)cc1C ZINC001668888282 1356036654 /nfs/dbraw/zinc/03/66/54/1356036654.db2.gz WBZFTTKUXASEJE-XFHJGTJQSA-N 2 1 345.487 2.250 10 10 EECEMP COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)C[N@H+]2CC[C@H](C)C2)cc1C ZINC001495741625 1101510871 /nfs/dbraw/zinc/51/08/71/1101510871.db2.gz BZNGTXWUNMBBEC-JKSUJKDBSA-N 2 1 347.503 2.187 10 10 EECEMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H]4COCC[C@H]43)cc2)CC1 ZINC000775736021 577444249 /nfs/dbraw/zinc/44/42/49/577444249.db2.gz JJDSNXLMQFJXLD-AZUAARDMSA-N 2 1 329.488 2.439 10 10 EECEMP COc1ccc(C[NH2+]C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C2CC2)cc1C ZINC001670454266 1176798341 /nfs/dbraw/zinc/79/83/41/1176798341.db2.gz AHMURZSVQVPPSQ-ROUUACIJSA-N 2 1 345.487 2.082 10 10 EECEMP COc1ccc(C[NH2+]C/C=C/CNC(=O)C[C@H]2CC[N@@H+](C)C2)cc1C ZINC001483082068 1188443242 /nfs/dbraw/zinc/44/32/42/1188443242.db2.gz JXINUNCBGMDMGC-SHCNBLLESA-N 2 1 345.487 2.107 10 10 EECEMP C[NH+]1CCN(c2ccc(C[N@H+]3C[C@H]4CCC[C@@H](C3)C4O)cc2F)CC1 ZINC001324745884 1333751150 /nfs/dbraw/zinc/75/11/50/1333751150.db2.gz GADQJPHLJQJIQH-XEWABKELSA-N 2 1 347.478 2.170 10 10 EECEMP C[NH+]1CCN(c2ccc(C[N@@H+]3C[C@H]4CCC[C@@H](C3)C4O)cc2F)CC1 ZINC001324745884 1333751153 /nfs/dbraw/zinc/75/11/53/1333751153.db2.gz GADQJPHLJQJIQH-XEWABKELSA-N 2 1 347.478 2.170 10 10 EECEMP COc1ccc(C[NH2+]CC[C@H](C)NC(=O)C[N@H+]2CC[C@H](C)C2)cc1C ZINC001273019446 1194326716 /nfs/dbraw/zinc/32/67/16/1194326716.db2.gz WHDCIHHUKRXCJE-RDJZCZTQSA-N 2 1 347.503 2.330 10 10 EECEMP C[NH+](C)CCC[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)CCO1 ZINC000827850731 1248826043 /nfs/dbraw/zinc/82/60/43/1248826043.db2.gz QMHVICLRSMKJNO-FQEVSTJZSA-N 2 1 347.503 2.066 10 10 EECEMP C[NH+](C)CCC[C@H]1C[N@@H+](Cc2ccc(N3CCOCC3)cc2)CCO1 ZINC000827850731 1248826057 /nfs/dbraw/zinc/82/60/57/1248826057.db2.gz QMHVICLRSMKJNO-FQEVSTJZSA-N 2 1 347.503 2.066 10 10 EECEMP COc1cccc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)c1O ZINC000850357758 1277197911 /nfs/dbraw/zinc/19/79/11/1277197911.db2.gz UNEZGGLBBXQQDD-SFHVURJKSA-N 2 1 342.439 2.257 10 10 EECEMP c1cc(N2CCOCC2)ccc1C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000841088241 1315472340 /nfs/dbraw/zinc/47/23/40/1315472340.db2.gz TYMOTOAZBMJXEQ-AZUAARDMSA-N 2 1 329.488 2.487 10 10 EECEMP CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001318524863 1332555736 /nfs/dbraw/zinc/55/57/36/1332555736.db2.gz QJKJEEMQFHIVFT-KBAYOESNSA-N 2 1 347.503 2.328 10 10 EECEMP COc1ccc(C[NH2+][C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C(C)C)cc1C ZINC001268227122 1182042447 /nfs/dbraw/zinc/04/24/47/1182042447.db2.gz QBIQAHAHZCVOKZ-ZWKOTPCHSA-N 2 1 347.503 2.186 10 10 EECEMP CCC[N@H+](Cc1ccccc1O)C[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903889634 1242344659 /nfs/dbraw/zinc/34/46/59/1242344659.db2.gz UQWXQWQNEOGCJE-INIZCTEOSA-N 2 1 330.476 2.464 10 10 EECEMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@](O)(C4CC4)C3)cc2)CC1 ZINC000827153095 1250273213 /nfs/dbraw/zinc/27/32/13/1250273213.db2.gz YITQYRZYTJQJCR-HXUWFJFHSA-N 2 1 329.488 2.175 10 10 EECEMP COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)[C@@H]2CCC[N@H+]2C)cc1C ZINC001283583627 1326145578 /nfs/dbraw/zinc/14/55/78/1326145578.db2.gz WCVHEGHMHCISHL-WBVHZDCISA-N 2 1 333.476 2.034 10 10 EECEMP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH2+]Cc2ccc(OC)c(C)c2)CC[N@H+]1C ZINC001317588886 1332311743 /nfs/dbraw/zinc/31/17/43/1332311743.db2.gz LSBQFSFMBDYAAK-ZWKOTPCHSA-N 2 1 347.503 2.282 10 10 EECEMP COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)Cn2cc[nH+]c2C)cc1C ZINC001320638753 1332926760 /nfs/dbraw/zinc/92/67/60/1332926760.db2.gz FNYAJCPVBSFMKA-OAHLLOKOSA-N 2 1 344.459 2.193 10 10 EECEMP Cc1c(C[C@@H](C[NH3+])C[N@H+](C)Cc2ccc(N(C)C)cc2)cnn1C ZINC000903872740 1242257891 /nfs/dbraw/zinc/25/78/91/1242257891.db2.gz BELSMBQOSZSPIC-KRWDZBQOSA-N 2 1 329.492 2.044 10 10 EECEMP CCOc1ccc(O)c(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)c1 ZINC000841086712 1315471551 /nfs/dbraw/zinc/47/15/51/1315471551.db2.gz DYEYOPRQKRYWJP-UHFFFAOYSA-N 2 1 333.476 2.097 10 10 EECEMP CN(C)c1ccc(/C=C\C[N@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)cc1 ZINC000841100576 1315475612 /nfs/dbraw/zinc/47/56/12/1315475612.db2.gz ZNJGELVCUANUKO-SIEMBAAWSA-N 2 1 340.475 2.153 10 10 EECEMP C[NH+]1CCN(c2ccc(C[N@H+]3CCO[C@]4(CCSC4)C3)cc2)CC1 ZINC000843417563 1315911312 /nfs/dbraw/zinc/91/13/12/1315911312.db2.gz IKTBNGRQLGAACW-LJQANCHMSA-N 2 1 347.528 2.146 10 10 EECEMP C[NH+]1CCN(c2ccc(CN3C[C@@]4(C)C[NH2+]C[C@@]4(C)C3)cc2F)CC1 ZINC001261836611 1322184085 /nfs/dbraw/zinc/18/40/85/1322184085.db2.gz HLCXKSAVLVMUGI-BGYRXZFFSA-N 2 1 346.494 2.009 10 10 EECEMP COc1ccc(C[NH2+][C@@H](C)CCNC(=O)Cn2c[nH+]cc2C)cc1C ZINC001484995924 1191607134 /nfs/dbraw/zinc/60/71/34/1191607134.db2.gz XVIQFMMMCTZAFE-HNNXBMFYSA-N 2 1 344.459 2.193 10 10 EECEMP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@](O)(C4CC4)C3)cc2F)CC1 ZINC001327960308 1334370986 /nfs/dbraw/zinc/37/09/86/1334370986.db2.gz QUOIHTNHAAEVAO-FQEVSTJZSA-N 2 1 347.478 2.314 10 10 EECEMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@](O)(C4CC4)C3)cc2F)CC1 ZINC001327960308 1334370990 /nfs/dbraw/zinc/37/09/90/1334370990.db2.gz QUOIHTNHAAEVAO-FQEVSTJZSA-N 2 1 347.478 2.314 10 10 EECEMP C[NH+]1CCN(c2ccc(C[NH2+][C@]34C[C@H]3COC43CCC3)cc2F)CC1 ZINC001354182843 1338443322 /nfs/dbraw/zinc/44/33/22/1338443322.db2.gz UVNWVONMDYPSAZ-OXJNMPFZSA-N 2 1 345.462 2.379 10 10 EECEMP CCOc1ccc(O)c(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000093148046 237046895 /nfs/dbraw/zinc/04/68/95/237046895.db2.gz HNJOODBQWJJYCY-SFHVURJKSA-N 2 1 347.503 2.393 10 10 EECEMP CCOc1ccc(O)c(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)c1 ZINC000093148046 237046898 /nfs/dbraw/zinc/04/68/98/237046898.db2.gz HNJOODBQWJJYCY-SFHVURJKSA-N 2 1 347.503 2.393 10 10 EECEMP c1cc(N2CCOCC2)ccc1C[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000903960051 1242733683 /nfs/dbraw/zinc/73/36/83/1242733683.db2.gz VWQKOTJKELTEJP-HXUWFJFHSA-N 2 1 329.488 2.489 10 10 EECEMP COc1ccc(C[NH2+]C[C@@H](C)NC(=O)CC[C@H]2CCC[N@H+]2C)cc1C ZINC001568997601 1125029257 /nfs/dbraw/zinc/02/92/57/1125029257.db2.gz GYIZKMGYXYPAFE-SJLPKXTDSA-N 2 1 347.503 2.472 10 10 EECEMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H]([C@H]4CCCO4)C3)cc2)CC1 ZINC000895845766 684746482 /nfs/dbraw/zinc/74/64/82/684746482.db2.gz IUCUMRLSZBJXCH-AZUAARDMSA-N 2 1 329.488 2.439 10 10 EECEMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@](O)(C4CC4)C3)cc2)CC1 ZINC000827153090 1250271062 /nfs/dbraw/zinc/27/10/62/1250271062.db2.gz YITQYRZYTJQJCR-FQEVSTJZSA-N 2 1 329.488 2.175 10 10 EECEMP C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001118806246 1308944011 /nfs/dbraw/zinc/94/40/11/1308944011.db2.gz RIMBLDIGUCSEOS-XTDOFWJNSA-N 2 1 335.467 2.479 10 10 EECEMP CN1CCN(c2ccc(C[N@@H+](C)C3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2F)CC1 ZINC001326222694 1334046652 /nfs/dbraw/zinc/04/66/52/1334046652.db2.gz QIOPZOWHLGOEST-JWTNVVGKSA-N 2 1 346.494 2.292 10 10 EECEMP C[C@@H]1CCNC[C@@H]1[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000817915919 785069173 /nfs/dbraw/zinc/06/91/73/785069173.db2.gz BIJWAKXZHUKSFG-UTKZUKDTSA-N 2 1 342.531 2.306 10 10 EECEMP COc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)Cn2cc[nH+]c2C)cc1C ZINC001485223778 1191702814 /nfs/dbraw/zinc/70/28/14/1191702814.db2.gz BORGLJOZBIASRS-CABCVRRESA-N 2 1 344.459 2.192 10 10 EECEMP CC[C@@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(F)cc1O ZINC000925850742 1206160492 /nfs/dbraw/zinc/16/04/92/1206160492.db2.gz PTJZUPCPCBELIY-UKRRQHHQSA-N 2 1 336.407 2.257 10 10 EECEMP C[NH+]1C[C@@]2(C)C[NH+](Cc3ccc(N4CCOCC4)cc3)C[C@]2(C)C1 ZINC000931315836 1297134124 /nfs/dbraw/zinc/13/41/24/1297134124.db2.gz BZHYAFVIIOOUTC-PMACEKPBSA-N 2 1 329.488 2.297 10 10 EECEMP CCOc1cccc(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)c1O ZINC000841087096 1315471710 /nfs/dbraw/zinc/47/17/10/1315471710.db2.gz JDVGMFHEYXKZBT-UHFFFAOYSA-N 2 1 333.476 2.097 10 10 EECEMP Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)c1O ZINC000841099879 1315475037 /nfs/dbraw/zinc/47/50/37/1315475037.db2.gz PWMOVWZPRUFRMB-OAHLLOKOSA-N 2 1 335.839 2.241 10 10 EECEMP C[NH+]1CCN(c2ccc(C[N@@H+]3C[C@H]4COC[C@@]4(C)C3)cc2F)CC1 ZINC001261688883 1322154829 /nfs/dbraw/zinc/15/48/29/1322154829.db2.gz YIDCZJYWHJLRQL-QFBILLFUSA-N 2 1 333.451 2.046 10 10 EECEMP C[NH+]1CCN(c2ccc(C[N@H+]3C[C@H]4COC[C@@]4(C)C3)cc2F)CC1 ZINC001261688883 1322154835 /nfs/dbraw/zinc/15/48/35/1322154835.db2.gz YIDCZJYWHJLRQL-QFBILLFUSA-N 2 1 333.451 2.046 10 10 EECEMP C[NH+]1CCN(c2ccc(CN[C@H]3[C@@H]4CCC[NH2+][C@@H]4C3(C)C)cc2)CC1 ZINC000925762784 1206151535 /nfs/dbraw/zinc/15/15/35/1206151535.db2.gz ODJDOOJVSJKNOG-AABGKKOBSA-N 2 1 342.531 2.305 10 10 EECEMP Cc1cc(O)c(C[N@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)c(Cl)c1 ZINC000841100097 1315475586 /nfs/dbraw/zinc/47/55/86/1315475586.db2.gz UOZNXUCZRUYEEM-CYBMUJFWSA-N 2 1 335.839 2.241 10 10 EECEMP COc1ccc(C[NH2+][C@H](C)CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)cc1C ZINC001492110561 1330479577 /nfs/dbraw/zinc/47/95/77/1330479577.db2.gz KEKXGVOCZICIHP-AEFFLSMTSA-N 2 1 347.503 2.330 10 10 EECEMP COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)C[N@@H+](C)C3CCC3)C2)cc1C ZINC001317082914 1332072744 /nfs/dbraw/zinc/07/27/44/1332072744.db2.gz VSJZQHGJDISMKS-QAQDUYKDSA-N 2 1 345.487 2.225 10 10 EECEMP C[NH+]1CCN(c2ccc(C[NH2+]CC[C@H]3CCCOC3)cc2F)CC1 ZINC001351341228 1337810061 /nfs/dbraw/zinc/81/00/61/1337810061.db2.gz LAYFERWIIIUBCY-MRXNPFEDSA-N 2 1 335.467 2.484 10 10 EECEMP COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)C[N@@H+](C)C(C)C)cc1C ZINC001485960699 1193659890 /nfs/dbraw/zinc/65/98/90/1193659890.db2.gz KMAXZHLMYDULOQ-INIZCTEOSA-N 2 1 335.492 2.280 10 10 EECEMP COc1ccc(C[NH2+][C@@H](C)CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)cc1C ZINC001485001423 1191608234 /nfs/dbraw/zinc/60/82/34/1191608234.db2.gz KEKXGVOCZICIHP-WMZOPIPTSA-N 2 1 347.503 2.330 10 10 EECEMP COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)C[N@H+]2CC[C@H](C)C2)cc1C ZINC001273019443 1194326662 /nfs/dbraw/zinc/32/66/62/1194326662.db2.gz WHDCIHHUKRXCJE-DOTOQJQBSA-N 2 1 347.503 2.330 10 10 EECEMP CC(C)C[C@H](CO)[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001117596157 1306122811 /nfs/dbraw/zinc/12/28/11/1306122811.db2.gz WMNDVDAHICVEBX-QGZVFWFLSA-N 2 1 337.483 2.416 10 10 EECEMP CC(C)C[C@H](CO)[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001117596157 1306122816 /nfs/dbraw/zinc/12/28/16/1306122816.db2.gz WMNDVDAHICVEBX-QGZVFWFLSA-N 2 1 337.483 2.416 10 10 EECEMP COc1ccc(C[NH2+]C/C=C\CNC(=O)C[N@H+]2CC[C@H](C)C2)cc1C ZINC001483061042 1188361357 /nfs/dbraw/zinc/36/13/57/1188361357.db2.gz RNGPSFFQAJBHDE-AWFCHZOYSA-N 2 1 345.487 2.107 10 10 EECEMP CC[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)[C@H](O)C(F)F ZINC001324662612 1333733751 /nfs/dbraw/zinc/73/37/51/1333733751.db2.gz MMCJYGYWGXMCCE-HOCLYGCPSA-N 2 1 345.409 2.072 10 10 EECEMP CCO[C@@H]1C[N@H+](Cc2cc(Br)cc(C)c2O)C[C@H]1C[NH3+] ZINC000844903747 789444307 /nfs/dbraw/zinc/44/43/07/789444307.db2.gz MJNFYLUMXNQSJC-TZMCWYRMSA-N 2 1 343.265 2.259 10 10 EECEMP CCO[C@@H]1C[N@@H+](Cc2cc(Br)cc(C)c2O)C[C@H]1C[NH3+] ZINC000844903747 789444314 /nfs/dbraw/zinc/44/43/14/789444314.db2.gz MJNFYLUMXNQSJC-TZMCWYRMSA-N 2 1 343.265 2.259 10 10 EECEMP COc1cccc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c1O ZINC000377694991 467119333 /nfs/dbraw/zinc/11/93/33/467119333.db2.gz LJUWDZPWKLWCQF-JWTNVVGKSA-N 2 1 345.487 2.144 10 10 EECEMP COc1ccc(C[NH2+][C@@H](C)CCNC(=O)[C@H]2CCCC[N@H+]2C)cc1C ZINC001484994756 1191609800 /nfs/dbraw/zinc/60/98/00/1191609800.db2.gz YEFAQQMRBUNTEX-FUHWJXTLSA-N 2 1 347.503 2.472 10 10 EECEMP CN1CCN(c2ccc(C[NH2+][C@H]3C[C@H]([NH3+])CC(C)(C)C3)cc2)CC1 ZINC000925763701 1206151843 /nfs/dbraw/zinc/15/18/43/1206151843.db2.gz SYNZXKGWTKNJJD-ROUUACIJSA-N 2 1 330.520 2.434 10 10 EECEMP C[NH+]1CCN(c2ccc(C[N@H+]3CCO[C@@](C)(C4CC4)C3)cc2)CC1 ZINC000826877787 1248105752 /nfs/dbraw/zinc/10/57/52/1248105752.db2.gz MFAHQHXXTVNWMM-HXUWFJFHSA-N 2 1 329.488 2.439 10 10 EECEMP C[NH+]1CCN(c2ccc(C[NH+]3CC(C4CCOCC4)C3)cc2F)CC1 ZINC001321205391 1333044236 /nfs/dbraw/zinc/04/42/36/1333044236.db2.gz WWBPMNBAHWMBTB-UHFFFAOYSA-N 2 1 347.478 2.436 10 10 EECEMP C[NH+]1CCN(c2ccc(C[NH2+][C@H](c3ncccn3)C3CC3)cc2)CC1 ZINC000922579009 801362120 /nfs/dbraw/zinc/36/21/20/801362120.db2.gz OCEHGMIAGXHAJQ-IBGZPJMESA-N 2 1 337.471 2.469 10 10 EECEMP COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)C[N@@H+](C)C2CCC2)cc1C ZINC001568277897 1124400356 /nfs/dbraw/zinc/40/03/56/1124400356.db2.gz ISQUNLUCIPCQLQ-MRXNPFEDSA-N 2 1 347.503 2.424 10 10 EECEMP CN(C)c1ccc(/C=C\C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000843125478 1315849247 /nfs/dbraw/zinc/84/92/47/1315849247.db2.gz XJNSBLXIDAUGMT-JXCVUKRWSA-N 2 1 329.488 2.453 10 10 EECEMP CC[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)[C@@H](O)C(F)F ZINC001324662610 1333733848 /nfs/dbraw/zinc/73/38/48/1333733848.db2.gz MMCJYGYWGXMCCE-GOEBONIOSA-N 2 1 345.409 2.072 10 10 EECEMP CC[C@H]1[C@@H](CO)CC[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001327953098 1334369496 /nfs/dbraw/zinc/36/94/96/1334369496.db2.gz UFXNDVAMIOQCIM-AEFFLSMTSA-N 2 1 335.467 2.170 10 10 EECEMP CC[C@H]1[C@@H](CO)CC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001327953098 1334369498 /nfs/dbraw/zinc/36/94/98/1334369498.db2.gz UFXNDVAMIOQCIM-AEFFLSMTSA-N 2 1 335.467 2.170 10 10 EECEMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H]([C@@H]4CCCO4)C3)cc2)CC1 ZINC000895845768 684746401 /nfs/dbraw/zinc/74/64/01/684746401.db2.gz IUCUMRLSZBJXCH-QUCCMNQESA-N 2 1 329.488 2.439 10 10 EECEMP COC(=O)c1c(C[NH2+]CC2=CC[N@@H+](C)CC2)c2cc(F)ccc2n1C ZINC001332705876 1335886920 /nfs/dbraw/zinc/88/69/20/1335886920.db2.gz SKYJEJIQXDGCOF-UHFFFAOYSA-N 2 1 345.418 2.456 10 10 EECEMP COc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@@H]2CCC[N@H+]2C(C)C)cc1C ZINC001569056615 1125069142 /nfs/dbraw/zinc/06/91/42/1125069142.db2.gz JBYQFRSIRAPQOP-WMZOPIPTSA-N 2 1 347.503 2.471 10 10 EECEMP COc1ccc(C[NH2+]C[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C2CC2)cc1C ZINC001670454267 1176798298 /nfs/dbraw/zinc/79/82/98/1176798298.db2.gz AHMURZSVQVPPSQ-ZWKOTPCHSA-N 2 1 345.487 2.082 10 10 EECEMP CN(C)c1ccc(C[NH2+]CC2([NH3+])CCOCC2)c(C(F)(F)F)c1 ZINC000863645474 1296362387 /nfs/dbraw/zinc/36/23/87/1296362387.db2.gz IDSAWKCEUDQGIZ-UHFFFAOYSA-N 2 1 331.382 2.369 10 10 EECEMP C[NH+]1CCN(c2ccc(C[N@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)cc2)CC1 ZINC000841086512 1315471343 /nfs/dbraw/zinc/47/13/43/1315471343.db2.gz KFPIGQMVWPVTBI-FPOVZHCZSA-N 3 1 342.531 2.402 10 10 EECEMP CN1CCN(c2ccc(C[N@@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)cc2)CC1 ZINC000841086512 1315471348 /nfs/dbraw/zinc/47/13/48/1315471348.db2.gz KFPIGQMVWPVTBI-FPOVZHCZSA-N 2 1 342.531 2.402 10 10 EECEMP CN1CCN(c2ccc(C[N@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)cc2)CC1 ZINC000841086512 1315471351 /nfs/dbraw/zinc/47/13/51/1315471351.db2.gz KFPIGQMVWPVTBI-FPOVZHCZSA-N 2 1 342.531 2.402 10 10 EECEMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001480596738 1106734771 /nfs/dbraw/zinc/73/47/71/1106734771.db2.gz LQMVPRHMHZEOAQ-FUHWJXTLSA-N 2 1 347.503 2.472 10 10 EECEMP COc1ccc(C[NH2+]C2(CNC(=O)[C@H]3CCC[N@H+]3C)CCC2)cc1C ZINC001484628064 1191448158 /nfs/dbraw/zinc/44/81/58/1191448158.db2.gz ONVGECZKAHOBEL-QGZVFWFLSA-N 2 1 345.487 2.226 10 10 EECEMP COc1cccc(O)c1C[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000850357470 1277195927 /nfs/dbraw/zinc/19/59/27/1277195927.db2.gz KNYUQTLRNCJJJF-QGZVFWFLSA-N 2 1 342.439 2.257 10 10 EECEMP Fc1cc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)ccc1N1CCOCC1 ZINC000843122888 1315848054 /nfs/dbraw/zinc/84/80/54/1315848054.db2.gz FSSJAIVNRKRVOL-IBGZPJMESA-N 2 1 333.451 2.238 10 10 EECEMP Fc1cc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)ccc1N1CCOCC1 ZINC000843122888 1315848055 /nfs/dbraw/zinc/84/80/55/1315848055.db2.gz FSSJAIVNRKRVOL-IBGZPJMESA-N 2 1 333.451 2.238 10 10 EECEMP C[NH+](C)C1CCN(Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC1 ZINC001253982361 1317974552 /nfs/dbraw/zinc/97/45/52/1317974552.db2.gz ZCBRSNOWOIJCSC-UHFFFAOYSA-N 2 1 334.483 2.104 10 10 EECEMP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@](O)(C4CC4)C3)cc2F)CC1 ZINC001327960309 1334370853 /nfs/dbraw/zinc/37/08/53/1334370853.db2.gz QUOIHTNHAAEVAO-HXUWFJFHSA-N 2 1 347.478 2.314 10 10 EECEMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@](O)(C4CC4)C3)cc2F)CC1 ZINC001327960309 1334370854 /nfs/dbraw/zinc/37/08/54/1334370854.db2.gz QUOIHTNHAAEVAO-HXUWFJFHSA-N 2 1 347.478 2.314 10 10 EECEMP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)CCN1C ZINC000775717897 577443583 /nfs/dbraw/zinc/44/35/83/577443583.db2.gz UGWHBBMBZTUQDE-PXNSSMCTSA-N 2 1 330.520 2.353 10 10 EECEMP COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)[C@H]2CCC[N@H+]2C)cc1C ZINC001482816164 1187749355 /nfs/dbraw/zinc/74/93/55/1187749355.db2.gz DLGMSYGCTDSPLT-NVXWUHKLSA-N 2 1 333.476 2.082 10 10 EECEMP COc1ccc(C[NH2+]C/C=C/CNC(=O)C[C@@H]2CC[N@@H+](C)C2)cc1C ZINC001483082069 1188443473 /nfs/dbraw/zinc/44/34/73/1188443473.db2.gz JXINUNCBGMDMGC-WRFKIARRSA-N 2 1 345.487 2.107 10 10 EECEMP CN(C)c1ccc(/C=C/C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000843125479 1315849084 /nfs/dbraw/zinc/84/90/84/1315849084.db2.gz XJNSBLXIDAUGMT-OAJJDEHYSA-N 2 1 329.488 2.453 10 10 EECEMP COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)[C@H]2CCCC[N@H+]2C)cc1C ZINC001571392716 1343202522 /nfs/dbraw/zinc/20/25/22/1343202522.db2.gz CGSBPBQBHBRWGH-SJLPKXTDSA-N 2 1 347.503 2.424 10 10 EECEMP COc1ccc(C[NH2+][C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C(C)C)cc1C ZINC001268227120 1182042329 /nfs/dbraw/zinc/04/23/29/1182042329.db2.gz QBIQAHAHZCVOKZ-QZTJIDSGSA-N 2 1 347.503 2.186 10 10 EECEMP COc1ccc(C[NH2+]CC[C@H](C)NC(=O)[C@H]2CCC[N@H+]2C)cc1C ZINC001482816160 1187749379 /nfs/dbraw/zinc/74/93/79/1187749379.db2.gz DLGMSYGCTDSPLT-DOTOQJQBSA-N 2 1 333.476 2.082 10 10 EECEMP COc1ccc(C[NH2+]CCCN(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)cc1C ZINC001670312440 1356316976 /nfs/dbraw/zinc/31/69/76/1356316976.db2.gz HXTUMSJSPFEPNJ-SFHVURJKSA-N 2 1 347.503 2.284 10 10 EECEMP CC[N@@H+](C)CCC(=O)N(C)C1CC([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001486480245 1193994300 /nfs/dbraw/zinc/99/43/00/1193994300.db2.gz QDVRBBAUJZLPSY-UHFFFAOYSA-N 2 1 347.503 2.424 10 10 EECEMP COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)C[N@H+]2CC[C@H](C)C2)cc1C ZINC001331562225 1335037047 /nfs/dbraw/zinc/03/70/47/1335037047.db2.gz XIAOUYXPSHDOIT-DOTOQJQBSA-N 2 1 347.503 2.282 10 10 EECEMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001567022916 1342681821 /nfs/dbraw/zinc/68/18/21/1342681821.db2.gz WDHAQCBPGZVBDB-WMZOPIPTSA-N 2 1 347.503 2.472 10 10 EECEMP COc1ccc(C[NH2+]CCCN(C)C(=O)C[C@H]2CC[N@@H+](C)C2)cc1C ZINC001670312437 1356316990 /nfs/dbraw/zinc/31/69/90/1356316990.db2.gz HXTUMSJSPFEPNJ-GOSISDBHSA-N 2 1 347.503 2.284 10 10 EECEMP COc1ccc(C[NH2+]CC[C@H](C)NC(=O)[C@H]2CCCC[N@H+]2C)cc1C ZINC001568645110 1124657441 /nfs/dbraw/zinc/65/74/41/1124657441.db2.gz BCNUQIOETILCNS-FUHWJXTLSA-N 2 1 347.503 2.472 10 10 EECEMP CCOc1cccc(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)c1O ZINC000093147331 463012265 /nfs/dbraw/zinc/01/22/65/463012265.db2.gz MJUMUUNQTQFVKX-SFHVURJKSA-N 2 1 347.503 2.393 10 10 EECEMP CCOc1cccc(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)c1O ZINC000093147331 463012267 /nfs/dbraw/zinc/01/22/67/463012267.db2.gz MJUMUUNQTQFVKX-SFHVURJKSA-N 2 1 347.503 2.393 10 10 EECEMP COc1ccc(C[NH2+]C2(CNC(=O)[C@@H]3CCCC[N@H+]3C)CC2)cc1C ZINC001483745418 1190898046 /nfs/dbraw/zinc/89/80/46/1190898046.db2.gz DIMAXFWDUGBRQI-KRWDZBQOSA-N 2 1 345.487 2.226 10 10 EECEMP CN1CCN(c2ccc(C[NH2+][C@@H]3C[C@@H]([NH3+])CC(C)(C)C3)cc2)CC1 ZINC000925763697 1206151623 /nfs/dbraw/zinc/15/16/23/1206151623.db2.gz SYNZXKGWTKNJJD-QZTJIDSGSA-N 2 1 330.520 2.434 10 10 EECEMP COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)Cn2cc[nH+]c2C)cc1C ZINC001698859652 1405115826 /nfs/dbraw/zinc/11/58/26/1405115826.db2.gz JPDDSWNTNABRND-HNNXBMFYSA-N 2 1 344.459 2.145 10 10 EECEMP COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]2CCC[N@H+]2C)cc1C ZINC001268056212 1181618620 /nfs/dbraw/zinc/61/86/20/1181618620.db2.gz RDIZNCGKDLKDMY-NVXWUHKLSA-N 2 1 333.476 2.034 10 10 EECEMP COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)C[N@H+]2CC[C@@H](C)C2)cc1C ZINC001273019445 1194326752 /nfs/dbraw/zinc/32/67/52/1194326752.db2.gz WHDCIHHUKRXCJE-NVXWUHKLSA-N 2 1 347.503 2.330 10 10 EECEMP COc1ccc(C[NH2+][C@H](C)CNC(=O)C[N@@H+](C)C2CCC2)cc1C ZINC001265782907 1323378371 /nfs/dbraw/zinc/37/83/71/1323378371.db2.gz DDXJYMNMTVYMEF-OAHLLOKOSA-N 2 1 333.476 2.082 10 10 EECEMP COc1ccc(C[NH2+][C@H](C)CCNC(=O)Cn2cc[nH+]c2C)cc1C ZINC001492126874 1330980494 /nfs/dbraw/zinc/98/04/94/1330980494.db2.gz BGVOCRPAOCCVFA-OAHLLOKOSA-N 2 1 344.459 2.193 10 10 EECEMP CN1CCN(c2ccc(C[N@@H+]3C[C@]4(C)COC[C@]4(C)C3)cc2F)CC1 ZINC001333981790 1336186881 /nfs/dbraw/zinc/18/68/81/1336186881.db2.gz JWVZIHQHFKRNMZ-BGYRXZFFSA-N 2 1 347.478 2.436 10 10 EECEMP C[NH+]1CCN(c2ccc(C[N@H+]3C[C@]4(C)COC[C@]4(C)C3)cc2F)CC1 ZINC001333981790 1336186883 /nfs/dbraw/zinc/18/68/83/1336186883.db2.gz JWVZIHQHFKRNMZ-BGYRXZFFSA-N 2 1 347.478 2.436 10 10 EECEMP C[NH+]1CCN(c2ccc(C[N@@H+]3C[C@]4(C)COC[C@]4(C)C3)cc2F)CC1 ZINC001333981790 1336186885 /nfs/dbraw/zinc/18/68/85/1336186885.db2.gz JWVZIHQHFKRNMZ-BGYRXZFFSA-N 2 1 347.478 2.436 10 10 EECEMP COc1ccc(C[NH2+][C@H](C)CCNC(=O)C[N@H+]2CC[C@H](C)C2)cc1C ZINC001567230523 1342713355 /nfs/dbraw/zinc/71/33/55/1342713355.db2.gz KFJBUFHPBVHXJN-DOTOQJQBSA-N 2 1 347.503 2.330 10 10 EECEMP CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)[C@H]1CCCC[N@H+]1C ZINC001268463033 1182764989 /nfs/dbraw/zinc/76/49/89/1182764989.db2.gz UNMVATUIUZXAOU-GOSISDBHSA-N 2 1 347.503 2.426 10 10 EECEMP CC[N@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)Cc1ccc(N(C)C)cc1 ZINC000903873880 1242264658 /nfs/dbraw/zinc/26/46/58/1242264658.db2.gz ZTCCLJZCBJUBIU-SFHVURJKSA-N 2 1 342.491 2.291 10 10 EECEMP CC[N@@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)Cc1ccc(N(C)C)cc1 ZINC000903873880 1242264663 /nfs/dbraw/zinc/26/46/63/1242264663.db2.gz ZTCCLJZCBJUBIU-SFHVURJKSA-N 2 1 342.491 2.291 10 10 EECEMP CN(C)c1ccc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)cc1 ZINC000903980376 1242845842 /nfs/dbraw/zinc/84/58/42/1242845842.db2.gz PQKDFHSRXXHZBG-BGYRXZFFSA-N 2 1 328.504 2.153 10 10 EECEMP CN(C)c1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)cc1 ZINC000903980376 1242845858 /nfs/dbraw/zinc/84/58/58/1242845858.db2.gz PQKDFHSRXXHZBG-BGYRXZFFSA-N 2 1 328.504 2.153 10 10 EECEMP CN(C)c1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)cc1 ZINC000903980376 1242845874 /nfs/dbraw/zinc/84/58/74/1242845874.db2.gz PQKDFHSRXXHZBG-BGYRXZFFSA-N 2 1 328.504 2.153 10 10 EECEMP COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)C[N@H+]2CC[C@@H](C)C2)cc1C ZINC001331562226 1335037137 /nfs/dbraw/zinc/03/71/37/1335037137.db2.gz XIAOUYXPSHDOIT-NVXWUHKLSA-N 2 1 347.503 2.282 10 10 EECEMP COc1ccc(C[NH2+]C/C=C/CNC(=O)[C@H]2CCCC[N@H+]2C)cc1C ZINC001668888277 1356037405 /nfs/dbraw/zinc/03/74/05/1356037405.db2.gz WBZFTTKUXASEJE-DUMMIQTOSA-N 2 1 345.487 2.250 10 10 EECEMP CC[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001567984047 1124216543 /nfs/dbraw/zinc/21/65/43/1124216543.db2.gz FKKDRRPUINCLOJ-QZTJIDSGSA-N 2 1 347.503 2.330 10 10 EECEMP COc1cnc(F)c(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC000895606330 684665980 /nfs/dbraw/zinc/66/59/80/684665980.db2.gz CNDUIKRQTSAXSL-UHFFFAOYSA-N 2 1 344.434 2.271 10 10 EECEMP COc1c([O-])c(C[N@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC000903959262 1331618657 /nfs/dbraw/zinc/61/86/57/1331618657.db2.gz DDOKFPQUNITBIU-KRWDZBQOSA-N 2 1 335.404 2.275 10 10 EECEMP COc1c(O)c(CN2CCCC[C@@]3(CC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC000903959262 1331618661 /nfs/dbraw/zinc/61/86/61/1331618661.db2.gz DDOKFPQUNITBIU-KRWDZBQOSA-N 2 1 335.404 2.275 10 10 EECEMP Cc1cccc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c1O ZINC000377695969 467118913 /nfs/dbraw/zinc/11/89/13/467118913.db2.gz KJDLXYNVTWKRIT-DFNIBXOVSA-N 2 1 329.488 2.443 10 10 EECEMP CN(Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000775680379 577442672 /nfs/dbraw/zinc/44/26/72/577442672.db2.gz BOONSGGKJCMYMH-HXUWFJFHSA-N 2 1 328.504 2.107 10 10 EECEMP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@@H]1CCN(C2CC2)C1 ZINC000775680379 577442673 /nfs/dbraw/zinc/44/26/73/577442673.db2.gz BOONSGGKJCMYMH-HXUWFJFHSA-N 2 1 328.504 2.107 10 10 EECEMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@@H]1CCN(C2CC2)C1 ZINC000775680379 577442674 /nfs/dbraw/zinc/44/26/74/577442674.db2.gz BOONSGGKJCMYMH-HXUWFJFHSA-N 2 1 328.504 2.107 10 10 EECEMP Oc1cccc(Cl)c1CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903980141 1242841374 /nfs/dbraw/zinc/84/13/74/1242841374.db2.gz JQNRMCCFUFNJOI-GASCZTMLSA-N 2 1 335.879 2.446 10 10 EECEMP C[NH+]1C[C@]2(C)C[NH+](Cc3ccc(N4CCOCC4)cc3)C[C@@]2(C)C1 ZINC000931315837 1297133045 /nfs/dbraw/zinc/13/30/45/1297133045.db2.gz BZHYAFVIIOOUTC-WOJBJXKFSA-N 2 1 329.488 2.297 10 10 EECEMP CCC[N@@H+](C)CC(=O)N1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C[C@H]1C ZINC001571490952 1343219091 /nfs/dbraw/zinc/21/90/91/1343219091.db2.gz LDUZYNAOYLVMLZ-SJLPKXTDSA-N 2 1 347.503 2.424 10 10 EECEMP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000817917541 785068268 /nfs/dbraw/zinc/06/82/68/785068268.db2.gz RIGUKLZPOWWTLQ-WOJBJXKFSA-N 3 1 328.504 2.188 10 10 EECEMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001480596740 1106736310 /nfs/dbraw/zinc/73/63/10/1106736310.db2.gz LQMVPRHMHZEOAQ-WMZOPIPTSA-N 2 1 347.503 2.472 10 10 EECEMP CC[C@@H](CNC(=O)Cn1c[nH+]cc1C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001267811666 1180565017 /nfs/dbraw/zinc/56/50/17/1180565017.db2.gz MFCQOSDPUZMKCT-KRWDZBQOSA-N 2 1 344.459 2.193 10 10 EECEMP CC[C@@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001267819649 1180579468 /nfs/dbraw/zinc/57/94/68/1180579468.db2.gz HAPVTZAKESQIFL-YJBOKZPZSA-N 2 1 347.503 2.330 10 10 EECEMP CC[N@@H+](C)CCC(=O)N1CC[C@@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001567145990 1342701309 /nfs/dbraw/zinc/70/13/09/1342701309.db2.gz CDRGJQUKDYPEKZ-SFHVURJKSA-N 2 1 347.503 2.284 10 10 EECEMP COc1ccc(C[NH2+]CCN(C)C(=O)CC[C@@H]2CCC[N@H+]2C)cc1C ZINC001663992982 1355069596 /nfs/dbraw/zinc/06/95/96/1355069596.db2.gz QPIQZEYOUMZCJF-SFHVURJKSA-N 2 1 347.503 2.426 10 10 EECEMP COc1ccc(C[NH2+]C[C@H](C)CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1C ZINC001666552151 1355543254 /nfs/dbraw/zinc/54/32/54/1355543254.db2.gz CKSWVWHZGAAGQB-YXJHDRRASA-N 2 1 347.503 2.186 10 10 EECEMP CN(C)c1ccc(C[N@@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)cc1 ZINC000193438727 529780459 /nfs/dbraw/zinc/78/04/59/529780459.db2.gz PNRSRNBZYXLKEW-HXUWFJFHSA-N 2 1 330.520 2.355 10 10 EECEMP CN(C)c1ccc(C[N@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)cc1 ZINC000193438727 529780460 /nfs/dbraw/zinc/78/04/60/529780460.db2.gz PNRSRNBZYXLKEW-HXUWFJFHSA-N 2 1 330.520 2.355 10 10 EECEMP COc1ccc(C[NH2+]C/C=C\CNC(=O)C[C@H]2CC[N@@H+](C)C2)cc1C ZINC001483082067 1188443260 /nfs/dbraw/zinc/44/32/60/1188443260.db2.gz JXINUNCBGMDMGC-PYTPGESOSA-N 2 1 345.487 2.107 10 10 EECEMP Cc1c(C[N@@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)cnn1C ZINC000790938735 809011688 /nfs/dbraw/zinc/01/16/88/809011688.db2.gz UNFUBGKNOUAVNO-UHFFFAOYSA-N 2 1 327.476 2.112 10 10 EECEMP COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)[C@@H]2CCCC[N@H+]2C)cc1C ZINC001507111709 1115114398 /nfs/dbraw/zinc/11/43/98/1115114398.db2.gz CGSBPBQBHBRWGH-AEFFLSMTSA-N 2 1 347.503 2.424 10 10 EECEMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000843296561 1315883861 /nfs/dbraw/zinc/88/38/61/1315883861.db2.gz AXLOVFJBBVXOKN-YOEHRIQHSA-N 2 1 343.475 2.279 10 10 EECEMP COc1ccc(C[NH2+][C@H](C)CCNC(=O)C[N@H+]2CC[C@@H](C)C2)cc1C ZINC001567230524 1342713317 /nfs/dbraw/zinc/71/33/17/1342713317.db2.gz KFJBUFHPBVHXJN-NVXWUHKLSA-N 2 1 347.503 2.330 10 10 EECEMP CCC[N@@H+](C)CC(=O)N1C[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C[C@H]1C ZINC001571490950 1343219321 /nfs/dbraw/zinc/21/93/21/1343219321.db2.gz LDUZYNAOYLVMLZ-AEFFLSMTSA-N 2 1 347.503 2.424 10 10 EECEMP COc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)Cn2c[nH+]cc2C)cc1C ZINC001674700527 1356878799 /nfs/dbraw/zinc/87/87/99/1356878799.db2.gz MLCNBQRDRPISRJ-JKSUJKDBSA-N 2 1 344.459 2.192 10 10 EECEMP COc1ccc(C[NH2+]CCCN(C)C(=O)[C@@H]2CCCC[N@H+]2C)cc1C ZINC001498567879 1107734829 /nfs/dbraw/zinc/73/48/29/1107734829.db2.gz LMUJJWOLUUMPMC-SFHVURJKSA-N 2 1 347.503 2.426 10 10 EECEMP CN(C)c1ccc(/C=C/C[N@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)cc1 ZINC000841100575 1315475751 /nfs/dbraw/zinc/47/57/51/1315475751.db2.gz ZNJGELVCUANUKO-MEDHRJKHSA-N 2 1 340.475 2.153 10 10 EECEMP CN(C)c1ccc(/C=C/C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000843125480 1315849120 /nfs/dbraw/zinc/84/91/20/1315849120.db2.gz XJNSBLXIDAUGMT-WHLIDYPQSA-N 2 1 329.488 2.453 10 10 EECEMP COc1cc(Cl)cc(C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)c1O ZINC000843431854 1315913976 /nfs/dbraw/zinc/91/39/76/1315913976.db2.gz KRFJVICVFHKAQG-UHFFFAOYSA-N 2 1 340.851 2.351 10 10 EECEMP COc1cc(Cl)cc(C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)c1O ZINC000843431854 1315913979 /nfs/dbraw/zinc/91/39/79/1315913979.db2.gz KRFJVICVFHKAQG-UHFFFAOYSA-N 2 1 340.851 2.351 10 10 EECEMP COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)[C@H]2CCC[N@H+]2C)cc1C ZINC001283583622 1326145662 /nfs/dbraw/zinc/14/56/62/1326145662.db2.gz WCVHEGHMHCISHL-NVXWUHKLSA-N 2 1 333.476 2.034 10 10 EECEMP COc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)Cn2cc[nH+]c2C)cc1C ZINC001485223780 1191702765 /nfs/dbraw/zinc/70/27/65/1191702765.db2.gz BORGLJOZBIASRS-HUUCEWRRSA-N 2 1 344.459 2.192 10 10 EECEMP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](C)c2ccc(F)cc2O)CC1 ZINC000854232232 1292681314 /nfs/dbraw/zinc/68/13/14/1292681314.db2.gz RJMNKIZAIZSBAE-CYBMUJFWSA-N 2 1 337.439 2.173 10 10 EECEMP COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)C[C@H]2CC[N@@H+](C)C2)cc1C ZINC001277988803 1305610402 /nfs/dbraw/zinc/61/04/02/1305610402.db2.gz UBQIHVNKYVVRKW-SJLPKXTDSA-N 2 1 347.503 2.282 10 10 EECEMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc2ccc(OC)c(C)c2)CC[N@H+]1C ZINC001265777281 1323375730 /nfs/dbraw/zinc/37/57/30/1323375730.db2.gz JXRZZTQCAYEXAY-BPQIPLTHSA-N 2 1 347.503 2.328 10 10 EECEMP CC[N@@H+](C)CCC(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001699763857 1405472972 /nfs/dbraw/zinc/47/29/72/1405472972.db2.gz SDJPVWQOTFCJCU-SFHVURJKSA-N 2 1 347.503 2.426 10 10 EECEMP COc1cc(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)c(O)cc1C ZINC000768448684 577555939 /nfs/dbraw/zinc/55/59/39/577555939.db2.gz WGQKKQZSXSRVSA-GOSISDBHSA-N 2 1 347.503 2.311 10 10 EECEMP COc1cc(C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c(O)cc1C ZINC000768448684 577555940 /nfs/dbraw/zinc/55/59/40/577555940.db2.gz WGQKKQZSXSRVSA-GOSISDBHSA-N 2 1 347.503 2.311 10 10 EECEMP COc1ccc(C[NH2+]CCCN(C)C(=O)Cn2cc[nH+]c2C)cc1C ZINC001268950329 1183843986 /nfs/dbraw/zinc/84/39/86/1183843986.db2.gz UFAOWXQGLBMTNW-UHFFFAOYSA-N 2 1 344.459 2.147 10 10 EECEMP Cn1cnc(C[NH2+]Cc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)c1 ZINC000808401422 812627582 /nfs/dbraw/zinc/62/75/82/812627582.db2.gz KAAZCJBFIQHPJW-UHFFFAOYSA-N 2 1 339.487 2.242 10 10 EECEMP CC[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001495035928 1104676570 /nfs/dbraw/zinc/67/65/70/1104676570.db2.gz DKXCYIRVWWPEOK-IAGOWNOFSA-N 2 1 333.476 2.082 10 10 EECEMP COc1ccc(C[NH2+][C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C(C)C)cc1C ZINC001268227119 1182043193 /nfs/dbraw/zinc/04/31/93/1182043193.db2.gz QBIQAHAHZCVOKZ-MSOLQXFVSA-N 2 1 347.503 2.186 10 10 EECEMP COc1ccc(C[NH2+]C/C=C\CNC(=O)C[C@@H]2CC[N@@H+](C)C2)cc1C ZINC001483082070 1188443454 /nfs/dbraw/zinc/44/34/54/1188443454.db2.gz JXINUNCBGMDMGC-XDXAGZTOSA-N 2 1 345.487 2.107 10 10 EECEMP c1cc(C[NH2+]Cc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)n[nH]1 ZINC000092855795 1214678694 /nfs/dbraw/zinc/67/86/94/1214678694.db2.gz AIBVEJYPGPHCJF-UHFFFAOYSA-N 2 1 325.460 2.232 10 10 EECEMP CC[N@H+](Cc1cnnn1[C@@H]1CCC[NH2+]C1)Cc1ccc(N(C)C)cc1 ZINC000903873879 1242264298 /nfs/dbraw/zinc/26/42/98/1242264298.db2.gz ZTCCLJZCBJUBIU-GOSISDBHSA-N 2 1 342.491 2.291 10 10 EECEMP CC[N@@H+](Cc1cnnn1[C@@H]1CCC[NH2+]C1)Cc1ccc(N(C)C)cc1 ZINC000903873879 1242264305 /nfs/dbraw/zinc/26/43/05/1242264305.db2.gz ZTCCLJZCBJUBIU-GOSISDBHSA-N 2 1 342.491 2.291 10 10 EECEMP CCn1nc(C)c([C@H](C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000926854977 1296941792 /nfs/dbraw/zinc/94/17/92/1296941792.db2.gz QNNKEHUWGJPRGV-HNNXBMFYSA-N 2 1 342.491 2.209 10 10 EECEMP CC[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)[C@@H](O)C(F)F ZINC001324662609 1333733829 /nfs/dbraw/zinc/73/38/29/1333733829.db2.gz MMCJYGYWGXMCCE-GDBMZVCRSA-N 2 1 345.409 2.072 10 10 EECEMP COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)C[N@@H+](C)C2CCC2)cc1C ZINC001507089333 1115102405 /nfs/dbraw/zinc/10/24/05/1115102405.db2.gz MJIFOVNDYLHDDL-MRXNPFEDSA-N 2 1 347.503 2.424 10 10 EECEMP C[C@@H]1C[N@@H+](Cc2cc3c(cc2O)CCC3)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000763343983 577719553 /nfs/dbraw/zinc/71/95/53/577719553.db2.gz ZNLSNKWNAQUULZ-UZLBHIALSA-N 2 1 343.515 2.339 10 10 EECEMP C[NH+]1CCN(c2ccc(C[N@@H+]3C[C@]4(C)COC[C@]4(C)C3)cc2)CC1 ZINC000827017589 1249242361 /nfs/dbraw/zinc/24/23/61/1249242361.db2.gz FXGJCFNJMCERSC-BGYRXZFFSA-N 2 1 329.488 2.297 10 10 EECEMP c1cc(N2CCOCC2)ccc1C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000841088247 1315472089 /nfs/dbraw/zinc/47/20/89/1315472089.db2.gz TYMOTOAZBMJXEQ-UYAOXDASSA-N 2 1 329.488 2.487 10 10 EECEMP CCO[C@@H](C[NH2+]C1CCN(c2ccc(OC)cc2)CC1)C[NH+](C)C ZINC000922755246 801822155 /nfs/dbraw/zinc/82/21/55/801822155.db2.gz ZIEXIAFMTITRCJ-IBGZPJMESA-N 2 1 335.492 2.220 10 10 EECEMP COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]2CCCC[N@H+]2C)cc1C ZINC001482319948 1185335761 /nfs/dbraw/zinc/33/57/61/1185335761.db2.gz QNAMGBQWCOLKDV-WMZOPIPTSA-N 2 1 347.503 2.424 10 10 EECEMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001480596739 1106735868 /nfs/dbraw/zinc/73/58/68/1106735868.db2.gz LQMVPRHMHZEOAQ-SJLPKXTDSA-N 2 1 347.503 2.472 10 10 EECEMP C[N@@H+]1C[C@]2(C)C[NH+](Cc3ccc(N4CCOCC4)cc3)C[C@]2(C)C1 ZINC000931315835 1297133888 /nfs/dbraw/zinc/13/38/88/1297133888.db2.gz BZHYAFVIIOOUTC-BGYRXZFFSA-N 2 1 329.488 2.297 10 10 EECEMP C[N@H+]1C[C@]2(C)C[NH+](Cc3ccc(N4CCOCC4)cc3)C[C@]2(C)C1 ZINC000931315835 1297133895 /nfs/dbraw/zinc/13/38/95/1297133895.db2.gz BZHYAFVIIOOUTC-BGYRXZFFSA-N 2 1 329.488 2.297 10 10 EECEMP C[NH+]1C[C@]2(C)C[N@H+](Cc3ccc(N4CCOCC4)cc3)C[C@]2(C)C1 ZINC000931315835 1297133905 /nfs/dbraw/zinc/13/39/05/1297133905.db2.gz BZHYAFVIIOOUTC-BGYRXZFFSA-N 2 1 329.488 2.297 10 10 EECEMP C[NH+]1C[C@]2(C)C[N@@H+](Cc3ccc(N4CCOCC4)cc3)C[C@]2(C)C1 ZINC000931315835 1297133913 /nfs/dbraw/zinc/13/39/13/1297133913.db2.gz BZHYAFVIIOOUTC-BGYRXZFFSA-N 2 1 329.488 2.297 10 10 EECEMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001498197656 1107063853 /nfs/dbraw/zinc/06/38/53/1107063853.db2.gz UHOUDOODSSLLJV-FUHWJXTLSA-N 2 1 347.503 2.472 10 10 EECEMP COc1ccc(C[NH2+]C2(CNC(=O)C[N@@H+](C)C3CCC3)CC2)cc1C ZINC001670797821 1183428719 /nfs/dbraw/zinc/42/87/19/1183428719.db2.gz NOULFTCFVNWEQO-UHFFFAOYSA-N 2 1 345.487 2.226 10 10 EECEMP COc1ccc(C[NH2+][C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]2C)cc1C ZINC001274296153 1204988227 /nfs/dbraw/zinc/98/82/27/1204988227.db2.gz AVHHBUMCPLHBCF-FUHWJXTLSA-N 2 1 347.503 2.280 10 10 EECEMP c1cc(N2CCOCC2)ccc1C[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000903960050 1242734104 /nfs/dbraw/zinc/73/41/04/1242734104.db2.gz VWQKOTJKELTEJP-FQEVSTJZSA-N 2 1 329.488 2.489 10 10 EECEMP C[NH+]1CCN(c2ccc(C[N@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)cc2)CC1 ZINC000841086516 1315471522 /nfs/dbraw/zinc/47/15/22/1315471522.db2.gz KFPIGQMVWPVTBI-TZIWHRDSSA-N 3 1 342.531 2.402 10 10 EECEMP CN1CCN(c2ccc(C[N@@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)cc2)CC1 ZINC000841086516 1315471526 /nfs/dbraw/zinc/47/15/26/1315471526.db2.gz KFPIGQMVWPVTBI-TZIWHRDSSA-N 2 1 342.531 2.402 10 10 EECEMP CN1CCN(c2ccc(C[N@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)cc2)CC1 ZINC000841086516 1315471529 /nfs/dbraw/zinc/47/15/29/1315471529.db2.gz KFPIGQMVWPVTBI-TZIWHRDSSA-N 2 1 342.531 2.402 10 10 EECEMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]4)C3)cc2)CC1 ZINC000843046559 1315828492 /nfs/dbraw/zinc/82/84/92/1315828492.db2.gz ZKLCORPUILYFIC-PZJWPPBQSA-N 3 1 342.531 2.402 10 10 EECEMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@]4(CC[NH2+]C4)C3)cc2)CC1 ZINC000843124005 1315848277 /nfs/dbraw/zinc/84/82/77/1315848277.db2.gz SYWOZIVCHFOXCU-FQEVSTJZSA-N 3 1 328.504 2.014 10 10 EECEMP C[NH+]1CCN(c2ccc(CN3CCC[C@@]4(CC[NH2+]C4)C3)cc2)CC1 ZINC000843124005 1315848282 /nfs/dbraw/zinc/84/82/82/1315848282.db2.gz SYWOZIVCHFOXCU-FQEVSTJZSA-N 2 1 328.504 2.014 10 10 EECEMP COc1ccc(C[NH2+]C[C@H](C)CNC(=O)C[N@H+]2CC[C@@H](C)C2)cc1C ZINC001495741620 1101511842 /nfs/dbraw/zinc/51/18/42/1101511842.db2.gz BZNGTXWUNMBBEC-CVEARBPZSA-N 2 1 347.503 2.187 10 10 EECEMP COc1ccc(C[NH2+]C2(CNC(=O)[C@@H]3CCC[N@H+]3C)CCC2)cc1C ZINC001484628063 1191448027 /nfs/dbraw/zinc/44/80/27/1191448027.db2.gz ONVGECZKAHOBEL-KRWDZBQOSA-N 2 1 345.487 2.226 10 10 EECEMP COc1cccc(O)c1C[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000850357469 1277195885 /nfs/dbraw/zinc/19/58/85/1277195885.db2.gz KNYUQTLRNCJJJF-KRWDZBQOSA-N 2 1 342.439 2.257 10 10 EECEMP CC[N@H+](Cc1ccc(N(C)C)cc1)C[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903872488 1242258465 /nfs/dbraw/zinc/25/84/65/1242258465.db2.gz FLUKEUSAGQSWII-GOSISDBHSA-N 2 1 343.519 2.434 10 10 EECEMP CN(C)c1ccc(/C=C/C[N@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)cc1 ZINC000841100574 1315476018 /nfs/dbraw/zinc/47/60/18/1315476018.db2.gz ZNJGELVCUANUKO-JUGMSXHOSA-N 2 1 340.475 2.153 10 10 EECEMP C[NH+]1CCN(c2ccc(C[N@@H+]3C[C@@H]4COC[C@@]4(C)C3)cc2F)CC1 ZINC001261688884 1322154940 /nfs/dbraw/zinc/15/49/40/1322154940.db2.gz YIDCZJYWHJLRQL-VQIMIIECSA-N 2 1 333.451 2.046 10 10 EECEMP C[NH+]1CCN(c2ccc(C[N@H+]3C[C@@H]4COC[C@@]4(C)C3)cc2F)CC1 ZINC001261688884 1322154943 /nfs/dbraw/zinc/15/49/43/1322154943.db2.gz YIDCZJYWHJLRQL-VQIMIIECSA-N 2 1 333.451 2.046 10 10 EECEMP CC[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001567984048 1124215886 /nfs/dbraw/zinc/21/58/86/1124215886.db2.gz FKKDRRPUINCLOJ-ROUUACIJSA-N 2 1 347.503 2.330 10 10 EECEMP Cc1cccc(C[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)c1O ZINC000180073864 464235675 /nfs/dbraw/zinc/23/56/75/464235675.db2.gz YIBZRLWIJMCFQD-UHFFFAOYSA-N 2 1 345.487 2.077 10 10 EECEMP COc1ccc(C[NH2+]C/C=C\CNC(=O)[C@H]2CCCC[N@H+]2C)cc1C ZINC001668888279 1356036938 /nfs/dbraw/zinc/03/69/38/1356036938.db2.gz WBZFTTKUXASEJE-OOFWQKGWSA-N 2 1 345.487 2.250 10 10 EECEMP COc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)Cn2c[nH+]cc2C)cc1C ZINC001674700523 1356878868 /nfs/dbraw/zinc/87/88/68/1356878868.db2.gz MLCNBQRDRPISRJ-HOTGVXAUSA-N 2 1 344.459 2.192 10 10 EECEMP COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)C[N@@H+](C)C2CCC2)cc1C ZINC001568277896 1124400504 /nfs/dbraw/zinc/40/05/04/1124400504.db2.gz ISQUNLUCIPCQLQ-INIZCTEOSA-N 2 1 347.503 2.424 10 10 EECEMP COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)[C@H]2CCCC[N@H+]2C)cc1C ZINC001568645111 1124656976 /nfs/dbraw/zinc/65/69/76/1124656976.db2.gz BCNUQIOETILCNS-SJLPKXTDSA-N 2 1 347.503 2.472 10 10 EECEMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](Cc1c(O)cc(C)cc1Cl)C2 ZINC000903976864 1242825447 /nfs/dbraw/zinc/82/54/47/1242825447.db2.gz FNQRDDYKMWWBRG-JKDFXYPNSA-N 2 1 338.835 2.066 10 10 EECEMP COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1C ZINC001331456624 1335017121 /nfs/dbraw/zinc/01/71/21/1335017121.db2.gz VHFSGSXRVKBDDL-JFIYKMOQSA-N 2 1 347.503 2.280 10 10 EECEMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2cc3c(cc2O)CCC3)CC1 ZINC000738168813 578002368 /nfs/dbraw/zinc/00/23/68/578002368.db2.gz AKVNORSEFNMMKC-HXUWFJFHSA-N 2 1 343.515 2.483 10 10 EECEMP CC[C@H](CNC(=O)Cn1c[nH+]cc1C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001267811668 1180565270 /nfs/dbraw/zinc/56/52/70/1180565270.db2.gz MFCQOSDPUZMKCT-QGZVFWFLSA-N 2 1 344.459 2.193 10 10 EECEMP CN(C)c1ccc(CNC(=O)C[N@@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)cc1 ZINC000866705591 1201585406 /nfs/dbraw/zinc/58/54/06/1201585406.db2.gz CZUDAXGEQSTNNZ-FQEVSTJZSA-N 2 1 346.519 2.066 10 10 EECEMP CN(C)c1ccc(CNC(=O)C[N@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)cc1 ZINC000866705591 1201585408 /nfs/dbraw/zinc/58/54/08/1201585408.db2.gz CZUDAXGEQSTNNZ-FQEVSTJZSA-N 2 1 346.519 2.066 10 10 EECEMP C[NH2+]CCOCC[N@@H+](C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000863647788 1296365006 /nfs/dbraw/zinc/36/50/06/1296365006.db2.gz VYFOXFODXOOIRU-UHFFFAOYSA-N 2 1 333.398 2.439 10 10 EECEMP CN(C)c1ccc(/C=C\C[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])cc1 ZINC000843122026 1315847719 /nfs/dbraw/zinc/84/77/19/1315847719.db2.gz NNYLBTVONGKFMP-SFFCAUCYSA-N 2 1 344.503 2.085 10 10 EECEMP CC[C@@H]1[C@H](CO)CC[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001327953101 1334369425 /nfs/dbraw/zinc/36/94/25/1334369425.db2.gz UFXNDVAMIOQCIM-FUHWJXTLSA-N 2 1 335.467 2.170 10 10 EECEMP CC[C@@H]1[C@H](CO)CC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001327953101 1334369426 /nfs/dbraw/zinc/36/94/26/1334369426.db2.gz UFXNDVAMIOQCIM-FUHWJXTLSA-N 2 1 335.467 2.170 10 10 EECEMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001480596737 1106736328 /nfs/dbraw/zinc/73/63/28/1106736328.db2.gz LQMVPRHMHZEOAQ-AEFFLSMTSA-N 2 1 347.503 2.472 10 10 EECEMP COc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@H]2CCC[N@H+]2C(C)C)cc1C ZINC001569056614 1125069712 /nfs/dbraw/zinc/06/97/12/1125069712.db2.gz JBYQFRSIRAPQOP-FUHWJXTLSA-N 2 1 347.503 2.471 10 10 EECEMP C[N@H+]1CCCC[C@H]1CN1CC[NH+](Cc2cc3c(cc2O)CCC3)CC1 ZINC000738168812 578002321 /nfs/dbraw/zinc/00/23/21/578002321.db2.gz AKVNORSEFNMMKC-FQEVSTJZSA-N 2 1 343.515 2.483 10 10 EECEMP C[C@@H]([NH2+]CCN1CCC([NH3+])CC1)c1cccc(C(F)(F)F)c1O ZINC000925817624 1206157190 /nfs/dbraw/zinc/15/71/90/1206157190.db2.gz UDFCZLVWKDBGSD-LLVKDONJSA-N 2 1 331.382 2.485 10 10 EECEMP c1cc(N2CCOCC2)ccc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000843045762 1315827889 /nfs/dbraw/zinc/82/78/89/1315827889.db2.gz VUJVSUZWXBIBCY-QUCCMNQESA-N 2 1 329.488 2.487 10 10 EECEMP COc1ccc(C[NH2+]CCC[C@H](C)NC(=O)[C@H]2CCC[N@H+]2C)cc1C ZINC001330883217 1334920718 /nfs/dbraw/zinc/92/07/18/1334920718.db2.gz NGFOGBHZZOWUGQ-FUHWJXTLSA-N 2 1 347.503 2.472 10 10 EECEMP CC[N@@H+](C)CCC(=O)N1CC[C@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001567145989 1342701278 /nfs/dbraw/zinc/70/12/78/1342701278.db2.gz CDRGJQUKDYPEKZ-GOSISDBHSA-N 2 1 347.503 2.284 10 10 EECEMP Cc1cc(N(C)C)ccc1C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903980150 1242842854 /nfs/dbraw/zinc/84/28/54/1242842854.db2.gz KAXORWPGDIWEDU-OYRHEFFESA-N 2 1 342.531 2.462 10 10 EECEMP Cc1cc(N(C)C)ccc1CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903980150 1242842865 /nfs/dbraw/zinc/84/28/65/1242842865.db2.gz KAXORWPGDIWEDU-OYRHEFFESA-N 2 1 342.531 2.462 10 10 EECEMP Cc1cc(N(C)C)ccc1CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903980150 1242842875 /nfs/dbraw/zinc/84/28/75/1242842875.db2.gz KAXORWPGDIWEDU-OYRHEFFESA-N 2 1 342.531 2.462 10 10 EECEMP COc1ccc(O)c(C[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)c1 ZINC000826941902 1248169815 /nfs/dbraw/zinc/16/98/15/1248169815.db2.gz MGUJIXVVXNAZHH-SFHVURJKSA-N 2 1 342.439 2.257 10 10 EECEMP CCOc1cccc(C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c1O ZINC000121109152 463081525 /nfs/dbraw/zinc/08/15/25/463081525.db2.gz OWAHMXVHQBKTOO-HNNXBMFYSA-N 2 1 336.476 2.316 10 10 EECEMP CN(C)c1ccc(/C=C\C[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])cc1 ZINC000843122028 1315847839 /nfs/dbraw/zinc/84/78/39/1315847839.db2.gz NNYLBTVONGKFMP-VOFKWLDRSA-N 2 1 344.503 2.085 10 10 EECEMP COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]2CCC[N@H+]2C)cc1C ZINC001283583625 1326145638 /nfs/dbraw/zinc/14/56/38/1326145638.db2.gz WCVHEGHMHCISHL-RDJZCZTQSA-N 2 1 333.476 2.034 10 10 EECEMP COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)Cn2cc[nH+]c2C)cc1C ZINC001666666704 1355561931 /nfs/dbraw/zinc/56/19/31/1355561931.db2.gz GYIRQHWYADTAQT-CQSZACIVSA-N 2 1 344.459 2.051 10 10 EECEMP COc1ccc(C[NH2+]C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C2CC2)cc1C ZINC001670454262 1176797980 /nfs/dbraw/zinc/79/79/80/1176797980.db2.gz AHMURZSVQVPPSQ-MSOLQXFVSA-N 2 1 345.487 2.082 10 10 EECEMP COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@H]2CCC[N@H+]2C)cc1C ZINC001268056211 1181618943 /nfs/dbraw/zinc/61/89/43/1181618943.db2.gz RDIZNCGKDLKDMY-DOTOQJQBSA-N 2 1 333.476 2.034 10 10 EECEMP C[NH+]1CCN(c2ccc(C[N@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)cc2)CC1 ZINC000841086510 1315471800 /nfs/dbraw/zinc/47/18/00/1315471800.db2.gz KFPIGQMVWPVTBI-CTNGQTDRSA-N 3 1 342.531 2.402 10 10 EECEMP CN1CCN(c2ccc(C[N@@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)cc2)CC1 ZINC000841086510 1315471804 /nfs/dbraw/zinc/47/18/04/1315471804.db2.gz KFPIGQMVWPVTBI-CTNGQTDRSA-N 2 1 342.531 2.402 10 10 EECEMP CN1CCN(c2ccc(C[N@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)cc2)CC1 ZINC000841086510 1315471809 /nfs/dbraw/zinc/47/18/09/1315471809.db2.gz KFPIGQMVWPVTBI-CTNGQTDRSA-N 2 1 342.531 2.402 10 10 EECEMP COc1ccc(C[NH2+]C[C@@H](C)NC(=O)C[N@@H+](C)C2CCC2)cc1C ZINC001321540998 1333120873 /nfs/dbraw/zinc/12/08/73/1333120873.db2.gz DKMGXOFGSOBEIK-OAHLLOKOSA-N 2 1 333.476 2.082 10 10 EECEMP C[NH+]1CCN(c2ccc(C[NH2+]CC3CCC(O)CC3)cc2F)CC1 ZINC001329564372 1334674992 /nfs/dbraw/zinc/67/49/92/1334674992.db2.gz GZGXIUILDFNHNB-UHFFFAOYSA-N 2 1 335.467 2.218 10 10 EECEMP COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)C[N@H+]2CC[C@@H](C)C2)cc1C ZINC001495741624 1101511498 /nfs/dbraw/zinc/51/14/98/1101511498.db2.gz BZNGTXWUNMBBEC-HZPDHXFCSA-N 2 1 347.503 2.187 10 10 EECEMP CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001482914052 1187840117 /nfs/dbraw/zinc/84/01/17/1187840117.db2.gz HFCVBMCUOGSSDE-KRWDZBQOSA-N 2 1 333.476 2.036 10 10 EECEMP C[NH+]1CCN(c2ccc(C[N@@H+]3C[C@@H]4CSC[C@@H]4C3)cc2F)CC1 ZINC001331596677 1335042872 /nfs/dbraw/zinc/04/28/72/1335042872.db2.gz LKWUJDPEZTWYOA-IYBDPMFKSA-N 2 1 335.492 2.372 10 10 EECEMP C[NH+]1CCN(c2ccc(C[N@H+]3C[C@@H]4CSC[C@@H]4C3)cc2F)CC1 ZINC001331596677 1335042875 /nfs/dbraw/zinc/04/28/75/1335042875.db2.gz LKWUJDPEZTWYOA-IYBDPMFKSA-N 2 1 335.492 2.372 10 10 EECEMP COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)Cn2c[nH+]cc2C)cc1C ZINC001268383275 1182414017 /nfs/dbraw/zinc/41/40/17/1182414017.db2.gz KMJWATKAAMFXOM-OAHLLOKOSA-N 2 1 344.459 2.193 10 10 EECEMP COc1cc(O)c(C[NH2+]CCC[NH2+]Cc2cccnc2)cc1OC ZINC000841041043 1315460783 /nfs/dbraw/zinc/46/07/83/1315460783.db2.gz AYAZGXNWIRQFQS-UHFFFAOYSA-N 2 1 331.416 2.074 10 10 EECEMP COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)[C@H]2CCC[N@H+]2C)cc1C ZINC001283583612 1326145548 /nfs/dbraw/zinc/14/55/48/1326145548.db2.gz WCVHEGHMHCISHL-DOTOQJQBSA-N 2 1 333.476 2.034 10 10 EECEMP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)c1ccnn1C ZINC001351782901 1337848010 /nfs/dbraw/zinc/84/80/10/1337848010.db2.gz JPSKXRYGQADKAD-CQSZACIVSA-N 2 1 331.439 2.162 10 10 EECEMP CC[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001567974354 1124212438 /nfs/dbraw/zinc/21/24/38/1124212438.db2.gz XMJKCPICGUHWKV-ROUUACIJSA-N 2 1 347.503 2.472 10 10 EECEMP COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]2CCCC[N@H+]2C)cc1C ZINC001482319947 1185335452 /nfs/dbraw/zinc/33/54/52/1185335452.db2.gz QNAMGBQWCOLKDV-AEFFLSMTSA-N 2 1 347.503 2.424 10 10 EECEMP C[NH+](C)CCC[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)CCO1 ZINC000827850732 1248826185 /nfs/dbraw/zinc/82/61/85/1248826185.db2.gz QMHVICLRSMKJNO-HXUWFJFHSA-N 2 1 347.503 2.066 10 10 EECEMP C[NH+](C)CCC[C@@H]1C[N@@H+](Cc2ccc(N3CCOCC3)cc2)CCO1 ZINC000827850732 1248826195 /nfs/dbraw/zinc/82/61/95/1248826195.db2.gz QMHVICLRSMKJNO-HXUWFJFHSA-N 2 1 347.503 2.066 10 10 EECEMP CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001668555112 1355961617 /nfs/dbraw/zinc/96/16/17/1355961617.db2.gz IRNCKCNUHBRBMX-INIZCTEOSA-N 2 1 347.503 2.284 10 10 EECEMP COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)Cn2c[nH+]cc2C)cc1C ZINC001698839120 1405100310 /nfs/dbraw/zinc/10/03/10/1405100310.db2.gz NAHVWSLURSKGRE-OAHLLOKOSA-N 2 1 344.459 2.145 10 10 EECEMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001699761697 1405471298 /nfs/dbraw/zinc/47/12/98/1405471298.db2.gz IAOVBZKUAWPXGM-GOSISDBHSA-N 2 1 347.503 2.426 10 10 EECEMP COCC[N@H+](Cc1cc(F)cc(F)c1[O-])CC1CC[NH+](C)CC1 ZINC000895417345 684593627 /nfs/dbraw/zinc/59/36/27/684593627.db2.gz YNNOICIQRXTKMF-UHFFFAOYSA-N 2 1 328.403 2.461 10 10 EECEMP COCC[N@@H+](Cc1cc(F)cc(F)c1O)CC1CC[NH+](C)CC1 ZINC000895417345 684593628 /nfs/dbraw/zinc/59/36/28/684593628.db2.gz YNNOICIQRXTKMF-UHFFFAOYSA-N 2 1 328.403 2.461 10 10 EECEMP COCC[N@H+](Cc1cc(F)cc(F)c1O)CC1CC[NH+](C)CC1 ZINC000895417345 684593630 /nfs/dbraw/zinc/59/36/30/684593630.db2.gz YNNOICIQRXTKMF-UHFFFAOYSA-N 2 1 328.403 2.461 10 10 EECEMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H]([C@@H]4CCCO4)C3)cc2)CC1 ZINC000895845767 684746468 /nfs/dbraw/zinc/74/64/68/684746468.db2.gz IUCUMRLSZBJXCH-ICSRJNTNSA-N 2 1 329.488 2.439 10 10 EECEMP C[NH+]1CCN(c2ccc(C[N@H+]3C[C@@H]4CCC[C@]4(CO)C3)cc2)CC1 ZINC000862529357 1295869178 /nfs/dbraw/zinc/86/91/78/1295869178.db2.gz SMXMELSQXAPYRF-AZUAARDMSA-N 2 1 329.488 2.033 10 10 EECEMP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3[C@@H]4OC[C@H]5C[C@H]3C[C@H]45)cc2F)CC1 ZINC001329293882 1334621729 /nfs/dbraw/zinc/62/17/29/1334621729.db2.gz XADKUQLLBATLJT-HRYJEPKJSA-N 2 1 345.462 2.091 10 10 EECEMP COc1ccc(C[NH2+][C@@H](C)CCNC(=O)C[N@H+]2CC[C@H](C)C2)cc1C ZINC001567230525 1342713231 /nfs/dbraw/zinc/71/32/31/1342713231.db2.gz KFJBUFHPBVHXJN-RDJZCZTQSA-N 2 1 347.503 2.330 10 10 EECEMP COc1ccc(O)c(C[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)c1 ZINC000826941900 1248169318 /nfs/dbraw/zinc/16/93/18/1248169318.db2.gz MGUJIXVVXNAZHH-GOSISDBHSA-N 2 1 342.439 2.257 10 10 EECEMP Cc1cncc(CC[NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)n1 ZINC001330301565 1334820371 /nfs/dbraw/zinc/82/03/71/1334820371.db2.gz SCZUCXSADLYECU-UHFFFAOYSA-N 2 1 343.450 2.008 10 10 EECEMP CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001668555113 1355962588 /nfs/dbraw/zinc/96/25/88/1355962588.db2.gz IRNCKCNUHBRBMX-MRXNPFEDSA-N 2 1 347.503 2.284 10 10 EECEMP CCOc1cccc(C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c1O ZINC000121109001 463081465 /nfs/dbraw/zinc/08/14/65/463081465.db2.gz OWAHMXVHQBKTOO-OAHLLOKOSA-N 2 1 336.476 2.316 10 10 EECEMP COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]2CCC[N@H+]2C)cc1C ZINC001268056214 1181618280 /nfs/dbraw/zinc/61/82/80/1181618280.db2.gz RDIZNCGKDLKDMY-WBVHZDCISA-N 2 1 333.476 2.034 10 10 EECEMP C[C@@H]1C[NH+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C[C@@H](C)C1O ZINC001118658447 1308915721 /nfs/dbraw/zinc/91/57/21/1308915721.db2.gz XSWVWAULGCRZMI-HUUCEWRRSA-N 2 1 335.467 2.026 10 10 EECEMP C[NH+]1CCN(c2ccc(C[NH2+]C[C@@H]3C=C[C@H]4C[C@@H]3CO4)cc2F)CC1 ZINC001262194549 1322252982 /nfs/dbraw/zinc/25/29/82/1322252982.db2.gz VFBNVYFDGVLEQQ-KSZLIROESA-N 2 1 345.462 2.258 10 10 EECEMP COc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@H]2CCCC[N@H+]2C)cc1C ZINC001321563816 1333125148 /nfs/dbraw/zinc/12/51/48/1333125148.db2.gz NZKWQGFUQINDKW-NVXWUHKLSA-N 2 1 333.476 2.082 10 10 EECEMP C[NH+]1CCN(c2ccc(C[NH2+]C[C@@H]3CCOC3(C)C)cc2F)CC1 ZINC001328085086 1334393854 /nfs/dbraw/zinc/39/38/54/1334393854.db2.gz MAXDWXNZBAYVCB-INIZCTEOSA-N 2 1 335.467 2.482 10 10 EECEMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000843047065 1315828859 /nfs/dbraw/zinc/82/88/59/1315828859.db2.gz MUQVAZUIQBAXCA-UFRUDQCGSA-N 3 1 328.504 2.153 10 10 EECEMP CN(C)c1ccc(/C=C/C[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])cc1 ZINC000843122027 1315848021 /nfs/dbraw/zinc/84/80/21/1315848021.db2.gz NNYLBTVONGKFMP-UEKDZROGSA-N 2 1 344.503 2.085 10 10 EECEMP COc1ccc(C[NH2+][C@H](C)CCNC(=O)[C@@H]2CCCC[N@H+]2C)cc1C ZINC001317403426 1332215869 /nfs/dbraw/zinc/21/58/69/1332215869.db2.gz YEFAQQMRBUNTEX-AEFFLSMTSA-N 2 1 347.503 2.472 10 10 EECEMP C[NH+]1CCN(c2ccc(CN[C@H]3CC[NH2+]C34CCCC4)cc2F)CC1 ZINC001332358655 1335809447 /nfs/dbraw/zinc/80/94/47/1335809447.db2.gz JRJJWSTYUGCGTH-IBGZPJMESA-N 2 1 346.494 2.342 10 10 EECEMP COc1ccc(C[NH2+]CCC[C@@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)cc1C ZINC001676017637 1357089197 /nfs/dbraw/zinc/08/91/97/1357089197.db2.gz AADDXKLYACQALB-AEFFLSMTSA-N 2 1 347.503 2.330 10 10 EECEMP COc1ccc(C[NH2+]CCC[C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)cc1C ZINC001676017638 1357089320 /nfs/dbraw/zinc/08/93/20/1357089320.db2.gz AADDXKLYACQALB-FUHWJXTLSA-N 2 1 347.503 2.330 10 10 EECEMP COc1ccc(O)c([C@@H](C)[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)c1 ZINC000817984424 785133427 /nfs/dbraw/zinc/13/34/27/785133427.db2.gz YBSULZBLVXESGH-QQFBHYJXSA-N 2 1 333.476 2.268 10 10 EECEMP CN(C)c1ccc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cc1 ZINC000193450929 529780277 /nfs/dbraw/zinc/78/02/77/529780277.db2.gz JSOYWIWQQINOPQ-WCRBZPEASA-N 2 1 342.531 2.495 10 10 EECEMP COc1ccc(C[NH2+]CC[C@H](C)NC(=O)Cn2c[nH+]cc2C)cc1C ZINC001268383272 1182413056 /nfs/dbraw/zinc/41/30/56/1182413056.db2.gz KMJWATKAAMFXOM-HNNXBMFYSA-N 2 1 344.459 2.193 10 10 EECEMP CCN(CC)c1ccc(C[N@H+]2C[C@@H]3C[C@@H]([NH3+])C[C@]3(C(=O)OC)C2)cc1 ZINC000903979115 1242836646 /nfs/dbraw/zinc/83/66/46/1242836646.db2.gz VZKNMDHFFQIQRP-QKLQHJQFSA-N 2 1 345.487 2.245 10 10 EECEMP C[C@H]1C[NH+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C[C@H](C)C1O ZINC001118658446 1308915435 /nfs/dbraw/zinc/91/54/35/1308915435.db2.gz XSWVWAULGCRZMI-GJZGRUSLSA-N 2 1 335.467 2.026 10 10 EECEMP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000843296558 1315883777 /nfs/dbraw/zinc/88/37/77/1315883777.db2.gz AXLOVFJBBVXOKN-RHSMWYFYSA-N 2 1 343.475 2.279 10 10 EECEMP Cc1n[nH]cc1C[NH2+][C@@H](C)c1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC000071825359 463432698 /nfs/dbraw/zinc/43/26/98/463432698.db2.gz AEHQLHQKOPFBDA-ZDUSSCGKSA-N 2 1 331.439 2.460 10 10 EECEMP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CO[C@@H](C4CC4)C3)cc2F)CC1 ZINC001329174035 1334600556 /nfs/dbraw/zinc/60/05/56/1334600556.db2.gz RQLMYVQDMJVOTN-VQIMIIECSA-N 2 1 333.451 2.235 10 10 EECEMP COc1ccc(C[NH2+]CC[C@H](C)NC(=O)C[N@H+]2CC[C@@H](C)C2)cc1C ZINC001273019448 1194326614 /nfs/dbraw/zinc/32/66/14/1194326614.db2.gz WHDCIHHUKRXCJE-WBVHZDCISA-N 2 1 347.503 2.330 10 10 EECEMP CCC[N@@H+](Cc1cnnn1[C@@H]1CCC[NH2+]C1)Cc1ccccc1O ZINC000903889960 1242345861 /nfs/dbraw/zinc/34/58/61/1242345861.db2.gz WQMBAUVCAASKHN-MRXNPFEDSA-N 2 1 329.448 2.320 10 10 EECEMP C[NH+]1CCN(c2ccc(CN3CCC[C@]4(CC[NH2+]C4)C3)cc2F)CC1 ZINC001329433115 1334649911 /nfs/dbraw/zinc/64/99/11/1334649911.db2.gz LMZCSZVKIVAOKB-HXUWFJFHSA-N 2 1 346.494 2.153 10 10 EECEMP COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1C ZINC001666552150 1355543533 /nfs/dbraw/zinc/54/35/33/1355543533.db2.gz CKSWVWHZGAAGQB-QGPMSJSTSA-N 2 1 347.503 2.186 10 10 EECEMP COc1ccc(C[NH2+]C/C=C/CNC(=O)[C@@H]2CCCC[N@H+]2C)cc1C ZINC001668888280 1356037354 /nfs/dbraw/zinc/03/73/54/1356037354.db2.gz WBZFTTKUXASEJE-QWNKOJSDSA-N 2 1 345.487 2.250 10 10 EECEMP C[NH+]1CCN(c2ccc(C[NH2+][C@]34CCC[C@H]3OCC4)cc2F)CC1 ZINC001261889108 1322193876 /nfs/dbraw/zinc/19/38/76/1322193876.db2.gz NMYVCYLWDUWKRG-MOPGFXCFSA-N 2 1 333.451 2.379 10 10 EECEMP COc1ccc(C[NH2+]CC[C@H](C)NC(=O)Cn2cc[nH+]c2C)cc1C ZINC001320638752 1332926880 /nfs/dbraw/zinc/92/68/80/1332926880.db2.gz FNYAJCPVBSFMKA-HNNXBMFYSA-N 2 1 344.459 2.193 10 10 EECEMP CCOc1ccc(O)c(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000093148048 237046466 /nfs/dbraw/zinc/04/64/66/237046466.db2.gz HNJOODBQWJJYCY-GOSISDBHSA-N 2 1 347.503 2.393 10 10 EECEMP CCOc1ccc(O)c(C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c1 ZINC000093148048 237046474 /nfs/dbraw/zinc/04/64/74/237046474.db2.gz HNJOODBQWJJYCY-GOSISDBHSA-N 2 1 347.503 2.393 10 10 EECEMP Cc1cc(Cl)cc(C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)c1O ZINC000282402280 464804574 /nfs/dbraw/zinc/80/45/74/464804574.db2.gz RTMIQIPQZSNAIS-UHFFFAOYSA-N 2 1 325.884 2.470 10 10 EECEMP CN1CCN(c2ccc(C[NH2+][C@H]3C[C@@H]([NH3+])CC(C)(C)C3)cc2)CC1 ZINC000925763693 1206151671 /nfs/dbraw/zinc/15/16/71/1206151671.db2.gz SYNZXKGWTKNJJD-MSOLQXFVSA-N 2 1 330.520 2.434 10 10 EECEMP c1cc(N2CCOCC2)ccc1C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000841088245 1315472458 /nfs/dbraw/zinc/47/24/58/1315472458.db2.gz TYMOTOAZBMJXEQ-QUCCMNQESA-N 2 1 329.488 2.487 10 10 EECEMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001498197658 1107063414 /nfs/dbraw/zinc/06/34/14/1107063414.db2.gz UHOUDOODSSLLJV-WMZOPIPTSA-N 2 1 347.503 2.472 10 10 EECEMP C[C@H]1C[N@@H+](Cc2cc3c(cc2O)CCC3)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000763343975 577719615 /nfs/dbraw/zinc/71/96/15/577719615.db2.gz ZNLSNKWNAQUULZ-JXFKEZNVSA-N 2 1 343.515 2.339 10 10 EECEMP C[NH2+]CCOCC[N@H+](C)Cc1cc(C)cc(Br)c1O ZINC000863646789 1296364086 /nfs/dbraw/zinc/36/40/86/1296364086.db2.gz FLWYODRBEAEOEY-UHFFFAOYSA-N 2 1 331.254 2.131 10 10 EECEMP C[NH2+]CCOCC[N@@H+](C)Cc1cc(C)cc(Br)c1O ZINC000863646789 1296364097 /nfs/dbraw/zinc/36/40/97/1296364097.db2.gz FLWYODRBEAEOEY-UHFFFAOYSA-N 2 1 331.254 2.131 10 10 EECEMP CC(C)C[C@@H](CO)[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001117596156 1306122639 /nfs/dbraw/zinc/12/26/39/1306122639.db2.gz WMNDVDAHICVEBX-KRWDZBQOSA-N 2 1 337.483 2.416 10 10 EECEMP CC(C)C[C@@H](CO)[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001117596156 1306122644 /nfs/dbraw/zinc/12/26/44/1306122644.db2.gz WMNDVDAHICVEBX-KRWDZBQOSA-N 2 1 337.483 2.416 10 10 EECEMP CN(C)c1ccc(/C=C\C[N@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)cc1 ZINC000841100577 1315475899 /nfs/dbraw/zinc/47/58/99/1315475899.db2.gz ZNJGELVCUANUKO-UABKOXTMSA-N 2 1 340.475 2.153 10 10 EECEMP C[N@@H+](Cc1ccc(N2CCOCC2)c(F)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000843047069 1315829052 /nfs/dbraw/zinc/82/90/52/1315829052.db2.gz MYZKPHUETNWLPH-SJPCQFCGSA-N 2 1 333.451 2.377 10 10 EECEMP CC[C@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(F)cc1O ZINC000925850743 1206160418 /nfs/dbraw/zinc/16/04/18/1206160418.db2.gz PTJZUPCPCBELIY-ZFWWWQNUSA-N 2 1 336.407 2.257 10 10 EECEMP C[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C[C@H](C)[C@H]1O ZINC001118658448 1308915378 /nfs/dbraw/zinc/91/53/78/1308915378.db2.gz XSWVWAULGCRZMI-QWHZDKJVSA-N 2 1 335.467 2.026 10 10 EECEMP C[C@@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C[C@H](C)[C@H]1O ZINC001118658448 1308915382 /nfs/dbraw/zinc/91/53/82/1308915382.db2.gz XSWVWAULGCRZMI-QWHZDKJVSA-N 2 1 335.467 2.026 10 10 EECEMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)cc2)CC1 ZINC000843046558 1315828313 /nfs/dbraw/zinc/82/83/13/1315828313.db2.gz ZKLCORPUILYFIC-FPOVZHCZSA-N 3 1 342.531 2.402 10 10 EECEMP COc1ccc(C[NH2+]C/C=C\CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1C ZINC001568851675 1124872379 /nfs/dbraw/zinc/87/23/79/1124872379.db2.gz IYHQWNSMAXDPLS-GOVFWEMJSA-N 2 1 345.487 2.106 10 10 EECEMP CCCn1cc([C@H](C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)nn1 ZINC000903089913 694198713 /nfs/dbraw/zinc/19/87/13/694198713.db2.gz WVUYIKJNQLNZDZ-INIZCTEOSA-N 2 1 342.491 2.291 10 10 EECEMP COc1ccc(C[NH2+]CCN(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1C ZINC001691447573 1178837711 /nfs/dbraw/zinc/83/77/11/1178837711.db2.gz HIRDQHGLZQLTKV-WMZOPIPTSA-N 2 1 347.503 2.282 10 10 EECEMP c1c[nH]c(C[NH2+]Cc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)n1 ZINC000092855886 1214678723 /nfs/dbraw/zinc/67/87/23/1214678723.db2.gz XCPRCBQSPVYBCG-UHFFFAOYSA-N 2 1 325.460 2.232 10 10 EECEMP Cc1cc(Cl)cc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)c1O ZINC000289505786 464082432 /nfs/dbraw/zinc/08/24/32/464082432.db2.gz UDNTVTKGCOKNCJ-UHFFFAOYSA-N 2 1 325.884 2.423 10 10 EECEMP COc1c(O)c(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000841088479 1315472125 /nfs/dbraw/zinc/47/21/25/1315472125.db2.gz XIEPPSKARHPCOC-TZMCWYRMSA-N 2 1 335.404 2.273 10 10 EECEMP COc1c(O)c(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000841088479 1315472128 /nfs/dbraw/zinc/47/21/28/1315472128.db2.gz XIEPPSKARHPCOC-TZMCWYRMSA-N 2 1 335.404 2.273 10 10 EECEMP C[NH+]1CCN(c2ccc(C[N@@H+]3C[C@@H]4COC[C@]4(C)C3)cc2F)CC1 ZINC001261688881 1322155398 /nfs/dbraw/zinc/15/53/98/1322155398.db2.gz YIDCZJYWHJLRQL-APWZRJJASA-N 2 1 333.451 2.046 10 10 EECEMP C[NH+]1CCN(c2ccc(C[N@H+]3C[C@@H]4COC[C@]4(C)C3)cc2F)CC1 ZINC001261688881 1322155404 /nfs/dbraw/zinc/15/54/04/1322155404.db2.gz YIDCZJYWHJLRQL-APWZRJJASA-N 2 1 333.451 2.046 10 10 EECEMP COc1ccc(C[NH2+][C@@H](C)CNC(=O)C[N@@H+](C)C2CCC2)cc1C ZINC001265782906 1323378751 /nfs/dbraw/zinc/37/87/51/1323378751.db2.gz DDXJYMNMTVYMEF-HNNXBMFYSA-N 2 1 333.476 2.082 10 10 EECEMP COc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@@H]2CCCC[N@H+]2C)cc1C ZINC001669595664 1356180714 /nfs/dbraw/zinc/18/07/14/1356180714.db2.gz NZKWQGFUQINDKW-RDJZCZTQSA-N 2 1 333.476 2.082 10 10 EECEMP C[C@@H]1CCNC[C@H]1[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000817915909 785067384 /nfs/dbraw/zinc/06/73/84/785067384.db2.gz BIJWAKXZHUKSFG-DYESRHJHSA-N 2 1 342.531 2.306 10 10 EECEMP CC[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001567984050 1124216261 /nfs/dbraw/zinc/21/62/61/1124216261.db2.gz FKKDRRPUINCLOJ-ZWKOTPCHSA-N 2 1 347.503 2.330 10 10 EECEMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001699761706 1405471131 /nfs/dbraw/zinc/47/11/31/1405471131.db2.gz IAOVBZKUAWPXGM-SFHVURJKSA-N 2 1 347.503 2.426 10 10 EECEMP CN(C)c1ccc(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC000093146550 529780283 /nfs/dbraw/zinc/78/02/83/529780283.db2.gz LCKSIVRQJNYROZ-HXUWFJFHSA-N 2 1 330.520 2.355 10 10 EECEMP CN(C)c1ccc(C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)cc1 ZINC000093146550 529780284 /nfs/dbraw/zinc/78/02/84/529780284.db2.gz LCKSIVRQJNYROZ-HXUWFJFHSA-N 2 1 330.520 2.355 10 10 EECEMP C[N@H+]1CCC[C@@H](N2CC[NH+](Cc3cc4c(cc3O)CCC4)CC2)C1 ZINC000738211889 578003908 /nfs/dbraw/zinc/00/39/08/578003908.db2.gz GJRYNIISLNSVSA-LJQANCHMSA-N 2 1 329.488 2.093 10 10 EECEMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)CCN1C ZINC000775717898 577443634 /nfs/dbraw/zinc/44/36/34/577443634.db2.gz UGWHBBMBZTUQDE-XLIONFOSSA-N 2 1 330.520 2.353 10 10 EECEMP COc1ccc(C[NH2+][C@@H](C)CCNC(=O)C[C@H]2CC[N@@H+](C)C2)cc1C ZINC001485001420 1191608175 /nfs/dbraw/zinc/60/81/75/1191608175.db2.gz KEKXGVOCZICIHP-FUHWJXTLSA-N 2 1 347.503 2.330 10 10 EECEMP CCn1nc(C)c([C@@H](C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000926854981 1296942076 /nfs/dbraw/zinc/94/20/76/1296942076.db2.gz QNNKEHUWGJPRGV-OAHLLOKOSA-N 2 1 342.491 2.209 10 10 EECEMP C[NH+]1CCN(c2ccc(C[N@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)cc2)CC1 ZINC000841086514 1315471580 /nfs/dbraw/zinc/47/15/80/1315471580.db2.gz KFPIGQMVWPVTBI-PZJWPPBQSA-N 3 1 342.531 2.402 10 10 EECEMP CN1CCN(c2ccc(C[N@@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)cc2)CC1 ZINC000841086514 1315471583 /nfs/dbraw/zinc/47/15/83/1315471583.db2.gz KFPIGQMVWPVTBI-PZJWPPBQSA-N 2 1 342.531 2.402 10 10 EECEMP CN1CCN(c2ccc(C[N@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)cc2)CC1 ZINC000841086514 1315471585 /nfs/dbraw/zinc/47/15/85/1315471585.db2.gz KFPIGQMVWPVTBI-PZJWPPBQSA-N 2 1 342.531 2.402 10 10 EECEMP CN(C)c1ccc(/C=C\C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000843125477 1315849112 /nfs/dbraw/zinc/84/91/12/1315849112.db2.gz XJNSBLXIDAUGMT-DDKKJVIOSA-N 2 1 329.488 2.453 10 10 EECEMP COc1ccc(C[NH2+]CCCN(C)C(=O)[C@H]2CCCC[N@H+]2C)cc1C ZINC001498567878 1107735662 /nfs/dbraw/zinc/73/56/62/1107735662.db2.gz LMUJJWOLUUMPMC-GOSISDBHSA-N 2 1 347.503 2.426 10 10 EECEMP COc1ccc(C[NH2+][C@H]2CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]2C)cc1C ZINC001274296152 1204988080 /nfs/dbraw/zinc/98/80/80/1204988080.db2.gz AVHHBUMCPLHBCF-AEFFLSMTSA-N 2 1 347.503 2.280 10 10 EECEMP C[NH+]1CCN(c2ccc(C[NH2+]CC[C@@H]3CCCOC3)cc2F)CC1 ZINC001351341227 1337810136 /nfs/dbraw/zinc/81/01/36/1337810136.db2.gz LAYFERWIIIUBCY-INIZCTEOSA-N 2 1 335.467 2.484 10 10 EECEMP C[C@H]1CCNC[C@H]1[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000817915916 785069063 /nfs/dbraw/zinc/06/90/63/785069063.db2.gz BIJWAKXZHUKSFG-LAUBAEHRSA-N 2 1 342.531 2.306 10 10 EECEMP COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]2CCC[N@H+]2C)cc1C ZINC001268056213 1181618376 /nfs/dbraw/zinc/61/83/76/1181618376.db2.gz RDIZNCGKDLKDMY-RDJZCZTQSA-N 2 1 333.476 2.034 10 10 EECEMP c1cc(C[NH2+]Cc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)no1 ZINC000873098724 1198500164 /nfs/dbraw/zinc/50/01/64/1198500164.db2.gz NYUXUUAQXHETDK-UHFFFAOYSA-N 2 1 326.444 2.496 10 10 EECEMP C[NH+]1CCN(c2ccc(C[N@H+]3CCO[C@@H](C4CCC4)C3)cc2)CC1 ZINC000840953834 1315444599 /nfs/dbraw/zinc/44/45/99/1315444599.db2.gz BDFPBGDZFACGQT-HXUWFJFHSA-N 2 1 329.488 2.439 10 10 EECEMP CCC[N@@H+](C)CC(=O)N1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C[C@@H]1C ZINC001571490951 1343219209 /nfs/dbraw/zinc/21/92/09/1343219209.db2.gz LDUZYNAOYLVMLZ-FUHWJXTLSA-N 2 1 347.503 2.424 10 10 EECEMP