smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(NC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cc[nH+]1 ZINC000096491542 230382545 /nfs/dbraw/zinc/38/25/45/230382545.db2.gz MZWPMENBWSNXBL-CQSZACIVSA-N 2 2 288.395 2.340 50 0 CEAALP Cc1cc(C)c(CNC(=O)C2CC[NH+](C(C)C)CC2)c[nH+]1 ZINC000095510551 185001416 /nfs/dbraw/zinc/00/14/16/185001416.db2.gz YDVYLNQOZUIHJA-UHFFFAOYSA-N 2 2 289.423 2.435 50 0 CEAALP Brc1ccccc1C[NH2+]CCn1cc[nH+]c1 ZINC000041041724 362014850 /nfs/dbraw/zinc/01/48/50/362014850.db2.gz MJDXPHYFNFNTNG-UHFFFAOYSA-N 2 2 280.169 2.435 50 0 CEAALP C[C@@H](C[NH2+]Cc1ccccc1-n1cccn1)Cn1cc[nH+]c1 ZINC000075093200 343837167 /nfs/dbraw/zinc/83/71/67/343837167.db2.gz HNAHFMMNMOVJGK-HNNXBMFYSA-N 2 2 295.390 2.495 50 0 CEAALP CCCCc1nc(Cl)c(C[N@@H+]2CC[C@@H](C[NH3+])C2)[nH]1 ZINC000067649853 362914801 /nfs/dbraw/zinc/91/48/01/362914801.db2.gz AOZADIKAZVPROE-JTQLQIEISA-N 2 2 270.808 2.186 50 0 CEAALP CCCCc1nc(Cl)c(C[N@H+]2CC[C@@H](C[NH3+])C2)[nH]1 ZINC000067649853 362914805 /nfs/dbraw/zinc/91/48/05/362914805.db2.gz AOZADIKAZVPROE-JTQLQIEISA-N 2 2 270.808 2.186 50 0 CEAALP Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1C[N@@H+]3CCC[C@H]3CO1)CC2 ZINC000251240461 539792138 /nfs/dbraw/zinc/79/21/38/539792138.db2.gz QCJLKNOLAYJCHV-LZLYRXPVSA-N 2 2 286.419 2.435 50 0 CEAALP Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1C[N@H+]3CCC[C@H]3CO1)CC2 ZINC000251240461 539792140 /nfs/dbraw/zinc/79/21/40/539792140.db2.gz QCJLKNOLAYJCHV-LZLYRXPVSA-N 2 2 286.419 2.435 50 0 CEAALP Nc1[nH+]cccc1OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000072431604 363135890 /nfs/dbraw/zinc/13/58/90/363135890.db2.gz FRIYOIUFZFBGLP-QWHCGFSZSA-N 2 2 261.369 2.307 50 0 CEAALP Nc1[nH+]cccc1OC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000072431604 363135899 /nfs/dbraw/zinc/13/58/99/363135899.db2.gz FRIYOIUFZFBGLP-QWHCGFSZSA-N 2 2 261.369 2.307 50 0 CEAALP CCOCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000309891517 540345442 /nfs/dbraw/zinc/34/54/42/540345442.db2.gz MNPAQKDQZAHTQG-ZBFHGGJFSA-N 2 2 262.397 2.276 50 0 CEAALP CCOCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000309891517 540345444 /nfs/dbraw/zinc/34/54/44/540345444.db2.gz MNPAQKDQZAHTQG-ZBFHGGJFSA-N 2 2 262.397 2.276 50 0 CEAALP CN1CCc2c1[nH+]c1ccccc1c2NC(=O)CC[NH+](C)C ZINC000004093827 361300029 /nfs/dbraw/zinc/30/00/29/361300029.db2.gz WEHWGMJRNBFLAT-UHFFFAOYSA-N 2 2 298.390 2.117 50 0 CEAALP Cc1[nH+]ccn1CCC[NH+]1CCN(c2cccc(C)[nH+]2)CC1 ZINC000019148182 361521561 /nfs/dbraw/zinc/52/15/61/361521561.db2.gz XJEFHOYNWTULJX-UHFFFAOYSA-N 3 2 299.422 2.107 50 0 CEAALP COc1cccc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)n1 ZINC000237360506 370715079 /nfs/dbraw/zinc/71/50/79/370715079.db2.gz CEIPBNUGOKFPRB-CQSZACIVSA-N 2 2 298.390 2.419 50 0 CEAALP COc1cccc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)n1 ZINC000237360506 370715087 /nfs/dbraw/zinc/71/50/87/370715087.db2.gz CEIPBNUGOKFPRB-CQSZACIVSA-N 2 2 298.390 2.419 50 0 CEAALP Cc1nn(C)c(C)c1C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000237702924 370745559 /nfs/dbraw/zinc/74/55/59/370745559.db2.gz AAMIOAAFUQBRAF-UHFFFAOYSA-N 2 2 299.422 2.191 50 0 CEAALP CN1CC[N@H+](C)C[C@@H]1C[NH2+]CC1(C)CCCCCC1 ZINC000097054744 364436861 /nfs/dbraw/zinc/43/68/61/364436861.db2.gz DHPWJGPTLQTDLH-HNNXBMFYSA-N 2 2 267.461 2.182 50 0 CEAALP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]CC1(C)CCCCCC1 ZINC000097054744 364436870 /nfs/dbraw/zinc/43/68/70/364436870.db2.gz DHPWJGPTLQTDLH-HNNXBMFYSA-N 2 2 267.461 2.182 50 0 CEAALP Nc1nc(N2CCCCCCC2)cc([C@H]2C[C@@H]([NH3+])C2)[nH+]1 ZINC000244787940 370799966 /nfs/dbraw/zinc/79/99/66/370799966.db2.gz QGSWUQNGJQHKFW-TXEJJXNPSA-N 2 2 275.400 2.034 50 0 CEAALP C[NH+](C)Cc1csc(C[N@H+](C)Cc2cc[nH]n2)c1 ZINC000216124583 370183735 /nfs/dbraw/zinc/18/37/35/370183735.db2.gz ZBBURSXCILOFON-UHFFFAOYSA-N 2 2 264.398 2.165 50 0 CEAALP C[NH+](C)Cc1csc(C[N@@H+](C)Cc2cc[nH]n2)c1 ZINC000216124583 370183739 /nfs/dbraw/zinc/18/37/39/370183739.db2.gz ZBBURSXCILOFON-UHFFFAOYSA-N 2 2 264.398 2.165 50 0 CEAALP Cc1cc(CNc2cc([C@H]3CCOC3)[nH+]c(N)n2)c[nH+]c1C ZINC000299799515 379142076 /nfs/dbraw/zinc/14/20/76/379142076.db2.gz SCYKXGMJVKOFPJ-ZDUSSCGKSA-N 2 2 299.378 2.187 50 0 CEAALP c1cn2c([nH+]1)[C@@H](C[NH2+]C1CCSCC1)CCC2 ZINC000084613342 285540667 /nfs/dbraw/zinc/54/06/67/285540667.db2.gz HUBDNUSHVIEISN-LLVKDONJSA-N 2 2 251.399 2.246 50 0 CEAALP Cc1occc1C[NH+]1CCC([N@@H+]2CCC[C@H](O)C2)CC1 ZINC000020211615 171074805 /nfs/dbraw/zinc/07/48/05/171074805.db2.gz SVOKDPMFCPBOIO-INIZCTEOSA-N 2 2 278.396 2.009 50 0 CEAALP Cc1occc1C[NH+]1CCC([N@H+]2CCC[C@H](O)C2)CC1 ZINC000020211615 171074807 /nfs/dbraw/zinc/07/48/07/171074807.db2.gz SVOKDPMFCPBOIO-INIZCTEOSA-N 2 2 278.396 2.009 50 0 CEAALP OCC[NH+]1CCN(c2cc[nH+]c3ccc(Cl)cc32)CC1 ZINC000041479126 275047340 /nfs/dbraw/zinc/04/73/40/275047340.db2.gz MZYLSHZEMAAFEI-UHFFFAOYSA-N 2 2 291.782 2.003 50 0 CEAALP C[N@@H+]1CCCN(C(=O)Nc2cccc(-c3c[nH]c[nH+]3)c2)CC1 ZINC000299757185 570330020 /nfs/dbraw/zinc/33/00/20/570330020.db2.gz NPGNXRDKGNICEZ-UHFFFAOYSA-N 2 2 299.378 2.246 50 0 CEAALP C[N@H+]1CCCN(C(=O)Nc2cccc(-c3c[nH]c[nH+]3)c2)CC1 ZINC000299757185 570330025 /nfs/dbraw/zinc/33/00/25/570330025.db2.gz NPGNXRDKGNICEZ-UHFFFAOYSA-N 2 2 299.378 2.246 50 0 CEAALP Cc1n[nH]c(C)c1C[NH2+]CCn1c(C)[nH+]c2ccccc21 ZINC000036864762 361865176 /nfs/dbraw/zinc/86/51/76/361865176.db2.gz DQVJIPDUONPECE-UHFFFAOYSA-N 2 2 283.379 2.474 50 0 CEAALP Cc1noc(C)c1C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000036932232 361872536 /nfs/dbraw/zinc/87/25/36/361872536.db2.gz ARYZMMOWDZFOOC-UHFFFAOYSA-N 2 2 286.379 2.445 50 0 CEAALP CCc1[nH+]ccn1C[C@@H](C)[NH2+]CC(C)(C)[NH+]1CCCC1 ZINC000584887788 344998148 /nfs/dbraw/zinc/99/81/48/344998148.db2.gz IGZLZICSSKIICO-CQSZACIVSA-N 3 2 278.444 2.298 50 0 CEAALP c1cnn([C@H]2CCCC[C@@H]2[NH2+]CCCn2cc[nH+]c2)c1 ZINC000128323790 187363841 /nfs/dbraw/zinc/36/38/41/187363841.db2.gz CXRHCWFNECHFQD-GJZGRUSLSA-N 2 2 273.384 2.243 50 0 CEAALP CC[C@H]1CN(Cc2[nH]c[nH+]c2C)CC[N@@H+]1C(C)C ZINC000065382660 362813511 /nfs/dbraw/zinc/81/35/11/362813511.db2.gz ADXRIIIFZUOKAM-ZDUSSCGKSA-N 2 2 250.390 2.023 50 0 CEAALP CC[C@H]1CN(Cc2[nH]c[nH+]c2C)CC[N@H+]1C(C)C ZINC000065382660 362813519 /nfs/dbraw/zinc/81/35/19/362813519.db2.gz ADXRIIIFZUOKAM-ZDUSSCGKSA-N 2 2 250.390 2.023 50 0 CEAALP Cc1nc([C@H](C)n2cc[nH+]c2)n(-c2cc[nH+]c(C)c2)n1 ZINC000065407689 362819213 /nfs/dbraw/zinc/81/92/13/362819213.db2.gz VROBCRVAKGJTKV-NSHDSACASA-N 2 2 268.324 2.085 50 0 CEAALP Cn1cc[nH+]c1-c1cc2c(c(Cl)c1)O[C@@H](C[NH3+])C2 ZINC000067885830 362930023 /nfs/dbraw/zinc/93/00/23/362930023.db2.gz JXKQESHQXXCERL-SNVBAGLBSA-N 2 2 263.728 2.003 50 0 CEAALP CCCCn1cc[nH+]c1C1CC[NH+](CCCO)CC1 ZINC000091585928 180199514 /nfs/dbraw/zinc/19/95/14/180199514.db2.gz TXPZAWDHDWIPHZ-UHFFFAOYSA-N 2 2 265.401 2.245 50 0 CEAALP COc1ccccc1C[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000079060528 363571569 /nfs/dbraw/zinc/57/15/69/363571569.db2.gz BKPAIXZCXPMQFC-JSGCOSHPSA-N 2 2 260.381 2.410 50 0 CEAALP COc1ccccc1C[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000079060528 363571573 /nfs/dbraw/zinc/57/15/73/363571573.db2.gz BKPAIXZCXPMQFC-JSGCOSHPSA-N 2 2 260.381 2.410 50 0 CEAALP Cc1cccc(OC2C[NH+](CCc3[nH+]ccn3C)C2)c1 ZINC000670460956 540421167 /nfs/dbraw/zinc/42/11/67/540421167.db2.gz AFIOXEKUOYNUJS-UHFFFAOYSA-N 2 2 271.364 2.034 50 0 CEAALP c1cnn(CCC[NH+]2CCC(Oc3cc[nH+]cc3)CC2)c1 ZINC000670457253 540419935 /nfs/dbraw/zinc/41/99/35/540419935.db2.gz QNPMASPGLIYWDA-UHFFFAOYSA-N 2 2 286.379 2.212 50 0 CEAALP CCOc1ccc(C[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000003334180 361275127 /nfs/dbraw/zinc/27/51/27/361275127.db2.gz PSIBKQPCZLPSCT-UHFFFAOYSA-N 2 2 259.353 2.462 50 0 CEAALP COc1ccc(C[NH2+]C[C@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC000025561689 361628653 /nfs/dbraw/zinc/62/86/53/361628653.db2.gz XGIDIXRNVHXTPT-KRWDZBQOSA-N 2 2 292.423 2.142 50 0 CEAALP COc1ccc(C[NH2+]C[C@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC000025561689 361628662 /nfs/dbraw/zinc/62/86/62/361628662.db2.gz XGIDIXRNVHXTPT-KRWDZBQOSA-N 2 2 292.423 2.142 50 0 CEAALP CCc1cc(NC[C@@H](c2ccco2)[NH+](C)C)nc[nH+]1 ZINC000095354510 364342790 /nfs/dbraw/zinc/34/27/90/364342790.db2.gz YLZQOSFMIHRAIH-LBPRGKRZSA-N 2 2 260.341 2.347 50 0 CEAALP CC(C)[C@@H]1CN(c2cc[nH+]cc2F)C[C@H]1[NH+](C)C ZINC000095381952 364353459 /nfs/dbraw/zinc/35/34/59/364353459.db2.gz LYLQRCCSUGAZML-SMDDNHRTSA-N 2 2 251.349 2.243 50 0 CEAALP Cc1nc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)oc1C ZINC000095428242 364372656 /nfs/dbraw/zinc/37/26/56/364372656.db2.gz OOAJYJPTQYEIIJ-CQSZACIVSA-N 2 2 273.336 2.340 50 0 CEAALP Cc1nc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)oc1C ZINC000095428242 364372663 /nfs/dbraw/zinc/37/26/63/364372663.db2.gz OOAJYJPTQYEIIJ-CQSZACIVSA-N 2 2 273.336 2.340 50 0 CEAALP CCC[N@@H+]1CCC[C@H]1c1nc([C@@H](C)n2cc[nH+]c2)no1 ZINC000097164407 364470989 /nfs/dbraw/zinc/47/09/89/364470989.db2.gz OGRVCQRACMIORD-NEPJUHHUSA-N 2 2 275.356 2.422 50 0 CEAALP CCC[N@H+]1CCC[C@H]1c1nc([C@@H](C)n2cc[nH+]c2)no1 ZINC000097164407 364470994 /nfs/dbraw/zinc/47/09/94/364470994.db2.gz OGRVCQRACMIORD-NEPJUHHUSA-N 2 2 275.356 2.422 50 0 CEAALP Cc1nnc(C[N@H+]2CCCC[C@H]2CCn2cc[nH+]c2C)o1 ZINC000244659643 370794608 /nfs/dbraw/zinc/79/46/08/370794608.db2.gz HGIFOAYTIAONIY-AWEZNQCLSA-N 2 2 289.383 2.328 50 0 CEAALP c1cc2c(nc[nH+]c2N2CC[C@H]([NH+]3CCCCC3)C2)[nH]1 ZINC000341129586 367186379 /nfs/dbraw/zinc/18/63/79/367186379.db2.gz QGRGGQFAYUJXSD-LBPRGKRZSA-N 2 2 271.368 2.023 50 0 CEAALP Cc1cc(N)nc(SCCC[NH+]2CCCCC2)[nH+]1 ZINC000187671191 369199107 /nfs/dbraw/zinc/19/91/07/369199107.db2.gz IFFVHGVPXMXWTD-UHFFFAOYSA-N 2 2 266.414 2.335 50 0 CEAALP C[C@@H]([NH2+]CC[C@@H]1CCOC1=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000189906039 369578545 /nfs/dbraw/zinc/57/85/45/369578545.db2.gz GSARZVKHMGPQER-ZIAGYGMSSA-N 2 2 299.374 2.476 50 0 CEAALP COc1cc(F)c(C[N@H+](C)C[C@@H]2CC[NH+](C)C2)cc1OC ZINC000216152399 370184198 /nfs/dbraw/zinc/18/41/98/370184198.db2.gz OVMBETNXCRPVBA-GFCCVEGCSA-N 2 2 296.386 2.226 50 0 CEAALP COc1cc(F)c(C[N@@H+](C)C[C@@H]2CC[NH+](C)C2)cc1OC ZINC000216152399 370184205 /nfs/dbraw/zinc/18/42/05/370184205.db2.gz OVMBETNXCRPVBA-GFCCVEGCSA-N 2 2 296.386 2.226 50 0 CEAALP COc1cc(F)c(C[NH+](C)C[C@@H]2CC[N@H+](C)C2)cc1OC ZINC000216152399 370184211 /nfs/dbraw/zinc/18/42/11/370184211.db2.gz OVMBETNXCRPVBA-GFCCVEGCSA-N 2 2 296.386 2.226 50 0 CEAALP COc1cc(F)c(C[NH+](C)C[C@@H]2CC[N@@H+](C)C2)cc1OC ZINC000216152399 370184217 /nfs/dbraw/zinc/18/42/17/370184217.db2.gz OVMBETNXCRPVBA-GFCCVEGCSA-N 2 2 296.386 2.226 50 0 CEAALP COC[C@@H](C)[N@@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000248662632 371232906 /nfs/dbraw/zinc/23/29/06/371232906.db2.gz YNXQRIALMNTBIF-OCCSQVGLSA-N 2 2 297.468 2.240 50 0 CEAALP COC[C@@H](C)[N@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000248662632 371232912 /nfs/dbraw/zinc/23/29/12/371232912.db2.gz YNXQRIALMNTBIF-OCCSQVGLSA-N 2 2 297.468 2.240 50 0 CEAALP COC[C@@H](C)[NH+]1CC[C@@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000248662632 371232918 /nfs/dbraw/zinc/23/29/18/371232918.db2.gz YNXQRIALMNTBIF-OCCSQVGLSA-N 2 2 297.468 2.240 50 0 CEAALP COC[C@@H](C)[NH+]1CC[C@@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000248662632 371232925 /nfs/dbraw/zinc/23/29/25/371232925.db2.gz YNXQRIALMNTBIF-OCCSQVGLSA-N 2 2 297.468 2.240 50 0 CEAALP CC(C)(C[N@@H+]1CCCOCC1)[NH2+]Cc1ccccc1 ZINC000408525866 375512548 /nfs/dbraw/zinc/51/25/48/375512548.db2.gz ARRYABJSINKESW-UHFFFAOYSA-N 2 2 262.397 2.277 50 0 CEAALP CC(C)(C[N@H+]1CCCOCC1)[NH2+]Cc1ccccc1 ZINC000408525866 375512552 /nfs/dbraw/zinc/51/25/52/375512552.db2.gz ARRYABJSINKESW-UHFFFAOYSA-N 2 2 262.397 2.277 50 0 CEAALP Cc1ccc(CCNc2cc(C3CC([NH3+])C3)[nH+]c(N)n2)cc1 ZINC000219972614 394461111 /nfs/dbraw/zinc/46/11/11/394461111.db2.gz UGBLBCWZHCHOSR-UHFFFAOYSA-N 2 2 297.406 2.227 50 0 CEAALP CC(C)SCC[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000253393823 394577845 /nfs/dbraw/zinc/57/78/45/394577845.db2.gz HSQCWGJXSMBONF-HNNXBMFYSA-N 2 2 286.485 2.172 50 0 CEAALP CC(C)SCC[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000253393823 394577849 /nfs/dbraw/zinc/57/78/49/394577849.db2.gz HSQCWGJXSMBONF-HNNXBMFYSA-N 2 2 286.485 2.172 50 0 CEAALP Cc1cc(C)n(C[C@H](C)C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)n1 ZINC000108113308 400267611 /nfs/dbraw/zinc/26/76/11/400267611.db2.gz BVZMLXMXDRUCTQ-XNRPHZJLSA-N 2 2 290.455 2.351 50 0 CEAALP Cc1cc(C)n(C[C@H](C)C[NH2+][C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)n1 ZINC000108113308 400267618 /nfs/dbraw/zinc/26/76/18/400267618.db2.gz BVZMLXMXDRUCTQ-XNRPHZJLSA-N 2 2 290.455 2.351 50 0 CEAALP C[NH2+]CCC[NH2+]Cc1cc(Cl)cc(OC)c1OC ZINC000040719430 174385145 /nfs/dbraw/zinc/38/51/45/174385145.db2.gz DQCGGKFDZYQIBD-UHFFFAOYSA-N 2 2 272.776 2.056 50 0 CEAALP Cn1ccnc1C[N@@H+]1CCCC[C@@H]1CCc1[nH+]ccn1C ZINC000077300967 177250584 /nfs/dbraw/zinc/25/05/84/177250584.db2.gz FBPHBVLXTYYQKI-CQSZACIVSA-N 2 2 287.411 2.141 50 0 CEAALP Cn1ccnc1C[N@H+]1CCCC[C@@H]1CCc1[nH+]ccn1C ZINC000077300967 177250585 /nfs/dbraw/zinc/25/05/85/177250585.db2.gz FBPHBVLXTYYQKI-CQSZACIVSA-N 2 2 287.411 2.141 50 0 CEAALP Cc1nc(N2CC[C@@H]([NH+]3CCCCC3)C2)c(C)c(C)[nH+]1 ZINC000091425817 281866102 /nfs/dbraw/zinc/86/61/02/281866102.db2.gz PFJOFTMWAZGXCQ-OAHLLOKOSA-N 2 2 274.412 2.466 50 0 CEAALP C[C@H]1CCCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)[C@@H]1C[NH3+] ZINC000156926693 526267023 /nfs/dbraw/zinc/26/70/23/526267023.db2.gz SOOZZLYONFEREC-XJKSGUPXSA-N 2 2 298.390 2.072 50 0 CEAALP COCC[N@H+](C)C[C@@H]1CCCN1c1cc[nH+]c(C(C)C)n1 ZINC000095944996 185037869 /nfs/dbraw/zinc/03/78/69/185037869.db2.gz BXZCTGUPAFARLW-AWEZNQCLSA-N 2 2 292.427 2.147 50 0 CEAALP COCC[N@@H+](C)C[C@@H]1CCCN1c1cc[nH+]c(C(C)C)n1 ZINC000095944996 185037870 /nfs/dbraw/zinc/03/78/70/185037870.db2.gz BXZCTGUPAFARLW-AWEZNQCLSA-N 2 2 292.427 2.147 50 0 CEAALP C[C@@H]1CC[N@H+](CCc2ccccn2)C[C@@H]1n1cc[nH+]c1 ZINC000095981738 185053946 /nfs/dbraw/zinc/05/39/46/185053946.db2.gz LPYCHHMQTNINJR-ZBFHGGJFSA-N 2 2 270.380 2.404 50 0 CEAALP C[C@@H]1CC[N@@H+](CCc2ccccn2)C[C@@H]1n1cc[nH+]c1 ZINC000095981738 185053948 /nfs/dbraw/zinc/05/39/48/185053948.db2.gz LPYCHHMQTNINJR-ZBFHGGJFSA-N 2 2 270.380 2.404 50 0 CEAALP CC(C)C1CCN(c2cc(C3CC([NH3+])C3)[nH+]c(N)n2)CC1 ZINC000219389408 136583336 /nfs/dbraw/zinc/58/33/36/136583336.db2.gz ZKLASWPHHKPOFM-UHFFFAOYSA-N 2 2 289.427 2.136 50 0 CEAALP CN(C)c1cc(N(C)Cc2cccc(C[NH+](C)C)c2)nc[nH+]1 ZINC000065376144 362811991 /nfs/dbraw/zinc/81/19/91/362811991.db2.gz MFSXWOXKQKTPMK-UHFFFAOYSA-N 2 2 299.422 2.241 50 0 CEAALP CN(C)c1cc(N(C)Cc2cccc(C[NH+](C)C)c2)[nH+]cn1 ZINC000065376144 362811998 /nfs/dbraw/zinc/81/19/98/362811998.db2.gz MFSXWOXKQKTPMK-UHFFFAOYSA-N 2 2 299.422 2.241 50 0 CEAALP Cc1nc(N(C)C[C@H](C)[NH+]2CCOCC2)cc(C(C)C)[nH+]1 ZINC000065394212 362815652 /nfs/dbraw/zinc/81/56/52/362815652.db2.gz ZAOVYRDEMHLXPC-ZDUSSCGKSA-N 2 2 292.427 2.065 50 0 CEAALP Cc1cccc([C@@H](C[NH2+]C2CCOCC2)[NH+](C)C)c1 ZINC000065430641 362821634 /nfs/dbraw/zinc/82/16/34/362821634.db2.gz SNVPLTXIHWIINN-MRXNPFEDSA-N 2 2 262.397 2.366 50 0 CEAALP c1cn(-c2ccc(O[C@@]34CC[N@@H+](C3)CCC4)cc2)c[nH+]1 ZINC000067820180 362927253 /nfs/dbraw/zinc/92/72/53/362927253.db2.gz FFLMQWZCSAIHAC-INIZCTEOSA-N 2 2 269.348 2.489 50 0 CEAALP CC[NH+](CC)CCn1cc[nH+]c1-c1ccc2nonc2c1 ZINC000067770009 362922603 /nfs/dbraw/zinc/92/26/03/362922603.db2.gz BGAQCCFUGGXKEL-UHFFFAOYSA-N 2 2 285.351 2.428 50 0 CEAALP O=C(C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)Nc1ccccc1 ZINC000080959312 363689924 /nfs/dbraw/zinc/68/99/24/363689924.db2.gz HJTFCCVKLIYXCJ-ZDUSSCGKSA-N 2 2 284.363 2.228 50 0 CEAALP O=C(C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)Nc1ccccc1 ZINC000080959312 363689928 /nfs/dbraw/zinc/68/99/28/363689928.db2.gz HJTFCCVKLIYXCJ-ZDUSSCGKSA-N 2 2 284.363 2.228 50 0 CEAALP CCC[NH+]1CCC([NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000000219953 361147789 /nfs/dbraw/zinc/14/77/89/361147789.db2.gz NMHCRMXVMZBEKF-UHFFFAOYSA-N 2 2 288.439 2.078 50 0 CEAALP C[C@@H]1CCCC[N@@H+]1CCCNc1[nH+]cnc2c1cnn2C ZINC000014266580 361455972 /nfs/dbraw/zinc/45/59/72/361455972.db2.gz SNHMLKCJVVJRQZ-GFCCVEGCSA-N 2 2 288.399 2.040 50 0 CEAALP C[C@@H]1CCCC[N@H+]1CCCNc1[nH+]cnc2c1cnn2C ZINC000014266580 361455980 /nfs/dbraw/zinc/45/59/80/361455980.db2.gz SNHMLKCJVVJRQZ-GFCCVEGCSA-N 2 2 288.399 2.040 50 0 CEAALP C[C@H]1C[N@H+](Cc2cc(Cl)c3c(c2)OCCO3)CC[C@@H]1[NH3+] ZINC000094341951 364269026 /nfs/dbraw/zinc/26/90/26/364269026.db2.gz FSBFZSQNIYJGFS-GWCFXTLKSA-N 2 2 296.798 2.280 50 0 CEAALP C[C@H]1C[N@@H+](Cc2cc(Cl)c3c(c2)OCCO3)CC[C@@H]1[NH3+] ZINC000094341951 364269030 /nfs/dbraw/zinc/26/90/30/364269030.db2.gz FSBFZSQNIYJGFS-GWCFXTLKSA-N 2 2 296.798 2.280 50 0 CEAALP CCSCCC[NH2+][C@H]1CCc2[nH+]c(C)cn2C1 ZINC000097082144 364441781 /nfs/dbraw/zinc/44/17/81/364441781.db2.gz AWNNFXHYSPPUCL-LBPRGKRZSA-N 2 2 253.415 2.239 50 0 CEAALP COC(=O)C(C)(C)C(C)(C)[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000097037839 364427123 /nfs/dbraw/zinc/42/71/23/364427123.db2.gz QEBODRNPGCIZAJ-RYUDHWBXSA-N 2 2 282.428 2.179 50 0 CEAALP COC(=O)C(C)(C)C(C)(C)[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000097037839 364427128 /nfs/dbraw/zinc/42/71/28/364427128.db2.gz QEBODRNPGCIZAJ-RYUDHWBXSA-N 2 2 282.428 2.179 50 0 CEAALP C[C@@H](c1ccsc1)[NH+]1CCN(CCn2cc[nH+]c2)CC1 ZINC000097142279 364463283 /nfs/dbraw/zinc/46/32/83/364463283.db2.gz WPDQLMMLGXMAAM-AWEZNQCLSA-N 2 2 290.436 2.323 50 0 CEAALP Cc1cccc(NC[C@H]2CC[N@@H+](Cc3nccn3C)C2)[nH+]1 ZINC000097200914 364476540 /nfs/dbraw/zinc/47/65/40/364476540.db2.gz TYPMZRVEVVGYCY-CQSZACIVSA-N 2 2 285.395 2.058 50 0 CEAALP Cc1cccc(NC[C@H]2CC[N@H+](Cc3nccn3C)C2)[nH+]1 ZINC000097200914 364476545 /nfs/dbraw/zinc/47/65/45/364476545.db2.gz TYPMZRVEVVGYCY-CQSZACIVSA-N 2 2 285.395 2.058 50 0 CEAALP CCOC(=O)/C=C/c1ccc([C@H]2CCC[N@@H+]2CC[NH3+])cc1 ZINC000097463407 364504787 /nfs/dbraw/zinc/50/47/87/364504787.db2.gz LIYIADSINKUERW-OJXHRBAXSA-N 2 2 288.391 2.359 50 0 CEAALP CCOC(=O)/C=C/c1ccc([C@H]2CCC[N@H+]2CC[NH3+])cc1 ZINC000097463407 364504794 /nfs/dbraw/zinc/50/47/94/364504794.db2.gz LIYIADSINKUERW-OJXHRBAXSA-N 2 2 288.391 2.359 50 0 CEAALP CC[NH+](CC)[C@@H]1CCN(Cc2c[nH+]cn2CC(C)C)C1 ZINC000244858485 370801194 /nfs/dbraw/zinc/80/11/94/370801194.db2.gz VMCDFPLJRPNNJH-OAHLLOKOSA-N 2 2 278.444 2.455 50 0 CEAALP C[C@H]([NH2+]CC[C@@H]1CCOC1=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000189906021 369578729 /nfs/dbraw/zinc/57/87/29/369578729.db2.gz GSARZVKHMGPQER-UONOGXRCSA-N 2 2 299.374 2.476 50 0 CEAALP C[NH+](C)[C@@H]1CCCN(Cc2c[nH+]cn2Cc2ccccc2)C1 ZINC000252481389 371443158 /nfs/dbraw/zinc/44/31/58/371443158.db2.gz CKIVFSLWMKVFPM-QGZVFWFLSA-N 2 2 298.434 2.457 50 0 CEAALP C[NH+](C)Cc1cccc(C(=O)NCc2c[nH+]cn2C2CC2)c1 ZINC000426405868 377405801 /nfs/dbraw/zinc/40/58/01/377405801.db2.gz ZXAPOSFKJADKOD-UHFFFAOYSA-N 2 2 298.390 2.210 50 0 CEAALP COc1ccc([C@H]([NH3+])[C@@H]([NH3+])c2ccc(OC)cc2)cc1 ZINC000096482542 533189943 /nfs/dbraw/zinc/18/99/43/533189943.db2.gz ZWMPRHYHRAUVGY-HOTGVXAUSA-N 2 2 272.348 2.404 50 0 CEAALP CC1(C[NH2+]C2CC[NH+](Cc3ccc(F)cc3)CC2)COC1 ZINC000375688005 157122435 /nfs/dbraw/zinc/12/24/35/157122435.db2.gz HVGBQCWEKMIGMH-UHFFFAOYSA-N 2 2 292.398 2.416 50 0 CEAALP COc1ccc(C[NH2+]CC[NH2+][C@@H]2CCOC(C)(C)C2)cc1 ZINC000020760402 171272223 /nfs/dbraw/zinc/27/22/23/171272223.db2.gz AYCLXTMVMKDGHX-OAHLLOKOSA-N 2 2 292.423 2.332 50 0 CEAALP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1Cc1[nH+]ccn1C ZINC000071897369 176292874 /nfs/dbraw/zinc/29/28/74/176292874.db2.gz FIIYQMDUMSMWAQ-OAHLLOKOSA-N 2 2 284.407 2.126 50 0 CEAALP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1[nH+]ccn1C ZINC000071897369 176292876 /nfs/dbraw/zinc/29/28/76/176292876.db2.gz FIIYQMDUMSMWAQ-OAHLLOKOSA-N 2 2 284.407 2.126 50 0 CEAALP CCn1nc(C)c(C[NH2+]C[C@@H]2CCCn3cc[nH+]c32)c1C ZINC000089300184 276721680 /nfs/dbraw/zinc/72/16/80/276721680.db2.gz LUCUTKUNVWHMRU-AWEZNQCLSA-N 2 2 287.411 2.384 50 0 CEAALP C[C@@H](C[N@H+](C)CCO)[NH2+]C1(Cc2ccc(Cl)cc2)CC1 ZINC000534645472 328330495 /nfs/dbraw/zinc/33/04/95/328330495.db2.gz ZNLIHIREQWUVAP-ZDUSSCGKSA-N 2 2 296.842 2.317 50 0 CEAALP C[C@@H](C[N@@H+](C)CCO)[NH2+]C1(Cc2ccc(Cl)cc2)CC1 ZINC000534645472 328330496 /nfs/dbraw/zinc/33/04/96/328330496.db2.gz ZNLIHIREQWUVAP-ZDUSSCGKSA-N 2 2 296.842 2.317 50 0 CEAALP CCCc1[nH+]ccn1C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000095974648 185050144 /nfs/dbraw/zinc/05/01/44/185050144.db2.gz CNPOKKXQIDJTHL-KRWDZBQOSA-N 2 2 299.418 2.255 50 0 CEAALP CCCc1[nH+]ccn1C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000095974648 185050146 /nfs/dbraw/zinc/05/01/46/185050146.db2.gz CNPOKKXQIDJTHL-KRWDZBQOSA-N 2 2 299.418 2.255 50 0 CEAALP COCc1nc(C[NH2+]C[C@H]2CCCn3cc[nH+]c32)cs1 ZINC000083914971 344080075 /nfs/dbraw/zinc/08/00/75/344080075.db2.gz WAUCGGFHIADGQN-LLVKDONJSA-N 2 2 292.408 2.153 50 0 CEAALP Cc1[nH+]c[nH]c1C[N@@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000584886870 344998106 /nfs/dbraw/zinc/99/81/06/344998106.db2.gz ZBERCIVRBQWZRS-AWEZNQCLSA-N 2 2 257.337 2.371 50 0 CEAALP Cc1[nH+]c[nH]c1C[N@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000584886870 344998107 /nfs/dbraw/zinc/99/81/07/344998107.db2.gz ZBERCIVRBQWZRS-AWEZNQCLSA-N 2 2 257.337 2.371 50 0 CEAALP CCc1nc(C[NH2+][C@@H](C)Cn2cc[nH+]c2C)cs1 ZINC000584897210 345002022 /nfs/dbraw/zinc/00/20/22/345002022.db2.gz WRRMILNKQNYIIA-JTQLQIEISA-N 2 2 264.398 2.389 50 0 CEAALP C[NH+](C)CCN(Cc1ccsc1)Cc1[nH]cc[nH+]1 ZINC000055309858 362547692 /nfs/dbraw/zinc/54/76/92/362547692.db2.gz DAEZNERWRXIPLK-UHFFFAOYSA-N 2 2 264.398 2.035 50 0 CEAALP COC[C@@H](C)[NH2+]CCCc1[nH]c2ccc(F)cc2[nH+]1 ZINC000067818556 362927112 /nfs/dbraw/zinc/92/71/12/362927112.db2.gz KJMDYNSMAVSRRK-SNVBAGLBSA-N 2 2 265.332 2.259 50 0 CEAALP Cc1cc[nH+]c(C[C@H](C)N(C)c2cc(CC[NH3+])nc(C)n2)c1 ZINC000067981937 362934517 /nfs/dbraw/zinc/93/45/17/362934517.db2.gz KHYASQBDDCRSBA-ZDUSSCGKSA-N 2 2 299.422 2.057 50 0 CEAALP CN(C)c1[nH+]cc(C[NH2+][C@H]2CCCc3occc32)n1C ZINC000070142916 363035159 /nfs/dbraw/zinc/03/51/59/363035159.db2.gz JLIJILAHMVPTFK-ZDUSSCGKSA-N 2 2 274.368 2.246 50 0 CEAALP CN(C)c1[nH+]cc(C[NH2+][C@@H]2CCCc3occc32)n1C ZINC000070142914 363035603 /nfs/dbraw/zinc/03/56/03/363035603.db2.gz JLIJILAHMVPTFK-CYBMUJFWSA-N 2 2 274.368 2.246 50 0 CEAALP Cc1cccn2c(C[NH2+]C3(CO)CCCC3)c[nH+]c12 ZINC000079051423 363570910 /nfs/dbraw/zinc/57/09/10/363570910.db2.gz WNVWQMWPSQLQDX-UHFFFAOYSA-N 2 2 259.353 2.037 50 0 CEAALP CC(C)[NH2+]CC(=O)Nc1cc(N(C)C)[nH+]c2ccccc12 ZINC000000355055 361165281 /nfs/dbraw/zinc/16/52/81/361165281.db2.gz BULDUEZDXGQTHE-UHFFFAOYSA-N 2 2 286.379 2.237 50 0 CEAALP OC[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000003683576 361287918 /nfs/dbraw/zinc/28/79/18/361287918.db2.gz XSWPYIXKJZYSFI-QGZVFWFLSA-N 2 2 288.435 2.355 50 0 CEAALP OC[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000003683576 361287923 /nfs/dbraw/zinc/28/79/23/361287923.db2.gz XSWPYIXKJZYSFI-QGZVFWFLSA-N 2 2 288.435 2.355 50 0 CEAALP Cn1cc[nH+]c1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000013694410 361437312 /nfs/dbraw/zinc/43/73/12/361437312.db2.gz VFZDWOZCRSOJOG-UHFFFAOYSA-N 2 2 290.798 2.396 50 0 CEAALP CC(C)([NH3+])C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000019685462 361546692 /nfs/dbraw/zinc/54/66/92/361546692.db2.gz LVWYYMVLJDHFER-UHFFFAOYSA-N 2 2 267.804 2.199 50 0 CEAALP Cc1cc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)no1 ZINC000089604794 363983119 /nfs/dbraw/zinc/98/31/19/363983119.db2.gz IJVCRVXGVUEKKY-CQSZACIVSA-N 2 2 259.309 2.031 50 0 CEAALP Cc1cc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)no1 ZINC000089604794 363983122 /nfs/dbraw/zinc/98/31/22/363983122.db2.gz IJVCRVXGVUEKKY-CQSZACIVSA-N 2 2 259.309 2.031 50 0 CEAALP CC1(C)C[C@H]([NH2+][C@H]2CC[N@H+](CC3CC3)C2)C(C)(C)O1 ZINC000095422203 364370160 /nfs/dbraw/zinc/37/01/60/364370160.db2.gz MFEYQFQKRLINOW-KBPBESRZSA-N 2 2 266.429 2.406 50 0 CEAALP CC1(C)C[C@H]([NH2+][C@H]2CC[N@@H+](CC3CC3)C2)C(C)(C)O1 ZINC000095422203 364370162 /nfs/dbraw/zinc/37/01/62/364370162.db2.gz MFEYQFQKRLINOW-KBPBESRZSA-N 2 2 266.429 2.406 50 0 CEAALP CC[N@@H+]1CC[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[NH+]3C)[C@H](C)C1 ZINC000245339327 370808690 /nfs/dbraw/zinc/80/86/90/370808690.db2.gz SARVBRDOJFVVRO-ZCRFILTFSA-N 3 2 279.472 2.322 50 0 CEAALP CC[N@H+]1CC[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[NH+]3C)[C@H](C)C1 ZINC000245339327 370808698 /nfs/dbraw/zinc/80/86/98/370808698.db2.gz SARVBRDOJFVVRO-ZCRFILTFSA-N 3 2 279.472 2.322 50 0 CEAALP CC[NH+]1CC[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@H](C)C1 ZINC000245339327 370808705 /nfs/dbraw/zinc/80/87/05/370808705.db2.gz SARVBRDOJFVVRO-ZCRFILTFSA-N 3 2 279.472 2.322 50 0 CEAALP CC[NH+]1CC[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[C@H](C)C1 ZINC000245339327 370808714 /nfs/dbraw/zinc/80/87/14/370808714.db2.gz SARVBRDOJFVVRO-ZCRFILTFSA-N 3 2 279.472 2.322 50 0 CEAALP Cc1cccc(N2CC[N@H+](Cc3ccncc3)[C@@H](C)C2)[nH+]1 ZINC000195530861 370137123 /nfs/dbraw/zinc/13/71/23/370137123.db2.gz BDNZMJLAFRLSIB-HNNXBMFYSA-N 2 2 282.391 2.496 50 0 CEAALP Cc1cccc(N2CC[N@@H+](Cc3ccncc3)[C@@H](C)C2)[nH+]1 ZINC000195530861 370137128 /nfs/dbraw/zinc/13/71/28/370137128.db2.gz BDNZMJLAFRLSIB-HNNXBMFYSA-N 2 2 282.391 2.496 50 0 CEAALP Cc1[nH+]ccn1CC[N@@H+](C)C[C@H]1CC(c2ccccc2)=NO1 ZINC000252503707 371449124 /nfs/dbraw/zinc/44/91/24/371449124.db2.gz VFWDCJJPVDWJHB-MRXNPFEDSA-N 2 2 298.390 2.317 50 0 CEAALP Cc1[nH+]ccn1CC[N@H+](C)C[C@H]1CC(c2ccccc2)=NO1 ZINC000252503707 371449130 /nfs/dbraw/zinc/44/91/30/371449130.db2.gz VFWDCJJPVDWJHB-MRXNPFEDSA-N 2 2 298.390 2.317 50 0 CEAALP COc1ccc(C[NH2+]CC[NH2+][C@H]2CCOC(C)(C)C2)cc1 ZINC000020760407 171272348 /nfs/dbraw/zinc/27/23/48/171272348.db2.gz AYCLXTMVMKDGHX-HNNXBMFYSA-N 2 2 292.423 2.332 50 0 CEAALP C[NH+](C)C1CC[NH+](C[C@H](O)c2ccccc2Cl)CC1 ZINC000040528248 174315674 /nfs/dbraw/zinc/31/56/74/174315674.db2.gz XVWBXTQVRGLSCK-HNNXBMFYSA-N 2 2 282.815 2.399 50 0 CEAALP CCC[NH+]1CCC([N@H+](C)Cc2ccc(C(=O)OC)o2)CC1 ZINC000071897206 176293038 /nfs/dbraw/zinc/29/30/38/176293038.db2.gz WECIYRAEOLJUNY-UHFFFAOYSA-N 2 2 294.395 2.372 50 0 CEAALP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(C(=O)OC)o2)CC1 ZINC000071897206 176293040 /nfs/dbraw/zinc/29/30/40/176293040.db2.gz WECIYRAEOLJUNY-UHFFFAOYSA-N 2 2 294.395 2.372 50 0 CEAALP CC1(C)COC2(CC[NH+](CCCn3cc[nH+]c3)CC2)OC1 ZINC000096493065 529131031 /nfs/dbraw/zinc/13/10/31/529131031.db2.gz HLLAWOHYSLDNHT-UHFFFAOYSA-N 2 2 293.411 2.138 50 0 CEAALP CS[C@H](C)C[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000090726499 631457210 /nfs/dbraw/zinc/45/72/10/631457210.db2.gz NJQWSEDMCLFXIE-CYBMUJFWSA-N 2 2 279.453 2.387 50 0 CEAALP Fc1cccc([C@@]2(C[NH2+]CC[NH+]3CCCC3)CCOC2)c1 ZINC000095511994 185001586 /nfs/dbraw/zinc/00/15/86/185001586.db2.gz RZOFCRRWJHVKCT-QGZVFWFLSA-N 2 2 292.398 2.169 50 0 CEAALP Fc1c[nH+]ccc1NCC1CC[NH+](CC2CC2)CC1 ZINC000584901787 345004195 /nfs/dbraw/zinc/00/41/95/345004195.db2.gz VVFQSLARGKYBMJ-UHFFFAOYSA-N 2 2 263.360 2.177 50 0 CEAALP Clc1c[nH+]ccc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000084615028 539516527 /nfs/dbraw/zinc/51/65/27/539516527.db2.gz HKNIDAFYWPQBHP-GFCCVEGCSA-N 2 2 281.787 2.036 50 0 CEAALP CCCc1nc(N2[C@@H]3CC[C@H]2C[NH2+]CC3)cc(C)[nH+]1 ZINC000065460462 362824400 /nfs/dbraw/zinc/82/44/00/362824400.db2.gz WBVLFNDNAVYXOE-OLZOCXBDSA-N 2 2 260.385 2.068 50 0 CEAALP CCCn1cc[nH+]c1CN1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000067946724 362933198 /nfs/dbraw/zinc/93/31/98/362933198.db2.gz TTZGWXJCCQMSBT-MRXNPFEDSA-N 2 2 276.428 2.211 50 0 CEAALP CCCn1cc[nH+]c1CN1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000067946724 362933204 /nfs/dbraw/zinc/93/32/04/362933204.db2.gz TTZGWXJCCQMSBT-MRXNPFEDSA-N 2 2 276.428 2.211 50 0 CEAALP CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1ccc2[nH+]ccn2c1 ZINC000068307646 362939494 /nfs/dbraw/zinc/93/94/94/362939494.db2.gz ITIHCHUZEFVTNU-AWEZNQCLSA-N 2 2 288.395 2.040 50 0 CEAALP COc1cc(C[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)cc(OC)c1OC ZINC000156065223 188241913 /nfs/dbraw/zinc/24/19/13/188241913.db2.gz MIYPUHVROKUPKC-WCQYABFASA-N 2 2 294.395 2.024 50 0 CEAALP COc1cc(C[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)cc(OC)c1OC ZINC000156065223 188241914 /nfs/dbraw/zinc/24/19/14/188241914.db2.gz MIYPUHVROKUPKC-WCQYABFASA-N 2 2 294.395 2.024 50 0 CEAALP O=C(C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)Nc1ccccc1 ZINC000080959314 363689798 /nfs/dbraw/zinc/68/97/98/363689798.db2.gz HJTFCCVKLIYXCJ-CYBMUJFWSA-N 2 2 284.363 2.228 50 0 CEAALP O=C(C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)Nc1ccccc1 ZINC000080959314 363689804 /nfs/dbraw/zinc/68/98/04/363689804.db2.gz HJTFCCVKLIYXCJ-CYBMUJFWSA-N 2 2 284.363 2.228 50 0 CEAALP Cc1ccc(C)c(NC(=O)C[NH2+]CC(C)(C)C[NH+](C)C)c1 ZINC000002649460 361243631 /nfs/dbraw/zinc/24/36/31/361243631.db2.gz LLLSPEOPFUOAIQ-UHFFFAOYSA-N 2 2 291.439 2.419 50 0 CEAALP CCn1c(C[NH+]2CCCC2)nnc1C1CC[NH+](CC)CC1 ZINC000082097507 363750600 /nfs/dbraw/zinc/75/06/00/363750600.db2.gz HSGACATVPMRIAG-UHFFFAOYSA-N 2 2 291.443 2.093 50 0 CEAALP C[NH+](C)CC[C@@H]1C[N@H+](C/C=C/c2ccc(F)cc2)CCO1 ZINC000014948042 361461520 /nfs/dbraw/zinc/46/15/20/361461520.db2.gz SEHGBMWVLYNNSH-REMYHPOOSA-N 2 2 292.398 2.491 50 0 CEAALP C[NH+](C)CC[C@@H]1C[N@@H+](C/C=C/c2ccc(F)cc2)CCO1 ZINC000014948042 361461527 /nfs/dbraw/zinc/46/15/27/361461527.db2.gz SEHGBMWVLYNNSH-REMYHPOOSA-N 2 2 292.398 2.491 50 0 CEAALP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000237368706 370714878 /nfs/dbraw/zinc/71/48/78/370714878.db2.gz COJJYUHYCIADMI-HIFRSBDPSA-N 2 2 298.390 2.072 50 0 CEAALP Nc1cc(N2CCC[C@@H](c3[nH+]ccn3CC3CC3)C2)nc[nH+]1 ZINC000095518041 364393482 /nfs/dbraw/zinc/39/34/82/364393482.db2.gz DQORXIKGHBYALN-CYBMUJFWSA-N 2 2 298.394 2.049 50 0 CEAALP Nc1cc(N2CCC[C@@H](c3[nH+]ccn3CC3CC3)C2)[nH+]cn1 ZINC000095518041 364393486 /nfs/dbraw/zinc/39/34/86/364393486.db2.gz DQORXIKGHBYALN-CYBMUJFWSA-N 2 2 298.394 2.049 50 0 CEAALP COC(=O)C(C)(C)C(C)(C)[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000097037837 364427460 /nfs/dbraw/zinc/42/74/60/364427460.db2.gz QEBODRNPGCIZAJ-NEPJUHHUSA-N 2 2 282.428 2.179 50 0 CEAALP COC(=O)C(C)(C)C(C)(C)[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000097037837 364427461 /nfs/dbraw/zinc/42/74/61/364427461.db2.gz QEBODRNPGCIZAJ-NEPJUHHUSA-N 2 2 282.428 2.179 50 0 CEAALP Cc1cnc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cn1 ZINC000097200747 364476353 /nfs/dbraw/zinc/47/63/53/364476353.db2.gz XHUBCSCIURGQJB-CQSZACIVSA-N 2 2 283.379 2.114 50 0 CEAALP Cc1cnc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cn1 ZINC000097200747 364476357 /nfs/dbraw/zinc/47/63/57/364476357.db2.gz XHUBCSCIURGQJB-CQSZACIVSA-N 2 2 283.379 2.114 50 0 CEAALP c1cn(-c2ccc(C[N@@H+]3CCc4nc[nH]c4C3)cc2)c[nH+]1 ZINC000097776020 364519016 /nfs/dbraw/zinc/51/90/16/364519016.db2.gz ATYVNZWNRAIHMY-UHFFFAOYSA-N 2 2 279.347 2.154 50 0 CEAALP c1cn(-c2ccc(C[N@H+]3CCc4nc[nH]c4C3)cc2)c[nH+]1 ZINC000097776020 364519027 /nfs/dbraw/zinc/51/90/27/364519027.db2.gz ATYVNZWNRAIHMY-UHFFFAOYSA-N 2 2 279.347 2.154 50 0 CEAALP Cc1cccn2cc(CN3CCC[C@]4(CC[NH2+]C4)C3)[nH+]c12 ZINC000244724597 370797278 /nfs/dbraw/zinc/79/72/78/370797278.db2.gz MXBKBVVJEXPDCC-QGZVFWFLSA-N 2 2 284.407 2.218 50 0 CEAALP CCO[C@@H]1C[C@H]([NH2+]CCc2cc[nH+]cc2C)[C@]12CCCO2 ZINC000585117835 367180473 /nfs/dbraw/zinc/18/04/73/367180473.db2.gz ZCBCMALNHAWNTA-GVDBMIGSSA-N 2 2 290.407 2.249 50 0 CEAALP CC(C)Oc1ccccc1C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193616627 369962694 /nfs/dbraw/zinc/96/26/94/369962694.db2.gz FCJMNPPWRWFOOR-IYBDPMFKSA-N 2 2 274.408 2.467 50 0 CEAALP CC(C)Oc1ccccc1C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193616627 369962696 /nfs/dbraw/zinc/96/26/96/369962696.db2.gz FCJMNPPWRWFOOR-IYBDPMFKSA-N 2 2 274.408 2.467 50 0 CEAALP CC(C)Oc1ccccc1C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193616627 369962698 /nfs/dbraw/zinc/96/26/98/369962698.db2.gz FCJMNPPWRWFOOR-IYBDPMFKSA-N 2 2 274.408 2.467 50 0 CEAALP CC(C)Oc1ccccc1C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193616627 369962699 /nfs/dbraw/zinc/96/26/99/369962699.db2.gz FCJMNPPWRWFOOR-IYBDPMFKSA-N 2 2 274.408 2.467 50 0 CEAALP COc1ccc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)cn1 ZINC000215257343 370174897 /nfs/dbraw/zinc/17/48/97/370174897.db2.gz KZXCRTONPQWZHT-CQSZACIVSA-N 2 2 263.385 2.006 50 0 CEAALP COc1ccc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)cn1 ZINC000215257343 370174901 /nfs/dbraw/zinc/17/49/01/370174901.db2.gz KZXCRTONPQWZHT-CQSZACIVSA-N 2 2 263.385 2.006 50 0 CEAALP CC1(C)CC(CC(=O)NCCc2[nH]cc[nH+]2)CC(C)(C)[NH2+]1 ZINC000426478016 377410877 /nfs/dbraw/zinc/41/08/77/377410877.db2.gz MSCMZJOPVAOUGW-UHFFFAOYSA-N 2 2 292.427 2.015 50 0 CEAALP C[C@H](C(=O)Nc1ccccc1F)[N@H+](C)C1CC[NH+](C)CC1 ZINC000006939292 170257143 /nfs/dbraw/zinc/25/71/43/170257143.db2.gz UPAFXMGKVIMZAB-GFCCVEGCSA-N 2 2 293.386 2.179 50 0 CEAALP C[C@H](C(=O)Nc1ccccc1F)[N@@H+](C)C1CC[NH+](C)CC1 ZINC000006939292 170257144 /nfs/dbraw/zinc/25/71/44/170257144.db2.gz UPAFXMGKVIMZAB-GFCCVEGCSA-N 2 2 293.386 2.179 50 0 CEAALP CSCCC[N@@H+]1CCC[C@H](Cn2cc[nH+]c2)C1 ZINC000072174635 176333598 /nfs/dbraw/zinc/33/35/98/176333598.db2.gz LYGVQMPJDSVBOM-ZDUSSCGKSA-N 2 2 253.415 2.348 50 0 CEAALP CSCCC[N@H+]1CCC[C@H](Cn2cc[nH+]c2)C1 ZINC000072174635 176333599 /nfs/dbraw/zinc/33/35/99/176333599.db2.gz LYGVQMPJDSVBOM-ZDUSSCGKSA-N 2 2 253.415 2.348 50 0 CEAALP c1[nH]cc(CN2CCC[N@@H+](C3Cc4ccccc4C3)CC2)[nH+]1 ZINC000077287832 177249360 /nfs/dbraw/zinc/24/93/60/177249360.db2.gz UFESGJIFASSEDN-UHFFFAOYSA-N 2 2 296.418 2.085 50 0 CEAALP c1[nH]cc(CN2CCC[N@H+](C3Cc4ccccc4C3)CC2)[nH+]1 ZINC000077287832 177249361 /nfs/dbraw/zinc/24/93/61/177249361.db2.gz UFESGJIFASSEDN-UHFFFAOYSA-N 2 2 296.418 2.085 50 0 CEAALP c1[nH]c(CN2CCC[N@@H+](C3Cc4ccccc4C3)CC2)c[nH+]1 ZINC000077287832 177249363 /nfs/dbraw/zinc/24/93/63/177249363.db2.gz UFESGJIFASSEDN-UHFFFAOYSA-N 2 2 296.418 2.085 50 0 CEAALP c1[nH]c(CN2CCC[N@H+](C3Cc4ccccc4C3)CC2)c[nH+]1 ZINC000077287832 177249364 /nfs/dbraw/zinc/24/93/64/177249364.db2.gz UFESGJIFASSEDN-UHFFFAOYSA-N 2 2 296.418 2.085 50 0 CEAALP Cc1cccc(N2CC[NH+](C[C@](C)([NH3+])C3CC3)CC2)c1 ZINC000037615751 281228074 /nfs/dbraw/zinc/22/80/74/281228074.db2.gz JSBVHTFTBAWIQQ-KRWDZBQOSA-N 2 2 273.424 2.244 50 0 CEAALP CCSC[C@@H](C)[NH2+]CC1(Cn2cc[nH+]c2)CC1 ZINC000534636915 328334053 /nfs/dbraw/zinc/33/40/53/328334053.db2.gz OPILKDPDDLBDST-GFCCVEGCSA-N 2 2 253.415 2.395 50 0 CEAALP C[NH+](C)C1(CNc2cc[nH+]cc2F)CCCCC1 ZINC000952868852 815071276 /nfs/dbraw/zinc/07/12/76/815071276.db2.gz BFPRHWFMHXMESV-UHFFFAOYSA-N 2 2 251.349 2.319 50 0 CEAALP Cc1[nH+]c[nH]c1CN1CC[NH+](Cc2ccccc2)CC1 ZINC000023281998 343381782 /nfs/dbraw/zinc/38/17/82/343381782.db2.gz FJHJXEZZCZDBGQ-UHFFFAOYSA-N 2 2 270.380 2.036 50 0 CEAALP C[C@@H]([NH2+]CCC1OCCO1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000125344645 344318820 /nfs/dbraw/zinc/31/88/20/344318820.db2.gz KWNLNMCFPQCOFV-CYBMUJFWSA-N 2 2 287.363 2.286 50 0 CEAALP C[NH+]1CCC([N@@H+]2CC[C@@H](Oc3ccccc3)C2)CC1 ZINC000584885392 344997540 /nfs/dbraw/zinc/99/75/40/344997540.db2.gz YTNZDARRBSXKIE-MRXNPFEDSA-N 2 2 260.381 2.234 50 0 CEAALP C[NH+]1CCC([N@H+]2CC[C@@H](Oc3ccccc3)C2)CC1 ZINC000584885392 344997541 /nfs/dbraw/zinc/99/75/41/344997541.db2.gz YTNZDARRBSXKIE-MRXNPFEDSA-N 2 2 260.381 2.234 50 0 CEAALP Cc1nc(N2C[C@H]3CC[C@H](C[N@H+]3CC3CCC3)C2)cc[nH+]1 ZINC000091663250 180219429 /nfs/dbraw/zinc/21/94/29/180219429.db2.gz JEJDDKGBAKFHJM-HZPDHXFCSA-N 2 2 286.423 2.486 50 0 CEAALP Cc1nc(N2C[C@H]3CC[C@H](C[N@@H+]3CC3CCC3)C2)cc[nH+]1 ZINC000091663250 180219430 /nfs/dbraw/zinc/21/94/30/180219430.db2.gz JEJDDKGBAKFHJM-HZPDHXFCSA-N 2 2 286.423 2.486 50 0 CEAALP CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(F)cn2)CC1 ZINC000092196201 180341798 /nfs/dbraw/zinc/34/17/98/180341798.db2.gz XFBGNZWWJMLKMF-NSHDSACASA-N 2 2 251.349 2.356 50 0 CEAALP CC(C)NC(=O)C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000069571374 362980867 /nfs/dbraw/zinc/98/08/67/362980867.db2.gz MPULAUDGUQWCPW-INIZCTEOSA-N 2 2 295.471 2.099 50 0 CEAALP CC(C)NC(=O)C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000069571374 362980874 /nfs/dbraw/zinc/98/08/74/362980874.db2.gz MPULAUDGUQWCPW-INIZCTEOSA-N 2 2 295.471 2.099 50 0 CEAALP C[N@H+](Cc1ccccn1)C1CC[NH+](C2CCOCC2)CC1 ZINC000069596939 362984457 /nfs/dbraw/zinc/98/44/57/362984457.db2.gz DZDUBYFZRDVPAX-UHFFFAOYSA-N 2 2 289.423 2.157 50 0 CEAALP C[N@@H+](Cc1ccccn1)C1CC[NH+](C2CCOCC2)CC1 ZINC000069596939 362984459 /nfs/dbraw/zinc/98/44/59/362984459.db2.gz DZDUBYFZRDVPAX-UHFFFAOYSA-N 2 2 289.423 2.157 50 0 CEAALP CC(C)[NH+]1CCC([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000095420479 364367966 /nfs/dbraw/zinc/36/79/66/364367966.db2.gz OVKHQJWGMBCAQB-JKSUJKDBSA-N 3 2 265.445 2.076 50 0 CEAALP CC(C)[NH+]1CCC([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000095420479 364367969 /nfs/dbraw/zinc/36/79/69/364367969.db2.gz OVKHQJWGMBCAQB-JKSUJKDBSA-N 3 2 265.445 2.076 50 0 CEAALP Cn1cc(C[N@@H+]2CCc3[nH+]c[nH]c3C2)c(-c2ccccc2)n1 ZINC000097784908 364518875 /nfs/dbraw/zinc/51/88/75/364518875.db2.gz FLYDCJVHTKOJBL-UHFFFAOYSA-N 2 2 293.374 2.369 50 0 CEAALP Cn1cc(C[N@H+]2CCc3[nH+]c[nH]c3C2)c(-c2ccccc2)n1 ZINC000097784908 364518879 /nfs/dbraw/zinc/51/88/79/364518879.db2.gz FLYDCJVHTKOJBL-UHFFFAOYSA-N 2 2 293.374 2.369 50 0 CEAALP CCc1[nH+]ccn1CC[N@H+](C)Cc1cnn(C(C)C)c1 ZINC000244764010 370798503 /nfs/dbraw/zinc/79/85/03/370798503.db2.gz OZRHJNPZOXGVFE-UHFFFAOYSA-N 2 2 275.400 2.355 50 0 CEAALP CCc1[nH+]ccn1CC[N@@H+](C)Cc1cnn(C(C)C)c1 ZINC000244764010 370798507 /nfs/dbraw/zinc/79/85/07/370798507.db2.gz OZRHJNPZOXGVFE-UHFFFAOYSA-N 2 2 275.400 2.355 50 0 CEAALP C[C@@H]1C[C@@H]([NH2+]Cc2ccncc2Br)CC[N@@H+]1C ZINC000585118316 367180502 /nfs/dbraw/zinc/18/05/02/367180502.db2.gz KFZYPQDUWSEILO-PWSUYJOCSA-N 2 2 298.228 2.416 50 0 CEAALP C[C@@H]1C[C@@H]([NH2+]Cc2ccncc2Br)CC[N@H+]1C ZINC000585118316 367180505 /nfs/dbraw/zinc/18/05/05/367180505.db2.gz KFZYPQDUWSEILO-PWSUYJOCSA-N 2 2 298.228 2.416 50 0 CEAALP C[NH+](C)C[C@@H]1COCC[N@H+](C/C=C/c2ccccc2)C1 ZINC000215859636 370180902 /nfs/dbraw/zinc/18/09/02/370180902.db2.gz XNGKMBWLGOYEJR-NADMHLTPSA-N 2 2 274.408 2.210 50 0 CEAALP C[NH+](C)C[C@@H]1COCC[N@@H+](C/C=C/c2ccccc2)C1 ZINC000215859636 370180907 /nfs/dbraw/zinc/18/09/07/370180907.db2.gz XNGKMBWLGOYEJR-NADMHLTPSA-N 2 2 274.408 2.210 50 0 CEAALP c1cncc(C[NH+]2CCC([NH2+][C@@H]3CCSC3)CC2)c1 ZINC000376806131 374737709 /nfs/dbraw/zinc/73/77/09/374737709.db2.gz ZOZMEJCSAAVJOD-OAHLLOKOSA-N 2 2 277.437 2.141 50 0 CEAALP Cc1cccc(OC2C[NH+](C[C@@H]3CCC[N@@H+](C)C3)C2)c1 ZINC000299769724 379132423 /nfs/dbraw/zinc/13/24/23/379132423.db2.gz PLECFUSELFRBFO-OAHLLOKOSA-N 2 2 274.408 2.400 50 0 CEAALP Cc1cccc(OC2C[NH+](C[C@@H]3CCC[N@H+](C)C3)C2)c1 ZINC000299769724 379132432 /nfs/dbraw/zinc/13/24/32/379132432.db2.gz PLECFUSELFRBFO-OAHLLOKOSA-N 2 2 274.408 2.400 50 0 CEAALP CC(C)[C@@H]1CN(c2cc(N)[nH+]cn2)CCC[N@@H+]1CC1CC1 ZINC000071422156 176161025 /nfs/dbraw/zinc/16/10/25/176161025.db2.gz CSWPOLUNAIMNTM-AWEZNQCLSA-N 2 2 289.427 2.006 50 0 CEAALP CC(C)[C@@H]1CN(c2cc(N)[nH+]cn2)CCC[N@H+]1CC1CC1 ZINC000071422156 176161027 /nfs/dbraw/zinc/16/10/27/176161027.db2.gz CSWPOLUNAIMNTM-AWEZNQCLSA-N 2 2 289.427 2.006 50 0 CEAALP COc1ccc(C[N@H+](C)C2CC[NH+](C)CC2)cc1OC ZINC000036379397 814767531 /nfs/dbraw/zinc/76/75/31/814767531.db2.gz LFAOJZMNOFZDDB-UHFFFAOYSA-N 2 2 278.396 2.230 50 0 CEAALP COc1ccc(C[N@@H+](C)C2CC[NH+](C)CC2)cc1OC ZINC000036379397 814767532 /nfs/dbraw/zinc/76/75/32/814767532.db2.gz LFAOJZMNOFZDDB-UHFFFAOYSA-N 2 2 278.396 2.230 50 0 CEAALP Fc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCOC3)CC2)cc1 ZINC000088684327 344113007 /nfs/dbraw/zinc/11/30/07/344113007.db2.gz KUYLBXWGCWIWOW-MRXNPFEDSA-N 2 2 278.371 2.169 50 0 CEAALP Fc1ccc2[nH]c(CCC[NH2+][C@@H]3CCOC3)[nH+]c2c1 ZINC000584902127 345003867 /nfs/dbraw/zinc/00/38/67/345003867.db2.gz GLEPACGNXKYPFK-LLVKDONJSA-N 2 2 263.316 2.013 50 0 CEAALP Cc1cc(C[N@H+](C)C[C@@H]2CCC[NH+]3CCCC[C@H]23)[nH]n1 ZINC000063847970 362776214 /nfs/dbraw/zinc/77/62/14/362776214.db2.gz DZQVJOKXTCMRBQ-GOEBONIOSA-N 2 2 276.428 2.414 50 0 CEAALP Cc1cc(C[N@@H+](C)C[C@@H]2CCC[NH+]3CCCC[C@H]23)[nH]n1 ZINC000063847970 362776220 /nfs/dbraw/zinc/77/62/20/362776220.db2.gz DZQVJOKXTCMRBQ-GOEBONIOSA-N 2 2 276.428 2.414 50 0 CEAALP Cc1cc(C[NH+](C)C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)[nH]n1 ZINC000063847970 362776226 /nfs/dbraw/zinc/77/62/26/362776226.db2.gz DZQVJOKXTCMRBQ-GOEBONIOSA-N 2 2 276.428 2.414 50 0 CEAALP Cc1cc(C[NH+](C)C[C@@H]2CCC[N@H+]3CCCC[C@H]23)[nH]n1 ZINC000063847970 362776230 /nfs/dbraw/zinc/77/62/30/362776230.db2.gz DZQVJOKXTCMRBQ-GOEBONIOSA-N 2 2 276.428 2.414 50 0 CEAALP Cn1cc[nH+]c1-c1cc2c(c(Cl)c1)O[C@H](C[NH3+])C2 ZINC000067885827 362930526 /nfs/dbraw/zinc/93/05/26/362930526.db2.gz JXKQESHQXXCERL-JTQLQIEISA-N 2 2 263.728 2.003 50 0 CEAALP Cc1nnc(C[N@@H+]2CCC[C@@H](Cn3cc[nH+]c3C)C2)s1 ZINC000670453289 540416500 /nfs/dbraw/zinc/41/65/00/540416500.db2.gz JLVWFPRJBFQFNM-CYBMUJFWSA-N 2 2 291.424 2.264 50 0 CEAALP Cc1nnc(C[N@H+]2CCC[C@@H](Cn3cc[nH+]c3C)C2)s1 ZINC000670453289 540416503 /nfs/dbraw/zinc/41/65/03/540416503.db2.gz JLVWFPRJBFQFNM-CYBMUJFWSA-N 2 2 291.424 2.264 50 0 CEAALP c1cc2c(nc[nH+]c2N2CCC[C@@H](Cn3cc[nH+]c3)C2)[nH]1 ZINC000077322489 540537224 /nfs/dbraw/zinc/53/72/24/540537224.db2.gz PMTQQOPQDIPHDW-LBPRGKRZSA-N 2 2 282.351 2.071 50 0 CEAALP C[NH+](C)CCNC[C@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000023352669 361598202 /nfs/dbraw/zinc/59/82/02/361598202.db2.gz UKEDTINNWQDFFR-OAHLLOKOSA-N 2 2 293.430 2.189 50 0 CEAALP C[NH+](C)CCNC[C@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000023352669 361598207 /nfs/dbraw/zinc/59/82/07/361598207.db2.gz UKEDTINNWQDFFR-OAHLLOKOSA-N 2 2 293.430 2.189 50 0 CEAALP CN(C)CC[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000023352669 361598211 /nfs/dbraw/zinc/59/82/11/361598211.db2.gz UKEDTINNWQDFFR-OAHLLOKOSA-N 2 2 293.430 2.189 50 0 CEAALP CN(C)CC[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000023352669 361598215 /nfs/dbraw/zinc/59/82/15/361598215.db2.gz UKEDTINNWQDFFR-OAHLLOKOSA-N 2 2 293.430 2.189 50 0 CEAALP CCCn1cc[nH+]c1CNC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000095388202 364354485 /nfs/dbraw/zinc/35/44/85/364354485.db2.gz SKWALLPCMYZZIK-CQSZACIVSA-N 2 2 292.427 2.174 50 0 CEAALP CCCn1cc[nH+]c1CNC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000095388202 364354490 /nfs/dbraw/zinc/35/44/90/364354490.db2.gz SKWALLPCMYZZIK-CQSZACIVSA-N 2 2 292.427 2.174 50 0 CEAALP c1cnn(-c2ccc(CC[NH2+][C@@H]3CC[N@@H+](C4CC4)C3)cc2)c1 ZINC000095419895 364368687 /nfs/dbraw/zinc/36/86/87/364368687.db2.gz XTIDGXJVIZFEOR-MRXNPFEDSA-N 2 2 296.418 2.241 50 0 CEAALP c1cnn(-c2ccc(CC[NH2+][C@@H]3CC[N@H+](C4CC4)C3)cc2)c1 ZINC000095419895 364368696 /nfs/dbraw/zinc/36/86/96/364368696.db2.gz XTIDGXJVIZFEOR-MRXNPFEDSA-N 2 2 296.418 2.241 50 0 CEAALP COCC[N@@H+]1CCC[C@H]([NH2+]C[C@H]2CC=CCC2)C1 ZINC000095433985 364376184 /nfs/dbraw/zinc/37/61/84/364376184.db2.gz UOCYFILVIRYTMR-GJZGRUSLSA-N 2 2 252.402 2.043 50 0 CEAALP COCC[N@H+]1CCC[C@H]([NH2+]C[C@H]2CC=CCC2)C1 ZINC000095433985 364376190 /nfs/dbraw/zinc/37/61/90/364376190.db2.gz UOCYFILVIRYTMR-GJZGRUSLSA-N 2 2 252.402 2.043 50 0 CEAALP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2cncs2)C1 ZINC000097236850 364486032 /nfs/dbraw/zinc/48/60/32/364486032.db2.gz VHIRIFBCWTUKQT-GFCCVEGCSA-N 2 2 276.409 2.331 50 0 CEAALP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2cncs2)C1 ZINC000097236850 364486039 /nfs/dbraw/zinc/48/60/39/364486039.db2.gz VHIRIFBCWTUKQT-GFCCVEGCSA-N 2 2 276.409 2.331 50 0 CEAALP C[C@@H]1CCC[C@](CNCc2c[nH+]cn2C)([NH+](C)C)C1 ZINC000112342165 364793515 /nfs/dbraw/zinc/79/35/15/364793515.db2.gz DZOMWXXPSQZLQY-HIFRSBDPSA-N 2 2 264.417 2.020 50 0 CEAALP CC[NH+](CC)[C@H]1CCN(Cc2c[nH+]cn2CC(C)C)C1 ZINC000244858484 370801276 /nfs/dbraw/zinc/80/12/76/370801276.db2.gz VMCDFPLJRPNNJH-HNNXBMFYSA-N 2 2 278.444 2.455 50 0 CEAALP CCC[C@H](C)[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000192735043 369847390 /nfs/dbraw/zinc/84/73/90/369847390.db2.gz GUXXNIKKVQHSPM-HNNXBMFYSA-N 2 2 278.444 2.468 50 0 CEAALP CCC[C@H](C)[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000192735043 369847396 /nfs/dbraw/zinc/84/73/96/369847396.db2.gz GUXXNIKKVQHSPM-HNNXBMFYSA-N 2 2 278.444 2.468 50 0 CEAALP C[NH+](C)C[C@@]1(CO)CCC[N@H+](C/C=C/c2ccccc2)C1 ZINC000215082571 370173553 /nfs/dbraw/zinc/17/35/53/370173553.db2.gz HVNBAZLFELXGBB-OPUMOTSWSA-N 2 2 288.435 2.336 50 0 CEAALP C[NH+](C)C[C@@]1(CO)CCC[N@@H+](C/C=C/c2ccccc2)C1 ZINC000215082571 370173557 /nfs/dbraw/zinc/17/35/57/370173557.db2.gz HVNBAZLFELXGBB-OPUMOTSWSA-N 2 2 288.435 2.336 50 0 CEAALP Cc1ccc(F)c(C[N@H+]2CCOC[C@H](C[NH+](C)C)C2)c1 ZINC000215057103 370173612 /nfs/dbraw/zinc/17/36/12/370173612.db2.gz XSJLMOBHDPNQIR-CQSZACIVSA-N 2 2 280.387 2.144 50 0 CEAALP Cc1ccc(F)c(C[N@@H+]2CCOC[C@H](C[NH+](C)C)C2)c1 ZINC000215057103 370173614 /nfs/dbraw/zinc/17/36/14/370173614.db2.gz XSJLMOBHDPNQIR-CQSZACIVSA-N 2 2 280.387 2.144 50 0 CEAALP CCn1ccnc1C[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000215926960 370182471 /nfs/dbraw/zinc/18/24/71/370182471.db2.gz OJZGQAKIKGTSKB-ZDUSSCGKSA-N 2 2 273.384 2.016 50 0 CEAALP CCn1ccnc1C[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000215926960 370182474 /nfs/dbraw/zinc/18/24/74/370182474.db2.gz OJZGQAKIKGTSKB-ZDUSSCGKSA-N 2 2 273.384 2.016 50 0 CEAALP Cc1nnc2n1CCC[C@@H]2[NH2+]CCCc1c[nH+]ccc1C ZINC000368569404 156370409 /nfs/dbraw/zinc/37/04/09/156370409.db2.gz VWJVHRUGGWKUCT-HNNXBMFYSA-N 2 2 285.395 2.347 50 0 CEAALP CCCOc1ccc(C[NH2+]CCC[NH+]2CCOCC2)cc1 ZINC000020142000 171028658 /nfs/dbraw/zinc/02/86/58/171028658.db2.gz QGLAFOHHMVENIY-UHFFFAOYSA-N 2 2 292.423 2.287 50 0 CEAALP CC1(C)C[C@@H]([NH2+]CC[NH2+]Cc2ccccc2)CCO1 ZINC000039949968 174176474 /nfs/dbraw/zinc/17/64/74/174176474.db2.gz RDARAEKYSXYQPL-HNNXBMFYSA-N 2 2 262.397 2.323 50 0 CEAALP CC(=O)Nc1ccc(-c2[nH+]ccn2CCC[NH+](C)C)cc1 ZINC000067919839 175801883 /nfs/dbraw/zinc/80/18/83/175801883.db2.gz KQNAGRVBSQXCKC-UHFFFAOYSA-N 2 2 286.379 2.460 50 0 CEAALP CC[C@H]1CCCC[N@@H+]1CCNC(=O)CCCn1cc[nH+]c1 ZINC000071904555 176295421 /nfs/dbraw/zinc/29/54/21/176295421.db2.gz AZIXCFJVNGMBJT-HNNXBMFYSA-N 2 2 292.427 2.044 50 0 CEAALP CC[C@H]1CCCC[N@H+]1CCNC(=O)CCCn1cc[nH+]c1 ZINC000071904555 176295422 /nfs/dbraw/zinc/29/54/22/176295422.db2.gz AZIXCFJVNGMBJT-HNNXBMFYSA-N 2 2 292.427 2.044 50 0 CEAALP CCCn1cc[nH+]c1CNC(=O)C[NH+]1CCCCCCC1 ZINC000534584980 328314931 /nfs/dbraw/zinc/31/49/31/328314931.db2.gz NKEWFOPLSBWOGQ-UHFFFAOYSA-N 2 2 292.427 2.175 50 0 CEAALP Cc1cc(C[NH2+]CCC[N@@H+]2CCCC[C@@H]2CO)oc1C ZINC000952962825 815081202 /nfs/dbraw/zinc/08/12/02/815081202.db2.gz ILSPBZBBOFQXHX-OAHLLOKOSA-N 2 2 280.412 2.223 50 0 CEAALP Cc1cc(C[NH2+]CCC[N@H+]2CCCC[C@@H]2CO)oc1C ZINC000952962825 815081206 /nfs/dbraw/zinc/08/12/06/815081206.db2.gz ILSPBZBBOFQXHX-OAHLLOKOSA-N 2 2 280.412 2.223 50 0 CEAALP Nc1cc[nH+]cc1-c1ccccc1C[NH+]1CCC(=O)CC1 ZINC000032580868 807439968 /nfs/dbraw/zinc/43/99/68/807439968.db2.gz LMGWDVYNECVTHG-UHFFFAOYSA-N 2 2 281.359 2.496 50 0 CEAALP Cc1ccc[nH+]c1N1CCC([N@@H+]2CCC[C@H](CO)C2)CC1 ZINC000828711120 810836380 /nfs/dbraw/zinc/83/63/80/810836380.db2.gz GSVGXTIQGJXCJY-HNNXBMFYSA-N 2 2 289.423 2.063 50 0 CEAALP Cc1ccc[nH+]c1N1CCC([N@H+]2CCC[C@H](CO)C2)CC1 ZINC000828711120 810836389 /nfs/dbraw/zinc/83/63/89/810836389.db2.gz GSVGXTIQGJXCJY-HNNXBMFYSA-N 2 2 289.423 2.063 50 0 CEAALP CC(C)([NH3+])C[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000040925858 362011191 /nfs/dbraw/zinc/01/11/91/362011191.db2.gz JLZRCEKHCFNXRG-UHFFFAOYSA-N 2 2 267.804 2.199 50 0 CEAALP C[C@@H]1CCCN(c2cc(N[C@@H]3CC[C@H](C[NH3+])C3)[nH+]cn2)C1 ZINC000333628792 136412457 /nfs/dbraw/zinc/41/24/57/136412457.db2.gz GHLUQRYTOIHWFI-HZSPNIEDSA-N 2 2 289.427 2.252 50 0 CEAALP C[C@@H]1CCCN(c2cc(N[C@@H]3CC[C@H](C[NH3+])C3)nc[nH+]2)C1 ZINC000333628792 136412458 /nfs/dbraw/zinc/41/24/58/136412458.db2.gz GHLUQRYTOIHWFI-HZSPNIEDSA-N 2 2 289.427 2.252 50 0 CEAALP Cc1[nH+]c2cc(C[NH2+][C@H]3CCCOC3)ccc2n1C ZINC000584902563 345003926 /nfs/dbraw/zinc/00/39/26/345003926.db2.gz GNOJABBRUFOBMF-ZDUSSCGKSA-N 2 2 259.353 2.150 50 0 CEAALP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H](C)Cc1cnccn1 ZINC000453098596 283472333 /nfs/dbraw/zinc/47/23/33/283472333.db2.gz VGALDLWLKKSRAZ-ZDUSSCGKSA-N 2 2 295.390 2.356 50 0 CEAALP C[C@@H]1C[N@H+](C2CC[NH+](Cc3ccncc3)CC2)C[C@H](C)O1 ZINC000012363347 361378923 /nfs/dbraw/zinc/37/89/23/361378923.db2.gz SSWACDZPHXMSIO-GASCZTMLSA-N 2 2 289.423 2.155 50 0 CEAALP C[C@@H]1C[N@@H+](C2CC[NH+](Cc3ccncc3)CC2)C[C@H](C)O1 ZINC000012363347 361378926 /nfs/dbraw/zinc/37/89/26/361378926.db2.gz SSWACDZPHXMSIO-GASCZTMLSA-N 2 2 289.423 2.155 50 0 CEAALP Cc1ccccc1C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000013694374 361436869 /nfs/dbraw/zinc/43/68/69/361436869.db2.gz YNOLDLLWFKROPK-UHFFFAOYSA-N 2 2 270.380 2.051 50 0 CEAALP Cn1cc[nH+]c1N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000013694408 361437280 /nfs/dbraw/zinc/43/72/80/361437280.db2.gz SDYLQQWOXUKIQK-UHFFFAOYSA-N 2 2 290.798 2.396 50 0 CEAALP COc1ccc(C[NH2+]C[C@@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC000025561686 361628826 /nfs/dbraw/zinc/62/88/26/361628826.db2.gz XGIDIXRNVHXTPT-QGZVFWFLSA-N 2 2 292.423 2.142 50 0 CEAALP COc1ccc(C[NH2+]C[C@@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC000025561686 361628832 /nfs/dbraw/zinc/62/88/32/361628832.db2.gz XGIDIXRNVHXTPT-QGZVFWFLSA-N 2 2 292.423 2.142 50 0 CEAALP CC(C)N(C(=O)[C@@H](C)[N@@H+]1CCC[C@H](C[NH+](C)C)C1)C(C)C ZINC000089856794 364011299 /nfs/dbraw/zinc/01/12/99/364011299.db2.gz BQEKNVSLOIYTCQ-HZPDHXFCSA-N 2 2 297.487 2.294 50 0 CEAALP CC(C)N(C(=O)[C@@H](C)[N@H+]1CCC[C@H](C[NH+](C)C)C1)C(C)C ZINC000089856794 364011301 /nfs/dbraw/zinc/01/13/01/364011301.db2.gz BQEKNVSLOIYTCQ-HZPDHXFCSA-N 2 2 297.487 2.294 50 0 CEAALP Cn1cc[nH+]c1CN1C[C@H]2CC[C@H](C[N@H+]2CC2CCC2)C1 ZINC000095358735 364345487 /nfs/dbraw/zinc/34/54/87/364345487.db2.gz OORQVAOJQIHSII-JKSUJKDBSA-N 2 2 288.439 2.116 50 0 CEAALP Cn1cc[nH+]c1CN1C[C@H]2CC[C@H](C[N@@H+]2CC2CCC2)C1 ZINC000095358735 364345490 /nfs/dbraw/zinc/34/54/90/364345490.db2.gz OORQVAOJQIHSII-JKSUJKDBSA-N 2 2 288.439 2.116 50 0 CEAALP c1[nH]c(CN2C[C@H]3CC[C@H](C[N@H+]3CC3CCC3)C2)c[nH+]1 ZINC000095380594 364351103 /nfs/dbraw/zinc/35/11/03/364351103.db2.gz XWZNFUBAVWWDID-GOEBONIOSA-N 2 2 274.412 2.106 50 0 CEAALP c1[nH]c(CN2C[C@H]3CC[C@H](C[N@@H+]3CC3CCC3)C2)c[nH+]1 ZINC000095380594 364351109 /nfs/dbraw/zinc/35/11/09/364351109.db2.gz XWZNFUBAVWWDID-GOEBONIOSA-N 2 2 274.412 2.106 50 0 CEAALP c1[nH]cc(CN2C[C@H]3CC[C@H](C[N@H+]3CC3CCC3)C2)[nH+]1 ZINC000095380594 364351115 /nfs/dbraw/zinc/35/11/15/364351115.db2.gz XWZNFUBAVWWDID-GOEBONIOSA-N 2 2 274.412 2.106 50 0 CEAALP c1[nH]cc(CN2C[C@H]3CC[C@H](C[N@@H+]3CC3CCC3)C2)[nH+]1 ZINC000095380594 364351118 /nfs/dbraw/zinc/35/11/18/364351118.db2.gz XWZNFUBAVWWDID-GOEBONIOSA-N 2 2 274.412 2.106 50 0 CEAALP [NH3+]C[C@H]1C[N@H+](Cc2ccccc2-c2ccco2)CCO1 ZINC000097759353 364518698 /nfs/dbraw/zinc/51/86/98/364518698.db2.gz OQSLRASUSCUMFM-AWEZNQCLSA-N 2 2 272.348 2.106 50 0 CEAALP [NH3+]C[C@H]1C[N@@H+](Cc2ccccc2-c2ccco2)CCO1 ZINC000097759353 364518705 /nfs/dbraw/zinc/51/87/05/364518705.db2.gz OQSLRASUSCUMFM-AWEZNQCLSA-N 2 2 272.348 2.106 50 0 CEAALP CC[N@H+](Cc1c[nH+]c(C)[nH]1)[C@@H]1CCOC(C)(C)C1 ZINC000097679909 364515204 /nfs/dbraw/zinc/51/52/04/364515204.db2.gz YHGPMRNNMJTMAQ-CYBMUJFWSA-N 2 2 251.374 2.498 50 0 CEAALP CC[N@@H+](Cc1c[nH+]c(C)[nH]1)[C@@H]1CCOC(C)(C)C1 ZINC000097679909 364515210 /nfs/dbraw/zinc/51/52/10/364515210.db2.gz YHGPMRNNMJTMAQ-CYBMUJFWSA-N 2 2 251.374 2.498 50 0 CEAALP Cc1[nH]c(CN2CCCC[C@H]2C[NH+]2CCCC2)c[nH+]1 ZINC000215271895 370174468 /nfs/dbraw/zinc/17/44/68/370174468.db2.gz DCQXASHWZFVUED-HNNXBMFYSA-N 2 2 262.401 2.168 50 0 CEAALP Cc1[nH]cc(CN2CCCC[C@H]2C[NH+]2CCCC2)[nH+]1 ZINC000215271895 370174474 /nfs/dbraw/zinc/17/44/74/370174474.db2.gz DCQXASHWZFVUED-HNNXBMFYSA-N 2 2 262.401 2.168 50 0 CEAALP Cc1cccc(OC2C[NH+](C[C@H]3CCC[N@@H+](C)C3)C2)c1 ZINC000299769721 379132655 /nfs/dbraw/zinc/13/26/55/379132655.db2.gz PLECFUSELFRBFO-HNNXBMFYSA-N 2 2 274.408 2.400 50 0 CEAALP Cc1cccc(OC2C[NH+](C[C@H]3CCC[N@H+](C)C3)C2)c1 ZINC000299769721 379132663 /nfs/dbraw/zinc/13/26/63/379132663.db2.gz PLECFUSELFRBFO-HNNXBMFYSA-N 2 2 274.408 2.400 50 0 CEAALP C[NH+](C)C(C)(C)CN[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000125506577 400278600 /nfs/dbraw/zinc/27/86/00/400278600.db2.gz PVZGVNGCGJSMHG-AWEZNQCLSA-N 2 2 272.396 2.429 50 0 CEAALP C[NH+](C)C1CC[NH+](C[C@@H](O)c2ccccc2Cl)CC1 ZINC000040528249 174315582 /nfs/dbraw/zinc/31/55/82/174315582.db2.gz XVWBXTQVRGLSCK-OAHLLOKOSA-N 2 2 282.815 2.399 50 0 CEAALP c1cc2c(nc[nH+]c2N2CC[C@@H]([NH+]3CCCCC3)C2)[nH]1 ZINC000341129576 275065114 /nfs/dbraw/zinc/06/51/14/275065114.db2.gz QGRGGQFAYUJXSD-GFCCVEGCSA-N 2 2 271.368 2.023 50 0 CEAALP CC[N@@H+]1CCC[C@@](O)(C[NH+]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000040714639 276373919 /nfs/dbraw/zinc/37/39/19/276373919.db2.gz TYWJQZWQSUJJSI-STQMWFEESA-N 2 2 294.361 2.108 50 0 CEAALP CC[N@H+]1CCC[C@@](O)(C[NH+]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000040714639 276373920 /nfs/dbraw/zinc/37/39/20/276373920.db2.gz TYWJQZWQSUJJSI-STQMWFEESA-N 2 2 294.361 2.108 50 0 CEAALP CC[NH+]1CCC[C@@](O)(C[N@@H+]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000040714639 276373922 /nfs/dbraw/zinc/37/39/22/276373922.db2.gz TYWJQZWQSUJJSI-STQMWFEESA-N 2 2 294.361 2.108 50 0 CEAALP CC[NH+]1CCC[C@@](O)(C[N@H+]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000040714639 276373923 /nfs/dbraw/zinc/37/39/23/276373923.db2.gz TYWJQZWQSUJJSI-STQMWFEESA-N 2 2 294.361 2.108 50 0 CEAALP C[C@H](Cn1cc[nH+]c1)[NH2+]CCCc1nc2ccccc2n1C ZINC000534649964 328336624 /nfs/dbraw/zinc/33/66/24/328336624.db2.gz PYCXPHXKRHHEMW-CQSZACIVSA-N 2 2 297.406 2.381 50 0 CEAALP C[N@@H+]1CCCN(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000095531300 185004715 /nfs/dbraw/zinc/00/47/15/185004715.db2.gz NCRDLIJZRGCYBT-UHFFFAOYSA-N 2 2 299.378 2.042 50 0 CEAALP C[N@H+]1CCCN(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000095531300 185004716 /nfs/dbraw/zinc/00/47/16/185004716.db2.gz NCRDLIJZRGCYBT-UHFFFAOYSA-N 2 2 299.378 2.042 50 0 CEAALP C[NH+]1CCC(Oc2ccccc2NCc2c[nH+]c[nH]2)CC1 ZINC000032541199 361742823 /nfs/dbraw/zinc/74/28/23/361742823.db2.gz OGLVGKAZWXPXMU-UHFFFAOYSA-N 2 2 286.379 2.495 50 0 CEAALP C[NH+]1CCC(Oc2ccccc2NCc2c[nH]c[nH+]2)CC1 ZINC000032541199 361742827 /nfs/dbraw/zinc/74/28/27/361742827.db2.gz OGLVGKAZWXPXMU-UHFFFAOYSA-N 2 2 286.379 2.495 50 0 CEAALP O[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000051999446 362458909 /nfs/dbraw/zinc/45/89/09/362458909.db2.gz CVXNZYQULAWDKO-JKSUJKDBSA-N 2 2 271.364 2.265 50 0 CEAALP Cc1[nH]c2c([nH+]1)CC[N@H+](C1Cc3ccccc3C1)C2 ZINC000584885666 344997532 /nfs/dbraw/zinc/99/75/32/344997532.db2.gz HWXLQCIVEWFGCN-UHFFFAOYSA-N 2 2 253.349 2.244 50 0 CEAALP Cc1[nH]c2c([nH+]1)CC[N@@H+](C1Cc3ccccc3C1)C2 ZINC000584885666 344997535 /nfs/dbraw/zinc/99/75/35/344997535.db2.gz HWXLQCIVEWFGCN-UHFFFAOYSA-N 2 2 253.349 2.244 50 0 CEAALP c1cc(C[NH+]2CCC([NH2+][C@@H]3CCSC3)CC2)ccn1 ZINC000584886924 344998356 /nfs/dbraw/zinc/99/83/56/344998356.db2.gz FQWINHMOWMKKQQ-OAHLLOKOSA-N 2 2 277.437 2.141 50 0 CEAALP C[N@@H+]1CC[C@@H]([NH2+]C2CCN(c3ccc(F)c(F)c3)CC2)C1 ZINC000584889798 344998692 /nfs/dbraw/zinc/99/86/92/344998692.db2.gz WNRXPBBDXQANJG-CYBMUJFWSA-N 2 2 295.377 2.227 50 0 CEAALP C[N@H+]1CC[C@@H]([NH2+]C2CCN(c3ccc(F)c(F)c3)CC2)C1 ZINC000584889798 344998694 /nfs/dbraw/zinc/99/86/94/344998694.db2.gz WNRXPBBDXQANJG-CYBMUJFWSA-N 2 2 295.377 2.227 50 0 CEAALP [NH2+]=C(NCCCNc1cccc[nH+]1)NCc1ccccc1 ZINC000058308558 362621629 /nfs/dbraw/zinc/62/16/29/362621629.db2.gz FIEUMVBONZPYNJ-UHFFFAOYSA-N 2 2 283.379 2.198 50 0 CEAALP CCc1[nH+]c2ccccc2c(NC(=O)C[NH2+]C)c1C ZINC000085397594 179049731 /nfs/dbraw/zinc/04/97/31/179049731.db2.gz TVTSNXJYXKCDMV-UHFFFAOYSA-N 2 2 257.337 2.264 50 0 CEAALP c1cn(CCC[NH+]2CCOCC2)c(C2CCCC2)[nH+]1 ZINC000065424958 362821409 /nfs/dbraw/zinc/82/14/09/362821409.db2.gz OOQAERNRQHMJMI-UHFFFAOYSA-N 2 2 263.385 2.263 50 0 CEAALP CC(C)[NH2+]CC(=O)Nc1c2c([nH+]c3ccccc31)N(C)CC2 ZINC000000355059 361165407 /nfs/dbraw/zinc/16/54/07/361165407.db2.gz VQZMPJCLAGUBBL-UHFFFAOYSA-N 2 2 298.390 2.164 50 0 CEAALP CN(C)c1ncc(C[NH2+]C[C@@H]2CCCn3cc[nH+]c32)s1 ZINC000083855463 363789174 /nfs/dbraw/zinc/78/91/74/363789174.db2.gz NWHPMJPLHQXIKG-NSHDSACASA-N 2 2 291.424 2.073 50 0 CEAALP C[C@H]1CCCC[N@@H+]1CCCNc1[nH+]cnc2c1cnn2C ZINC000014266581 361456835 /nfs/dbraw/zinc/45/68/35/361456835.db2.gz SNHMLKCJVVJRQZ-LBPRGKRZSA-N 2 2 288.399 2.040 50 0 CEAALP C[C@H]1CCCC[N@H+]1CCCNc1[nH+]cnc2c1cnn2C ZINC000014266581 361456840 /nfs/dbraw/zinc/45/68/40/361456840.db2.gz SNHMLKCJVVJRQZ-LBPRGKRZSA-N 2 2 288.399 2.040 50 0 CEAALP CC(C)Cn1c[nH+]cc1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC000426398067 377402035 /nfs/dbraw/zinc/40/20/35/377402035.db2.gz PIDQAECMDPXMHD-UHFFFAOYSA-N 2 2 292.427 2.030 50 0 CEAALP CCO[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H](C)[N@H+](C)C2)C12CCC2 ZINC000107525710 400264962 /nfs/dbraw/zinc/26/49/62/400264962.db2.gz JYWJGLUQEJHBSO-ZOBORPQBSA-N 2 2 252.402 2.016 50 0 CEAALP CCO[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H](C)[N@@H+](C)C2)C12CCC2 ZINC000107525710 400264966 /nfs/dbraw/zinc/26/49/66/400264966.db2.gz JYWJGLUQEJHBSO-ZOBORPQBSA-N 2 2 252.402 2.016 50 0 CEAALP Cc1[nH+]c2ccccc2n1CC[NH2+]C1CC[NH+](C)CC1 ZINC000020186605 171050602 /nfs/dbraw/zinc/05/06/02/171050602.db2.gz FQUUZQWIWJODJJ-UHFFFAOYSA-N 3 2 272.396 2.029 50 0 CEAALP Cc1[nH+]c2ccccc2n1C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000071824976 176272016 /nfs/dbraw/zinc/27/20/16/176272016.db2.gz BCEJDSZHFOOSFW-OAHLLOKOSA-N 2 2 287.407 2.438 50 0 CEAALP Cc1cc(Nc2ncccn2)cc([C@@H]2CCC[NH2+]C2)[nH+]1 ZINC000077010991 177146466 /nfs/dbraw/zinc/14/64/66/177146466.db2.gz NTKKOVYUHRFMQI-GFCCVEGCSA-N 2 2 269.352 2.391 50 0 CEAALP Cc1nc[nH]c1C[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000054796355 525463392 /nfs/dbraw/zinc/46/33/92/525463392.db2.gz PBIUNPSBHOECIY-ZDUSSCGKSA-N 2 2 261.373 2.119 50 0 CEAALP C[C@H](C[NH+]1CCCCC1)[NH2+]CCc1nccs1 ZINC000821260053 810565143 /nfs/dbraw/zinc/56/51/43/810565143.db2.gz KALHHKYTPFQVRA-GFCCVEGCSA-N 2 2 253.415 2.150 50 0 CEAALP Cn1cccc1C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000097376990 344245326 /nfs/dbraw/zinc/24/53/26/344245326.db2.gz VJTRUDJAFJPRBG-CQSZACIVSA-N 2 2 272.396 2.213 50 0 CEAALP Cn1cccc1C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000097376990 344245328 /nfs/dbraw/zinc/24/53/28/344245328.db2.gz VJTRUDJAFJPRBG-CQSZACIVSA-N 2 2 272.396 2.213 50 0 CEAALP c1cc(OC2CC[NH+](C3CCOCC3)CC2)cc[nH+]1 ZINC000584891328 344999506 /nfs/dbraw/zinc/99/95/06/344999506.db2.gz WMOMGIAHIKWFNK-UHFFFAOYSA-N 2 2 262.353 2.104 50 0 CEAALP Cc1cc(Cl)ccc1C[NH2+]C[C@](C)(O)C[NH+](C)C ZINC000130334691 365946196 /nfs/dbraw/zinc/94/61/96/365946196.db2.gz RWAPHJJXANOGAT-AWEZNQCLSA-N 2 2 270.804 2.051 50 0 CEAALP C[NH+](C)CCC[N@H+](C)Cc1cc(=O)c2cc(F)ccc2[nH]1 ZINC000092065858 180316168 /nfs/dbraw/zinc/31/61/68/180316168.db2.gz FJLBDSFYIDEPGI-UHFFFAOYSA-N 2 2 291.370 2.463 50 0 CEAALP C[NH+](C)CCC[N@@H+](C)Cc1cc(=O)c2cc(F)ccc2[nH]1 ZINC000092065858 180316169 /nfs/dbraw/zinc/31/61/69/180316169.db2.gz FJLBDSFYIDEPGI-UHFFFAOYSA-N 2 2 291.370 2.463 50 0 CEAALP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@H]2CCC[N@@H+](C)C2)c1 ZINC000084131292 540125214 /nfs/dbraw/zinc/12/52/14/540125214.db2.gz GXNQMIDIZFTFHW-AWEZNQCLSA-N 2 2 298.390 2.005 50 0 CEAALP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@H]2CCC[N@H+](C)C2)c1 ZINC000084131292 540125217 /nfs/dbraw/zinc/12/52/17/540125217.db2.gz GXNQMIDIZFTFHW-AWEZNQCLSA-N 2 2 298.390 2.005 50 0 CEAALP Cc1cccc(N2CC[NH+](CCc3[nH+]ccn3C)CC2)c1 ZINC000670451577 540415281 /nfs/dbraw/zinc/41/52/81/540415281.db2.gz JXEFJHFPQZVEGV-UHFFFAOYSA-N 2 2 284.407 2.093 50 0 CEAALP CN(Cc1c[nH+]cn1C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000177174372 189034285 /nfs/dbraw/zinc/03/42/85/189034285.db2.gz PGZRQRCTEDUEOX-QGZVFWFLSA-N 2 2 298.434 2.374 50 0 CEAALP CN(Cc1c[nH+]cn1C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000177174372 189034286 /nfs/dbraw/zinc/03/42/86/189034286.db2.gz PGZRQRCTEDUEOX-QGZVFWFLSA-N 2 2 298.434 2.374 50 0 CEAALP NC1=[NH+]N2C(=[NH+]C3=C(CCCC3)[C@H]2c2ccccc2)N1 ZINC000004834184 361328189 /nfs/dbraw/zinc/32/81/89/361328189.db2.gz YTSVUSIEVAVUAB-CYBMUJFWSA-N 2 2 267.336 2.060 50 0 CEAALP c1ccc(N2CC[C@@H](OCC[NH+]3CCCCC3)C2)[nH+]c1 ZINC000095437231 364377288 /nfs/dbraw/zinc/37/72/88/364377288.db2.gz OLAXDLYNKHZMRT-OAHLLOKOSA-N 2 2 275.396 2.163 50 0 CEAALP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cc(F)cc(F)c1 ZINC000097229834 364482685 /nfs/dbraw/zinc/48/26/85/364482685.db2.gz IDKGWNACAOMSPH-SNVBAGLBSA-N 2 2 251.280 2.340 50 0 CEAALP [NH3+]C[C@@H]1C[N@H+](Cc2ccccc2-c2ccco2)CCO1 ZINC000097759352 364519635 /nfs/dbraw/zinc/51/96/35/364519635.db2.gz OQSLRASUSCUMFM-CQSZACIVSA-N 2 2 272.348 2.106 50 0 CEAALP [NH3+]C[C@@H]1C[N@@H+](Cc2ccccc2-c2ccco2)CCO1 ZINC000097759352 364519637 /nfs/dbraw/zinc/51/96/37/364519637.db2.gz OQSLRASUSCUMFM-CQSZACIVSA-N 2 2 272.348 2.106 50 0 CEAALP Cc1[nH+]c[nH]c1CN1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000243901862 370790245 /nfs/dbraw/zinc/79/02/45/370790245.db2.gz BEYOVSXHUGUOFQ-INIZCTEOSA-N 2 2 270.380 2.207 50 0 CEAALP Cc1[nH+]c[nH]c1CN1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000243901862 370790248 /nfs/dbraw/zinc/79/02/48/370790248.db2.gz BEYOVSXHUGUOFQ-INIZCTEOSA-N 2 2 270.380 2.207 50 0 CEAALP COc1c(N)cc[nH+]c1-c1cccc(C[NH+]2CCOCC2)c1 ZINC000216287089 370186383 /nfs/dbraw/zinc/18/63/83/370186383.db2.gz XEZFMRARRHTGDX-UHFFFAOYSA-N 2 2 299.374 2.172 50 0 CEAALP C[C@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)[C@@H](C)CO1 ZINC000225224582 370287098 /nfs/dbraw/zinc/28/70/98/370287098.db2.gz BCYWIAHFGXEMCZ-KBPBESRZSA-N 2 2 271.364 2.482 50 0 CEAALP C[C@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)[C@@H](C)CO1 ZINC000225224582 370287100 /nfs/dbraw/zinc/28/71/00/370287100.db2.gz BCYWIAHFGXEMCZ-KBPBESRZSA-N 2 2 271.364 2.482 50 0 CEAALP c1nc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cs1 ZINC000236744144 370617794 /nfs/dbraw/zinc/61/77/94/370617794.db2.gz ATDRTSCPGKEQLM-LBPRGKRZSA-N 2 2 274.393 2.472 50 0 CEAALP c1nc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cs1 ZINC000236744144 370617800 /nfs/dbraw/zinc/61/78/00/370617800.db2.gz ATDRTSCPGKEQLM-LBPRGKRZSA-N 2 2 274.393 2.472 50 0 CEAALP CCO[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](C)[N@H+](C)C2)C12CCC2 ZINC000252477204 371441256 /nfs/dbraw/zinc/44/12/56/371441256.db2.gz JYWJGLUQEJHBSO-XDQVBPFNSA-N 2 2 252.402 2.016 50 0 CEAALP CCO[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](C)[N@@H+](C)C2)C12CCC2 ZINC000252477204 371441259 /nfs/dbraw/zinc/44/12/59/371441259.db2.gz JYWJGLUQEJHBSO-XDQVBPFNSA-N 2 2 252.402 2.016 50 0 CEAALP Cc1[nH]c(CN2CC[NH+](C3CCCC3)CC2)[nH+]c1C ZINC000299779465 379137697 /nfs/dbraw/zinc/13/76/97/379137697.db2.gz ODRMNVXKMHKHOK-UHFFFAOYSA-N 2 2 262.401 2.087 50 0 CEAALP COC[C@H](C)[N@@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195265790 285342045 /nfs/dbraw/zinc/34/20/45/285342045.db2.gz YNXQRIALMNTBIF-JSGCOSHPSA-N 2 2 297.468 2.240 50 0 CEAALP COC[C@H](C)[N@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195265790 285342046 /nfs/dbraw/zinc/34/20/46/285342046.db2.gz YNXQRIALMNTBIF-JSGCOSHPSA-N 2 2 297.468 2.240 50 0 CEAALP COC[C@H](C)[NH+]1CC[C@@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000195265790 285342047 /nfs/dbraw/zinc/34/20/47/285342047.db2.gz YNXQRIALMNTBIF-JSGCOSHPSA-N 2 2 297.468 2.240 50 0 CEAALP COC[C@H](C)[NH+]1CC[C@@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000195265790 285342048 /nfs/dbraw/zinc/34/20/48/285342048.db2.gz YNXQRIALMNTBIF-JSGCOSHPSA-N 2 2 297.468 2.240 50 0 CEAALP Cc1ccc(NC[C@@H]2CC[N@H+](CCn3cccn3)C2)[nH+]c1 ZINC000097200525 394699055 /nfs/dbraw/zinc/69/90/55/394699055.db2.gz VZWYZEWPOLGCAQ-HNNXBMFYSA-N 2 2 285.395 2.021 50 0 CEAALP Cc1ccc(NC[C@@H]2CC[N@@H+](CCn3cccn3)C2)[nH+]c1 ZINC000097200525 394699057 /nfs/dbraw/zinc/69/90/57/394699057.db2.gz VZWYZEWPOLGCAQ-HNNXBMFYSA-N 2 2 285.395 2.021 50 0 CEAALP CC[C@H](C)[NH+]1CCC([N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000009933425 170391213 /nfs/dbraw/zinc/39/12/13/170391213.db2.gz ZIGZSNQDEOYGCI-MELADBBJSA-N 2 2 254.418 2.359 50 0 CEAALP CC[C@H](C)[NH+]1CCC([N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000009933425 170391214 /nfs/dbraw/zinc/39/12/14/170391214.db2.gz ZIGZSNQDEOYGCI-MELADBBJSA-N 2 2 254.418 2.359 50 0 CEAALP Cc1c[nH]c(CN(C)C(=O)CC[NH+]2CCCCCCC2)[nH+]1 ZINC000055392984 175577994 /nfs/dbraw/zinc/57/79/94/175577994.db2.gz PMJRXRPCYVPIJX-UHFFFAOYSA-N 2 2 292.427 2.333 50 0 CEAALP Cc1cnn(C2C[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)c1 ZINC000071876778 176286050 /nfs/dbraw/zinc/28/60/50/176286050.db2.gz RXNFCOXKHMXGMF-UHFFFAOYSA-N 2 2 293.374 2.434 50 0 CEAALP CCC[C@@H](C)[NH2+]C1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000095967552 278861232 /nfs/dbraw/zinc/86/12/32/278861232.db2.gz UIAGXYRDJGCPAX-CQSZACIVSA-N 3 2 267.461 2.323 50 0 CEAALP Cc1ccsc1CN(CC[NH+](C)C)Cc1[nH+]ccn1C ZINC000055090941 302302233 /nfs/dbraw/zinc/30/22/33/302302233.db2.gz FNFWNOMMYVVORW-UHFFFAOYSA-N 2 2 292.452 2.354 50 0 CEAALP OCC1(C[NH2+]C2CC[NH+](Cc3ccco3)CC2)CCCC1 ZINC000534581849 328312069 /nfs/dbraw/zinc/31/20/69/328312069.db2.gz SXGUNQRMCVGUBH-UHFFFAOYSA-N 2 2 292.423 2.386 50 0 CEAALP CCc1c[nH+]c(C)nc1N[C@@H](CC)Cn1cc[nH+]c1 ZINC000065381771 522002065 /nfs/dbraw/zinc/00/20/65/522002065.db2.gz ZGASMYPZZKYLNH-ZDUSSCGKSA-N 2 2 259.357 2.435 50 0 CEAALP OC1CCC([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000034991250 361802182 /nfs/dbraw/zinc/80/21/82/361802182.db2.gz MOXPFEIJYBFYPB-UHFFFAOYSA-N 2 2 271.364 2.265 50 0 CEAALP Cc1[nH+]c2ccccc2n1CC[NH2+]C1CCOCC1 ZINC000036304462 361839304 /nfs/dbraw/zinc/83/93/04/361839304.db2.gz RMVMGNOXVPZTOY-UHFFFAOYSA-N 2 2 259.353 2.113 50 0 CEAALP CC[N@H+](CCCNC(=O)[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000040833101 362003840 /nfs/dbraw/zinc/00/38/40/362003840.db2.gz MMNFYQZJXVRCKR-HNNXBMFYSA-N 2 2 289.423 2.019 50 0 CEAALP CC[N@@H+](CCCNC(=O)[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000040833101 362003846 /nfs/dbraw/zinc/00/38/46/362003846.db2.gz MMNFYQZJXVRCKR-HNNXBMFYSA-N 2 2 289.423 2.019 50 0 CEAALP O[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000000279803 343349648 /nfs/dbraw/zinc/34/96/48/343349648.db2.gz JJGZIJKFINXDTR-QGZVFWFLSA-N 2 2 274.408 2.108 50 0 CEAALP O[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000000279803 343349652 /nfs/dbraw/zinc/34/96/52/343349652.db2.gz JJGZIJKFINXDTR-QGZVFWFLSA-N 2 2 274.408 2.108 50 0 CEAALP Cn1c[nH+]cc1CCCO[NH+]=C(N)Cc1ccccc1 ZINC000585137382 345007296 /nfs/dbraw/zinc/00/72/96/345007296.db2.gz WFHDWVOYWNRCCP-UHFFFAOYSA-N 2 2 272.352 2.094 50 0 CEAALP CCn1nc(C[NH2+]CCC[NH+](C)C)c(-c2ccccc2)n1 ZINC000057353473 362579488 /nfs/dbraw/zinc/57/94/88/362579488.db2.gz XMORVTTVNXZFDN-UHFFFAOYSA-N 2 2 287.411 2.006 50 0 CEAALP COc1cccc(OC)c1C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000065370084 362810594 /nfs/dbraw/zinc/81/05/94/362810594.db2.gz VBGZEOBXFHKWJM-AWEZNQCLSA-N 2 2 292.423 2.477 50 0 CEAALP COc1cccc(OC)c1C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000065370084 362810600 /nfs/dbraw/zinc/81/06/00/362810600.db2.gz VBGZEOBXFHKWJM-AWEZNQCLSA-N 2 2 292.423 2.477 50 0 CEAALP COc1cccc(OC)c1C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000065370084 362810603 /nfs/dbraw/zinc/81/06/03/362810603.db2.gz VBGZEOBXFHKWJM-AWEZNQCLSA-N 2 2 292.423 2.477 50 0 CEAALP COc1cccc(OC)c1C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000065370084 362810608 /nfs/dbraw/zinc/81/06/08/362810608.db2.gz VBGZEOBXFHKWJM-AWEZNQCLSA-N 2 2 292.423 2.477 50 0 CEAALP Cc1cc(N2CC[NH2+][C@H](C)C2)nc(-c2ccccc2)[nH+]1 ZINC000065383310 362813970 /nfs/dbraw/zinc/81/39/70/362813970.db2.gz BCCGWKVSHCGIQT-CYBMUJFWSA-N 2 2 268.364 2.250 50 0 CEAALP CC(C)Cn1c2ccccc2nc1C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000065508778 362828158 /nfs/dbraw/zinc/82/81/58/362828158.db2.gz PUUQFEFVOZLDME-CQSZACIVSA-N 2 2 286.423 2.473 50 0 CEAALP CC(C)Cn1c2ccccc2nc1C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000065508778 362828164 /nfs/dbraw/zinc/82/81/64/362828164.db2.gz PUUQFEFVOZLDME-CQSZACIVSA-N 2 2 286.423 2.473 50 0 CEAALP COc1cc(C[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)cc(OC)c1OC ZINC000156065446 188241338 /nfs/dbraw/zinc/24/13/38/188241338.db2.gz MIYPUHVROKUPKC-AAEUAGOBSA-N 2 2 294.395 2.024 50 0 CEAALP COc1cc(C[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)cc(OC)c1OC ZINC000156065446 188241339 /nfs/dbraw/zinc/24/13/39/188241339.db2.gz MIYPUHVROKUPKC-AAEUAGOBSA-N 2 2 294.395 2.024 50 0 CEAALP CN1c2ccccc2Nc2n[nH+]c(N3CC[NH+](C)CC3)cc21 ZINC000075283199 363454428 /nfs/dbraw/zinc/45/44/28/363454428.db2.gz AYCSENXOOYHUNI-UHFFFAOYSA-N 2 2 296.378 2.053 50 0 CEAALP COc1ccnc(C[N@H+](C)C[C@H]2CC[NH+](C)C2(C)C)c1 ZINC000670440516 540411292 /nfs/dbraw/zinc/41/12/92/540411292.db2.gz ODXPZIBKSWUXLT-CYBMUJFWSA-N 2 2 277.412 2.252 50 0 CEAALP COc1ccnc(C[N@@H+](C)C[C@H]2CC[NH+](C)C2(C)C)c1 ZINC000670440516 540411294 /nfs/dbraw/zinc/41/12/94/540411294.db2.gz ODXPZIBKSWUXLT-CYBMUJFWSA-N 2 2 277.412 2.252 50 0 CEAALP COc1ccnc(C[NH+](C)C[C@H]2CC[N@H+](C)C2(C)C)c1 ZINC000670440516 540411297 /nfs/dbraw/zinc/41/12/97/540411297.db2.gz ODXPZIBKSWUXLT-CYBMUJFWSA-N 2 2 277.412 2.252 50 0 CEAALP COc1ccnc(C[NH+](C)C[C@H]2CC[N@@H+](C)C2(C)C)c1 ZINC000670440516 540411300 /nfs/dbraw/zinc/41/13/00/540411300.db2.gz ODXPZIBKSWUXLT-CYBMUJFWSA-N 2 2 277.412 2.252 50 0 CEAALP Cc1[nH+]cc(C[NH2+]CC[C@@H](C)O)n1-c1ccccc1 ZINC000081292733 363710707 /nfs/dbraw/zinc/71/07/07/363710707.db2.gz FXWJKEOBXAXTPM-GFCCVEGCSA-N 2 2 259.353 2.041 50 0 CEAALP CCCOCC[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000082098026 363750071 /nfs/dbraw/zinc/75/00/71/363750071.db2.gz NOAITSDLGOQSOO-ZDUSSCGKSA-N 2 2 251.374 2.026 50 0 CEAALP CCCOCC[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000082098026 363750075 /nfs/dbraw/zinc/75/00/75/363750075.db2.gz NOAITSDLGOQSOO-ZDUSSCGKSA-N 2 2 251.374 2.026 50 0 CEAALP CC[C@H](C(=O)NCc1c[nH+]c(C)cc1C)[NH+]1CCCC1 ZINC000240517168 370779694 /nfs/dbraw/zinc/77/96/94/370779694.db2.gz NWCMGBCKXCXMGO-OAHLLOKOSA-N 2 2 275.396 2.189 50 0 CEAALP Cc1cc(-c2ccc(OCCC[NH+](C)C)nc2)c[nH+]c1N ZINC000096153227 364402193 /nfs/dbraw/zinc/40/21/93/364402193.db2.gz YPFBEMITGHMVPW-UHFFFAOYSA-N 2 2 286.379 2.365 50 0 CEAALP OC1(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)CCCCC1 ZINC000098144477 364535070 /nfs/dbraw/zinc/53/50/70/364535070.db2.gz PNGLQOPGYBAWEB-UHFFFAOYSA-N 2 2 289.423 2.335 50 0 CEAALP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCc1cccc2cccnc21 ZINC000108101864 364715346 /nfs/dbraw/zinc/71/53/46/364715346.db2.gz SSOQXIHJPYJZQL-XJKSGUPXSA-N 2 2 269.392 2.317 50 0 CEAALP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCc1cccc2cccnc21 ZINC000108101864 364715352 /nfs/dbraw/zinc/71/53/52/364715352.db2.gz SSOQXIHJPYJZQL-XJKSGUPXSA-N 2 2 269.392 2.317 50 0 CEAALP C[C@@H](c1ccccc1)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000241588244 370783443 /nfs/dbraw/zinc/78/34/43/370783443.db2.gz PBEYPRWAQHVSEV-ZDUSSCGKSA-N 2 2 256.353 2.293 50 0 CEAALP COCC[NH+]1CCC(CNc2cc[nH+]c(C3CC3)n2)CC1 ZINC000171986354 367653230 /nfs/dbraw/zinc/65/32/30/367653230.db2.gz CWPLHSMANBTLLX-UHFFFAOYSA-N 2 2 290.411 2.124 50 0 CEAALP C[N@H+]1C[C@@H]2C[NH+](Cc3cc(F)ccc3Cl)C[C@@H]2C1 ZINC000193631328 369965079 /nfs/dbraw/zinc/96/50/79/369965079.db2.gz CAXWVMWANXPLLP-TXEJJXNPSA-N 2 2 268.763 2.473 50 0 CEAALP C[N@@H+]1C[C@@H]2C[NH+](Cc3cc(F)ccc3Cl)C[C@@H]2C1 ZINC000193631328 369965081 /nfs/dbraw/zinc/96/50/81/369965081.db2.gz CAXWVMWANXPLLP-TXEJJXNPSA-N 2 2 268.763 2.473 50 0 CEAALP C[NH+]1C[C@@H]2C[N@@H+](Cc3cc(F)ccc3Cl)C[C@@H]2C1 ZINC000193631328 369965084 /nfs/dbraw/zinc/96/50/84/369965084.db2.gz CAXWVMWANXPLLP-TXEJJXNPSA-N 2 2 268.763 2.473 50 0 CEAALP C[NH+]1C[C@@H]2C[N@H+](Cc3cc(F)ccc3Cl)C[C@@H]2C1 ZINC000193631328 369965086 /nfs/dbraw/zinc/96/50/86/369965086.db2.gz CAXWVMWANXPLLP-TXEJJXNPSA-N 2 2 268.763 2.473 50 0 CEAALP C[NH+](C)C[C@]1(CO)CCC[N@H+](C/C=C/c2ccccc2)C1 ZINC000215082521 370173158 /nfs/dbraw/zinc/17/31/58/370173158.db2.gz HVNBAZLFELXGBB-WGLAMXGCSA-N 2 2 288.435 2.336 50 0 CEAALP C[NH+](C)C[C@]1(CO)CCC[N@@H+](C/C=C/c2ccccc2)C1 ZINC000215082521 370173161 /nfs/dbraw/zinc/17/31/61/370173161.db2.gz HVNBAZLFELXGBB-WGLAMXGCSA-N 2 2 288.435 2.336 50 0 CEAALP CCO[C@@H]1C[C@H]([NH2+][C@@H]2C[N@H+](C)C[C@H]2C)C12CCCC2 ZINC000252511543 371452185 /nfs/dbraw/zinc/45/21/85/371452185.db2.gz HWRPGXWRFXTTMB-APIJFGDWSA-N 2 2 266.429 2.264 50 0 CEAALP CCO[C@@H]1C[C@H]([NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)C12CCCC2 ZINC000252511543 371452188 /nfs/dbraw/zinc/45/21/88/371452188.db2.gz HWRPGXWRFXTTMB-APIJFGDWSA-N 2 2 266.429 2.264 50 0 CEAALP CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cccc[nH+]1 ZINC000302470027 379378634 /nfs/dbraw/zinc/37/86/34/379378634.db2.gz UBCPDUOZJQYESA-SFHVURJKSA-N 2 2 297.402 2.155 50 0 CEAALP CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cccc[nH+]1 ZINC000302470027 379378642 /nfs/dbraw/zinc/37/86/42/379378642.db2.gz UBCPDUOZJQYESA-SFHVURJKSA-N 2 2 297.402 2.155 50 0 CEAALP CC(C)Cn1c2ccccc2nc1C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000065508780 394575582 /nfs/dbraw/zinc/57/55/82/394575582.db2.gz PUUQFEFVOZLDME-AWEZNQCLSA-N 2 2 286.423 2.473 50 0 CEAALP CC(C)Cn1c2ccccc2nc1C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000065508780 394575585 /nfs/dbraw/zinc/57/55/85/394575585.db2.gz PUUQFEFVOZLDME-AWEZNQCLSA-N 2 2 286.423 2.473 50 0 CEAALP CCOC(=O)[C@H](CC)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000173491621 395113939 /nfs/dbraw/zinc/11/39/39/395113939.db2.gz RDXRPOFFSFBJKW-GJZGRUSLSA-N 2 2 282.428 2.278 50 0 CEAALP CCOC(=O)[C@H](CC)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000173491621 395113944 /nfs/dbraw/zinc/11/39/44/395113944.db2.gz RDXRPOFFSFBJKW-GJZGRUSLSA-N 2 2 282.428 2.278 50 0 CEAALP C[C@@H](Cn1cccn1)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000035272220 172092598 /nfs/dbraw/zinc/09/25/98/172092598.db2.gz DCHIJPYFVIQDOW-AWEZNQCLSA-N 2 2 281.363 2.247 50 0 CEAALP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)CCCn1cc[nH+]c1 ZINC000071904554 176295580 /nfs/dbraw/zinc/29/55/80/176295580.db2.gz AZIXCFJVNGMBJT-OAHLLOKOSA-N 2 2 292.427 2.044 50 0 CEAALP CC[C@@H]1CCCC[N@H+]1CCNC(=O)CCCn1cc[nH+]c1 ZINC000071904554 176295581 /nfs/dbraw/zinc/29/55/81/176295581.db2.gz AZIXCFJVNGMBJT-OAHLLOKOSA-N 2 2 292.427 2.044 50 0 CEAALP Cc1c[nH]c(C[N@H+]2CCCC[C@@H]2CC[NH+](C)C)c(C)c1=O ZINC000072153561 176327846 /nfs/dbraw/zinc/32/78/46/176327846.db2.gz BMYKYBRGANKVAW-OAHLLOKOSA-N 2 2 291.439 2.298 50 0 CEAALP Cc1c[nH]c(C[N@@H+]2CCCC[C@@H]2CC[NH+](C)C)c(C)c1=O ZINC000072153561 176327848 /nfs/dbraw/zinc/32/78/48/176327848.db2.gz BMYKYBRGANKVAW-OAHLLOKOSA-N 2 2 291.439 2.298 50 0 CEAALP [NH3+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000072267116 176352818 /nfs/dbraw/zinc/35/28/18/176352818.db2.gz LVXYOAXXSAFLMT-NEPJUHHUSA-N 2 2 258.287 2.398 50 0 CEAALP [NH3+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000072267116 176352820 /nfs/dbraw/zinc/35/28/20/176352820.db2.gz LVXYOAXXSAFLMT-NEPJUHHUSA-N 2 2 258.287 2.398 50 0 CEAALP CC[NH+]1CCC(c2nnc(C[NH+]3CCCCC3)n2C)CC1 ZINC000077387249 177262196 /nfs/dbraw/zinc/26/21/96/177262196.db2.gz DBPCHTCEOXZMRB-UHFFFAOYSA-N 2 2 291.443 2.000 50 0 CEAALP CC[NH+](CC)[C@@H](CNC(N)=[NH2+])c1ccccc1Cl ZINC000069656061 279145755 /nfs/dbraw/zinc/14/57/55/279145755.db2.gz RJXRGEFBQIZPOV-LBPRGKRZSA-N 2 2 268.792 2.206 50 0 CEAALP C[N@@H+]1C[C@@H]([NH2+]C[C@H](CCO)c2ccccc2)CC1(C)C ZINC000888099188 628868267 /nfs/dbraw/zinc/86/82/67/628868267.db2.gz XAEIYARTOYZDGB-HOTGVXAUSA-N 2 2 276.424 2.225 50 0 CEAALP C[N@H+]1C[C@@H]([NH2+]C[C@H](CCO)c2ccccc2)CC1(C)C ZINC000888099188 628868270 /nfs/dbraw/zinc/86/82/70/628868270.db2.gz XAEIYARTOYZDGB-HOTGVXAUSA-N 2 2 276.424 2.225 50 0 CEAALP Cc1[nH+]ccn1C[C@@H](C)[N@H+](C)Cc1cscn1 ZINC000823648995 810620494 /nfs/dbraw/zinc/62/04/94/810620494.db2.gz OPDDOYHSBMQADR-SNVBAGLBSA-N 2 2 250.371 2.169 50 0 CEAALP Cc1[nH+]ccn1C[C@@H](C)[N@@H+](C)Cc1cscn1 ZINC000823648995 810620500 /nfs/dbraw/zinc/62/05/00/810620500.db2.gz OPDDOYHSBMQADR-SNVBAGLBSA-N 2 2 250.371 2.169 50 0 CEAALP C[NH+](C)C[C@H]1COCC[N@H+](Cc2ccc3[nH]ccc3c2)C1 ZINC000823690202 810626310 /nfs/dbraw/zinc/62/63/10/810626310.db2.gz NMRBPZRXQPMMIX-OAHLLOKOSA-N 2 2 287.407 2.178 50 0 CEAALP C[NH+](C)C[C@H]1COCC[N@@H+](Cc2ccc3[nH]ccc3c2)C1 ZINC000823690202 810626313 /nfs/dbraw/zinc/62/63/13/810626313.db2.gz NMRBPZRXQPMMIX-OAHLLOKOSA-N 2 2 287.407 2.178 50 0 CEAALP Cc1ccc[nH+]c1N1CCC([N@@H+]2CCC[C@@H](CO)C2)CC1 ZINC000828711121 810837188 /nfs/dbraw/zinc/83/71/88/810837188.db2.gz GSVGXTIQGJXCJY-OAHLLOKOSA-N 2 2 289.423 2.063 50 0 CEAALP Cc1ccc[nH+]c1N1CCC([N@H+]2CCC[C@@H](CO)C2)CC1 ZINC000828711121 810837199 /nfs/dbraw/zinc/83/71/99/810837199.db2.gz GSVGXTIQGJXCJY-OAHLLOKOSA-N 2 2 289.423 2.063 50 0 CEAALP [NH3+]C[C@H]1CC[N@H+](Cc2ccccc2OC(F)(F)F)C1 ZINC000050245307 362411766 /nfs/dbraw/zinc/41/17/66/362411766.db2.gz MANCHPRTWFFCOL-SNVBAGLBSA-N 2 2 274.286 2.366 50 0 CEAALP [NH3+]C[C@H]1CC[N@@H+](Cc2ccccc2OC(F)(F)F)C1 ZINC000050245307 362411771 /nfs/dbraw/zinc/41/17/71/362411771.db2.gz MANCHPRTWFFCOL-SNVBAGLBSA-N 2 2 274.286 2.366 50 0 CEAALP Cc1[nH]cc(-c2cc(Cl)cc3c2O[C@H](C[NH3+])C3)[nH+]1 ZINC000067726140 362920770 /nfs/dbraw/zinc/92/07/70/362920770.db2.gz CLRXTWRHODPWCL-JTQLQIEISA-N 2 2 263.728 2.301 50 0 CEAALP CCCc1c[nH+]c(C)nc1N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000067785666 362924326 /nfs/dbraw/zinc/92/43/26/362924326.db2.gz ASHUFPDWCMPRJF-INIZCTEOSA-N 2 2 274.412 2.317 50 0 CEAALP CCCc1ccc(C[N@@H+]2CCC[C@@](O)(C[NH+](C)C)C2)o1 ZINC000072479004 363139524 /nfs/dbraw/zinc/13/95/24/363139524.db2.gz QOQGTRFZNWIHFJ-MRXNPFEDSA-N 2 2 280.412 2.121 50 0 CEAALP CCCc1ccc(C[N@H+]2CCC[C@@](O)(C[NH+](C)C)C2)o1 ZINC000072479004 363139527 /nfs/dbraw/zinc/13/95/27/363139527.db2.gz QOQGTRFZNWIHFJ-MRXNPFEDSA-N 2 2 280.412 2.121 50 0 CEAALP C[N@H+](Cc1cc(F)ccc1F)C1CC[NH+](C)CC1 ZINC000000277324 361155235 /nfs/dbraw/zinc/15/52/35/361155235.db2.gz JGCFHFWLBNMJQR-UHFFFAOYSA-N 2 2 254.324 2.491 50 0 CEAALP C[N@@H+](Cc1cc(F)ccc1F)C1CC[NH+](C)CC1 ZINC000000277324 361155239 /nfs/dbraw/zinc/15/52/39/361155239.db2.gz JGCFHFWLBNMJQR-UHFFFAOYSA-N 2 2 254.324 2.491 50 0 CEAALP O=C(C[NH+]1CCCCC1)Nc1c2c([nH+]c3c1CCC3)CCC2 ZINC000000354396 361164478 /nfs/dbraw/zinc/16/44/78/361164478.db2.gz PJFRWPUARMDOBO-UHFFFAOYSA-N 2 2 299.418 2.483 50 0 CEAALP CCOc1c(C[NH2+]CCCn2cc[nH+]c2)cccc1OC ZINC000010314058 361350137 /nfs/dbraw/zinc/35/01/37/361350137.db2.gz OFSQVSQIXFGVJE-UHFFFAOYSA-N 2 2 289.379 2.470 50 0 CEAALP [NH3+][C@H]1CCCC[N@H+](Cc2ccc(-c3cc[nH]n3)s2)C1 ZINC000082096530 363750682 /nfs/dbraw/zinc/75/06/82/363750682.db2.gz VMKWLBTVYBGWDT-NSHDSACASA-N 2 2 276.409 2.451 50 0 CEAALP [NH3+][C@H]1CCCC[N@@H+](Cc2ccc(-c3cc[nH]n3)s2)C1 ZINC000082096530 363750684 /nfs/dbraw/zinc/75/06/84/363750684.db2.gz VMKWLBTVYBGWDT-NSHDSACASA-N 2 2 276.409 2.451 50 0 CEAALP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](CCCCCCO)C1 ZINC000082139134 363752089 /nfs/dbraw/zinc/75/20/89/363752089.db2.gz MJKUTAZYYXOFSF-CQSZACIVSA-N 2 2 265.401 2.152 50 0 CEAALP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](CCCCCCO)C1 ZINC000082139134 363752092 /nfs/dbraw/zinc/75/20/92/363752092.db2.gz MJKUTAZYYXOFSF-CQSZACIVSA-N 2 2 265.401 2.152 50 0 CEAALP CN(C)c1ncc(C[NH2+]C[C@H]2CCCn3cc[nH+]c32)s1 ZINC000083855464 363788271 /nfs/dbraw/zinc/78/82/71/363788271.db2.gz NWHPMJPLHQXIKG-LLVKDONJSA-N 2 2 291.424 2.073 50 0 CEAALP C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000237453026 370722766 /nfs/dbraw/zinc/72/27/66/370722766.db2.gz COJJYUHYCIADMI-ZFWWWQNUSA-N 2 2 298.390 2.072 50 0 CEAALP Cc1nc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)oc1C ZINC000095428241 364371951 /nfs/dbraw/zinc/37/19/51/364371951.db2.gz OOAJYJPTQYEIIJ-AWEZNQCLSA-N 2 2 273.336 2.340 50 0 CEAALP Cc1nc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)oc1C ZINC000095428241 364371959 /nfs/dbraw/zinc/37/19/59/364371959.db2.gz OOAJYJPTQYEIIJ-AWEZNQCLSA-N 2 2 273.336 2.340 50 0 CEAALP C[C@H](Cc1ccc2c(c1)OCO2)C[N@@H+]1CCc2[nH+]c[nH]c2C1 ZINC000095369152 364348155 /nfs/dbraw/zinc/34/81/55/364348155.db2.gz MQQXOWYETQDZDB-GFCCVEGCSA-N 2 2 299.374 2.375 50 0 CEAALP C[C@H](Cc1ccc2c(c1)OCO2)C[N@H+]1CCc2[nH+]c[nH]c2C1 ZINC000095369152 364348156 /nfs/dbraw/zinc/34/81/56/364348156.db2.gz MQQXOWYETQDZDB-GFCCVEGCSA-N 2 2 299.374 2.375 50 0 CEAALP c1ccc(NC[C@@H]2CC[N@H+](Cc3cccnc3)C2)[nH+]c1 ZINC000097200663 364476456 /nfs/dbraw/zinc/47/64/56/364476456.db2.gz UTRCZSNMZQYXLB-HNNXBMFYSA-N 2 2 268.364 2.411 50 0 CEAALP c1ccc(NC[C@@H]2CC[N@@H+](Cc3cccnc3)C2)[nH+]c1 ZINC000097200663 364476460 /nfs/dbraw/zinc/47/64/60/364476460.db2.gz UTRCZSNMZQYXLB-HNNXBMFYSA-N 2 2 268.364 2.411 50 0 CEAALP Cc1ccc(-c2ccc(C[N@@H+]3CCO[C@@H](C[NH3+])C3)cc2)o1 ZINC000097532589 364508142 /nfs/dbraw/zinc/50/81/42/364508142.db2.gz NHOMXSJNVCXZPQ-INIZCTEOSA-N 2 2 286.375 2.415 50 0 CEAALP Cc1ccc(-c2ccc(C[N@H+]3CCO[C@@H](C[NH3+])C3)cc2)o1 ZINC000097532589 364508146 /nfs/dbraw/zinc/50/81/46/364508146.db2.gz NHOMXSJNVCXZPQ-INIZCTEOSA-N 2 2 286.375 2.415 50 0 CEAALP CCCO[C@H]1CCC[N@H+](CCn2cc[nH+]c2CC)C1 ZINC000243893252 370790521 /nfs/dbraw/zinc/79/05/21/370790521.db2.gz APTBLAFEGBNRNB-AWEZNQCLSA-N 2 2 265.401 2.337 50 0 CEAALP CCCO[C@H]1CCC[N@@H+](CCn2cc[nH+]c2CC)C1 ZINC000243893252 370790523 /nfs/dbraw/zinc/79/05/23/370790523.db2.gz APTBLAFEGBNRNB-AWEZNQCLSA-N 2 2 265.401 2.337 50 0 CEAALP C(c1noc(C2CCCC2)n1)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000244816836 370801203 /nfs/dbraw/zinc/80/12/03/370801203.db2.gz SPIRIZUWTMQDOK-UHFFFAOYSA-N 2 2 290.411 2.303 50 0 CEAALP C(c1noc(C2CCCC2)n1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000244816836 370801207 /nfs/dbraw/zinc/80/12/07/370801207.db2.gz SPIRIZUWTMQDOK-UHFFFAOYSA-N 2 2 290.411 2.303 50 0 CEAALP CC(C)C[N@@H+]1CCO[C@H](CNc2cc[nH+]c(C(C)C)n2)C1 ZINC000171811829 367619072 /nfs/dbraw/zinc/61/90/72/367619072.db2.gz WUBPQQNHPKVUPC-CQSZACIVSA-N 2 2 292.427 2.369 50 0 CEAALP CC(C)C[N@H+]1CCO[C@H](CNc2cc[nH+]c(C(C)C)n2)C1 ZINC000171811829 367619076 /nfs/dbraw/zinc/61/90/76/367619076.db2.gz WUBPQQNHPKVUPC-CQSZACIVSA-N 2 2 292.427 2.369 50 0 CEAALP [NH3+][C@H]1CC[N@H+](Cc2ccc3c4c2cccc4C(=O)OC3)C1 ZINC000252490742 371445634 /nfs/dbraw/zinc/44/56/34/371445634.db2.gz LAAOICPDNYQHAV-ZDUSSCGKSA-N 2 2 282.343 2.043 50 0 CEAALP [NH3+][C@H]1CC[N@@H+](Cc2ccc3c4c2cccc4C(=O)OC3)C1 ZINC000252490742 371445636 /nfs/dbraw/zinc/44/56/36/371445636.db2.gz LAAOICPDNYQHAV-ZDUSSCGKSA-N 2 2 282.343 2.043 50 0 CEAALP C[N@@H+]1CCC[C@H]2CN(c3[nH]c4ccccc4[nH+]3)CC[C@@H]21 ZINC000270536821 372830670 /nfs/dbraw/zinc/83/06/70/372830670.db2.gz ANGUQGCDOIZSSZ-WFASDCNBSA-N 2 2 270.380 2.483 50 0 CEAALP C[N@H+]1CCC[C@H]2CN(c3[nH]c4ccccc4[nH+]3)CC[C@@H]21 ZINC000270536821 372830677 /nfs/dbraw/zinc/83/06/77/372830677.db2.gz ANGUQGCDOIZSSZ-WFASDCNBSA-N 2 2 270.380 2.483 50 0 CEAALP c1cn(C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c[nH+]1 ZINC000370276199 373621959 /nfs/dbraw/zinc/62/19/59/373621959.db2.gz MSVCIFRSFSNPEJ-INIZCTEOSA-N 2 2 271.364 2.174 50 0 CEAALP c1cn(C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c[nH+]1 ZINC000370276199 373621969 /nfs/dbraw/zinc/62/19/69/373621969.db2.gz MSVCIFRSFSNPEJ-INIZCTEOSA-N 2 2 271.364 2.174 50 0 CEAALP Cc1c[nH]c(CNCC2([NH+](C)C)CCCCC2)[nH+]1 ZINC000657288433 414834317 /nfs/dbraw/zinc/83/43/17/414834317.db2.gz BOKQLVIGLXLVDI-UHFFFAOYSA-N 2 2 250.390 2.072 50 0 CEAALP [NH2+]=C1NC(=[NH2+])N(c2ccccc2Cl)[C@@H](c2ccccc2)N1 ZINC000017025395 274943219 /nfs/dbraw/zinc/94/32/19/274943219.db2.gz AHDYLSZTJRRUMK-ZDUSSCGKSA-N 2 2 299.765 2.488 50 0 CEAALP COc1cccc(OC)c1C[NH2+]CCn1c[nH+]c(C)c1C ZINC000952985658 617306072 /nfs/dbraw/zinc/30/60/72/617306072.db2.gz CFYKJFMIIHFBOO-UHFFFAOYSA-N 2 2 289.379 2.307 50 0 CEAALP Cc1[nH+]c(CN(C)CC[N@H+](C)C2CCCC2)n(C)c1C ZINC000952973896 815086752 /nfs/dbraw/zinc/08/67/52/815086752.db2.gz YUXJKXSMABWUAR-UHFFFAOYSA-N 2 2 278.444 2.343 50 0 CEAALP Cc1[nH+]c(CN(C)CC[N@@H+](C)C2CCCC2)n(C)c1C ZINC000952973896 815086757 /nfs/dbraw/zinc/08/67/57/815086757.db2.gz YUXJKXSMABWUAR-UHFFFAOYSA-N 2 2 278.444 2.343 50 0 CEAALP c1cc(C[NH2+]CCC[NH+]2CCCC2)c2c(c1)OCCCO2 ZINC000036168100 361833247 /nfs/dbraw/zinc/83/32/47/361833247.db2.gz STYNRSSKJBDEPU-UHFFFAOYSA-N 2 2 290.407 2.423 50 0 CEAALP Clc1c[nH+]ccc1NC[C@@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000110696674 344269601 /nfs/dbraw/zinc/26/96/01/344269601.db2.gz MWFKWCPJOVYGPL-NWDGAFQWSA-N 2 2 281.787 2.400 50 0 CEAALP Clc1c[nH+]ccc1NC[C@@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000110696674 344269603 /nfs/dbraw/zinc/26/96/03/344269603.db2.gz MWFKWCPJOVYGPL-NWDGAFQWSA-N 2 2 281.787 2.400 50 0 CEAALP Cn1c([NH2+]Nc2[nH+]cnc3ccccc32)csc1=O ZINC000096935723 344242136 /nfs/dbraw/zinc/24/21/36/344242136.db2.gz ZNZRAWAQDHHTLM-UHFFFAOYSA-N 2 2 273.321 2.154 50 0 CEAALP CC(C)[N@H+](CC[NH2+]C1CCC2(CC1)OCCO2)C1CC1 ZINC000170084506 344484190 /nfs/dbraw/zinc/48/41/90/344484190.db2.gz SLRYZMFVKUDJJB-UHFFFAOYSA-N 2 2 282.428 2.135 50 0 CEAALP CC(C)[N@@H+](CC[NH2+]C1CCC2(CC1)OCCO2)C1CC1 ZINC000170084506 344484191 /nfs/dbraw/zinc/48/41/91/344484191.db2.gz SLRYZMFVKUDJJB-UHFFFAOYSA-N 2 2 282.428 2.135 50 0 CEAALP CCCCc1[nH]c(CN2[C@@H]3CC[C@H]2C[N@H+](C)CC3)c[nH+]1 ZINC000584900141 345003224 /nfs/dbraw/zinc/00/32/24/345003224.db2.gz NTBHXGNHBPKATO-CABCVRRESA-N 2 2 276.428 2.421 50 0 CEAALP CCCCc1[nH]c(CN2[C@@H]3CC[C@H]2C[N@@H+](C)CC3)c[nH+]1 ZINC000584900141 345003227 /nfs/dbraw/zinc/00/32/27/345003227.db2.gz NTBHXGNHBPKATO-CABCVRRESA-N 2 2 276.428 2.421 50 0 CEAALP CCCCc1[nH]cc(CN2[C@@H]3CC[C@H]2C[N@H+](C)CC3)[nH+]1 ZINC000584900141 345003229 /nfs/dbraw/zinc/00/32/29/345003229.db2.gz NTBHXGNHBPKATO-CABCVRRESA-N 2 2 276.428 2.421 50 0 CEAALP CCCCc1[nH]cc(CN2[C@@H]3CC[C@H]2C[N@@H+](C)CC3)[nH+]1 ZINC000584900141 345003233 /nfs/dbraw/zinc/00/32/33/345003233.db2.gz NTBHXGNHBPKATO-CABCVRRESA-N 2 2 276.428 2.421 50 0 CEAALP CCc1[nH+]ccn1CCC(=O)Nc1c[nH+]c2n1CCCC2 ZINC000067724680 362921446 /nfs/dbraw/zinc/92/14/46/362921446.db2.gz JDYCLKYGOSUBCU-UHFFFAOYSA-N 2 2 287.367 2.007 50 0 CEAALP CC[N@H+](C)C[C@@H]1C[NH+](Cc2ccccc2Cl)C[C@@H]1CO ZINC000091440334 180156365 /nfs/dbraw/zinc/15/63/65/180156365.db2.gz VGTRFVNKJFVAGL-HUUCEWRRSA-N 2 2 296.842 2.332 50 0 CEAALP CC[N@@H+](C)C[C@@H]1C[NH+](Cc2ccccc2Cl)C[C@@H]1CO ZINC000091440334 180156369 /nfs/dbraw/zinc/15/63/69/180156369.db2.gz VGTRFVNKJFVAGL-HUUCEWRRSA-N 2 2 296.842 2.332 50 0 CEAALP CC[NH+](C)C[C@@H]1C[N@H+](Cc2ccccc2Cl)C[C@@H]1CO ZINC000091440334 180156371 /nfs/dbraw/zinc/15/63/71/180156371.db2.gz VGTRFVNKJFVAGL-HUUCEWRRSA-N 2 2 296.842 2.332 50 0 CEAALP CC[NH+](C)C[C@@H]1C[N@@H+](Cc2ccccc2Cl)C[C@@H]1CO ZINC000091440334 180156375 /nfs/dbraw/zinc/15/63/75/180156375.db2.gz VGTRFVNKJFVAGL-HUUCEWRRSA-N 2 2 296.842 2.332 50 0 CEAALP Cc1ccc2c(c1)[C@H]([NH2+]C[C@H]1C[N@@H+]3CCC[C@@H]3CO1)CC2 ZINC000095967715 540164903 /nfs/dbraw/zinc/16/49/03/540164903.db2.gz QCJLKNOLAYJCHV-SOLBZPMBSA-N 2 2 286.419 2.435 50 0 CEAALP Cc1ccc2c(c1)[C@H]([NH2+]C[C@H]1C[N@H+]3CCC[C@@H]3CO1)CC2 ZINC000095967715 540164906 /nfs/dbraw/zinc/16/49/06/540164906.db2.gz QCJLKNOLAYJCHV-SOLBZPMBSA-N 2 2 286.419 2.435 50 0 CEAALP C[C@H](c1ncnn1-c1cc[nH+]cc1)[NH+]1CCCCC1 ZINC000670455837 540418453 /nfs/dbraw/zinc/41/84/53/540418453.db2.gz JQCIKAHRNJAIFB-GFCCVEGCSA-N 2 2 257.341 2.209 50 0 CEAALP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc(NC(C)=O)cc1 ZINC000023479837 361599500 /nfs/dbraw/zinc/59/95/00/361599500.db2.gz BZOLDZPVEAVDKB-INIZCTEOSA-N 2 2 275.396 2.219 50 0 CEAALP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc(NC(C)=O)cc1 ZINC000023479837 361599502 /nfs/dbraw/zinc/59/95/02/361599502.db2.gz BZOLDZPVEAVDKB-INIZCTEOSA-N 2 2 275.396 2.219 50 0 CEAALP Cc1cnn(CC[NH2+][C@@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000089702505 363993331 /nfs/dbraw/zinc/99/33/31/363993331.db2.gz YDVRMVFKZPYLLB-GOSISDBHSA-N 2 2 298.434 2.098 50 0 CEAALP Cc1cnn(CC[NH2+][C@@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000089702505 363993338 /nfs/dbraw/zinc/99/33/38/363993338.db2.gz YDVRMVFKZPYLLB-GOSISDBHSA-N 2 2 298.434 2.098 50 0 CEAALP Nc1cc[nH+]c(-c2ccccc2C[NH+]2CCOCC2)c1 ZINC000096162680 364404661 /nfs/dbraw/zinc/40/46/61/364404661.db2.gz BTYKVXOXGLQVSB-UHFFFAOYSA-N 2 2 269.348 2.163 50 0 CEAALP COc1cc(C[N@@H+]2CC[C@H](C[NH3+])C2)cc(Cl)c1OC ZINC000097679751 364515357 /nfs/dbraw/zinc/51/53/57/364515357.db2.gz RXUIOEZHDJAPKJ-SNVBAGLBSA-N 2 2 284.787 2.138 50 0 CEAALP COc1cc(C[N@H+]2CC[C@H](C[NH3+])C2)cc(Cl)c1OC ZINC000097679751 364515363 /nfs/dbraw/zinc/51/53/63/364515363.db2.gz RXUIOEZHDJAPKJ-SNVBAGLBSA-N 2 2 284.787 2.138 50 0 CEAALP Cc1cc(CNc2cc([C@@H]3CCOC3)[nH+]c(N)n2)c[nH+]c1C ZINC000299799511 379142443 /nfs/dbraw/zinc/14/24/43/379142443.db2.gz SCYKXGMJVKOFPJ-CYBMUJFWSA-N 2 2 299.378 2.187 50 0 CEAALP C[C@@H]1C[N@@H+](C2CCN(c3cc[nH+]cc3Cl)CC2)CCO1 ZINC000091453707 135070246 /nfs/dbraw/zinc/07/02/46/135070246.db2.gz UXCGRKGEVPQBKF-GFCCVEGCSA-N 2 2 295.814 2.425 50 0 CEAALP C[C@@H]1C[N@H+](C2CCN(c3cc[nH+]cc3Cl)CC2)CCO1 ZINC000091453707 135070248 /nfs/dbraw/zinc/07/02/48/135070248.db2.gz UXCGRKGEVPQBKF-GFCCVEGCSA-N 2 2 295.814 2.425 50 0 CEAALP CC(C)n1cc[nH+]c1CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000177751867 395156154 /nfs/dbraw/zinc/15/61/54/395156154.db2.gz SQDOWDYEQMUCPP-CQSZACIVSA-N 2 2 262.401 2.134 50 0 CEAALP CC(C)n1cc[nH+]c1CN1CC[N@H+]2CCCC[C@@H]2C1 ZINC000177751867 395156160 /nfs/dbraw/zinc/15/61/60/395156160.db2.gz SQDOWDYEQMUCPP-CQSZACIVSA-N 2 2 262.401 2.134 50 0 CEAALP Cn1cc[nH+]c1CN1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000077489462 177274675 /nfs/dbraw/zinc/27/46/75/177274675.db2.gz XPMVPRFDWFTCDP-HNNXBMFYSA-N 2 2 276.428 2.118 50 0 CEAALP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2cn[nH]c2C)c1 ZINC000078552916 177353639 /nfs/dbraw/zinc/35/36/39/177353639.db2.gz HSITZCRNKOQLGZ-UHFFFAOYSA-N 2 2 272.396 2.460 50 0 CEAALP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2cn[nH]c2C)c1 ZINC000078552916 177353641 /nfs/dbraw/zinc/35/36/41/177353641.db2.gz HSITZCRNKOQLGZ-UHFFFAOYSA-N 2 2 272.396 2.460 50 0 CEAALP COc1cccc(C[N@H+](C)Cc2c[nH+]c(C)n2C)c1 ZINC000667474587 419687417 /nfs/dbraw/zinc/68/74/17/419687417.db2.gz OWYLEHIADHKYTK-UHFFFAOYSA-N 2 2 259.353 2.369 50 0 CEAALP COc1cccc(C[N@@H+](C)Cc2c[nH+]c(C)n2C)c1 ZINC000667474587 419687424 /nfs/dbraw/zinc/68/74/24/419687424.db2.gz OWYLEHIADHKYTK-UHFFFAOYSA-N 2 2 259.353 2.369 50 0 CEAALP CC[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1c(C)nn(C)c1Cl ZINC000952983782 615497689 /nfs/dbraw/zinc/49/76/89/615497689.db2.gz XOCFYAKFNOVZKJ-NSHDSACASA-N 2 2 281.791 2.147 50 0 CEAALP CCC[N@H+](CCO)C1CC[NH+](Cc2ccccc2)CC1 ZINC000003683527 627374938 /nfs/dbraw/zinc/37/49/38/627374938.db2.gz BYEISUDSUJDNQX-UHFFFAOYSA-N 2 2 276.424 2.355 50 0 CEAALP CCC[N@@H+](CCO)C1CC[NH+](Cc2ccccc2)CC1 ZINC000003683527 627374941 /nfs/dbraw/zinc/37/49/41/627374941.db2.gz BYEISUDSUJDNQX-UHFFFAOYSA-N 2 2 276.424 2.355 50 0 CEAALP Cc1c[nH+]ccc1NC(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000097032434 185155840 /nfs/dbraw/zinc/15/58/40/185155840.db2.gz FIQODIRDNWIHOG-ZDUSSCGKSA-N 2 2 276.384 2.196 50 0 CEAALP Cc1c[nH+]ccc1NC(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000097032434 185155842 /nfs/dbraw/zinc/15/58/42/185155842.db2.gz FIQODIRDNWIHOG-ZDUSSCGKSA-N 2 2 276.384 2.196 50 0 CEAALP c1c(CC[NH2+][C@H]2CCCSC2)[nH+]c2ccccn12 ZINC000131102408 344356295 /nfs/dbraw/zinc/35/62/95/344356295.db2.gz FELSFNDRZTUROB-ZDUSSCGKSA-N 2 2 261.394 2.362 50 0 CEAALP Cc1ccccc1[C@H](CNc1cc[nH+]c(C)n1)[NH+](C)C ZINC000584899205 345002671 /nfs/dbraw/zinc/00/26/71/345002671.db2.gz WDYRMMAPIDYYAK-HNNXBMFYSA-N 2 2 270.380 2.230 50 0 CEAALP COc1ccc(Cl)cc1C[NH2+]CCC[NH+](C)C ZINC000057544746 362584504 /nfs/dbraw/zinc/58/45/04/362584504.db2.gz UYHMUCZXQYZDJO-UHFFFAOYSA-N 2 2 256.777 2.390 50 0 CEAALP C=Cc1cccc(C[NH+]2CCN(c3cc[nH+]c(N)n3)CC2)c1 ZINC000065527294 362831704 /nfs/dbraw/zinc/83/17/04/362831704.db2.gz QIYDNMGQJREEOX-UHFFFAOYSA-N 2 2 295.390 2.024 50 0 CEAALP Cc1[nH]cc(-c2cc3c(c(Cl)c2)O[C@H](C[NH3+])C3)[nH+]1 ZINC000067820257 362926862 /nfs/dbraw/zinc/92/68/62/362926862.db2.gz NDNDYDOENHRYJA-JTQLQIEISA-N 2 2 263.728 2.301 50 0 CEAALP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000084131289 540125444 /nfs/dbraw/zinc/12/54/44/540125444.db2.gz GXNQMIDIZFTFHW-CQSZACIVSA-N 2 2 298.390 2.005 50 0 CEAALP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@@H]2CCC[N@H+](C)C2)c1 ZINC000084131289 540125447 /nfs/dbraw/zinc/12/54/47/540125447.db2.gz GXNQMIDIZFTFHW-CQSZACIVSA-N 2 2 298.390 2.005 50 0 CEAALP COc1cc2c(cc1C[NH2+]C1CC[NH+](C)CC1)O[C@@H](C)C2 ZINC000017314104 361508364 /nfs/dbraw/zinc/50/83/64/361508364.db2.gz GBQOAGDSFKKRGM-LBPRGKRZSA-N 2 2 290.407 2.202 50 0 CEAALP CC[C@H](C)[NH+]1CCC([NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000019888882 361563999 /nfs/dbraw/zinc/56/39/99/361563999.db2.gz ZIGZSNQDEOYGCI-IHRRRGAJSA-N 2 2 254.418 2.359 50 0 CEAALP CC(C)Cc1ccc(C[NH2+]C[C@H]2C[N@H+](C)CCN2C)cc1 ZINC000088296672 363888275 /nfs/dbraw/zinc/88/82/75/363888275.db2.gz WUMPGCLNVCIRGN-SFHVURJKSA-N 2 2 289.467 2.221 50 0 CEAALP CC(C)Cc1ccc(C[NH2+]C[C@H]2C[N@@H+](C)CCN2C)cc1 ZINC000088296672 363888281 /nfs/dbraw/zinc/88/82/81/363888281.db2.gz WUMPGCLNVCIRGN-SFHVURJKSA-N 2 2 289.467 2.221 50 0 CEAALP C[C@@H]1C[N@H+](C2CCN(c3cc[nH+]cc3F)CC2)C[C@H](C)O1 ZINC000095370597 364349948 /nfs/dbraw/zinc/34/99/48/364349948.db2.gz PMWCWFGWMFLTEU-BETUJISGSA-N 2 2 293.386 2.299 50 0 CEAALP C[C@@H]1C[N@@H+](C2CCN(c3cc[nH+]cc3F)CC2)C[C@H](C)O1 ZINC000095370597 364349949 /nfs/dbraw/zinc/34/99/49/364349949.db2.gz PMWCWFGWMFLTEU-BETUJISGSA-N 2 2 293.386 2.299 50 0 CEAALP Oc1cccc(C[N@@H+]2CCCO[C@H](C[NH+]3CCCC3)C2)c1 ZINC000097759296 364519427 /nfs/dbraw/zinc/51/94/27/364519427.db2.gz QROUNXUCLDHIMQ-QGZVFWFLSA-N 2 2 290.407 2.079 50 0 CEAALP Oc1cccc(C[N@H+]2CCCO[C@H](C[NH+]3CCCC3)C2)c1 ZINC000097759296 364519437 /nfs/dbraw/zinc/51/94/37/364519437.db2.gz QROUNXUCLDHIMQ-QGZVFWFLSA-N 2 2 290.407 2.079 50 0 CEAALP C[NH+](C)CCc1ccc(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)cc1 ZINC000585122161 367181772 /nfs/dbraw/zinc/18/17/72/367181772.db2.gz OTNRWJKKUWOFKO-HUUCEWRRSA-N 2 2 298.390 2.256 50 0 CEAALP C[NH+](C)CCc1ccc(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cc1 ZINC000585122161 367181774 /nfs/dbraw/zinc/18/17/74/367181774.db2.gz OTNRWJKKUWOFKO-HUUCEWRRSA-N 2 2 298.390 2.256 50 0 CEAALP Cc1n[nH]c(C[N@@H+]2CCC[C@H](Cn3cc[nH+]c3)C2)c1Cl ZINC000215629010 370177966 /nfs/dbraw/zinc/17/79/66/370177966.db2.gz NUTKXNZHKWHDCN-LBPRGKRZSA-N 2 2 293.802 2.480 50 0 CEAALP Cc1n[nH]c(C[N@H+]2CCC[C@H](Cn3cc[nH+]c3)C2)c1Cl ZINC000215629010 370177970 /nfs/dbraw/zinc/17/79/70/370177970.db2.gz NUTKXNZHKWHDCN-LBPRGKRZSA-N 2 2 293.802 2.480 50 0 CEAALP c1c(C[N@@H+]2CCCC[C@H]2c2cccnc2)nn2c1C[NH2+]CC2 ZINC000216504533 370188951 /nfs/dbraw/zinc/18/89/51/370188951.db2.gz PNIIPMLBRVPOPE-KRWDZBQOSA-N 2 2 297.406 2.109 50 0 CEAALP c1c(C[N@H+]2CCCC[C@H]2c2cccnc2)nn2c1C[NH2+]CC2 ZINC000216504533 370188954 /nfs/dbraw/zinc/18/89/54/370188954.db2.gz PNIIPMLBRVPOPE-KRWDZBQOSA-N 2 2 297.406 2.109 50 0 CEAALP Cc1cc2c(cc1C[NH+]1C[C@H]3CC[C@@H]1C[N@H+](C)C3)OCO2 ZINC000216541424 370189194 /nfs/dbraw/zinc/18/91/94/370189194.db2.gz RUMZQFPHTPVPHO-DZGCQCFKSA-N 2 2 288.391 2.250 50 0 CEAALP Cc1cc2c(cc1C[NH+]1C[C@H]3CC[C@@H]1C[N@@H+](C)C3)OCO2 ZINC000216541424 370189197 /nfs/dbraw/zinc/18/91/97/370189197.db2.gz RUMZQFPHTPVPHO-DZGCQCFKSA-N 2 2 288.391 2.250 50 0 CEAALP Cc1cc2c(cc1C[N@@H+]1C[C@H]3CC[C@@H]1C[NH+](C)C3)OCO2 ZINC000216541424 370189200 /nfs/dbraw/zinc/18/92/00/370189200.db2.gz RUMZQFPHTPVPHO-DZGCQCFKSA-N 2 2 288.391 2.250 50 0 CEAALP Cc1cc2c(cc1C[N@H+]1C[C@H]3CC[C@@H]1C[NH+](C)C3)OCO2 ZINC000216541424 370189203 /nfs/dbraw/zinc/18/92/03/370189203.db2.gz RUMZQFPHTPVPHO-DZGCQCFKSA-N 2 2 288.391 2.250 50 0 CEAALP c1ccc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)nc1 ZINC000236742895 370617815 /nfs/dbraw/zinc/61/78/15/370617815.db2.gz QFWASALLBNEHHC-AWEZNQCLSA-N 2 2 268.364 2.411 50 0 CEAALP c1ccc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)nc1 ZINC000236742895 370617820 /nfs/dbraw/zinc/61/78/20/370617820.db2.gz QFWASALLBNEHHC-AWEZNQCLSA-N 2 2 268.364 2.411 50 0 CEAALP Fc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H]2C[NH2+]C[C@H]23)cc1F ZINC000426606673 377422026 /nfs/dbraw/zinc/42/20/26/377422026.db2.gz BCMNZJKBAMFDBI-HGSJOUDDSA-N 2 2 264.319 2.147 50 0 CEAALP Fc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H]2C[NH2+]C[C@H]23)cc1F ZINC000426606673 377422040 /nfs/dbraw/zinc/42/20/40/377422040.db2.gz BCMNZJKBAMFDBI-HGSJOUDDSA-N 2 2 264.319 2.147 50 0 CEAALP C[N@H+](Cc1cnn(-c2ccc(F)cc2)c1)C1CC[NH2+]CC1 ZINC000347003981 218088790 /nfs/dbraw/zinc/08/87/90/218088790.db2.gz AMPOCBVWEBXQDJ-UHFFFAOYSA-N 2 2 288.370 2.195 50 0 CEAALP C[N@@H+](Cc1cnn(-c2ccc(F)cc2)c1)C1CC[NH2+]CC1 ZINC000347003981 218088795 /nfs/dbraw/zinc/08/87/95/218088795.db2.gz AMPOCBVWEBXQDJ-UHFFFAOYSA-N 2 2 288.370 2.195 50 0 CEAALP c1cnn(C2C[NH+](C[C@@H]3CCC[N@@H+]4CCCC[C@H]34)C2)c1 ZINC000299788319 379139976 /nfs/dbraw/zinc/13/99/76/379139976.db2.gz QLSVSVRUUHJLOT-GOEBONIOSA-N 2 2 274.412 2.004 50 0 CEAALP c1cnn(C2C[NH+](C[C@@H]3CCC[N@H+]4CCCC[C@H]34)C2)c1 ZINC000299788319 379139982 /nfs/dbraw/zinc/13/99/82/379139982.db2.gz QLSVSVRUUHJLOT-GOEBONIOSA-N 2 2 274.412 2.004 50 0 CEAALP CC(C)[C@@H](CO)[NH2+][C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000108324561 400267466 /nfs/dbraw/zinc/26/74/66/400267466.db2.gz MSJFQUBXIAZXIZ-HYVNUMGLSA-N 2 2 276.424 2.428 50 0 CEAALP CC(C)[C@@H](CO)[NH2+][C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000108324561 400267470 /nfs/dbraw/zinc/26/74/70/400267470.db2.gz MSJFQUBXIAZXIZ-HYVNUMGLSA-N 2 2 276.424 2.428 50 0 CEAALP COc1ccc(C[NH+]2CCC([NH3+])CC2)cc1Cl ZINC000038539708 174145454 /nfs/dbraw/zinc/14/54/54/174145454.db2.gz QSZKJZXVVJFDGK-UHFFFAOYSA-N 2 2 254.761 2.272 50 0 CEAALP CC1(C)C[C@H]([NH2+]CC[NH2+]Cc2ccccc2)CCO1 ZINC000039949967 174176694 /nfs/dbraw/zinc/17/66/94/174176694.db2.gz RDARAEKYSXYQPL-OAHLLOKOSA-N 2 2 262.397 2.323 50 0 CEAALP Cc1cc(N[C@@H]2C[C@@H]([NH+]3CCOCC3)C2(C)C)nc(C)[nH+]1 ZINC000657208771 414802711 /nfs/dbraw/zinc/80/27/11/414802711.db2.gz ZZVMBDZBERLQKQ-ZIAGYGMSSA-N 2 2 290.411 2.005 50 0 CEAALP c1cc2c(nc[nH+]c2N2CCC[N@@H+](C3CCCC3)CC2)[nH]1 ZINC000077286269 275064868 /nfs/dbraw/zinc/06/48/68/275064868.db2.gz WMJGYBBFUFJEFZ-UHFFFAOYSA-N 2 2 285.395 2.413 50 0 CEAALP c1cc2c(nc[nH+]c2N2CCC[N@H+](C3CCCC3)CC2)[nH]1 ZINC000077286269 275064869 /nfs/dbraw/zinc/06/48/69/275064869.db2.gz WMJGYBBFUFJEFZ-UHFFFAOYSA-N 2 2 285.395 2.413 50 0 CEAALP CC1(C)C[C@@H]([NH2+][C@@H]2CC[N@H+](CC3CC3)C2)C(C)(C)O1 ZINC000095422202 281319200 /nfs/dbraw/zinc/31/92/00/281319200.db2.gz MFEYQFQKRLINOW-ZIAGYGMSSA-N 2 2 266.429 2.406 50 0 CEAALP CC1(C)C[C@@H]([NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)C(C)(C)O1 ZINC000095422202 281319205 /nfs/dbraw/zinc/31/92/05/281319205.db2.gz MFEYQFQKRLINOW-ZIAGYGMSSA-N 2 2 266.429 2.406 50 0 CEAALP C[C@@H]1CCCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)[C@@H]1C[NH3+] ZINC000156926547 524210803 /nfs/dbraw/zinc/21/08/03/524210803.db2.gz SOOZZLYONFEREC-CZUORRHYSA-N 2 2 298.390 2.072 50 0 CEAALP C[C@@H](C[NH+]1CCCCC1)[NH2+]CCc1nccs1 ZINC000821260066 810564493 /nfs/dbraw/zinc/56/44/93/810564493.db2.gz KALHHKYTPFQVRA-LBPRGKRZSA-N 2 2 253.415 2.150 50 0 CEAALP Fc1cccc([C@]2(C[NH2+]CC[NH+]3CCCC3)CCOC2)c1 ZINC000095511993 185001704 /nfs/dbraw/zinc/00/17/04/185001704.db2.gz RZOFCRRWJHVKCT-KRWDZBQOSA-N 2 2 292.398 2.169 50 0 CEAALP COC(=O)c1ccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)o1 ZINC000095962943 185044220 /nfs/dbraw/zinc/04/42/20/185044220.db2.gz MZSDPSJVEKTIOO-NSHDSACASA-N 2 2 289.335 2.169 50 0 CEAALP COC(=O)c1ccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)o1 ZINC000095962943 185044221 /nfs/dbraw/zinc/04/42/21/185044221.db2.gz MZSDPSJVEKTIOO-NSHDSACASA-N 2 2 289.335 2.169 50 0 CEAALP CCc1nc2n(n1)CCC[C@H]2[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000095969205 185048192 /nfs/dbraw/zinc/04/81/92/185048192.db2.gz INTONLLXHNJPKU-CQSZACIVSA-N 2 2 291.443 2.138 50 0 CEAALP Cc1ccc(OC2CC[NH+](CCn3cc[nH+]c3)CC2)nc1 ZINC000096008566 185063965 /nfs/dbraw/zinc/06/39/65/185063965.db2.gz BXIAESVIJBOLMR-UHFFFAOYSA-N 2 2 286.379 2.130 50 0 CEAALP CCc1csc(CC[NH2+][C@H](C)Cn2cc[nH+]c2)n1 ZINC000584888454 344998901 /nfs/dbraw/zinc/99/89/01/344998901.db2.gz DXONAHVUXFHGHZ-LLVKDONJSA-N 2 2 264.398 2.123 50 0 CEAALP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1nncn1C1CCCCC1 ZINC000067725645 362921764 /nfs/dbraw/zinc/92/17/64/362921764.db2.gz SIRWTOZVTIXURD-CYBMUJFWSA-N 2 2 288.399 2.158 50 0 CEAALP Cn1cc[nH+]c1C1CC[NH+](Cc2nccs2)CC1 ZINC000092003442 180304585 /nfs/dbraw/zinc/30/45/85/180304585.db2.gz UVHDKXWPIAGUJK-UHFFFAOYSA-N 2 2 262.382 2.256 50 0 CEAALP CCOCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000309891515 540345241 /nfs/dbraw/zinc/34/52/41/540345241.db2.gz MNPAQKDQZAHTQG-GOEBONIOSA-N 2 2 262.397 2.276 50 0 CEAALP CCOCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000309891515 540345244 /nfs/dbraw/zinc/34/52/44/540345244.db2.gz MNPAQKDQZAHTQG-GOEBONIOSA-N 2 2 262.397 2.276 50 0 CEAALP Cc1[nH+]cn(CC[NH2+][C@H](C)CCn2cc[nH+]c2C)c1C ZINC000670439902 540410512 /nfs/dbraw/zinc/41/05/12/540410512.db2.gz WDCJOJVEKCKBGA-GFCCVEGCSA-N 3 2 275.400 2.073 50 0 CEAALP c1c[nH+]c([C@@H]2CCC[N@H+](C3CSCCSC3)C2)[nH]1 ZINC000670441936 540411233 /nfs/dbraw/zinc/41/12/33/540411233.db2.gz YNZCBPMZLGZYSD-LLVKDONJSA-N 2 2 283.466 2.438 50 0 CEAALP c1c[nH+]c([C@@H]2CCC[N@@H+](C3CSCCSC3)C2)[nH]1 ZINC000670441936 540411236 /nfs/dbraw/zinc/41/12/36/540411236.db2.gz YNZCBPMZLGZYSD-LLVKDONJSA-N 2 2 283.466 2.438 50 0 CEAALP CC(C)Cn1c[nH+]cc1CNC(=O)C[NH+]1CCCCCC1 ZINC000670455664 540418701 /nfs/dbraw/zinc/41/87/01/540418701.db2.gz CRVWSVOZZVPGEJ-UHFFFAOYSA-N 2 2 292.427 2.031 50 0 CEAALP c1cn2c([nH+]1)[C@H](C[NH2+]Cc1cccc3c1OCCO3)CCC2 ZINC000084358502 363808712 /nfs/dbraw/zinc/80/87/12/363808712.db2.gz MQLWKINCXCVWOD-AWEZNQCLSA-N 2 2 299.374 2.322 50 0 CEAALP C[C@H]([NH2+]C[C@H]1CCCn2cc[nH+]c21)c1nc(C2CC2)no1 ZINC000084667650 363818041 /nfs/dbraw/zinc/81/80/41/363818041.db2.gz RNOIEKJLWCXEBU-CMPLNLGQSA-N 2 2 287.367 2.372 50 0 CEAALP Cc1cc(NCCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)nc[nH+]1 ZINC000095413834 364365232 /nfs/dbraw/zinc/36/52/32/364365232.db2.gz VUKCKHFVUNZBMO-OKILXGFUSA-N 2 2 278.400 2.086 50 0 CEAALP Cc1cc(NCCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)nc[nH+]1 ZINC000095413834 364365234 /nfs/dbraw/zinc/36/52/34/364365234.db2.gz VUKCKHFVUNZBMO-OKILXGFUSA-N 2 2 278.400 2.086 50 0 CEAALP COCC[C@@H](C)[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000095420794 364368109 /nfs/dbraw/zinc/36/81/09/364368109.db2.gz YRHMMUYUGQSCPN-CYBMUJFWSA-N 2 2 259.353 2.387 50 0 CEAALP COc1cc(C[N@@H+]2C[C@@H]3CC[C@H]2C[NH2+]C3)ccc1F ZINC000097660457 364514398 /nfs/dbraw/zinc/51/43/98/364514398.db2.gz KXNKVXUKKRONRY-OLZOCXBDSA-N 2 2 264.344 2.018 50 0 CEAALP COc1cc(C[N@H+]2C[C@@H]3CC[C@H]2C[NH2+]C3)ccc1F ZINC000097660457 364514400 /nfs/dbraw/zinc/51/44/00/364514400.db2.gz KXNKVXUKKRONRY-OLZOCXBDSA-N 2 2 264.344 2.018 50 0 CEAALP c1ccc(NC[C@H]2CC[N@@H+](CCc3ccncc3)C2)[nH+]c1 ZINC000103473829 364658136 /nfs/dbraw/zinc/65/81/36/364658136.db2.gz QZZLVFWIWYRLLY-MRXNPFEDSA-N 2 2 282.391 2.453 50 0 CEAALP c1ccc(NC[C@H]2CC[N@H+](CCc3ccncc3)C2)[nH+]c1 ZINC000103473829 364658142 /nfs/dbraw/zinc/65/81/42/364658142.db2.gz QZZLVFWIWYRLLY-MRXNPFEDSA-N 2 2 282.391 2.453 50 0 CEAALP CCOC(=O)[C@H](C)[C@H](C)[NH2+]Cc1c[nH+]c2c(C)cccn12 ZINC000170086048 367375524 /nfs/dbraw/zinc/37/55/24/367375524.db2.gz NEIQINCKEGHBNN-OLZOCXBDSA-N 2 2 289.379 2.320 50 0 CEAALP CC(C)Cc1ccc(C[N@@H+]2CC[C@@](O)(C[NH+](C)C)C2)s1 ZINC000215328689 370174622 /nfs/dbraw/zinc/17/46/22/370174622.db2.gz WLJHRBFTBTWTGH-MRXNPFEDSA-N 2 2 296.480 2.445 50 0 CEAALP CC(C)Cc1ccc(C[N@H+]2CC[C@@](O)(C[NH+](C)C)C2)s1 ZINC000215328689 370174624 /nfs/dbraw/zinc/17/46/24/370174624.db2.gz WLJHRBFTBTWTGH-MRXNPFEDSA-N 2 2 296.480 2.445 50 0 CEAALP COc1ccc(C[NH+]2CCN(c3cc[nH+]c(C)c3)CC2)cn1 ZINC000215718655 370179503 /nfs/dbraw/zinc/17/95/03/370179503.db2.gz HCISAFVTYKHNIN-UHFFFAOYSA-N 2 2 298.390 2.116 50 0 CEAALP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NCc1[nH]cc[nH+]1 ZINC000248387834 371184711 /nfs/dbraw/zinc/18/47/11/371184711.db2.gz BYEIDLIPFBAKLB-UKRRQHHQSA-N 2 2 270.380 2.020 50 0 CEAALP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NCc1[nH]cc[nH+]1 ZINC000248387834 371184716 /nfs/dbraw/zinc/18/47/16/371184716.db2.gz BYEIDLIPFBAKLB-UKRRQHHQSA-N 2 2 270.380 2.020 50 0 CEAALP CCC[NH+]1CCC([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000250014032 371374222 /nfs/dbraw/zinc/37/42/22/371374222.db2.gz QFFBGIKSYVYBRU-CVEARBPZSA-N 3 2 265.445 2.077 50 0 CEAALP CCC[NH+]1CCC([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000250014032 371374227 /nfs/dbraw/zinc/37/42/27/371374227.db2.gz QFFBGIKSYVYBRU-CVEARBPZSA-N 3 2 265.445 2.077 50 0 CEAALP C[C@@H]1CCCN(c2cc(N[C@H]3CC[C@@H](C[NH3+])C3)[nH+]cn2)C1 ZINC000333629335 377807880 /nfs/dbraw/zinc/80/78/80/377807880.db2.gz GHLUQRYTOIHWFI-MCIONIFRSA-N 2 2 289.427 2.252 50 0 CEAALP C[C@@H]1CCCN(c2cc(N[C@H]3CC[C@@H](C[NH3+])C3)nc[nH+]2)C1 ZINC000333629335 377807890 /nfs/dbraw/zinc/80/78/90/377807890.db2.gz GHLUQRYTOIHWFI-MCIONIFRSA-N 2 2 289.427 2.252 50 0 CEAALP CC1=C(C[N@@H+]2CCO[C@H](C[NH3+])C2)C(C)(C)CCC1 ZINC000426662314 395077679 /nfs/dbraw/zinc/07/76/79/395077679.db2.gz RXPWOUAVJUMZJF-CYBMUJFWSA-N 2 2 252.402 2.173 50 0 CEAALP CC1=C(C[N@H+]2CCO[C@H](C[NH3+])C2)C(C)(C)CCC1 ZINC000426662314 395077682 /nfs/dbraw/zinc/07/76/82/395077682.db2.gz RXPWOUAVJUMZJF-CYBMUJFWSA-N 2 2 252.402 2.173 50 0 CEAALP CCn1c[nH+]cc1C[N@@H+]1CCc2nc(C3CC3)ncc2C1 ZINC000529667658 395427919 /nfs/dbraw/zinc/42/79/19/395427919.db2.gz BIGNHEQXBHBHON-UHFFFAOYSA-N 2 2 283.379 2.129 50 0 CEAALP CCn1c[nH+]cc1C[N@H+]1CCc2nc(C3CC3)ncc2C1 ZINC000529667658 395427923 /nfs/dbraw/zinc/42/79/23/395427923.db2.gz BIGNHEQXBHBHON-UHFFFAOYSA-N 2 2 283.379 2.129 50 0 CEAALP Cc1cc2[nH+]cn(C[C@@H](O)C[NH+]3CCCC3)c2cc1C ZINC000044344419 175164538 /nfs/dbraw/zinc/16/45/38/175164538.db2.gz UNHDGSCDWJGOEL-AWEZNQCLSA-N 2 2 273.380 2.110 50 0 CEAALP COC(=O)C(C)(C)C(C)(C)[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000097037841 277047935 /nfs/dbraw/zinc/04/79/35/277047935.db2.gz QEBODRNPGCIZAJ-NWDGAFQWSA-N 2 2 282.428 2.179 50 0 CEAALP COC(=O)C(C)(C)C(C)(C)[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000097037841 277047936 /nfs/dbraw/zinc/04/79/36/277047936.db2.gz QEBODRNPGCIZAJ-NWDGAFQWSA-N 2 2 282.428 2.179 50 0 CEAALP c1cc(OC2CC[NH+]([C@@H]3CCCOC3)CC2)cc[nH+]1 ZINC000820408717 810552037 /nfs/dbraw/zinc/55/20/37/810552037.db2.gz FQYUYBQAXLTIDF-CYBMUJFWSA-N 2 2 262.353 2.104 50 0 CEAALP CCc1[nH+]ccn1C[C@H](C)[NH2+]Cc1csc(C)n1 ZINC000823557105 810619700 /nfs/dbraw/zinc/61/97/00/810619700.db2.gz CLFIUMYACIFJFN-JTQLQIEISA-N 2 2 264.398 2.389 50 0 CEAALP C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccccc1C(F)(F)F ZINC000095967770 185046193 /nfs/dbraw/zinc/04/61/93/185046193.db2.gz XIORFEPXSVQUNB-QWRGUYRKSA-N 2 2 290.329 2.279 50 0 CEAALP COc1c(C)c[nH+]c(CSCC[NH+]2CCOCC2)c1C ZINC000095977040 185051900 /nfs/dbraw/zinc/05/19/00/185051900.db2.gz BFMUPUCPFLIELW-UHFFFAOYSA-N 2 2 296.436 2.272 50 0 CEAALP C[N@H+](CCCn1cc[nH+]c1)Cc1ccncc1Cl ZINC000095984095 185054920 /nfs/dbraw/zinc/05/49/20/185054920.db2.gz MAVBNJKDUQKDEH-UHFFFAOYSA-N 2 2 264.760 2.454 50 0 CEAALP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccncc1Cl ZINC000095984095 185054921 /nfs/dbraw/zinc/05/49/21/185054921.db2.gz MAVBNJKDUQKDEH-UHFFFAOYSA-N 2 2 264.760 2.454 50 0 CEAALP Clc1ccccc1N1CC[NH+](C2CC[NH2+]CC2)CC1 ZINC000043501201 362145290 /nfs/dbraw/zinc/14/52/90/362145290.db2.gz QEEWFXMEMJTKRG-UHFFFAOYSA-N 2 2 279.815 2.214 50 0 CEAALP Cc1nn(C)c(Cl)c1C[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000075818771 343868049 /nfs/dbraw/zinc/86/80/49/343868049.db2.gz NNNBRLAQMUCGHA-LLVKDONJSA-N 2 2 284.835 2.203 50 0 CEAALP Cc1c[nH+]ccc1CC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000090846706 344144228 /nfs/dbraw/zinc/14/42/28/344144228.db2.gz KRVUXSIRONEJNX-JKSUJKDBSA-N 3 2 259.397 2.149 50 0 CEAALP Cc1c[nH+]ccc1CC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000090846706 344144230 /nfs/dbraw/zinc/14/42/30/344144230.db2.gz KRVUXSIRONEJNX-JKSUJKDBSA-N 3 2 259.397 2.149 50 0 CEAALP Cc1[nH+]c[nH]c1C[N@@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000584886871 344998166 /nfs/dbraw/zinc/99/81/66/344998166.db2.gz ZBERCIVRBQWZRS-CQSZACIVSA-N 2 2 257.337 2.371 50 0 CEAALP Cc1[nH+]c[nH]c1C[N@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000584886871 344998168 /nfs/dbraw/zinc/99/81/68/344998168.db2.gz ZBERCIVRBQWZRS-CQSZACIVSA-N 2 2 257.337 2.371 50 0 CEAALP CCCc1nc(N2CCC[N@@H+]3CCC[C@H]3C2)cc(C)[nH+]1 ZINC000065372295 362813045 /nfs/dbraw/zinc/81/30/45/362813045.db2.gz VBCQNHUPWYQGTG-AWEZNQCLSA-N 2 2 274.412 2.412 50 0 CEAALP CCCc1nc(N2CCC[N@H+]3CCC[C@H]3C2)cc(C)[nH+]1 ZINC000065372295 362813047 /nfs/dbraw/zinc/81/30/47/362813047.db2.gz VBCQNHUPWYQGTG-AWEZNQCLSA-N 2 2 274.412 2.412 50 0 CEAALP c1c[nH+]c(-c2ccc(OCCC[NH+]3CCOCC3)cc2)[nH]1 ZINC000067821070 362927308 /nfs/dbraw/zinc/92/73/08/362927308.db2.gz NOGSLVLMHZVAJS-UHFFFAOYSA-N 2 2 287.363 2.178 50 0 CEAALP CC(C)[NH+]1CCC(c2[nH+]ccn2CCC[NH+](C)C)CC1 ZINC000067879263 362930558 /nfs/dbraw/zinc/93/05/58/362930558.db2.gz GIZJAZKJZRYPJK-UHFFFAOYSA-N 3 2 278.444 2.423 50 0 CEAALP CCOCC[NH+]1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000069416497 362964952 /nfs/dbraw/zinc/96/49/52/362964952.db2.gz FSLWRBYSJBIMDS-UHFFFAOYSA-N 2 2 292.427 2.067 50 0 CEAALP Cc1cccc(N2CC[N@H+](Cc3cccnc3)[C@H](C)C2)[nH+]1 ZINC000071908414 363119501 /nfs/dbraw/zinc/11/95/01/363119501.db2.gz XEDBXMOOPFELJV-OAHLLOKOSA-N 2 2 282.391 2.496 50 0 CEAALP Cc1cccc(N2CC[N@@H+](Cc3cccnc3)[C@H](C)C2)[nH+]1 ZINC000071908414 363119506 /nfs/dbraw/zinc/11/95/06/363119506.db2.gz XEDBXMOOPFELJV-OAHLLOKOSA-N 2 2 282.391 2.496 50 0 CEAALP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1nc(CC(C)C)no1 ZINC000136290103 366506180 /nfs/dbraw/zinc/50/61/80/366506180.db2.gz HGFQSNCZGUVZIH-UHFFFAOYSA-N 2 2 291.399 2.295 50 0 CEAALP Cc1[nH+]ccn1CCC[N@H+](C)Cc1nc(CC(C)C)no1 ZINC000136290103 366506187 /nfs/dbraw/zinc/50/61/87/366506187.db2.gz HGFQSNCZGUVZIH-UHFFFAOYSA-N 2 2 291.399 2.295 50 0 CEAALP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)s1 ZINC000093664242 364213006 /nfs/dbraw/zinc/21/30/06/364213006.db2.gz BUXDSSIWEDIUEL-AWEZNQCLSA-N 2 2 280.437 2.211 50 0 CEAALP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)s1 ZINC000093664242 364213014 /nfs/dbraw/zinc/21/30/14/364213014.db2.gz BUXDSSIWEDIUEL-AWEZNQCLSA-N 2 2 280.437 2.211 50 0 CEAALP C[C@@H]([NH2+][C@@H](C)C(=O)NC1CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000095401963 364360118 /nfs/dbraw/zinc/36/01/18/364360118.db2.gz KQQXONODNPGVMS-OLZOCXBDSA-N 2 2 298.390 2.190 50 0 CEAALP Cc1c[nH+]ccc1N1CC[NH+](Cc2nccs2)CC1 ZINC000097757814 364517791 /nfs/dbraw/zinc/51/77/91/364517791.db2.gz SDTUXEYAKHCJJD-UHFFFAOYSA-N 2 2 274.393 2.169 50 0 CEAALP OC[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000102888293 364615498 /nfs/dbraw/zinc/61/54/98/364615498.db2.gz HDZHINIBJPXWGT-QGZVFWFLSA-N 2 2 297.402 2.374 50 0 CEAALP CC(C)Cc1nc(C[N@H+](C)C[C@H]2CC[C@@H]([NH3+])CC2)no1 ZINC000244882491 370802342 /nfs/dbraw/zinc/80/23/42/370802342.db2.gz XSXCPQHLIWDDOS-BETUJISGSA-N 2 2 280.416 2.217 50 0 CEAALP CC(C)Cc1nc(C[N@@H+](C)C[C@H]2CC[C@@H]([NH3+])CC2)no1 ZINC000244882491 370802346 /nfs/dbraw/zinc/80/23/46/370802346.db2.gz XSXCPQHLIWDDOS-BETUJISGSA-N 2 2 280.416 2.217 50 0 CEAALP [NH3+]C[C@@H](NC(=O)c1cccc(Oc2cc[nH+]cc2)c1)C1CC1 ZINC000170677132 367395940 /nfs/dbraw/zinc/39/59/40/367395940.db2.gz HFDWLNYYYCONPL-MRXNPFEDSA-N 2 2 297.358 2.341 50 0 CEAALP Cc1ccsc1CNc1cc(C2CC([NH3+])C2)[nH+]c(N)n1 ZINC000219414909 370224371 /nfs/dbraw/zinc/22/43/71/370224371.db2.gz BIEYIWJYOSRQRL-UHFFFAOYSA-N 2 2 289.408 2.246 50 0 CEAALP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCc1cccc2cccnc21 ZINC000095410387 184970527 /nfs/dbraw/zinc/97/05/27/184970527.db2.gz SSOQXIHJPYJZQL-BBRMVZONSA-N 2 2 269.392 2.317 50 0 CEAALP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCc1cccc2cccnc21 ZINC000095410387 184970529 /nfs/dbraw/zinc/97/05/29/184970529.db2.gz SSOQXIHJPYJZQL-BBRMVZONSA-N 2 2 269.392 2.317 50 0 CEAALP [NH3+][C@@H]1CCN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000262514388 131228263 /nfs/dbraw/zinc/22/82/63/131228263.db2.gz QQXZOSVMNFTBPQ-CYBMUJFWSA-N 2 2 283.331 2.047 50 0 CEAALP CC(C)n1cc[nH+]c1CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000244816875 394496792 /nfs/dbraw/zinc/49/67/92/394496792.db2.gz SQDOWDYEQMUCPP-AWEZNQCLSA-N 2 2 262.401 2.134 50 0 CEAALP CC(C)n1cc[nH+]c1CN1CC[N@H+]2CCCC[C@H]2C1 ZINC000244816875 394496797 /nfs/dbraw/zinc/49/67/97/394496797.db2.gz SQDOWDYEQMUCPP-AWEZNQCLSA-N 2 2 262.401 2.134 50 0 CEAALP Cc1occc1C[NH+]1CCC([N@@H+]2CCC[C@@H](O)C2)CC1 ZINC000020211611 171074538 /nfs/dbraw/zinc/07/45/38/171074538.db2.gz SVOKDPMFCPBOIO-MRXNPFEDSA-N 2 2 278.396 2.009 50 0 CEAALP Cc1occc1C[NH+]1CCC([N@H+]2CCC[C@@H](O)C2)CC1 ZINC000020211611 171074539 /nfs/dbraw/zinc/07/45/39/171074539.db2.gz SVOKDPMFCPBOIO-MRXNPFEDSA-N 2 2 278.396 2.009 50 0 CEAALP c1coc(C[N@H+]2CCC[C@H](C[NH+]3CCCOCC3)C2)c1 ZINC000020868797 171277417 /nfs/dbraw/zinc/27/74/17/171277417.db2.gz HLBVPGFHSVUIGY-OAHLLOKOSA-N 2 2 278.396 2.214 50 0 CEAALP c1coc(C[N@@H+]2CCC[C@H](C[NH+]3CCCOCC3)C2)c1 ZINC000020868797 171277418 /nfs/dbraw/zinc/27/74/18/171277418.db2.gz HLBVPGFHSVUIGY-OAHLLOKOSA-N 2 2 278.396 2.214 50 0 CEAALP c1coc(C[NH+]2CCC[C@H](C[N@@H+]3CCCOCC3)C2)c1 ZINC000020868797 171277419 /nfs/dbraw/zinc/27/74/19/171277419.db2.gz HLBVPGFHSVUIGY-OAHLLOKOSA-N 2 2 278.396 2.214 50 0 CEAALP c1coc(C[NH+]2CCC[C@H](C[N@H+]3CCCOCC3)C2)c1 ZINC000020868797 171277420 /nfs/dbraw/zinc/27/74/20/171277420.db2.gz HLBVPGFHSVUIGY-OAHLLOKOSA-N 2 2 278.396 2.214 50 0 CEAALP c1[nH]c2c([nH+]1)CC[N@@H+]([C@@H]1CCc3ccccc3C1)C2 ZINC000097570846 275075758 /nfs/dbraw/zinc/07/57/58/275075758.db2.gz FCWGGPJPKYLYFA-CQSZACIVSA-N 2 2 253.349 2.325 50 0 CEAALP c1[nH]c2c([nH+]1)CC[N@H+]([C@@H]1CCc3ccccc3C1)C2 ZINC000097570846 275075759 /nfs/dbraw/zinc/07/57/59/275075759.db2.gz FCWGGPJPKYLYFA-CQSZACIVSA-N 2 2 253.349 2.325 50 0 CEAALP Cc1n[nH]c(C)c1C[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000037156720 815021308 /nfs/dbraw/zinc/02/13/08/815021308.db2.gz SZBFBYMKRJJXEU-CQSZACIVSA-N 2 2 275.400 2.428 50 0 CEAALP C[NH+]1CCC([NH+]2CCN(c3ccccc3F)CC2)CC1 ZINC000003683616 343352653 /nfs/dbraw/zinc/35/26/53/343352653.db2.gz OGTLFZGYLKQZRM-UHFFFAOYSA-N 2 2 277.387 2.042 50 0 CEAALP Cc1cc(F)ccc1N1CCC([NH2+][C@H]2CC[N@@H+](C)C2)CC1 ZINC000584887670 344998343 /nfs/dbraw/zinc/99/83/43/344998343.db2.gz VLYYRTLKUFQVJI-INIZCTEOSA-N 2 2 291.414 2.397 50 0 CEAALP Cc1cc(F)ccc1N1CCC([NH2+][C@H]2CC[N@H+](C)C2)CC1 ZINC000584887670 344998346 /nfs/dbraw/zinc/99/83/46/344998346.db2.gz VLYYRTLKUFQVJI-INIZCTEOSA-N 2 2 291.414 2.397 50 0 CEAALP C[NH+](C)Cc1ccc(C(=O)Nc2c[nH+]c3n2CCCC3)o1 ZINC000067491134 362909868 /nfs/dbraw/zinc/90/98/68/362909868.db2.gz RKZPJZDLOYENCD-UHFFFAOYSA-N 2 2 288.351 2.126 50 0 CEAALP CC[N@@H+]1CCC[C@@H](c2nnc(C[NH+]3CCCCC3)n2C)C1 ZINC000072481431 363139130 /nfs/dbraw/zinc/13/91/30/363139130.db2.gz AQKCXVJFOCYYDO-CQSZACIVSA-N 2 2 291.443 2.000 50 0 CEAALP CC[N@H+]1CCC[C@@H](c2nnc(C[NH+]3CCCCC3)n2C)C1 ZINC000072481431 363139134 /nfs/dbraw/zinc/13/91/34/363139134.db2.gz AQKCXVJFOCYYDO-CQSZACIVSA-N 2 2 291.443 2.000 50 0 CEAALP c1cn(CC2CC[NH+]([C@H]3CCSC3)CC2)c[nH+]1 ZINC000670466136 540424217 /nfs/dbraw/zinc/42/42/17/540424217.db2.gz KLCCRFIRRBKZCF-ZDUSSCGKSA-N 2 2 251.399 2.101 50 0 CEAALP CC(C)N(C(=O)[C@H](C)[N@@H+]1CCC[C@H](C[NH+](C)C)C1)C(C)C ZINC000089856795 364010462 /nfs/dbraw/zinc/01/04/62/364010462.db2.gz BQEKNVSLOIYTCQ-JKSUJKDBSA-N 2 2 297.487 2.294 50 0 CEAALP CC(C)N(C(=O)[C@H](C)[N@H+]1CCC[C@H](C[NH+](C)C)C1)C(C)C ZINC000089856795 364010471 /nfs/dbraw/zinc/01/04/71/364010471.db2.gz BQEKNVSLOIYTCQ-JKSUJKDBSA-N 2 2 297.487 2.294 50 0 CEAALP COC(=O)C(C)(C)C(C)(C)[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000097037840 364427166 /nfs/dbraw/zinc/42/71/66/364427166.db2.gz QEBODRNPGCIZAJ-VXGBXAGGSA-N 2 2 282.428 2.179 50 0 CEAALP COC(=O)C(C)(C)C(C)(C)[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000097037840 364427171 /nfs/dbraw/zinc/42/71/71/364427171.db2.gz QEBODRNPGCIZAJ-VXGBXAGGSA-N 2 2 282.428 2.179 50 0 CEAALP Cc1cc[nH+]c(NC[C@H]2CC[N@@H+](Cc3nccn3C)C2)c1 ZINC000097200770 364475827 /nfs/dbraw/zinc/47/58/27/364475827.db2.gz AOEJEHBRGHWNQC-CQSZACIVSA-N 2 2 285.395 2.058 50 0 CEAALP Cc1cc[nH+]c(NC[C@H]2CC[N@H+](Cc3nccn3C)C2)c1 ZINC000097200770 364475832 /nfs/dbraw/zinc/47/58/32/364475832.db2.gz AOEJEHBRGHWNQC-CQSZACIVSA-N 2 2 285.395 2.058 50 0 CEAALP Cc1ccc(CN(CC[NH+](C)C)c2cc[nH+]c(C)n2)o1 ZINC000097227813 364480589 /nfs/dbraw/zinc/48/05/89/364480589.db2.gz QBUFSZNHIWMGGZ-UHFFFAOYSA-N 2 2 274.368 2.255 50 0 CEAALP C[C@H]1CCC[C@@](CNCc2c[nH+]cn2C)([NH+](C)C)C1 ZINC000112342162 364793938 /nfs/dbraw/zinc/79/39/38/364793938.db2.gz DZOMWXXPSQZLQY-DZGCQCFKSA-N 2 2 264.417 2.020 50 0 CEAALP C[NH+](C)C[C@H]1COCC[N@H+](C/C=C/c2ccccc2)C1 ZINC000215859591 370181169 /nfs/dbraw/zinc/18/11/69/370181169.db2.gz XNGKMBWLGOYEJR-RCMYXZNBSA-N 2 2 274.408 2.210 50 0 CEAALP C[NH+](C)C[C@H]1COCC[N@@H+](C/C=C/c2ccccc2)C1 ZINC000215859591 370181173 /nfs/dbraw/zinc/18/11/73/370181173.db2.gz XNGKMBWLGOYEJR-RCMYXZNBSA-N 2 2 274.408 2.210 50 0 CEAALP C/C1=[NH+]\CC[NH2+]C(C)(C)C/C(C)=[NH+]/CCNC(C)(C)C1 ZINC000022779991 171398613 /nfs/dbraw/zinc/39/86/13/171398613.db2.gz GCDVVDACUSFVPY-HBKJEHTGSA-N 3 2 280.460 2.438 50 0 CEAALP COc1cccc(C[NH2+]CCCn2cc[nH+]c2)c1OC ZINC000035360405 172151808 /nfs/dbraw/zinc/15/18/08/172151808.db2.gz PKLAHTRCOBERSU-UHFFFAOYSA-N 2 2 275.352 2.080 50 0 CEAALP CC[N@@H+]1CCC[C@](O)(C[NH+]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000040714637 279336381 /nfs/dbraw/zinc/33/63/81/279336381.db2.gz TYWJQZWQSUJJSI-QWHCGFSZSA-N 2 2 294.361 2.108 50 0 CEAALP CC[N@H+]1CCC[C@](O)(C[NH+]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000040714637 279336384 /nfs/dbraw/zinc/33/63/84/279336384.db2.gz TYWJQZWQSUJJSI-QWHCGFSZSA-N 2 2 294.361 2.108 50 0 CEAALP CC[NH+]1CCC[C@](O)(C[N@@H+]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000040714637 279336388 /nfs/dbraw/zinc/33/63/88/279336388.db2.gz TYWJQZWQSUJJSI-QWHCGFSZSA-N 2 2 294.361 2.108 50 0 CEAALP CC[NH+]1CCC[C@](O)(C[N@H+]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000040714637 279336392 /nfs/dbraw/zinc/33/63/92/279336392.db2.gz TYWJQZWQSUJJSI-QWHCGFSZSA-N 2 2 294.361 2.108 50 0 CEAALP CCc1[nH+]ccn1C[C@@H](C)[NH2+]Cc1cscn1 ZINC000534636338 328333865 /nfs/dbraw/zinc/33/38/65/328333865.db2.gz IFQZPDDIXPVNEI-SNVBAGLBSA-N 2 2 250.371 2.080 50 0 CEAALP Cc1[nH+]ccn1CC[C@@H](C)[NH2+]Cc1noc(C2CC2)n1 ZINC000534659142 328341930 /nfs/dbraw/zinc/34/19/30/328341930.db2.gz DYZVCKJCSHVWJA-SNVBAGLBSA-N 2 2 275.356 2.020 50 0 CEAALP COCC[N@H+](C)C[C@H]1CCCN1c1cc[nH+]c(C(C)C)n1 ZINC000095944995 185038016 /nfs/dbraw/zinc/03/80/16/185038016.db2.gz BXZCTGUPAFARLW-CQSZACIVSA-N 2 2 292.427 2.147 50 0 CEAALP COCC[N@@H+](C)C[C@H]1CCCN1c1cc[nH+]c(C(C)C)n1 ZINC000095944995 185038018 /nfs/dbraw/zinc/03/80/18/185038018.db2.gz BXZCTGUPAFARLW-CQSZACIVSA-N 2 2 292.427 2.147 50 0 CEAALP c1c(CC[NH2+][C@@H]2CCCSC2)[nH+]c2ccccn12 ZINC000131102204 344356356 /nfs/dbraw/zinc/35/63/56/344356356.db2.gz FELSFNDRZTUROB-CYBMUJFWSA-N 2 2 261.394 2.362 50 0 CEAALP C[NH+](C)Cc1cccc(NC(=O)NCc2ccc[nH+]c2N)c1 ZINC000585137315 345006904 /nfs/dbraw/zinc/00/69/04/345006904.db2.gz SAQXCAUHOVCVMS-UHFFFAOYSA-N 2 2 299.378 2.047 50 0 CEAALP Cc1ccc2c(c1)c(C[NH2+][C@@H](C)Cn1cc[nH+]c1)nn2C ZINC000067460312 362908742 /nfs/dbraw/zinc/90/87/42/362908742.db2.gz SJKUJRYACMVHMI-ZDUSSCGKSA-N 2 2 283.379 2.257 50 0 CEAALP CCc1nc(C)sc1C[N@@H+]1C[C@H]([NH3+])[C@@H](C(C)C)C1 ZINC000091365168 180142324 /nfs/dbraw/zinc/14/23/24/180142324.db2.gz MWXNHEHGHHWGMI-NEPJUHHUSA-N 2 2 267.442 2.429 50 0 CEAALP CCc1nc(C)sc1C[N@H+]1C[C@H]([NH3+])[C@@H](C(C)C)C1 ZINC000091365168 180142326 /nfs/dbraw/zinc/14/23/26/180142326.db2.gz MWXNHEHGHHWGMI-NEPJUHHUSA-N 2 2 267.442 2.429 50 0 CEAALP CS[C@@H]1CCC[C@@H]1[N@H+](C)CCCn1cc[nH+]c1 ZINC000110707694 186314170 /nfs/dbraw/zinc/31/41/70/186314170.db2.gz PISAEYPAHKZEIZ-QWHCGFSZSA-N 2 2 253.415 2.489 50 0 CEAALP CS[C@@H]1CCC[C@@H]1[N@@H+](C)CCCn1cc[nH+]c1 ZINC000110707694 186314171 /nfs/dbraw/zinc/31/41/71/186314171.db2.gz PISAEYPAHKZEIZ-QWHCGFSZSA-N 2 2 253.415 2.489 50 0 CEAALP C[N@H+](CCn1cc[nH+]c1)Cc1cccc(F)c1F ZINC000216097282 538882509 /nfs/dbraw/zinc/88/25/09/538882509.db2.gz PVFQCXMWICGBPA-UHFFFAOYSA-N 2 2 251.280 2.293 50 0 CEAALP C[N@@H+](CCn1cc[nH+]c1)Cc1cccc(F)c1F ZINC000216097282 538882510 /nfs/dbraw/zinc/88/25/10/538882510.db2.gz PVFQCXMWICGBPA-UHFFFAOYSA-N 2 2 251.280 2.293 50 0 CEAALP CN(Cc1c[nH+]cn1C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000177174357 189034360 /nfs/dbraw/zinc/03/43/60/189034360.db2.gz PGZRQRCTEDUEOX-KRWDZBQOSA-N 2 2 298.434 2.374 50 0 CEAALP CN(Cc1c[nH+]cn1C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000177174357 189034361 /nfs/dbraw/zinc/03/43/61/189034361.db2.gz PGZRQRCTEDUEOX-KRWDZBQOSA-N 2 2 298.434 2.374 50 0 CEAALP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)s1 ZINC000093664240 364212728 /nfs/dbraw/zinc/21/27/28/364212728.db2.gz BUXDSSIWEDIUEL-CQSZACIVSA-N 2 2 280.437 2.211 50 0 CEAALP Cc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)s1 ZINC000093664240 364212735 /nfs/dbraw/zinc/21/27/35/364212735.db2.gz BUXDSSIWEDIUEL-CQSZACIVSA-N 2 2 280.437 2.211 50 0 CEAALP CCc1cc(NC[C@H](c2ccco2)[NH+](C)C)nc[nH+]1 ZINC000095354511 364343808 /nfs/dbraw/zinc/34/38/08/364343808.db2.gz YLZQOSFMIHRAIH-GFCCVEGCSA-N 2 2 260.341 2.347 50 0 CEAALP Cc1cc(C)n(C[C@H](C)C[NH2+][C@H]2C[C@H](C)[N@@H+](C3CC3)C2)n1 ZINC000095420429 364368004 /nfs/dbraw/zinc/36/80/04/364368004.db2.gz BVZMLXMXDRUCTQ-INWMFGNUSA-N 2 2 290.455 2.351 50 0 CEAALP Cc1cc(C)n(C[C@H](C)C[NH2+][C@H]2C[C@H](C)[N@H+](C3CC3)C2)n1 ZINC000095420429 364368006 /nfs/dbraw/zinc/36/80/06/364368006.db2.gz BVZMLXMXDRUCTQ-INWMFGNUSA-N 2 2 290.455 2.351 50 0 CEAALP CC(C)(C)c1n[nH]cc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000097159512 364467561 /nfs/dbraw/zinc/46/75/61/364467561.db2.gz UFUXXLGXXXVNFC-UHFFFAOYSA-N 2 2 276.428 2.424 50 0 CEAALP c1ccc(NC[C@@H]2CC[N@H+](Cc3nc(C4CC4)no3)C2)[nH+]c1 ZINC000097200661 364475343 /nfs/dbraw/zinc/47/53/43/364475343.db2.gz KFHOSRXJSHKUNQ-LBPRGKRZSA-N 2 2 299.378 2.276 50 0 CEAALP c1ccc(NC[C@@H]2CC[N@@H+](Cc3nc(C4CC4)no3)C2)[nH+]c1 ZINC000097200661 364475347 /nfs/dbraw/zinc/47/53/47/364475347.db2.gz KFHOSRXJSHKUNQ-LBPRGKRZSA-N 2 2 299.378 2.276 50 0 CEAALP COCC[N@H+](Cc1[nH]c[nH+]c1C)Cc1ccc(OC)cc1 ZINC000244816935 370800860 /nfs/dbraw/zinc/80/08/60/370800860.db2.gz SRJKWHWVNYGTSV-UHFFFAOYSA-N 2 2 289.379 2.375 50 0 CEAALP COCC[N@@H+](Cc1[nH]c[nH+]c1C)Cc1ccc(OC)cc1 ZINC000244816935 370800865 /nfs/dbraw/zinc/80/08/65/370800865.db2.gz SRJKWHWVNYGTSV-UHFFFAOYSA-N 2 2 289.379 2.375 50 0 CEAALP CN(Cc1[nH]cc[nH+]1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000173975968 367967392 /nfs/dbraw/zinc/96/73/92/367967392.db2.gz DPCWYIRNDYRGIW-INIZCTEOSA-N 2 2 284.407 2.364 50 0 CEAALP CN(Cc1[nH]cc[nH+]1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000173975968 367967395 /nfs/dbraw/zinc/96/73/95/367967395.db2.gz DPCWYIRNDYRGIW-INIZCTEOSA-N 2 2 284.407 2.364 50 0 CEAALP Oc1cccc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2)c1 ZINC000188418269 369353133 /nfs/dbraw/zinc/35/31/33/369353133.db2.gz VUKHUFGYAYUODN-CQSZACIVSA-N 2 2 257.337 2.253 50 0 CEAALP Oc1cccc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2)c1 ZINC000188418269 369353138 /nfs/dbraw/zinc/35/31/38/369353138.db2.gz VUKHUFGYAYUODN-CQSZACIVSA-N 2 2 257.337 2.253 50 0 CEAALP C[NH2+][C@@H]1CC[N@@H+]([C@H](C)CCc2ccc3c(c2)OCO3)C1 ZINC000225331812 370289923 /nfs/dbraw/zinc/28/99/23/370289923.db2.gz DQHRZGXCRYKTQL-TZMCWYRMSA-N 2 2 276.380 2.030 50 0 CEAALP C[NH2+][C@@H]1CC[N@H+]([C@H](C)CCc2ccc3c(c2)OCO3)C1 ZINC000225331812 370289932 /nfs/dbraw/zinc/28/99/32/370289932.db2.gz DQHRZGXCRYKTQL-TZMCWYRMSA-N 2 2 276.380 2.030 50 0 CEAALP CC(C)[NH+]1CCC([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000250510932 371385368 /nfs/dbraw/zinc/38/53/68/371385368.db2.gz OVKHQJWGMBCAQB-CVEARBPZSA-N 3 2 265.445 2.076 50 0 CEAALP CC(C)[NH+]1CCC([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000250510932 371385370 /nfs/dbraw/zinc/38/53/70/371385370.db2.gz OVKHQJWGMBCAQB-CVEARBPZSA-N 3 2 265.445 2.076 50 0 CEAALP CC(=O)c1cc(C[N@H+](C)CCCc2[nH+]ccn2C)n(C)c1 ZINC000216051636 394450296 /nfs/dbraw/zinc/45/02/96/394450296.db2.gz DKLQHXGCOCWWGL-UHFFFAOYSA-N 2 2 288.395 2.026 50 0 CEAALP CC(=O)c1cc(C[N@@H+](C)CCCc2[nH+]ccn2C)n(C)c1 ZINC000216051636 394450298 /nfs/dbraw/zinc/45/02/98/394450298.db2.gz DKLQHXGCOCWWGL-UHFFFAOYSA-N 2 2 288.395 2.026 50 0 CEAALP CCC[N@@H+]1CCC[C@@H]1c1nc([C@H](C)n2cc[nH+]c2)no1 ZINC000108503188 400268731 /nfs/dbraw/zinc/26/87/31/400268731.db2.gz OGRVCQRACMIORD-NWDGAFQWSA-N 2 2 275.356 2.422 50 0 CEAALP CCC[N@H+]1CCC[C@@H]1c1nc([C@H](C)n2cc[nH+]c2)no1 ZINC000108503188 400268735 /nfs/dbraw/zinc/26/87/35/400268735.db2.gz OGRVCQRACMIORD-NWDGAFQWSA-N 2 2 275.356 2.422 50 0 CEAALP C[NH+](C)CC(C)(C)C[NH2+]CC(=O)Nc1ccccc1Cl ZINC000002647539 261287659 /nfs/dbraw/zinc/28/76/59/261287659.db2.gz WGJHYBLGVVGNRP-UHFFFAOYSA-N 2 2 297.830 2.456 50 0 CEAALP Cc1nc(NCc2ccc(C[NH3+])cc2)c(C(C)C)c[nH+]1 ZINC000534631030 328331452 /nfs/dbraw/zinc/33/14/52/328331452.db2.gz YWYNVSVFLFDTFW-UHFFFAOYSA-N 2 2 270.380 2.401 50 0 CEAALP Cc1[nH+]ccn1CC[NH+]1CCC(Oc2cccnc2)CC1 ZINC000020864600 810791261 /nfs/dbraw/zinc/79/12/61/810791261.db2.gz BFMNBXURKFITHY-UHFFFAOYSA-N 2 2 286.379 2.130 50 0 CEAALP C[C@@H]([NH2+]C1CC[NH+](Cc2ccco2)CC1)c1cnn(C)c1 ZINC000584892568 345000119 /nfs/dbraw/zinc/00/01/19/345000119.db2.gz SBDCURZFCYITAM-CYBMUJFWSA-N 2 2 288.395 2.328 50 0 CEAALP CC(C)(C)OC(=O)CC[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000055059061 362542984 /nfs/dbraw/zinc/54/29/84/362542984.db2.gz GRILVOVDUPMGOS-UHFFFAOYSA-N 2 2 282.428 2.278 50 0 CEAALP c1cnn([C@@H]2CCCC[C@@H]2[NH2+]CCCn2cc[nH+]c2)c1 ZINC000128323577 187363681 /nfs/dbraw/zinc/36/36/81/187363681.db2.gz CXRHCWFNECHFQD-LSDHHAIUSA-N 2 2 273.384 2.243 50 0 CEAALP Cc1nc([C@@H](C)n2cc[nH+]c2)n(-c2cc[nH+]c(C)c2)n1 ZINC000065407688 362818606 /nfs/dbraw/zinc/81/86/06/362818606.db2.gz VROBCRVAKGJTKV-LLVKDONJSA-N 2 2 268.324 2.085 50 0 CEAALP Cc1[nH+]c[nH]c1CN(C)CCC[NH+]1CCCCCC1 ZINC000065434650 362822470 /nfs/dbraw/zinc/82/24/70/362822470.db2.gz LQZJMRODUCOKNB-UHFFFAOYSA-N 2 2 264.417 2.416 50 0 CEAALP CCCn1nc(C)c(C[NH2+][C@@H]2CC[NH2+]C2(C)C)c1C ZINC000067740405 362921779 /nfs/dbraw/zinc/92/17/79/362921779.db2.gz PACXEUHCUADEPZ-CQSZACIVSA-N 2 2 264.417 2.140 50 0 CEAALP OCC[NH+]1CCC(Cn2cc[nH+]c2[C@H]2CC=CCC2)CC1 ZINC000067834185 362926838 /nfs/dbraw/zinc/92/68/38/362926838.db2.gz TYDKNFLJXWBOHI-INIZCTEOSA-N 2 2 289.423 2.411 50 0 CEAALP c1c[nH]c(-c2ccc(OCCn3cc[nH+]c3)cc2)n1 ZINC000067934057 362932022 /nfs/dbraw/zinc/93/20/22/362932022.db2.gz OVTPPGQJOIIRPO-UHFFFAOYSA-N 2 2 254.293 2.352 50 0 CEAALP c1c[nH+]c(-c2ccc(OCCn3cc[nH+]c3)cc2)[nH]1 ZINC000067934057 362932027 /nfs/dbraw/zinc/93/20/27/362932027.db2.gz OVTPPGQJOIIRPO-UHFFFAOYSA-N 2 2 254.293 2.352 50 0 CEAALP COc1ccccc1C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000585091188 539891294 /nfs/dbraw/zinc/89/12/94/539891294.db2.gz AZDASSDNCAMZGG-INIZCTEOSA-N 2 2 290.407 2.038 50 0 CEAALP COc1ccnc(C[N@@H+](C)C[C@@H]2CC[NH+](C)C2(C)C)c1 ZINC000670440517 540411597 /nfs/dbraw/zinc/41/15/97/540411597.db2.gz ODXPZIBKSWUXLT-ZDUSSCGKSA-N 2 2 277.412 2.252 50 0 CEAALP COc1ccnc(C[NH+](C)C[C@@H]2CC[N@H+](C)C2(C)C)c1 ZINC000670440517 540411600 /nfs/dbraw/zinc/41/16/00/540411600.db2.gz ODXPZIBKSWUXLT-ZDUSSCGKSA-N 2 2 277.412 2.252 50 0 CEAALP COc1ccnc(C[NH+](C)C[C@@H]2CC[N@@H+](C)C2(C)C)c1 ZINC000670440517 540411605 /nfs/dbraw/zinc/41/16/05/540411605.db2.gz ODXPZIBKSWUXLT-ZDUSSCGKSA-N 2 2 277.412 2.252 50 0 CEAALP COc1ccnc(C[N@H+](C)C[C@@H]2CC[NH+](C)C2(C)C)c1 ZINC000670440517 540411594 /nfs/dbraw/zinc/41/15/94/540411594.db2.gz ODXPZIBKSWUXLT-ZDUSSCGKSA-N 2 2 277.412 2.252 50 0 CEAALP CCOc1cc(C[N@H+](C)C2CC[NH+](C)CC2)ccc1O ZINC000003684225 361287970 /nfs/dbraw/zinc/28/79/70/361287970.db2.gz NJKAIQXOZYVXGP-UHFFFAOYSA-N 2 2 278.396 2.317 50 0 CEAALP CCOc1cc(C[N@@H+](C)C2CC[NH+](C)CC2)ccc1O ZINC000003684225 361287978 /nfs/dbraw/zinc/28/79/78/361287978.db2.gz NJKAIQXOZYVXGP-UHFFFAOYSA-N 2 2 278.396 2.317 50 0 CEAALP [NH3+]C[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000016941923 361499675 /nfs/dbraw/zinc/49/96/75/361499675.db2.gz MGIDJIAQVXHRBE-KRWDZBQOSA-N 3 2 287.451 2.322 50 0 CEAALP [NH3+]C[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000016941923 361499680 /nfs/dbraw/zinc/49/96/80/361499680.db2.gz MGIDJIAQVXHRBE-KRWDZBQOSA-N 3 2 287.451 2.322 50 0 CEAALP Clc1c[nH+]ccc1NC[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000090145212 364042391 /nfs/dbraw/zinc/04/23/91/364042391.db2.gz MWFKWCPJOVYGPL-VXGBXAGGSA-N 2 2 281.787 2.400 50 0 CEAALP Clc1c[nH+]ccc1NC[C@@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000090145212 364042394 /nfs/dbraw/zinc/04/23/94/364042394.db2.gz MWFKWCPJOVYGPL-VXGBXAGGSA-N 2 2 281.787 2.400 50 0 CEAALP C[N@H+](Cc1ccncc1)C1CC[NH+](C2CCOCC2)CC1 ZINC000095401511 364359679 /nfs/dbraw/zinc/35/96/79/364359679.db2.gz NNEYVNBRVWAACK-UHFFFAOYSA-N 2 2 289.423 2.157 50 0 CEAALP C[N@@H+](Cc1ccncc1)C1CC[NH+](C2CCOCC2)CC1 ZINC000095401511 364359685 /nfs/dbraw/zinc/35/96/85/364359685.db2.gz NNEYVNBRVWAACK-UHFFFAOYSA-N 2 2 289.423 2.157 50 0 CEAALP C[NH+](C)CCCOC1CCN(c2cccc[nH+]2)CC1 ZINC000096452688 364423906 /nfs/dbraw/zinc/42/39/06/364423906.db2.gz XMVJGXBKNDVMJZ-UHFFFAOYSA-N 2 2 263.385 2.019 50 0 CEAALP Cc1ccc(NC[C@@H]2CC[N@H+](Cc3cnc(C)cn3)C2)[nH+]c1 ZINC000097200533 364475418 /nfs/dbraw/zinc/47/54/18/364475418.db2.gz SGAGYZRMAODJCG-HNNXBMFYSA-N 2 2 297.406 2.422 50 0 CEAALP Cc1ccc(NC[C@@H]2CC[N@@H+](Cc3cnc(C)cn3)C2)[nH+]c1 ZINC000097200533 364475421 /nfs/dbraw/zinc/47/54/21/364475421.db2.gz SGAGYZRMAODJCG-HNNXBMFYSA-N 2 2 297.406 2.422 50 0 CEAALP c1ccc(NC[C@H]2CC[N@H+](Cc3nc(C4CC4)no3)C2)[nH+]c1 ZINC000097200662 364475484 /nfs/dbraw/zinc/47/54/84/364475484.db2.gz KFHOSRXJSHKUNQ-GFCCVEGCSA-N 2 2 299.378 2.276 50 0 CEAALP c1ccc(NC[C@H]2CC[N@@H+](Cc3nc(C4CC4)no3)C2)[nH+]c1 ZINC000097200662 364475491 /nfs/dbraw/zinc/47/54/91/364475491.db2.gz KFHOSRXJSHKUNQ-GFCCVEGCSA-N 2 2 299.378 2.276 50 0 CEAALP CC[N@@H+]1CC[C@@H](C[NH+](C)Cc2nc3cc(F)ccc3[nH]2)C1 ZINC000244858590 370801647 /nfs/dbraw/zinc/80/16/47/370801647.db2.gz VNZBYOJNNFQDQJ-LBPRGKRZSA-N 2 2 290.386 2.476 50 0 CEAALP CC[N@H+]1CC[C@@H](C[NH+](C)Cc2nc3cc(F)ccc3[nH]2)C1 ZINC000244858590 370801649 /nfs/dbraw/zinc/80/16/49/370801649.db2.gz VNZBYOJNNFQDQJ-LBPRGKRZSA-N 2 2 290.386 2.476 50 0 CEAALP CC[NH+]1CC[C@@H](C[N@H+](C)Cc2nc3cc(F)ccc3[nH]2)C1 ZINC000244858590 370801652 /nfs/dbraw/zinc/80/16/52/370801652.db2.gz VNZBYOJNNFQDQJ-LBPRGKRZSA-N 2 2 290.386 2.476 50 0 CEAALP CC[NH+]1CC[C@@H](C[N@@H+](C)Cc2nc3cc(F)ccc3[nH]2)C1 ZINC000244858590 370801654 /nfs/dbraw/zinc/80/16/54/370801654.db2.gz VNZBYOJNNFQDQJ-LBPRGKRZSA-N 2 2 290.386 2.476 50 0 CEAALP c1[nH+]cn(Cc2ccccc2)c1CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000244707952 370795411 /nfs/dbraw/zinc/79/54/11/370795411.db2.gz KKRQSSNLVJVCSQ-QGZVFWFLSA-N 2 2 296.418 2.211 50 0 CEAALP c1[nH+]cn(Cc2ccccc2)c1CN1CC[N@H+]2CCC[C@@H]2C1 ZINC000244707952 370795414 /nfs/dbraw/zinc/79/54/14/370795414.db2.gz KKRQSSNLVJVCSQ-QGZVFWFLSA-N 2 2 296.418 2.211 50 0 CEAALP CCOC(=O)[C@@H](C)[C@H](C)[NH2+]Cc1c[nH+]c2c(C)cccn12 ZINC000170086045 367375566 /nfs/dbraw/zinc/37/55/66/367375566.db2.gz NEIQINCKEGHBNN-STQMWFEESA-N 2 2 289.379 2.320 50 0 CEAALP Nc1cc(C[N@@H+]2CC[C@@H](Oc3cccc(F)c3)C2)cc[nH+]1 ZINC000193546071 369953643 /nfs/dbraw/zinc/95/36/43/369953643.db2.gz CSRKZTGXZBECET-OAHLLOKOSA-N 2 2 287.338 2.456 50 0 CEAALP Nc1cc(C[N@H+]2CC[C@@H](Oc3cccc(F)c3)C2)cc[nH+]1 ZINC000193546071 369953645 /nfs/dbraw/zinc/95/36/45/369953645.db2.gz CSRKZTGXZBECET-OAHLLOKOSA-N 2 2 287.338 2.456 50 0 CEAALP Cc1nnsc1C[N@H+](C)C[C@@H]1CC[NH+](C)C1(C)C ZINC000252491604 371445743 /nfs/dbraw/zinc/44/57/43/371445743.db2.gz LOKZSZQSJFTIJP-NSHDSACASA-N 2 2 268.430 2.009 50 0 CEAALP Cc1nnsc1C[N@@H+](C)C[C@@H]1CC[NH+](C)C1(C)C ZINC000252491604 371445746 /nfs/dbraw/zinc/44/57/46/371445746.db2.gz LOKZSZQSJFTIJP-NSHDSACASA-N 2 2 268.430 2.009 50 0 CEAALP Cc1nnsc1C[NH+](C)C[C@@H]1CC[N@H+](C)C1(C)C ZINC000252491604 371445749 /nfs/dbraw/zinc/44/57/49/371445749.db2.gz LOKZSZQSJFTIJP-NSHDSACASA-N 2 2 268.430 2.009 50 0 CEAALP Cc1nnsc1C[NH+](C)C[C@@H]1CC[N@@H+](C)C1(C)C ZINC000252491604 371445752 /nfs/dbraw/zinc/44/57/52/371445752.db2.gz LOKZSZQSJFTIJP-NSHDSACASA-N 2 2 268.430 2.009 50 0 CEAALP Nc1nc(N2CCCCCCCC2)cc([C@H]2C[C@@H]([NH3+])C2)[nH+]1 ZINC000244574990 394496556 /nfs/dbraw/zinc/49/65/56/394496556.db2.gz CUTCUSRRYGNQSF-BETUJISGSA-N 2 2 289.427 2.424 50 0 CEAALP C[C@H](Cn1cccn1)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000035272223 172092987 /nfs/dbraw/zinc/09/29/87/172092987.db2.gz DCHIJPYFVIQDOW-CQSZACIVSA-N 2 2 281.363 2.247 50 0 CEAALP Cc1cccc(N2CC[NH+](C[C@@](C)([NH3+])C3CC3)CC2)c1 ZINC000037615752 281228044 /nfs/dbraw/zinc/22/80/44/281228044.db2.gz JSBVHTFTBAWIQQ-QGZVFWFLSA-N 2 2 273.424 2.244 50 0 CEAALP Cc1[nH+]ccn1CC[C@H](C)[NH2+]Cc1noc(C2CC2)n1 ZINC000534659139 328341968 /nfs/dbraw/zinc/34/19/68/328341968.db2.gz DYZVCKJCSHVWJA-JTQLQIEISA-N 2 2 275.356 2.020 50 0 CEAALP C[N@@H+]1C[C@H]([NH2+]C[C@H](CCO)c2ccccc2)CC1(C)C ZINC000888099191 628868235 /nfs/dbraw/zinc/86/82/35/628868235.db2.gz XAEIYARTOYZDGB-JKSUJKDBSA-N 2 2 276.424 2.225 50 0 CEAALP C[N@H+]1C[C@H]([NH2+]C[C@H](CCO)c2ccccc2)CC1(C)C ZINC000888099191 628868238 /nfs/dbraw/zinc/86/82/38/628868238.db2.gz XAEIYARTOYZDGB-JKSUJKDBSA-N 2 2 276.424 2.225 50 0 CEAALP C[N@H+](CCC[NH3+])Cc1ccc(Br)cc1F ZINC000097019930 185152726 /nfs/dbraw/zinc/15/27/26/185152726.db2.gz PLFAULYFBJYLLU-UHFFFAOYSA-N 2 2 275.165 2.369 50 0 CEAALP C[N@@H+](CCC[NH3+])Cc1ccc(Br)cc1F ZINC000097019930 185152727 /nfs/dbraw/zinc/15/27/27/185152727.db2.gz PLFAULYFBJYLLU-UHFFFAOYSA-N 2 2 275.165 2.369 50 0 CEAALP Cc1c[nH+]ccc1NC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000097032433 185155857 /nfs/dbraw/zinc/15/58/57/185155857.db2.gz FIQODIRDNWIHOG-CYBMUJFWSA-N 2 2 276.384 2.196 50 0 CEAALP Cc1c[nH+]ccc1NC(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000097032433 185155859 /nfs/dbraw/zinc/15/58/59/185155859.db2.gz FIQODIRDNWIHOG-CYBMUJFWSA-N 2 2 276.384 2.196 50 0 CEAALP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1cn2ccsc2n1 ZINC000095967473 344237911 /nfs/dbraw/zinc/23/79/11/344237911.db2.gz LBJAEHNNSHXXCE-MDZLAQPJSA-N 2 2 278.425 2.214 50 0 CEAALP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1cn2ccsc2n1 ZINC000095967473 344237913 /nfs/dbraw/zinc/23/79/13/344237913.db2.gz LBJAEHNNSHXXCE-MDZLAQPJSA-N 2 2 278.425 2.214 50 0 CEAALP Clc1c[nH+]ccc1NC[C@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000110696669 344269862 /nfs/dbraw/zinc/26/98/62/344269862.db2.gz MWFKWCPJOVYGPL-RYUDHWBXSA-N 2 2 281.787 2.400 50 0 CEAALP Clc1c[nH+]ccc1NC[C@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000110696669 344269864 /nfs/dbraw/zinc/26/98/64/344269864.db2.gz MWFKWCPJOVYGPL-RYUDHWBXSA-N 2 2 281.787 2.400 50 0 CEAALP Cc1cccc2[nH+]c(CC[NH2+][C@H]3CCCOC3)[nH]c21 ZINC000584902483 345003979 /nfs/dbraw/zinc/00/39/79/345003979.db2.gz MHFCEOITNXCDJE-LBPRGKRZSA-N 2 2 259.353 2.182 50 0 CEAALP CCCc1cc(N2CC[NH+](C(C)C)CC2)nc(C)[nH+]1 ZINC000065404608 362818535 /nfs/dbraw/zinc/81/85/35/362818535.db2.gz OSEUPMBRFXJJFW-UHFFFAOYSA-N 2 2 262.401 2.268 50 0 CEAALP CC[N@@H+]1CCC[C@@H]([NH2+]CCc2nc(C)c(C)s2)C1 ZINC000065453581 362824696 /nfs/dbraw/zinc/82/46/96/362824696.db2.gz WARMHSFAFOPFLV-CYBMUJFWSA-N 2 2 267.442 2.376 50 0 CEAALP CC[N@H+]1CCC[C@@H]([NH2+]CCc2nc(C)c(C)s2)C1 ZINC000065453581 362824700 /nfs/dbraw/zinc/82/47/00/362824700.db2.gz WARMHSFAFOPFLV-CYBMUJFWSA-N 2 2 267.442 2.376 50 0 CEAALP COc1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)ccc1F ZINC000067789611 362924128 /nfs/dbraw/zinc/92/41/28/362924128.db2.gz FWJIYBFUNVELFD-MRXNPFEDSA-N 2 2 278.371 2.410 50 0 CEAALP COc1cc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)ccc1F ZINC000067789611 362924131 /nfs/dbraw/zinc/92/41/31/362924131.db2.gz FWJIYBFUNVELFD-MRXNPFEDSA-N 2 2 278.371 2.410 50 0 CEAALP [NH3+][C@@H]1CCCN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000157770469 188337966 /nfs/dbraw/zinc/33/79/66/188337966.db2.gz ITHKKJXXMGNDNF-CQSZACIVSA-N 2 2 297.358 2.437 50 0 CEAALP c1cn(CC2CC[NH+](C[C@@H]3CCCCO3)CC2)c[nH+]1 ZINC000670451078 540416028 /nfs/dbraw/zinc/41/60/28/540416028.db2.gz AJCULJVQPZEPMS-HNNXBMFYSA-N 2 2 263.385 2.164 50 0 CEAALP Cc1ncc(C[N@@H+]2CCC[C@H](C[NH+]3CCCCC3)C2)cn1 ZINC000670452949 540416350 /nfs/dbraw/zinc/41/63/50/540416350.db2.gz HBMSUGXFWWBCCB-MRXNPFEDSA-N 2 2 288.439 2.483 50 0 CEAALP Cc1ncc(C[N@H+]2CCC[C@H](C[NH+]3CCCCC3)C2)cn1 ZINC000670452949 540416353 /nfs/dbraw/zinc/41/63/53/540416353.db2.gz HBMSUGXFWWBCCB-MRXNPFEDSA-N 2 2 288.439 2.483 50 0 CEAALP [NH3+]C[C@H]1CCN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000178520507 189122969 /nfs/dbraw/zinc/12/29/69/189122969.db2.gz ACYNNXMSCBNHFV-CYBMUJFWSA-N 2 2 297.358 2.295 50 0 CEAALP C[NH+]1CCC([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000003683509 361288708 /nfs/dbraw/zinc/28/87/08/361288708.db2.gz NIMOKYKWXKIXRW-UHFFFAOYSA-N 3 2 287.451 2.335 50 0 CEAALP C[NH+]1CCC(NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000003683509 361288713 /nfs/dbraw/zinc/28/87/13/361288713.db2.gz NIMOKYKWXKIXRW-UHFFFAOYSA-N 2 2 287.451 2.335 50 0 CEAALP Cn1cc[nH+]c1N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000013694406 361437515 /nfs/dbraw/zinc/43/75/15/361437515.db2.gz JKKHARXZQHUYIY-UHFFFAOYSA-N 2 2 290.798 2.396 50 0 CEAALP C[NH+](C)CC[C@H]1C[N@H+](C/C=C/c2ccc(F)cc2)CCO1 ZINC000014948044 361461628 /nfs/dbraw/zinc/46/16/28/361461628.db2.gz SEHGBMWVLYNNSH-IDOMTICXSA-N 2 2 292.398 2.491 50 0 CEAALP C[NH+](C)CC[C@H]1C[N@@H+](C/C=C/c2ccc(F)cc2)CCO1 ZINC000014948044 361461635 /nfs/dbraw/zinc/46/16/35/361461635.db2.gz SEHGBMWVLYNNSH-IDOMTICXSA-N 2 2 292.398 2.491 50 0 CEAALP Cc1cccc(N2CCC([N@H+]3CCO[C@@H](C)C3)CC2)[nH+]1 ZINC000157125694 366841366 /nfs/dbraw/zinc/84/13/66/366841366.db2.gz QJZAYBRFZMMFLP-AWEZNQCLSA-N 2 2 275.396 2.080 50 0 CEAALP Cc1cccc(N2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)[nH+]1 ZINC000157125694 366841370 /nfs/dbraw/zinc/84/13/70/366841370.db2.gz QJZAYBRFZMMFLP-AWEZNQCLSA-N 2 2 275.396 2.080 50 0 CEAALP c1[nH]nc2c1C[N@H+](Cc1c[nH+]c(CC3CCCC3)[nH]1)CC2 ZINC000097499698 364507477 /nfs/dbraw/zinc/50/74/77/364507477.db2.gz FWSPUAIWFGTAFA-UHFFFAOYSA-N 2 2 285.395 2.424 50 0 CEAALP c1[nH]nc2c1C[N@@H+](Cc1c[nH+]c(CC3CCCC3)[nH]1)CC2 ZINC000097499698 364507482 /nfs/dbraw/zinc/50/74/82/364507482.db2.gz FWSPUAIWFGTAFA-UHFFFAOYSA-N 2 2 285.395 2.424 50 0 CEAALP C[C@H](CC(=O)Nc1cccc(Cl)c1)[N@@H+]1CC[C@@H]([NH3+])C1 ZINC000097165793 364470728 /nfs/dbraw/zinc/47/07/28/364470728.db2.gz AZVYCHXIUGKISS-ZYHUDNBSSA-N 2 2 281.787 2.090 50 0 CEAALP C[C@H](CC(=O)Nc1cccc(Cl)c1)[N@H+]1CC[C@@H]([NH3+])C1 ZINC000097165793 364470734 /nfs/dbraw/zinc/47/07/34/364470734.db2.gz AZVYCHXIUGKISS-ZYHUDNBSSA-N 2 2 281.787 2.090 50 0 CEAALP Cn1cc([C@H]([NH2+]CCn2cc[nH+]c2)c2ccc(F)cc2)cn1 ZINC000185426440 368805657 /nfs/dbraw/zinc/80/56/57/368805657.db2.gz CYTSLLPFRYQONN-MRXNPFEDSA-N 2 2 299.353 2.135 50 0 CEAALP Nc1nc(N2CCCCCCC2)cc(C2CC([NH3+])C2)[nH+]1 ZINC000223023901 370259635 /nfs/dbraw/zinc/25/96/35/370259635.db2.gz QGSWUQNGJQHKFW-UHFFFAOYSA-N 2 2 275.400 2.034 50 0 CEAALP c1ccc2sc(C[N@H+]3[C@@H]4CC[C@H]3[C@H]3C[NH2+]C[C@H]34)nc2c1 ZINC000426439059 377408628 /nfs/dbraw/zinc/40/86/28/377408628.db2.gz VQGLQBSXQIKUBR-WVKUQDAKSA-N 2 2 285.416 2.479 50 0 CEAALP c1ccc2sc(C[N@@H+]3[C@@H]4CC[C@H]3[C@H]3C[NH2+]C[C@H]34)nc2c1 ZINC000426439059 377408634 /nfs/dbraw/zinc/40/86/34/377408634.db2.gz VQGLQBSXQIKUBR-WVKUQDAKSA-N 2 2 285.416 2.479 50 0 CEAALP C[C@@H]1CCCN(c2cc(N[C@@H]3CC[C@@H](C[NH3+])C3)[nH+]cn2)C1 ZINC000333629336 377807602 /nfs/dbraw/zinc/80/76/02/377807602.db2.gz GHLUQRYTOIHWFI-MGPQQGTHSA-N 2 2 289.427 2.252 50 0 CEAALP C[C@@H]1CCCN(c2cc(N[C@@H]3CC[C@@H](C[NH3+])C3)nc[nH+]2)C1 ZINC000333629336 377807606 /nfs/dbraw/zinc/80/76/06/377807606.db2.gz GHLUQRYTOIHWFI-MGPQQGTHSA-N 2 2 289.427 2.252 50 0 CEAALP CCCc1c[nH+]c(C)nc1NCc1ccc(C[NH3+])cc1 ZINC000534645482 328330798 /nfs/dbraw/zinc/33/07/98/328330798.db2.gz WZBKVSLKEBIACW-UHFFFAOYSA-N 2 2 270.380 2.230 50 0 CEAALP CC(C)[C@@H](NC(=O)C[N@H+](C)C1CCCC1)c1[nH+]ccn1C ZINC000534660600 328339516 /nfs/dbraw/zinc/33/95/16/328339516.db2.gz SCERUHNVMXVSJB-OAHLLOKOSA-N 2 2 292.427 2.108 50 0 CEAALP CC(C)[C@@H](NC(=O)C[N@@H+](C)C1CCCC1)c1[nH+]ccn1C ZINC000534660600 328339517 /nfs/dbraw/zinc/33/95/17/328339517.db2.gz SCERUHNVMXVSJB-OAHLLOKOSA-N 2 2 292.427 2.108 50 0 CEAALP CC(C)[C@H](NC(=O)C[N@H+](C)C1CCCC1)c1[nH+]ccn1C ZINC000534660596 328339633 /nfs/dbraw/zinc/33/96/33/328339633.db2.gz SCERUHNVMXVSJB-HNNXBMFYSA-N 2 2 292.427 2.108 50 0 CEAALP CC(C)[C@H](NC(=O)C[N@@H+](C)C1CCCC1)c1[nH+]ccn1C ZINC000534660596 328339635 /nfs/dbraw/zinc/33/96/35/328339635.db2.gz SCERUHNVMXVSJB-HNNXBMFYSA-N 2 2 292.427 2.108 50 0 CEAALP Cn1c2c([nH+]c1C1CC1)CN(c1[nH+]cnc3[nH]ccc31)CC2 ZINC000084310968 566882199 /nfs/dbraw/zinc/88/21/99/566882199.db2.gz NXVGRUMAEWACPF-UHFFFAOYSA-N 2 2 294.362 2.132 50 0 CEAALP C[N@@H+]1C[C@H]([NH2+]C[C@@H](CCO)c2ccccc2)CC1(C)C ZINC000888099190 628868080 /nfs/dbraw/zinc/86/80/80/628868080.db2.gz XAEIYARTOYZDGB-HZPDHXFCSA-N 2 2 276.424 2.225 50 0 CEAALP C[N@H+]1C[C@H]([NH2+]C[C@@H](CCO)c2ccccc2)CC1(C)C ZINC000888099190 628868084 /nfs/dbraw/zinc/86/80/84/628868084.db2.gz XAEIYARTOYZDGB-HZPDHXFCSA-N 2 2 276.424 2.225 50 0 CEAALP Cc1cccc(N2CCC([NH2+]Cc3cocn3)CC2)[nH+]1 ZINC000191098252 631353372 /nfs/dbraw/zinc/35/33/72/631353372.db2.gz HMLDCMMQBYSPLC-UHFFFAOYSA-N 2 2 272.352 2.137 50 0 CEAALP c1cc(C[NH2+]C2[C@@H]3CC[C@H]2C[N@@H+](Cc2ccccc2)C3)n[nH]1 ZINC000888093461 804451527 /nfs/dbraw/zinc/45/15/27/804451527.db2.gz TUNMICOATSCHDP-BYICEURKSA-N 2 2 296.418 2.410 50 0 CEAALP c1cc(C[NH2+]C2[C@@H]3CC[C@H]2C[N@H+](Cc2ccccc2)C3)n[nH]1 ZINC000888093461 804451533 /nfs/dbraw/zinc/45/15/33/804451533.db2.gz TUNMICOATSCHDP-BYICEURKSA-N 2 2 296.418 2.410 50 0 CEAALP CC[C@@H](Cn1cc[nH+]c1)[NH2+]C1CSCCSC1 ZINC000822619987 810592439 /nfs/dbraw/zinc/59/24/39/810592439.db2.gz VMTAKOXGNUPCBI-NSHDSACASA-N 2 2 271.455 2.100 50 0 CEAALP CCn1nccc1C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000184730074 344508868 /nfs/dbraw/zinc/50/88/68/344508868.db2.gz ZYHWKCBRZALYFY-CQSZACIVSA-N 2 2 287.411 2.091 50 0 CEAALP CCn1nccc1C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000184730074 344508870 /nfs/dbraw/zinc/50/88/70/344508870.db2.gz ZYHWKCBRZALYFY-CQSZACIVSA-N 2 2 287.411 2.091 50 0 CEAALP Cc1nc[nH]c1C[N@@H+](C)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000065434320 362822368 /nfs/dbraw/zinc/82/23/68/362822368.db2.gz QQNLGUUASZXDCY-UHFFFAOYSA-N 2 2 264.417 2.459 50 0 CEAALP Cc1nc[nH]c1C[N@H+](C)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000065434320 362822375 /nfs/dbraw/zinc/82/23/75/362822375.db2.gz QQNLGUUASZXDCY-UHFFFAOYSA-N 2 2 264.417 2.459 50 0 CEAALP Cc1[nH+]c[nH]c1CN(C)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000065434320 362822384 /nfs/dbraw/zinc/82/23/84/362822384.db2.gz QQNLGUUASZXDCY-UHFFFAOYSA-N 2 2 264.417 2.459 50 0 CEAALP OCC[NH+]1CCC(Cn2cc[nH+]c2[C@@H]2CC=CCC2)CC1 ZINC000067834186 362927378 /nfs/dbraw/zinc/92/73/78/362927378.db2.gz TYDKNFLJXWBOHI-MRXNPFEDSA-N 2 2 289.423 2.411 50 0 CEAALP CCOc1ccccc1OCC[N@@H+]1C[C@H]([NH3+])[C@@H](C2CC2)C1 ZINC000091746087 180245505 /nfs/dbraw/zinc/24/55/05/180245505.db2.gz HTUVQPLBBNZCLT-CABCVRRESA-N 2 2 290.407 2.133 50 0 CEAALP CCOc1ccccc1OCC[N@H+]1C[C@H]([NH3+])[C@@H](C2CC2)C1 ZINC000091746087 180245506 /nfs/dbraw/zinc/24/55/06/180245506.db2.gz HTUVQPLBBNZCLT-CABCVRRESA-N 2 2 290.407 2.133 50 0 CEAALP Cc1cc(NCc2cc[nH+]c(N3CCCCC3)c2)nc(N)[nH+]1 ZINC000071811142 363115401 /nfs/dbraw/zinc/11/54/01/363115401.db2.gz HQSZEJMQUIMGTL-UHFFFAOYSA-N 2 2 298.394 2.365 50 0 CEAALP C[C@@H](C1CC[NH+](Cc2ncc[nH]2)CC1)[NH+]1CCCC1 ZINC000072440664 363136124 /nfs/dbraw/zinc/13/61/24/363136124.db2.gz MSQPVRGKKFSIGH-ZDUSSCGKSA-N 2 2 262.401 2.106 50 0 CEAALP COc1ccc(C[NH2+]CCCn2cc[nH+]c2)cc1OC ZINC000004155271 361302763 /nfs/dbraw/zinc/30/27/63/361302763.db2.gz IMPTUTZXMQSODY-UHFFFAOYSA-N 2 2 275.352 2.080 50 0 CEAALP C[N@@H+](Cc1cc[nH]n1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093337031 364166873 /nfs/dbraw/zinc/16/68/73/364166873.db2.gz SLTKFAHLGHDMTR-MRXNPFEDSA-N 2 2 284.407 2.364 50 0 CEAALP C[N@H+](Cc1cc[nH]n1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093337031 364166875 /nfs/dbraw/zinc/16/68/75/364166875.db2.gz SLTKFAHLGHDMTR-MRXNPFEDSA-N 2 2 284.407 2.364 50 0 CEAALP C[NH+](Cc1cc[nH]n1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000093337031 364166878 /nfs/dbraw/zinc/16/68/78/364166878.db2.gz SLTKFAHLGHDMTR-MRXNPFEDSA-N 2 2 284.407 2.364 50 0 CEAALP C[NH+](Cc1cc[nH]n1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000093337031 364166882 /nfs/dbraw/zinc/16/68/82/364166882.db2.gz SLTKFAHLGHDMTR-MRXNPFEDSA-N 2 2 284.407 2.364 50 0 CEAALP Fc1cccc(-n2cc(C[N@@H+]3CCc4[nH+]c[nH]c4C3)cn2)c1 ZINC000095353592 364343892 /nfs/dbraw/zinc/34/38/92/364343892.db2.gz YLRBORHNRJHBMO-UHFFFAOYSA-N 2 2 297.337 2.293 50 0 CEAALP Fc1cccc(-n2cc(C[N@H+]3CCc4[nH+]c[nH]c4C3)cn2)c1 ZINC000095353592 364343898 /nfs/dbraw/zinc/34/38/98/364343898.db2.gz YLRBORHNRJHBMO-UHFFFAOYSA-N 2 2 297.337 2.293 50 0 CEAALP C[C@@H](CC(=O)Nc1cccc(Cl)c1)[N@@H+]1CC[C@@H]([NH3+])C1 ZINC000097165792 364471518 /nfs/dbraw/zinc/47/15/18/364471518.db2.gz AZVYCHXIUGKISS-CMPLNLGQSA-N 2 2 281.787 2.090 50 0 CEAALP C[C@@H](CC(=O)Nc1cccc(Cl)c1)[N@H+]1CC[C@@H]([NH3+])C1 ZINC000097165792 364471524 /nfs/dbraw/zinc/47/15/24/364471524.db2.gz AZVYCHXIUGKISS-CMPLNLGQSA-N 2 2 281.787 2.090 50 0 CEAALP OC[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000102888295 364615322 /nfs/dbraw/zinc/61/53/22/364615322.db2.gz HDZHINIBJPXWGT-KRWDZBQOSA-N 2 2 297.402 2.374 50 0 CEAALP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCO[C@@H](C)C1 ZINC000191862031 369747531 /nfs/dbraw/zinc/74/75/31/369747531.db2.gz QWGQBRRLPVZLLR-AWEZNQCLSA-N 2 2 271.364 2.401 50 0 CEAALP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCO[C@@H](C)C1 ZINC000191862031 369747533 /nfs/dbraw/zinc/74/75/33/369747533.db2.gz QWGQBRRLPVZLLR-AWEZNQCLSA-N 2 2 271.364 2.401 50 0 CEAALP C[C@H](Nc1nc[nH+]c(N)c1Cl)C(C)(C)C[NH+](C)C ZINC000225479706 370298447 /nfs/dbraw/zinc/29/84/47/370298447.db2.gz YMKUTWFYUDVVRL-QMMMGPOBSA-N 2 2 271.796 2.100 50 0 CEAALP C[C@H](Nc1[nH+]cnc(N)c1Cl)C(C)(C)C[NH+](C)C ZINC000225479706 370298450 /nfs/dbraw/zinc/29/84/50/370298450.db2.gz YMKUTWFYUDVVRL-QMMMGPOBSA-N 2 2 271.796 2.100 50 0 CEAALP Cc1c[nH]c([C@H](C)NC(=O)c2ccc(C[NH+](C)C)cc2)[nH+]1 ZINC000426578582 377419485 /nfs/dbraw/zinc/41/94/85/377419485.db2.gz KVZNIQUSOCJSBP-LBPRGKRZSA-N 2 2 286.379 2.271 50 0 CEAALP C[C@H]1C[N@@H+](C2CCN(c3cc[nH+]cc3Cl)CC2)CCO1 ZINC000091453708 135070206 /nfs/dbraw/zinc/07/02/06/135070206.db2.gz UXCGRKGEVPQBKF-LBPRGKRZSA-N 2 2 295.814 2.425 50 0 CEAALP C[C@H]1C[N@H+](C2CCN(c3cc[nH+]cc3Cl)CC2)CCO1 ZINC000091453708 135070207 /nfs/dbraw/zinc/07/02/07/135070207.db2.gz UXCGRKGEVPQBKF-LBPRGKRZSA-N 2 2 295.814 2.425 50 0 CEAALP Cc1[nH+]ccn1CC[N@@H+](C)CC(C)(C)C[NH+]1CCCC1 ZINC000216034161 394450517 /nfs/dbraw/zinc/45/05/17/394450517.db2.gz REKAJSICCCDSNW-UHFFFAOYSA-N 3 2 278.444 2.245 50 0 CEAALP Cc1[nH+]ccn1CC[N@H+](C)CC(C)(C)C[NH+]1CCCC1 ZINC000216034161 394450521 /nfs/dbraw/zinc/45/05/21/394450521.db2.gz REKAJSICCCDSNW-UHFFFAOYSA-N 3 2 278.444 2.245 50 0 CEAALP Cc1nc(NC2CC[NH+](Cc3cccnc3)CC2)cc[nH+]1 ZINC000287695465 400321325 /nfs/dbraw/zinc/32/13/25/400321325.db2.gz KARMXMOXQMHBAL-UHFFFAOYSA-N 2 2 283.379 2.257 50 0 CEAALP C[N@@H+]1CCC[C@H]2CN(c3[nH]c4ccccc4[nH+]3)CC[C@H]21 ZINC000270536814 277085032 /nfs/dbraw/zinc/08/50/32/277085032.db2.gz ANGUQGCDOIZSSZ-SWLSCSKDSA-N 2 2 270.380 2.483 50 0 CEAALP C[N@H+]1CCC[C@H]2CN(c3[nH]c4ccccc4[nH+]3)CC[C@H]21 ZINC000270536814 277085033 /nfs/dbraw/zinc/08/50/33/277085033.db2.gz ANGUQGCDOIZSSZ-SWLSCSKDSA-N 2 2 270.380 2.483 50 0 CEAALP CC[NH+](CC)[C@H](CNC(N)=[NH2+])c1ccccc1Cl ZINC000069656062 279161462 /nfs/dbraw/zinc/16/14/62/279161462.db2.gz RJXRGEFBQIZPOV-GFCCVEGCSA-N 2 2 268.792 2.206 50 0 CEAALP Cc1nc(NCC2([NH+](C)C)CC[NH+](C)CC2)ccc1Cl ZINC000823653505 810621990 /nfs/dbraw/zinc/62/19/90/810621990.db2.gz HHYGSDRQZIJWJG-UHFFFAOYSA-N 2 2 296.846 2.481 50 0 CEAALP COCC[NH+]1CC[C@H](C[N@@H+](C)Cc2ccc(Cl)o2)C1 ZINC000824412330 810700347 /nfs/dbraw/zinc/70/03/47/810700347.db2.gz FPPIJBGPDLKVBI-GFCCVEGCSA-N 2 2 286.803 2.333 50 0 CEAALP COCC[N@@H+]1CC[C@H](C[NH+](C)Cc2ccc(Cl)o2)C1 ZINC000824412330 810700331 /nfs/dbraw/zinc/70/03/31/810700331.db2.gz FPPIJBGPDLKVBI-GFCCVEGCSA-N 2 2 286.803 2.333 50 0 CEAALP COCC[N@H+]1CC[C@H](C[NH+](C)Cc2ccc(Cl)o2)C1 ZINC000824412330 810700337 /nfs/dbraw/zinc/70/03/37/810700337.db2.gz FPPIJBGPDLKVBI-GFCCVEGCSA-N 2 2 286.803 2.333 50 0 CEAALP COCC[NH+]1CC[C@H](C[N@H+](C)Cc2ccc(Cl)o2)C1 ZINC000824412330 810700341 /nfs/dbraw/zinc/70/03/41/810700341.db2.gz FPPIJBGPDLKVBI-GFCCVEGCSA-N 2 2 286.803 2.333 50 0 CEAALP C[C@H]1C[NH2+]CCN1C(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000125972250 187208139 /nfs/dbraw/zinc/20/81/39/187208139.db2.gz LEBDBQGGILARHV-ZDUSSCGKSA-N 2 2 297.358 2.308 50 0 CEAALP Fc1ccc(C[NH+]2CCC([NH2+][C@H]3CCOC3)CC2)cc1 ZINC000088684328 344113091 /nfs/dbraw/zinc/11/30/91/344113091.db2.gz KUYLBXWGCWIWOW-INIZCTEOSA-N 2 2 278.371 2.169 50 0 CEAALP C[N@@H+]1CC[C@H]([NH2+]C2CCN(c3ccc(F)c(F)c3)CC2)C1 ZINC000584889799 344999127 /nfs/dbraw/zinc/99/91/27/344999127.db2.gz WNRXPBBDXQANJG-ZDUSSCGKSA-N 2 2 295.377 2.227 50 0 CEAALP C[N@H+]1CC[C@H]([NH2+]C2CCN(c3ccc(F)c(F)c3)CC2)C1 ZINC000584889799 344999130 /nfs/dbraw/zinc/99/91/30/344999130.db2.gz WNRXPBBDXQANJG-ZDUSSCGKSA-N 2 2 295.377 2.227 50 0 CEAALP Cc1[nH]cc(-c2cc(Cl)cc3c2O[C@@H](C[NH3+])C3)[nH+]1 ZINC000067726142 362921078 /nfs/dbraw/zinc/92/10/78/362921078.db2.gz CLRXTWRHODPWCL-SNVBAGLBSA-N 2 2 263.728 2.301 50 0 CEAALP CCc1csc(C[NH2+][C@@H](C)Cn2cc[nH+]c2)n1 ZINC000067820060 362927427 /nfs/dbraw/zinc/92/74/27/362927427.db2.gz IAJGERBNXUGGRL-JTQLQIEISA-N 2 2 250.371 2.080 50 0 CEAALP [NH3+][C@@H](CO)c1ccc(-c2ccc(N3CCCC3)[nH+]c2)cc1 ZINC000629710022 351482434 /nfs/dbraw/zinc/48/24/34/351482434.db2.gz PXWPMEIZSVAYEK-INIZCTEOSA-N 2 2 283.375 2.341 50 0 CEAALP Cc1cccn2c(C[NH2+][C@@H](CO)Cc3ccccc3)c[nH+]c12 ZINC000152719933 366710100 /nfs/dbraw/zinc/71/01/00/366710100.db2.gz YNIYNUDLZOJZFG-MRXNPFEDSA-N 2 2 295.386 2.336 50 0 CEAALP Cc1cc(CNC(=O)CC[C@H]2CCC[N@@H+](C)C2)cc(C)[nH+]1 ZINC000095366865 364348195 /nfs/dbraw/zinc/34/81/95/364348195.db2.gz ABFZNGWPMHZPTH-OAHLLOKOSA-N 2 2 289.423 2.437 50 0 CEAALP Cc1cc(CNC(=O)CC[C@H]2CCC[N@H+](C)C2)cc(C)[nH+]1 ZINC000095366865 364348197 /nfs/dbraw/zinc/34/81/97/364348197.db2.gz ABFZNGWPMHZPTH-OAHLLOKOSA-N 2 2 289.423 2.437 50 0 CEAALP Cc1cccc(N2CCC([N@H+]3CCO[C@H](C)C3)CC2)[nH+]1 ZINC000157125541 366841056 /nfs/dbraw/zinc/84/10/56/366841056.db2.gz QJZAYBRFZMMFLP-CQSZACIVSA-N 2 2 275.396 2.080 50 0 CEAALP Cc1cccc(N2CCC([N@@H+]3CCO[C@H](C)C3)CC2)[nH+]1 ZINC000157125541 366841067 /nfs/dbraw/zinc/84/10/67/366841067.db2.gz QJZAYBRFZMMFLP-CQSZACIVSA-N 2 2 275.396 2.080 50 0 CEAALP CN(Cc1[nH]cc[nH+]1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000173975985 367967330 /nfs/dbraw/zinc/96/73/30/367967330.db2.gz DPCWYIRNDYRGIW-MRXNPFEDSA-N 2 2 284.407 2.364 50 0 CEAALP CN(Cc1[nH]cc[nH+]1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000173975985 367967334 /nfs/dbraw/zinc/96/73/34/367967334.db2.gz DPCWYIRNDYRGIW-MRXNPFEDSA-N 2 2 284.407 2.364 50 0 CEAALP Oc1cccc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2)c1 ZINC000188418293 369352679 /nfs/dbraw/zinc/35/26/79/369352679.db2.gz VUKHUFGYAYUODN-AWEZNQCLSA-N 2 2 257.337 2.253 50 0 CEAALP Oc1cccc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2)c1 ZINC000188418293 369352687 /nfs/dbraw/zinc/35/26/87/369352687.db2.gz VUKHUFGYAYUODN-AWEZNQCLSA-N 2 2 257.337 2.253 50 0 CEAALP C=Cn1cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cn1 ZINC000194079079 370003781 /nfs/dbraw/zinc/00/37/81/370003781.db2.gz IQCFUGMDAVJJOT-WBVHZDCISA-N 2 2 286.423 2.432 50 0 CEAALP C=Cn1cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cn1 ZINC000194079079 370003788 /nfs/dbraw/zinc/00/37/88/370003788.db2.gz IQCFUGMDAVJJOT-WBVHZDCISA-N 2 2 286.423 2.432 50 0 CEAALP C=Cn1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cn1 ZINC000194079079 370003798 /nfs/dbraw/zinc/00/37/98/370003798.db2.gz IQCFUGMDAVJJOT-WBVHZDCISA-N 2 2 286.423 2.432 50 0 CEAALP C=Cn1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cn1 ZINC000194079079 370003806 /nfs/dbraw/zinc/00/38/06/370003806.db2.gz IQCFUGMDAVJJOT-WBVHZDCISA-N 2 2 286.423 2.432 50 0 CEAALP COc1ccc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)cn1 ZINC000215257393 370174523 /nfs/dbraw/zinc/17/45/23/370174523.db2.gz KZXCRTONPQWZHT-AWEZNQCLSA-N 2 2 263.385 2.006 50 0 CEAALP COc1ccc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)cn1 ZINC000215257393 370174526 /nfs/dbraw/zinc/17/45/26/370174526.db2.gz KZXCRTONPQWZHT-AWEZNQCLSA-N 2 2 263.385 2.006 50 0 CEAALP C[C@H]1C[N@H+](Cc2cc(Cl)c3c(c2)OCCO3)CC[C@H]1[NH3+] ZINC000251637060 371409866 /nfs/dbraw/zinc/40/98/66/371409866.db2.gz FSBFZSQNIYJGFS-GXFFZTMASA-N 2 2 296.798 2.280 50 0 CEAALP C[C@H]1C[N@@H+](Cc2cc(Cl)c3c(c2)OCCO3)CC[C@H]1[NH3+] ZINC000251637060 371409872 /nfs/dbraw/zinc/40/98/72/371409872.db2.gz FSBFZSQNIYJGFS-GXFFZTMASA-N 2 2 296.798 2.280 50 0 CEAALP CNc1cc[nH+]c(NCc2[nH+]ccn2Cc2ccccc2)n1 ZINC000065529765 394575612 /nfs/dbraw/zinc/57/56/12/394575612.db2.gz DPTQTWUDNDDREH-UHFFFAOYSA-N 2 2 294.362 2.375 50 0 CEAALP C[NH+](C)CC[NH2+]CCCCOc1ccc2c(c1)CCC2 ZINC000020418733 171183714 /nfs/dbraw/zinc/18/37/14/171183714.db2.gz POUPMWYXYFFOLA-UHFFFAOYSA-N 2 2 276.424 2.486 50 0 CEAALP Cc1cc(N[C@@H]2C[C@H]([NH+]3CCOCC3)C2(C)C)nc(C)[nH+]1 ZINC000657208769 414803071 /nfs/dbraw/zinc/80/30/71/414803071.db2.gz ZZVMBDZBERLQKQ-KGLIPLIRSA-N 2 2 290.411 2.005 50 0 CEAALP C[N@H+](CCCC1CCCC1)Cc1cc2n(n1)CC[NH2+]C2 ZINC000072134461 176322423 /nfs/dbraw/zinc/32/24/23/176322423.db2.gz KCLCMJPRXIKSHT-UHFFFAOYSA-N 2 2 276.428 2.389 50 0 CEAALP C[N@@H+](CCCC1CCCC1)Cc1cc2n(n1)CC[NH2+]C2 ZINC000072134461 176322425 /nfs/dbraw/zinc/32/24/25/176322425.db2.gz KCLCMJPRXIKSHT-UHFFFAOYSA-N 2 2 276.428 2.389 50 0 CEAALP CCN1CC[NH+](C[C@@H](C)CNc2cc[nH+]cc2Cl)CC1 ZINC000195575049 276195949 /nfs/dbraw/zinc/19/59/49/276195949.db2.gz WIWVVFQTKAJKNE-ZDUSSCGKSA-N 2 2 296.846 2.421 50 0 CEAALP CC[NH+]1CCN(C[C@@H](C)CNc2cc[nH+]cc2Cl)CC1 ZINC000195575049 276195950 /nfs/dbraw/zinc/19/59/50/276195950.db2.gz WIWVVFQTKAJKNE-ZDUSSCGKSA-N 2 2 296.846 2.421 50 0 CEAALP Cn1cc[nH+]c1CC[C@H]1CCCC[N@@H+]1C[C@H]1CCCO1 ZINC000825641664 810721660 /nfs/dbraw/zinc/72/16/60/810721660.db2.gz LIVVTLMTTRTOQR-HUUCEWRRSA-N 2 2 277.412 2.386 50 0 CEAALP Cn1cc[nH+]c1CC[C@H]1CCCC[N@H+]1C[C@H]1CCCO1 ZINC000825641664 810721668 /nfs/dbraw/zinc/72/16/68/810721668.db2.gz LIVVTLMTTRTOQR-HUUCEWRRSA-N 2 2 277.412 2.386 50 0 CEAALP [NH3+]C1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1 ZINC000036754112 361854270 /nfs/dbraw/zinc/85/42/70/361854270.db2.gz AOWMISIZPXLQGG-UHFFFAOYSA-N 2 2 257.337 2.265 50 0 CEAALP COc1ncccc1C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000037650478 361918559 /nfs/dbraw/zinc/91/85/59/361918559.db2.gz NXJCJLQFYVMJOW-UHFFFAOYSA-N 2 2 263.385 2.053 50 0 CEAALP CC[N@H+](CCCNC(=O)[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000040833100 362004217 /nfs/dbraw/zinc/00/42/17/362004217.db2.gz MMNFYQZJXVRCKR-OAHLLOKOSA-N 2 2 289.423 2.019 50 0 CEAALP CC[N@@H+](CCCNC(=O)[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000040833100 362004219 /nfs/dbraw/zinc/00/42/19/362004219.db2.gz MMNFYQZJXVRCKR-OAHLLOKOSA-N 2 2 289.423 2.019 50 0 CEAALP Fc1ccc(-c2n[nH]cc2C[NH2+]CCn2cc[nH+]c2)cc1 ZINC000053945882 362502147 /nfs/dbraw/zinc/50/21/47/362502147.db2.gz NYNIWCYOVYDLCO-UHFFFAOYSA-N 2 2 285.326 2.202 50 0 CEAALP COc1cccc(OC)c1C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000065370085 362810622 /nfs/dbraw/zinc/81/06/22/362810622.db2.gz VBGZEOBXFHKWJM-CQSZACIVSA-N 2 2 292.423 2.477 50 0 CEAALP COc1cccc(OC)c1C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000065370085 362810627 /nfs/dbraw/zinc/81/06/27/362810627.db2.gz VBGZEOBXFHKWJM-CQSZACIVSA-N 2 2 292.423 2.477 50 0 CEAALP COc1cccc(OC)c1C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000065370085 362810631 /nfs/dbraw/zinc/81/06/31/362810631.db2.gz VBGZEOBXFHKWJM-CQSZACIVSA-N 2 2 292.423 2.477 50 0 CEAALP COc1cccc(OC)c1C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000065370085 362810636 /nfs/dbraw/zinc/81/06/36/362810636.db2.gz VBGZEOBXFHKWJM-CQSZACIVSA-N 2 2 292.423 2.477 50 0 CEAALP CNc1cc[nH+]c(N[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000065469275 362825489 /nfs/dbraw/zinc/82/54/89/362825489.db2.gz UPYMEHSEZKWHSQ-CQSZACIVSA-N 2 2 283.379 2.205 50 0 CEAALP CNc1cc[nH+]c(N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000065469275 362825495 /nfs/dbraw/zinc/82/54/95/362825495.db2.gz UPYMEHSEZKWHSQ-CQSZACIVSA-N 2 2 283.379 2.205 50 0 CEAALP O[C@H](C[NH+]1CCC([NH+]2CCCC2)CC1)c1ccccc1F ZINC000065515855 362830794 /nfs/dbraw/zinc/83/07/94/362830794.db2.gz KQWUNKOBGXVSQM-QGZVFWFLSA-N 2 2 292.398 2.419 50 0 CEAALP CCc1csc(C[NH2+][C@H](C)Cn2cc[nH+]c2)n1 ZINC000067820061 362927101 /nfs/dbraw/zinc/92/71/01/362927101.db2.gz IAJGERBNXUGGRL-SNVBAGLBSA-N 2 2 250.371 2.080 50 0 CEAALP CCn1cc[nH+]c1CN1CC[NH+](CCc2ccccc2)CC1 ZINC000069326784 362959941 /nfs/dbraw/zinc/95/99/41/362959941.db2.gz RQFLQXLOLDFCLW-UHFFFAOYSA-N 2 2 298.434 2.263 50 0 CEAALP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCc1cccc2cccnc21 ZINC000108101867 186204387 /nfs/dbraw/zinc/20/43/87/186204387.db2.gz SSOQXIHJPYJZQL-CZUORRHYSA-N 2 2 269.392 2.317 50 0 CEAALP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCc1cccc2cccnc21 ZINC000108101867 186204389 /nfs/dbraw/zinc/20/43/89/186204389.db2.gz SSOQXIHJPYJZQL-CZUORRHYSA-N 2 2 269.392 2.317 50 0 CEAALP Cc1nnc([C@@H](C)[NH+]2CCC(C[NH+]3CCCC3)CC2)o1 ZINC000069703235 362993424 /nfs/dbraw/zinc/99/34/24/362993424.db2.gz ZJQBTWQZOFDOBV-GFCCVEGCSA-N 2 2 278.400 2.247 50 0 CEAALP [NH3+][C@H]1CCCN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000157770325 188337715 /nfs/dbraw/zinc/33/77/15/188337715.db2.gz ITHKKJXXMGNDNF-AWEZNQCLSA-N 2 2 297.358 2.437 50 0 CEAALP COc1ccccc1C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000079060531 363572134 /nfs/dbraw/zinc/57/21/34/363572134.db2.gz BKPAIXZCXPMQFC-TZMCWYRMSA-N 2 2 260.381 2.410 50 0 CEAALP COc1ccccc1C[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000079060531 363572138 /nfs/dbraw/zinc/57/21/38/363572138.db2.gz BKPAIXZCXPMQFC-TZMCWYRMSA-N 2 2 260.381 2.410 50 0 CEAALP CC(C)[N@@H+]1CC[C@H](C[NH+](C)CC(=O)NC2CCCCC2)C1 ZINC000670448128 540413891 /nfs/dbraw/zinc/41/38/91/540413891.db2.gz XUVAMAOUAQADCE-OAHLLOKOSA-N 2 2 295.471 2.097 50 0 CEAALP CC(C)[N@H+]1CC[C@H](C[NH+](C)CC(=O)NC2CCCCC2)C1 ZINC000670448128 540413896 /nfs/dbraw/zinc/41/38/96/540413896.db2.gz XUVAMAOUAQADCE-OAHLLOKOSA-N 2 2 295.471 2.097 50 0 CEAALP CC(C)[NH+]1CC[C@H](C[N@H+](C)CC(=O)NC2CCCCC2)C1 ZINC000670448128 540413900 /nfs/dbraw/zinc/41/39/00/540413900.db2.gz XUVAMAOUAQADCE-OAHLLOKOSA-N 2 2 295.471 2.097 50 0 CEAALP CC(C)[NH+]1CC[C@H](C[N@@H+](C)CC(=O)NC2CCCCC2)C1 ZINC000670448128 540413904 /nfs/dbraw/zinc/41/39/04/540413904.db2.gz XUVAMAOUAQADCE-OAHLLOKOSA-N 2 2 295.471 2.097 50 0 CEAALP COc1cc(Cn2cc[nH+]c2)c(OC)cc1Cn1cc[nH+]c1 ZINC000000034262 361118831 /nfs/dbraw/zinc/11/88/31/361118831.db2.gz MPVAGFFEYNOQJU-UHFFFAOYSA-N 2 2 298.346 2.193 50 0 CEAALP Cc1cc(OC(C[NH+](C)C)C[NH+](C)C)nc2ccccc12 ZINC000000531163 361184646 /nfs/dbraw/zinc/18/46/46/361184646.db2.gz ZDMMWAXFAJFGOL-UHFFFAOYSA-N 2 2 287.407 2.414 50 0 CEAALP OC[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000003683578 361288024 /nfs/dbraw/zinc/28/80/24/361288024.db2.gz XSWPYIXKJZYSFI-KRWDZBQOSA-N 2 2 288.435 2.355 50 0 CEAALP OC[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000003683578 361288027 /nfs/dbraw/zinc/28/80/27/361288027.db2.gz XSWPYIXKJZYSFI-KRWDZBQOSA-N 2 2 288.435 2.355 50 0 CEAALP c1cc2ccc(C[NH+]3CCC([NH+]4CCOCC4)CC3)cc2[nH]1 ZINC000019939125 361568946 /nfs/dbraw/zinc/56/89/46/361568946.db2.gz DEXBWVNFZSPUIX-UHFFFAOYSA-N 2 2 299.418 2.465 50 0 CEAALP COc1ccc(C[C@H](C)[NH2+]CCc2c[nH]c[nH+]2)cc1 ZINC000023283063 361598032 /nfs/dbraw/zinc/59/80/32/361598032.db2.gz GWRJMMSMNYHHHG-LBPRGKRZSA-N 2 2 259.353 2.182 50 0 CEAALP COc1ccc(C[C@H](C)[NH2+]CCc2c[nH+]c[nH]2)cc1 ZINC000023283063 361598038 /nfs/dbraw/zinc/59/80/38/361598038.db2.gz GWRJMMSMNYHHHG-LBPRGKRZSA-N 2 2 259.353 2.182 50 0 CEAALP CCc1c[nH+]c(N)nc1N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000095354080 364343685 /nfs/dbraw/zinc/34/36/85/364343685.db2.gz CAKHKJDHQHRPBO-HNNXBMFYSA-N 2 2 297.406 2.308 50 0 CEAALP CCc1c[nH+]c(N)nc1N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000095354080 364343692 /nfs/dbraw/zinc/34/36/92/364343692.db2.gz CAKHKJDHQHRPBO-HNNXBMFYSA-N 2 2 297.406 2.308 50 0 CEAALP Cc1cccc(NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)[nH+]1 ZINC000097163401 364469146 /nfs/dbraw/zinc/46/91/46/364469146.db2.gz XQHZKRJLUKREJY-DLBZAZTESA-N 2 2 297.402 2.437 50 0 CEAALP Cc1cccc(NC[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)[nH+]1 ZINC000097163401 364469150 /nfs/dbraw/zinc/46/91/50/364469150.db2.gz XQHZKRJLUKREJY-DLBZAZTESA-N 2 2 297.402 2.437 50 0 CEAALP Cc1nnc(C[N@H+]2CCCC[C@@H]2CCn2cc[nH+]c2C)o1 ZINC000244659644 370793992 /nfs/dbraw/zinc/79/39/92/370793992.db2.gz HGIFOAYTIAONIY-CQSZACIVSA-N 2 2 289.383 2.328 50 0 CEAALP CCO[C@@H]1C[C@@H]([NH2+]CCc2cc[nH+]cc2C)[C@]12CCCO2 ZINC000585117834 367180108 /nfs/dbraw/zinc/18/01/08/367180108.db2.gz ZCBCMALNHAWNTA-BRWVUGGUSA-N 2 2 290.407 2.249 50 0 CEAALP Cc1cccc(C[N@@H+]2CCCO[C@@H](C[NH+]3CCCC3)C2)n1 ZINC000097743526 230387269 /nfs/dbraw/zinc/38/72/69/230387269.db2.gz ALLWXTHVEQSCHR-KRWDZBQOSA-N 2 2 289.423 2.077 50 0 CEAALP Cc1cccc(C[N@H+]2CCCO[C@@H](C[NH+]3CCCC3)C2)n1 ZINC000097743526 230387270 /nfs/dbraw/zinc/38/72/70/230387270.db2.gz ALLWXTHVEQSCHR-KRWDZBQOSA-N 2 2 289.423 2.077 50 0 CEAALP CC[NH+]1CCC([N@@H+]2CCC[C@H](C[NH+]3CCCC3)C2)CC1 ZINC000032519474 361741501 /nfs/dbraw/zinc/74/15/01/361741501.db2.gz HPXFJKXNTJOCMD-MRXNPFEDSA-N 3 2 279.472 2.279 50 0 CEAALP CC[NH+]1CCC([N@H+]2CCC[C@H](C[NH+]3CCCC3)C2)CC1 ZINC000032519474 361741506 /nfs/dbraw/zinc/74/15/06/361741506.db2.gz HPXFJKXNTJOCMD-MRXNPFEDSA-N 3 2 279.472 2.279 50 0 CEAALP Cc1csc(C[NH2+][C@@H]2[C@H]3CCC[NH2+][C@@H]3C2(C)C)n1 ZINC000685943288 539306599 /nfs/dbraw/zinc/30/65/99/539306599.db2.gz KEVDQZJTDUFHHU-WCFLWFBJSA-N 2 2 265.426 2.318 50 0 CEAALP Cc1ccc(N2CCC([NH2+][C@H]3CC[N@@H+](C)C3)CC2)cc1 ZINC000584904060 345004766 /nfs/dbraw/zinc/00/47/66/345004766.db2.gz JEBMRZFNKDOTHL-INIZCTEOSA-N 2 2 273.424 2.258 50 0 CEAALP Cc1ccc(N2CCC([NH2+][C@H]3CC[N@H+](C)C3)CC2)cc1 ZINC000584904060 345004769 /nfs/dbraw/zinc/00/47/69/345004769.db2.gz JEBMRZFNKDOTHL-INIZCTEOSA-N 2 2 273.424 2.258 50 0 CEAALP Cc1c[nH+]c(NCCc2c[nH+]c3ccccn23)nc1N(C)C ZINC000065419516 362820210 /nfs/dbraw/zinc/82/02/10/362820210.db2.gz NBJKRERWVFWNHV-UHFFFAOYSA-N 2 2 296.378 2.153 50 0 CEAALP Clc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cn1 ZINC000067654208 362914737 /nfs/dbraw/zinc/91/47/37/362914737.db2.gz ZVXRGICBQNUHQV-AWEZNQCLSA-N 2 2 265.788 2.311 50 0 CEAALP Clc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cn1 ZINC000067654208 362914742 /nfs/dbraw/zinc/91/47/42/362914742.db2.gz ZVXRGICBQNUHQV-AWEZNQCLSA-N 2 2 265.788 2.311 50 0 CEAALP CCn1ncnc1[C@@H](C)[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000067833605 362927296 /nfs/dbraw/zinc/92/72/96/362927296.db2.gz SIZAMTUQPJFCIU-LLVKDONJSA-N 2 2 279.432 2.258 50 0 CEAALP CCCCc1c(C)[nH+]c(N)nc1NCc1[nH+]ccn1C ZINC000091518654 180177726 /nfs/dbraw/zinc/17/77/26/180177726.db2.gz NWLKOGDHTLOSBF-UHFFFAOYSA-N 2 2 274.372 2.055 50 0 CEAALP COc1cc(C[N@@H+]2C[C@H]([NH3+])[C@@H](C(C)C)C2)cc(OC)c1 ZINC000091691174 180227204 /nfs/dbraw/zinc/22/72/04/180227204.db2.gz NJPGTBNPIWCZTH-CVEARBPZSA-N 2 2 278.396 2.119 50 0 CEAALP COc1cc(C[N@H+]2C[C@H]([NH3+])[C@@H](C(C)C)C2)cc(OC)c1 ZINC000091691174 180227206 /nfs/dbraw/zinc/22/72/06/180227206.db2.gz NJPGTBNPIWCZTH-CVEARBPZSA-N 2 2 278.396 2.119 50 0 CEAALP Cc1nnc([C@H](C)[NH+]2CCC(C[NH+]3CCCC3)CC2)o1 ZINC000069703237 362993259 /nfs/dbraw/zinc/99/32/59/362993259.db2.gz ZJQBTWQZOFDOBV-LBPRGKRZSA-N 2 2 278.400 2.247 50 0 CEAALP C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)C(=O)Nc1ccccc1 ZINC000003427140 361279776 /nfs/dbraw/zinc/27/97/76/361279776.db2.gz WBWHJCGXBKKLQM-ZDUSSCGKSA-N 2 2 277.412 2.191 50 0 CEAALP Cc1cc(C)cc(NC(=[NH2+])NCCc2c[nH]c[nH+]2)c1 ZINC000012406724 361383881 /nfs/dbraw/zinc/38/38/81/361383881.db2.gz JYIQDPXBCQISKM-UHFFFAOYSA-N 2 2 257.341 2.206 50 0 CEAALP Cc1cc(C)cc(NC(=[NH2+])NCCc2c[nH+]c[nH]2)c1 ZINC000012406724 361383883 /nfs/dbraw/zinc/38/38/83/361383883.db2.gz JYIQDPXBCQISKM-UHFFFAOYSA-N 2 2 257.341 2.206 50 0 CEAALP C[C@@H]1C[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C[C@H](C)O1 ZINC000013513771 361428888 /nfs/dbraw/zinc/42/88/88/361428888.db2.gz AVZDUXAFQAAHDB-GASCZTMLSA-N 2 2 289.423 2.155 50 0 CEAALP C[C@@H]1C[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C[C@H](C)O1 ZINC000013513771 361428892 /nfs/dbraw/zinc/42/88/92/361428892.db2.gz AVZDUXAFQAAHDB-GASCZTMLSA-N 2 2 289.423 2.155 50 0 CEAALP OCC[NH2+]CCC[NH2+]Cc1ccc(Cl)cc1Cl ZINC000013732827 361439741 /nfs/dbraw/zinc/43/97/41/361439741.db2.gz NMULITFUKFWGAJ-UHFFFAOYSA-N 2 2 277.195 2.055 50 0 CEAALP C[C@@H]1C[NH+](C2CC[NH+](Cc3ccncc3)CC2)C[C@@H](C)O1 ZINC000019889910 361564058 /nfs/dbraw/zinc/56/40/58/361564058.db2.gz SSWACDZPHXMSIO-HUUCEWRRSA-N 2 2 289.423 2.155 50 0 CEAALP C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)C(=O)NC1CC1 ZINC000095401964 364359423 /nfs/dbraw/zinc/35/94/23/364359423.db2.gz KQQXONODNPGVMS-QWHCGFSZSA-N 2 2 298.390 2.190 50 0 CEAALP Cc1cc(N(CC[NH+](C)C)Cc2cccs2)nc[nH+]1 ZINC000095413859 364365291 /nfs/dbraw/zinc/36/52/91/364365291.db2.gz AIZWKQUCIKHVQM-UHFFFAOYSA-N 2 2 276.409 2.415 50 0 CEAALP CCC[NH+]1CCC([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000095420473 364368192 /nfs/dbraw/zinc/36/81/92/364368192.db2.gz QFFBGIKSYVYBRU-JKSUJKDBSA-N 3 2 265.445 2.077 50 0 CEAALP CCC[NH+]1CCC([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000095420473 364368195 /nfs/dbraw/zinc/36/81/95/364368195.db2.gz QFFBGIKSYVYBRU-JKSUJKDBSA-N 3 2 265.445 2.077 50 0 CEAALP C[C@H]1CC[N@H+](CCc2ccccn2)C[C@H]1n1cc[nH+]c1 ZINC000241301049 370782370 /nfs/dbraw/zinc/78/23/70/370782370.db2.gz LPYCHHMQTNINJR-GOEBONIOSA-N 2 2 270.380 2.404 50 0 CEAALP C[C@H]1CC[N@@H+](CCc2ccccn2)C[C@H]1n1cc[nH+]c1 ZINC000241301049 370782372 /nfs/dbraw/zinc/78/23/72/370782372.db2.gz LPYCHHMQTNINJR-GOEBONIOSA-N 2 2 270.380 2.404 50 0 CEAALP C[C@H](c1ccccc1)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000241588243 370784005 /nfs/dbraw/zinc/78/40/05/370784005.db2.gz PBEYPRWAQHVSEV-CYBMUJFWSA-N 2 2 256.353 2.293 50 0 CEAALP Cc1cccn2cc(CN3CCC[C@@]4(CC[NH2+]C4)C3)[nH+]c12 ZINC000244724596 370798550 /nfs/dbraw/zinc/79/85/50/370798550.db2.gz MXBKBVVJEXPDCC-KRWDZBQOSA-N 2 2 284.407 2.218 50 0 CEAALP Cc1c[nH+]c(-c2ccncc2)n1C[C@H]1CCC[NH2+]C1 ZINC000169676699 367370438 /nfs/dbraw/zinc/37/04/38/367370438.db2.gz ZVVXXPPOEIVBQL-ZDUSSCGKSA-N 2 2 256.353 2.253 50 0 CEAALP CC(C)(C[NH+]1CCCC1)C[NH+]1CCC(c2nc[nH]n2)CC1 ZINC000215072326 370173409 /nfs/dbraw/zinc/17/34/09/370173409.db2.gz WTCFZERKLCXYBA-UHFFFAOYSA-N 2 2 291.443 2.106 50 0 CEAALP COC[C@@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000215252529 370174536 /nfs/dbraw/zinc/17/45/36/370174536.db2.gz ZZVGVFUVFMUYTN-OAHLLOKOSA-N 2 2 271.364 2.341 50 0 CEAALP COC[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000215252529 370174538 /nfs/dbraw/zinc/17/45/38/370174538.db2.gz ZZVGVFUVFMUYTN-OAHLLOKOSA-N 2 2 271.364 2.341 50 0 CEAALP CCN(CC[NH+]1CCCCCC1)Cc1c[nH+]cn1C ZINC000216495941 370188894 /nfs/dbraw/zinc/18/88/94/370188894.db2.gz ZYFYRZWHIUWCGZ-UHFFFAOYSA-N 2 2 264.417 2.118 50 0 CEAALP COc1cccc(C[C@@H]([NH3+])C(=O)Nc2ccc(C)[nH+]c2C)c1 ZINC000638076592 370283238 /nfs/dbraw/zinc/28/32/38/370283238.db2.gz ZDWIFTBXOCDTDB-OAHLLOKOSA-N 2 2 299.374 2.216 50 0 CEAALP CC(C)[NH+]1CCC([NH2+]Cc2cccnc2N(C)C)CC1 ZINC000012387154 394463615 /nfs/dbraw/zinc/46/36/15/394463615.db2.gz RDLXFOCXSFWZRO-UHFFFAOYSA-N 2 2 276.428 2.110 50 0 CEAALP CCc1c[nH+]c(C)nc1N[C@H](CC)Cn1cc[nH+]c1 ZINC000065381772 394573590 /nfs/dbraw/zinc/57/35/90/394573590.db2.gz ZGASMYPZZKYLNH-CYBMUJFWSA-N 2 2 259.357 2.435 50 0 CEAALP CCn1nc(C)c(C[NH2+]C[C@H]2CCCn3cc[nH+]c32)c1C ZINC000089300186 394647549 /nfs/dbraw/zinc/64/75/49/394647549.db2.gz LUCUTKUNVWHMRU-CQSZACIVSA-N 2 2 287.411 2.384 50 0 CEAALP c1cn(C[C@H]2CCC[N@H+](Cc3cccnc3)C2)c[nH+]1 ZINC000072148567 176325504 /nfs/dbraw/zinc/32/55/04/176325504.db2.gz RHXMMHKTWQQMFU-HNNXBMFYSA-N 2 2 256.353 2.190 50 0 CEAALP c1cn(C[C@H]2CCC[N@@H+](Cc3cccnc3)C2)c[nH+]1 ZINC000072148567 176325505 /nfs/dbraw/zinc/32/55/05/176325505.db2.gz RHXMMHKTWQQMFU-HNNXBMFYSA-N 2 2 256.353 2.190 50 0 CEAALP Clc1ccc(CN2CC[NH+](C[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000077520600 177277763 /nfs/dbraw/zinc/27/77/63/177277763.db2.gz KATZAMBXUGLVNR-HNNXBMFYSA-N 2 2 293.842 2.067 50 0 CEAALP Clc1ccc(C[NH+]2CCN(C[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000077520600 177277764 /nfs/dbraw/zinc/27/77/64/177277764.db2.gz KATZAMBXUGLVNR-HNNXBMFYSA-N 2 2 293.842 2.067 50 0 CEAALP c1[nH]c2c([nH+]1)CC[N@@H+]([C@H]1CCc3ccccc3C1)C2 ZINC000097570845 275075858 /nfs/dbraw/zinc/07/58/58/275075858.db2.gz FCWGGPJPKYLYFA-AWEZNQCLSA-N 2 2 253.349 2.325 50 0 CEAALP c1[nH]c2c([nH+]1)CC[N@H+]([C@H]1CCc3ccccc3C1)C2 ZINC000097570845 275075860 /nfs/dbraw/zinc/07/58/60/275075860.db2.gz FCWGGPJPKYLYFA-AWEZNQCLSA-N 2 2 253.349 2.325 50 0 CEAALP CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1c(Cl)cccc1Cl ZINC000000071371 276152454 /nfs/dbraw/zinc/15/24/54/276152454.db2.gz OOGAEDMXJRVYCH-UHFFFAOYSA-N 2 2 286.166 2.179 50 0 CEAALP CCc1ccc(C[NH2+][C@@H](CC)Cn2cc[nH+]c2)nc1 ZINC000952968909 615674399 /nfs/dbraw/zinc/67/43/99/615674399.db2.gz GFRLSEHAEMWRIA-AWEZNQCLSA-N 2 2 258.369 2.409 50 0 CEAALP c1cc(OC2CC[NH+]([C@H]3CCCOC3)CC2)cc[nH+]1 ZINC000820408718 810551975 /nfs/dbraw/zinc/55/19/75/810551975.db2.gz FQYUYBQAXLTIDF-ZDUSSCGKSA-N 2 2 262.353 2.104 50 0 CEAALP Cc1cc(NC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)cc[nH+]1 ZINC000095981949 185054362 /nfs/dbraw/zinc/05/43/62/185054362.db2.gz VXNHVOZXOKJBSV-CYBMUJFWSA-N 2 2 276.384 2.196 50 0 CEAALP Cc1cc(NC(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)cc[nH+]1 ZINC000095981949 185054363 /nfs/dbraw/zinc/05/43/63/185054363.db2.gz VXNHVOZXOKJBSV-CYBMUJFWSA-N 2 2 276.384 2.196 50 0 CEAALP Cn1cccc1C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000097376991 344245257 /nfs/dbraw/zinc/24/52/57/344245257.db2.gz VJTRUDJAFJPRBG-AWEZNQCLSA-N 2 2 272.396 2.213 50 0 CEAALP Cn1cccc1C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000097376991 344245258 /nfs/dbraw/zinc/24/52/58/344245258.db2.gz VJTRUDJAFJPRBG-AWEZNQCLSA-N 2 2 272.396 2.213 50 0 CEAALP c1cn(-c2ccccc2C[NH2+][C@@H]2CCCOC2)c[nH+]1 ZINC000152255074 344424616 /nfs/dbraw/zinc/42/46/16/344424616.db2.gz GWHWQCJBWKVSEA-CQSZACIVSA-N 2 2 257.337 2.141 50 0 CEAALP C[NH+]1CCC([N@@H+](C/C=C\c2ccccc2)CCO)CC1 ZINC000357761468 530049543 /nfs/dbraw/zinc/04/95/43/530049543.db2.gz MMACERBWIDJAJG-YVMONPNESA-N 2 2 274.408 2.088 50 0 CEAALP C[NH+]1CCC([N@H+](C/C=C\c2ccccc2)CCO)CC1 ZINC000357761468 530049544 /nfs/dbraw/zinc/04/95/44/530049544.db2.gz MMACERBWIDJAJG-YVMONPNESA-N 2 2 274.408 2.088 50 0 CEAALP C[NH+]1CCC([N@@H+]2CC[C@H](Oc3ccccc3)C2)CC1 ZINC000584885391 344997573 /nfs/dbraw/zinc/99/75/73/344997573.db2.gz YTNZDARRBSXKIE-INIZCTEOSA-N 2 2 260.381 2.234 50 0 CEAALP C[NH+]1CCC([N@H+]2CC[C@H](Oc3ccccc3)C2)CC1 ZINC000584885391 344997575 /nfs/dbraw/zinc/99/75/75/344997575.db2.gz YTNZDARRBSXKIE-INIZCTEOSA-N 2 2 260.381 2.234 50 0 CEAALP Cc1ccccc1[C@@H](CNc1cc[nH+]c(C)n1)[NH+](C)C ZINC000584899206 345002688 /nfs/dbraw/zinc/00/26/88/345002688.db2.gz WDYRMMAPIDYYAK-OAHLLOKOSA-N 2 2 270.380 2.230 50 0 CEAALP CCN(CC[NH+]1CCCCCC1)Cc1[nH+]ccn1C ZINC000055576339 362552846 /nfs/dbraw/zinc/55/28/46/362552846.db2.gz DBYKHMPOOXQSMK-UHFFFAOYSA-N 2 2 264.417 2.118 50 0 CEAALP Cc1cccc([C@H](C[NH2+]C2CCOCC2)[NH+](C)C)c1 ZINC000065430645 362821765 /nfs/dbraw/zinc/82/17/65/362821765.db2.gz SNVPLTXIHWIINN-INIZCTEOSA-N 2 2 262.397 2.366 50 0 CEAALP Cc1c[nH+]ccc1NC(=O)N1CCC([NH+]2CC=CC2)CC1 ZINC000156927356 188289004 /nfs/dbraw/zinc/28/90/04/188289004.db2.gz UMAJBLNWYXGBMP-UHFFFAOYSA-N 2 2 286.379 2.258 50 0 CEAALP COc1ccccc1C[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000079060537 363572299 /nfs/dbraw/zinc/57/22/99/363572299.db2.gz BKPAIXZCXPMQFC-GXTWGEPZSA-N 2 2 260.381 2.410 50 0 CEAALP COc1ccccc1C[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000079060537 363572304 /nfs/dbraw/zinc/57/23/04/363572304.db2.gz BKPAIXZCXPMQFC-GXTWGEPZSA-N 2 2 260.381 2.410 50 0 CEAALP CCCc1nc(N(C)CCn2cc[nH+]c2)cc(C)[nH+]1 ZINC000670473137 540430031 /nfs/dbraw/zinc/43/00/31/540430031.db2.gz VZOFTPQCGKNQMZ-UHFFFAOYSA-N 2 2 259.357 2.070 50 0 CEAALP CCOc1c(C[NH2+]CCC[NH2+]C)cc(Cl)cc1OC ZINC000010435495 361350886 /nfs/dbraw/zinc/35/08/86/361350886.db2.gz STZOHGREHQBXRZ-UHFFFAOYSA-N 2 2 286.803 2.446 50 0 CEAALP Nc1cc(N2CCC[C@H](c3[nH+]ccn3CC3CC3)C2)nc[nH+]1 ZINC000095518042 364393580 /nfs/dbraw/zinc/39/35/80/364393580.db2.gz DQORXIKGHBYALN-ZDUSSCGKSA-N 2 2 298.394 2.049 50 0 CEAALP Nc1cc(N2CCC[C@H](c3[nH+]ccn3CC3CC3)C2)[nH+]cn1 ZINC000095518042 364393582 /nfs/dbraw/zinc/39/35/82/364393582.db2.gz DQORXIKGHBYALN-ZDUSSCGKSA-N 2 2 298.394 2.049 50 0 CEAALP CSCCC[NH+]1CCC(Cn2cc[nH+]c2)CC1 ZINC000097631949 364512592 /nfs/dbraw/zinc/51/25/92/364512592.db2.gz OOSCXJRWWMLGQT-UHFFFAOYSA-N 2 2 253.415 2.348 50 0 CEAALP Cc1[nH+]ccn1CC[N@@H+](C)Cc1cncn1C(C)C ZINC000097655582 364513948 /nfs/dbraw/zinc/51/39/48/364513948.db2.gz ADVKQNQGKUNOSK-UHFFFAOYSA-N 2 2 261.373 2.101 50 0 CEAALP Cc1[nH+]ccn1CC[N@H+](C)Cc1cncn1C(C)C ZINC000097655582 364513957 /nfs/dbraw/zinc/51/39/57/364513957.db2.gz ADVKQNQGKUNOSK-UHFFFAOYSA-N 2 2 261.373 2.101 50 0 CEAALP Cc1cc(-n2cccn2)ccc1C[N@@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC000097730146 364517329 /nfs/dbraw/zinc/51/73/29/364517329.db2.gz GDZPWMOHOHOWHU-RDJZCZTQSA-N 2 2 296.418 2.365 50 0 CEAALP Cc1cc(-n2cccn2)ccc1C[N@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC000097730146 364517335 /nfs/dbraw/zinc/51/73/35/364517335.db2.gz GDZPWMOHOHOWHU-RDJZCZTQSA-N 2 2 296.418 2.365 50 0 CEAALP CC[N@@H+]1CC[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[NH+]3C)[C@@H](C)C1 ZINC000245339326 370809153 /nfs/dbraw/zinc/80/91/53/370809153.db2.gz SARVBRDOJFVVRO-UCHQMPSGSA-N 3 2 279.472 2.322 50 0 CEAALP CC[N@H+]1CC[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[NH+]3C)[C@@H](C)C1 ZINC000245339326 370809155 /nfs/dbraw/zinc/80/91/55/370809155.db2.gz SARVBRDOJFVVRO-UCHQMPSGSA-N 3 2 279.472 2.322 50 0 CEAALP CC[NH+]1CC[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@@H](C)C1 ZINC000245339326 370809157 /nfs/dbraw/zinc/80/91/57/370809157.db2.gz SARVBRDOJFVVRO-UCHQMPSGSA-N 3 2 279.472 2.322 50 0 CEAALP CC[NH+]1CC[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[C@@H](C)C1 ZINC000245339326 370809159 /nfs/dbraw/zinc/80/91/59/370809159.db2.gz SARVBRDOJFVVRO-UCHQMPSGSA-N 3 2 279.472 2.322 50 0 CEAALP Cc1cccc(CCNc2cc(C3CC([NH3+])C3)[nH+]c(N)n2)c1 ZINC000219089304 370218782 /nfs/dbraw/zinc/21/87/82/370218782.db2.gz XONOEAOTCJIVMN-UHFFFAOYSA-N 2 2 297.406 2.227 50 0 CEAALP C[C@@H]1CCC[C@H](C)[N@H+]1CC(=O)NCc1c[nH+]cn1C1CC1 ZINC000426580629 377419814 /nfs/dbraw/zinc/41/98/14/377419814.db2.gz BQMOMDJMJRPHTI-BETUJISGSA-N 2 2 290.411 2.097 50 0 CEAALP C[C@@H]1CCC[C@H](C)[N@@H+]1CC(=O)NCc1c[nH+]cn1C1CC1 ZINC000426580629 377419823 /nfs/dbraw/zinc/41/98/23/377419823.db2.gz BQMOMDJMJRPHTI-BETUJISGSA-N 2 2 290.411 2.097 50 0 CEAALP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H](C)Cc1cnccn1 ZINC000453098594 378802836 /nfs/dbraw/zinc/80/28/36/378802836.db2.gz VGALDLWLKKSRAZ-CYBMUJFWSA-N 2 2 295.390 2.356 50 0 CEAALP C[C@@H]([NH2+]CCn1cc[nH+]c1)c1cccc(-n2cccn2)c1 ZINC000096491836 533406907 /nfs/dbraw/zinc/40/69/07/533406907.db2.gz PANWKBYIFJNJKH-CQSZACIVSA-N 2 2 281.363 2.420 50 0 CEAALP Fc1ccc(N2CC[C@@H]([N@@H+]3CCc4[nH+]c[nH]c4C3)C2)cc1 ZINC000097679916 394700512 /nfs/dbraw/zinc/70/05/12/394700512.db2.gz GHZPSVSLSKMBHL-CQSZACIVSA-N 2 2 286.354 2.186 50 0 CEAALP Fc1ccc(N2CC[C@@H]([N@H+]3CCc4[nH+]c[nH]c4C3)C2)cc1 ZINC000097679916 394700514 /nfs/dbraw/zinc/70/05/14/394700514.db2.gz GHZPSVSLSKMBHL-CQSZACIVSA-N 2 2 286.354 2.186 50 0 CEAALP [NH3+]C1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000020266669 171123559 /nfs/dbraw/zinc/12/35/59/171123559.db2.gz UKTPRKGILBRQJV-UHFFFAOYSA-N 2 2 269.186 2.372 50 0 CEAALP C[N@H+](Cc1ccsc1)Cc1cc2n(n1)CCC[NH2+]C2 ZINC000072158072 176329469 /nfs/dbraw/zinc/32/94/69/176329469.db2.gz FCNMRLULWCGRHP-UHFFFAOYSA-N 2 2 276.409 2.070 50 0 CEAALP C[N@@H+](Cc1ccsc1)Cc1cc2n(n1)CCC[NH2+]C2 ZINC000072158072 176329470 /nfs/dbraw/zinc/32/94/70/176329470.db2.gz FCNMRLULWCGRHP-UHFFFAOYSA-N 2 2 276.409 2.070 50 0 CEAALP CSCCC[N@@H+]1CCC[C@@H](Cn2cc[nH+]c2)C1 ZINC000072174636 176333762 /nfs/dbraw/zinc/33/37/62/176333762.db2.gz LYGVQMPJDSVBOM-CYBMUJFWSA-N 2 2 253.415 2.348 50 0 CEAALP CSCCC[N@H+]1CCC[C@@H](Cn2cc[nH+]c2)C1 ZINC000072174636 176333763 /nfs/dbraw/zinc/33/37/63/176333763.db2.gz LYGVQMPJDSVBOM-CYBMUJFWSA-N 2 2 253.415 2.348 50 0 CEAALP CC1(C)C[NH+]=C(N2CC[NH+](C[C@H]3CCCCO3)CC2)S1 ZINC000085821302 275852259 /nfs/dbraw/zinc/85/22/59/275852259.db2.gz QFWRFDDZZKWHOA-CYBMUJFWSA-N 2 2 297.468 2.055 50 0 CEAALP Cc1csc(C[NH2+][C@@H]2[C@H]3CCC[NH2+][C@H]3C2(C)C)n1 ZINC000685943285 539306617 /nfs/dbraw/zinc/30/66/17/539306617.db2.gz KEVDQZJTDUFHHU-CYZMBNFOSA-N 2 2 265.426 2.318 50 0 CEAALP CCc1cc(NCc2[nH]cc[nH+]2)nc(N2CCCCC2)[nH+]1 ZINC000065373278 362811879 /nfs/dbraw/zinc/81/18/79/362811879.db2.gz YFXMPDNCIZQKRW-UHFFFAOYSA-N 2 2 286.383 2.365 50 0 CEAALP CCc1nc(NCC2(Cn3cc[nH+]c3)CC2)cc(C)[nH+]1 ZINC000065387061 362815270 /nfs/dbraw/zinc/81/52/70/362815270.db2.gz XKGWWEOUCOYGKT-UHFFFAOYSA-N 2 2 271.368 2.436 50 0 CEAALP CC1(C)[NH2+]CC[C@@H]1[NH2+]CCCc1[nH]c2ccc(F)cc2[nH+]1 ZINC000067605924 362913411 /nfs/dbraw/zinc/91/34/11/362913411.db2.gz YVNLVNSTCWRJMS-AWEZNQCLSA-N 3 2 290.386 2.365 50 0 CEAALP Cc1c[nH+]ccc1-n1nc(CC2CC2)nc1Cn1cc[nH+]c1 ZINC000091474328 539807387 /nfs/dbraw/zinc/80/73/87/539807387.db2.gz CFZPQHQECRLNSI-UHFFFAOYSA-N 2 2 294.362 2.168 50 0 CEAALP Cc1cnn(CC[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000069879709 363009990 /nfs/dbraw/zinc/00/99/90/363009990.db2.gz NPIYQOFBDGLQKM-UHFFFAOYSA-N 2 2 281.363 2.167 50 0 CEAALP Nc1cc[nH+]c(N[C@@H]2CCC[N@H+](CCc3ccccc3)C2)n1 ZINC000072420143 363134700 /nfs/dbraw/zinc/13/47/00/363134700.db2.gz VSEALYZHHYQYIG-OAHLLOKOSA-N 2 2 297.406 2.178 50 0 CEAALP Nc1cc[nH+]c(N[C@@H]2CCC[N@@H+](CCc3ccccc3)C2)n1 ZINC000072420143 363134703 /nfs/dbraw/zinc/13/47/03/363134703.db2.gz VSEALYZHHYQYIG-OAHLLOKOSA-N 2 2 297.406 2.178 50 0 CEAALP c1c[nH+]c(CC[N@@H+]2CCO[C@H](c3ccccc3)C2)[nH]1 ZINC000670467198 540424898 /nfs/dbraw/zinc/42/48/98/540424898.db2.gz DLCRJRMTUGMIOM-AWEZNQCLSA-N 2 2 257.337 2.026 50 0 CEAALP c1c[nH+]c(CC[N@H+]2CCO[C@H](c3ccccc3)C2)[nH]1 ZINC000670467198 540424901 /nfs/dbraw/zinc/42/49/01/540424901.db2.gz DLCRJRMTUGMIOM-AWEZNQCLSA-N 2 2 257.337 2.026 50 0 CEAALP O[C@H](C[NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000238122944 370770680 /nfs/dbraw/zinc/77/06/80/370770680.db2.gz ANHGTVJDFKTROX-QGZVFWFLSA-N 2 2 297.402 2.374 50 0 CEAALP C[C@@H]([NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)C(=O)NC1CC1 ZINC000095401965 364359366 /nfs/dbraw/zinc/35/93/66/364359366.db2.gz KQQXONODNPGVMS-CHWSQXEVSA-N 2 2 298.390 2.190 50 0 CEAALP CN1CC[N@H+](C)C[C@H]1C[NH2+]CC1(C)CCCCCC1 ZINC000097054740 364436331 /nfs/dbraw/zinc/43/63/31/364436331.db2.gz DHPWJGPTLQTDLH-OAHLLOKOSA-N 2 2 267.461 2.182 50 0 CEAALP CN1CC[N@@H+](C)C[C@H]1C[NH2+]CC1(C)CCCCCC1 ZINC000097054740 364436339 /nfs/dbraw/zinc/43/63/39/364436339.db2.gz DHPWJGPTLQTDLH-OAHLLOKOSA-N 2 2 267.461 2.182 50 0 CEAALP CC(C)C(=O)N[C@H]1CCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000097103376 364451548 /nfs/dbraw/zinc/45/15/48/364451548.db2.gz LVNUZGTZUWZONR-INIZCTEOSA-N 2 2 295.471 2.099 50 0 CEAALP CC(C)C(=O)N[C@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000097103376 364451554 /nfs/dbraw/zinc/45/15/54/364451554.db2.gz LVNUZGTZUWZONR-INIZCTEOSA-N 2 2 295.471 2.099 50 0 CEAALP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2ccnc(N)c2)C1 ZINC000193338771 369928760 /nfs/dbraw/zinc/92/87/60/369928760.db2.gz HGZHQAADWWPYPS-CQSZACIVSA-N 2 2 285.395 2.260 50 0 CEAALP CCc1[nH+]ccn1CC[N@H+](C)Cc1nccs1 ZINC000252491545 371445795 /nfs/dbraw/zinc/44/57/95/371445795.db2.gz LNZFJEXVYNARAW-UHFFFAOYSA-N 2 2 250.371 2.034 50 0 CEAALP CCc1[nH+]ccn1CC[N@@H+](C)Cc1nccs1 ZINC000252491545 371445799 /nfs/dbraw/zinc/44/57/99/371445799.db2.gz LNZFJEXVYNARAW-UHFFFAOYSA-N 2 2 250.371 2.034 50 0 CEAALP CC(C)=CC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000096425914 394689454 /nfs/dbraw/zinc/68/94/54/394689454.db2.gz VKBBYBYOLLNOMX-UHFFFAOYSA-N 2 2 293.455 2.019 50 0 CEAALP CC(C)[C@@H]1CN(Cc2c[nH]c[nH+]2)CCC[N@@H+]1CC1CC1 ZINC000071750528 176259365 /nfs/dbraw/zinc/25/93/65/176259365.db2.gz WCTUDZKNMSXMQV-INIZCTEOSA-N 2 2 276.428 2.352 50 0 CEAALP CC(C)[C@@H]1CN(Cc2c[nH]c[nH+]2)CCC[N@H+]1CC1CC1 ZINC000071750528 176259366 /nfs/dbraw/zinc/25/93/66/176259366.db2.gz WCTUDZKNMSXMQV-INIZCTEOSA-N 2 2 276.428 2.352 50 0 CEAALP CC(C)[C@@H]1CN(Cc2c[nH+]c[nH]2)CCC[N@@H+]1CC1CC1 ZINC000071750528 176259367 /nfs/dbraw/zinc/25/93/67/176259367.db2.gz WCTUDZKNMSXMQV-INIZCTEOSA-N 2 2 276.428 2.352 50 0 CEAALP CC(C)[C@@H]1CN(Cc2c[nH+]c[nH]2)CCC[N@H+]1CC1CC1 ZINC000071750528 176259368 /nfs/dbraw/zinc/25/93/68/176259368.db2.gz WCTUDZKNMSXMQV-INIZCTEOSA-N 2 2 276.428 2.352 50 0 CEAALP CC[NH+](CC)CCCN[NH2+][C@@H](C)Cc1ccccc1 ZINC000071771319 176262511 /nfs/dbraw/zinc/26/25/11/176262511.db2.gz SGIXVAJQUKOWSS-HNNXBMFYSA-N 2 2 263.429 2.444 50 0 CEAALP CC[NH+](CC)C[C@H](O)C[NH2+]Cc1ccc(Cl)cc1 ZINC000007002693 276334188 /nfs/dbraw/zinc/33/41/88/276334188.db2.gz ZNYLDLDMVJFZIQ-CQSZACIVSA-N 2 2 270.804 2.132 50 0 CEAALP C=Cc1ccc(NCCCOC2CC[NH+](C)CC2)[nH+]c1 ZINC000534651024 328337141 /nfs/dbraw/zinc/33/71/41/328337141.db2.gz KKHOOOSIKYRBGD-UHFFFAOYSA-N 2 2 275.396 2.059 50 0 CEAALP CC1CC[NH+](C[C@H](O)C[N@@H+]2CCc3ccccc3C2)CC1 ZINC000065166854 624198375 /nfs/dbraw/zinc/19/83/75/624198375.db2.gz XVDSQSAGPYSTAW-SFHVURJKSA-N 2 2 288.435 2.138 50 0 CEAALP CC1CC[NH+](C[C@H](O)C[N@H+]2CCc3ccccc3C2)CC1 ZINC000065166854 624198376 /nfs/dbraw/zinc/19/83/76/624198376.db2.gz XVDSQSAGPYSTAW-SFHVURJKSA-N 2 2 288.435 2.138 50 0 CEAALP CCc1csc(CC[NH2+][C@@H](C)Cn2cc[nH+]c2)n1 ZINC000584888455 344998738 /nfs/dbraw/zinc/99/87/38/344998738.db2.gz DXONAHVUXFHGHZ-NSHDSACASA-N 2 2 264.398 2.123 50 0 CEAALP CCOc1c(C[NH2+]CCC[NH+](C)C)cccc1OC ZINC000058379016 362626748 /nfs/dbraw/zinc/62/67/48/362626748.db2.gz UTLIMOWAIJYZMA-UHFFFAOYSA-N 2 2 266.385 2.135 50 0 CEAALP Cc1[nH+]ccn1C[C@@H](C)[NH2+]Cc1nnc(-c2ccccc2)o1 ZINC000065385222 362813621 /nfs/dbraw/zinc/81/36/21/362813621.db2.gz GSTHUWQDCXZETJ-GFCCVEGCSA-N 2 2 297.362 2.420 50 0 CEAALP CC[N@@H+]1CCC[C@H](NCC2([NH+](C)C)CCCCC2)C1 ZINC000065530837 362831445 /nfs/dbraw/zinc/83/14/45/362831445.db2.gz WZJXXLGNDCGUET-HNNXBMFYSA-N 2 2 267.461 2.325 50 0 CEAALP CC[N@H+]1CCC[C@H](NCC2([NH+](C)C)CCCCC2)C1 ZINC000065530837 362831450 /nfs/dbraw/zinc/83/14/50/362831450.db2.gz WZJXXLGNDCGUET-HNNXBMFYSA-N 2 2 267.461 2.325 50 0 CEAALP Cc1cnn(CCC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000067675118 362917584 /nfs/dbraw/zinc/91/75/84/362917584.db2.gz YRIVWHVRPVUKDK-SFHVURJKSA-N 2 2 298.434 2.446 50 0 CEAALP Cc1cnn(CCC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000067675118 362917591 /nfs/dbraw/zinc/91/75/91/362917591.db2.gz YRIVWHVRPVUKDK-SFHVURJKSA-N 2 2 298.434 2.446 50 0 CEAALP COc1ccccc1OC1CC[NH+]([C@@H]2CCC[NH2+]C2)CC1 ZINC000067713580 362919263 /nfs/dbraw/zinc/91/92/63/362919263.db2.gz AILZTIXEJHXPRN-CQSZACIVSA-N 2 2 290.407 2.290 50 0 CEAALP COc1ccc(OC)c(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000067817802 362927081 /nfs/dbraw/zinc/92/70/81/362927081.db2.gz SHHPPQDIOLIPDE-QGZVFWFLSA-N 2 2 290.407 2.279 50 0 CEAALP COc1ccc(OC)c(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000067817802 362927086 /nfs/dbraw/zinc/92/70/86/362927086.db2.gz SHHPPQDIOLIPDE-QGZVFWFLSA-N 2 2 290.407 2.279 50 0 CEAALP C[C@@H]1C[NH+](C2CC[NH+](Cc3ccccn3)CC2)C[C@@H](C)O1 ZINC000019889055 361564774 /nfs/dbraw/zinc/56/47/74/361564774.db2.gz RFBDWXWUTHLRTG-HUUCEWRRSA-N 2 2 289.423 2.155 50 0 CEAALP Fc1ccc(-c2n[nH]cc2C[NH2+]CC[NH+]2CCCC2)cc1 ZINC000019722940 361548475 /nfs/dbraw/zinc/54/84/75/361548475.db2.gz BPTLZBAACZGLOT-UHFFFAOYSA-N 2 2 288.370 2.401 50 0 CEAALP c1ccc(N2CC[C@H](OCC[NH+]3CCCCC3)C2)[nH+]c1 ZINC000095437230 364377112 /nfs/dbraw/zinc/37/71/12/364377112.db2.gz OLAXDLYNKHZMRT-HNNXBMFYSA-N 2 2 275.396 2.163 50 0 CEAALP C[C@H](C[N@H+](CCO)C1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000097103896 364451715 /nfs/dbraw/zinc/45/17/15/364451715.db2.gz ZKRDOJUYKAMVOM-CQSZACIVSA-N 2 2 294.414 2.318 50 0 CEAALP C[C@H](C[N@@H+](CCO)C1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000097103896 364451717 /nfs/dbraw/zinc/45/17/17/364451717.db2.gz ZKRDOJUYKAMVOM-CQSZACIVSA-N 2 2 294.414 2.318 50 0 CEAALP C[C@@H](C[N@H+](CCO)C1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000097103895 364451846 /nfs/dbraw/zinc/45/18/46/364451846.db2.gz ZKRDOJUYKAMVOM-AWEZNQCLSA-N 2 2 294.414 2.318 50 0 CEAALP C[C@@H](C[N@@H+](CCO)C1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000097103895 364451853 /nfs/dbraw/zinc/45/18/53/364451853.db2.gz ZKRDOJUYKAMVOM-AWEZNQCLSA-N 2 2 294.414 2.318 50 0 CEAALP Cc1c[nH+]ccc1N1CC[NH+](Cc2cnn(C(C)C)c2)CC1 ZINC000097713659 364516293 /nfs/dbraw/zinc/51/62/93/364516293.db2.gz NZZQSJICAIVJBA-UHFFFAOYSA-N 2 2 299.422 2.490 50 0 CEAALP Cc1ccc(O)c(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)n1 ZINC000112716697 364834740 /nfs/dbraw/zinc/83/47/40/364834740.db2.gz MYDPMOGNOGEVNZ-UHFFFAOYSA-N 2 2 277.412 2.448 50 0 CEAALP CCCO[C@@H]1CCC[N@H+](CCn2cc[nH+]c2CC)C1 ZINC000243893254 370790422 /nfs/dbraw/zinc/79/04/22/370790422.db2.gz APTBLAFEGBNRNB-CQSZACIVSA-N 2 2 265.401 2.337 50 0 CEAALP CCCO[C@@H]1CCC[N@@H+](CCn2cc[nH+]c2CC)C1 ZINC000243893254 370790426 /nfs/dbraw/zinc/79/04/26/370790426.db2.gz APTBLAFEGBNRNB-CQSZACIVSA-N 2 2 265.401 2.337 50 0 CEAALP CC(C)C[N@@H+]1CCO[C@@H](CNc2cc[nH+]c(C(C)C)n2)C1 ZINC000171811833 367619567 /nfs/dbraw/zinc/61/95/67/367619567.db2.gz WUBPQQNHPKVUPC-AWEZNQCLSA-N 2 2 292.427 2.369 50 0 CEAALP CC(C)C[N@H+]1CCO[C@@H](CNc2cc[nH+]c(C(C)C)n2)C1 ZINC000171811833 367619574 /nfs/dbraw/zinc/61/95/74/367619574.db2.gz WUBPQQNHPKVUPC-AWEZNQCLSA-N 2 2 292.427 2.369 50 0 CEAALP C[C@@H]([NH2+]CC[C@H]1CCOC1=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000189906077 369578392 /nfs/dbraw/zinc/57/83/92/369578392.db2.gz GSARZVKHMGPQER-KGLIPLIRSA-N 2 2 299.374 2.476 50 0 CEAALP C[N@H+](Cc1cc2n(n1)CC[NH2+]C2)[C@H]1CCCc2ccccc21 ZINC000215264642 370175274 /nfs/dbraw/zinc/17/52/74/370175274.db2.gz LAYDTRXJNIMMDH-SFHVURJKSA-N 2 2 296.418 2.496 50 0 CEAALP C[N@@H+](Cc1cc2n(n1)CC[NH2+]C2)[C@H]1CCCc2ccccc21 ZINC000215264642 370175282 /nfs/dbraw/zinc/17/52/82/370175282.db2.gz LAYDTRXJNIMMDH-SFHVURJKSA-N 2 2 296.418 2.496 50 0 CEAALP CN(C)c1ccc(C[N@H+](C)CCC[NH+]2CCCC2)cn1 ZINC000215934142 370182622 /nfs/dbraw/zinc/18/26/22/370182622.db2.gz QSJDQLYYLWYWMC-UHFFFAOYSA-N 2 2 276.428 2.065 50 0 CEAALP CN(C)c1ccc(C[N@@H+](C)CCC[NH+]2CCCC2)cn1 ZINC000215934142 370182627 /nfs/dbraw/zinc/18/26/27/370182627.db2.gz QSJDQLYYLWYWMC-UHFFFAOYSA-N 2 2 276.428 2.065 50 0 CEAALP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000269240981 372393281 /nfs/dbraw/zinc/39/32/81/372393281.db2.gz COJJYUHYCIADMI-UKRRQHHQSA-N 2 2 298.390 2.072 50 0 CEAALP CC(C)NC(=O)C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000069571372 394584557 /nfs/dbraw/zinc/58/45/57/394584557.db2.gz MPULAUDGUQWCPW-MRXNPFEDSA-N 2 2 295.471 2.099 50 0 CEAALP CC(C)NC(=O)C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000069571372 394584562 /nfs/dbraw/zinc/58/45/62/394584562.db2.gz MPULAUDGUQWCPW-MRXNPFEDSA-N 2 2 295.471 2.099 50 0 CEAALP Cc1[nH+]c2ccccc2n1C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000071824977 176271662 /nfs/dbraw/zinc/27/16/62/176271662.db2.gz BCEJDSZHFOOSFW-HNNXBMFYSA-N 2 2 287.407 2.438 50 0 CEAALP CC(C)[NH+]1CCC([NH+]2CC(c3ccncc3)C2)CC1 ZINC000072156677 176328479 /nfs/dbraw/zinc/32/84/79/176328479.db2.gz WHIRFBWDXNGLPD-UHFFFAOYSA-N 2 2 259.397 2.354 50 0 CEAALP Cc1ccc(Cl)c(OCC[N@@H+]2CCO[C@H](CC[NH3+])C2)c1 ZINC000534583475 328312789 /nfs/dbraw/zinc/31/27/89/328312789.db2.gz CTCJEKBHNCMACA-CYBMUJFWSA-N 2 2 298.814 2.077 50 0 CEAALP Cc1ccc(Cl)c(OCC[N@H+]2CCO[C@H](CC[NH3+])C2)c1 ZINC000534583475 328312790 /nfs/dbraw/zinc/31/27/90/328312790.db2.gz CTCJEKBHNCMACA-CYBMUJFWSA-N 2 2 298.814 2.077 50 0 CEAALP CC[N@H+](C)C1(CN[C@@H](C)Cn2cc[nH+]c2C)CCCC1 ZINC000534636278 328333688 /nfs/dbraw/zinc/33/36/88/328333688.db2.gz GXNXDCBUBDGZRT-AWEZNQCLSA-N 2 2 278.444 2.434 50 0 CEAALP CC[N@@H+](C)C1(CN[C@@H](C)Cn2cc[nH+]c2C)CCCC1 ZINC000534636278 328333690 /nfs/dbraw/zinc/33/36/90/328333690.db2.gz GXNXDCBUBDGZRT-AWEZNQCLSA-N 2 2 278.444 2.434 50 0 CEAALP CS[C@H]1CCC[C@H]1[N@H+](C)CCCn1cc[nH+]c1 ZINC000096493083 230383318 /nfs/dbraw/zinc/38/33/18/230383318.db2.gz PISAEYPAHKZEIZ-OLZOCXBDSA-N 2 2 253.415 2.489 50 0 CEAALP CS[C@H]1CCC[C@H]1[N@@H+](C)CCCn1cc[nH+]c1 ZINC000096493083 230383319 /nfs/dbraw/zinc/38/33/19/230383319.db2.gz PISAEYPAHKZEIZ-OLZOCXBDSA-N 2 2 253.415 2.489 50 0 CEAALP Cn1cccc1C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000050595256 362423709 /nfs/dbraw/zinc/42/37/09/362423709.db2.gz ZYPWESLXNRLHIY-UHFFFAOYSA-N 2 2 270.380 2.179 50 0 CEAALP Clc1c[nH+]ccc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000084615026 539516308 /nfs/dbraw/zinc/51/63/08/539516308.db2.gz HKNIDAFYWPQBHP-LBPRGKRZSA-N 2 2 281.787 2.036 50 0 CEAALP Cc1[nH+]c(N2CCCC2)nc(NCCc2[nH]cc[nH+]2)c1C ZINC000065434595 362823334 /nfs/dbraw/zinc/82/33/34/362823334.db2.gz YJRMOCXHXBDCPE-UHFFFAOYSA-N 2 2 286.383 2.071 50 0 CEAALP c1cn(-c2ccc(CN3CC[C@H]4CC[C@@H](C3)[NH2+]4)cc2)c[nH+]1 ZINC000065530295 362831999 /nfs/dbraw/zinc/83/19/99/362831999.db2.gz VAKMHOSPXVVGKO-CVEARBPZSA-N 2 2 282.391 2.199 50 0 CEAALP CCC[C@H]1CN(c2cc(C(C)C)[nH+]c(C)n2)C[C@@H]1[NH3+] ZINC000091818841 180262982 /nfs/dbraw/zinc/26/29/82/180262982.db2.gz PUZCYFZKGPWILE-STQMWFEESA-N 2 2 262.401 2.472 50 0 CEAALP C[C@@H]1C[N@H+](CC2CCCC2)CCN1Cc1[nH+]ccn1C ZINC000069458023 362971271 /nfs/dbraw/zinc/97/12/71/362971271.db2.gz BYIQMWFBOAIRIK-CQSZACIVSA-N 2 2 276.428 2.116 50 0 CEAALP C[C@@H]1C[N@@H+](CC2CCCC2)CCN1Cc1[nH+]ccn1C ZINC000069458023 362971272 /nfs/dbraw/zinc/97/12/72/362971272.db2.gz BYIQMWFBOAIRIK-CQSZACIVSA-N 2 2 276.428 2.116 50 0 CEAALP Cc1[nH+]cn(CC[NH2+][C@@H](C)CCn2cc[nH+]c2C)c1C ZINC000670439905 540410631 /nfs/dbraw/zinc/41/06/31/540410631.db2.gz WDCJOJVEKCKBGA-LBPRGKRZSA-N 3 2 275.400 2.073 50 0 CEAALP c1[nH]c2ccccc2c1C[NH+]1CCC([NH+]2CCOCC2)CC1 ZINC000000199173 361143234 /nfs/dbraw/zinc/14/32/34/361143234.db2.gz REZWYMNYIIPSNH-UHFFFAOYSA-N 2 2 299.418 2.465 50 0 CEAALP [NH2+]=C1NC(Nc2ccc(F)c(F)c2)=[NH+]C2(CCCCC2)N1 ZINC000002482852 361235601 /nfs/dbraw/zinc/23/56/01/361235601.db2.gz WFLXLCXIPHFIRQ-UHFFFAOYSA-N 2 2 293.321 2.311 50 0 CEAALP C[NH2+]CCC[NH2+]Cc1ccccc1Br ZINC000083418804 363772460 /nfs/dbraw/zinc/77/24/60/363772460.db2.gz UDXHQBRCJWBZMN-UHFFFAOYSA-N 2 2 257.175 2.148 50 0 CEAALP Clc1cccc(N2CC[NH+](C3CC[NH2+]CC3)CC2)c1 ZINC000019779169 361552017 /nfs/dbraw/zinc/55/20/17/361552017.db2.gz KVHQGRLDFUYUIC-UHFFFAOYSA-N 2 2 279.815 2.214 50 0 CEAALP CCc1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)o1 ZINC000093017536 364130295 /nfs/dbraw/zinc/13/02/95/364130295.db2.gz CMEHQFFUAJBQNM-OAHLLOKOSA-N 2 2 292.423 2.386 50 0 CEAALP CCc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)o1 ZINC000093017536 364130300 /nfs/dbraw/zinc/13/03/00/364130300.db2.gz CMEHQFFUAJBQNM-OAHLLOKOSA-N 2 2 292.423 2.386 50 0 CEAALP CC(C)[C@@H](CO)[NH2+][C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000095969014 364394857 /nfs/dbraw/zinc/39/48/57/364394857.db2.gz MSJFQUBXIAZXIZ-BHYGNILZSA-N 2 2 276.424 2.428 50 0 CEAALP CC(C)[C@@H](CO)[NH2+][C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000095969014 364394858 /nfs/dbraw/zinc/39/48/58/364394858.db2.gz MSJFQUBXIAZXIZ-BHYGNILZSA-N 2 2 276.424 2.428 50 0 CEAALP C[C@@H](c1cccc(-c2cc(N)nc(N(C)C)[nH+]2)c1)[NH+](C)C ZINC000097570794 364509751 /nfs/dbraw/zinc/50/97/51/364509751.db2.gz CRXDBLXFZXTPOK-NSHDSACASA-N 2 2 285.395 2.414 50 0 CEAALP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2cnc[nH]2)cc1 ZINC000097468219 364505044 /nfs/dbraw/zinc/50/50/44/364505044.db2.gz SHEKZYSLWWBMRC-UHFFFAOYSA-N 2 2 258.369 2.103 50 0 CEAALP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2cnc[nH]2)cc1 ZINC000097468219 364505053 /nfs/dbraw/zinc/50/50/53/364505053.db2.gz SHEKZYSLWWBMRC-UHFFFAOYSA-N 2 2 258.369 2.103 50 0 CEAALP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2c[nH]cn2)cc1 ZINC000097468219 364505061 /nfs/dbraw/zinc/50/50/61/364505061.db2.gz SHEKZYSLWWBMRC-UHFFFAOYSA-N 2 2 258.369 2.103 50 0 CEAALP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2c[nH]cn2)cc1 ZINC000097468219 364505068 /nfs/dbraw/zinc/50/50/68/364505068.db2.gz SHEKZYSLWWBMRC-UHFFFAOYSA-N 2 2 258.369 2.103 50 0 CEAALP Cc1[nH+]c[nH]c1CN1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000243901863 370789889 /nfs/dbraw/zinc/78/98/89/370789889.db2.gz BEYOVSXHUGUOFQ-MRXNPFEDSA-N 2 2 270.380 2.207 50 0 CEAALP Cc1[nH+]c[nH]c1CN1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000243901863 370789896 /nfs/dbraw/zinc/78/98/96/370789896.db2.gz BEYOVSXHUGUOFQ-MRXNPFEDSA-N 2 2 270.380 2.207 50 0 CEAALP CCn1ccc(C[NH+]2CCC(Cn3cc[nH+]c3C)CC2)n1 ZINC000244678965 370794374 /nfs/dbraw/zinc/79/43/74/370794374.db2.gz INFKTGDABONDOP-UHFFFAOYSA-N 2 2 287.411 2.320 50 0 CEAALP C[C@@H]1C[C@H]([NH2+]Cc2ccncc2Br)CC[N@@H+]1C ZINC000585118317 367180443 /nfs/dbraw/zinc/18/04/43/367180443.db2.gz KFZYPQDUWSEILO-ZYHUDNBSSA-N 2 2 298.228 2.416 50 0 CEAALP C[C@@H]1C[C@H]([NH2+]Cc2ccncc2Br)CC[N@H+]1C ZINC000585118317 367180444 /nfs/dbraw/zinc/18/04/44/367180444.db2.gz KFZYPQDUWSEILO-ZYHUDNBSSA-N 2 2 298.228 2.416 50 0 CEAALP COCC[N@@H+]1CCC[C@H]([NH2+]C[C@@H]2CC=CCC2)C1 ZINC000221674213 370243178 /nfs/dbraw/zinc/24/31/78/370243178.db2.gz UOCYFILVIRYTMR-CABCVRRESA-N 2 2 252.402 2.043 50 0 CEAALP COCC[N@H+]1CCC[C@H]([NH2+]C[C@@H]2CC=CCC2)C1 ZINC000221674213 370243181 /nfs/dbraw/zinc/24/31/81/370243181.db2.gz UOCYFILVIRYTMR-CABCVRRESA-N 2 2 252.402 2.043 50 0 CEAALP Cc1noc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)n1 ZINC000331603952 204003696 /nfs/dbraw/zinc/00/36/96/204003696.db2.gz VPUMADJBIGFLNX-UHFFFAOYSA-N 2 2 289.383 2.267 50 0 CEAALP Cc1ccc(C[C@H]2C[NH2+]CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000309949574 376609247 /nfs/dbraw/zinc/60/92/47/376609247.db2.gz MGRIWPLAWBZNPB-KRWDZBQOSA-N 2 2 296.418 2.049 50 0 CEAALP Cc1ccc(C[C@H]2C[NH2+]CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000309949574 376609252 /nfs/dbraw/zinc/60/92/52/376609252.db2.gz MGRIWPLAWBZNPB-KRWDZBQOSA-N 2 2 296.418 2.049 50 0 CEAALP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCc1cccc2cccnc21 ZINC000095410386 394673580 /nfs/dbraw/zinc/67/35/80/394673580.db2.gz SSOQXIHJPYJZQL-CJNGLKHVSA-N 2 2 269.392 2.317 50 0 CEAALP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCc1cccc2cccnc21 ZINC000095410386 394673584 /nfs/dbraw/zinc/67/35/84/394673584.db2.gz SSOQXIHJPYJZQL-CJNGLKHVSA-N 2 2 269.392 2.317 50 0 CEAALP CC[NH+](CC)CCC[C@@H](C)Nc1[nH+]cnc2c1cnn2C ZINC000009531975 170380903 /nfs/dbraw/zinc/38/09/03/170380903.db2.gz UTKUBDMQVHQEMM-GFCCVEGCSA-N 2 2 290.415 2.286 50 0 CEAALP CC[N@@H+]1CCC[C@](O)(C[NH+](C)Cc2ccccc2F)C1 ZINC000040714633 174382504 /nfs/dbraw/zinc/38/25/04/174382504.db2.gz MMXSUKSMKNUJAL-INIZCTEOSA-N 2 2 280.387 2.104 50 0 CEAALP CC[N@H+]1CCC[C@](O)(C[NH+](C)Cc2ccccc2F)C1 ZINC000040714633 174382506 /nfs/dbraw/zinc/38/25/06/174382506.db2.gz MMXSUKSMKNUJAL-INIZCTEOSA-N 2 2 280.387 2.104 50 0 CEAALP CC[NH+]1CCC[C@](O)(C[N@H+](C)Cc2ccccc2F)C1 ZINC000040714633 174382507 /nfs/dbraw/zinc/38/25/07/174382507.db2.gz MMXSUKSMKNUJAL-INIZCTEOSA-N 2 2 280.387 2.104 50 0 CEAALP CC[NH+]1CCC[C@](O)(C[N@@H+](C)Cc2ccccc2F)C1 ZINC000040714633 174382508 /nfs/dbraw/zinc/38/25/08/174382508.db2.gz MMXSUKSMKNUJAL-INIZCTEOSA-N 2 2 280.387 2.104 50 0 CEAALP Cn1cc[nH+]c1CN1CC[NH+](CC2CCCCC2)CC1 ZINC000065591102 175752662 /nfs/dbraw/zinc/75/26/62/175752662.db2.gz QGMRUGCZDMSBFZ-UHFFFAOYSA-N 2 2 276.428 2.118 50 0 CEAALP c1c[nH+]c(CN2CCC[N@@H+](C3Cc4ccccc4C3)CC2)[nH]1 ZINC000077390763 177262460 /nfs/dbraw/zinc/26/24/60/177262460.db2.gz SLXNJFHNKBLGEV-UHFFFAOYSA-N 2 2 296.418 2.085 50 0 CEAALP c1c[nH+]c(CN2CCC[N@H+](C3Cc4ccccc4C3)CC2)[nH]1 ZINC000077390763 177262462 /nfs/dbraw/zinc/26/24/62/177262462.db2.gz SLXNJFHNKBLGEV-UHFFFAOYSA-N 2 2 296.418 2.085 50 0 CEAALP Cc1nc2ccccc2nc1C[N@@H+]1CCCC[C@@H]([NH3+])C1 ZINC000082096374 282081700 /nfs/dbraw/zinc/08/17/00/282081700.db2.gz PSMAOBWCXJUCNV-CYBMUJFWSA-N 2 2 270.380 2.251 50 0 CEAALP Cc1nc2ccccc2nc1C[N@H+]1CCCC[C@@H]([NH3+])C1 ZINC000082096374 282081702 /nfs/dbraw/zinc/08/17/02/282081702.db2.gz PSMAOBWCXJUCNV-CYBMUJFWSA-N 2 2 270.380 2.251 50 0 CEAALP Cc1cc(NC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)cc[nH+]1 ZINC000095981950 185054454 /nfs/dbraw/zinc/05/44/54/185054454.db2.gz VXNHVOZXOKJBSV-ZDUSSCGKSA-N 2 2 276.384 2.196 50 0 CEAALP Cc1cc(NC(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)cc[nH+]1 ZINC000095981950 185054455 /nfs/dbraw/zinc/05/44/55/185054455.db2.gz VXNHVOZXOKJBSV-ZDUSSCGKSA-N 2 2 276.384 2.196 50 0 CEAALP CCC[NH+]1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000047983004 362237332 /nfs/dbraw/zinc/23/73/32/362237332.db2.gz SRUMEUMXNVUETL-UHFFFAOYSA-N 2 2 262.401 2.440 50 0 CEAALP CC(C)N(CC[NH+]1CCCCCC1)Cc1c[nH]c[nH+]1 ZINC000063835603 343684740 /nfs/dbraw/zinc/68/47/40/343684740.db2.gz KRFYRBJOYAPRRO-UHFFFAOYSA-N 2 2 264.417 2.496 50 0 CEAALP CC(C)N(CC[NH+]1CCCCCC1)Cc1c[nH+]c[nH]1 ZINC000063835603 343684741 /nfs/dbraw/zinc/68/47/41/343684741.db2.gz KRFYRBJOYAPRRO-UHFFFAOYSA-N 2 2 264.417 2.496 50 0 CEAALP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1cccn1C)CCC2 ZINC000089702135 344128200 /nfs/dbraw/zinc/12/82/00/344128200.db2.gz BCPLYAHDIGFWOS-CYBMUJFWSA-N 2 2 258.369 2.197 50 0 CEAALP Cn1cc[nH+]c1CN1CCC[N@H+](Cc2cccs2)CC1 ZINC000058132662 362609102 /nfs/dbraw/zinc/60/91/02/362609102.db2.gz GCIFQTOBTASIDR-UHFFFAOYSA-N 2 2 290.436 2.190 50 0 CEAALP Cn1cc[nH+]c1CN1CCC[N@@H+](Cc2cccs2)CC1 ZINC000058132662 362609109 /nfs/dbraw/zinc/60/91/09/362609109.db2.gz GCIFQTOBTASIDR-UHFFFAOYSA-N 2 2 290.436 2.190 50 0 CEAALP Cc1nc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)nc2)cs1 ZINC000058246727 362616161 /nfs/dbraw/zinc/61/61/61/362616161.db2.gz BNAVZSJFNCTHAJ-UHFFFAOYSA-N 2 2 285.376 2.322 50 0 CEAALP CCn1cc[nH+]c1CN(C)c1nc(N(C)C)[nH+]c(C)c1C ZINC000065394142 362815871 /nfs/dbraw/zinc/81/58/71/362815871.db2.gz PNLRHESBDCUXNO-UHFFFAOYSA-N 2 2 288.399 2.012 50 0 CEAALP Cc1[nH+]c[nH]c1CN(C)CC[N@H+](C)C1CCCC1 ZINC000065459881 362824314 /nfs/dbraw/zinc/82/43/14/362824314.db2.gz FIDMZUIWFFTHFL-UHFFFAOYSA-N 2 2 250.390 2.024 50 0 CEAALP Cc1[nH+]c[nH]c1CN(C)CC[N@@H+](C)C1CCCC1 ZINC000065459881 362824319 /nfs/dbraw/zinc/82/43/19/362824319.db2.gz FIDMZUIWFFTHFL-UHFFFAOYSA-N 2 2 250.390 2.024 50 0 CEAALP Cc1cc(Cl)ccc1C[NH2+]C[C@@](C)(O)C[NH+](C)C ZINC000130334908 365945762 /nfs/dbraw/zinc/94/57/62/365945762.db2.gz RWAPHJJXANOGAT-CQSZACIVSA-N 2 2 270.804 2.051 50 0 CEAALP CCn1ncnc1[C@H](C)[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000067833606 362927362 /nfs/dbraw/zinc/92/73/62/362927362.db2.gz SIZAMTUQPJFCIU-NSHDSACASA-N 2 2 279.432 2.258 50 0 CEAALP C[C@H](C1CC[NH+](Cc2ncc[nH]2)CC1)[NH+]1CCCC1 ZINC000072440666 363135703 /nfs/dbraw/zinc/13/57/03/363135703.db2.gz MSQPVRGKKFSIGH-CYBMUJFWSA-N 2 2 262.401 2.106 50 0 CEAALP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccc(Br)cn1 ZINC000133627811 366242582 /nfs/dbraw/zinc/24/25/82/366242582.db2.gz WGTRQADCVLBIBB-VHSXEESVSA-N 2 2 284.201 2.013 50 0 CEAALP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(Br)cn1 ZINC000133627811 366242585 /nfs/dbraw/zinc/24/25/85/366242585.db2.gz WGTRQADCVLBIBB-VHSXEESVSA-N 2 2 284.201 2.013 50 0 CEAALP Cc1cc(CNC(=O)[C@H](C)C[NH+]2CCCC2)c[nH+]c1C ZINC000670441475 540411559 /nfs/dbraw/zinc/41/15/59/540411559.db2.gz KQQYUVKITDHWOY-CYBMUJFWSA-N 2 2 275.396 2.047 50 0 CEAALP CCOc1cc(C[NH2+]CCCn2cc[nH+]c2)ccc1OC ZINC000010314068 361349974 /nfs/dbraw/zinc/34/99/74/361349974.db2.gz KMKZYJAKHHBZTH-UHFFFAOYSA-N 2 2 289.379 2.470 50 0 CEAALP Cc1ccccc1C[NH+]1CCC([NH+]2CCOCC2)CC1 ZINC000019868480 361564880 /nfs/dbraw/zinc/56/48/80/361564880.db2.gz KXGMNHNWWDFSBZ-UHFFFAOYSA-N 2 2 274.408 2.292 50 0 CEAALP c1cn2c([nH+]1)[C@H](C[NH2+]Cc1cccc3c1OCO3)CCC2 ZINC000089774323 364000801 /nfs/dbraw/zinc/00/08/01/364000801.db2.gz IAJDMVYJOOAMAA-ZDUSSCGKSA-N 2 2 285.347 2.279 50 0 CEAALP C[NH+](C)CCn1cc[nH+]c1[C@@H]1CCCN(c2cc[nH+]cc2)C1 ZINC000095517190 364393572 /nfs/dbraw/zinc/39/35/72/364393572.db2.gz MOWMWSWAUZLTOT-OAHLLOKOSA-N 3 2 299.422 2.224 50 0 CEAALP Cc1ncccc1C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1 ZINC000097103956 364451598 /nfs/dbraw/zinc/45/15/98/364451598.db2.gz UBCJTNYOZPBKIM-HNNXBMFYSA-N 2 2 256.353 2.251 50 0 CEAALP Cc1ncccc1C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1 ZINC000097103956 364451603 /nfs/dbraw/zinc/45/16/03/364451603.db2.gz UBCJTNYOZPBKIM-HNNXBMFYSA-N 2 2 256.353 2.251 50 0 CEAALP Cc1cccc(NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)[nH+]1 ZINC000097163400 364469054 /nfs/dbraw/zinc/46/90/54/364469054.db2.gz XQHZKRJLUKREJY-SJORKVTESA-N 2 2 297.402 2.437 50 0 CEAALP Cc1cccc(NC[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)[nH+]1 ZINC000097163400 364469059 /nfs/dbraw/zinc/46/90/59/364469059.db2.gz XQHZKRJLUKREJY-SJORKVTESA-N 2 2 297.402 2.437 50 0 CEAALP c1cc(OCC[C@H]2CCOC3(CC[NH2+]CC3)C2)cc[nH+]1 ZINC000169676804 367369859 /nfs/dbraw/zinc/36/98/59/367369859.db2.gz AYXGJQJSMRTPAI-AWEZNQCLSA-N 2 2 276.380 2.399 50 0 CEAALP C[C@@H]([NH2+]C[C@@H](O)C(F)(F)F)c1cccc(-n2cc[nH+]c2)c1 ZINC000195577346 370143982 /nfs/dbraw/zinc/14/39/82/370143982.db2.gz KWTKFWNYZRWMIX-ZWNOBZJWSA-N 2 2 299.296 2.446 50 0 CEAALP CCc1nccc(C[N@H+](C)CC[C@H](C)[NH+]2CCCC2)n1 ZINC000219721840 370226347 /nfs/dbraw/zinc/22/63/47/370226347.db2.gz XINNOMMIEBJQEG-AWEZNQCLSA-N 2 2 276.428 2.345 50 0 CEAALP CCc1nccc(C[N@@H+](C)CC[C@H](C)[NH+]2CCCC2)n1 ZINC000219721840 370226352 /nfs/dbraw/zinc/22/63/52/370226352.db2.gz XINNOMMIEBJQEG-AWEZNQCLSA-N 2 2 276.428 2.345 50 0 CEAALP CC(C)COCC[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000252510510 371450513 /nfs/dbraw/zinc/45/05/13/371450513.db2.gz ZMJVHAVTEASSMI-CQSZACIVSA-N 2 2 265.401 2.272 50 0 CEAALP CC(C)COCC[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000252510510 371450520 /nfs/dbraw/zinc/45/05/20/371450520.db2.gz ZMJVHAVTEASSMI-CQSZACIVSA-N 2 2 265.401 2.272 50 0 CEAALP Cc1cc2ccccc2c(N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)[nH+]1 ZINC000252513177 371451797 /nfs/dbraw/zinc/45/17/97/371451797.db2.gz XVVPNCUHPAFWMZ-CABCVRRESA-N 2 2 299.418 2.435 50 0 CEAALP Cc1cc2ccccc2c(N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)[nH+]1 ZINC000252513177 371451803 /nfs/dbraw/zinc/45/18/03/371451803.db2.gz XVVPNCUHPAFWMZ-CABCVRRESA-N 2 2 299.418 2.435 50 0 CEAALP Fc1ccc(C[N@@H+]2CCCN(Cc3[nH]cc[nH+]3)CC2)cc1 ZINC000072126514 394591479 /nfs/dbraw/zinc/59/14/79/394591479.db2.gz WVGZBKKKUYMFHQ-UHFFFAOYSA-N 2 2 288.370 2.257 50 0 CEAALP Fc1ccc(C[N@H+]2CCCN(Cc3[nH]cc[nH+]3)CC2)cc1 ZINC000072126514 394591481 /nfs/dbraw/zinc/59/14/81/394591481.db2.gz WVGZBKKKUYMFHQ-UHFFFAOYSA-N 2 2 288.370 2.257 50 0 CEAALP CC[NH2+]CCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000047943700 400186468 /nfs/dbraw/zinc/18/64/68/400186468.db2.gz PYRUMTMCZPJQNR-UHFFFAOYSA-N 2 2 261.413 2.117 50 0 CEAALP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCc2ccccc2C1 ZINC000035275446 172095889 /nfs/dbraw/zinc/09/58/89/172095889.db2.gz AMLBEZXBEXIDOM-CZUORRHYSA-N 2 2 255.365 2.419 50 0 CEAALP C[C@H]1CCCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)[C@H]1C[NH3+] ZINC000156926958 526267076 /nfs/dbraw/zinc/26/70/76/526267076.db2.gz SOOZZLYONFEREC-BBRMVZONSA-N 2 2 298.390 2.072 50 0 CEAALP C[N@@H+]1C[C@@H]([NH2+]C[C@@H](CCO)c2ccccc2)CC1(C)C ZINC000888099181 628868149 /nfs/dbraw/zinc/86/81/49/628868149.db2.gz XAEIYARTOYZDGB-CVEARBPZSA-N 2 2 276.424 2.225 50 0 CEAALP C[N@H+]1C[C@@H]([NH2+]C[C@@H](CCO)c2ccccc2)CC1(C)C ZINC000888099181 628868154 /nfs/dbraw/zinc/86/81/54/628868154.db2.gz XAEIYARTOYZDGB-CVEARBPZSA-N 2 2 276.424 2.225 50 0 CEAALP Cc1nc(C[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)n(C)c1C ZINC000952965327 642591811 /nfs/dbraw/zinc/59/18/11/642591811.db2.gz CWWOONBLUQABCM-AWEZNQCLSA-N 2 2 289.427 2.438 50 0 CEAALP C[C@H](C[NH2+]Cc1ccccc1-n1cccn1)Cn1cc[nH+]c1 ZINC000075093201 343837113 /nfs/dbraw/zinc/83/71/13/343837113.db2.gz HNAHFMMNMOVJGK-OAHLLOKOSA-N 2 2 295.390 2.495 50 0 CEAALP Cc1ccc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2)nc1 ZINC000170603122 344485987 /nfs/dbraw/zinc/48/59/87/344485987.db2.gz BBPRJBFQORTKIZ-OAHLLOKOSA-N 2 2 256.353 2.251 50 0 CEAALP Cc1ccc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2)nc1 ZINC000170603122 344485989 /nfs/dbraw/zinc/48/59/89/344485989.db2.gz BBPRJBFQORTKIZ-OAHLLOKOSA-N 2 2 256.353 2.251 50 0 CEAALP C[NH2+]CCC[NH2+]Cc1nn(C(C)C)nc1-c1ccccc1 ZINC000057353480 362579023 /nfs/dbraw/zinc/57/90/23/362579023.db2.gz QTWMBCGRIXXYBR-UHFFFAOYSA-N 2 2 287.411 2.225 50 0 CEAALP Cc1[nH+]ccn1C[C@H](C)[NH2+]Cc1nnc(-c2ccccc2)o1 ZINC000065385223 362813779 /nfs/dbraw/zinc/81/37/79/362813779.db2.gz GSTHUWQDCXZETJ-LBPRGKRZSA-N 2 2 297.362 2.420 50 0 CEAALP CCCn1nc(C)c(C[NH2+][C@H]2CC[NH2+]C2(C)C)c1C ZINC000067740407 362921752 /nfs/dbraw/zinc/92/17/52/362921752.db2.gz PACXEUHCUADEPZ-AWEZNQCLSA-N 2 2 264.417 2.140 50 0 CEAALP CC(C)Oc1ccccc1CC[NH2+][C@H]1CCC[NH2+]C1 ZINC000067872896 362929836 /nfs/dbraw/zinc/92/98/36/362929836.db2.gz WZDIBWMEJADIDF-HNNXBMFYSA-N 2 2 262.397 2.358 50 0 CEAALP Cc1ccc(-c2ccnc(N3C[C@@H](C)[NH2+]C[C@@H]3C)n2)c(C)[nH+]1 ZINC000071774575 363113576 /nfs/dbraw/zinc/11/35/76/363113576.db2.gz LXLBTGXESGUKQU-OLZOCXBDSA-N 2 2 297.406 2.342 50 0 CEAALP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(Br)cn1 ZINC000133628017 366242318 /nfs/dbraw/zinc/24/23/18/366242318.db2.gz WGTRQADCVLBIBB-ZJUUUORDSA-N 2 2 284.201 2.013 50 0 CEAALP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(Br)cn1 ZINC000133628017 366242324 /nfs/dbraw/zinc/24/23/24/366242324.db2.gz WGTRQADCVLBIBB-ZJUUUORDSA-N 2 2 284.201 2.013 50 0 CEAALP c1cn(C2CC[NH+](Cc3cn4ccccc4n3)CC2)c[nH+]1 ZINC000078923007 363556732 /nfs/dbraw/zinc/55/67/32/363556732.db2.gz ILHNPPDCNLOCCE-UHFFFAOYSA-N 2 2 281.363 2.368 50 0 CEAALP C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)C(=O)Nc1ccccc1 ZINC000003427143 361279667 /nfs/dbraw/zinc/27/96/67/361279667.db2.gz WBWHJCGXBKKLQM-CYBMUJFWSA-N 2 2 277.412 2.191 50 0 CEAALP C[NH+]1CCC([N@@H+]2CC[C@]3(C2)CCC[NH+](CC2CC2)C3)CC1 ZINC000012703720 361396395 /nfs/dbraw/zinc/39/63/95/361396395.db2.gz LYIOJKAWXXCHMW-GOSISDBHSA-N 3 2 291.483 2.279 50 0 CEAALP C[NH+]1CCC([N@H+]2CC[C@]3(C2)CCC[NH+](CC2CC2)C3)CC1 ZINC000012703720 361396397 /nfs/dbraw/zinc/39/63/97/361396397.db2.gz LYIOJKAWXXCHMW-GOSISDBHSA-N 3 2 291.483 2.279 50 0 CEAALP C[NH+]1CCC([NH+]2CC[C@]3(C2)CCC[N@H+](CC2CC2)C3)CC1 ZINC000012703720 361396398 /nfs/dbraw/zinc/39/63/98/361396398.db2.gz LYIOJKAWXXCHMW-GOSISDBHSA-N 3 2 291.483 2.279 50 0 CEAALP C[NH+]1CCC([NH+]2CC[C@]3(C2)CCC[N@@H+](CC2CC2)C3)CC1 ZINC000012703720 361396399 /nfs/dbraw/zinc/39/63/99/361396399.db2.gz LYIOJKAWXXCHMW-GOSISDBHSA-N 3 2 291.483 2.279 50 0 CEAALP c1cn2c([nH+]1)[C@H](C[NH2+]C1CCSCC1)CCC2 ZINC000084613341 363815271 /nfs/dbraw/zinc/81/52/71/363815271.db2.gz HUBDNUSHVIEISN-NSHDSACASA-N 2 2 251.399 2.246 50 0 CEAALP CC(C)[NH+]1CCC([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000095420478 364368339 /nfs/dbraw/zinc/36/83/39/364368339.db2.gz OVKHQJWGMBCAQB-HZPDHXFCSA-N 3 2 265.445 2.076 50 0 CEAALP CC(C)[NH+]1CCC([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000095420478 364368342 /nfs/dbraw/zinc/36/83/42/364368342.db2.gz OVKHQJWGMBCAQB-HZPDHXFCSA-N 3 2 265.445 2.076 50 0 CEAALP c1cn(CC[N@@H+]2CCO[C@@H](CCc3ccccc3)C2)c[nH+]1 ZINC000097112754 364456725 /nfs/dbraw/zinc/45/67/25/364456725.db2.gz VTRKBNYPHVZOIZ-KRWDZBQOSA-N 2 2 285.391 2.217 50 0 CEAALP c1cn(CC[N@H+]2CCO[C@@H](CCc3ccccc3)C2)c[nH+]1 ZINC000097112754 364456728 /nfs/dbraw/zinc/45/67/28/364456728.db2.gz VTRKBNYPHVZOIZ-KRWDZBQOSA-N 2 2 285.391 2.217 50 0 CEAALP C[C@H]1C[C@H]([NH2+]Cc2ccncc2Br)CC[N@@H+]1C ZINC000585118314 367180862 /nfs/dbraw/zinc/18/08/62/367180862.db2.gz KFZYPQDUWSEILO-CMPLNLGQSA-N 2 2 298.228 2.416 50 0 CEAALP C[C@H]1C[C@H]([NH2+]Cc2ccncc2Br)CC[N@H+]1C ZINC000585118314 367180869 /nfs/dbraw/zinc/18/08/69/367180869.db2.gz KFZYPQDUWSEILO-CMPLNLGQSA-N 2 2 298.228 2.416 50 0 CEAALP [NH3+]C[C@H](NC(=O)c1cccc(Oc2cc[nH+]cc2)c1)C1CC1 ZINC000170677130 367396296 /nfs/dbraw/zinc/39/62/96/367396296.db2.gz HFDWLNYYYCONPL-INIZCTEOSA-N 2 2 297.358 2.341 50 0 CEAALP C[C@H]([NH2+]CC[C@H]1CCOC1=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000189906056 369578921 /nfs/dbraw/zinc/57/89/21/369578921.db2.gz GSARZVKHMGPQER-KBPBESRZSA-N 2 2 299.374 2.476 50 0 CEAALP COc1ccc(F)c(C[N@H+](C)CCn2cc[nH+]c2)c1 ZINC000215576376 370178557 /nfs/dbraw/zinc/17/85/57/370178557.db2.gz NFCSNVYXLFXMQD-UHFFFAOYSA-N 2 2 263.316 2.163 50 0 CEAALP COc1ccc(F)c(C[N@@H+](C)CCn2cc[nH+]c2)c1 ZINC000215576376 370178562 /nfs/dbraw/zinc/17/85/62/370178562.db2.gz NFCSNVYXLFXMQD-UHFFFAOYSA-N 2 2 263.316 2.163 50 0 CEAALP Cc1[nH+]ccn1CC[N@@H+](C)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000252503706 371448264 /nfs/dbraw/zinc/44/82/64/371448264.db2.gz VFWDCJJPVDWJHB-INIZCTEOSA-N 2 2 298.390 2.317 50 0 CEAALP Cc1[nH+]ccn1CC[N@H+](C)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000252503706 371448266 /nfs/dbraw/zinc/44/82/66/371448266.db2.gz VFWDCJJPVDWJHB-INIZCTEOSA-N 2 2 298.390 2.317 50 0 CEAALP Cc1[nH]c(CN2CCC([NH+]3CCSCC3)CC2)[nH+]c1C ZINC000299771718 379132026 /nfs/dbraw/zinc/13/20/26/379132026.db2.gz VVWIDWBSCXFZMO-UHFFFAOYSA-N 2 2 294.468 2.040 50 0 CEAALP CCc1[nH+]ccn1C[C@H](C)[NH2+]Cc1cscn1 ZINC000534636337 328333700 /nfs/dbraw/zinc/33/37/00/328333700.db2.gz IFQZPDDIXPVNEI-JTQLQIEISA-N 2 2 250.371 2.080 50 0 CEAALP C[C@@H]1C[C@@H]([NH2+]C[C@H](c2ccccc2)C(C)(C)CO)C[N@@H+]1C ZINC000110704308 344269722 /nfs/dbraw/zinc/26/97/22/344269722.db2.gz AKDBWVCJHLHGKH-DJIMGWMZSA-N 2 2 290.451 2.471 50 0 CEAALP C[C@@H]1C[C@@H]([NH2+]C[C@H](c2ccccc2)C(C)(C)CO)C[N@H+]1C ZINC000110704308 344269724 /nfs/dbraw/zinc/26/97/24/344269724.db2.gz AKDBWVCJHLHGKH-DJIMGWMZSA-N 2 2 290.451 2.471 50 0 CEAALP C[C@H]([NH2+]CCC1OCCO1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000125344392 344318827 /nfs/dbraw/zinc/31/88/27/344318827.db2.gz KWNLNMCFPQCOFV-ZDUSSCGKSA-N 2 2 287.363 2.286 50 0 CEAALP Cc1cccn2c(CNc3nc(N(C)C)c(C)c[nH+]3)c[nH+]c12 ZINC000065456018 362824178 /nfs/dbraw/zinc/82/41/78/362824178.db2.gz NDTXXFNEWMWPQX-UHFFFAOYSA-N 2 2 296.378 2.419 50 0 CEAALP CC1(C)[NH2+]CC[C@H]1[NH2+]CCCc1[nH]c2ccc(F)cc2[nH+]1 ZINC000067605922 362912925 /nfs/dbraw/zinc/91/29/25/362912925.db2.gz YVNLVNSTCWRJMS-CQSZACIVSA-N 3 2 290.386 2.365 50 0 CEAALP CCCn1cc[nH+]c1CN1C[C@@H](C(C)C)[C@H]([NH+](C)C)C1 ZINC000091829465 180266008 /nfs/dbraw/zinc/26/60/08/180266008.db2.gz BNKHPBDRVLLQKK-LSDHHAIUSA-N 2 2 278.444 2.311 50 0 CEAALP Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1C[N@@H+]3CCC[C@@H]3CO1)CC2 ZINC000095967713 540164783 /nfs/dbraw/zinc/16/47/83/540164783.db2.gz QCJLKNOLAYJCHV-JFIYKMOQSA-N 2 2 286.419 2.435 50 0 CEAALP Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1C[N@H+]3CCC[C@@H]3CO1)CC2 ZINC000095967713 540164786 /nfs/dbraw/zinc/16/47/86/540164786.db2.gz QCJLKNOLAYJCHV-JFIYKMOQSA-N 2 2 286.419 2.435 50 0 CEAALP COc1ccccc1C[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000079060523 363572219 /nfs/dbraw/zinc/57/22/19/363572219.db2.gz BKPAIXZCXPMQFC-OCCSQVGLSA-N 2 2 260.381 2.410 50 0 CEAALP COc1ccccc1C[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000079060523 363572224 /nfs/dbraw/zinc/57/22/24/363572224.db2.gz BKPAIXZCXPMQFC-OCCSQVGLSA-N 2 2 260.381 2.410 50 0 CEAALP c1cn(CC2CC[NH+](C[C@H]3CCCCO3)CC2)c[nH+]1 ZINC000670451079 540415880 /nfs/dbraw/zinc/41/58/80/540415880.db2.gz AJCULJVQPZEPMS-OAHLLOKOSA-N 2 2 263.385 2.164 50 0 CEAALP c1cn(CC2CC[NH+]([C@@H]3CCSC3)CC2)c[nH+]1 ZINC000670466135 540424287 /nfs/dbraw/zinc/42/42/87/540424287.db2.gz KLCCRFIRRBKZCF-CYBMUJFWSA-N 2 2 251.399 2.101 50 0 CEAALP C[C@@](O)(C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1)C(F)(F)F ZINC000241132830 370781725 /nfs/dbraw/zinc/78/17/25/370781725.db2.gz JLZUANGPJBZBJM-QWHCGFSZSA-N 2 2 294.361 2.250 50 0 CEAALP C[C@@](O)(C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1)C(F)(F)F ZINC000241132830 370781727 /nfs/dbraw/zinc/78/17/27/370781727.db2.gz JLZUANGPJBZBJM-QWHCGFSZSA-N 2 2 294.361 2.250 50 0 CEAALP C[C@@H]1CN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)CC[NH2+]1 ZINC000188453509 369358630 /nfs/dbraw/zinc/35/86/30/369358630.db2.gz CKXZJTDUFCEMIH-CYBMUJFWSA-N 2 2 297.358 2.308 50 0 CEAALP CC(C)(C)n1cc(C[NH+]2CCC(n3cc[nH+]c3)CC2)nn1 ZINC000191284900 369698373 /nfs/dbraw/zinc/69/83/73/369698373.db2.gz FOKWBQWKLWMFAR-UHFFFAOYSA-N 2 2 288.399 2.067 50 0 CEAALP C=Cn1cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cn1 ZINC000194079061 370003953 /nfs/dbraw/zinc/00/39/53/370003953.db2.gz IQCFUGMDAVJJOT-NVXWUHKLSA-N 2 2 286.423 2.432 50 0 CEAALP C=Cn1cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cn1 ZINC000194079061 370003959 /nfs/dbraw/zinc/00/39/59/370003959.db2.gz IQCFUGMDAVJJOT-NVXWUHKLSA-N 2 2 286.423 2.432 50 0 CEAALP C=Cn1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cn1 ZINC000194079061 370003968 /nfs/dbraw/zinc/00/39/68/370003968.db2.gz IQCFUGMDAVJJOT-NVXWUHKLSA-N 2 2 286.423 2.432 50 0 CEAALP C=Cn1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cn1 ZINC000194079061 370003970 /nfs/dbraw/zinc/00/39/70/370003970.db2.gz IQCFUGMDAVJJOT-NVXWUHKLSA-N 2 2 286.423 2.432 50 0 CEAALP CO[C@H]1C[NH2+]C[C@@H]1[NH2+]C1CC(C)(C)CC(C)(C)C1 ZINC000426711324 286077066 /nfs/dbraw/zinc/07/70/66/286077066.db2.gz MVKQSGWCRFRBDU-STQMWFEESA-N 2 2 254.418 2.168 50 0 CEAALP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCc2ccccc2C1 ZINC000035275444 172095364 /nfs/dbraw/zinc/09/53/64/172095364.db2.gz AMLBEZXBEXIDOM-XJKSGUPXSA-N 2 2 255.365 2.419 50 0 CEAALP CCOc1ccc(C[NH2+]CCCn2cc[nH+]c2)cc1OC ZINC000035360499 172151683 /nfs/dbraw/zinc/15/16/83/172151683.db2.gz KRADSPQDHVWJPZ-UHFFFAOYSA-N 2 2 289.379 2.470 50 0 CEAALP C[C@@H](C[NH2+]Cc1c[nH]nc1C(C)(C)C)Cn1cc[nH+]c1 ZINC000071837072 176274054 /nfs/dbraw/zinc/27/40/54/176274054.db2.gz PJYBRYPKNKONRM-LBPRGKRZSA-N 2 2 275.400 2.330 50 0 CEAALP Cc1c[nH+]ccc1NCCn1ccnc1-c1ccc[nH+]c1N ZINC000072126635 176320803 /nfs/dbraw/zinc/32/08/03/176320803.db2.gz KBIJPNPARDVMRL-UHFFFAOYSA-N 2 2 294.362 2.343 50 0 CEAALP C[C@H]([NH3+])[C@@H]1C[N@H+](CC(C)(C)c2ccccc2)CCO1 ZINC000097095738 278228660 /nfs/dbraw/zinc/22/86/60/278228660.db2.gz BLWQGQKGTXEYQR-ZFWWWQNUSA-N 2 2 262.397 2.012 50 0 CEAALP C[C@H]([NH3+])[C@@H]1C[N@@H+](CC(C)(C)c2ccccc2)CCO1 ZINC000097095738 278228661 /nfs/dbraw/zinc/22/86/61/278228661.db2.gz BLWQGQKGTXEYQR-ZFWWWQNUSA-N 2 2 262.397 2.012 50 0 CEAALP Cc1cccc(C[N@@H+]2CCCO[C@H](C[NH+]3CCCC3)C2)n1 ZINC000097743525 230387533 /nfs/dbraw/zinc/38/75/33/230387533.db2.gz ALLWXTHVEQSCHR-QGZVFWFLSA-N 2 2 289.423 2.077 50 0 CEAALP Cc1cccc(C[N@H+]2CCCO[C@H](C[NH+]3CCCC3)C2)n1 ZINC000097743525 230387534 /nfs/dbraw/zinc/38/75/34/230387534.db2.gz ALLWXTHVEQSCHR-QGZVFWFLSA-N 2 2 289.423 2.077 50 0 CEAALP CC[N@@H+]1CCC[C@H]1C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000037213764 361902022 /nfs/dbraw/zinc/90/20/22/361902022.db2.gz PSQBSXSTDFTLPV-INIZCTEOSA-N 3 2 288.439 2.124 50 0 CEAALP CC[N@H+]1CCC[C@H]1C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000037213764 361902025 /nfs/dbraw/zinc/90/20/25/361902025.db2.gz PSQBSXSTDFTLPV-INIZCTEOSA-N 3 2 288.439 2.124 50 0 CEAALP [NH3+]C[C@@H]1CC[N@H+](Cc2ccccc2OC(F)(F)F)C1 ZINC000050245308 362412181 /nfs/dbraw/zinc/41/21/81/362412181.db2.gz MANCHPRTWFFCOL-JTQLQIEISA-N 2 2 274.286 2.366 50 0 CEAALP [NH3+]C[C@@H]1CC[N@@H+](Cc2ccccc2OC(F)(F)F)C1 ZINC000050245308 362412186 /nfs/dbraw/zinc/41/21/86/362412186.db2.gz MANCHPRTWFFCOL-JTQLQIEISA-N 2 2 274.286 2.366 50 0 CEAALP OC1(C[NH+]2CCCC2)CC[NH+](Cc2ccc(Cl)o2)CC1 ZINC000584885809 344997285 /nfs/dbraw/zinc/99/72/85/344997285.db2.gz PRTNYUCKNHFTQQ-UHFFFAOYSA-N 2 2 298.814 2.356 50 0 CEAALP Cc1ccc2[nH]c(CC[NH2+][C@H]3CCCOC3)[nH+]c2c1C ZINC000584894753 345001430 /nfs/dbraw/zinc/00/14/30/345001430.db2.gz DFLBWSSNJQGMGJ-ZDUSSCGKSA-N 2 2 273.380 2.491 50 0 CEAALP Cc1ccc2[nH+]c(CC[NH2+][C@H]3CCCOC3)[nH]c2c1C ZINC000584894753 345001431 /nfs/dbraw/zinc/00/14/31/345001431.db2.gz DFLBWSSNJQGMGJ-ZDUSSCGKSA-N 2 2 273.380 2.491 50 0 CEAALP CN(CC[NH+]1CCCCCC1)c1[nH+]cnc2[nH]ccc21 ZINC000065403691 362819046 /nfs/dbraw/zinc/81/90/46/362819046.db2.gz UEMYIIAKQVWYOB-UHFFFAOYSA-N 2 2 273.384 2.270 50 0 CEAALP Cc1cc[nH+]c(C[C@@H](C)N(C)c2cc(C[NH3+])nc(C)n2)c1 ZINC000067804744 362925437 /nfs/dbraw/zinc/92/54/37/362925437.db2.gz GOFOSXWCCTZJCD-GFCCVEGCSA-N 2 2 285.395 2.015 50 0 CEAALP CC(C)C[NH+]1CCC([NH2+]Cc2[nH]nc3c2CCC3)CC1 ZINC000067803099 362925992 /nfs/dbraw/zinc/92/59/92/362925992.db2.gz ZVTCUEUSGOSYNP-UHFFFAOYSA-N 2 2 276.428 2.108 50 0 CEAALP CCCn1ncc(C[N@@H+]2C[C@H]([NH3+])[C@@H](C(C)C)C2)c1C ZINC000092077249 180317378 /nfs/dbraw/zinc/31/73/78/180317378.db2.gz XNPNYOCSBQWPSW-CABCVRRESA-N 2 2 264.417 2.017 50 0 CEAALP CCCn1ncc(C[N@H+]2C[C@H]([NH3+])[C@@H](C(C)C)C2)c1C ZINC000092077249 180317380 /nfs/dbraw/zinc/31/73/80/180317380.db2.gz XNPNYOCSBQWPSW-CABCVRRESA-N 2 2 264.417 2.017 50 0 CEAALP CCc1noc(C[NH+]2CCC(C[NH+](CC)CC)CC2)n1 ZINC000069416669 362967001 /nfs/dbraw/zinc/96/70/01/362967001.db2.gz IXTHKWDGZIMJHY-UHFFFAOYSA-N 2 2 280.416 2.186 50 0 CEAALP O=C(C[NH+]1CCCC1)Nc1c2c([nH+]c3c1CCC3)CCC2 ZINC000000198577 361143195 /nfs/dbraw/zinc/14/31/95/361143195.db2.gz XERJEQQLNAIUTQ-UHFFFAOYSA-N 2 2 285.391 2.093 50 0 CEAALP C1CC[NH+]([C@H]2CCC[N@@H+](C3CCSCC3)C2)C1 ZINC000019838724 361558649 /nfs/dbraw/zinc/55/86/49/361558649.db2.gz CKAIPDHPTFTJKY-AWEZNQCLSA-N 2 2 254.443 2.442 50 0 CEAALP C1CC[NH+]([C@H]2CCC[N@H+](C3CCSCC3)C2)C1 ZINC000019838724 361558653 /nfs/dbraw/zinc/55/86/53/361558653.db2.gz CKAIPDHPTFTJKY-AWEZNQCLSA-N 2 2 254.443 2.442 50 0 CEAALP C[C@H]([NH2+]C[C@@H]1CCCn2cc[nH+]c21)c1nc(C2CC2)no1 ZINC000084667646 363818532 /nfs/dbraw/zinc/81/85/32/363818532.db2.gz RNOIEKJLWCXEBU-JQWIXIFHSA-N 2 2 287.367 2.372 50 0 CEAALP CCCc1[nH+]ccn1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000095441044 364380171 /nfs/dbraw/zinc/38/01/71/364380171.db2.gz GKQMFOWFLJKHFB-UHFFFAOYSA-N 2 2 267.336 2.465 50 0 CEAALP C[C@H](c1ccsc1)[NH+]1CCN(CCn2cc[nH+]c2)CC1 ZINC000097142280 364462888 /nfs/dbraw/zinc/46/28/88/364462888.db2.gz WPDQLMMLGXMAAM-CQSZACIVSA-N 2 2 290.436 2.323 50 0 CEAALP c1cnn(Cc2ccc(C[N@@H+]3C[C@H]4CC[C@@H](C3)[NH2+]C4)cc2)c1 ZINC000097797329 364518743 /nfs/dbraw/zinc/51/87/43/364518743.db2.gz KZYPFKQWHKLWRH-ROUUACIJSA-N 2 2 296.418 2.115 50 0 CEAALP c1cnn(Cc2ccc(C[N@H+]3C[C@H]4CC[C@@H](C3)[NH2+]C4)cc2)c1 ZINC000097797329 364518754 /nfs/dbraw/zinc/51/87/54/364518754.db2.gz KZYPFKQWHKLWRH-ROUUACIJSA-N 2 2 296.418 2.115 50 0 CEAALP Oc1cccc(C[N@@H+]2CCCO[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000097759297 364519613 /nfs/dbraw/zinc/51/96/13/364519613.db2.gz QROUNXUCLDHIMQ-KRWDZBQOSA-N 2 2 290.407 2.079 50 0 CEAALP Oc1cccc(C[N@H+]2CCCO[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000097759297 364519620 /nfs/dbraw/zinc/51/96/20/364519620.db2.gz QROUNXUCLDHIMQ-KRWDZBQOSA-N 2 2 290.407 2.079 50 0 CEAALP c1csc(C[NH+]2CCC(Cn3cc[nH+]c3)CC2)n1 ZINC000097713729 364516688 /nfs/dbraw/zinc/51/66/88/364516688.db2.gz NYTBTSQJWVSUDU-UHFFFAOYSA-N 2 2 262.382 2.252 50 0 CEAALP Cc1ccccc1CN(C)c1cc(C2CC([NH3+])C2)[nH+]c(N)n1 ZINC000223300406 370263942 /nfs/dbraw/zinc/26/39/42/370263942.db2.gz YQBWYGKFKCIKBL-UHFFFAOYSA-N 2 2 297.406 2.208 50 0 CEAALP Cc1cccc(CNc2cc(C3CC([NH3+])C3)[nH+]c(N)n2)c1C ZINC000223371941 370265615 /nfs/dbraw/zinc/26/56/15/370265615.db2.gz QFYFOIRSGIGVBQ-UHFFFAOYSA-N 2 2 297.406 2.492 50 0 CEAALP c1c[nH]c(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c1 ZINC000192027075 395370455 /nfs/dbraw/zinc/37/04/55/395370455.db2.gz MOYJQJNGODSHKG-SFHVURJKSA-N 2 2 299.418 2.395 50 0 CEAALP c1c[nH]c(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1 ZINC000192027075 395370457 /nfs/dbraw/zinc/37/04/57/395370457.db2.gz MOYJQJNGODSHKG-SFHVURJKSA-N 2 2 299.418 2.395 50 0 CEAALP Cc1noc(C)c1C[NH+]1CCC(Cn2cc[nH+]c2)CC1 ZINC000020256166 171110589 /nfs/dbraw/zinc/11/05/89/171110589.db2.gz QKKWEPGPYKWJCM-UHFFFAOYSA-N 2 2 274.368 2.400 50 0 CEAALP COc1ccc([C@@H]([NH3+])[C@@H]([NH3+])c2ccc(OC)cc2)cc1 ZINC000038192709 174136003 /nfs/dbraw/zinc/13/60/03/174136003.db2.gz ZWMPRHYHRAUVGY-IYBDPMFKSA-N 2 2 272.348 2.404 50 0 CEAALP CC(C)[C@H]1CN(Cc2[nH]cc[nH+]2)CCC[N@@H+]1CC1CC1 ZINC000071552047 176196326 /nfs/dbraw/zinc/19/63/26/176196326.db2.gz WHFGOTVOWTWDNC-OAHLLOKOSA-N 2 2 276.428 2.352 50 0 CEAALP CC(C)[C@H]1CN(Cc2[nH]cc[nH+]2)CCC[N@H+]1CC1CC1 ZINC000071552047 176196328 /nfs/dbraw/zinc/19/63/28/176196328.db2.gz WHFGOTVOWTWDNC-OAHLLOKOSA-N 2 2 276.428 2.352 50 0 CEAALP C[NH+](C)CCn1ccnc1-c1ccc(-n2cc[nH+]c2)cc1 ZINC000071714542 176249455 /nfs/dbraw/zinc/24/94/55/176249455.db2.gz BYYABUAJYWXNPR-UHFFFAOYSA-N 2 2 281.363 2.297 50 0 CEAALP 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CCCn1cc[nH+]c1CNC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000095388201 364354148 /nfs/dbraw/zinc/35/41/48/364354148.db2.gz SKWALLPCMYZZIK-AWEZNQCLSA-N 2 2 292.427 2.174 50 0 CEAALP CN(C)c1cc[nH+]cc1C[N@H+](C)C[C@@H]1CCCCO1 ZINC000097138964 364460527 /nfs/dbraw/zinc/46/05/27/364460527.db2.gz BQULJJDFTNSDBT-AWEZNQCLSA-N 2 2 263.385 2.149 50 0 CEAALP CN(C)c1cc[nH+]cc1C[N@@H+](C)C[C@@H]1CCCCO1 ZINC000097138964 364460530 /nfs/dbraw/zinc/46/05/30/364460530.db2.gz BQULJJDFTNSDBT-AWEZNQCLSA-N 2 2 263.385 2.149 50 0 CEAALP C[N@H+](CCO)C1CC[NH+](Cc2ccc3ncccc3c2)CC1 ZINC000216464370 370188823 /nfs/dbraw/zinc/18/88/23/370188823.db2.gz LKITXIVYYRXPQP-UHFFFAOYSA-N 2 2 299.418 2.123 50 0 CEAALP C[N@@H+](CCO)C1CC[NH+](Cc2ccc3ncccc3c2)CC1 ZINC000216464370 370188825 /nfs/dbraw/zinc/18/88/25/370188825.db2.gz LKITXIVYYRXPQP-UHFFFAOYSA-N 2 2 299.418 2.123 50 0 CEAALP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NCc1[nH]cc[nH+]1 ZINC000248387832 371184611 /nfs/dbraw/zinc/18/46/11/371184611.db2.gz BYEIDLIPFBAKLB-DZGCQCFKSA-N 2 2 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ZINC000020661003 171269545 /nfs/dbraw/zinc/26/95/45/171269545.db2.gz YBEAAOKQNWOXIK-UHFFFAOYSA-N 2 2 259.353 2.482 50 0 CEAALP Cc1cc(Nc2ncccn2)cc(C2CC[NH2+]CC2)[nH+]1 ZINC000072343456 176372253 /nfs/dbraw/zinc/37/22/53/176372253.db2.gz YZLOQRUOVMBQPM-UHFFFAOYSA-N 2 2 269.352 2.391 50 0 CEAALP C[C@H](C(=O)N(C)C)[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000069743792 278133201 /nfs/dbraw/zinc/13/32/01/278133201.db2.gz XSNBKUSCQQXHPM-HZPDHXFCSA-N 2 2 295.471 2.051 50 0 CEAALP C[C@H](C(=O)N(C)C)[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000069743792 278133203 /nfs/dbraw/zinc/13/32/03/278133203.db2.gz XSNBKUSCQQXHPM-HZPDHXFCSA-N 2 2 295.471 2.051 50 0 CEAALP C[C@H]1CC[N@H+](Cc2cscn2)C[C@H]1n1cc[nH+]c1 ZINC000245565087 280250235 /nfs/dbraw/zinc/25/02/35/280250235.db2.gz DNZNJMSBHSWFGH-WCQYABFASA-N 2 2 262.382 2.423 50 0 CEAALP C[C@H]1CC[N@@H+](Cc2cscn2)C[C@H]1n1cc[nH+]c1 ZINC000245565087 280250237 /nfs/dbraw/zinc/25/02/37/280250237.db2.gz DNZNJMSBHSWFGH-WCQYABFASA-N 2 2 262.382 2.423 50 0 CEAALP C[C@@]1([NH2+]CC2(C[NH+]3CCOCC3)CCCCC2)CCOC1 ZINC000096493817 534274534 /nfs/dbraw/zinc/27/45/34/534274534.db2.gz DUVQSIMWKJLDKE-MRXNPFEDSA-N 2 2 296.455 2.038 50 0 CEAALP CCCOc1cccc(C[NH2+]CCn2cc[nH+]c2)c1 ZINC000041065913 632375578 /nfs/dbraw/zinc/37/55/78/632375578.db2.gz QHLVWZHAJZUSBA-UHFFFAOYSA-N 2 2 259.353 2.462 50 0 CEAALP COCCC[N@H+](Cc1cccc(C)n1)C1CC[NH+](C)CC1 ZINC000072418756 813270807 /nfs/dbraw/zinc/27/08/07/813270807.db2.gz FOGJWGOGEXFGOY-UHFFFAOYSA-N 2 2 291.439 2.323 50 0 CEAALP COCCC[N@@H+](Cc1cccc(C)n1)C1CC[NH+](C)CC1 ZINC000072418756 813270811 /nfs/dbraw/zinc/27/08/11/813270811.db2.gz FOGJWGOGEXFGOY-UHFFFAOYSA-N 2 2 291.439 2.323 50 0 CEAALP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1cn2ccsc2n1 ZINC000095967474 344237863 /nfs/dbraw/zinc/23/78/63/344237863.db2.gz LBJAEHNNSHXXCE-NQBHXWOUSA-N 2 2 278.425 2.214 50 0 CEAALP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1cn2ccsc2n1 ZINC000095967474 344237865 /nfs/dbraw/zinc/23/78/65/344237865.db2.gz LBJAEHNNSHXXCE-NQBHXWOUSA-N 2 2 278.425 2.214 50 0 CEAALP COC(=O)[C@H](C)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000051793687 362437659 /nfs/dbraw/zinc/43/76/59/362437659.db2.gz CEOXRIFYQCXAEE-AWEZNQCLSA-N 2 2 282.428 2.136 50 0 CEAALP Cc1ccc(C[NH2+]Cc2cccnc2-n2cc[nH+]c2)o1 ZINC000064609582 362791048 /nfs/dbraw/zinc/79/10/48/362791048.db2.gz BYXSWNDLJFRWOM-UHFFFAOYSA-N 2 2 268.320 2.459 50 0 CEAALP c1ccc(NC[C@H]2CC[N@H+](Cc3nnc(C4CC4)o3)C2)[nH+]c1 ZINC000065465849 362825685 /nfs/dbraw/zinc/82/56/85/362825685.db2.gz XWTHPGWMZMNGKD-GFCCVEGCSA-N 2 2 299.378 2.276 50 0 CEAALP c1ccc(NC[C@H]2CC[N@@H+](Cc3nnc(C4CC4)o3)C2)[nH+]c1 ZINC000065465849 362825691 /nfs/dbraw/zinc/82/56/91/362825691.db2.gz XWTHPGWMZMNGKD-GFCCVEGCSA-N 2 2 299.378 2.276 50 0 CEAALP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@H]2CCC[N@H+]2C)o1 ZINC000065513680 362830744 /nfs/dbraw/zinc/83/07/44/362830744.db2.gz AYZHETBRCCHMJF-CYBMUJFWSA-N 2 2 274.368 2.162 50 0 CEAALP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@H]2CCC[N@@H+]2C)o1 ZINC000065513680 362830749 /nfs/dbraw/zinc/83/07/49/362830749.db2.gz AYZHETBRCCHMJF-CYBMUJFWSA-N 2 2 274.368 2.162 50 0 CEAALP NC(=[NH2+])NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000069948201 363014584 /nfs/dbraw/zinc/01/45/84/363014584.db2.gz RSCMUSXFKKLIBE-NSHDSACASA-N 2 2 284.766 2.099 50 0 CEAALP CNc1nc(N2CCC(c3[nH]cc[nH+]3)CC2)[nH+]c2c1CCC2 ZINC000072410557 363132814 /nfs/dbraw/zinc/13/28/14/363132814.db2.gz HHDZZJCECRHYAR-UHFFFAOYSA-N 2 2 298.394 2.114 50 0 CEAALP Cc1[nH+]cn(CC[NH2+][C@H](C)CN2CCCCCC2)c1C ZINC000670437454 540409591 /nfs/dbraw/zinc/40/95/91/540409591.db2.gz LXMKGASWYSVXFH-CQSZACIVSA-N 2 2 278.444 2.354 50 0 CEAALP Cc1[nH+]cn(CCN[C@H](C)C[NH+]2CCCCCC2)c1C ZINC000670437454 540409595 /nfs/dbraw/zinc/40/95/95/540409595.db2.gz LXMKGASWYSVXFH-CQSZACIVSA-N 2 2 278.444 2.354 50 0 CEAALP C[N@@H+](CC(=O)NC1CCCCC1)C[C@H]1CC[NH+](C)C1(C)C ZINC000670444037 540412897 /nfs/dbraw/zinc/41/28/97/540412897.db2.gz JSTBOAUTKRAIKV-CQSZACIVSA-N 2 2 295.471 2.097 50 0 CEAALP C[N@H+](CC(=O)NC1CCCCC1)C[C@H]1CC[NH+](C)C1(C)C ZINC000670444037 540412900 /nfs/dbraw/zinc/41/29/00/540412900.db2.gz JSTBOAUTKRAIKV-CQSZACIVSA-N 2 2 295.471 2.097 50 0 CEAALP C[NH+](CC(=O)NC1CCCCC1)C[C@H]1CC[N@H+](C)C1(C)C ZINC000670444037 540412903 /nfs/dbraw/zinc/41/29/03/540412903.db2.gz JSTBOAUTKRAIKV-CQSZACIVSA-N 2 2 295.471 2.097 50 0 CEAALP C[NH+](CC(=O)NC1CCCCC1)C[C@H]1CC[N@@H+](C)C1(C)C ZINC000670444037 540412905 /nfs/dbraw/zinc/41/29/05/540412905.db2.gz JSTBOAUTKRAIKV-CQSZACIVSA-N 2 2 295.471 2.097 50 0 CEAALP c1cc(OC2CC[NH+](C[C@@H]3CCCCO3)CC2)cc[nH+]1 ZINC000670447569 540414122 /nfs/dbraw/zinc/41/41/22/540414122.db2.gz DREKRBOFXWWZPK-INIZCTEOSA-N 2 2 276.380 2.494 50 0 CEAALP CC(C)Cc1cc(C[N@H+](C)C[C@]2(C)CC[NH+](C)C2)[nH]n1 ZINC000670458645 540420672 /nfs/dbraw/zinc/42/06/72/540420672.db2.gz VYCMAIKCBHWBBO-MRXNPFEDSA-N 2 2 278.444 2.382 50 0 CEAALP CC(C)Cc1cc(C[N@@H+](C)C[C@]2(C)CC[NH+](C)C2)[nH]n1 ZINC000670458645 540420674 /nfs/dbraw/zinc/42/06/74/540420674.db2.gz VYCMAIKCBHWBBO-MRXNPFEDSA-N 2 2 278.444 2.382 50 0 CEAALP CC(C)Cc1cc(C[NH+](C)C[C@]2(C)CC[N@H+](C)C2)[nH]n1 ZINC000670458645 540420676 /nfs/dbraw/zinc/42/06/76/540420676.db2.gz VYCMAIKCBHWBBO-MRXNPFEDSA-N 2 2 278.444 2.382 50 0 CEAALP CC(C)Cc1cc(C[NH+](C)C[C@]2(C)CC[N@@H+](C)C2)[nH]n1 ZINC000670458645 540420678 /nfs/dbraw/zinc/42/06/78/540420678.db2.gz VYCMAIKCBHWBBO-MRXNPFEDSA-N 2 2 278.444 2.382 50 0 CEAALP Cc1[nH+]c(CN2CCC[C@H](C[NH+]3CCCC3)C2)n(C)c1C ZINC000670460958 540421416 /nfs/dbraw/zinc/42/14/16/540421416.db2.gz CTWJEXIBUOTWOA-MRXNPFEDSA-N 2 2 290.455 2.345 50 0 CEAALP COc1cc(C[N@H+](C)C2CC[NH+](C)CC2)cc(OC)c1 ZINC000000210754 361146877 /nfs/dbraw/zinc/14/68/77/361146877.db2.gz NFZHBOZJMWSIFO-UHFFFAOYSA-N 2 2 278.396 2.230 50 0 CEAALP COc1cc(C[N@@H+](C)C2CC[NH+](C)CC2)cc(OC)c1 ZINC000000210754 361146882 /nfs/dbraw/zinc/14/68/82/361146882.db2.gz NFZHBOZJMWSIFO-UHFFFAOYSA-N 2 2 278.396 2.230 50 0 CEAALP Cn1c(CCC[NH2+][C@@H]2CCCOC2)[nH+]c2ccccc21 ZINC000181021235 189286897 /nfs/dbraw/zinc/28/68/97/189286897.db2.gz KNSZYSSBVRXSHG-CYBMUJFWSA-N 2 2 273.380 2.275 50 0 CEAALP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2cncs2)C1 ZINC000097236849 364486232 /nfs/dbraw/zinc/48/62/32/364486232.db2.gz VHIRIFBCWTUKQT-LBPRGKRZSA-N 2 2 276.409 2.331 50 0 CEAALP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2cncs2)C1 ZINC000097236849 364486236 /nfs/dbraw/zinc/48/62/36/364486236.db2.gz VHIRIFBCWTUKQT-LBPRGKRZSA-N 2 2 276.409 2.331 50 0 CEAALP C[C@](O)(C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)C(F)(F)F ZINC000241132829 291341197 /nfs/dbraw/zinc/34/11/97/291341197.db2.gz JLZUANGPJBZBJM-OLZOCXBDSA-N 2 2 294.361 2.250 50 0 CEAALP C[C@](O)(C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)C(F)(F)F ZINC000241132829 291341200 /nfs/dbraw/zinc/34/12/00/291341200.db2.gz JLZUANGPJBZBJM-OLZOCXBDSA-N 2 2 294.361 2.250 50 0 CEAALP c1[nH+]cn(Cc2ccccc2)c1CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000244707951 370795350 /nfs/dbraw/zinc/79/53/50/370795350.db2.gz KKRQSSNLVJVCSQ-KRWDZBQOSA-N 2 2 296.418 2.211 50 0 CEAALP c1[nH+]cn(Cc2ccccc2)c1CN1CC[N@H+]2CCC[C@H]2C1 ZINC000244707951 370795356 /nfs/dbraw/zinc/79/53/56/370795356.db2.gz KKRQSSNLVJVCSQ-KRWDZBQOSA-N 2 2 296.418 2.211 50 0 CEAALP OCc1ccc(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)o1 ZINC000174302197 368007610 /nfs/dbraw/zinc/00/76/10/368007610.db2.gz VJMUKKQIMBMWSD-UHFFFAOYSA-N 2 2 283.331 2.247 50 0 CEAALP CSc1ncc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cn1 ZINC000215908412 370180881 /nfs/dbraw/zinc/18/08/81/370180881.db2.gz SXKGEOGGZAYXPY-UHFFFAOYSA-N 2 2 289.408 2.301 50 0 CEAALP CCc1[nH+]c(CCc2ccc3c(c2)OCO3)n2c1C[NH2+]CC2 ZINC000299800623 379142717 /nfs/dbraw/zinc/14/27/17/379142717.db2.gz UNVZBNUEHYDYCB-UHFFFAOYSA-N 2 2 299.374 2.063 50 0 CEAALP CC[NH+]1CCC([N@H+](C)[C@@H](COC)c2ccccn2)CC1 ZINC000065461887 285186873 /nfs/dbraw/zinc/18/68/73/285186873.db2.gz LONQSSJQUWBGSL-INIZCTEOSA-N 2 2 277.412 2.185 50 0 CEAALP CC[NH+]1CCC([N@@H+](C)[C@@H](COC)c2ccccn2)CC1 ZINC000065461887 285186877 /nfs/dbraw/zinc/18/68/77/285186877.db2.gz LONQSSJQUWBGSL-INIZCTEOSA-N 2 2 277.412 2.185 50 0 CEAALP CCn1nc(C)cc1C[NH+]1CCN(c2cc[nH+]cc2C)CC1 ZINC000019222873 134699698 /nfs/dbraw/zinc/69/96/98/134699698.db2.gz ABRRXFQDAWEYAB-UHFFFAOYSA-N 2 2 299.422 2.237 50 0 CEAALP CCC[N@@H+]1CCC[C@H]1c1nc([C@H](C)n2cc[nH+]c2)no1 ZINC000108503191 400268844 /nfs/dbraw/zinc/26/88/44/400268844.db2.gz OGRVCQRACMIORD-RYUDHWBXSA-N 2 2 275.356 2.422 50 0 CEAALP CCC[N@H+]1CCC[C@H]1c1nc([C@H](C)n2cc[nH+]c2)no1 ZINC000108503191 400268847 /nfs/dbraw/zinc/26/88/47/400268847.db2.gz OGRVCQRACMIORD-RYUDHWBXSA-N 2 2 275.356 2.422 50 0 CEAALP Clc1ccc(CN2CC[NH+](C[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000077520595 177277721 /nfs/dbraw/zinc/27/77/21/177277721.db2.gz KATZAMBXUGLVNR-OAHLLOKOSA-N 2 2 293.842 2.067 50 0 CEAALP Clc1ccc(C[NH+]2CCN(C[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000077520595 177277722 /nfs/dbraw/zinc/27/77/22/177277722.db2.gz KATZAMBXUGLVNR-OAHLLOKOSA-N 2 2 293.842 2.067 50 0 CEAALP [NH3+]CCNc1cc(C(F)(F)F)cc(N2CCCC2)[nH+]1 ZINC000043179108 274946220 /nfs/dbraw/zinc/94/62/20/274946220.db2.gz IUZDRSASTPIFPW-UHFFFAOYSA-N 2 2 274.290 2.071 50 0 CEAALP CCCn1cc[nH+]c1CN1CCCC[C@H]([NH+](C)C)C1 ZINC000082097655 278993944 /nfs/dbraw/zinc/99/39/44/278993944.db2.gz VEYQPVJMDAEDEU-AWEZNQCLSA-N 2 2 264.417 2.209 50 0 CEAALP C[C@@H](Cn1cc[nH+]c1)[NH2+]CCCc1nc2ccccc2n1C ZINC000534649963 328336473 /nfs/dbraw/zinc/33/64/73/328336473.db2.gz PYCXPHXKRHHEMW-AWEZNQCLSA-N 2 2 297.406 2.381 50 0 CEAALP C[NH+](C)Cc1nc(C[NH2+]CC2(C)CC[NH+](C)CC2)cs1 ZINC000585118403 813684452 /nfs/dbraw/zinc/68/44/52/813684452.db2.gz MYXZILKYMGLLPS-UHFFFAOYSA-N 3 2 296.484 2.026 50 0 CEAALP C[C@H](c1ccccn1)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000096490457 230382508 /nfs/dbraw/zinc/38/25/08/230382508.db2.gz VVEGCNCOCXAJAU-OAHLLOKOSA-N 2 2 290.455 2.100 50 0 CEAALP C[C@H](c1ccccn1)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000096490457 230382509 /nfs/dbraw/zinc/38/25/09/230382509.db2.gz VVEGCNCOCXAJAU-OAHLLOKOSA-N 2 2 290.455 2.100 50 0 CEAALP CCc1nc2n(n1)CCC[C@@H]2[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000095969204 185047720 /nfs/dbraw/zinc/04/77/20/185047720.db2.gz INTONLLXHNJPKU-AWEZNQCLSA-N 2 2 291.443 2.138 50 0 CEAALP c1c(CC[NH2+]C2CSCCSC2)[nH+]c2ccccn12 ZINC000584890143 344999651 /nfs/dbraw/zinc/99/96/51/344999651.db2.gz SIXKAUSNLIDFOF-UHFFFAOYSA-N 2 2 293.461 2.315 50 0 CEAALP CNc1ncccc1C[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000584892800 345000240 /nfs/dbraw/zinc/00/02/40/345000240.db2.gz WDSPRKAWFVYEJM-INIZCTEOSA-N 2 2 274.412 2.041 50 0 CEAALP CNc1ncccc1C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000584892800 345000243 /nfs/dbraw/zinc/00/02/43/345000243.db2.gz WDSPRKAWFVYEJM-INIZCTEOSA-N 2 2 274.412 2.041 50 0 CEAALP CNc1ncccc1C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000584892800 345000245 /nfs/dbraw/zinc/00/02/45/345000245.db2.gz WDSPRKAWFVYEJM-INIZCTEOSA-N 2 2 274.412 2.041 50 0 CEAALP CNc1ncccc1C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000584892800 345000247 /nfs/dbraw/zinc/00/02/47/345000247.db2.gz WDSPRKAWFVYEJM-INIZCTEOSA-N 2 2 274.412 2.041 50 0 CEAALP Cc1ccc2[nH]c(CC[NH2+]C3CC[NH+](C)CC3)nc2c1C ZINC000584902755 345004790 /nfs/dbraw/zinc/00/47/90/345004790.db2.gz CKLJMXZMGPXAHO-UHFFFAOYSA-N 2 2 286.423 2.406 50 0 CEAALP Cc1cccn2c(C[NH2+][C@@H](C)CCn3cccn3)c[nH+]c12 ZINC000065393545 362815229 /nfs/dbraw/zinc/81/52/29/362815229.db2.gz XPOURCUSADUOJO-AWEZNQCLSA-N 2 2 283.379 2.408 50 0 CEAALP Cc1ccccc1C[NH+]1CCC([NH2+]Cc2ncc[nH]2)CC1 ZINC000067668255 362916905 /nfs/dbraw/zinc/91/69/05/362916905.db2.gz ACYRCGBEGYAVGC-UHFFFAOYSA-N 2 2 284.407 2.472 50 0 CEAALP Cc1ccccc1C[NH+]1CCC(NCc2[nH]cc[nH+]2)CC1 ZINC000067668255 362916908 /nfs/dbraw/zinc/91/69/08/362916908.db2.gz ACYRCGBEGYAVGC-UHFFFAOYSA-N 2 2 284.407 2.472 50 0 CEAALP COc1ccc(-c2[nH+]ccn2C[C@@H]2CC[NH2+]C2)cc1C ZINC000067676579 362917914 /nfs/dbraw/zinc/91/79/14/362917914.db2.gz XIADXQRRNJZBQS-CYBMUJFWSA-N 2 2 271.364 2.477 50 0 CEAALP c1c[nH+]c([C@@H]2CCC[N@@H+](Cc3cccc4nonc43)C2)[nH]1 ZINC000670461670 540421252 /nfs/dbraw/zinc/42/12/52/540421252.db2.gz NYVOYGBMDQLTGA-GFCCVEGCSA-N 2 2 283.335 2.326 50 0 CEAALP c1c[nH+]c([C@@H]2CCC[N@H+](Cc3cccc4nonc43)C2)[nH]1 ZINC000670461670 540421256 /nfs/dbraw/zinc/42/12/56/540421256.db2.gz NYVOYGBMDQLTGA-GFCCVEGCSA-N 2 2 283.335 2.326 50 0 CEAALP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc2ccccc2c1 ZINC000002510070 361236871 /nfs/dbraw/zinc/23/68/71/361236871.db2.gz DKDILZBBFKZMRO-HNNXBMFYSA-N 2 2 280.331 2.071 50 0 in-vitro CEAALP CCCCSc1nc(N)cc(NC[C@H]2CC[N@H+](C)C2)[nH+]1 ZINC000095383402 364353043 /nfs/dbraw/zinc/35/30/43/364353043.db2.gz YOSXWQVEJVLNIQ-LLVKDONJSA-N 2 2 295.456 2.315 50 0 CEAALP CCCCSc1nc(N)cc(NC[C@H]2CC[N@@H+](C)C2)[nH+]1 ZINC000095383402 364353050 /nfs/dbraw/zinc/35/30/50/364353050.db2.gz YOSXWQVEJVLNIQ-LLVKDONJSA-N 2 2 295.456 2.315 50 0 CEAALP c1cn(CC[N@@H+]2CCO[C@H](CCc3ccccc3)C2)c[nH+]1 ZINC000097112753 364455520 /nfs/dbraw/zinc/45/55/20/364455520.db2.gz VTRKBNYPHVZOIZ-QGZVFWFLSA-N 2 2 285.391 2.217 50 0 CEAALP c1cn(CC[N@H+]2CCO[C@H](CCc3ccccc3)C2)c[nH+]1 ZINC000097112753 364455525 /nfs/dbraw/zinc/45/55/25/364455525.db2.gz VTRKBNYPHVZOIZ-QGZVFWFLSA-N 2 2 285.391 2.217 50 0 CEAALP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NCc1[nH]cc[nH+]1 ZINC000097142211 364462448 /nfs/dbraw/zinc/46/24/48/364462448.db2.gz BYEIDLIPFBAKLB-HIFRSBDPSA-N 2 2 270.380 2.020 50 0 CEAALP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NCc1[nH]cc[nH+]1 ZINC000097142211 364462453 /nfs/dbraw/zinc/46/24/53/364462453.db2.gz BYEIDLIPFBAKLB-HIFRSBDPSA-N 2 2 270.380 2.020 50 0 CEAALP c1cn(CC2CC[NH+](Cc3ccncc3)CC2)c[nH+]1 ZINC000097532731 364508356 /nfs/dbraw/zinc/50/83/56/364508356.db2.gz VYBGFQVYZHBWIM-UHFFFAOYSA-N 2 2 256.353 2.190 50 0 CEAALP CCc1cc(NC[C@H]2C[N@H+](CC(C)C)CCO2)nc(C)[nH+]1 ZINC000180422221 368381699 /nfs/dbraw/zinc/38/16/99/368381699.db2.gz OYKNYWLBZMMBCZ-HNNXBMFYSA-N 2 2 292.427 2.116 50 0 CEAALP CCc1cc(NC[C@H]2C[N@@H+](CC(C)C)CCO2)nc(C)[nH+]1 ZINC000180422221 368381706 /nfs/dbraw/zinc/38/17/06/368381706.db2.gz OYKNYWLBZMMBCZ-HNNXBMFYSA-N 2 2 292.427 2.116 50 0 CEAALP COc1cc(F)ccc1C[N@H+]1[C@@H]2CC[C@H]1[C@H]1C[NH2+]C[C@H]12 ZINC000426465306 377408531 /nfs/dbraw/zinc/40/85/31/377408531.db2.gz UZNIFNZVUWGGDS-NMWPEEMBSA-N 2 2 276.355 2.017 50 0 CEAALP COc1cc(F)ccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H]1C[NH2+]C[C@H]12 ZINC000426465306 377408536 /nfs/dbraw/zinc/40/85/36/377408536.db2.gz UZNIFNZVUWGGDS-NMWPEEMBSA-N 2 2 276.355 2.017 50 0 CEAALP CN(C)c1cc(NC(=O)C[NH+]2CCCC2)c2ccccc2[nH+]1 ZINC000004765449 170013531 /nfs/dbraw/zinc/01/35/31/170013531.db2.gz HVWSWVLRDDKKDR-UHFFFAOYSA-N 2 2 298.390 2.335 50 0 CEAALP Cc1ccccc1C[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000072153833 176327743 /nfs/dbraw/zinc/32/77/43/176327743.db2.gz SHYWMFHNMCCEDO-UHFFFAOYSA-N 2 2 270.380 2.036 50 0 CEAALP Cc1[nH+]c[nH]c1CN1CCC[N@@H+](C2CCCC2)CC1 ZINC000077375829 177260773 /nfs/dbraw/zinc/26/07/73/177260773.db2.gz ORCHZOVZORFHDR-UHFFFAOYSA-N 2 2 262.401 2.168 50 0 CEAALP Cc1[nH+]c[nH]c1CN1CCC[N@H+](C2CCCC2)CC1 ZINC000077375829 177260775 /nfs/dbraw/zinc/26/07/75/177260775.db2.gz ORCHZOVZORFHDR-UHFFFAOYSA-N 2 2 262.401 2.168 50 0 CEAALP C[C@H](C(=O)N(C)C)[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000229562652 289242154 /nfs/dbraw/zinc/24/21/54/289242154.db2.gz XSNBKUSCQQXHPM-CVEARBPZSA-N 2 2 295.471 2.051 50 0 CEAALP C[C@H](C(=O)N(C)C)[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000229562652 289242158 /nfs/dbraw/zinc/24/21/58/289242158.db2.gz XSNBKUSCQQXHPM-CVEARBPZSA-N 2 2 295.471 2.051 50 0 CEAALP CCSC[C@H](C)[NH2+]CC1(Cn2cc[nH+]c2)CC1 ZINC000534636916 328334115 /nfs/dbraw/zinc/33/41/15/328334115.db2.gz OPILKDPDDLBDST-LBPRGKRZSA-N 2 2 253.415 2.395 50 0 CEAALP C[C@@H]1CCCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)[C@H]1C[NH3+] ZINC000156926829 524210911 /nfs/dbraw/zinc/21/09/11/524210911.db2.gz SOOZZLYONFEREC-CJNGLKHVSA-N 2 2 298.390 2.072 50 0 CEAALP C[N@H+](Cc1ccc(F)c(F)c1)C1CC[NH+](C)CC1 ZINC000000199734 628578338 /nfs/dbraw/zinc/57/83/38/628578338.db2.gz GSTFANJENKVSRD-UHFFFAOYSA-N 2 2 254.324 2.491 50 0 CEAALP C[N@@H+](Cc1ccc(F)c(F)c1)C1CC[NH+](C)CC1 ZINC000000199734 628578340 /nfs/dbraw/zinc/57/83/40/628578340.db2.gz GSTFANJENKVSRD-UHFFFAOYSA-N 2 2 254.324 2.491 50 0 CEAALP CS[C@@H](C)C[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000090726498 631457706 /nfs/dbraw/zinc/45/77/06/631457706.db2.gz NJQWSEDMCLFXIE-ZDUSSCGKSA-N 2 2 279.453 2.387 50 0 CEAALP CC[C@@H]([NH2+]CCn1cc[nH+]c1)c1nc(C)cs1 ZINC000096013863 185065656 /nfs/dbraw/zinc/06/56/56/185065656.db2.gz YWTIFSGKPXCVEN-LLVKDONJSA-N 2 2 250.371 2.389 50 0 CEAALP c1cn(-c2ccc(C[NH2+]CCN3CCCCC3)cc2)c[nH+]1 ZINC000042314693 362082413 /nfs/dbraw/zinc/08/24/13/362082413.db2.gz HSRZXMWCFUZZJL-UHFFFAOYSA-N 2 2 284.407 2.448 50 0 CEAALP Cc1csc(C[NH2+][C@@H]2[C@@H]3CCC[NH2+][C@H]3C2(C)C)n1 ZINC000685943287 539306623 /nfs/dbraw/zinc/30/66/23/539306623.db2.gz KEVDQZJTDUFHHU-RAIGVLPGSA-N 2 2 265.426 2.318 50 0 CEAALP CCCCc1[nH]c(C[N@H+](C)C[C@@H]2CCOC2)c[nH+]1 ZINC000584898760 345002544 /nfs/dbraw/zinc/00/25/44/345002544.db2.gz MXENMWHFQZGSNX-LBPRGKRZSA-N 2 2 251.374 2.221 50 0 CEAALP CCCCc1[nH]c(C[N@@H+](C)C[C@@H]2CCOC2)c[nH+]1 ZINC000584898760 345002546 /nfs/dbraw/zinc/00/25/46/345002546.db2.gz MXENMWHFQZGSNX-LBPRGKRZSA-N 2 2 251.374 2.221 50 0 CEAALP COc1c(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)c(C)nn1C ZINC000058300215 362620214 /nfs/dbraw/zinc/62/02/14/362620214.db2.gz MOLUKGZGVWDAMM-UHFFFAOYSA-N 2 2 294.443 2.090 50 0 CEAALP Cn1cc[nH+]c1C1CC[NH+](CC[C@H]2CCOC2)CC1 ZINC000091679082 180225245 /nfs/dbraw/zinc/22/52/45/180225245.db2.gz NRXFIZSHDABBIZ-ZDUSSCGKSA-N 2 2 263.385 2.026 50 0 CEAALP c1c[nH+]c([C@H]2CCC[N@@H+](Cc3cccc4nonc43)C2)[nH]1 ZINC000670461671 540421101 /nfs/dbraw/zinc/42/11/01/540421101.db2.gz NYVOYGBMDQLTGA-LBPRGKRZSA-N 2 2 283.335 2.326 50 0 CEAALP c1c[nH+]c([C@H]2CCC[N@H+](Cc3cccc4nonc43)C2)[nH]1 ZINC000670461671 540421104 /nfs/dbraw/zinc/42/11/04/540421104.db2.gz NYVOYGBMDQLTGA-LBPRGKRZSA-N 2 2 283.335 2.326 50 0 CEAALP CCc1noc(C[N@@H+]2CCC[C@@H](Cn3cc[nH+]c3C)C2)n1 ZINC000670467548 540425403 /nfs/dbraw/zinc/42/54/03/540425403.db2.gz VFAXQVIFOROYBL-CYBMUJFWSA-N 2 2 289.383 2.049 50 0 CEAALP CCc1noc(C[N@H+]2CCC[C@@H](Cn3cc[nH+]c3C)C2)n1 ZINC000670467548 540425404 /nfs/dbraw/zinc/42/54/04/540425404.db2.gz VFAXQVIFOROYBL-CYBMUJFWSA-N 2 2 289.383 2.049 50 0 CEAALP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000082115164 363751601 /nfs/dbraw/zinc/75/16/01/363751601.db2.gz DCQSRGNHASBGTB-HNNXBMFYSA-N 3 2 287.411 2.195 50 0 CEAALP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000082115164 363751602 /nfs/dbraw/zinc/75/16/02/363751602.db2.gz DCQSRGNHASBGTB-HNNXBMFYSA-N 3 2 287.411 2.195 50 0 CEAALP C1CC[NH+]([C@@H]2CCC[N@@H+](C3CCSCC3)C2)C1 ZINC000019838722 361559853 /nfs/dbraw/zinc/55/98/53/361559853.db2.gz CKAIPDHPTFTJKY-CQSZACIVSA-N 2 2 254.443 2.442 50 0 CEAALP C1CC[NH+]([C@@H]2CCC[N@H+](C3CCSCC3)C2)C1 ZINC000019838722 361559855 /nfs/dbraw/zinc/55/98/55/361559855.db2.gz CKAIPDHPTFTJKY-CQSZACIVSA-N 2 2 254.443 2.442 50 0 CEAALP CC[C@@H](C(=O)NCc1c[nH+]c(C)cc1C)[NH+]1CCCC1 ZINC000240517167 370780013 /nfs/dbraw/zinc/78/00/13/370780013.db2.gz NWCMGBCKXCXMGO-HNNXBMFYSA-N 2 2 275.396 2.189 50 0 CEAALP c1c[nH+]c(CN2C[C@H]3CC[C@H](C[N@H+]3CC3CCC3)C2)[nH]1 ZINC000095374967 364351326 /nfs/dbraw/zinc/35/13/26/364351326.db2.gz OIGYKESVECEBQR-LSDHHAIUSA-N 2 2 274.412 2.106 50 0 CEAALP c1c[nH+]c(CN2C[C@H]3CC[C@H](C[N@@H+]3CC3CCC3)C2)[nH]1 ZINC000095374967 364351331 /nfs/dbraw/zinc/35/13/31/364351331.db2.gz OIGYKESVECEBQR-LSDHHAIUSA-N 2 2 274.412 2.106 50 0 CEAALP C[NH+](C)Cc1ccccc1C[N@H+](C)Cc1cnc[nH]1 ZINC000097758045 364519538 /nfs/dbraw/zinc/51/95/38/364519538.db2.gz UNJHTNILTYVCKD-UHFFFAOYSA-N 2 2 258.369 2.103 50 0 CEAALP C[NH+](C)Cc1ccccc1C[N@@H+](C)Cc1cnc[nH]1 ZINC000097758045 364519543 /nfs/dbraw/zinc/51/95/43/364519543.db2.gz UNJHTNILTYVCKD-UHFFFAOYSA-N 2 2 258.369 2.103 50 0 CEAALP C[NH+](C)Cc1ccccc1C[N@H+](C)Cc1c[nH]cn1 ZINC000097758045 364519547 /nfs/dbraw/zinc/51/95/47/364519547.db2.gz UNJHTNILTYVCKD-UHFFFAOYSA-N 2 2 258.369 2.103 50 0 CEAALP C[NH+](C)Cc1ccccc1C[N@@H+](C)Cc1c[nH]cn1 ZINC000097758045 364519550 /nfs/dbraw/zinc/51/95/50/364519550.db2.gz UNJHTNILTYVCKD-UHFFFAOYSA-N 2 2 258.369 2.103 50 0 CEAALP Cc1ccc(O)c(C[NH2+]C2CC[NH+](C(C)C)CC2)n1 ZINC000112716416 364834782 /nfs/dbraw/zinc/83/47/82/364834782.db2.gz WUFLLDFXLLXXAY-UHFFFAOYSA-N 2 2 263.385 2.058 50 0 CEAALP Cc1cc(C)c(CNC(=O)C[N@@H+](C)C2CCCC2)c[nH+]1 ZINC000243885715 370790632 /nfs/dbraw/zinc/79/06/32/370790632.db2.gz ABUBQVOFNCSQFB-UHFFFAOYSA-N 2 2 275.396 2.189 50 0 CEAALP Cc1cc(C)c(CNC(=O)C[N@H+](C)C2CCCC2)c[nH+]1 ZINC000243885715 370790637 /nfs/dbraw/zinc/79/06/37/370790637.db2.gz ABUBQVOFNCSQFB-UHFFFAOYSA-N 2 2 275.396 2.189 50 0 CEAALP COC[C@H](C)[N@@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195265801 370120933 /nfs/dbraw/zinc/12/09/33/370120933.db2.gz YNXQRIALMNTBIF-GXTWGEPZSA-N 2 2 297.468 2.240 50 0 CEAALP COC[C@H](C)[N@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195265801 370120937 /nfs/dbraw/zinc/12/09/37/370120937.db2.gz YNXQRIALMNTBIF-GXTWGEPZSA-N 2 2 297.468 2.240 50 0 CEAALP COC[C@H](C)[NH+]1CC[C@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000195265801 370120941 /nfs/dbraw/zinc/12/09/41/370120941.db2.gz YNXQRIALMNTBIF-GXTWGEPZSA-N 2 2 297.468 2.240 50 0 CEAALP COC[C@H](C)[NH+]1CC[C@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000195265801 370120945 /nfs/dbraw/zinc/12/09/45/370120945.db2.gz YNXQRIALMNTBIF-GXTWGEPZSA-N 2 2 297.468 2.240 50 0 CEAALP COCC[N@H+](Cc1cc(C(C)C)no1)C1CC[NH+](C)CC1 ZINC000219124684 370219505 /nfs/dbraw/zinc/21/95/05/370219505.db2.gz ZUUHUUJXYBYRGC-UHFFFAOYSA-N 2 2 295.427 2.341 50 0 CEAALP COCC[N@@H+](Cc1cc(C(C)C)no1)C1CC[NH+](C)CC1 ZINC000219124684 370219509 /nfs/dbraw/zinc/21/95/09/370219509.db2.gz ZUUHUUJXYBYRGC-UHFFFAOYSA-N 2 2 295.427 2.341 50 0 CEAALP C=Cn1cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cn1 ZINC000248873811 371259642 /nfs/dbraw/zinc/25/96/42/371259642.db2.gz IQCFUGMDAVJJOT-RDJZCZTQSA-N 2 2 286.423 2.432 50 0 CEAALP C=Cn1cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cn1 ZINC000248873811 371259645 /nfs/dbraw/zinc/25/96/45/371259645.db2.gz IQCFUGMDAVJJOT-RDJZCZTQSA-N 2 2 286.423 2.432 50 0 CEAALP C=Cn1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cn1 ZINC000248873811 371259649 /nfs/dbraw/zinc/25/96/49/371259649.db2.gz IQCFUGMDAVJJOT-RDJZCZTQSA-N 2 2 286.423 2.432 50 0 CEAALP C=Cn1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cn1 ZINC000248873811 371259657 /nfs/dbraw/zinc/25/96/57/371259657.db2.gz IQCFUGMDAVJJOT-RDJZCZTQSA-N 2 2 286.423 2.432 50 0 CEAALP C[N@@H+]1CCCC[C@H]1CC[NH+](CCO)Cc1ccccc1F ZINC000299766088 379131485 /nfs/dbraw/zinc/13/14/85/379131485.db2.gz CAWRFWKGPJUTDG-INIZCTEOSA-N 2 2 294.414 2.494 50 0 CEAALP C[N@H+]1CCCC[C@H]1CC[NH+](CCO)Cc1ccccc1F ZINC000299766088 379131490 /nfs/dbraw/zinc/13/14/90/379131490.db2.gz CAWRFWKGPJUTDG-INIZCTEOSA-N 2 2 294.414 2.494 50 0 CEAALP C[NH+]1CCCC[C@H]1CC[N@H+](CCO)Cc1ccccc1F ZINC000299766088 379131494 /nfs/dbraw/zinc/13/14/94/379131494.db2.gz CAWRFWKGPJUTDG-INIZCTEOSA-N 2 2 294.414 2.494 50 0 CEAALP C[NH+]1CCCC[C@H]1CC[N@@H+](CCO)Cc1ccccc1F ZINC000299766088 379131501 /nfs/dbraw/zinc/13/15/01/379131501.db2.gz CAWRFWKGPJUTDG-INIZCTEOSA-N 2 2 294.414 2.494 50 0 CEAALP c1cn(C2CC[NH+](CCc3ccncc3)CC2)c[nH+]1 ZINC000071897228 176292776 /nfs/dbraw/zinc/29/27/76/176292776.db2.gz PMFBUNSNSVBYCL-UHFFFAOYSA-N 2 2 256.353 2.158 50 0 CEAALP Cc1cc(Nc2ncccn2)cc([C@H]2CC[NH2+]C2)[nH+]1 ZINC000077010984 177146426 /nfs/dbraw/zinc/14/64/26/177146426.db2.gz VLMZRHIKKDGDIX-NSHDSACASA-N 2 2 255.325 2.001 50 0 CEAALP C[C@@](O)(C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)C(F)(F)F ZINC000241132828 289118077 /nfs/dbraw/zinc/11/80/77/289118077.db2.gz JLZUANGPJBZBJM-CHWSQXEVSA-N 2 2 294.361 2.250 50 0 CEAALP C[C@@](O)(C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)C(F)(F)F ZINC000241132828 289118080 /nfs/dbraw/zinc/11/80/80/289118080.db2.gz JLZUANGPJBZBJM-CHWSQXEVSA-N 2 2 294.361 2.250 50 0 CEAALP COc1ccc(C[NH2+]Cc2c[nH+]ccc2N(C)C)cc1O ZINC000185178742 641947399 /nfs/dbraw/zinc/94/73/99/641947399.db2.gz KOBIMPFMZDMEKP-UHFFFAOYSA-N 2 2 287.363 2.152 50 0 CEAALP Cc1[nH+]ccn1CC[C@H](C)[N@@H+]1CCc2nocc2C1 ZINC000821758637 810572357 /nfs/dbraw/zinc/57/23/57/810572357.db2.gz UCIOOPMCMAAHPC-NSHDSACASA-N 2 2 260.341 2.016 50 0 CEAALP Cc1[nH+]ccn1CC[C@H](C)[N@H+]1CCc2nocc2C1 ZINC000821758637 810572365 /nfs/dbraw/zinc/57/23/65/810572365.db2.gz UCIOOPMCMAAHPC-NSHDSACASA-N 2 2 260.341 2.016 50 0 CEAALP Cn1cc[nH+]c1CC[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCO1 ZINC000019146282 810722145 /nfs/dbraw/zinc/72/21/45/810722145.db2.gz LIVVTLMTTRTOQR-GJZGRUSLSA-N 2 2 277.412 2.386 50 0 CEAALP Cn1cc[nH+]c1CC[C@@H]1CCCC[N@H+]1C[C@@H]1CCCO1 ZINC000019146282 810722150 /nfs/dbraw/zinc/72/21/50/810722150.db2.gz LIVVTLMTTRTOQR-GJZGRUSLSA-N 2 2 277.412 2.386 50 0 CEAALP Cc1cc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)nc(C2CC2)[nH+]1 ZINC000095962824 185044256 /nfs/dbraw/zinc/04/42/56/185044256.db2.gz OWENWTWLLGZFNC-KGLIPLIRSA-N 2 2 272.396 2.335 50 0 CEAALP Cc1cc(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)nc(C2CC2)[nH+]1 ZINC000095962824 185044258 /nfs/dbraw/zinc/04/42/58/185044258.db2.gz OWENWTWLLGZFNC-KGLIPLIRSA-N 2 2 272.396 2.335 50 0 CEAALP C[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1ccccc1C(F)(F)F ZINC000095967773 185047136 /nfs/dbraw/zinc/04/71/36/185047136.db2.gz XIORFEPXSVQUNB-GHMZBOCLSA-N 2 2 290.329 2.279 50 0 CEAALP Cc1cc(F)ccc1N1CCC([NH2+][C@@H]2CC[N@@H+](C)C2)CC1 ZINC000584887671 344998222 /nfs/dbraw/zinc/99/82/22/344998222.db2.gz VLYYRTLKUFQVJI-MRXNPFEDSA-N 2 2 291.414 2.397 50 0 CEAALP Cc1cc(F)ccc1N1CCC([NH2+][C@@H]2CC[N@H+](C)C2)CC1 ZINC000584887671 344998235 /nfs/dbraw/zinc/99/82/35/344998235.db2.gz VLYYRTLKUFQVJI-MRXNPFEDSA-N 2 2 291.414 2.397 50 0 CEAALP Cc1[nH+]c2cc(C[NH2+][C@H]3CCSC3)ccc2n1C ZINC000584893211 345000707 /nfs/dbraw/zinc/00/07/07/345000707.db2.gz PZGCUMWPMCWHJQ-LBPRGKRZSA-N 2 2 261.394 2.477 50 0 CEAALP Cc1[nH+]c2cc(C[NH2+][C@@H]3CCCOC3)ccc2n1C ZINC000584902562 345003944 /nfs/dbraw/zinc/00/39/44/345003944.db2.gz GNOJABBRUFOBMF-CYBMUJFWSA-N 2 2 259.353 2.150 50 0 CEAALP Nc1cc[nH+]c(N2CCC[C@@H](c3[nH+]ccn3CC3CC3)C2)n1 ZINC000095516369 136517665 /nfs/dbraw/zinc/51/76/65/136517665.db2.gz CBRMKQPIMRXQRI-CYBMUJFWSA-N 2 2 298.394 2.049 50 0 CEAALP Cc1cc(NCCc2cn3ccccc3[nH+]2)nc(N(C)C)[nH+]1 ZINC000065374031 362812128 /nfs/dbraw/zinc/81/21/28/362812128.db2.gz DAYUVYXABPAMDZ-UHFFFAOYSA-N 2 2 296.378 2.153 50 0 CEAALP Cc1cccn2c(C[NH2+][C@H](C)CCn3cccn3)c[nH+]c12 ZINC000065393546 362815117 /nfs/dbraw/zinc/81/51/17/362815117.db2.gz XPOURCUSADUOJO-CQSZACIVSA-N 2 2 283.379 2.408 50 0 CEAALP C[C@@H](C(=O)N(C)C)[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000069743791 362997203 /nfs/dbraw/zinc/99/72/03/362997203.db2.gz XSNBKUSCQQXHPM-JKSUJKDBSA-N 2 2 295.471 2.051 50 0 CEAALP C[C@@H](C(=O)N(C)C)[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000069743791 362997204 /nfs/dbraw/zinc/99/72/04/362997204.db2.gz XSNBKUSCQQXHPM-JKSUJKDBSA-N 2 2 295.471 2.051 50 0 CEAALP CCCCC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000076041282 363511057 /nfs/dbraw/zinc/51/10/57/363511057.db2.gz LMKCFGLWHZYPIN-UHFFFAOYSA-N 2 2 295.471 2.243 50 0 CEAALP C[NH+](C)CC(C)(C)C[N@H+](C)Cc1cc(C2CC2)n[nH]1 ZINC000216390506 538882914 /nfs/dbraw/zinc/88/29/14/538882914.db2.gz WOJJQKJXFLUTFK-UHFFFAOYSA-N 2 2 264.417 2.307 50 0 CEAALP C[NH+](C)CC(C)(C)C[N@@H+](C)Cc1cc(C2CC2)n[nH]1 ZINC000216390506 538882917 /nfs/dbraw/zinc/88/29/17/538882917.db2.gz WOJJQKJXFLUTFK-UHFFFAOYSA-N 2 2 264.417 2.307 50 0 CEAALP CCOc1ccccc1C[NH2+]CCCn1cc[nH+]c1 ZINC000003334177 361275071 /nfs/dbraw/zinc/27/50/71/361275071.db2.gz YCWSMAXQONOVIA-UHFFFAOYSA-N 2 2 259.353 2.462 50 0 CEAALP c1[nH]nc(-c2ccccc2)c1C[NH2+]CC[NH+]1CCCC1 ZINC000019362671 361527830 /nfs/dbraw/zinc/52/78/30/361527830.db2.gz LFJFFPAEZKDZKV-UHFFFAOYSA-N 2 2 270.380 2.262 50 0 CEAALP C[C@H]1C[NH+](C2CC[NH+](Cc3cccnc3)CC2)C[C@H](C)O1 ZINC000019939096 361568240 /nfs/dbraw/zinc/56/82/40/361568240.db2.gz AVZDUXAFQAAHDB-GJZGRUSLSA-N 2 2 289.423 2.155 50 0 CEAALP COc1cccc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)n1 ZINC000237360439 370714628 /nfs/dbraw/zinc/71/46/28/370714628.db2.gz CEIPBNUGOKFPRB-AWEZNQCLSA-N 2 2 298.390 2.419 50 0 CEAALP COc1cccc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)n1 ZINC000237360439 370714634 /nfs/dbraw/zinc/71/46/34/370714634.db2.gz CEIPBNUGOKFPRB-AWEZNQCLSA-N 2 2 298.390 2.419 50 0 CEAALP Cc1cccc(OC2CC[NH+](CCn3cc[nH+]c3)CC2)n1 ZINC000097082891 364442015 /nfs/dbraw/zinc/44/20/15/364442015.db2.gz MPMPJDAPBIFTAF-UHFFFAOYSA-N 2 2 286.379 2.130 50 0 CEAALP [NH3+]C[C@@H]1CCC[N@@H+]1Cc1ccn(Cc2ccccc2)c1 ZINC000097162656 364470011 /nfs/dbraw/zinc/47/00/11/364470011.db2.gz UCMZSQPAUZFRFI-KRWDZBQOSA-N 2 2 269.392 2.460 50 0 CEAALP [NH3+]C[C@@H]1CCC[N@H+]1Cc1ccn(Cc2ccccc2)c1 ZINC000097162656 364470016 /nfs/dbraw/zinc/47/00/16/364470016.db2.gz UCMZSQPAUZFRFI-KRWDZBQOSA-N 2 2 269.392 2.460 50 0 CEAALP CN(C)c1cc[nH+]cc1C[N@H+](C)C[C@H]1CCCCO1 ZINC000097138966 364461086 /nfs/dbraw/zinc/46/10/86/364461086.db2.gz BQULJJDFTNSDBT-CQSZACIVSA-N 2 2 263.385 2.149 50 0 CEAALP CN(C)c1cc[nH+]cc1C[N@@H+](C)C[C@H]1CCCCO1 ZINC000097138966 364461093 /nfs/dbraw/zinc/46/10/93/364461093.db2.gz BQULJJDFTNSDBT-CQSZACIVSA-N 2 2 263.385 2.149 50 0 CEAALP c1ccc(NC[C@@H]2CC[N@@H+](CCc3ccncc3)C2)[nH+]c1 ZINC000103473828 364657195 /nfs/dbraw/zinc/65/71/95/364657195.db2.gz QZZLVFWIWYRLLY-INIZCTEOSA-N 2 2 282.391 2.453 50 0 CEAALP c1ccc(NC[C@@H]2CC[N@H+](CCc3ccncc3)C2)[nH+]c1 ZINC000103473828 364657201 /nfs/dbraw/zinc/65/72/01/364657201.db2.gz QZZLVFWIWYRLLY-INIZCTEOSA-N 2 2 282.391 2.453 50 0 CEAALP CSc1ncc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cn1 ZINC000244764071 370798114 /nfs/dbraw/zinc/79/81/14/370798114.db2.gz PAXTWHFNOYDCKF-LBPRGKRZSA-N 2 2 289.408 2.301 50 0 CEAALP CSc1ncc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cn1 ZINC000244764071 370798117 /nfs/dbraw/zinc/79/81/17/370798117.db2.gz PAXTWHFNOYDCKF-LBPRGKRZSA-N 2 2 289.408 2.301 50 0 CEAALP CSc1ncc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cn1 ZINC000244764070 370798331 /nfs/dbraw/zinc/79/83/31/370798331.db2.gz PAXTWHFNOYDCKF-GFCCVEGCSA-N 2 2 289.408 2.301 50 0 CEAALP CSc1ncc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cn1 ZINC000244764070 370798335 /nfs/dbraw/zinc/79/83/35/370798335.db2.gz PAXTWHFNOYDCKF-GFCCVEGCSA-N 2 2 289.408 2.301 50 0 CEAALP Cc1cnccc1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000244872990 370801370 /nfs/dbraw/zinc/80/13/70/370801370.db2.gz WHZRSFZGHXJKHP-AWEZNQCLSA-N 2 2 256.353 2.493 50 0 CEAALP Cc1cnccc1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000244872990 370801374 /nfs/dbraw/zinc/80/13/74/370801374.db2.gz WHZRSFZGHXJKHP-AWEZNQCLSA-N 2 2 256.353 2.493 50 0 CEAALP COc1cccc(C[C@H]([NH3+])C(=O)Nc2ccc(C)[nH+]c2C)c1 ZINC000638076591 370283026 /nfs/dbraw/zinc/28/30/26/370283026.db2.gz ZDWIFTBXOCDTDB-HNNXBMFYSA-N 2 2 299.374 2.216 50 0 CEAALP CCc1nc(NCCCn2cc[nH+]c2C)cc(C)[nH+]1 ZINC000253415520 371517772 /nfs/dbraw/zinc/51/77/72/371517772.db2.gz PWWBPVIGFSGRGW-UHFFFAOYSA-N 2 2 259.357 2.355 50 0 CEAALP Cc1nc(N2CCC[N@H+](CC3CCC3)CC2)cc[nH+]1 ZINC000408523369 375509984 /nfs/dbraw/zinc/50/99/84/375509984.db2.gz JNOUPSAYWRMYKR-UHFFFAOYSA-N 2 2 260.385 2.097 50 0 CEAALP Cc1nc(N2CCC[N@@H+](CC3CCC3)CC2)cc[nH+]1 ZINC000408523369 375509989 /nfs/dbraw/zinc/50/99/89/375509989.db2.gz JNOUPSAYWRMYKR-UHFFFAOYSA-N 2 2 260.385 2.097 50 0 CEAALP c1nc2c([nH]1)C1(CC[NH+](Cc3ccccc3)CC1)[NH2+]CC2 ZINC000008733381 170351833 /nfs/dbraw/zinc/35/18/33/170351833.db2.gz UCTBQJYYYGUAGE-UHFFFAOYSA-N 2 2 282.391 2.047 50 0 CEAALP CC(C)Oc1ccc(C[NH2+]CCC[NH+]2CCOCC2)cc1 ZINC000037232274 173051709 /nfs/dbraw/zinc/05/17/09/173051709.db2.gz FDPWXKDTAWCLBJ-UHFFFAOYSA-N 2 2 292.423 2.286 50 0 CEAALP Clc1ccc(C[N@@H+]2CCCn3c[nH+]cc3C2)cn1 ZINC000072167326 176331564 /nfs/dbraw/zinc/33/15/64/176331564.db2.gz XAWQYOMTUOWFED-UHFFFAOYSA-N 2 2 262.744 2.337 50 0 CEAALP Clc1ccc(C[N@H+]2CCCn3c[nH+]cc3C2)cn1 ZINC000072167326 176331565 /nfs/dbraw/zinc/33/15/65/176331565.db2.gz XAWQYOMTUOWFED-UHFFFAOYSA-N 2 2 262.744 2.337 50 0 CEAALP Cc1ccc(C[N@@H+]2CCC[C@](O)(C[NH+]3CCCC3)C2)o1 ZINC000077388485 177262343 /nfs/dbraw/zinc/26/23/43/177262343.db2.gz VPFPZHKRRQNLRS-INIZCTEOSA-N 2 2 278.396 2.011 50 0 CEAALP Cc1ccc(C[N@H+]2CCC[C@](O)(C[NH+]3CCCC3)C2)o1 ZINC000077388485 177262345 /nfs/dbraw/zinc/26/23/45/177262345.db2.gz VPFPZHKRRQNLRS-INIZCTEOSA-N 2 2 278.396 2.011 50 0 CEAALP CC[N@@H+]1CCC[C@@](O)(C[NH+]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000226109807 279315543 /nfs/dbraw/zinc/31/55/43/279315543.db2.gz TYWJQZWQSUJJSI-OLZOCXBDSA-N 2 2 294.361 2.108 50 0 CEAALP CC[N@H+]1CCC[C@@](O)(C[NH+]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000226109807 279315544 /nfs/dbraw/zinc/31/55/44/279315544.db2.gz TYWJQZWQSUJJSI-OLZOCXBDSA-N 2 2 294.361 2.108 50 0 CEAALP CC[NH+]1CCC[C@@](O)(C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000226109807 279315545 /nfs/dbraw/zinc/31/55/45/279315545.db2.gz TYWJQZWQSUJJSI-OLZOCXBDSA-N 2 2 294.361 2.108 50 0 CEAALP CC[NH+]1CCC[C@@](O)(C[N@H+]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000226109807 279315546 /nfs/dbraw/zinc/31/55/46/279315546.db2.gz TYWJQZWQSUJJSI-OLZOCXBDSA-N 2 2 294.361 2.108 50 0 CEAALP C[NH+](C)C1(CNc2ncccc2Cl)CC[NH+](C)CC1 ZINC000823759378 810627654 /nfs/dbraw/zinc/62/76/54/810627654.db2.gz CQKCHXILBWEXHD-UHFFFAOYSA-N 2 2 282.819 2.173 50 0 CEAALP C[N@H+](CC[NH2+][C@H]1CCSC1)Cc1ccccc1 ZINC000095967410 185046307 /nfs/dbraw/zinc/04/63/07/185046307.db2.gz DVIIHMKJUCFOLM-AWEZNQCLSA-N 2 2 250.411 2.214 50 0 CEAALP C[N@@H+](CC[NH2+][C@H]1CCSC1)Cc1ccccc1 ZINC000095967410 185046308 /nfs/dbraw/zinc/04/63/08/185046308.db2.gz DVIIHMKJUCFOLM-AWEZNQCLSA-N 2 2 250.411 2.214 50 0 CEAALP C[C@@H]1C[NH2+]CCN1C(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000124857615 187158274 /nfs/dbraw/zinc/15/82/74/187158274.db2.gz LEBDBQGGILARHV-CYBMUJFWSA-N 2 2 297.358 2.308 50 0 CEAALP O[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000000279805 343349886 /nfs/dbraw/zinc/34/98/86/343349886.db2.gz JJGZIJKFINXDTR-KRWDZBQOSA-N 2 2 274.408 2.108 50 0 CEAALP O[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000000279805 343349889 /nfs/dbraw/zinc/34/98/89/343349889.db2.gz JJGZIJKFINXDTR-KRWDZBQOSA-N 2 2 274.408 2.108 50 0 CEAALP CCCCc1[nH]c(C[N@H+](C)C[C@H]2CCOC2)c[nH+]1 ZINC000584898759 345002319 /nfs/dbraw/zinc/00/23/19/345002319.db2.gz MXENMWHFQZGSNX-GFCCVEGCSA-N 2 2 251.374 2.221 50 0 CEAALP CCCCc1[nH]c(C[N@@H+](C)C[C@H]2CCOC2)c[nH+]1 ZINC000584898759 345002324 /nfs/dbraw/zinc/00/23/24/345002324.db2.gz MXENMWHFQZGSNX-GFCCVEGCSA-N 2 2 251.374 2.221 50 0 CEAALP Cc1cc[nH+]c(C[C@@H](C)N(C)c2cc(CC[NH3+])nc(C)n2)c1 ZINC000067981935 362934708 /nfs/dbraw/zinc/93/47/08/362934708.db2.gz KHYASQBDDCRSBA-CYBMUJFWSA-N 2 2 299.422 2.057 50 0 CEAALP Cc1nc(N(C)CCCc2[nH+]ccn2C)c(C)c(C)[nH+]1 ZINC000091416700 180149278 /nfs/dbraw/zinc/14/92/78/180149278.db2.gz MFDYXJXVNWYNOL-UHFFFAOYSA-N 2 2 273.384 2.204 50 0 CEAALP Cc1c[nH+]ccc1NCCNc1nc[nH+]c(C)c1C ZINC000091656944 180217936 /nfs/dbraw/zinc/21/79/36/180217936.db2.gz UMLBBFAQHMXLCX-UHFFFAOYSA-N 2 2 257.341 2.321 50 0 CEAALP Nc1cc(N[C@@H]2CCC[N@H+](CCc3ccccc3)C2)nc[nH+]1 ZINC000072421282 363134122 /nfs/dbraw/zinc/13/41/22/363134122.db2.gz ZTNKSCUCTBGMHC-OAHLLOKOSA-N 2 2 297.406 2.178 50 0 CEAALP Nc1cc(N[C@@H]2CCC[N@@H+](CCc3ccccc3)C2)nc[nH+]1 ZINC000072421282 363134126 /nfs/dbraw/zinc/13/41/26/363134126.db2.gz ZTNKSCUCTBGMHC-OAHLLOKOSA-N 2 2 297.406 2.178 50 0 CEAALP Cn1c(CCC[NH2+][C@H]2CCCOC2)[nH+]c2ccccc21 ZINC000181021256 189286710 /nfs/dbraw/zinc/28/67/10/189286710.db2.gz KNSZYSSBVRXSHG-ZDUSSCGKSA-N 2 2 273.380 2.275 50 0 CEAALP CCCOCC[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000082098027 363750375 /nfs/dbraw/zinc/75/03/75/363750375.db2.gz NOAITSDLGOQSOO-CYBMUJFWSA-N 2 2 251.374 2.026 50 0 CEAALP CCCOCC[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000082098027 363750378 /nfs/dbraw/zinc/75/03/78/363750378.db2.gz NOAITSDLGOQSOO-CYBMUJFWSA-N 2 2 251.374 2.026 50 0 CEAALP [NH3+]CC1([NH+]2CCN(c3ccccc3)CC2)CCCCC1 ZINC000019481423 361538383 /nfs/dbraw/zinc/53/83/83/361538383.db2.gz YJAXHYVCUASWLA-UHFFFAOYSA-N 2 2 273.424 2.470 50 0 CEAALP c1cn(CCC[NH2+][C@@H]2CCc3ccccc3C2)c[nH+]1 ZINC000023283369 361597210 /nfs/dbraw/zinc/59/72/10/361597210.db2.gz GOUVKSUTXNTGFP-MRXNPFEDSA-N 2 2 255.365 2.420 50 0 CEAALP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NCc1[nH]cc[nH+]1 ZINC000097142212 364463012 /nfs/dbraw/zinc/46/30/12/364463012.db2.gz BYEIDLIPFBAKLB-ZFWWWQNUSA-N 2 2 270.380 2.020 50 0 CEAALP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NCc1[nH]cc[nH+]1 ZINC000097142212 364463020 /nfs/dbraw/zinc/46/30/20/364463020.db2.gz BYEIDLIPFBAKLB-ZFWWWQNUSA-N 2 2 270.380 2.020 50 0 CEAALP Cc1n[nH]cc1C[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000097159350 364467059 /nfs/dbraw/zinc/46/70/59/364467059.db2.gz VEXWIHITBXIDMP-UHFFFAOYSA-N 2 2 281.363 2.253 50 0 CEAALP COc1ccnc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000244795610 370799259 /nfs/dbraw/zinc/79/92/59/370799259.db2.gz RJRNKIFRDVVTDJ-LBPRGKRZSA-N 2 2 272.352 2.193 50 0 CEAALP COc1ccnc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000244795610 370799261 /nfs/dbraw/zinc/79/92/61/370799261.db2.gz RJRNKIFRDVVTDJ-LBPRGKRZSA-N 2 2 272.352 2.193 50 0 CEAALP C[C@H]1C[C@@H]([NH2+]Cc2ccncc2Br)CC[N@@H+]1C ZINC000585118315 367180415 /nfs/dbraw/zinc/18/04/15/367180415.db2.gz KFZYPQDUWSEILO-JQWIXIFHSA-N 2 2 298.228 2.416 50 0 CEAALP C[C@H]1C[C@@H]([NH2+]Cc2ccncc2Br)CC[N@H+]1C ZINC000585118315 367180418 /nfs/dbraw/zinc/18/04/18/367180418.db2.gz KFZYPQDUWSEILO-JQWIXIFHSA-N 2 2 298.228 2.416 50 0 CEAALP CC(C)Cc1ccc(C[N@@H+]2CC[C@](O)(C[NH+](C)C)C2)s1 ZINC000215328644 370174442 /nfs/dbraw/zinc/17/44/42/370174442.db2.gz WLJHRBFTBTWTGH-INIZCTEOSA-N 2 2 296.480 2.445 50 0 CEAALP CC(C)Cc1ccc(C[N@H+]2CC[C@](O)(C[NH+](C)C)C2)s1 ZINC000215328644 370174447 /nfs/dbraw/zinc/17/44/47/370174447.db2.gz WLJHRBFTBTWTGH-INIZCTEOSA-N 2 2 296.480 2.445 50 0 CEAALP CCn1cc[nH+]c1CN(C)C[C@H]1Cc2ccccc2C[N@@H+]1C ZINC000215344558 370175186 /nfs/dbraw/zinc/17/51/86/370175186.db2.gz SXKPLSDCDQSWNN-QGZVFWFLSA-N 2 2 298.434 2.392 50 0 CEAALP CCn1cc[nH+]c1CN(C)C[C@H]1Cc2ccccc2C[N@H+]1C ZINC000215344558 370175190 /nfs/dbraw/zinc/17/51/90/370175190.db2.gz SXKPLSDCDQSWNN-QGZVFWFLSA-N 2 2 298.434 2.392 50 0 CEAALP Cc1[nH+]cn(Cc2ccc(-n3cc[nH+]c3)nc2)c1C ZINC000225445039 370295349 /nfs/dbraw/zinc/29/53/49/370295349.db2.gz WUXBNGHRWGKQIK-UHFFFAOYSA-N 2 2 253.309 2.129 50 0 CEAALP CC[NH+](CC)C[C@@H](O)C[NH2+]Cc1ccc(Cl)cc1 ZINC000007002697 170261529 /nfs/dbraw/zinc/26/15/29/170261529.db2.gz ZNYLDLDMVJFZIQ-AWEZNQCLSA-N 2 2 270.804 2.132 50 0 CEAALP Cc1cccc2[nH+]c(CN3CCC[C@H]([NH+](C)C)C3)cn21 ZINC000078642425 177364836 /nfs/dbraw/zinc/36/48/36/177364836.db2.gz SLFYTXDQTXWFAB-HNNXBMFYSA-N 2 2 272.396 2.169 50 0 CEAALP Cn1cc[nH+]c1CC[C@@H]1CCCC[N@@H+]1C[C@H]1CCCO1 ZINC000825641665 810721832 /nfs/dbraw/zinc/72/18/32/810721832.db2.gz LIVVTLMTTRTOQR-LSDHHAIUSA-N 2 2 277.412 2.386 50 0 CEAALP Cn1cc[nH+]c1CC[C@@H]1CCCC[N@H+]1C[C@H]1CCCO1 ZINC000825641665 810721838 /nfs/dbraw/zinc/72/18/38/810721838.db2.gz LIVVTLMTTRTOQR-LSDHHAIUSA-N 2 2 277.412 2.386 50 0 CEAALP c1ccc(CC[NH+]2CCC([NH+]3CCOCC3)CC2)cc1 ZINC000002464089 539288967 /nfs/dbraw/zinc/28/89/67/539288967.db2.gz USKBEPWNEMPIOI-UHFFFAOYSA-N 2 2 274.408 2.026 50 0 CEAALP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1cn2ccsc2n1 ZINC000095967475 344238056 /nfs/dbraw/zinc/23/80/56/344238056.db2.gz LBJAEHNNSHXXCE-NTZNESFSSA-N 2 2 278.425 2.214 50 0 CEAALP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1cn2ccsc2n1 ZINC000095967475 344238059 /nfs/dbraw/zinc/23/80/59/344238059.db2.gz LBJAEHNNSHXXCE-NTZNESFSSA-N 2 2 278.425 2.214 50 0 CEAALP CCNc1cc[nH+]c(NC[C@@H](c2cccc(C)c2)[NH+](C)C)n1 ZINC000584893521 345000906 /nfs/dbraw/zinc/00/09/06/345000906.db2.gz BWGSAAQCWCRUJN-HNNXBMFYSA-N 2 2 299.422 2.354 50 0 CEAALP Cc1[nH+]c(CN2CCC(C[NH+]3CCCC3)CC2)n(C)c1C ZINC000584898417 345002529 /nfs/dbraw/zinc/00/25/29/345002529.db2.gz UKBUTTUHLLPXKS-UHFFFAOYSA-N 2 2 290.455 2.345 50 0 CEAALP Cc1nc(C2(Cn3cc[nH+]c3)CC2)n(-c2cc[nH+]c(C)c2)n1 ZINC000065406557 362819143 /nfs/dbraw/zinc/81/91/43/362819143.db2.gz BRZDKIAMIYFZMA-UHFFFAOYSA-N 2 2 294.362 2.207 50 0 CEAALP CC[N@@H+]1CCC[C@@H](NCC2([NH+](C)C)CCCCC2)C1 ZINC000065530841 362831506 /nfs/dbraw/zinc/83/15/06/362831506.db2.gz WZJXXLGNDCGUET-OAHLLOKOSA-N 2 2 267.461 2.325 50 0 CEAALP CC[N@H+]1CCC[C@@H](NCC2([NH+](C)C)CCCCC2)C1 ZINC000065530841 362831512 /nfs/dbraw/zinc/83/15/12/362831512.db2.gz WZJXXLGNDCGUET-OAHLLOKOSA-N 2 2 267.461 2.325 50 0 CEAALP c1cn(CCCn2cc[nH+]c2)c(-c2ccncc2)n1 ZINC000067921348 362931945 /nfs/dbraw/zinc/93/19/45/362931945.db2.gz DJSXNJKTVWHGTQ-UHFFFAOYSA-N 2 2 253.309 2.232 50 0 CEAALP c1cn(CCCn2cc[nH+]c2-c2ccncc2)c[nH+]1 ZINC000067921348 362931951 /nfs/dbraw/zinc/93/19/51/362931951.db2.gz DJSXNJKTVWHGTQ-UHFFFAOYSA-N 2 2 253.309 2.232 50 0 CEAALP [NH3+][C@H](CO)c1ccc(-c2ccc(N3CCCC3)[nH+]c2)cc1 ZINC000629710023 351482696 /nfs/dbraw/zinc/48/26/96/351482696.db2.gz PXWPMEIZSVAYEK-MRXNPFEDSA-N 2 2 283.375 2.341 50 0 CEAALP CCOCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000309891514 540345233 /nfs/dbraw/zinc/34/52/33/540345233.db2.gz MNPAQKDQZAHTQG-GDBMZVCRSA-N 2 2 262.397 2.276 50 0 CEAALP CCOCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000309891514 540345234 /nfs/dbraw/zinc/34/52/34/540345234.db2.gz MNPAQKDQZAHTQG-GDBMZVCRSA-N 2 2 262.397 2.276 50 0 CEAALP C[NH+]1CCC([N@@H+]2CC[C@@]3(C2)CCC[NH+](CC2CC2)C3)CC1 ZINC000012703725 361396448 /nfs/dbraw/zinc/39/64/48/361396448.db2.gz LYIOJKAWXXCHMW-SFHVURJKSA-N 3 2 291.483 2.279 50 0 CEAALP C[NH+]1CCC([N@H+]2CC[C@@]3(C2)CCC[NH+](CC2CC2)C3)CC1 ZINC000012703725 361396449 /nfs/dbraw/zinc/39/64/49/361396449.db2.gz LYIOJKAWXXCHMW-SFHVURJKSA-N 3 2 291.483 2.279 50 0 CEAALP C[NH+]1CCC([NH+]2CC[C@@]3(C2)CCC[N@H+](CC2CC2)C3)CC1 ZINC000012703725 361396450 /nfs/dbraw/zinc/39/64/50/361396450.db2.gz LYIOJKAWXXCHMW-SFHVURJKSA-N 3 2 291.483 2.279 50 0 CEAALP C[NH+]1CCC([NH+]2CC[C@@]3(C2)CCC[N@@H+](CC2CC2)C3)CC1 ZINC000012703725 361396451 /nfs/dbraw/zinc/39/64/51/361396451.db2.gz LYIOJKAWXXCHMW-SFHVURJKSA-N 3 2 291.483 2.279 50 0 CEAALP Cc1ccccc1C[NH+]1CCC([NH2+]Cc2cncn2C)CC1 ZINC000237731261 370747674 /nfs/dbraw/zinc/74/76/74/370747674.db2.gz MXPNXNLDQCWBRC-UHFFFAOYSA-N 2 2 298.434 2.483 50 0 CEAALP Cc1cc(CNC(=O)CC[C@@H]2CCC[N@@H+](C)C2)cc(C)[nH+]1 ZINC000095366864 364347404 /nfs/dbraw/zinc/34/74/04/364347404.db2.gz ABFZNGWPMHZPTH-HNNXBMFYSA-N 2 2 289.423 2.437 50 0 CEAALP Cc1cc(CNC(=O)CC[C@@H]2CCC[N@H+](C)C2)cc(C)[nH+]1 ZINC000095366864 364347409 /nfs/dbraw/zinc/34/74/09/364347409.db2.gz ABFZNGWPMHZPTH-HNNXBMFYSA-N 2 2 289.423 2.437 50 0 CEAALP COc1ccnc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000244795609 370799866 /nfs/dbraw/zinc/79/98/66/370799866.db2.gz RJRNKIFRDVVTDJ-GFCCVEGCSA-N 2 2 272.352 2.193 50 0 CEAALP COc1ccnc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000244795609 370799869 /nfs/dbraw/zinc/79/98/69/370799869.db2.gz RJRNKIFRDVVTDJ-GFCCVEGCSA-N 2 2 272.352 2.193 50 0 CEAALP CC[N@@H+]1CC[C@H](C[NH+](C)Cc2nc3cc(F)ccc3[nH]2)C1 ZINC000244858589 370801054 /nfs/dbraw/zinc/80/10/54/370801054.db2.gz VNZBYOJNNFQDQJ-GFCCVEGCSA-N 2 2 290.386 2.476 50 0 CEAALP CC[N@H+]1CC[C@H](C[NH+](C)Cc2nc3cc(F)ccc3[nH]2)C1 ZINC000244858589 370801059 /nfs/dbraw/zinc/80/10/59/370801059.db2.gz VNZBYOJNNFQDQJ-GFCCVEGCSA-N 2 2 290.386 2.476 50 0 CEAALP CC[NH+]1CC[C@H](C[N@H+](C)Cc2nc3cc(F)ccc3[nH]2)C1 ZINC000244858589 370801060 /nfs/dbraw/zinc/80/10/60/370801060.db2.gz VNZBYOJNNFQDQJ-GFCCVEGCSA-N 2 2 290.386 2.476 50 0 CEAALP CC[NH+]1CC[C@H](C[N@@H+](C)Cc2nc3cc(F)ccc3[nH]2)C1 ZINC000244858589 370801067 /nfs/dbraw/zinc/80/10/67/370801067.db2.gz VNZBYOJNNFQDQJ-GFCCVEGCSA-N 2 2 290.386 2.476 50 0 CEAALP C[N@@H+]1CCC[C@@H]1C[NH2+]Cc1c[nH]nc1-c1ccccc1 ZINC000166401740 367323137 /nfs/dbraw/zinc/32/31/37/367323137.db2.gz SOGHHYXISASOKQ-OAHLLOKOSA-N 2 2 270.380 2.261 50 0 CEAALP C[N@H+]1CCC[C@@H]1C[NH2+]Cc1c[nH]nc1-c1ccccc1 ZINC000166401740 367323142 /nfs/dbraw/zinc/32/31/42/367323142.db2.gz SOGHHYXISASOKQ-OAHLLOKOSA-N 2 2 270.380 2.261 50 0 CEAALP Cc1ccc(CNc2cc(C3CC([NH3+])C3)[nH+]c(N)n2)cc1C ZINC000223623282 370268963 /nfs/dbraw/zinc/26/89/63/370268963.db2.gz FNNKBIGHEJKDOE-UHFFFAOYSA-N 2 2 297.406 2.492 50 0 CEAALP c1c[nH+]c(CC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)[nH]1 ZINC000317435326 376809439 /nfs/dbraw/zinc/80/94/39/376809439.db2.gz KYXDBBDMZNZEQX-UHFFFAOYSA-N 3 2 298.434 2.249 50 0 CEAALP CC(C)c1[nH+]c2c(n1C)CCN(c1[nH+]cnc3[nH]ccc31)C2 ZINC000069493338 394584426 /nfs/dbraw/zinc/58/44/26/394584426.db2.gz JXNXIDOHTNSJCO-UHFFFAOYSA-N 2 2 296.378 2.378 50 0 CEAALP COc1ccc(OC)c(C[NH2+]CCCn2cc[nH+]c2)c1 ZINC000020305136 171141678 /nfs/dbraw/zinc/14/16/78/171141678.db2.gz PQPKVDBPMOYHLL-UHFFFAOYSA-N 2 2 275.352 2.080 50 0 CEAALP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCc2ccccc2C1 ZINC000035275452 172094992 /nfs/dbraw/zinc/09/49/92/172094992.db2.gz AMLBEZXBEXIDOM-CJNGLKHVSA-N 2 2 255.365 2.419 50 0 CEAALP Cc1cc(N[C@H]2C[C@@H]([NH+]3CCOCC3)C2(C)C)nc(C)[nH+]1 ZINC000657208770 414803083 /nfs/dbraw/zinc/80/30/83/414803083.db2.gz ZZVMBDZBERLQKQ-UONOGXRCSA-N 2 2 290.411 2.005 50 0 CEAALP Cn1ccnc1C[NH+]1CCC(C[NH+]2CCCCC2)CC1 ZINC000077297782 177250225 /nfs/dbraw/zinc/25/02/25/177250225.db2.gz XDGRXWQJONRMGP-UHFFFAOYSA-N 2 2 276.428 2.118 50 0 CEAALP C[NH+]1CCC(c2nnc(C[NH+]3CCCC3)n2C2CC2)CC1 ZINC000077554663 177280882 /nfs/dbraw/zinc/28/08/82/177280882.db2.gz KUYBKEFREPYQKO-UHFFFAOYSA-N 2 2 289.427 2.018 50 0 CEAALP Cc1nc(N2CC([NH+]3CCCCC3)C2)c(C)c(C)[nH+]1 ZINC000091848805 281864595 /nfs/dbraw/zinc/86/45/95/281864595.db2.gz ZJCMMQGHHDTRDG-UHFFFAOYSA-N 2 2 260.385 2.076 50 0 CEAALP Cc1[nH+]ccn1CC[C@@H](C)[NH2+]CC1([NH+](C)C)CCCC1 ZINC000534591525 328318403 /nfs/dbraw/zinc/31/84/03/328318403.db2.gz WWWBPVSCUZOHGJ-CQSZACIVSA-N 3 2 278.444 2.434 50 0 CEAALP C[NH+]1CCC([NH+]2CCN(c3ccc(F)cc3)CC2)CC1 ZINC000003683477 627374464 /nfs/dbraw/zinc/37/44/64/627374464.db2.gz QSUYNJDZBPWOHC-UHFFFAOYSA-N 2 2 277.387 2.042 50 0 CEAALP C[NH+](CCC[N@@H+](C)CCc1ccncc1)Cc1ccncc1 ZINC000585115965 813679898 /nfs/dbraw/zinc/67/98/98/813679898.db2.gz BUILNELSKOYLNR-UHFFFAOYSA-N 2 2 298.434 2.473 50 0 CEAALP C[NH+](CCC[N@H+](C)CCc1ccncc1)Cc1ccncc1 ZINC000585115965 813679904 /nfs/dbraw/zinc/67/99/04/813679904.db2.gz BUILNELSKOYLNR-UHFFFAOYSA-N 2 2 298.434 2.473 50 0 CEAALP C[NH+](CCC[N@H+](C)Cc1ccncc1)CCc1ccncc1 ZINC000585115965 813679907 /nfs/dbraw/zinc/67/99/07/813679907.db2.gz BUILNELSKOYLNR-UHFFFAOYSA-N 2 2 298.434 2.473 50 0 CEAALP C[NH+](CCC[N@@H+](C)Cc1ccncc1)CCc1ccncc1 ZINC000585115965 813679912 /nfs/dbraw/zinc/67/99/12/813679912.db2.gz BUILNELSKOYLNR-UHFFFAOYSA-N 2 2 298.434 2.473 50 0 CEAALP C[C@H]1CC[N@H+](Cc2cscn2)C[C@@H]1n1cc[nH+]c1 ZINC000095981725 185053721 /nfs/dbraw/zinc/05/37/21/185053721.db2.gz DNZNJMSBHSWFGH-AAEUAGOBSA-N 2 2 262.382 2.423 50 0 CEAALP C[C@H]1CC[N@@H+](Cc2cscn2)C[C@@H]1n1cc[nH+]c1 ZINC000095981725 185053722 /nfs/dbraw/zinc/05/37/22/185053722.db2.gz DNZNJMSBHSWFGH-AAEUAGOBSA-N 2 2 262.382 2.423 50 0 CEAALP CC(C)OCC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000052003140 362459580 /nfs/dbraw/zinc/45/95/80/362459580.db2.gz KKKNZRVUGSZRAV-UHFFFAOYSA-N 2 2 254.418 2.362 50 0 CEAALP CCCn1nc(C[NH2+]CCC[NH2+]C)c(-c2ccccc2)n1 ZINC000057353488 362578973 /nfs/dbraw/zinc/57/89/73/362578973.db2.gz NVYKLTAIQANHCY-UHFFFAOYSA-N 2 2 287.411 2.054 50 0 CEAALP CC[N@@H+]1CCC[C@H]([NH2+]CCc2nc(C)c(C)s2)C1 ZINC000065453577 362824751 /nfs/dbraw/zinc/82/47/51/362824751.db2.gz WARMHSFAFOPFLV-ZDUSSCGKSA-N 2 2 267.442 2.376 50 0 CEAALP CC[N@H+]1CCC[C@H]([NH2+]CCc2nc(C)c(C)s2)C1 ZINC000065453577 362824755 /nfs/dbraw/zinc/82/47/55/362824755.db2.gz WARMHSFAFOPFLV-ZDUSSCGKSA-N 2 2 267.442 2.376 50 0 CEAALP C[C@@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)[C@H](C)CO1 ZINC000065611752 362841879 /nfs/dbraw/zinc/84/18/79/362841879.db2.gz BCYWIAHFGXEMCZ-ZIAGYGMSSA-N 2 2 271.364 2.482 50 0 CEAALP C[C@@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)[C@H](C)CO1 ZINC000065611752 362841882 /nfs/dbraw/zinc/84/18/82/362841882.db2.gz BCYWIAHFGXEMCZ-ZIAGYGMSSA-N 2 2 271.364 2.482 50 0 CEAALP c1ccc(N2CCC(CC[NH+]3CCOCC3)CC2)[nH+]c1 ZINC000071899490 363117769 /nfs/dbraw/zinc/11/77/69/363117769.db2.gz RFRVRGCIDQDERO-UHFFFAOYSA-N 2 2 275.396 2.020 50 0 CEAALP Cc1ccc(-c2ccnc(N3C[C@H]4CC[C@@H](C3)[NH2+]4)n2)c(C)[nH+]1 ZINC000071763000 363111908 /nfs/dbraw/zinc/11/19/08/363111908.db2.gz UFNMDUFDYVXQBB-OKILXGFUSA-N 2 2 295.390 2.096 50 0 CEAALP [NH3+][C@H]1CCCC[N@H+](Cc2cnc(-c3ccco3)nc2)C1 ZINC000082140429 363751905 /nfs/dbraw/zinc/75/19/05/363751905.db2.gz YVHXESVGULAGEM-ZDUSSCGKSA-N 2 2 272.352 2.050 50 0 CEAALP [NH3+][C@H]1CCCC[N@@H+](Cc2cnc(-c3ccco3)nc2)C1 ZINC000082140429 363751907 /nfs/dbraw/zinc/75/19/07/363751907.db2.gz YVHXESVGULAGEM-ZDUSSCGKSA-N 2 2 272.352 2.050 50 0 CEAALP COc1cc2c(cc1C[NH2+]C1CC[NH+](C)CC1)O[C@H](C)C2 ZINC000017314102 361508418 /nfs/dbraw/zinc/50/84/18/361508418.db2.gz GBQOAGDSFKKRGM-GFCCVEGCSA-N 2 2 290.407 2.202 50 0 CEAALP CCc1c[nH+]c(N)nc1N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000095354079 364343648 /nfs/dbraw/zinc/34/36/48/364343648.db2.gz CAKHKJDHQHRPBO-OAHLLOKOSA-N 2 2 297.406 2.308 50 0 CEAALP CCc1c[nH+]c(N)nc1N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000095354079 364343656 /nfs/dbraw/zinc/34/36/56/364343656.db2.gz CAKHKJDHQHRPBO-OAHLLOKOSA-N 2 2 297.406 2.308 50 0 CEAALP CC[NH+](CC)CCN1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000095446898 364383222 /nfs/dbraw/zinc/38/32/22/364383222.db2.gz WXTRSTLPQWLICZ-HNNXBMFYSA-N 2 2 276.428 2.157 50 0 CEAALP Cc1n[nH]cc1C[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000097159564 364466728 /nfs/dbraw/zinc/46/67/28/364466728.db2.gz ZQOWLDAARHBXBV-UHFFFAOYSA-N 2 2 281.363 2.253 50 0 CEAALP C[C@H](c1cccc(-c2cc(N)nc(N(C)C)[nH+]2)c1)[NH+](C)C ZINC000097570795 364510136 /nfs/dbraw/zinc/51/01/36/364510136.db2.gz CRXDBLXFZXTPOK-LLVKDONJSA-N 2 2 285.395 2.414 50 0 CEAALP C[C@@H]1CC[N@H+](CCc2ccccn2)C[C@H]1n1cc[nH+]c1 ZINC000241301048 370782076 /nfs/dbraw/zinc/78/20/76/370782076.db2.gz LPYCHHMQTNINJR-GDBMZVCRSA-N 2 2 270.380 2.404 50 0 CEAALP C[C@@H]1CC[N@@H+](CCc2ccccn2)C[C@H]1n1cc[nH+]c1 ZINC000241301048 370782079 /nfs/dbraw/zinc/78/20/79/370782079.db2.gz LPYCHHMQTNINJR-GDBMZVCRSA-N 2 2 270.380 2.404 50 0 CEAALP CCOC(=O)[C@@H](CC)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000173491632 367915287 /nfs/dbraw/zinc/91/52/87/367915287.db2.gz RDXRPOFFSFBJKW-LSDHHAIUSA-N 2 2 282.428 2.278 50 0 CEAALP CCOC(=O)[C@@H](CC)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000173491632 367915289 /nfs/dbraw/zinc/91/52/89/367915289.db2.gz RDXRPOFFSFBJKW-LSDHHAIUSA-N 2 2 282.428 2.278 50 0 CEAALP Fc1ccc([C@H]([NH2+]CCn2cc[nH+]c2)c2ncc[nH]2)cc1 ZINC000187694182 369205498 /nfs/dbraw/zinc/20/54/98/369205498.db2.gz QSAYJAOUXVYRBX-AWEZNQCLSA-N 2 2 285.326 2.125 50 0 CEAALP Cc1c[nH+]ccc1CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000358249995 370972011 /nfs/dbraw/zinc/97/20/11/370972011.db2.gz KRVUXSIRONEJNX-CVEARBPZSA-N 3 2 259.397 2.149 50 0 CEAALP Cc1c[nH+]ccc1CC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000358249995 370972015 /nfs/dbraw/zinc/97/20/15/370972015.db2.gz KRVUXSIRONEJNX-CVEARBPZSA-N 3 2 259.397 2.149 50 0 CEAALP C[NH+]1CCC([NH+]2CCN(Cc3ccc(Cl)o3)CC2)CC1 ZINC000215000097 370171657 /nfs/dbraw/zinc/17/16/57/370171657.db2.gz BLUOXJCYULTSSI-UHFFFAOYSA-N 2 2 297.830 2.145 50 0 CEAALP Cc1[nH+]c2ccccn2c1CN1C[C@H]2CC[C@@H]1C[N@H+](C)C2 ZINC000215950867 370182320 /nfs/dbraw/zinc/18/23/20/370182320.db2.gz AOPMAXVDSLZFRK-LSDHHAIUSA-N 2 2 284.407 2.169 50 0 CEAALP Cc1[nH+]c2ccccn2c1CN1C[C@H]2CC[C@@H]1C[N@@H+](C)C2 ZINC000215950867 370182321 /nfs/dbraw/zinc/18/23/21/370182321.db2.gz AOPMAXVDSLZFRK-LSDHHAIUSA-N 2 2 284.407 2.169 50 0 CEAALP CCn1cc[nH+]c1CN(C)CC[N@H+](C)C1CCCC1 ZINC000219717579 370226790 /nfs/dbraw/zinc/22/67/90/370226790.db2.gz MYNRQILQIPGLAZ-UHFFFAOYSA-N 2 2 264.417 2.209 50 0 CEAALP CCn1cc[nH+]c1CN(C)CC[N@@H+](C)C1CCCC1 ZINC000219717579 370226795 /nfs/dbraw/zinc/22/67/95/370226795.db2.gz MYNRQILQIPGLAZ-UHFFFAOYSA-N 2 2 264.417 2.209 50 0 CEAALP C[C@@H](C(=O)N(C)C)[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000229562643 370427305 /nfs/dbraw/zinc/42/73/05/370427305.db2.gz XSNBKUSCQQXHPM-HOTGVXAUSA-N 2 2 295.471 2.051 50 0 CEAALP C[C@@H](C(=O)N(C)C)[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000229562643 370427308 /nfs/dbraw/zinc/42/73/08/370427308.db2.gz XSNBKUSCQQXHPM-HOTGVXAUSA-N 2 2 295.471 2.051 50 0 CEAALP CC(C)COCC[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000252510509 371450730 /nfs/dbraw/zinc/45/07/30/371450730.db2.gz ZMJVHAVTEASSMI-AWEZNQCLSA-N 2 2 265.401 2.272 50 0 CEAALP CC(C)COCC[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000252510509 371450734 /nfs/dbraw/zinc/45/07/34/371450734.db2.gz ZMJVHAVTEASSMI-AWEZNQCLSA-N 2 2 265.401 2.272 50 0 CEAALP [NH3+][C@H]1CCN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000269215063 372381714 /nfs/dbraw/zinc/38/17/14/372381714.db2.gz QQXZOSVMNFTBPQ-ZDUSSCGKSA-N 2 2 283.331 2.047 50 0 CEAALP CC(C)Cn1c[nH+]cc1CN1CCC[C@@H]([NH+](C)C)CC1 ZINC000244715803 189910038 /nfs/dbraw/zinc/91/00/38/189910038.db2.gz LCPLJBKZLQWAJX-OAHLLOKOSA-N 2 2 278.444 2.455 50 0 CEAALP C[N@H+](Cc1cc2n(n1)CC[NH2+]C2)[C@@H]1CCCc2ccccc21 ZINC000215264595 394449467 /nfs/dbraw/zinc/44/94/67/394449467.db2.gz LAYDTRXJNIMMDH-GOSISDBHSA-N 2 2 296.418 2.496 50 0 CEAALP C[N@@H+](Cc1cc2n(n1)CC[NH2+]C2)[C@@H]1CCCc2ccccc21 ZINC000215264595 394449472 /nfs/dbraw/zinc/44/94/72/394449472.db2.gz LAYDTRXJNIMMDH-GOSISDBHSA-N 2 2 296.418 2.496 50 0 CEAALP C[C@@H](C1CC[NH+](Cc2cnc[nH]2)CC1)[NH+]1CCCC1 ZINC000072407938 176397894 /nfs/dbraw/zinc/39/78/94/176397894.db2.gz WDDJJGDXEQHWAF-ZDUSSCGKSA-N 2 2 262.401 2.106 50 0 CEAALP Cc1ccc2[nH]c(CCC[NH2+][C@H]3CCOC3)[nH+]c2c1C ZINC000534674463 328349160 /nfs/dbraw/zinc/34/91/60/328349160.db2.gz AVFPFJPZRYCEMJ-ZDUSSCGKSA-N 2 2 273.380 2.491 50 0 CEAALP Cc1ccc2[nH+]c(CCC[NH2+][C@H]3CCOC3)[nH]c2c1C ZINC000534674463 328349162 /nfs/dbraw/zinc/34/91/62/328349162.db2.gz AVFPFJPZRYCEMJ-ZDUSSCGKSA-N 2 2 273.380 2.491 50 0 CEAALP C[C@H]([NH2+]CCn1cc[nH+]c1)c1cccc(-n2cccn2)c1 ZINC000096491835 533876339 /nfs/dbraw/zinc/87/63/39/533876339.db2.gz PANWKBYIFJNJKH-AWEZNQCLSA-N 2 2 281.363 2.420 50 0 CEAALP O[C@H]1CCC[N@H+](CCCNc2[nH+]ccc3ccccc32)C1 ZINC000952971506 815085988 /nfs/dbraw/zinc/08/59/88/815085988.db2.gz UIRBTFUEZLSTOC-HNNXBMFYSA-N 2 2 285.391 2.494 50 0 CEAALP O[C@H]1CCC[N@@H+](CCCNc2[nH+]ccc3ccccc32)C1 ZINC000952971506 815085994 /nfs/dbraw/zinc/08/59/94/815085994.db2.gz UIRBTFUEZLSTOC-HNNXBMFYSA-N 2 2 285.391 2.494 50 0 CEAALP O[C@@H]1CCC[N@H+](CCCNc2[nH+]ccc3ccccc32)C1 ZINC000952971509 815086080 /nfs/dbraw/zinc/08/60/80/815086080.db2.gz UIRBTFUEZLSTOC-OAHLLOKOSA-N 2 2 285.391 2.494 50 0 CEAALP O[C@@H]1CCC[N@@H+](CCCNc2[nH+]ccc3ccccc32)C1 ZINC000952971509 815086086 /nfs/dbraw/zinc/08/60/86/815086086.db2.gz UIRBTFUEZLSTOC-OAHLLOKOSA-N 2 2 285.391 2.494 50 0 CEAALP Cc1cccc(N2CC[N@H+](Cc3ccccc3)C[C@H](O)C2)[nH+]1 ZINC000095518637 185002613 /nfs/dbraw/zinc/00/26/13/185002613.db2.gz UBXZQKNMBJYKNP-KRWDZBQOSA-N 2 2 297.402 2.073 50 0 CEAALP Cc1cccc(N2CC[N@@H+](Cc3ccccc3)C[C@H](O)C2)[nH+]1 ZINC000095518637 185002615 /nfs/dbraw/zinc/00/26/15/185002615.db2.gz UBXZQKNMBJYKNP-KRWDZBQOSA-N 2 2 297.402 2.073 50 0 CEAALP Cc1ccc(C[NH2+]CCC[NH+]2CCOCC2)cc1C ZINC000034990883 361802887 /nfs/dbraw/zinc/80/28/87/361802887.db2.gz ZTDXOMQAWOKHJS-UHFFFAOYSA-N 2 2 262.397 2.115 50 0 CEAALP Cc1n[nH]cc1C[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000038011301 361979463 /nfs/dbraw/zinc/97/94/63/361979463.db2.gz VWDPBNGXGOBOAZ-KRWDZBQOSA-N 2 2 284.407 2.472 50 0 CEAALP Cc1n[nH]cc1C[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000038011301 361979471 /nfs/dbraw/zinc/97/94/71/361979471.db2.gz VWDPBNGXGOBOAZ-KRWDZBQOSA-N 2 2 284.407 2.472 50 0 CEAALP CCn1cc(C[NH2+]CCc2cn3cccc(C)c3[nH+]2)cn1 ZINC000078975442 343968544 /nfs/dbraw/zinc/96/85/44/343968544.db2.gz XPSWYKGOYWJFSY-UHFFFAOYSA-N 2 2 283.379 2.191 50 0 CEAALP Oc1ccc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2)cc1 ZINC000170604386 344486403 /nfs/dbraw/zinc/48/64/03/344486403.db2.gz IKXJFDFHAQFZBY-AWEZNQCLSA-N 2 2 257.337 2.253 50 0 CEAALP Oc1ccc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2)cc1 ZINC000170604386 344486406 /nfs/dbraw/zinc/48/64/06/344486406.db2.gz IKXJFDFHAQFZBY-AWEZNQCLSA-N 2 2 257.337 2.253 50 0 CEAALP Oc1ccc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2)cc1 ZINC000170604385 344486465 /nfs/dbraw/zinc/48/64/65/344486465.db2.gz IKXJFDFHAQFZBY-CQSZACIVSA-N 2 2 257.337 2.253 50 0 CEAALP Oc1ccc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2)cc1 ZINC000170604385 344486467 /nfs/dbraw/zinc/48/64/67/344486467.db2.gz IKXJFDFHAQFZBY-CQSZACIVSA-N 2 2 257.337 2.253 50 0 CEAALP CCn1nccc1C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000184730096 344508928 /nfs/dbraw/zinc/50/89/28/344508928.db2.gz ZYHWKCBRZALYFY-AWEZNQCLSA-N 2 2 287.411 2.091 50 0 CEAALP CCn1nccc1C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000184730096 344508930 /nfs/dbraw/zinc/50/89/30/344508930.db2.gz ZYHWKCBRZALYFY-AWEZNQCLSA-N 2 2 287.411 2.091 50 0 CEAALP c1cnn([C@@H]2CCCC[C@H]2[NH2+]CCCn2cc[nH+]c2)c1 ZINC000128323959 187363424 /nfs/dbraw/zinc/36/34/24/187363424.db2.gz CXRHCWFNECHFQD-HUUCEWRRSA-N 2 2 273.384 2.243 50 0 CEAALP Cc1nc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)oc1C ZINC000095415795 136516868 /nfs/dbraw/zinc/51/68/68/136516868.db2.gz QMCFIDYFEXMRGL-UHFFFAOYSA-N 2 2 272.352 2.009 50 0 CEAALP CNc1cc[nH+]c(N[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000065469278 362824935 /nfs/dbraw/zinc/82/49/35/362824935.db2.gz UPYMEHSEZKWHSQ-AWEZNQCLSA-N 2 2 283.379 2.205 50 0 CEAALP CNc1cc[nH+]c(N[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000065469278 362824945 /nfs/dbraw/zinc/82/49/45/362824945.db2.gz UPYMEHSEZKWHSQ-AWEZNQCLSA-N 2 2 283.379 2.205 50 0 CEAALP Clc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)cn1 ZINC000067654209 362914839 /nfs/dbraw/zinc/91/48/39/362914839.db2.gz ZVXRGICBQNUHQV-CQSZACIVSA-N 2 2 265.788 2.311 50 0 CEAALP Clc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cn1 ZINC000067654209 362914843 /nfs/dbraw/zinc/91/48/43/362914843.db2.gz ZVXRGICBQNUHQV-CQSZACIVSA-N 2 2 265.788 2.311 50 0 CEAALP COc1ccc(OC)c(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000067817801 362927234 /nfs/dbraw/zinc/92/72/34/362927234.db2.gz SHHPPQDIOLIPDE-KRWDZBQOSA-N 2 2 290.407 2.279 50 0 CEAALP COc1ccc(OC)c(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000067817801 362927236 /nfs/dbraw/zinc/92/72/36/362927236.db2.gz SHHPPQDIOLIPDE-KRWDZBQOSA-N 2 2 290.407 2.279 50 0 CEAALP Nc1cc(N[C@H]2CCC[N@H+](CCc3ccccc3)C2)nc[nH+]1 ZINC000072421281 363134606 /nfs/dbraw/zinc/13/46/06/363134606.db2.gz ZTNKSCUCTBGMHC-HNNXBMFYSA-N 2 2 297.406 2.178 50 0 CEAALP Nc1cc(N[C@H]2CCC[N@@H+](CCc3ccccc3)C2)nc[nH+]1 ZINC000072421281 363134609 /nfs/dbraw/zinc/13/46/09/363134609.db2.gz ZTNKSCUCTBGMHC-HNNXBMFYSA-N 2 2 297.406 2.178 50 0 CEAALP C[C@@H]([NH3+])[C@H]1C[N@H+](CC(C)(C)c2ccccc2)CCO1 ZINC000097095741 296029467 /nfs/dbraw/zinc/02/94/67/296029467.db2.gz BLWQGQKGTXEYQR-UKRRQHHQSA-N 2 2 262.397 2.012 50 0 CEAALP C[C@@H]([NH3+])[C@H]1C[N@@H+](CC(C)(C)c2ccccc2)CCO1 ZINC000097095741 296029469 /nfs/dbraw/zinc/02/94/69/296029469.db2.gz BLWQGQKGTXEYQR-UKRRQHHQSA-N 2 2 262.397 2.012 50 0 CEAALP COc1ccc(C[NH2+]CCCn2cc[nH+]c2)c(OC)c1 ZINC000002510439 361236530 /nfs/dbraw/zinc/23/65/30/361236530.db2.gz PYBVPDCTVHLTPN-UHFFFAOYSA-N 2 2 275.352 2.080 50 0 CEAALP Fc1ccc(C[NH2+]CCn2cc[nH+]c2)c2ncccc12 ZINC000089807728 364005541 /nfs/dbraw/zinc/00/55/41/364005541.db2.gz YMIOHAKSBPARKI-UHFFFAOYSA-N 2 2 270.311 2.360 50 0 CEAALP C[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccc3F)CC2)C1 ZINC000095350602 364342853 /nfs/dbraw/zinc/34/28/53/364342853.db2.gz KASFEUCALWFDSS-HNNXBMFYSA-N 2 2 291.414 2.290 50 0 CEAALP C[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccc3F)CC2)C1 ZINC000095350602 364342863 /nfs/dbraw/zinc/34/28/63/364342863.db2.gz KASFEUCALWFDSS-HNNXBMFYSA-N 2 2 291.414 2.290 50 0 CEAALP Cc1cc(NCCCC[NH+]2C[C@@H](C)O[C@H](C)C2)nc[nH+]1 ZINC000095413835 364365669 /nfs/dbraw/zinc/36/56/69/364365669.db2.gz VUKCKHFVUNZBMO-ZIAGYGMSSA-N 2 2 278.400 2.086 50 0 CEAALP c1cnn(-c2ccc(CC[NH2+][C@H]3CC[N@@H+](C4CC4)C3)cc2)c1 ZINC000095419896 364368729 /nfs/dbraw/zinc/36/87/29/364368729.db2.gz XTIDGXJVIZFEOR-INIZCTEOSA-N 2 2 296.418 2.241 50 0 CEAALP c1cnn(-c2ccc(CC[NH2+][C@H]3CC[N@H+](C4CC4)C3)cc2)c1 ZINC000095419896 364368737 /nfs/dbraw/zinc/36/87/37/364368737.db2.gz XTIDGXJVIZFEOR-INIZCTEOSA-N 2 2 296.418 2.241 50 0 CEAALP CCc1c[nH+]c(N)nc1NCCCNc1ccc(C)c[nH+]1 ZINC000095362363 364346485 /nfs/dbraw/zinc/34/64/85/364346485.db2.gz WSEJKADPQGEZMT-UHFFFAOYSA-N 2 2 286.383 2.239 50 0 CEAALP C[C@H]1CCC[C@](CNCc2c[nH+]cn2C)([NH+](C)C)C1 ZINC000112342167 364794267 /nfs/dbraw/zinc/79/42/67/364794267.db2.gz DZOMWXXPSQZLQY-ZFWWWQNUSA-N 2 2 264.417 2.020 50 0 CEAALP Cc1c[nH+]c(-c2cccnc2)n1CC1CC[NH2+]CC1 ZINC000169676759 367370055 /nfs/dbraw/zinc/37/00/55/367370055.db2.gz XPUWANYLSJNQGI-UHFFFAOYSA-N 2 2 256.353 2.253 50 0 CEAALP CC[C@H](c1ccccn1)[N@H+](C)Cc1cc2n(n1)CCC[NH2+]C2 ZINC000215428526 370177128 /nfs/dbraw/zinc/17/71/28/370177128.db2.gz HPXAORBXGVWLCV-QGZVFWFLSA-N 2 2 299.422 2.355 50 0 CEAALP CC[C@H](c1ccccn1)[N@@H+](C)Cc1cc2n(n1)CCC[NH2+]C2 ZINC000215428526 370177133 /nfs/dbraw/zinc/17/71/33/370177133.db2.gz HPXAORBXGVWLCV-QGZVFWFLSA-N 2 2 299.422 2.355 50 0 CEAALP Cn1c([NH2+]Nc2[nH+]cnc3ccccc32)csc1=S ZINC000254761001 371538718 /nfs/dbraw/zinc/53/87/18/371538718.db2.gz NZNWLUWJAQDJEU-UHFFFAOYSA-N 2 2 289.389 2.319 50 0 CEAALP Cc1cc[nH+]c(N2CCC([N@H+]3CCO[C@@H](C)C3)CC2)c1 ZINC000091453750 135070436 /nfs/dbraw/zinc/07/04/36/135070436.db2.gz PWLCQVUUUPCZKC-AWEZNQCLSA-N 2 2 275.396 2.080 50 0 CEAALP Cc1cc[nH+]c(N2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)c1 ZINC000091453750 135070438 /nfs/dbraw/zinc/07/04/38/135070438.db2.gz PWLCQVUUUPCZKC-AWEZNQCLSA-N 2 2 275.396 2.080 50 0 CEAALP Cc1cc2ccccc2c(N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)[nH+]1 ZINC000108381339 394730474 /nfs/dbraw/zinc/73/04/74/394730474.db2.gz XVVPNCUHPAFWMZ-GJZGRUSLSA-N 2 2 299.418 2.435 50 0 CEAALP Cc1cc2ccccc2c(N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)[nH+]1 ZINC000108381339 394730476 /nfs/dbraw/zinc/73/04/76/394730476.db2.gz XVVPNCUHPAFWMZ-GJZGRUSLSA-N 2 2 299.418 2.435 50 0 CEAALP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(Br)cn1 ZINC000133628213 394954615 /nfs/dbraw/zinc/95/46/15/394954615.db2.gz WGTRQADCVLBIBB-UWVGGRQHSA-N 2 2 284.201 2.013 50 0 CEAALP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(Br)cn1 ZINC000133628213 394954618 /nfs/dbraw/zinc/95/46/18/394954618.db2.gz WGTRQADCVLBIBB-UWVGGRQHSA-N 2 2 284.201 2.013 50 0 CEAALP O[C@H](C[NH2+]Cc1ccccc1Cl)C[NH+]1CCCCC1 ZINC000048314615 400193151 /nfs/dbraw/zinc/19/31/51/400193151.db2.gz OMMPEYFLWGIFOK-CQSZACIVSA-N 2 2 282.815 2.276 50 0 CEAALP CCOc1cc(C[NH+]2CCC([NH3+])CC2)ccc1F ZINC000040449754 174265805 /nfs/dbraw/zinc/26/58/05/174265805.db2.gz ZUAUYVBBXGJYME-UHFFFAOYSA-N 2 2 252.333 2.148 50 0 CEAALP CS[C@H]1CCC[C@@H]1[N@H+](C)CCCn1cc[nH+]c1 ZINC000096493084 534093744 /nfs/dbraw/zinc/09/37/44/534093744.db2.gz PISAEYPAHKZEIZ-STQMWFEESA-N 2 2 253.415 2.489 50 0 CEAALP CS[C@H]1CCC[C@@H]1[N@@H+](C)CCCn1cc[nH+]c1 ZINC000096493084 534093747 /nfs/dbraw/zinc/09/37/47/534093747.db2.gz PISAEYPAHKZEIZ-STQMWFEESA-N 2 2 253.415 2.489 50 0 CEAALP Cc1[nH+]c(CNCC2([NH+](C)C)CCCCC2)n(C)c1C ZINC000952982254 815092467 /nfs/dbraw/zinc/09/24/67/815092467.db2.gz QXHNYYBGKGGVIT-UHFFFAOYSA-N 2 2 278.444 2.391 50 0 CEAALP Cc1[nH+]ccn1CC[C@@H](C)[N@@H+]1CCc2nocc2C1 ZINC000821758636 810572014 /nfs/dbraw/zinc/57/20/14/810572014.db2.gz UCIOOPMCMAAHPC-LLVKDONJSA-N 2 2 260.341 2.016 50 0 CEAALP Cc1[nH+]ccn1CC[C@@H](C)[N@H+]1CCc2nocc2C1 ZINC000821758636 810572017 /nfs/dbraw/zinc/57/20/17/810572017.db2.gz UCIOOPMCMAAHPC-LLVKDONJSA-N 2 2 260.341 2.016 50 0 CEAALP Cc1cn2c(C[NH2+]C3CC[NH+](C)CC3)c(C)nc2s1 ZINC000036822558 343424483 /nfs/dbraw/zinc/42/44/83/343424483.db2.gz KTSUOAHAYCKROJ-UHFFFAOYSA-N 2 2 278.425 2.196 50 0 CEAALP CNc1cc[nH+]c(N(C)CCc2[nH]c3c(cccc3C)[nH+]2)n1 ZINC000067643073 362914633 /nfs/dbraw/zinc/91/46/33/362914633.db2.gz HBCFSJZPPGPYIK-UHFFFAOYSA-N 2 2 296.378 2.382 50 0 CEAALP [NH3+][C@H](C(=O)Nc1c[nH+]c2n1CCCC2)C1CCCCC1 ZINC000067726610 362921718 /nfs/dbraw/zinc/92/17/18/362921718.db2.gz OCSVGCQXWFLQBL-AWEZNQCLSA-N 2 2 276.384 2.066 50 0 CEAALP COc1ccccc1OC1CC[NH+]([C@H]2CCC[NH2+]C2)CC1 ZINC000067713581 362919917 /nfs/dbraw/zinc/91/99/17/362919917.db2.gz AILZTIXEJHXPRN-AWEZNQCLSA-N 2 2 290.407 2.290 50 0 CEAALP C[C@H]1C[N@H+](CC2CCCC2)CCN1Cc1[nH+]ccn1C ZINC000069458026 362971251 /nfs/dbraw/zinc/97/12/51/362971251.db2.gz BYIQMWFBOAIRIK-AWEZNQCLSA-N 2 2 276.428 2.116 50 0 CEAALP C[C@H]1C[N@@H+](CC2CCCC2)CCN1Cc1[nH+]ccn1C ZINC000069458026 362971253 /nfs/dbraw/zinc/97/12/53/362971253.db2.gz BYIQMWFBOAIRIK-AWEZNQCLSA-N 2 2 276.428 2.116 50 0 CEAALP Nc1cc[nH+]c(N[C@H]2CCC[N@H+](CCc3ccccc3)C2)n1 ZINC000072420142 363134634 /nfs/dbraw/zinc/13/46/34/363134634.db2.gz VSEALYZHHYQYIG-HNNXBMFYSA-N 2 2 297.406 2.178 50 0 CEAALP Nc1cc[nH+]c(N[C@H]2CCC[N@@H+](CCc3ccccc3)C2)n1 ZINC000072420142 363134636 /nfs/dbraw/zinc/13/46/36/363134636.db2.gz VSEALYZHHYQYIG-HNNXBMFYSA-N 2 2 297.406 2.178 50 0 CEAALP CCOCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000309891516 540345303 /nfs/dbraw/zinc/34/53/03/540345303.db2.gz MNPAQKDQZAHTQG-HOCLYGCPSA-N 2 2 262.397 2.276 50 0 CEAALP CCOCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000309891516 540345306 /nfs/dbraw/zinc/34/53/06/540345306.db2.gz MNPAQKDQZAHTQG-HOCLYGCPSA-N 2 2 262.397 2.276 50 0 CEAALP c1cc(C[NH2+]C2CCC([NH+]3CCCCC3)CC2)[nH]n1 ZINC000080347786 363658842 /nfs/dbraw/zinc/65/88/42/363658842.db2.gz HCQLCZFDXDBKOF-UHFFFAOYSA-N 2 2 262.401 2.296 50 0 CEAALP OCC[NH2+]CC[NH2+]Cc1ccc(-c2ccccc2)cc1 ZINC000019370617 361530162 /nfs/dbraw/zinc/53/01/62/361530162.db2.gz KQHVPQPDJJPAAU-UHFFFAOYSA-N 2 2 270.376 2.025 50 0 CEAALP Clc1c[nH+]ccc1NC[C@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000090145215 364041726 /nfs/dbraw/zinc/04/17/26/364041726.db2.gz MWFKWCPJOVYGPL-NEPJUHHUSA-N 2 2 281.787 2.400 50 0 CEAALP Clc1c[nH+]ccc1NC[C@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000090145215 364041733 /nfs/dbraw/zinc/04/17/33/364041733.db2.gz MWFKWCPJOVYGPL-NEPJUHHUSA-N 2 2 281.787 2.400 50 0 CEAALP Cc1cccc(C[NH+]2CCC([NH2+]Cc3cncn3C)CC2)c1 ZINC000237626695 370739124 /nfs/dbraw/zinc/73/91/24/370739124.db2.gz XHZPPGXNFVDXID-UHFFFAOYSA-N 2 2 298.434 2.483 50 0 CEAALP Cc1nc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c(C)c(C)[nH+]1 ZINC000095416560 364367097 /nfs/dbraw/zinc/36/70/97/364367097.db2.gz USFDULYGHHGDOB-KGLIPLIRSA-N 2 2 260.385 2.075 50 0 CEAALP Cc1nc(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)c(C)c(C)[nH+]1 ZINC000095416560 364367103 /nfs/dbraw/zinc/36/71/03/364367103.db2.gz USFDULYGHHGDOB-KGLIPLIRSA-N 2 2 260.385 2.075 50 0 CEAALP CC1(C)C[C@H]([NH2+][C@@H]2CC[N@H+](CC3CC3)C2)C(C)(C)O1 ZINC000095422201 364369952 /nfs/dbraw/zinc/36/99/52/364369952.db2.gz MFEYQFQKRLINOW-KGLIPLIRSA-N 2 2 266.429 2.406 50 0 CEAALP CC1(C)C[C@H]([NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)C(C)(C)O1 ZINC000095422201 364369954 /nfs/dbraw/zinc/36/99/54/364369954.db2.gz MFEYQFQKRLINOW-KGLIPLIRSA-N 2 2 266.429 2.406 50 0 CEAALP CCc1cc(NC[C@@H]2C[N@H+](CC(C)C)CCO2)nc(C)[nH+]1 ZINC000180422205 368381343 /nfs/dbraw/zinc/38/13/43/368381343.db2.gz OYKNYWLBZMMBCZ-OAHLLOKOSA-N 2 2 292.427 2.116 50 0 CEAALP CCc1cc(NC[C@@H]2C[N@@H+](CC(C)C)CCO2)nc(C)[nH+]1 ZINC000180422205 368381350 /nfs/dbraw/zinc/38/13/50/368381350.db2.gz OYKNYWLBZMMBCZ-OAHLLOKOSA-N 2 2 292.427 2.116 50 0 CEAALP c1cn(CCCN2CCC[N@@H+](C3CCCC3)CC2)c[nH+]1 ZINC000182792353 368591895 /nfs/dbraw/zinc/59/18/95/368591895.db2.gz PICDMTMJUCEHKV-UHFFFAOYSA-N 2 2 276.428 2.224 50 0 CEAALP c1cn(CCCN2CCC[N@H+](C3CCCC3)CC2)c[nH+]1 ZINC000182792353 368591900 /nfs/dbraw/zinc/59/19/00/368591900.db2.gz PICDMTMJUCEHKV-UHFFFAOYSA-N 2 2 276.428 2.224 50 0 CEAALP COC[C@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000215252575 370175114 /nfs/dbraw/zinc/17/51/14/370175114.db2.gz ZZVGVFUVFMUYTN-HNNXBMFYSA-N 2 2 271.364 2.341 50 0 CEAALP COC[C@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000215252575 370175119 /nfs/dbraw/zinc/17/51/19/370175119.db2.gz ZZVGVFUVFMUYTN-HNNXBMFYSA-N 2 2 271.364 2.341 50 0 CEAALP CSCC[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195282819 370122518 /nfs/dbraw/zinc/12/25/18/370122518.db2.gz SSRRDVYHIAMMJF-HNNXBMFYSA-N 2 2 279.453 2.198 50 0 CEAALP CSCC[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195282819 370122524 /nfs/dbraw/zinc/12/25/24/370122524.db2.gz SSRRDVYHIAMMJF-HNNXBMFYSA-N 2 2 279.453 2.198 50 0 CEAALP CSCC[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195282819 370122528 /nfs/dbraw/zinc/12/25/28/370122528.db2.gz SSRRDVYHIAMMJF-HNNXBMFYSA-N 2 2 279.453 2.198 50 0 CEAALP CSCC[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195282819 370122530 /nfs/dbraw/zinc/12/25/30/370122530.db2.gz SSRRDVYHIAMMJF-HNNXBMFYSA-N 2 2 279.453 2.198 50 0 CEAALP CC(C)[NH+]1CCC([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000250510940 371385323 /nfs/dbraw/zinc/38/53/23/371385323.db2.gz OVKHQJWGMBCAQB-HOTGVXAUSA-N 3 2 265.445 2.076 50 0 CEAALP CC(C)[NH+]1CCC([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000250510940 371385325 /nfs/dbraw/zinc/38/53/25/371385325.db2.gz OVKHQJWGMBCAQB-HOTGVXAUSA-N 3 2 265.445 2.076 50 0 CEAALP COc1ccc(C[NH2+]CCC[NH+]2CCOCC2)cc1Cl ZINC000020967710 171282445 /nfs/dbraw/zinc/28/24/45/171282445.db2.gz XGZIAGLWPHQZID-UHFFFAOYSA-N 2 2 298.814 2.161 50 0 CEAALP Cc1cc(C)n(-c2ccccc2C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]32)n1 ZINC000077540458 177279007 /nfs/dbraw/zinc/27/90/07/177279007.db2.gz RVKHKTCETGUGIW-MAUKXSAKSA-N 2 2 296.418 2.283 50 0 CEAALP Cc1cc(C)n(-c2ccccc2C[N@H+]2CC[C@H]3C[NH2+]C[C@H]32)n1 ZINC000077540458 177279008 /nfs/dbraw/zinc/27/90/08/177279008.db2.gz RVKHKTCETGUGIW-MAUKXSAKSA-N 2 2 296.418 2.283 50 0 CEAALP CC[N@H+](C)C1(CN[C@H](C)Cn2cc[nH+]c2C)CCCC1 ZINC000534636279 328333751 /nfs/dbraw/zinc/33/37/51/328333751.db2.gz GXNXDCBUBDGZRT-CQSZACIVSA-N 2 2 278.444 2.434 50 0 CEAALP CC[N@@H+](C)C1(CN[C@H](C)Cn2cc[nH+]c2C)CCCC1 ZINC000534636279 328333752 /nfs/dbraw/zinc/33/37/52/328333752.db2.gz GXNXDCBUBDGZRT-CQSZACIVSA-N 2 2 278.444 2.434 50 0 CEAALP COCC[N@@H+]1CC[C@@H](C[NH+](C)Cc2ccc(Cl)o2)C1 ZINC000824412331 810700577 /nfs/dbraw/zinc/70/05/77/810700577.db2.gz FPPIJBGPDLKVBI-LBPRGKRZSA-N 2 2 286.803 2.333 50 0 CEAALP COCC[N@H+]1CC[C@@H](C[NH+](C)Cc2ccc(Cl)o2)C1 ZINC000824412331 810700584 /nfs/dbraw/zinc/70/05/84/810700584.db2.gz FPPIJBGPDLKVBI-LBPRGKRZSA-N 2 2 286.803 2.333 50 0 CEAALP COCC[NH+]1CC[C@@H](C[N@H+](C)Cc2ccc(Cl)o2)C1 ZINC000824412331 810700589 /nfs/dbraw/zinc/70/05/89/810700589.db2.gz FPPIJBGPDLKVBI-LBPRGKRZSA-N 2 2 286.803 2.333 50 0 CEAALP COCC[NH+]1CC[C@@H](C[N@@H+](C)Cc2ccc(Cl)o2)C1 ZINC000824412331 810700596 /nfs/dbraw/zinc/70/05/96/810700596.db2.gz FPPIJBGPDLKVBI-LBPRGKRZSA-N 2 2 286.803 2.333 50 0 CEAALP C[N@H+](CCCn1cc[nH+]c1)Cc1nc2c(cccc2F)[nH]1 ZINC000095984078 185054899 /nfs/dbraw/zinc/05/48/99/185054899.db2.gz SCWFDVOHHITENH-UHFFFAOYSA-N 2 2 287.342 2.421 50 0 CEAALP C[N@@H+](CCCn1cc[nH+]c1)Cc1nc2c(cccc2F)[nH]1 ZINC000095984078 185054900 /nfs/dbraw/zinc/05/49/00/185054900.db2.gz SCWFDVOHHITENH-UHFFFAOYSA-N 2 2 287.342 2.421 50 0 CEAALP Clc1ccc(N2CC[NH+](C3CC[NH2+]CC3)CC2)cc1 ZINC000043501200 362145278 /nfs/dbraw/zinc/14/52/78/362145278.db2.gz FUCZOJDVIVCBFI-UHFFFAOYSA-N 2 2 279.815 2.214 50 0 CEAALP Cc1ccc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2)nc1 ZINC000170603123 344486055 /nfs/dbraw/zinc/48/60/55/344486055.db2.gz BBPRJBFQORTKIZ-HNNXBMFYSA-N 2 2 256.353 2.251 50 0 CEAALP Cc1ccc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2)nc1 ZINC000170603123 344486056 /nfs/dbraw/zinc/48/60/56/344486056.db2.gz BBPRJBFQORTKIZ-HNNXBMFYSA-N 2 2 256.353 2.251 50 0 CEAALP Cc1cc(CNC(=O)CCC[NH+]2CCCC2)c[nH+]c1C ZINC000584890887 344999398 /nfs/dbraw/zinc/99/93/98/344999398.db2.gz GDUJPXIVTPOBGA-UHFFFAOYSA-N 2 2 275.396 2.191 50 0 CEAALP Cc1cccc2[nH+]c(CC[NH2+][C@@H]3CCCOC3)[nH]c21 ZINC000584902482 345003857 /nfs/dbraw/zinc/00/38/57/345003857.db2.gz MHFCEOITNXCDJE-GFCCVEGCSA-N 2 2 259.353 2.182 50 0 CEAALP CSc1ccc(C[N@H+](CCO)Cc2[nH]c[nH+]c2C)cc1 ZINC000055281127 362547014 /nfs/dbraw/zinc/54/70/14/362547014.db2.gz QLLPLLHTGMDFEY-UHFFFAOYSA-N 2 2 291.420 2.435 50 0 CEAALP CSc1ccc(C[N@@H+](CCO)Cc2[nH]c[nH+]c2C)cc1 ZINC000055281127 362547016 /nfs/dbraw/zinc/54/70/16/362547016.db2.gz QLLPLLHTGMDFEY-UHFFFAOYSA-N 2 2 291.420 2.435 50 0 CEAALP O=C(CC[NH+]1CCCCCCC1)NCCCn1cc[nH+]c1 ZINC000055392836 362550533 /nfs/dbraw/zinc/55/05/33/362550533.db2.gz SYGFIGGWDZQTTQ-UHFFFAOYSA-N 2 2 292.427 2.046 50 0 CEAALP Cc1[nH+]c(N(C)C)nc(NCc2c[nH+]c3ccccn23)c1C ZINC000065403629 362819092 /nfs/dbraw/zinc/81/90/92/362819092.db2.gz RPYMHOZGAIQDHM-UHFFFAOYSA-N 2 2 296.378 2.419 50 0 CEAALP Cc1cc(N2CC[NH2+][C@@H](C)C2)nc(-c2ccccc2)[nH+]1 ZINC000065383311 362814452 /nfs/dbraw/zinc/81/44/52/362814452.db2.gz BCCGWKVSHCGIQT-ZDUSSCGKSA-N 2 2 268.364 2.250 50 0 CEAALP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1nncn1C1CCCCC1 ZINC000067725642 362921315 /nfs/dbraw/zinc/92/13/15/362921315.db2.gz SIRWTOZVTIXURD-ZDUSSCGKSA-N 2 2 288.399 2.158 50 0 CEAALP c1c[nH+]c(-c2ccccc2OCCn2cc[nH+]c2)[nH]1 ZINC000067909848 362931844 /nfs/dbraw/zinc/93/18/44/362931844.db2.gz VJZWDKQUFZRRHW-UHFFFAOYSA-N 2 2 254.293 2.352 50 0 CEAALP CC[NH+](CC)C1CC[NH+](CCc2ccncc2)CC1 ZINC000069508434 362974277 /nfs/dbraw/zinc/97/42/77/362974277.db2.gz HJLMFDBHBNRGCT-UHFFFAOYSA-N 2 2 261.413 2.430 50 0 CEAALP c1c[nH+]c(CC[N@@H+]2CCO[C@@H](c3ccccc3)C2)[nH]1 ZINC000670467199 540424910 /nfs/dbraw/zinc/42/49/10/540424910.db2.gz DLCRJRMTUGMIOM-CQSZACIVSA-N 2 2 257.337 2.026 50 0 CEAALP c1c[nH+]c(CC[N@H+]2CCO[C@@H](c3ccccc3)C2)[nH]1 ZINC000670467199 540424913 /nfs/dbraw/zinc/42/49/13/540424913.db2.gz DLCRJRMTUGMIOM-CQSZACIVSA-N 2 2 257.337 2.026 50 0 CEAALP CC(=O)Nc1ccc(C[NH2+][C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000030909781 361705939 /nfs/dbraw/zinc/70/59/39/361705939.db2.gz BRVVKAXSAOVUIX-LBPRGKRZSA-N 2 2 272.352 2.020 50 0 CEAALP CC(C)Cc1ccc(C[NH2+]C[C@@H]2C[N@H+](C)CCN2C)cc1 ZINC000088296670 363888188 /nfs/dbraw/zinc/88/81/88/363888188.db2.gz WUMPGCLNVCIRGN-GOSISDBHSA-N 2 2 289.467 2.221 50 0 CEAALP CC(C)Cc1ccc(C[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)cc1 ZINC000088296670 363888192 /nfs/dbraw/zinc/88/81/92/363888192.db2.gz WUMPGCLNVCIRGN-GOSISDBHSA-N 2 2 289.467 2.221 50 0 CEAALP C[C@@H](Cc1ccc2c(c1)OCO2)C[N@@H+]1CCc2[nH+]c[nH]c2C1 ZINC000095369151 364348315 /nfs/dbraw/zinc/34/83/15/364348315.db2.gz MQQXOWYETQDZDB-LBPRGKRZSA-N 2 2 299.374 2.375 50 0 CEAALP C[C@@H](Cc1ccc2c(c1)OCO2)C[N@H+]1CCc2[nH+]c[nH]c2C1 ZINC000095369151 364348317 /nfs/dbraw/zinc/34/83/17/364348317.db2.gz MQQXOWYETQDZDB-LBPRGKRZSA-N 2 2 299.374 2.375 50 0 CEAALP CC(C)C(=O)N[C@@H]1CCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000097103375 364450925 /nfs/dbraw/zinc/45/09/25/364450925.db2.gz LVNUZGTZUWZONR-MRXNPFEDSA-N 2 2 295.471 2.099 50 0 CEAALP CC(C)C(=O)N[C@@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000097103375 364450933 /nfs/dbraw/zinc/45/09/33/364450933.db2.gz LVNUZGTZUWZONR-MRXNPFEDSA-N 2 2 295.471 2.099 50 0 CEAALP Cn1cc[nH+]c1CCC[N@H+](C)Cc1nc2ccccc2[nH]1 ZINC000097155726 364468132 /nfs/dbraw/zinc/46/81/32/364468132.db2.gz LWRURLOPYKAPRZ-UHFFFAOYSA-N 2 2 283.379 2.361 50 0 CEAALP Cn1cc[nH+]c1CCC[N@@H+](C)Cc1nc2ccccc2[nH]1 ZINC000097155726 364468137 /nfs/dbraw/zinc/46/81/37/364468137.db2.gz LWRURLOPYKAPRZ-UHFFFAOYSA-N 2 2 283.379 2.361 50 0 CEAALP [NH3+]C[C@H]1CCC[N@@H+]1Cc1ccn(Cc2ccccc2)c1 ZINC000097162655 364470143 /nfs/dbraw/zinc/47/01/43/364470143.db2.gz UCMZSQPAUZFRFI-QGZVFWFLSA-N 2 2 269.392 2.460 50 0 CEAALP [NH3+]C[C@H]1CCC[N@H+]1Cc1ccn(Cc2ccccc2)c1 ZINC000097162655 364470151 /nfs/dbraw/zinc/47/01/51/364470151.db2.gz UCMZSQPAUZFRFI-QGZVFWFLSA-N 2 2 269.392 2.460 50 0 CEAALP C[NH2+][C@H]1CC[N@@H+]([C@@H](C)CCc2ccc3c(c2)OCO3)C1 ZINC000097229213 364481011 /nfs/dbraw/zinc/48/10/11/364481011.db2.gz DQHRZGXCRYKTQL-JSGCOSHPSA-N 2 2 276.380 2.030 50 0 CEAALP C[NH2+][C@H]1CC[N@H+]([C@@H](C)CCc2ccc3c(c2)OCO3)C1 ZINC000097229213 364481016 /nfs/dbraw/zinc/48/10/16/364481016.db2.gz DQHRZGXCRYKTQL-JSGCOSHPSA-N 2 2 276.380 2.030 50 0 CEAALP Cn1c[nH+]cc1CNc1[nH+]c2cc(F)ccc2n1C ZINC000097379543 364497978 /nfs/dbraw/zinc/49/79/78/364497978.db2.gz FOVUPOXXLHNMTG-UHFFFAOYSA-N 2 2 259.288 2.058 50 0 CEAALP [NH3+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C(F)(F)F ZINC000101648757 364570116 /nfs/dbraw/zinc/57/01/16/364570116.db2.gz LVXYOAXXSAFLMT-RYUDHWBXSA-N 2 2 258.287 2.398 50 0 CEAALP [NH3+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C(F)(F)F ZINC000101648757 364570120 /nfs/dbraw/zinc/57/01/20/364570120.db2.gz LVXYOAXXSAFLMT-RYUDHWBXSA-N 2 2 258.287 2.398 50 0 CEAALP c1[nH]c2c([nH+]1)CCN(C[C@@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC000244718864 370796366 /nfs/dbraw/zinc/79/63/66/370796366.db2.gz LSKKYYLIDISWPD-MRXNPFEDSA-N 2 2 296.418 2.290 50 0 CEAALP c1[nH]c2c([nH+]1)CCN(C[C@@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC000244718864 370796368 /nfs/dbraw/zinc/79/63/68/370796368.db2.gz LSKKYYLIDISWPD-MRXNPFEDSA-N 2 2 296.418 2.290 50 0 CEAALP C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1cncn1C ZINC000225386159 370291569 /nfs/dbraw/zinc/29/15/69/370291569.db2.gz WCDRZJMOJRWAMB-CYBMUJFWSA-N 2 2 285.395 2.135 50 0 CEAALP CC(C)N(C(=O)[C@H](C)[N@@H+]1CCC[C@@H](C[NH+](C)C)C1)C(C)C ZINC000229986403 370436182 /nfs/dbraw/zinc/43/61/82/370436182.db2.gz BQEKNVSLOIYTCQ-HOTGVXAUSA-N 2 2 297.487 2.294 50 0 CEAALP CC(C)N(C(=O)[C@H](C)[N@H+]1CCC[C@@H](C[NH+](C)C)C1)C(C)C ZINC000229986403 370436185 /nfs/dbraw/zinc/43/61/85/370436185.db2.gz BQEKNVSLOIYTCQ-HOTGVXAUSA-N 2 2 297.487 2.294 50 0 CEAALP C[C@@H]1C[N@H+](Cc2cc(Cl)c3c(c2)OCCO3)CC[C@H]1[NH3+] ZINC000251637062 371410040 /nfs/dbraw/zinc/41/00/40/371410040.db2.gz FSBFZSQNIYJGFS-ZWNOBZJWSA-N 2 2 296.798 2.280 50 0 CEAALP C[C@@H]1C[N@@H+](Cc2cc(Cl)c3c(c2)OCCO3)CC[C@H]1[NH3+] ZINC000251637062 371410045 /nfs/dbraw/zinc/41/00/45/371410045.db2.gz FSBFZSQNIYJGFS-ZWNOBZJWSA-N 2 2 296.798 2.280 50 0 CEAALP CC(C)C[C@H](CNc1nc[nH+]c(N)c1Cl)[NH+](C)C ZINC000277658092 193722275 /nfs/dbraw/zinc/72/22/75/193722275.db2.gz YZJUEEVLAPPXAI-SECBINFHSA-N 2 2 271.796 2.100 50 0 CEAALP c1c[nH+]c([C@H]2CCCN(c3cc(NCC4CC4)[nH+]cn3)C2)[nH]1 ZINC000091479762 135070951 /nfs/dbraw/zinc/07/09/51/135070951.db2.gz POGXNXUMRKGXCH-ZDUSSCGKSA-N 2 2 298.394 2.406 50 0 CEAALP c1c[nH+]c([C@H]2CCCN(c3cc(NCC4CC4)nc[nH+]3)C2)[nH]1 ZINC000091479762 135070952 /nfs/dbraw/zinc/07/09/52/135070952.db2.gz POGXNXUMRKGXCH-ZDUSSCGKSA-N 2 2 298.394 2.406 50 0 CEAALP c1c[nH+]c([C@@H]2CCCN(c3cc(NCC4CC4)[nH+]cn3)C2)[nH]1 ZINC000091479760 135071012 /nfs/dbraw/zinc/07/10/12/135071012.db2.gz POGXNXUMRKGXCH-CYBMUJFWSA-N 2 2 298.394 2.406 50 0 CEAALP c1c[nH+]c([C@@H]2CCCN(c3cc(NCC4CC4)nc[nH+]3)C2)[nH]1 ZINC000091479760 135071013 /nfs/dbraw/zinc/07/10/13/135071013.db2.gz POGXNXUMRKGXCH-CYBMUJFWSA-N 2 2 298.394 2.406 50 0 CEAALP Cc1nnc2n1CCC[C@H]2[NH2+]CCCc1c[nH+]ccc1C ZINC000368569409 156370080 /nfs/dbraw/zinc/37/00/80/156370080.db2.gz VWJVHRUGGWKUCT-OAHLLOKOSA-N 2 2 285.395 2.347 50 0 CEAALP CC[C@H](C)[NH+]1CCC([NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000004744530 170010697 /nfs/dbraw/zinc/01/06/97/170010697.db2.gz ZIGZSNQDEOYGCI-BFHYXJOUSA-N 2 2 254.418 2.359 50 0 CEAALP CC(=O)Nc1ccc2c(c1)[nH+]c(CCn1cc[nH+]c1C)n2C ZINC000006665574 170224019 /nfs/dbraw/zinc/22/40/19/170224019.db2.gz LWVCOLHGTOEEDD-UHFFFAOYSA-N 2 2 297.362 2.279 50 0 CEAALP COc1ccc(F)c(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000072154336 176327747 /nfs/dbraw/zinc/32/77/47/176327747.db2.gz AZXKJEGOAORJIY-INIZCTEOSA-N 2 2 278.371 2.410 50 0 CEAALP COc1ccc(F)c(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000072154336 176327749 /nfs/dbraw/zinc/32/77/49/176327749.db2.gz AZXKJEGOAORJIY-INIZCTEOSA-N 2 2 278.371 2.410 50 0 CEAALP COc1cccc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1OC ZINC000072172756 176333501 /nfs/dbraw/zinc/33/35/01/176333501.db2.gz NKUYAZRISCZEEP-KRWDZBQOSA-N 2 2 290.407 2.279 50 0 CEAALP COc1cccc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1OC ZINC000072172756 176333504 /nfs/dbraw/zinc/33/35/04/176333504.db2.gz NKUYAZRISCZEEP-KRWDZBQOSA-N 2 2 290.407 2.279 50 0 CEAALP C[C@H]([NH3+])[C@H]1C[N@H+](CC(C)(C)c2ccccc2)CCO1 ZINC000097095740 299000529 /nfs/dbraw/zinc/00/05/29/299000529.db2.gz BLWQGQKGTXEYQR-DZGCQCFKSA-N 2 2 262.397 2.012 50 0 CEAALP C[C@H]([NH3+])[C@H]1C[N@@H+](CC(C)(C)c2ccccc2)CCO1 ZINC000097095740 299000533 /nfs/dbraw/zinc/00/05/33/299000533.db2.gz BLWQGQKGTXEYQR-DZGCQCFKSA-N 2 2 262.397 2.012 50 0 CEAALP NC(=[NH2+])NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000069948198 295006656 /nfs/dbraw/zinc/00/66/56/295006656.db2.gz RSCMUSXFKKLIBE-LLVKDONJSA-N 2 2 284.766 2.099 50 0 CEAALP FC(F)(F)c1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H]2C[NH2+]C[C@H]23)cn1 ZINC000534577688 328310778 /nfs/dbraw/zinc/31/07/78/328310778.db2.gz BNZPOMBEZCBVFY-MPZDIEGVSA-N 2 2 297.324 2.283 50 0 CEAALP FC(F)(F)c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H]2C[NH2+]C[C@H]23)cn1 ZINC000534577688 328310779 /nfs/dbraw/zinc/31/07/79/328310779.db2.gz BNZPOMBEZCBVFY-MPZDIEGVSA-N 2 2 297.324 2.283 50 0 CEAALP Cc1[nH+]ccn1C[C@H](C)[N@H+](C)Cc1cscn1 ZINC000823648993 810619898 /nfs/dbraw/zinc/61/98/98/810619898.db2.gz OPDDOYHSBMQADR-JTQLQIEISA-N 2 2 250.371 2.169 50 0 CEAALP Cc1[nH+]ccn1C[C@H](C)[N@@H+](C)Cc1cscn1 ZINC000823648993 810619902 /nfs/dbraw/zinc/61/99/02/810619902.db2.gz OPDDOYHSBMQADR-JTQLQIEISA-N 2 2 250.371 2.169 50 0 CEAALP Cc1n[nH]cc1C[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000036901479 361868304 /nfs/dbraw/zinc/86/83/04/361868304.db2.gz DKPICPMPPNMUQM-UHFFFAOYSA-N 2 2 272.396 2.330 50 0 CEAALP Cc1n[nH]cc1C[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000036901479 361868311 /nfs/dbraw/zinc/86/83/11/361868311.db2.gz DKPICPMPPNMUQM-UHFFFAOYSA-N 2 2 272.396 2.330 50 0 CEAALP CCC(=O)N1CCC[N@H+](CCCc2c[nH+]ccc2C)CC1 ZINC000170607035 344486186 /nfs/dbraw/zinc/48/61/86/344486186.db2.gz LJVCLPKPQQBARV-UHFFFAOYSA-N 2 2 289.423 2.267 50 0 CEAALP CCC(=O)N1CCC[N@@H+](CCCc2c[nH+]ccc2C)CC1 ZINC000170607035 344486188 /nfs/dbraw/zinc/48/61/88/344486188.db2.gz LJVCLPKPQQBARV-UHFFFAOYSA-N 2 2 289.423 2.267 50 0 CEAALP Cc1ccc2[nH]c(CC[NH2+][C@@H]3CCCOC3)[nH+]c2c1C ZINC000584894752 345001218 /nfs/dbraw/zinc/00/12/18/345001218.db2.gz DFLBWSSNJQGMGJ-CYBMUJFWSA-N 2 2 273.380 2.491 50 0 CEAALP Cc1ccc2[nH+]c(CC[NH2+][C@@H]3CCCOC3)[nH]c2c1C ZINC000584894752 345001222 /nfs/dbraw/zinc/00/12/22/345001222.db2.gz DFLBWSSNJQGMGJ-CYBMUJFWSA-N 2 2 273.380 2.491 50 0 CEAALP CC(C)Oc1ccccc1CC[NH2+][C@@H]1CCC[NH2+]C1 ZINC000067872895 362929745 /nfs/dbraw/zinc/92/97/45/362929745.db2.gz WZDIBWMEJADIDF-OAHLLOKOSA-N 2 2 262.397 2.358 50 0 CEAALP [NH3+]C[C@@H]1CCN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000178520515 189123273 /nfs/dbraw/zinc/12/32/73/189123273.db2.gz ACYNNXMSCBNHFV-ZDUSSCGKSA-N 2 2 297.358 2.295 50 0 CEAALP C[NH+](C)CCCNc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000001812678 361221934 /nfs/dbraw/zinc/22/19/34/361221934.db2.gz FKHUFJQGSOJKSI-UHFFFAOYSA-N 2 2 296.378 2.179 50 0 CEAALP Cc1cccc(N2CC[N@H+](Cc3ccncc3)[C@H](C)C2)[nH+]1 ZINC000096424689 364421870 /nfs/dbraw/zinc/42/18/70/364421870.db2.gz BDNZMJLAFRLSIB-OAHLLOKOSA-N 2 2 282.391 2.496 50 0 CEAALP Cc1cccc(N2CC[N@@H+](Cc3ccncc3)[C@H](C)C2)[nH+]1 ZINC000096424689 364421878 /nfs/dbraw/zinc/42/18/78/364421878.db2.gz BDNZMJLAFRLSIB-OAHLLOKOSA-N 2 2 282.391 2.496 50 0 CEAALP Cc1c[nH+]ccc1CC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000358249996 370971263 /nfs/dbraw/zinc/97/12/63/370971263.db2.gz KRVUXSIRONEJNX-HOTGVXAUSA-N 3 2 259.397 2.149 50 0 CEAALP Cc1c[nH+]ccc1CC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000358249996 370971269 /nfs/dbraw/zinc/97/12/69/370971269.db2.gz KRVUXSIRONEJNX-HOTGVXAUSA-N 3 2 259.397 2.149 50 0 CEAALP COCC[N@@H+]1CCC[C@@H]([NH2+]C[C@@H]2CC=CCC2)C1 ZINC000221674161 370243155 /nfs/dbraw/zinc/24/31/55/370243155.db2.gz UOCYFILVIRYTMR-HUUCEWRRSA-N 2 2 252.402 2.043 50 0 CEAALP COCC[N@H+]1CCC[C@@H]([NH2+]C[C@@H]2CC=CCC2)C1 ZINC000221674161 370243158 /nfs/dbraw/zinc/24/31/58/370243158.db2.gz UOCYFILVIRYTMR-HUUCEWRRSA-N 2 2 252.402 2.043 50 0 CEAALP Nc1nc(NCCCc2ccccc2)cc(C2CC([NH3+])C2)[nH+]1 ZINC000218951313 394458383 /nfs/dbraw/zinc/45/83/83/394458383.db2.gz JOGZSAJGBJVFGB-UHFFFAOYSA-N 2 2 297.406 2.308 50 0 CEAALP c1c[nH]c(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c1 ZINC000192027068 395370178 /nfs/dbraw/zinc/37/01/78/395370178.db2.gz MOYJQJNGODSHKG-GOSISDBHSA-N 2 2 299.418 2.395 50 0 CEAALP c1c[nH]c(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1 ZINC000192027068 395370184 /nfs/dbraw/zinc/37/01/84/395370184.db2.gz MOYJQJNGODSHKG-GOSISDBHSA-N 2 2 299.418 2.395 50 0 CEAALP CC[NH+](CC)CCC[C@H](C)Nc1[nH+]cnc2c1cnn2C ZINC000009531978 170380580 /nfs/dbraw/zinc/38/05/80/170380580.db2.gz UTKUBDMQVHQEMM-LBPRGKRZSA-N 2 2 290.415 2.286 50 0 CEAALP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H]1CCSC1 ZINC000020186609 171050887 /nfs/dbraw/zinc/05/08/87/171050887.db2.gz NFYSFGDWNCTPGI-GFCCVEGCSA-N 2 2 261.394 2.440 50 0 CEAALP Cc1n[nH]cc1C[NH2+]C[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000071837267 176274244 /nfs/dbraw/zinc/27/42/44/176274244.db2.gz AONBIFOATWOXRT-MRXNPFEDSA-N 2 2 272.396 2.419 50 0 CEAALP C[C@H]1CC[N@H+](CCc2ccccn2)C[C@@H]1n1cc[nH+]c1 ZINC000095981739 185053742 /nfs/dbraw/zinc/05/37/42/185053742.db2.gz LPYCHHMQTNINJR-HOCLYGCPSA-N 2 2 270.380 2.404 50 0 CEAALP C[C@H]1CC[N@@H+](CCc2ccccn2)C[C@@H]1n1cc[nH+]c1 ZINC000095981739 185053743 /nfs/dbraw/zinc/05/37/43/185053743.db2.gz LPYCHHMQTNINJR-HOCLYGCPSA-N 2 2 270.380 2.404 50 0 CEAALP Cc1ccc2c(c1)[nH+]c(N)n2CCCn1cc[nH+]c1 ZINC000036899119 361868271 /nfs/dbraw/zinc/86/82/71/361868271.db2.gz OFHPBXVZISYRGH-UHFFFAOYSA-N 2 2 255.325 2.214 50 0 CEAALP Cc1csc(C[NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)n1 ZINC000685943286 539306639 /nfs/dbraw/zinc/30/66/39/539306639.db2.gz KEVDQZJTDUFHHU-KGYLQXTDSA-N 2 2 265.426 2.318 50 0 CEAALP CC[NH+]1CCC([N@H+](C)[C@H](COC)c2ccccn2)CC1 ZINC000065461889 362824505 /nfs/dbraw/zinc/82/45/05/362824505.db2.gz LONQSSJQUWBGSL-MRXNPFEDSA-N 2 2 277.412 2.185 50 0 CEAALP CC[NH+]1CCC([N@@H+](C)[C@H](COC)c2ccccn2)CC1 ZINC000065461889 362824508 /nfs/dbraw/zinc/82/45/08/362824508.db2.gz LONQSSJQUWBGSL-MRXNPFEDSA-N 2 2 277.412 2.185 50 0 CEAALP C[C@H]1C[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)CCO1 ZINC000066561960 362873711 /nfs/dbraw/zinc/87/37/11/362873711.db2.gz VFSGJZOZIJSJQG-INIZCTEOSA-N 2 2 288.435 2.414 50 0 CEAALP C[C@H]1C[N@H+](C2CC[NH+](CCc3ccccc3)CC2)CCO1 ZINC000066561960 362873719 /nfs/dbraw/zinc/87/37/19/362873719.db2.gz VFSGJZOZIJSJQG-INIZCTEOSA-N 2 2 288.435 2.414 50 0 CEAALP CCc1nc(C)sc1C[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000067742937 362923120 /nfs/dbraw/zinc/92/31/20/362923120.db2.gz AJMLQERPUDIZQJ-SNVBAGLBSA-N 2 2 264.398 2.389 50 0 CEAALP O=C(CC[N@@H+]1C[C@@H]2CC[C@H]1C2)Nc1c[nH+]c2n1CCCC2 ZINC000067872561 362930145 /nfs/dbraw/zinc/93/01/45/362930145.db2.gz TWAFDXHTIWSDCR-OLZOCXBDSA-N 2 2 288.395 2.032 50 0 CEAALP O=C(CC[N@H+]1C[C@@H]2CC[C@H]1C2)Nc1c[nH+]c2n1CCCC2 ZINC000067872561 362930151 /nfs/dbraw/zinc/93/01/51/362930151.db2.gz TWAFDXHTIWSDCR-OLZOCXBDSA-N 2 2 288.395 2.032 50 0 CEAALP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1noc(C2CCC2)n1 ZINC000625267444 350447225 /nfs/dbraw/zinc/44/72/25/350447225.db2.gz VJVKKWDYBPCOAJ-UHFFFAOYSA-N 2 2 289.383 2.364 50 0 CEAALP Cc1[nH+]ccn1CCC[N@H+](C)Cc1noc(C2CCC2)n1 ZINC000625267444 350447228 /nfs/dbraw/zinc/44/72/28/350447228.db2.gz VJVKKWDYBPCOAJ-UHFFFAOYSA-N 2 2 289.383 2.364 50 0 CEAALP c1cc(OC2CC[NH+](C[C@H]3CCCCO3)CC2)cc[nH+]1 ZINC000670447570 540414053 /nfs/dbraw/zinc/41/40/53/540414053.db2.gz DREKRBOFXWWZPK-MRXNPFEDSA-N 2 2 276.380 2.494 50 0 CEAALP C[C@@H](c1ncnn1-c1cc[nH+]cc1)[NH+]1CCCCC1 ZINC000670455838 540418600 /nfs/dbraw/zinc/41/86/00/540418600.db2.gz JQCIKAHRNJAIFB-LBPRGKRZSA-N 2 2 257.341 2.209 50 0 CEAALP C[C@@H]1C[N@@H+](C2CC(C)(C)[NH2+]C(C)(C)C2)CCC1=O ZINC000000129256 361132397 /nfs/dbraw/zinc/13/23/97/361132397.db2.gz SISQFEZLNOSCNG-LLVKDONJSA-N 2 2 252.402 2.207 50 0 CEAALP C[C@@H]1C[N@H+](C2CC(C)(C)[NH2+]C(C)(C)C2)CCC1=O ZINC000000129256 361132404 /nfs/dbraw/zinc/13/24/04/361132404.db2.gz SISQFEZLNOSCNG-LLVKDONJSA-N 2 2 252.402 2.207 50 0 CEAALP C[C@H]1C[N@@H+](C2CC(C)(C)[NH2+]C(C)(C)C2)CCC1=O ZINC000000129254 361132586 /nfs/dbraw/zinc/13/25/86/361132586.db2.gz SISQFEZLNOSCNG-NSHDSACASA-N 2 2 252.402 2.207 50 0 CEAALP C[C@H]1C[N@H+](C2CC(C)(C)[NH2+]C(C)(C)C2)CCC1=O ZINC000000129254 361132590 /nfs/dbraw/zinc/13/25/90/361132590.db2.gz SISQFEZLNOSCNG-NSHDSACASA-N 2 2 252.402 2.207 50 0 CEAALP OCC[NH2+]CCC[NH2+]Cc1c(Cl)cccc1Cl ZINC000013732830 361439554 /nfs/dbraw/zinc/43/95/54/361439554.db2.gz IYULCQHOIMJAJR-UHFFFAOYSA-N 2 2 277.195 2.055 50 0 CEAALP COc1cc2c(cc1OC)C[N@@H+](C1CC[NH+](C)CC1)CC2 ZINC000016663279 361495363 /nfs/dbraw/zinc/49/53/63/361495363.db2.gz IXPWSGOJGYOZAQ-UHFFFAOYSA-N 2 2 290.407 2.156 50 0 CEAALP COc1cc2c(cc1OC)C[N@H+](C1CC[NH+](C)CC1)CC2 ZINC000016663279 361495364 /nfs/dbraw/zinc/49/53/64/361495364.db2.gz IXPWSGOJGYOZAQ-UHFFFAOYSA-N 2 2 290.407 2.156 50 0 CEAALP C[C@@H]([NH2+]C[C@@H]1CCCn2cc[nH+]c21)c1nc(C2CC2)no1 ZINC000084667648 363818505 /nfs/dbraw/zinc/81/85/05/363818505.db2.gz RNOIEKJLWCXEBU-PWSUYJOCSA-N 2 2 287.367 2.372 50 0 CEAALP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000237506310 370726787 /nfs/dbraw/zinc/72/67/87/370726787.db2.gz COJJYUHYCIADMI-DZGCQCFKSA-N 2 2 298.390 2.072 50 0 CEAALP C[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccc3F)CC2)C1 ZINC000095350603 364343231 /nfs/dbraw/zinc/34/32/31/364343231.db2.gz KASFEUCALWFDSS-OAHLLOKOSA-N 2 2 291.414 2.290 50 0 CEAALP C[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccc3F)CC2)C1 ZINC000095350603 364343234 /nfs/dbraw/zinc/34/32/34/364343234.db2.gz KASFEUCALWFDSS-OAHLLOKOSA-N 2 2 291.414 2.290 50 0 CEAALP Nc1cc[nH+]c(N2CCC[C@H](c3[nH+]ccn3CC3CC3)C2)n1 ZINC000095516368 364393598 /nfs/dbraw/zinc/39/35/98/364393598.db2.gz CBRMKQPIMRXQRI-ZDUSSCGKSA-N 2 2 298.394 2.049 50 0 CEAALP Cc1[nH+]c(CN(C)Cc2[nH+]ccn2C)c2ccccn12 ZINC000097480115 364507348 /nfs/dbraw/zinc/50/73/48/364507348.db2.gz VKQHCBWRFCBWQU-UHFFFAOYSA-N 2 2 269.352 2.008 50 0 CEAALP Cc1cc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)no1 ZINC000104320830 364692147 /nfs/dbraw/zinc/69/21/47/364692147.db2.gz VIOFQGOWEVGFHJ-CYBMUJFWSA-N 2 2 274.368 2.171 50 0 CEAALP Cc1cc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)no1 ZINC000104320830 364692148 /nfs/dbraw/zinc/69/21/48/364692148.db2.gz VIOFQGOWEVGFHJ-CYBMUJFWSA-N 2 2 274.368 2.171 50 0 CEAALP CCc1[nH+]ccn1CC[N@H+]1CC[C@H](n2nc(C)cc2C)C1 ZINC000244899314 370802914 /nfs/dbraw/zinc/80/29/14/370802914.db2.gz ZHQUFTMCUZFBSL-HNNXBMFYSA-N 2 2 287.411 2.206 50 0 CEAALP Cc1[nH]c(C[N@@H+](C)Cc2ccccc2C[NH+](C)C)c[nH+]1 ZINC000215003648 370171366 /nfs/dbraw/zinc/17/13/66/370171366.db2.gz KJLOWIBNKOEEJK-UHFFFAOYSA-N 3 2 272.396 2.412 50 0 CEAALP Cc1[nH]c(C[N@H+](C)Cc2ccccc2C[NH+](C)C)c[nH+]1 ZINC000215003648 370171369 /nfs/dbraw/zinc/17/13/69/370171369.db2.gz KJLOWIBNKOEEJK-UHFFFAOYSA-N 3 2 272.396 2.412 50 0 CEAALP CCCC1CCN(c2cc(C3CC([NH3+])C3)[nH+]c(N)n2)CC1 ZINC000219209522 370220969 /nfs/dbraw/zinc/22/09/69/370220969.db2.gz BPRSLNADWWUWKH-UHFFFAOYSA-N 2 2 289.427 2.280 50 0 CEAALP Cc1ccc(NC(=O)CC[N@@H+]2CCCC[C@H]2C[NH3+])cc1F ZINC000252489446 371445356 /nfs/dbraw/zinc/44/53/56/371445356.db2.gz JRFQZZZBKLSZCV-AWEZNQCLSA-N 2 2 293.386 2.276 50 0 CEAALP Cc1ccc(NC(=O)CC[N@H+]2CCCC[C@H]2C[NH3+])cc1F ZINC000252489446 371445364 /nfs/dbraw/zinc/44/53/64/371445364.db2.gz JRFQZZZBKLSZCV-AWEZNQCLSA-N 2 2 293.386 2.276 50 0 CEAALP CC(C)(C)c1nc(N2CC[NH2+]CC2)cc(C2(C)CC2)[nH+]1 ZINC000091301362 135067743 /nfs/dbraw/zinc/06/77/43/135067743.db2.gz FFPRWFIBQNZWDL-UHFFFAOYSA-N 2 2 274.412 2.235 50 0 CEAALP Cn1c(Cl)cnc1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000047972256 400186396 /nfs/dbraw/zinc/18/63/96/400186396.db2.gz DAVZYUIRCMYIRO-UHFFFAOYSA-N 2 2 296.846 2.381 50 0 CEAALP COc1cccc(-c2n[nH]cc2C[NH2+]CCn2cc[nH+]c2)c1 ZINC000048682459 400204832 /nfs/dbraw/zinc/20/48/32/400204832.db2.gz QRPASIXSNAEIIT-UHFFFAOYSA-N 2 2 297.362 2.072 50 0 CEAALP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000035274754 172095539 /nfs/dbraw/zinc/09/55/39/172095539.db2.gz BUNZRXJMFNJNAK-AWEZNQCLSA-N 2 2 281.363 2.247 50 0 CEAALP c1c[nH]c(C[NH+]2CCC(C[NH+]3CCCCC3)CC2)n1 ZINC000077427123 177265893 /nfs/dbraw/zinc/26/58/93/177265893.db2.gz ISBLEFAFELSGAK-UHFFFAOYSA-N 2 2 262.401 2.108 50 0 CEAALP Cc1cc(C[N@@H+](CCO)C2CC[NH+](C)CC2)ccc1F ZINC000305170264 261379115 /nfs/dbraw/zinc/37/91/15/261379115.db2.gz FDAWSAGWRZFSPE-UHFFFAOYSA-N 2 2 280.387 2.023 50 0 CEAALP Cc1cc(C[N@H+](CCO)C2CC[NH+](C)CC2)ccc1F ZINC000305170264 261379116 /nfs/dbraw/zinc/37/91/16/261379116.db2.gz FDAWSAGWRZFSPE-UHFFFAOYSA-N 2 2 280.387 2.023 50 0 CEAALP Cc1ccc(Cl)c(OCC[N@@H+]2CCO[C@@H](CC[NH3+])C2)c1 ZINC000534583476 328312911 /nfs/dbraw/zinc/31/29/11/328312911.db2.gz CTCJEKBHNCMACA-ZDUSSCGKSA-N 2 2 298.814 2.077 50 0 CEAALP Cc1ccc(Cl)c(OCC[N@H+]2CCO[C@@H](CC[NH3+])C2)c1 ZINC000534583476 328312912 /nfs/dbraw/zinc/31/29/12/328312912.db2.gz CTCJEKBHNCMACA-ZDUSSCGKSA-N 2 2 298.814 2.077 50 0 CEAALP Cc1[nH+]ccn1CC[C@H](C)[NH2+]CC1([NH+](C)C)CCCC1 ZINC000534591524 328318400 /nfs/dbraw/zinc/31/84/00/328318400.db2.gz WWWBPVSCUZOHGJ-AWEZNQCLSA-N 3 2 278.444 2.434 50 0 CEAALP Cc1nc(C[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)n(C)c1C ZINC000952965348 642591258 /nfs/dbraw/zinc/59/12/58/642591258.db2.gz CWWOONBLUQABCM-CQSZACIVSA-N 2 2 289.427 2.438 50 0 CEAALP [NH3+][C@H]1CN(Cc2c[nH+]cn2C2CCCC2)C[C@@H]1C1CC1 ZINC000219600521 813667570 /nfs/dbraw/zinc/66/75/70/813667570.db2.gz OVIJARQIBNDFAT-CVEARBPZSA-N 2 2 274.412 2.167 50 0 CEAALP c1c(CC[NH2+]Cc2cccc3c2OCO3)[nH+]c2n1CCCC2 ZINC000097743714 230387364 /nfs/dbraw/zinc/38/73/64/230387364.db2.gz WELQTMAXPDKNHF-UHFFFAOYSA-N 2 2 299.374 2.280 50 0 CEAALP COc1ccc(C[C@@H](C)[NH2+]CCc2c[nH]c[nH+]2)cc1OC ZINC000023282744 343381685 /nfs/dbraw/zinc/38/16/85/343381685.db2.gz CDTKARHOTQUVNT-GFCCVEGCSA-N 2 2 289.379 2.190 50 0 CEAALP COc1ccc(C[C@@H](C)[NH2+]CCc2c[nH+]c[nH]2)cc1OC ZINC000023282744 343381687 /nfs/dbraw/zinc/38/16/87/343381687.db2.gz CDTKARHOTQUVNT-GFCCVEGCSA-N 2 2 289.379 2.190 50 0 CEAALP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1cn2ccsc2n1 ZINC000095967472 344237731 /nfs/dbraw/zinc/23/77/31/344237731.db2.gz LBJAEHNNSHXXCE-WZRBSPASSA-N 2 2 278.425 2.214 50 0 CEAALP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1cn2ccsc2n1 ZINC000095967472 344237732 /nfs/dbraw/zinc/23/77/32/344237732.db2.gz LBJAEHNNSHXXCE-WZRBSPASSA-N 2 2 278.425 2.214 50 0 CEAALP c1cc(OC2CC[NH+]([C@H]3CCSC3)CC2)cc[nH+]1 ZINC000584891495 344999923 /nfs/dbraw/zinc/99/99/23/344999923.db2.gz IFZIYRUBAGSSEM-LBPRGKRZSA-N 2 2 264.394 2.430 50 0 CEAALP CCNc1cc[nH+]c(NC[C@H](c2cccc(C)c2)[NH+](C)C)n1 ZINC000584893522 345000796 /nfs/dbraw/zinc/00/07/96/345000796.db2.gz BWGSAAQCWCRUJN-OAHLLOKOSA-N 2 2 299.422 2.354 50 0 CEAALP CC[C@@H]1CN(Cc2[nH]c[nH+]c2C)CC[N@@H+]1C(C)C ZINC000065382659 362813639 /nfs/dbraw/zinc/81/36/39/362813639.db2.gz ADXRIIIFZUOKAM-CYBMUJFWSA-N 2 2 250.390 2.023 50 0 CEAALP CC[C@@H]1CN(Cc2[nH]c[nH+]c2C)CC[N@H+]1C(C)C ZINC000065382659 362813643 /nfs/dbraw/zinc/81/36/43/362813643.db2.gz ADXRIIIFZUOKAM-CYBMUJFWSA-N 2 2 250.390 2.023 50 0 CEAALP c1ccc(NC[C@@H]2CC[N@H+](Cc3nnc(C4CC4)o3)C2)[nH+]c1 ZINC000065465844 362825379 /nfs/dbraw/zinc/82/53/79/362825379.db2.gz XWTHPGWMZMNGKD-LBPRGKRZSA-N 2 2 299.378 2.276 50 0 CEAALP c1ccc(NC[C@@H]2CC[N@@H+](Cc3nnc(C4CC4)o3)C2)[nH+]c1 ZINC000065465844 362825387 /nfs/dbraw/zinc/82/53/87/362825387.db2.gz XWTHPGWMZMNGKD-LBPRGKRZSA-N 2 2 299.378 2.276 50 0 CEAALP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cccc(-n2cccn2)c1 ZINC000067435314 362906275 /nfs/dbraw/zinc/90/62/75/362906275.db2.gz YJGZMVABNRTAMG-AWEZNQCLSA-N 2 2 281.363 2.247 50 0 CEAALP CCc1[nH]c(C[N@@H+]2CC[C@@](C)(O)[C@@H](CC)C2)c(C)[nH+]1 ZINC000067769504 362922832 /nfs/dbraw/zinc/92/28/32/362922832.db2.gz FWPYLTNYEAHREV-SWLSCSKDSA-N 2 2 265.401 2.263 50 0 CEAALP CCc1[nH]c(C[N@H+]2CC[C@@](C)(O)[C@@H](CC)C2)c(C)[nH+]1 ZINC000067769504 362922836 /nfs/dbraw/zinc/92/28/36/362922836.db2.gz FWPYLTNYEAHREV-SWLSCSKDSA-N 2 2 265.401 2.263 50 0 CEAALP CC1(C)C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CCO1 ZINC000069463444 362970913 /nfs/dbraw/zinc/97/09/13/362970913.db2.gz CUTITVLBGIAEFW-UHFFFAOYSA-N 2 2 271.364 2.483 50 0 CEAALP CC1(C)C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CCO1 ZINC000069463444 362970915 /nfs/dbraw/zinc/97/09/15/362970915.db2.gz CUTITVLBGIAEFW-UHFFFAOYSA-N 2 2 271.364 2.483 50 0 CEAALP c1c[nH+]c([C@H]2CCC[N@H+](C3CSCCSC3)C2)[nH]1 ZINC000670441937 540411339 /nfs/dbraw/zinc/41/13/39/540411339.db2.gz YNZCBPMZLGZYSD-NSHDSACASA-N 2 2 283.466 2.438 50 0 CEAALP c1c[nH+]c([C@H]2CCC[N@@H+](C3CSCCSC3)C2)[nH]1 ZINC000670441937 540411343 /nfs/dbraw/zinc/41/13/43/540411343.db2.gz YNZCBPMZLGZYSD-NSHDSACASA-N 2 2 283.466 2.438 50 0 CEAALP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000082115166 363751818 /nfs/dbraw/zinc/75/18/18/363751818.db2.gz DCQSRGNHASBGTB-OAHLLOKOSA-N 3 2 287.411 2.195 50 0 CEAALP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000082115166 363751819 /nfs/dbraw/zinc/75/18/19/363751819.db2.gz DCQSRGNHASBGTB-OAHLLOKOSA-N 3 2 287.411 2.195 50 0 CEAALP OCC[NH2+]CCC[NH2+]Cc1cccc(Cl)c1Cl ZINC000013733113 361439449 /nfs/dbraw/zinc/43/94/49/361439449.db2.gz CAABLHRIIGGORC-UHFFFAOYSA-N 2 2 277.195 2.055 50 0 CEAALP CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1cccc(Cl)c1Cl ZINC000016981301 361501221 /nfs/dbraw/zinc/50/12/21/361501221.db2.gz IQJZDWAKBWIRJI-UHFFFAOYSA-N 2 2 286.166 2.179 50 0 CEAALP C[N@@H+](Cc1cc[nH]n1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093337030 364166899 /nfs/dbraw/zinc/16/68/99/364166899.db2.gz SLTKFAHLGHDMTR-INIZCTEOSA-N 2 2 284.407 2.364 50 0 CEAALP C[N@H+](Cc1cc[nH]n1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093337030 364166904 /nfs/dbraw/zinc/16/69/04/364166904.db2.gz SLTKFAHLGHDMTR-INIZCTEOSA-N 2 2 284.407 2.364 50 0 CEAALP C[NH+](Cc1cc[nH]n1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000093337030 364166911 /nfs/dbraw/zinc/16/69/11/364166911.db2.gz SLTKFAHLGHDMTR-INIZCTEOSA-N 2 2 284.407 2.364 50 0 CEAALP C[NH+](Cc1cc[nH]n1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000093337030 364166916 /nfs/dbraw/zinc/16/69/16/364166916.db2.gz SLTKFAHLGHDMTR-INIZCTEOSA-N 2 2 284.407 2.364 50 0 CEAALP Cc1csc(C[N@@H+](C)CCCc2[nH+]ccn2C)n1 ZINC000240128319 370778593 /nfs/dbraw/zinc/77/85/93/370778593.db2.gz IPTOSNGKINJJDT-UHFFFAOYSA-N 2 2 264.398 2.250 50 0 CEAALP Cc1csc(C[N@H+](C)CCCc2[nH+]ccn2C)n1 ZINC000240128319 370778597 /nfs/dbraw/zinc/77/85/97/370778597.db2.gz IPTOSNGKINJJDT-UHFFFAOYSA-N 2 2 264.398 2.250 50 0 CEAALP CCO[C@@H]1C[C@H]([NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)C12CCCC2 ZINC000095410416 364362763 /nfs/dbraw/zinc/36/27/63/364362763.db2.gz HWRPGXWRFXTTMB-LJISPDSOSA-N 2 2 266.429 2.264 50 0 CEAALP CCO[C@@H]1C[C@H]([NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)C12CCCC2 ZINC000095410416 364362767 /nfs/dbraw/zinc/36/27/67/364362767.db2.gz HWRPGXWRFXTTMB-LJISPDSOSA-N 2 2 266.429 2.264 50 0 CEAALP COCC[N@@H+]1CCC[C@@H]([NH2+]C[C@H]2CC=CCC2)C1 ZINC000095433986 364375909 /nfs/dbraw/zinc/37/59/09/364375909.db2.gz UOCYFILVIRYTMR-LSDHHAIUSA-N 2 2 252.402 2.043 50 0 CEAALP COCC[N@H+]1CCC[C@@H]([NH2+]C[C@H]2CC=CCC2)C1 ZINC000095433986 364375913 /nfs/dbraw/zinc/37/59/13/364375913.db2.gz UOCYFILVIRYTMR-LSDHHAIUSA-N 2 2 252.402 2.043 50 0 CEAALP Cc1cc(NCC[N@@H+]2CCOC(C)(C)C2)nc(C2CC2)[nH+]1 ZINC000172014922 367659724 /nfs/dbraw/zinc/65/97/24/367659724.db2.gz ZUFVXWQFSBJELQ-UHFFFAOYSA-N 2 2 290.411 2.185 50 0 CEAALP Cc1cc(NCC[N@H+]2CCOC(C)(C)C2)nc(C2CC2)[nH+]1 ZINC000172014922 367659729 /nfs/dbraw/zinc/65/97/29/367659729.db2.gz ZUFVXWQFSBJELQ-UHFFFAOYSA-N 2 2 290.411 2.185 50 0 CEAALP Cc1nc(N2CCC[C@@H]2C[NH+]2CCCCC2)cc[nH+]1 ZINC000195570812 370143555 /nfs/dbraw/zinc/14/35/55/370143555.db2.gz TURQKAVXGRAZCH-CQSZACIVSA-N 2 2 260.385 2.240 50 0 CEAALP C[C@H]([NH2+]C[C@@H](O)C(F)(F)F)c1cccc(-n2cc[nH+]c2)c1 ZINC000195577348 370143598 /nfs/dbraw/zinc/14/35/98/370143598.db2.gz KWTKFWNYZRWMIX-GXFFZTMASA-N 2 2 299.296 2.446 50 0 CEAALP CC(C)(C)CCNc1cc(C2CC([NH3+])C2)[nH+]c(N)n1 ZINC000223427127 370265377 /nfs/dbraw/zinc/26/53/77/370265377.db2.gz NLRNWZXCMZTCQU-UHFFFAOYSA-N 2 2 263.389 2.112 50 0 CEAALP CCn1c[nH+]cc1C[N@H+](CCO)Cc1ccccc1C ZINC000252480264 371441298 /nfs/dbraw/zinc/44/12/98/371441298.db2.gz BZDLVQDYFQAWNS-UHFFFAOYSA-N 2 2 273.380 2.206 50 0 CEAALP CCn1c[nH+]cc1C[N@@H+](CCO)Cc1ccccc1C ZINC000252480264 371441300 /nfs/dbraw/zinc/44/13/00/371441300.db2.gz BZDLVQDYFQAWNS-UHFFFAOYSA-N 2 2 273.380 2.206 50 0 CEAALP C[NH+]1CCC([N@@H+](C/C=C/c2ccccc2)CCO)CC1 ZINC000264369163 190105103 /nfs/dbraw/zinc/10/51/03/190105103.db2.gz MMACERBWIDJAJG-VMPITWQZSA-N 2 2 274.408 2.088 50 0 CEAALP C[NH+]1CCC([N@H+](C/C=C/c2ccccc2)CCO)CC1 ZINC000264369163 190105104 /nfs/dbraw/zinc/10/51/04/190105104.db2.gz MMACERBWIDJAJG-VMPITWQZSA-N 2 2 274.408 2.088 50 0 CEAALP COc1ccc(F)c(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000072154335 176327714 /nfs/dbraw/zinc/32/77/14/176327714.db2.gz AZXKJEGOAORJIY-MRXNPFEDSA-N 2 2 278.371 2.410 50 0 CEAALP COc1ccc(F)c(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000072154335 176327715 /nfs/dbraw/zinc/32/77/15/176327715.db2.gz AZXKJEGOAORJIY-MRXNPFEDSA-N 2 2 278.371 2.410 50 0 CEAALP [NH2+]=C1NC(=[NH2+])N(c2ccccc2Cl)[C@H](c2ccccc2)N1 ZINC000000063598 274943028 /nfs/dbraw/zinc/94/30/28/274943028.db2.gz AHDYLSZTJRRUMK-CYBMUJFWSA-N 2 2 299.765 2.488 50 0 CEAALP c1cn2c([nH+]1)[C@@H](C[NH2+]Cc1cccc3c1OCCO3)CCC2 ZINC000084358506 275073245 /nfs/dbraw/zinc/07/32/45/275073245.db2.gz MQLWKINCXCVWOD-CQSZACIVSA-N 2 2 299.374 2.322 50 0 CEAALP Cc1ccccc1CN(CC[NH+](C)C)Cc1[nH+]ccn1C ZINC000055211315 302098629 /nfs/dbraw/zinc/09/86/29/302098629.db2.gz GSJPKSOYODZLFU-UHFFFAOYSA-N 2 2 286.423 2.292 50 0 CEAALP C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1ccccc1C(F)(F)F ZINC000095967772 185046362 /nfs/dbraw/zinc/04/63/62/185046362.db2.gz XIORFEPXSVQUNB-WDEREUQCSA-N 2 2 290.329 2.279 50 0 CEAALP CCCc1[nH+]ccn1C[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000095974647 185050044 /nfs/dbraw/zinc/05/00/44/185050044.db2.gz CNPOKKXQIDJTHL-QGZVFWFLSA-N 2 2 299.418 2.255 50 0 CEAALP CCCc1[nH+]ccn1C[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000095974647 185050046 /nfs/dbraw/zinc/05/00/46/185050046.db2.gz CNPOKKXQIDJTHL-QGZVFWFLSA-N 2 2 299.418 2.255 50 0 CEAALP COC(=O)C1CC[NH+](CCC[N@@H+]2CC(C)(C)C2(C)C)CC1 ZINC000097233686 344244180 /nfs/dbraw/zinc/24/41/80/344244180.db2.gz NUOSOAASYQPVFY-UHFFFAOYSA-N 2 2 296.455 2.382 50 0 CEAALP COC(=O)C1CC[NH+](CCC[N@H+]2CC(C)(C)C2(C)C)CC1 ZINC000097233686 344244183 /nfs/dbraw/zinc/24/41/83/344244183.db2.gz NUOSOAASYQPVFY-UHFFFAOYSA-N 2 2 296.455 2.382 50 0 CEAALP c1cn(CC2(C[NH2+]C3CCSCC3)CC2)c[nH+]1 ZINC000065463037 362825131 /nfs/dbraw/zinc/82/51/31/362825131.db2.gz QQHMNSBGWGVZLU-UHFFFAOYSA-N 2 2 251.399 2.149 50 0 CEAALP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000336839574 365912464 /nfs/dbraw/zinc/91/24/64/365912464.db2.gz KDYNGKYPVIAAAF-MRXNPFEDSA-N 3 2 286.379 2.130 50 0 CEAALP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000336839574 365912465 /nfs/dbraw/zinc/91/24/65/365912465.db2.gz KDYNGKYPVIAAAF-MRXNPFEDSA-N 3 2 286.379 2.130 50 0 CEAALP Cc1cccc(N2CC[C@@H](Oc3cc[nH+]cc3)C2)[nH+]1 ZINC000157994598 188351502 /nfs/dbraw/zinc/35/15/02/188351502.db2.gz UBPQADFBBJVVAG-CQSZACIVSA-N 2 2 255.321 2.443 50 0 CEAALP Cc1cc(CNC(=O)CC[N@@H+]2C[C@@H]3CC[C@H]2C3)c[nH+]c1C ZINC000670444951 540413526 /nfs/dbraw/zinc/41/35/26/540413526.db2.gz FZZLQNYGTYGVCX-ZBFHGGJFSA-N 2 2 287.407 2.189 50 0 CEAALP Cc1cc(CNC(=O)CC[N@H+]2C[C@@H]3CC[C@H]2C3)c[nH+]c1C ZINC000670444951 540413527 /nfs/dbraw/zinc/41/35/27/540413527.db2.gz FZZLQNYGTYGVCX-ZBFHGGJFSA-N 2 2 287.407 2.189 50 0 CEAALP c1cc2c(nc[nH+]c2N2CCC[C@H](Cn3cc[nH+]c3)C2)[nH]1 ZINC000077322486 540536828 /nfs/dbraw/zinc/53/68/28/540536828.db2.gz PMTQQOPQDIPHDW-GFCCVEGCSA-N 2 2 282.351 2.071 50 0 CEAALP CCC[NH+]1CCC([NH2+]CC(C)(C)C[NH+](C)C)CC1 ZINC000003683614 361288598 /nfs/dbraw/zinc/28/85/98/361288598.db2.gz YHZRQPWHDOQGPE-UHFFFAOYSA-N 3 2 255.450 2.038 50 0 CEAALP [NH3+][C@@H]1CCCC[N@H+](Cc2cnc(-c3ccco3)nc2)C1 ZINC000082138860 363752130 /nfs/dbraw/zinc/75/21/30/363752130.db2.gz YVHXESVGULAGEM-CYBMUJFWSA-N 2 2 272.352 2.050 50 0 CEAALP [NH3+][C@@H]1CCCC[N@@H+](Cc2cnc(-c3ccco3)nc2)C1 ZINC000082138860 363752137 /nfs/dbraw/zinc/75/21/37/363752137.db2.gz YVHXESVGULAGEM-CYBMUJFWSA-N 2 2 272.352 2.050 50 0 CEAALP Cc1ncsc1C[NH2+]C[C@H]1CCCn2cc[nH+]c21 ZINC000084066530 363797139 /nfs/dbraw/zinc/79/71/39/363797139.db2.gz PACVGAXGJBZIRW-LLVKDONJSA-N 2 2 262.382 2.315 50 0 CEAALP Cc1cnn(CC[NH2+][C@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000089702506 363993009 /nfs/dbraw/zinc/99/30/09/363993009.db2.gz YDVRMVFKZPYLLB-SFHVURJKSA-N 2 2 298.434 2.098 50 0 CEAALP Cc1cnn(CC[NH2+][C@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000089702506 363993013 /nfs/dbraw/zinc/99/30/13/363993013.db2.gz YDVRMVFKZPYLLB-SFHVURJKSA-N 2 2 298.434 2.098 50 0 CEAALP CC[N@@H+]1CCCN(Cc2c(C)[nH+]c3ccccn32)CC1 ZINC000095413236 364365577 /nfs/dbraw/zinc/36/55/77/364365577.db2.gz LWORGCZLBWUZIJ-UHFFFAOYSA-N 2 2 272.396 2.170 50 0 CEAALP CC[N@H+]1CCCN(Cc2c(C)[nH+]c3ccccn32)CC1 ZINC000095413236 364365583 /nfs/dbraw/zinc/36/55/83/364365583.db2.gz LWORGCZLBWUZIJ-UHFFFAOYSA-N 2 2 272.396 2.170 50 0 CEAALP Cc1cc(N2CC[NH+](CC3CC3)CC2)nc(C(C)C)[nH+]1 ZINC000097477030 364505755 /nfs/dbraw/zinc/50/57/55/364505755.db2.gz XAGLGFUYWHJMAD-UHFFFAOYSA-N 2 2 274.412 2.440 50 0 CEAALP COc1cc(C[N@@H+]2CC[C@@H](C[NH3+])C2)cc(Cl)c1OC ZINC000097679752 364515661 /nfs/dbraw/zinc/51/56/61/364515661.db2.gz RXUIOEZHDJAPKJ-JTQLQIEISA-N 2 2 284.787 2.138 50 0 CEAALP COc1cc(C[N@H+]2CC[C@@H](C[NH3+])C2)cc(Cl)c1OC ZINC000097679752 364515663 /nfs/dbraw/zinc/51/56/63/364515663.db2.gz RXUIOEZHDJAPKJ-JTQLQIEISA-N 2 2 284.787 2.138 50 0 CEAALP C[C@](O)(C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1)C(F)(F)F ZINC000241132831 291341310 /nfs/dbraw/zinc/34/13/10/291341310.db2.gz JLZUANGPJBZBJM-STQMWFEESA-N 2 2 294.361 2.250 50 0 CEAALP C[C@](O)(C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1)C(F)(F)F ZINC000241132831 291341312 /nfs/dbraw/zinc/34/13/12/291341312.db2.gz JLZUANGPJBZBJM-STQMWFEESA-N 2 2 294.361 2.250 50 0 CEAALP CSCc1noc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)n1 ZINC000244899963 370804625 /nfs/dbraw/zinc/80/46/25/370804625.db2.gz ZTPODAHFIFTUNR-SNVBAGLBSA-N 2 2 293.396 2.035 50 0 CEAALP CSCc1noc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)n1 ZINC000244899963 370804628 /nfs/dbraw/zinc/80/46/28/370804628.db2.gz ZTPODAHFIFTUNR-SNVBAGLBSA-N 2 2 293.396 2.035 50 0 CEAALP C[C@@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)[C@@H](C)CO1 ZINC000225224619 370286855 /nfs/dbraw/zinc/28/68/55/370286855.db2.gz BCYWIAHFGXEMCZ-UONOGXRCSA-N 2 2 271.364 2.482 50 0 CEAALP C[C@@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)[C@@H](C)CO1 ZINC000225224619 370286858 /nfs/dbraw/zinc/28/68/58/370286858.db2.gz BCYWIAHFGXEMCZ-UONOGXRCSA-N 2 2 271.364 2.482 50 0 CEAALP CC1=[NH+]CC[NH2+]C(C)(C)CC(C)=[NH+]CCNC(C)(C)C1 ZINC000252604649 371459111 /nfs/dbraw/zinc/45/91/11/371459111.db2.gz GCDVVDACUSFVPY-UHFFFAOYSA-N 3 2 280.460 2.438 50 0 CEAALP CCc1c[nH+]c(N)nc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC000091871998 394659459 /nfs/dbraw/zinc/65/94/59/394659459.db2.gz ATNQWHZUIBVPNP-UHFFFAOYSA-N 2 2 289.427 2.076 50 0 CEAALP CCc1c[nH+]c(N)nc1N1CCC[N@H+](C2CCCC2)CC1 ZINC000091871998 394659464 /nfs/dbraw/zinc/65/94/64/394659464.db2.gz ATNQWHZUIBVPNP-UHFFFAOYSA-N 2 2 289.427 2.076 50 0 CEAALP Cc1n[nH]cc1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000035274052 172094661 /nfs/dbraw/zinc/09/46/61/172094661.db2.gz ZWBCAJYHPXCVLT-UHFFFAOYSA-N 2 2 284.407 2.472 50 0 CEAALP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCc2ccccc2C1 ZINC000035275450 172095468 /nfs/dbraw/zinc/09/54/68/172095468.db2.gz AMLBEZXBEXIDOM-BBRMVZONSA-N 2 2 255.365 2.419 50 0 CEAALP COc1cccc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1OC ZINC000072172755 176333474 /nfs/dbraw/zinc/33/34/74/176333474.db2.gz NKUYAZRISCZEEP-QGZVFWFLSA-N 2 2 290.407 2.279 50 0 CEAALP COc1cccc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1OC ZINC000072172755 176333476 /nfs/dbraw/zinc/33/34/76/176333476.db2.gz NKUYAZRISCZEEP-QGZVFWFLSA-N 2 2 290.407 2.279 50 0 CEAALP O[C@]1(C[NH+]2CCCC2)CCC[N@H+](Cc2ccsc2)C1 ZINC000077470914 177272545 /nfs/dbraw/zinc/27/25/45/177272545.db2.gz HFSMFOVHALJKNR-HNNXBMFYSA-N 2 2 280.437 2.171 50 0 CEAALP O[C@]1(C[NH+]2CCCC2)CCC[N@@H+](Cc2ccsc2)C1 ZINC000077470914 177272546 /nfs/dbraw/zinc/27/25/46/177272546.db2.gz HFSMFOVHALJKNR-HNNXBMFYSA-N 2 2 280.437 2.171 50 0 CEAALP c1[nH+]cn(Cc2ccccc2)c1CN1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC000534630862 328331390 /nfs/dbraw/zinc/33/13/90/328331390.db2.gz MNJKALJNXNNIJI-IRXDYDNUSA-N 2 2 296.418 2.115 50 0 CEAALP CCC[NH+]1CCC([NH2+]Cc2ncccc2F)CC1 ZINC000096491735 528204360 /nfs/dbraw/zinc/20/43/60/528204360.db2.gz OAOFMGOKPMXLII-UHFFFAOYSA-N 2 2 251.349 2.185 50 0 CEAALP C[NH+](C)C1(CNc2ccc(Cl)cn2)CC[NH+](C)CC1 ZINC000823759374 810627834 /nfs/dbraw/zinc/62/78/34/810627834.db2.gz CFOQWJVISNLKLC-UHFFFAOYSA-N 2 2 282.819 2.173 50 0 CEAALP Cc1cc(N2CC[NH+](C(C)C)CC2)nc(C(C)C)[nH+]1 ZINC000032797346 361757066 /nfs/dbraw/zinc/75/70/66/361757066.db2.gz ZZOVISXXYUEJQT-UHFFFAOYSA-N 2 2 262.401 2.439 50 0 CEAALP C[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+]C1CCOCC1 ZINC000097034840 185157079 /nfs/dbraw/zinc/15/70/79/185157079.db2.gz WMCMCKFJZLZMBU-AWEZNQCLSA-N 2 2 262.397 2.276 50 0 CEAALP C[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C1CCOCC1 ZINC000097034840 185157081 /nfs/dbraw/zinc/15/70/81/185157081.db2.gz WMCMCKFJZLZMBU-AWEZNQCLSA-N 2 2 262.397 2.276 50 0 CEAALP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1noc(C2CCCC2)n1 ZINC000067558909 362911633 /nfs/dbraw/zinc/91/16/33/362911633.db2.gz NWARWSKNEXYKQE-NSHDSACASA-N 2 2 275.356 2.102 50 0 CEAALP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1noc(C2CCCC2)n1 ZINC000067558915 362912126 /nfs/dbraw/zinc/91/21/26/362912126.db2.gz NWARWSKNEXYKQE-LLVKDONJSA-N 2 2 275.356 2.102 50 0 CEAALP CC[NH+]1CCC([NH2+][C@H](C)c2ccc(F)cn2)CC1 ZINC000092196202 180341286 /nfs/dbraw/zinc/34/12/86/180341286.db2.gz XFBGNZWWJMLKMF-LLVKDONJSA-N 2 2 251.349 2.356 50 0 CEAALP C[C@H]1C[N@H+](CCc2ccccc2)CCN1Cc1[nH+]ccn1C ZINC000069616302 362983957 /nfs/dbraw/zinc/98/39/57/362983957.db2.gz ZYDDAEQPJRUFBJ-INIZCTEOSA-N 2 2 298.434 2.169 50 0 CEAALP C[C@H]1C[N@@H+](CCc2ccccc2)CCN1Cc1[nH+]ccn1C ZINC000069616302 362983964 /nfs/dbraw/zinc/98/39/64/362983964.db2.gz ZYDDAEQPJRUFBJ-INIZCTEOSA-N 2 2 298.434 2.169 50 0 CEAALP Cc1cccc(N2CC[C@H](Oc3cc[nH+]cc3)C2)[nH+]1 ZINC000157994461 188351455 /nfs/dbraw/zinc/35/14/55/188351455.db2.gz UBPQADFBBJVVAG-AWEZNQCLSA-N 2 2 255.321 2.443 50 0 CEAALP COc1ccc(OC)c(C[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000000199823 361143601 /nfs/dbraw/zinc/14/36/01/361143601.db2.gz GYCRAGNARVSKSR-UHFFFAOYSA-N 2 2 278.396 2.230 50 0 CEAALP COc1ccc(OC)c(C[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000000199823 361143608 /nfs/dbraw/zinc/14/36/08/361143608.db2.gz GYCRAGNARVSKSR-UHFFFAOYSA-N 2 2 278.396 2.230 50 0 CEAALP Cc1[nH+]ccn1-c1ccc(NC(=O)[C@H]2CCC[N@H+]2C)cc1 ZINC000012316216 361377197 /nfs/dbraw/zinc/37/71/97/361377197.db2.gz KKGYTHVQDSHCIK-OAHLLOKOSA-N 2 2 284.363 2.213 50 0 CEAALP Cc1[nH+]ccn1-c1ccc(NC(=O)[C@H]2CCC[N@@H+]2C)cc1 ZINC000012316216 361377201 /nfs/dbraw/zinc/37/72/01/361377201.db2.gz KKGYTHVQDSHCIK-OAHLLOKOSA-N 2 2 284.363 2.213 50 0 CEAALP Cc1ncsc1C[NH2+]C[C@@H]1CCCn2cc[nH+]c21 ZINC000084066528 363796702 /nfs/dbraw/zinc/79/67/02/363796702.db2.gz PACVGAXGJBZIRW-NSHDSACASA-N 2 2 262.382 2.315 50 0 CEAALP c1cn(CCC[NH2+][C@H]2CCc3ccccc3C2)c[nH+]1 ZINC000023283371 361597380 /nfs/dbraw/zinc/59/73/80/361597380.db2.gz GOUVKSUTXNTGFP-INIZCTEOSA-N 2 2 255.365 2.420 50 0 CEAALP C[C@@H](c1ccccc1)[N@H+](C)Cc1cn(C2CC[NH2+]CC2)nn1 ZINC000023367517 361597930 /nfs/dbraw/zinc/59/79/30/361597930.db2.gz HZFQUVBDBVUFFZ-AWEZNQCLSA-N 2 2 299.422 2.396 50 0 CEAALP C[C@@H](c1ccccc1)[N@@H+](C)Cc1cn(C2CC[NH2+]CC2)nn1 ZINC000023367517 361597934 /nfs/dbraw/zinc/59/79/34/361597934.db2.gz HZFQUVBDBVUFFZ-AWEZNQCLSA-N 2 2 299.422 2.396 50 0 CEAALP Cc1ccc([C@@H](O)C[NH2+]Cc2cccc3[nH+]ccn32)cc1 ZINC000089629840 363984525 /nfs/dbraw/zinc/98/45/25/363984525.db2.gz DJSZQSCTEOZRMW-INIZCTEOSA-N 2 2 281.359 2.466 50 0 CEAALP C[C@@H]([NH3+])[C@@H]1C[N@H+](CC(C)(C)c2ccccc2)CCO1 ZINC000097095739 364447377 /nfs/dbraw/zinc/44/73/77/364447377.db2.gz BLWQGQKGTXEYQR-HIFRSBDPSA-N 2 2 262.397 2.012 50 0 CEAALP C[C@@H]([NH3+])[C@@H]1C[N@@H+](CC(C)(C)c2ccccc2)CCO1 ZINC000097095739 364447380 /nfs/dbraw/zinc/44/73/80/364447380.db2.gz BLWQGQKGTXEYQR-HIFRSBDPSA-N 2 2 262.397 2.012 50 0 CEAALP Cc1ccc(NC[C@H]2CC[N@H+](CCn3cccn3)C2)[nH+]c1 ZINC000097200526 364476161 /nfs/dbraw/zinc/47/61/61/364476161.db2.gz VZWYZEWPOLGCAQ-OAHLLOKOSA-N 2 2 285.395 2.021 50 0 CEAALP Cc1ccc(NC[C@H]2CC[N@@H+](CCn3cccn3)C2)[nH+]c1 ZINC000097200526 364476169 /nfs/dbraw/zinc/47/61/69/364476169.db2.gz VZWYZEWPOLGCAQ-OAHLLOKOSA-N 2 2 285.395 2.021 50 0 CEAALP C[NH+](C)Cc1ccccc1C[N@H+](C)Cc1ncc[nH]1 ZINC000215647507 370178445 /nfs/dbraw/zinc/17/84/45/370178445.db2.gz QGTKCRONIWJIEG-UHFFFAOYSA-N 2 2 258.369 2.103 50 0 CEAALP C[NH+](C)Cc1ccccc1C[N@@H+](C)Cc1ncc[nH]1 ZINC000215647507 370178450 /nfs/dbraw/zinc/17/84/50/370178450.db2.gz QGTKCRONIWJIEG-UHFFFAOYSA-N 2 2 258.369 2.103 50 0 CEAALP CN(Cc1[nH]cc[nH+]1)Cc1ccccc1C[NH+](C)C ZINC000215647507 370178452 /nfs/dbraw/zinc/17/84/52/370178452.db2.gz QGTKCRONIWJIEG-UHFFFAOYSA-N 2 2 258.369 2.103 50 0 CEAALP CCO[C@@H]1C[C@H]([NH2+][C@H]2C[N@H+](C)C[C@@H]2C)C12CCCC2 ZINC000252511545 371451060 /nfs/dbraw/zinc/45/10/60/371451060.db2.gz HWRPGXWRFXTTMB-ZQDZILKHSA-N 2 2 266.429 2.264 50 0 CEAALP CCO[C@@H]1C[C@H]([NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)C12CCCC2 ZINC000252511545 371451066 /nfs/dbraw/zinc/45/10/66/371451066.db2.gz HWRPGXWRFXTTMB-ZQDZILKHSA-N 2 2 266.429 2.264 50 0 CEAALP C[NH+](C)Cc1ccc(C(=O)NCc2c[nH+]cn2C2CC2)cc1 ZINC000426647864 377426769 /nfs/dbraw/zinc/42/67/69/377426769.db2.gz DAQISZUAIZEJJG-UHFFFAOYSA-N 2 2 298.390 2.210 50 0 CEAALP C[C@@H]1CCCN(c2cc(N[C@H]3CC[C@H](C[NH3+])C3)[nH+]cn2)C1 ZINC000333629337 377807673 /nfs/dbraw/zinc/80/76/73/377807673.db2.gz GHLUQRYTOIHWFI-RDBSUJKOSA-N 2 2 289.427 2.252 50 0 CEAALP C[C@@H]1CCCN(c2cc(N[C@H]3CC[C@H](C[NH3+])C3)nc[nH+]2)C1 ZINC000333629337 377807680 /nfs/dbraw/zinc/80/76/80/377807680.db2.gz GHLUQRYTOIHWFI-RDBSUJKOSA-N 2 2 289.427 2.252 50 0 CEAALP Cc1cnccc1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000244872991 394496534 /nfs/dbraw/zinc/49/65/34/394496534.db2.gz WHZRSFZGHXJKHP-CQSZACIVSA-N 2 2 256.353 2.493 50 0 CEAALP Cc1cnccc1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000244872991 394496537 /nfs/dbraw/zinc/49/65/37/394496537.db2.gz WHZRSFZGHXJKHP-CQSZACIVSA-N 2 2 256.353 2.493 50 0 CEAALP CCOc1cccc(C[NH2+]CCCn2cc[nH+]c2)c1 ZINC000010314061 170404063 /nfs/dbraw/zinc/40/40/63/170404063.db2.gz LEDRJKMQSUROKH-UHFFFAOYSA-N 2 2 259.353 2.462 50 0 CEAALP COc1cc(Cl)cc(C[NH2+]CCC[NH+](C)C)c1OC ZINC000040719433 174385374 /nfs/dbraw/zinc/38/53/74/174385374.db2.gz QELQMLGNVKNRFY-UHFFFAOYSA-N 2 2 286.803 2.399 50 0 CEAALP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H]2CCC[N@H+]2C)o1 ZINC000065513676 175745899 /nfs/dbraw/zinc/74/58/99/175745899.db2.gz AYZHETBRCCHMJF-ZDUSSCGKSA-N 2 2 274.368 2.162 50 0 CEAALP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H]2CCC[N@@H+]2C)o1 ZINC000065513676 175745900 /nfs/dbraw/zinc/74/59/00/175745900.db2.gz AYZHETBRCCHMJF-ZDUSSCGKSA-N 2 2 274.368 2.162 50 0 CEAALP Cc1cc(Nc2ncccn2)cc([C@H]2CCC[NH2+]C2)[nH+]1 ZINC000077010994 177146780 /nfs/dbraw/zinc/14/67/80/177146780.db2.gz NTKKOVYUHRFMQI-LBPRGKRZSA-N 2 2 269.352 2.391 50 0 CEAALP C[C@H](C[N@H+](C)CCO)[NH2+]C1(Cc2ccc(Cl)cc2)CC1 ZINC000534645439 328330566 /nfs/dbraw/zinc/33/05/66/328330566.db2.gz ZNLIHIREQWUVAP-CYBMUJFWSA-N 2 2 296.842 2.317 50 0 CEAALP C[C@H](C[N@@H+](C)CCO)[NH2+]C1(Cc2ccc(Cl)cc2)CC1 ZINC000534645439 328330567 /nfs/dbraw/zinc/33/05/67/328330567.db2.gz ZNLIHIREQWUVAP-CYBMUJFWSA-N 2 2 296.842 2.317 50 0 CEAALP Cc1nc[nH]c1C[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000054796360 525464139 /nfs/dbraw/zinc/46/41/39/525464139.db2.gz PBIUNPSBHOECIY-CYBMUJFWSA-N 2 2 261.373 2.119 50 0 CEAALP C[C@H](C1CCN(c2cc[nH+]cc2F)CC1)[NH+](C)C ZINC000096132823 628954765 /nfs/dbraw/zinc/95/47/65/628954765.db2.gz LMEFSWPZPBAKRW-LLVKDONJSA-N 2 2 251.349 2.387 50 0 CEAALP C[NH+](C)C1(CNc2nccc3cccnc32)CC[NH+](C)CC1 ZINC000823759525 810627931 /nfs/dbraw/zinc/62/79/31/810627931.db2.gz REWQYPSGHVCSQE-UHFFFAOYSA-N 2 2 299.422 2.068 50 0 CEAALP COC(=O)c1ccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)o1 ZINC000095962944 185044635 /nfs/dbraw/zinc/04/46/35/185044635.db2.gz MZSDPSJVEKTIOO-LLVKDONJSA-N 2 2 289.335 2.169 50 0 CEAALP COC(=O)c1ccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)o1 ZINC000095962944 185044637 /nfs/dbraw/zinc/04/46/37/185044637.db2.gz MZSDPSJVEKTIOO-LLVKDONJSA-N 2 2 289.335 2.169 50 0 CEAALP CC[NH+]1CCC([N@@H+]2CCC[C@@H](C[NH+]3CCCC3)C2)CC1 ZINC000032519473 361741263 /nfs/dbraw/zinc/74/12/63/361741263.db2.gz HPXFJKXNTJOCMD-INIZCTEOSA-N 3 2 279.472 2.279 50 0 CEAALP CC[NH+]1CCC([N@H+]2CCC[C@@H](C[NH+]3CCCC3)C2)CC1 ZINC000032519473 361741266 /nfs/dbraw/zinc/74/12/66/361741266.db2.gz HPXFJKXNTJOCMD-INIZCTEOSA-N 3 2 279.472 2.279 50 0 CEAALP COc1ccc(C[C@H](C)[NH2+]CCc2c[nH]c[nH+]2)cc1OC ZINC000023282746 343381703 /nfs/dbraw/zinc/38/17/03/343381703.db2.gz CDTKARHOTQUVNT-LBPRGKRZSA-N 2 2 289.379 2.190 50 0 CEAALP COc1ccc(C[C@H](C)[NH2+]CCc2c[nH+]c[nH]2)cc1OC ZINC000023282746 343381705 /nfs/dbraw/zinc/38/17/05/343381705.db2.gz CDTKARHOTQUVNT-LBPRGKRZSA-N 2 2 289.379 2.190 50 0 CEAALP Cc1[nH+]c2cc(C[NH2+][C@@H]3CCSC3)ccc2n1C ZINC000584893210 345000943 /nfs/dbraw/zinc/00/09/43/345000943.db2.gz PZGCUMWPMCWHJQ-GFCCVEGCSA-N 2 2 261.394 2.477 50 0 CEAALP Nc1cc(-c2ccccc2C[NH+]2CCOCC2)cc[nH+]1 ZINC000065375394 362812259 /nfs/dbraw/zinc/81/22/59/362812259.db2.gz BOYCAEQFIJMALZ-UHFFFAOYSA-N 2 2 269.348 2.163 50 0 CEAALP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cccc(-n2cccn2)c1 ZINC000067435318 362907051 /nfs/dbraw/zinc/90/70/51/362907051.db2.gz YJGZMVABNRTAMG-CQSZACIVSA-N 2 2 281.363 2.247 50 0 CEAALP Cc1cccn2c(C[NH2+][C@@H](C)Cn3cc[nH+]c3)cnc12 ZINC000067773563 362924832 /nfs/dbraw/zinc/92/48/32/362924832.db2.gz QHXMBASENOIAEZ-ZDUSSCGKSA-N 2 2 269.352 2.018 50 0 CEAALP c1cn(-c2ccc(C[NH+]3CCC4(CC3)OCCO4)cc2)c[nH+]1 ZINC000069415189 362965545 /nfs/dbraw/zinc/96/55/45/362965545.db2.gz QXJVNHJZGLUSAS-UHFFFAOYSA-N 2 2 299.374 2.211 50 0 CEAALP CS[C@@H]1CCC[C@H]1[N@H+](C)CCCn1cc[nH+]c1 ZINC000110707698 186314901 /nfs/dbraw/zinc/31/49/01/186314901.db2.gz PISAEYPAHKZEIZ-CHWSQXEVSA-N 2 2 253.415 2.489 50 0 CEAALP CS[C@@H]1CCC[C@H]1[N@@H+](C)CCCn1cc[nH+]c1 ZINC000110707698 186314903 /nfs/dbraw/zinc/31/49/03/186314903.db2.gz PISAEYPAHKZEIZ-CHWSQXEVSA-N 2 2 253.415 2.489 50 0 CEAALP Clc1ccc(C[NH2+]CCC[NH+]2CCOCC2)cc1 ZINC000002380321 361233402 /nfs/dbraw/zinc/23/34/02/361233402.db2.gz FHZMROFZJOZQIU-UHFFFAOYSA-N 2 2 268.788 2.152 50 0 CEAALP CC1(C)NC(=[NH2+])NC(Nc2ccc(Br)cc2)=[NH+]1 ZINC000003328188 361274616 /nfs/dbraw/zinc/27/46/16/361274616.db2.gz NZEZISMBIMCMOR-UHFFFAOYSA-N 2 2 296.172 2.081 50 0 aggregator CEAALP COc1ccc(OC)c(C[NH2+]CC(C)(C)C[NH+](C)C)c1 ZINC000019905893 361565789 /nfs/dbraw/zinc/56/57/89/361565789.db2.gz MAJCRTDQKQEDHC-UHFFFAOYSA-N 2 2 280.412 2.381 50 0 CEAALP Cn1c(C[NH2+]C[C@H]2CCCn3cc[nH+]c32)nc2ccccc21 ZINC000084314070 363808416 /nfs/dbraw/zinc/80/84/16/363808416.db2.gz HGRXOZBTXBYWTD-CYBMUJFWSA-N 2 2 295.390 2.437 50 0 CEAALP Cc1nc(N2CC[C@H]([NH+]3CCCCC3)C2)c(C)c(C)[nH+]1 ZINC000091425815 364071158 /nfs/dbraw/zinc/07/11/58/364071158.db2.gz PFJOFTMWAZGXCQ-HNNXBMFYSA-N 2 2 274.412 2.466 50 0 CEAALP Cc1cc(NCCCC[NH+]2C[C@H](C)O[C@@H](C)C2)nc[nH+]1 ZINC000095413836 364365283 /nfs/dbraw/zinc/36/52/83/364365283.db2.gz VUKCKHFVUNZBMO-KBPBESRZSA-N 2 2 278.400 2.086 50 0 CEAALP C[NH2+][C@H]1CC[N@@H+]([C@H](C)CCc2ccc3c(c2)OCO3)C1 ZINC000097229215 364480960 /nfs/dbraw/zinc/48/09/60/364480960.db2.gz DQHRZGXCRYKTQL-OCCSQVGLSA-N 2 2 276.380 2.030 50 0 CEAALP C[NH2+][C@H]1CC[N@H+]([C@H](C)CCc2ccc3c(c2)OCO3)C1 ZINC000097229215 364480965 /nfs/dbraw/zinc/48/09/65/364480965.db2.gz DQHRZGXCRYKTQL-OCCSQVGLSA-N 2 2 276.380 2.030 50 0 CEAALP CCn1cc[nH+]c1CN1C[C@H]2CC[C@H](C[N@@H+]2CC2CC2)C1 ZINC000244685581 370794899 /nfs/dbraw/zinc/79/48/99/370794899.db2.gz ISRDNOAYMRDMJV-JKSUJKDBSA-N 2 2 288.439 2.209 50 0 CEAALP C[N@H+]1C[C@@H]2C[NH+](Cc3ccc(F)c(Cl)c3)C[C@@H]2C1 ZINC000193596756 369959494 /nfs/dbraw/zinc/95/94/94/369959494.db2.gz YVRSJGDVYKPAGT-TXEJJXNPSA-N 2 2 268.763 2.473 50 0 CEAALP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(F)c(Cl)c3)C[C@@H]2C1 ZINC000193596756 369959500 /nfs/dbraw/zinc/95/95/00/369959500.db2.gz YVRSJGDVYKPAGT-TXEJJXNPSA-N 2 2 268.763 2.473 50 0 CEAALP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(F)c(Cl)c3)C[C@@H]2C1 ZINC000193596756 369959506 /nfs/dbraw/zinc/95/95/06/369959506.db2.gz YVRSJGDVYKPAGT-TXEJJXNPSA-N 2 2 268.763 2.473 50 0 CEAALP C[NH+]1C[C@@H]2C[N@H+](Cc3ccc(F)c(Cl)c3)C[C@@H]2C1 ZINC000193596756 369959510 /nfs/dbraw/zinc/95/95/10/369959510.db2.gz YVRSJGDVYKPAGT-TXEJJXNPSA-N 2 2 268.763 2.473 50 0 CEAALP C[NH+](C)Cc1csc(C[N@H+](C)CCn2cc[nH+]c2)c1 ZINC000215290606 370175047 /nfs/dbraw/zinc/17/50/47/370175047.db2.gz UUWOICIHPLUKMS-UHFFFAOYSA-N 3 2 278.425 2.138 50 0 CEAALP C[NH+](C)Cc1csc(C[N@@H+](C)CCn2cc[nH+]c2)c1 ZINC000215290606 370175052 /nfs/dbraw/zinc/17/50/52/370175052.db2.gz UUWOICIHPLUKMS-UHFFFAOYSA-N 3 2 278.425 2.138 50 0 CEAALP COc1cc(F)c(C[N@H+](C)C[C@H]2CC[NH+](C)C2)cc1OC ZINC000216152354 370183890 /nfs/dbraw/zinc/18/38/90/370183890.db2.gz OVMBETNXCRPVBA-LBPRGKRZSA-N 2 2 296.386 2.226 50 0 CEAALP COc1cc(F)c(C[N@@H+](C)C[C@H]2CC[NH+](C)C2)cc1OC ZINC000216152354 370183896 /nfs/dbraw/zinc/18/38/96/370183896.db2.gz OVMBETNXCRPVBA-LBPRGKRZSA-N 2 2 296.386 2.226 50 0 CEAALP COc1cc(F)c(C[NH+](C)C[C@H]2CC[N@H+](C)C2)cc1OC ZINC000216152354 370183900 /nfs/dbraw/zinc/18/39/00/370183900.db2.gz OVMBETNXCRPVBA-LBPRGKRZSA-N 2 2 296.386 2.226 50 0 CEAALP COc1cc(F)c(C[NH+](C)C[C@H]2CC[N@@H+](C)C2)cc1OC ZINC000216152354 370183905 /nfs/dbraw/zinc/18/39/05/370183905.db2.gz OVMBETNXCRPVBA-LBPRGKRZSA-N 2 2 296.386 2.226 50 0 CEAALP C[N@H+](C/C=C/c1ccccc1)Cc1cc2n(n1)CC[NH2+]C2 ZINC000216071475 394450932 /nfs/dbraw/zinc/45/09/32/394450932.db2.gz GJXGDKLVAUXSEH-VMPITWQZSA-N 2 2 282.391 2.132 50 0 CEAALP C[N@@H+](C/C=C/c1ccccc1)Cc1cc2n(n1)CC[NH2+]C2 ZINC000216071475 394450936 /nfs/dbraw/zinc/45/09/36/394450936.db2.gz GJXGDKLVAUXSEH-VMPITWQZSA-N 2 2 282.391 2.132 50 0 CEAALP [NH3+]C[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000016941927 394466783 /nfs/dbraw/zinc/46/67/83/394466783.db2.gz MGIDJIAQVXHRBE-QGZVFWFLSA-N 3 2 287.451 2.322 50 0 CEAALP [NH3+]C[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000016941927 394466787 /nfs/dbraw/zinc/46/67/87/394466787.db2.gz MGIDJIAQVXHRBE-QGZVFWFLSA-N 3 2 287.451 2.322 50 0 CEAALP CC1=C(C[N@@H+]2CCO[C@@H](C[NH3+])C2)C(C)(C)CCC1 ZINC000426662316 395077352 /nfs/dbraw/zinc/07/73/52/395077352.db2.gz RXPWOUAVJUMZJF-ZDUSSCGKSA-N 2 2 252.402 2.173 50 0 CEAALP CC1=C(C[N@H+]2CCO[C@@H](C[NH3+])C2)C(C)(C)CCC1 ZINC000426662316 395077360 /nfs/dbraw/zinc/07/73/60/395077360.db2.gz RXPWOUAVJUMZJF-ZDUSSCGKSA-N 2 2 252.402 2.173 50 0 CEAALP C[N@@H+](Cc1cnn(-c2ccc(F)cc2)c1)C[C@@H]1CC[NH2+]C1 ZINC000072125564 176320440 /nfs/dbraw/zinc/32/04/40/176320440.db2.gz NWCYXIZGNBXSHJ-CYBMUJFWSA-N 2 2 288.370 2.053 50 0 CEAALP C[N@H+](Cc1cnn(-c2ccc(F)cc2)c1)C[C@@H]1CC[NH2+]C1 ZINC000072125564 176320441 /nfs/dbraw/zinc/32/04/41/176320441.db2.gz NWCYXIZGNBXSHJ-CYBMUJFWSA-N 2 2 288.370 2.053 50 0 CEAALP CCc1nnc(C[N@H+](C)C[C@@H]2CCC[NH+]3CCCC[C@H]23)o1 ZINC000072161686 176329833 /nfs/dbraw/zinc/32/98/33/176329833.db2.gz GDIDREBOKHNKMU-UONOGXRCSA-N 2 2 292.427 2.328 50 0 CEAALP CCc1nnc(C[N@@H+](C)C[C@@H]2CCC[NH+]3CCCC[C@H]23)o1 ZINC000072161686 176329835 /nfs/dbraw/zinc/32/98/35/176329835.db2.gz GDIDREBOKHNKMU-UONOGXRCSA-N 2 2 292.427 2.328 50 0 CEAALP CCc1nnc(C[NH+](C)C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)o1 ZINC000072161686 176329836 /nfs/dbraw/zinc/32/98/36/176329836.db2.gz GDIDREBOKHNKMU-UONOGXRCSA-N 2 2 292.427 2.328 50 0 CEAALP CCc1nnc(C[NH+](C)C[C@@H]2CCC[N@H+]3CCCC[C@H]23)o1 ZINC000072161686 176329838 /nfs/dbraw/zinc/32/98/38/176329838.db2.gz GDIDREBOKHNKMU-UONOGXRCSA-N 2 2 292.427 2.328 50 0 CEAALP Cc1c[nH+]ccc1NCCn1cc[nH+]c1[C@H]1CCOC1 ZINC000072169134 176332449 /nfs/dbraw/zinc/33/24/49/176332449.db2.gz ZPKHROYUSXFPRB-ZDUSSCGKSA-N 2 2 272.352 2.203 50 0 CEAALP COC(=O)[C@@H](C)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000051793689 362438221 /nfs/dbraw/zinc/43/82/21/362438221.db2.gz CEOXRIFYQCXAEE-CQSZACIVSA-N 2 2 282.428 2.136 50 0 CEAALP c1cc(C[NH+]2CCC([NH2+][C@H]3CCSC3)CC2)ccn1 ZINC000584886923 344998273 /nfs/dbraw/zinc/99/82/73/344998273.db2.gz FQWINHMOWMKKQQ-HNNXBMFYSA-N 2 2 277.437 2.141 50 0 CEAALP Cc1nc(NCC[N@@H+]2CCCC[C@@H]2CO)cc(C(C)C)[nH+]1 ZINC000065383907 362813739 /nfs/dbraw/zinc/81/37/39/362813739.db2.gz ADENQBPKQNGXGX-CQSZACIVSA-N 2 2 292.427 2.167 50 0 CEAALP Cc1nc(NCC[N@H+]2CCCC[C@@H]2CO)cc(C(C)C)[nH+]1 ZINC000065383907 362813744 /nfs/dbraw/zinc/81/37/44/362813744.db2.gz ADENQBPKQNGXGX-CQSZACIVSA-N 2 2 292.427 2.167 50 0 CEAALP COc1cc(C)ccc1OCC[N@@H+]1C[C@H]([NH3+])[C@@H](C2CC2)C1 ZINC000091460589 180161308 /nfs/dbraw/zinc/16/13/08/180161308.db2.gz XEMASBYZVSLEKT-CABCVRRESA-N 2 2 290.407 2.052 50 0 CEAALP COc1cc(C)ccc1OCC[N@H+]1C[C@H]([NH3+])[C@@H](C2CC2)C1 ZINC000091460589 180161309 /nfs/dbraw/zinc/16/13/09/180161309.db2.gz XEMASBYZVSLEKT-CABCVRRESA-N 2 2 290.407 2.052 50 0 CEAALP C/C=C(\C)C[N@@H+]1C[C@H]([NH3+])[C@@H](c2cccc(OC)c2)C1 ZINC000092028859 180309090 /nfs/dbraw/zinc/30/90/90/180309090.db2.gz COEAGCMLXDBALL-WVYBSRFASA-N 2 2 260.381 2.388 50 0 CEAALP C/C=C(\C)C[N@H+]1C[C@H]([NH3+])[C@@H](c2cccc(OC)c2)C1 ZINC000092028859 180309091 /nfs/dbraw/zinc/30/90/91/180309091.db2.gz COEAGCMLXDBALL-WVYBSRFASA-N 2 2 260.381 2.388 50 0 CEAALP C[C@@H](O)c1cccc(N2CCC(c3[nH]cc[nH+]3)CC2)[nH+]1 ZINC000072473948 363137486 /nfs/dbraw/zinc/13/74/86/363137486.db2.gz MCAMGGFIOFZNDC-LLVKDONJSA-N 2 2 272.352 2.242 50 0 CEAALP C[C@H](O)c1cccc(N2CCC(c3[nH]cc[nH+]3)CC2)[nH+]1 ZINC000072473947 363137657 /nfs/dbraw/zinc/13/76/57/363137657.db2.gz MCAMGGFIOFZNDC-NSHDSACASA-N 2 2 272.352 2.242 50 0 CEAALP CC1(C[NH+]2CCC(Cn3cc[nH+]c3)CC2)CCOCC1 ZINC000670444326 540412386 /nfs/dbraw/zinc/41/23/86/540412386.db2.gz UYZDBXYQOIBNGP-UHFFFAOYSA-N 2 2 277.412 2.412 50 0 CEAALP Cc1[nH+]ccn1-c1ccc(NC(=O)[C@@H]2CCC[N@H+]2C)cc1 ZINC000012316217 361377680 /nfs/dbraw/zinc/37/76/80/361377680.db2.gz KKGYTHVQDSHCIK-HNNXBMFYSA-N 2 2 284.363 2.213 50 0 CEAALP Cc1[nH+]ccn1-c1ccc(NC(=O)[C@@H]2CCC[N@@H+]2C)cc1 ZINC000012316217 361377684 /nfs/dbraw/zinc/37/76/84/361377684.db2.gz KKGYTHVQDSHCIK-HNNXBMFYSA-N 2 2 284.363 2.213 50 0 CEAALP Cn1c(C[NH2+]C[C@@H]2CCCn3cc[nH+]c32)nc2ccccc21 ZINC000084314067 363808848 /nfs/dbraw/zinc/80/88/48/363808848.db2.gz HGRXOZBTXBYWTD-ZDUSSCGKSA-N 2 2 295.390 2.437 50 0 CEAALP C[NH+](C)CC(=O)Nc1cccc(CNc2cccc[nH+]2)c1 ZINC000089314180 363955950 /nfs/dbraw/zinc/95/59/50/363955950.db2.gz ZNDZVLBRSDDIKA-UHFFFAOYSA-N 2 2 284.363 2.194 50 0 CEAALP CC[N@H+](CCn1cc[nH+]c1)Cc1ccc2c(c1)OCO2 ZINC000089969240 364023948 /nfs/dbraw/zinc/02/39/48/364023948.db2.gz DXAIKLPDMVRNIV-UHFFFAOYSA-N 2 2 273.336 2.134 50 0 CEAALP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc2c(c1)OCO2 ZINC000089969240 364023949 /nfs/dbraw/zinc/02/39/49/364023949.db2.gz DXAIKLPDMVRNIV-UHFFFAOYSA-N 2 2 273.336 2.134 50 0 CEAALP Cc1cc(C)n(C[C@H](C)C[NH2+][C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)n1 ZINC000095420427 364368277 /nfs/dbraw/zinc/36/82/77/364368277.db2.gz BVZMLXMXDRUCTQ-IVMMDQJWSA-N 2 2 290.455 2.351 50 0 CEAALP Cc1cc(C)n(C[C@H](C)C[NH2+][C@@H]2C[C@H](C)[N@H+](C3CC3)C2)n1 ZINC000095420427 364368280 /nfs/dbraw/zinc/36/82/80/364368280.db2.gz BVZMLXMXDRUCTQ-IVMMDQJWSA-N 2 2 290.455 2.351 50 0 CEAALP Cc1ncccc1C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000097103955 364451341 /nfs/dbraw/zinc/45/13/41/364451341.db2.gz UBCJTNYOZPBKIM-OAHLLOKOSA-N 2 2 256.353 2.251 50 0 CEAALP Cc1ncccc1C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000097103955 364451348 /nfs/dbraw/zinc/45/13/48/364451348.db2.gz UBCJTNYOZPBKIM-OAHLLOKOSA-N 2 2 256.353 2.251 50 0 CEAALP Cc1[nH+]ccn1CCC[NH+]1CC(Oc2ccc(F)cc2)C1 ZINC000244723998 370797927 /nfs/dbraw/zinc/79/79/27/370797927.db2.gz MLVIJMOCPNUWEC-UHFFFAOYSA-N 2 2 289.354 2.484 50 0 CEAALP C[N@@H+]1CCC[C@H]1C[NH2+]Cc1c[nH]nc1-c1ccccc1 ZINC000166401857 367322771 /nfs/dbraw/zinc/32/27/71/367322771.db2.gz SOGHHYXISASOKQ-HNNXBMFYSA-N 2 2 270.380 2.261 50 0 CEAALP C[N@H+]1CCC[C@H]1C[NH2+]Cc1c[nH]nc1-c1ccccc1 ZINC000166401857 367322778 /nfs/dbraw/zinc/32/27/78/367322778.db2.gz SOGHHYXISASOKQ-HNNXBMFYSA-N 2 2 270.380 2.261 50 0 CEAALP CCC[C@@H](C)[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000192735026 369847480 /nfs/dbraw/zinc/84/74/80/369847480.db2.gz GUXXNIKKVQHSPM-OAHLLOKOSA-N 2 2 278.444 2.468 50 0 CEAALP CCC[C@@H](C)[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000192735026 369847482 /nfs/dbraw/zinc/84/74/82/369847482.db2.gz GUXXNIKKVQHSPM-OAHLLOKOSA-N 2 2 278.444 2.468 50 0 CEAALP CCOC(=O)[C@H](CC)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000245453457 394499532 /nfs/dbraw/zinc/49/95/32/394499532.db2.gz RDXRPOFFSFBJKW-CABCVRRESA-N 2 2 282.428 2.278 50 0 CEAALP CCOC(=O)[C@H](CC)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000245453457 394499538 /nfs/dbraw/zinc/49/95/38/394499538.db2.gz RDXRPOFFSFBJKW-CABCVRRESA-N 2 2 282.428 2.278 50 0 CEAALP CCOC(=O)[C@@H](CC)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000245453458 394499574 /nfs/dbraw/zinc/49/95/74/394499574.db2.gz RDXRPOFFSFBJKW-HUUCEWRRSA-N 2 2 282.428 2.278 50 0 CEAALP CCOC(=O)[C@@H](CC)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000245453458 394499578 /nfs/dbraw/zinc/49/95/78/394499578.db2.gz RDXRPOFFSFBJKW-HUUCEWRRSA-N 2 2 282.428 2.278 50 0 CEAALP Cc1cc2ccccc2c(N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)[nH+]1 ZINC000095994747 394675272 /nfs/dbraw/zinc/67/52/72/394675272.db2.gz XVVPNCUHPAFWMZ-HUUCEWRRSA-N 2 2 299.418 2.435 50 0 CEAALP Cc1cc2ccccc2c(N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)[nH+]1 ZINC000095994747 394675276 /nfs/dbraw/zinc/67/52/76/394675276.db2.gz XVVPNCUHPAFWMZ-HUUCEWRRSA-N 2 2 299.418 2.435 50 0 CEAALP Cc1noc(C)c1C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000020253393 171105613 /nfs/dbraw/zinc/10/56/13/171105613.db2.gz HMSIFHSYCBUXFN-UHFFFAOYSA-N 2 2 251.374 2.254 50 0 CEAALP Cc1[nH+]c[nH]c1CN(Cc1cccnc1)C1CC[NH+](C)CC1 ZINC000072134711 176322260 /nfs/dbraw/zinc/32/22/60/176322260.db2.gz RXKUBSLSIPARSM-UHFFFAOYSA-N 2 2 299.422 2.210 50 0 CEAALP Cc1c[nH]c([C@H](C)[NH2+]C2CC[NH+](CC(C)C)CC2)n1 ZINC000534672410 328348016 /nfs/dbraw/zinc/34/80/16/328348016.db2.gz SQTHLKFFXMSUCX-ZDUSSCGKSA-N 2 2 264.417 2.489 50 0 CEAALP Cc1[nH+]ccn1C[C@@H](C)[NH+]1CCN(c2cc[nH+]cc2C)CC1 ZINC000821758639 810572388 /nfs/dbraw/zinc/57/23/88/810572388.db2.gz UJIWGDKHUWFCKA-OAHLLOKOSA-N 3 2 299.422 2.106 50 0 CEAALP Nc1nc(NCC2=CCCCC2)cc(C2CC([NH3+])C2)[nH+]1 ZINC000219924140 230397231 /nfs/dbraw/zinc/39/72/31/230397231.db2.gz QVPMRSSAVUASDQ-UHFFFAOYSA-N 2 2 273.384 2.176 50 0 CEAALP Nc1nc(NC2CCCCCC2)cc(C2CC([NH3+])C2)[nH+]1 ZINC000223056609 230398944 /nfs/dbraw/zinc/39/89/44/230398944.db2.gz ZJJDDRSALMYAMQ-UHFFFAOYSA-N 2 2 275.400 2.398 50 0 CEAALP CCn1c2ccccc2nc1C[NH2+]C1CC[NH+](C)CC1 ZINC000037977282 361969713 /nfs/dbraw/zinc/96/97/13/361969713.db2.gz IQHBVDDAFZIJAL-UHFFFAOYSA-N 2 2 272.396 2.240 50 0 CEAALP Cc1nn(C)c(Cl)c1C[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000075818774 343868192 /nfs/dbraw/zinc/86/81/92/343868192.db2.gz NNNBRLAQMUCGHA-NSHDSACASA-N 2 2 284.835 2.203 50 0 CEAALP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1cccn1C)CCC2 ZINC000089702134 344128502 /nfs/dbraw/zinc/12/85/02/344128502.db2.gz BCPLYAHDIGFWOS-ZDUSSCGKSA-N 2 2 258.369 2.197 50 0 CEAALP CCc1[nH+]ccn1C[C@H](C)[NH2+]CC(C)(C)[NH+]1CCCC1 ZINC000584887787 344997997 /nfs/dbraw/zinc/99/79/97/344997997.db2.gz IGZLZICSSKIICO-AWEZNQCLSA-N 3 2 278.444 2.298 50 0 CEAALP c1cc(OC2CC[NH+]([C@@H]3CCSC3)CC2)cc[nH+]1 ZINC000584891494 345000177 /nfs/dbraw/zinc/00/01/77/345000177.db2.gz IFZIYRUBAGSSEM-GFCCVEGCSA-N 2 2 264.394 2.430 50 0 CEAALP Cc1ccccc1C[NH+]1CCN(Cc2[nH+]ccn2C)CC1 ZINC000057599128 362588156 /nfs/dbraw/zinc/58/81/56/362588156.db2.gz JROSUJRFWJDORW-UHFFFAOYSA-N 2 2 284.407 2.046 50 0 CEAALP CCc1c[nH+]c(C)nc1NC[C@@]1([NH+](C)C)CCSC1 ZINC000065435811 362822270 /nfs/dbraw/zinc/82/22/70/362822270.db2.gz BVQWDZSNTCWMHR-AWEZNQCLSA-N 2 2 280.441 2.197 50 0 CEAALP CCN(CC)[C@@H](C[NH2+]C1CC[NH+](C)CC1)c1ccco1 ZINC000065433320 362822914 /nfs/dbraw/zinc/82/29/14/362822914.db2.gz ZJIQCUFWXLILFO-HNNXBMFYSA-N 2 2 279.428 2.346 50 0 CEAALP C[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000065611753 362841749 /nfs/dbraw/zinc/84/17/49/362841749.db2.gz BCYWIAHFGXEMCZ-KGLIPLIRSA-N 2 2 271.364 2.482 50 0 CEAALP C[C@@H]1CO[C@@H](C)C[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000065611753 362841755 /nfs/dbraw/zinc/84/17/55/362841755.db2.gz BCYWIAHFGXEMCZ-KGLIPLIRSA-N 2 2 271.364 2.482 50 0 CEAALP CCCCc1nc(Cl)c(C[N@@H+]2CC[C@H](C[NH3+])C2)[nH]1 ZINC000067649850 362914584 /nfs/dbraw/zinc/91/45/84/362914584.db2.gz AOZADIKAZVPROE-SNVBAGLBSA-N 2 2 270.808 2.186 50 0 CEAALP CCCCc1nc(Cl)c(C[N@H+]2CC[C@H](C[NH3+])C2)[nH]1 ZINC000067649850 362914588 /nfs/dbraw/zinc/91/45/88/362914588.db2.gz AOZADIKAZVPROE-SNVBAGLBSA-N 2 2 270.808 2.186 50 0 CEAALP Cc1ccc2c(c1)[C@H]([NH2+]C[C@H]1C[N@@H+]3CCC[C@H]3CO1)CC2 ZINC000251240465 539792041 /nfs/dbraw/zinc/79/20/41/539792041.db2.gz QCJLKNOLAYJCHV-XYJFISCASA-N 2 2 286.419 2.435 50 0 CEAALP Cc1ccc2c(c1)[C@H]([NH2+]C[C@H]1C[N@H+]3CCC[C@H]3CO1)CC2 ZINC000251240465 539792043 /nfs/dbraw/zinc/79/20/43/539792043.db2.gz QCJLKNOLAYJCHV-XYJFISCASA-N 2 2 286.419 2.435 50 0 CEAALP Cn1cc[nH+]c1CN1CC[NH+](CCCc2ccccc2)CC1 ZINC000069655273 362988679 /nfs/dbraw/zinc/98/86/79/362988679.db2.gz QACKWNGXVWJEEW-UHFFFAOYSA-N 2 2 298.434 2.171 50 0 CEAALP CC[NH+]1CCC([NH2+]Cc2ccc3[nH]c(C)nc3c2)CC1 ZINC000670472373 540429382 /nfs/dbraw/zinc/42/93/82/540429382.db2.gz QHGQKPYHNNZREG-UHFFFAOYSA-N 2 2 272.396 2.445 50 0 CEAALP CC[NH+]1CCC([NH2+]Cc2ccc3nc(C)[nH]c3c2)CC1 ZINC000670472373 540429384 /nfs/dbraw/zinc/42/93/84/540429384.db2.gz QHGQKPYHNNZREG-UHFFFAOYSA-N 2 2 272.396 2.445 50 0 CEAALP CN(C)c1ccc(Cc2ccc(N(C)C)[nH+]c2)c[nH+]1 ZINC000004429049 361316164 /nfs/dbraw/zinc/31/61/64/361316164.db2.gz BGTKNMYXDIQTOS-UHFFFAOYSA-N 2 2 256.353 2.199 50 0 CEAALP Nc1cc[nH+]c(N2CCC(c3[nH+]ccn3CC3CC3)CC2)n1 ZINC000082161579 363751667 /nfs/dbraw/zinc/75/16/67/363751667.db2.gz DLKUXDZEEHLDQZ-UHFFFAOYSA-N 2 2 298.394 2.049 50 0 CEAALP CCSCCC[NH2+][C@@H]1CCc2[nH+]c(C)cn2C1 ZINC000097082143 364442193 /nfs/dbraw/zinc/44/21/93/364442193.db2.gz AWNNFXHYSPPUCL-GFCCVEGCSA-N 2 2 253.415 2.239 50 0 CEAALP CCC[NH+]1CCC([N@H+](C)C[C@@H]2CCC[NH+](C)C2)CC1 ZINC000097022014 364427648 /nfs/dbraw/zinc/42/76/48/364427648.db2.gz XHBQZJOFZMPXST-OAHLLOKOSA-N 3 2 267.461 2.134 50 0 CEAALP CCC[NH+]1CCC([N@@H+](C)C[C@@H]2CCC[NH+](C)C2)CC1 ZINC000097022014 364427650 /nfs/dbraw/zinc/42/76/50/364427650.db2.gz XHBQZJOFZMPXST-OAHLLOKOSA-N 3 2 267.461 2.134 50 0 CEAALP CCC[NH+]1CCC([NH+](C)C[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000097022014 364427653 /nfs/dbraw/zinc/42/76/53/364427653.db2.gz XHBQZJOFZMPXST-OAHLLOKOSA-N 3 2 267.461 2.134 50 0 CEAALP CCC[NH+]1CCC([NH+](C)C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000097022014 364427655 /nfs/dbraw/zinc/42/76/55/364427655.db2.gz XHBQZJOFZMPXST-OAHLLOKOSA-N 3 2 267.461 2.134 50 0 CEAALP Cc1cccc(NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)[nH+]1 ZINC000097163402 364469083 /nfs/dbraw/zinc/46/90/83/364469083.db2.gz XQHZKRJLUKREJY-IAGOWNOFSA-N 2 2 297.402 2.437 50 0 CEAALP Cc1cccc(NC[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)[nH+]1 ZINC000097163402 364469088 /nfs/dbraw/zinc/46/90/88/364469088.db2.gz XQHZKRJLUKREJY-IAGOWNOFSA-N 2 2 297.402 2.437 50 0 CEAALP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2ccnc(N)c2)C1 ZINC000193338786 369927974 /nfs/dbraw/zinc/92/79/74/369927974.db2.gz HGZHQAADWWPYPS-AWEZNQCLSA-N 2 2 285.395 2.260 50 0 CEAALP CCCC[NH+]1CCC(Nc2nc[nH+]c(N)c2Cl)CC1 ZINC000277500459 374544795 /nfs/dbraw/zinc/54/47/95/374544795.db2.gz REZDIDBJUBOPPL-UHFFFAOYSA-N 2 2 283.807 2.389 50 0 CEAALP Cc1nonc1C[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000408525552 375510949 /nfs/dbraw/zinc/51/09/49/375510949.db2.gz ZZKVASLRMMPQCB-UHFFFAOYSA-N 2 2 274.368 2.072 50 0 CEAALP CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cccc[nH+]1 ZINC000302470026 379379222 /nfs/dbraw/zinc/37/92/22/379379222.db2.gz UBCPDUOZJQYESA-GOSISDBHSA-N 2 2 297.402 2.155 50 0 CEAALP CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cccc[nH+]1 ZINC000302470026 379379231 /nfs/dbraw/zinc/37/92/31/379379231.db2.gz UBCPDUOZJQYESA-GOSISDBHSA-N 2 2 297.402 2.155 50 0 CEAALP O=C(C[NH+]1CCCC1)Nc1c2c([nH+]c3c1CCCC3)CCC2 ZINC000000758989 169678071 /nfs/dbraw/zinc/67/80/71/169678071.db2.gz KUAKOWPEULPAQB-UHFFFAOYSA-N 2 2 299.418 2.483 50 0 CEAALP Cn1cc[nH+]c1CN1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000077489459 177274291 /nfs/dbraw/zinc/27/42/91/177274291.db2.gz XPMVPRFDWFTCDP-OAHLLOKOSA-N 2 2 276.428 2.118 50 0 CEAALP CCSc1ccccc1NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC000952869031 815071210 /nfs/dbraw/zinc/07/12/10/815071210.db2.gz GRRWKAWARILGQT-NSHDSACASA-N 2 2 290.392 2.030 50 0 CEAALP Cc1[nH+]ccn1C[C@H](C)[NH+]1CCN(c2cc[nH+]cc2C)CC1 ZINC000821758638 810572465 /nfs/dbraw/zinc/57/24/65/810572465.db2.gz UJIWGDKHUWFCKA-HNNXBMFYSA-N 3 2 299.422 2.106 50 0 CEAALP C[NH+](C)C[C@@H]1COCC[N@H+](Cc2ccc3[nH]ccc3c2)C1 ZINC000823690201 810625560 /nfs/dbraw/zinc/62/55/60/810625560.db2.gz NMRBPZRXQPMMIX-HNNXBMFYSA-N 2 2 287.407 2.178 50 0 CEAALP C[NH+](C)C[C@@H]1COCC[N@@H+](Cc2ccc3[nH]ccc3c2)C1 ZINC000823690201 810625565 /nfs/dbraw/zinc/62/55/65/810625565.db2.gz NMRBPZRXQPMMIX-HNNXBMFYSA-N 2 2 287.407 2.178 50 0 CEAALP C[N@H+](CC[NH2+][C@@H]1CCSC1)Cc1ccccc1 ZINC000095967409 185046933 /nfs/dbraw/zinc/04/69/33/185046933.db2.gz DVIIHMKJUCFOLM-CQSZACIVSA-N 2 2 250.411 2.214 50 0 CEAALP C[N@@H+](CC[NH2+][C@@H]1CCSC1)Cc1ccccc1 ZINC000095967409 185046934 /nfs/dbraw/zinc/04/69/34/185046934.db2.gz DVIIHMKJUCFOLM-CQSZACIVSA-N 2 2 250.411 2.214 50 0 CEAALP c1cn(CCC[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c[nH+]1 ZINC000034991023 361802694 /nfs/dbraw/zinc/80/26/94/361802694.db2.gz JSCYHWWJTIDAAF-UHFFFAOYSA-N 3 2 281.363 2.249 50 0 CEAALP c1cn(-c2ccc(C[NH2+]CCCn3cc[nH+]c3)cc2)cn1 ZINC000034991023 361802700 /nfs/dbraw/zinc/80/27/00/361802700.db2.gz JSCYHWWJTIDAAF-UHFFFAOYSA-N 2 2 281.363 2.249 50 0 CEAALP C[C@H]([NH2+]C1CC[NH+](Cc2ccco2)CC1)c1cnn(C)c1 ZINC000584892569 345000376 /nfs/dbraw/zinc/00/03/76/345000376.db2.gz SBDCURZFCYITAM-ZDUSSCGKSA-N 2 2 288.395 2.328 50 0 CEAALP COc1ccccc1/C=C/C[N@@H+]1C[C@H]([NH3+])[C@@H](C2CC2)C1 ZINC000091829357 180266155 /nfs/dbraw/zinc/26/61/55/180266155.db2.gz HJRAKTBSVBLGDG-ZOESHWHXSA-N 2 2 272.392 2.378 50 0 CEAALP COc1ccccc1/C=C/C[N@H+]1C[C@H]([NH3+])[C@@H](C2CC2)C1 ZINC000091829357 180266156 /nfs/dbraw/zinc/26/61/56/180266156.db2.gz HJRAKTBSVBLGDG-ZOESHWHXSA-N 2 2 272.392 2.378 50 0 CEAALP Cc1cc(CNC(=O)[C@@H](C)C[NH+]2CCCC2)c[nH+]c1C ZINC000670441476 540411403 /nfs/dbraw/zinc/41/14/03/540411403.db2.gz KQQYUVKITDHWOY-ZDUSSCGKSA-N 2 2 275.396 2.047 50 0 CEAALP Cc1[nH+]c(CN2CCC[C@@H](C[NH+]3CCCC3)C2)n(C)c1C ZINC000670460957 540421091 /nfs/dbraw/zinc/42/10/91/540421091.db2.gz CTWJEXIBUOTWOA-INIZCTEOSA-N 2 2 290.455 2.345 50 0 CEAALP Cc1ncsc1C[NH+]1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000670457700 540420044 /nfs/dbraw/zinc/42/00/44/540420044.db2.gz LOUZICXYLVIFIW-NEPJUHHUSA-N 2 2 251.399 2.120 50 0 CEAALP Cc1ncsc1C[NH+]1[C@@H]2CC[C@H]1C[N@@H+](C)CC2 ZINC000670457700 540420046 /nfs/dbraw/zinc/42/00/46/540420046.db2.gz LOUZICXYLVIFIW-NEPJUHHUSA-N 2 2 251.399 2.120 50 0 CEAALP Cc1ncsc1C[N@@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000670457700 540420049 /nfs/dbraw/zinc/42/00/49/540420049.db2.gz LOUZICXYLVIFIW-NEPJUHHUSA-N 2 2 251.399 2.120 50 0 CEAALP Cc1ncsc1C[N@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000670457700 540420053 /nfs/dbraw/zinc/42/00/53/540420053.db2.gz LOUZICXYLVIFIW-NEPJUHHUSA-N 2 2 251.399 2.120 50 0 CEAALP C[N@H+](Cc1coc2ccccc2c1=O)C1CC[NH+](C)CC1 ZINC000000240316 361150559 /nfs/dbraw/zinc/15/05/59/361150559.db2.gz KJQSBEJGLMVCPH-UHFFFAOYSA-N 2 2 286.375 2.319 50 0 CEAALP C[N@@H+](Cc1coc2ccccc2c1=O)C1CC[NH+](C)CC1 ZINC000000240316 361150563 /nfs/dbraw/zinc/15/05/63/361150563.db2.gz KJQSBEJGLMVCPH-UHFFFAOYSA-N 2 2 286.375 2.319 50 0 CEAALP C[C@@H](c1ccccc1)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000013694373 361437676 /nfs/dbraw/zinc/43/76/76/361437676.db2.gz CFSPXVXGKDEQLJ-AWEZNQCLSA-N 2 2 270.380 2.303 50 0 CEAALP CC(C)COCC[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000095421089 364368449 /nfs/dbraw/zinc/36/84/49/364368449.db2.gz CMHWJLPAQRNNRM-UHFFFAOYSA-N 2 2 277.412 2.313 50 0 CEAALP CC1(C)C[C@@H]([NH2+][C@H]2CC[N@H+](CC3CC3)C2)C(C)(C)O1 ZINC000095422204 364369843 /nfs/dbraw/zinc/36/98/43/364369843.db2.gz MFEYQFQKRLINOW-UONOGXRCSA-N 2 2 266.429 2.406 50 0 CEAALP CC1(C)C[C@@H]([NH2+][C@H]2CC[N@@H+](CC3CC3)C2)C(C)(C)O1 ZINC000095422204 364369846 /nfs/dbraw/zinc/36/98/46/364369846.db2.gz MFEYQFQKRLINOW-UONOGXRCSA-N 2 2 266.429 2.406 50 0 CEAALP CC[NH+](CC)CCN1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000095446897 364383063 /nfs/dbraw/zinc/38/30/63/364383063.db2.gz 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IQCFUGMDAVJJOT-DOTOQJQBSA-N 2 2 286.423 2.432 50 0 CEAALP Cc1nnsc1C[N@H+](C)C[C@H]1CC[NH+](C)C1(C)C ZINC000252491603 371445946 /nfs/dbraw/zinc/44/59/46/371445946.db2.gz LOKZSZQSJFTIJP-LLVKDONJSA-N 2 2 268.430 2.009 50 0 CEAALP Cc1nnsc1C[N@@H+](C)C[C@H]1CC[NH+](C)C1(C)C ZINC000252491603 371445949 /nfs/dbraw/zinc/44/59/49/371445949.db2.gz LOKZSZQSJFTIJP-LLVKDONJSA-N 2 2 268.430 2.009 50 0 CEAALP Cc1nnsc1C[NH+](C)C[C@H]1CC[N@H+](C)C1(C)C ZINC000252491603 371445952 /nfs/dbraw/zinc/44/59/52/371445952.db2.gz LOKZSZQSJFTIJP-LLVKDONJSA-N 2 2 268.430 2.009 50 0 CEAALP Cc1nnsc1C[NH+](C)C[C@H]1CC[N@@H+](C)C1(C)C ZINC000252491603 371445955 /nfs/dbraw/zinc/44/59/55/371445955.db2.gz LOKZSZQSJFTIJP-LLVKDONJSA-N 2 2 268.430 2.009 50 0 CEAALP CC(C)(C)c1n[nH]cc1C[NH2+]CCCn1cc[nH+]c1 ZINC000048707788 400205904 /nfs/dbraw/zinc/20/59/04/400205904.db2.gz WANWMNVIOUTWKU-UHFFFAOYSA-N 2 2 261.373 2.084 50 0 CEAALP CC(C)[C@H]1CN(Cc2c[nH]c[nH+]2)CCC[N@@H+]1CC1CC1 ZINC000071750529 176259606 /nfs/dbraw/zinc/25/96/06/176259606.db2.gz WCTUDZKNMSXMQV-MRXNPFEDSA-N 2 2 276.428 2.352 50 0 CEAALP CC(C)[C@H]1CN(Cc2c[nH]c[nH+]2)CCC[N@H+]1CC1CC1 ZINC000071750529 176259608 /nfs/dbraw/zinc/25/96/08/176259608.db2.gz WCTUDZKNMSXMQV-MRXNPFEDSA-N 2 2 276.428 2.352 50 0 CEAALP CC(C)[C@H]1CN(Cc2c[nH+]c[nH]2)CCC[N@@H+]1CC1CC1 ZINC000071750529 176259611 /nfs/dbraw/zinc/25/96/11/176259611.db2.gz WCTUDZKNMSXMQV-MRXNPFEDSA-N 2 2 276.428 2.352 50 0 CEAALP CC(C)[C@H]1CN(Cc2c[nH+]c[nH]2)CCC[N@H+]1CC1CC1 ZINC000071750529 176259613 /nfs/dbraw/zinc/25/96/13/176259613.db2.gz WCTUDZKNMSXMQV-MRXNPFEDSA-N 2 2 276.428 2.352 50 0 CEAALP CC[NH+](CC)CCCN[NH2+][C@H](C)Cc1ccccc1 ZINC000071771321 176262539 /nfs/dbraw/zinc/26/25/39/176262539.db2.gz SGIXVAJQUKOWSS-OAHLLOKOSA-N 2 2 263.429 2.444 50 0 CEAALP Cc1c[nH]c(C[N@H+]2CCCC[C@H]2CC[NH+](C)C)c(C)c1=O ZINC000072153562 176328134 /nfs/dbraw/zinc/32/81/34/176328134.db2.gz BMYKYBRGANKVAW-HNNXBMFYSA-N 2 2 291.439 2.298 50 0 CEAALP 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285.326 2.125 50 0 CEAALP CC1CC[NH+](C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)CC1 ZINC000066475175 625924175 /nfs/dbraw/zinc/92/41/75/625924175.db2.gz XVDSQSAGPYSTAW-GOSISDBHSA-N 2 2 288.435 2.138 50 0 CEAALP CC1CC[NH+](C[C@@H](O)C[N@H+]2CCc3ccccc3C2)CC1 ZINC000066475175 625924178 /nfs/dbraw/zinc/92/41/78/625924178.db2.gz XVDSQSAGPYSTAW-GOSISDBHSA-N 2 2 288.435 2.138 50 0 CEAALP Cn1cc[nH+]c1CC[C@H]1CCCC[N@@H+]1C[C@@H]1CCCO1 ZINC000019146285 810722593 /nfs/dbraw/zinc/72/25/93/810722593.db2.gz LIVVTLMTTRTOQR-CABCVRRESA-N 2 2 277.412 2.386 50 0 CEAALP Cn1cc[nH+]c1CC[C@H]1CCCC[N@H+]1C[C@@H]1CCCO1 ZINC000019146285 810722599 /nfs/dbraw/zinc/72/25/99/810722599.db2.gz LIVVTLMTTRTOQR-CABCVRRESA-N 2 2 277.412 2.386 50 0 CEAALP Cc1ccccc1C[NH+]1CCN(CCCn2cc[nH+]c2)CC1 ZINC000097034089 185156719 /nfs/dbraw/zinc/15/67/19/185156719.db2.gz YOWHHFMDYWKDOG-UHFFFAOYSA-N 2 2 298.434 2.399 50 0 CEAALP [NH2+]=C(NCCc1[nH+]ccn1C(F)F)Nc1ccccc1 ZINC000066246769 343710045 /nfs/dbraw/zinc/71/00/45/343710045.db2.gz 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JLVWFPRJBFQFNM-ZDUSSCGKSA-N 2 2 291.424 2.264 50 0 CEAALP Cc1cccc(C)c1NC(=O)C[N@@H+](C)C1CC[NH+](C)CC1 ZINC000003289428 361272191 /nfs/dbraw/zinc/27/21/91/361272191.db2.gz CVSLQMKMBHAHFP-UHFFFAOYSA-N 2 2 289.423 2.268 50 0 CEAALP Cc1cccc(C)c1NC(=O)C[N@H+](C)C1CC[NH+](C)CC1 ZINC000003289428 361272193 /nfs/dbraw/zinc/27/21/93/361272193.db2.gz CVSLQMKMBHAHFP-UHFFFAOYSA-N 2 2 289.423 2.268 50 0 CEAALP c1cn2c([nH+]1)[C@@H](C[NH2+]Cc1cccc3c1OCO3)CCC2 ZINC000089774324 364001221 /nfs/dbraw/zinc/00/12/21/364001221.db2.gz IAJDMVYJOOAMAA-CYBMUJFWSA-N 2 2 285.347 2.279 50 0 CEAALP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+](Cc3nccn3C)C2)c1 ZINC000097200769 364476402 /nfs/dbraw/zinc/47/64/02/364476402.db2.gz AOEJEHBRGHWNQC-AWEZNQCLSA-N 2 2 285.395 2.058 50 0 CEAALP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+](Cc3nccn3C)C2)c1 ZINC000097200769 364476404 /nfs/dbraw/zinc/47/64/04/364476404.db2.gz AOEJEHBRGHWNQC-AWEZNQCLSA-N 2 2 285.395 2.058 50 0 CEAALP CC[N@H+](Cc1c[nH+]c(C)[nH]1)[C@H]1CCOC(C)(C)C1 ZINC000097679910 364515092 /nfs/dbraw/zinc/51/50/92/364515092.db2.gz YHGPMRNNMJTMAQ-ZDUSSCGKSA-N 2 2 251.374 2.498 50 0 CEAALP CC[N@@H+](Cc1c[nH+]c(C)[nH]1)[C@H]1CCOC(C)(C)C1 ZINC000097679910 364515097 /nfs/dbraw/zinc/51/50/97/364515097.db2.gz YHGPMRNNMJTMAQ-ZDUSSCGKSA-N 2 2 251.374 2.498 50 0 CEAALP CCc1[nH+]ccn1CC[N@H+]1CC[C@@H](n2nc(C)cc2C)C1 ZINC000244899315 370802501 /nfs/dbraw/zinc/80/25/01/370802501.db2.gz ZHQUFTMCUZFBSL-OAHLLOKOSA-N 2 2 287.411 2.206 50 0 CEAALP CSCc1noc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)n1 ZINC000244899962 370804127 /nfs/dbraw/zinc/80/41/27/370804127.db2.gz ZTPODAHFIFTUNR-JTQLQIEISA-N 2 2 293.396 2.035 50 0 CEAALP CSCc1noc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)n1 ZINC000244899962 370804130 /nfs/dbraw/zinc/80/41/30/370804130.db2.gz ZTPODAHFIFTUNR-JTQLQIEISA-N 2 2 293.396 2.035 50 0 CEAALP COC[C@@H](C)[N@@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000225718961 370313940 /nfs/dbraw/zinc/31/39/40/370313940.db2.gz YNXQRIALMNTBIF-TZMCWYRMSA-N 2 2 297.468 2.240 50 0 CEAALP COC[C@@H](C)[N@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000225718961 370313942 /nfs/dbraw/zinc/31/39/42/370313942.db2.gz YNXQRIALMNTBIF-TZMCWYRMSA-N 2 2 297.468 2.240 50 0 CEAALP COC[C@@H](C)[NH+]1CC[C@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000225718961 370313945 /nfs/dbraw/zinc/31/39/45/370313945.db2.gz YNXQRIALMNTBIF-TZMCWYRMSA-N 2 2 297.468 2.240 50 0 CEAALP COC[C@@H](C)[NH+]1CC[C@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000225718961 370313949 /nfs/dbraw/zinc/31/39/49/370313949.db2.gz YNXQRIALMNTBIF-TZMCWYRMSA-N 2 2 297.468 2.240 50 0 CEAALP CCO[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H](C)[N@H+](C)C2)C12CCC2 ZINC000229957835 370434392 /nfs/dbraw/zinc/43/43/92/370434392.db2.gz JYWJGLUQEJHBSO-YIYPIFLZSA-N 2 2 252.402 2.016 50 0 CEAALP CCO[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C2)C12CCC2 ZINC000229957835 370434397 /nfs/dbraw/zinc/43/43/97/370434397.db2.gz JYWJGLUQEJHBSO-YIYPIFLZSA-N 2 2 252.402 2.016 50 0 CEAALP CCC[NH+]1CCC([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000250014036 371374647 /nfs/dbraw/zinc/37/46/47/371374647.db2.gz QFFBGIKSYVYBRU-HOTGVXAUSA-N 3 2 265.445 2.077 50 0 CEAALP CCC[NH+]1CCC([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000250014036 371374649 /nfs/dbraw/zinc/37/46/49/371374649.db2.gz QFFBGIKSYVYBRU-HOTGVXAUSA-N 3 2 265.445 2.077 50 0 CEAALP NC1=[NH+]N2C(=[NH+]C3=C(CCCC3)[C@@H]2c2ccccc2)N1 ZINC000000504226 394450439 /nfs/dbraw/zinc/45/04/39/394450439.db2.gz YTSVUSIEVAVUAB-ZDUSSCGKSA-N 2 2 267.336 2.060 50 0 CEAALP CCc1nc(N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc(C)[nH+]1 ZINC000367421222 394962702 /nfs/dbraw/zinc/96/27/02/394962702.db2.gz ZMVGSCUWSJQHJC-CQSZACIVSA-N 2 2 284.363 2.400 50 0 CEAALP Cc1cc(C)n(C[C@H](C)C[NH2+][C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)n1 ZINC000108113303 400267707 /nfs/dbraw/zinc/26/77/07/400267707.db2.gz BVZMLXMXDRUCTQ-XPKDYRNWSA-N 2 2 290.455 2.351 50 0 CEAALP Cc1cc(C)n(C[C@H](C)C[NH2+][C@H]2C[C@@H](C)[N@H+](C3CC3)C2)n1 ZINC000108113303 400267710 /nfs/dbraw/zinc/26/77/10/400267710.db2.gz BVZMLXMXDRUCTQ-XPKDYRNWSA-N 2 2 290.455 2.351 50 0 CEAALP CC(C)[C@@H](CO)[NH2+][C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000108324560 400267807 /nfs/dbraw/zinc/26/78/07/400267807.db2.gz MSJFQUBXIAZXIZ-DJIMGWMZSA-N 2 2 276.424 2.428 50 0 CEAALP CC(C)[C@@H](CO)[NH2+][C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000108324560 400267814 /nfs/dbraw/zinc/26/78/14/400267814.db2.gz MSJFQUBXIAZXIZ-DJIMGWMZSA-N 2 2 276.424 2.428 50 0 CEAALP Cc1nc2sccn2c1C[N@@H+]1CCCn2c[nH+]cc2C1 ZINC000072130660 176321353 /nfs/dbraw/zinc/32/13/53/176321353.db2.gz WSEGMHRQSBEHKG-UHFFFAOYSA-N 2 2 287.392 2.307 50 0 CEAALP Cc1nc2sccn2c1C[N@H+]1CCCn2c[nH+]cc2C1 ZINC000072130660 176321354 /nfs/dbraw/zinc/32/13/54/176321354.db2.gz WSEGMHRQSBEHKG-UHFFFAOYSA-N 2 2 287.392 2.307 50 0 CEAALP C[C@H](C1CC[NH+](Cc2cnc[nH]2)CC1)[NH+]1CCCC1 ZINC000072407939 176397929 /nfs/dbraw/zinc/39/79/29/176397929.db2.gz WDDJJGDXEQHWAF-CYBMUJFWSA-N 2 2 262.401 2.106 50 0 CEAALP Cn1ccnc1C[N@@H+]1CCCC[C@H]1CCn1cc[nH+]c1 ZINC000077342577 177254829 /nfs/dbraw/zinc/25/48/29/177254829.db2.gz SETUWNPYIMWWNT-AWEZNQCLSA-N 2 2 273.384 2.061 50 0 CEAALP Cn1ccnc1C[N@H+]1CCCC[C@H]1CCn1cc[nH+]c1 ZINC000077342577 177254831 /nfs/dbraw/zinc/25/48/31/177254831.db2.gz SETUWNPYIMWWNT-AWEZNQCLSA-N 2 2 273.384 2.061 50 0 CEAALP c1ccc(OCCCC[N@@H+]2CC[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000077452977 177270389 /nfs/dbraw/zinc/27/03/89/177270389.db2.gz IHAOYIPGWVSFGQ-GOEBONIOSA-N 2 2 260.381 2.139 50 0 CEAALP c1ccc(OCCCC[N@H+]2CC[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000077452977 177270391 /nfs/dbraw/zinc/27/03/91/177270391.db2.gz IHAOYIPGWVSFGQ-GOEBONIOSA-N 2 2 260.381 2.139 50 0 CEAALP CC[C@H]([NH2+]CCn1cc[nH+]c1)c1nc(C)cs1 ZINC000096013862 185065340 /nfs/dbraw/zinc/06/53/40/185065340.db2.gz YWTIFSGKPXCVEN-NSHDSACASA-N 2 2 250.371 2.389 50 0 CEAALP Cc1[nH]cc(-c2cccc(C[NH+]3CCOCC3)c2)[nH+]1 ZINC000032500635 361740516 /nfs/dbraw/zinc/74/05/16/361740516.db2.gz BJYFFOHWRRAYOK-UHFFFAOYSA-N 2 2 257.337 2.217 50 0 CEAALP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccncc2)C1 ZINC000096447061 529861618 /nfs/dbraw/zinc/86/16/18/529861618.db2.gz FJZGCSWPGBBZDP-INIZCTEOSA-N 2 2 259.397 2.245 50 0 CEAALP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccncc2)C1 ZINC000096447061 529861620 /nfs/dbraw/zinc/86/16/20/529861620.db2.gz FJZGCSWPGBBZDP-INIZCTEOSA-N 2 2 259.397 2.245 50 0 CEAALP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2ccncc2)C1 ZINC000096447061 529861622 /nfs/dbraw/zinc/86/16/22/529861622.db2.gz FJZGCSWPGBBZDP-INIZCTEOSA-N 2 2 259.397 2.245 50 0 CEAALP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2ccncc2)C1 ZINC000096447061 529861623 /nfs/dbraw/zinc/86/16/23/529861623.db2.gz FJZGCSWPGBBZDP-INIZCTEOSA-N 2 2 259.397 2.245 50 0 CEAALP Cc1c[nH+]ccc1CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000090846705 344144243 /nfs/dbraw/zinc/14/42/43/344144243.db2.gz KRVUXSIRONEJNX-HZPDHXFCSA-N 3 2 259.397 2.149 50 0 CEAALP Cc1c[nH+]ccc1CC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000090846705 344144245 /nfs/dbraw/zinc/14/42/45/344144245.db2.gz KRVUXSIRONEJNX-HZPDHXFCSA-N 3 2 259.397 2.149 50 0 CEAALP C[C@@H]1C[C@H]([NH2+]C[C@H](c2ccccc2)C(C)(C)CO)C[N@@H+]1C ZINC000110704305 344269887 /nfs/dbraw/zinc/26/98/87/344269887.db2.gz AKDBWVCJHLHGKH-HYVNUMGLSA-N 2 2 290.451 2.471 50 0 CEAALP C[C@@H]1C[C@H]([NH2+]C[C@H](c2ccccc2)C(C)(C)CO)C[N@H+]1C ZINC000110704305 344269889 /nfs/dbraw/zinc/26/98/89/344269889.db2.gz AKDBWVCJHLHGKH-HYVNUMGLSA-N 2 2 290.451 2.471 50 0 CEAALP CC[NH+](CC)CC1(Nc2[nH+]cnc3[nH]ccc32)CC1 ZINC000584895401 345001360 /nfs/dbraw/zinc/00/13/60/345001360.db2.gz PJFLXDCAGXTSMR-UHFFFAOYSA-N 2 2 259.357 2.244 50 0 CEAALP Fc1ccc2[nH]c(CCC[NH2+][C@H]3CCOC3)[nH+]c2c1 ZINC000584902129 345003983 /nfs/dbraw/zinc/00/39/83/345003983.db2.gz GLEPACGNXKYPFK-NSHDSACASA-N 2 2 263.316 2.013 50 0 CEAALP CCCSc1ncc(C[NH2+]CCc2c[nH]c[nH+]2)cn1 ZINC000055197959 362545966 /nfs/dbraw/zinc/54/59/66/362545966.db2.gz YAAVCLOHFYCGGT-UHFFFAOYSA-N 2 2 277.397 2.034 50 0 CEAALP CCCSc1ncc(C[NH2+]CCc2c[nH+]c[nH]2)cn1 ZINC000055197959 362545971 /nfs/dbraw/zinc/54/59/71/362545971.db2.gz YAAVCLOHFYCGGT-UHFFFAOYSA-N 2 2 277.397 2.034 50 0 CEAALP Cc1c[nH+]c(N)c(-c2ccccc2C[NH+]2CCOCC2)c1 ZINC000065394510 362815440 /nfs/dbraw/zinc/81/54/40/362815440.db2.gz XJLBGENTLMZNGM-UHFFFAOYSA-N 2 2 283.375 2.471 50 0 CEAALP COc1ccc(-c2[nH+]ccn2C[C@H]2CC[NH2+]C2)cc1C ZINC000067676581 362917627 /nfs/dbraw/zinc/91/76/27/362917627.db2.gz XIADXQRRNJZBQS-ZDUSSCGKSA-N 2 2 271.364 2.477 50 0 CEAALP CCCn1cc[nH+]c1CN1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000067946726 362932923 /nfs/dbraw/zinc/93/29/23/362932923.db2.gz TTZGWXJCCQMSBT-INIZCTEOSA-N 2 2 276.428 2.211 50 0 CEAALP CCCn1cc[nH+]c1CN1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000067946726 362932926 /nfs/dbraw/zinc/93/29/26/362932926.db2.gz TTZGWXJCCQMSBT-INIZCTEOSA-N 2 2 276.428 2.211 50 0 CEAALP CCOC1CC[NH+](Cc2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000072312064 363130029 /nfs/dbraw/zinc/13/00/29/363130029.db2.gz AINNMYDCUSSPJV-UHFFFAOYSA-N 2 2 286.379 2.268 50 0 CEAALP COc1cc(C[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)cc(OC)c1OC ZINC000156065333 188241668 /nfs/dbraw/zinc/24/16/68/188241668.db2.gz MIYPUHVROKUPKC-YPMHNXCESA-N 2 2 294.395 2.024 50 0 CEAALP COc1cc(C[N@H+]2CC[C@H]([NH3+])C[C@H]2C)cc(OC)c1OC ZINC000156065333 188241670 /nfs/dbraw/zinc/24/16/70/188241670.db2.gz MIYPUHVROKUPKC-YPMHNXCESA-N 2 2 294.395 2.024 50 0 CEAALP CC(C)Cc1cc(C[N@H+](C)C[C@@]2(C)CC[NH+](C)C2)[nH]n1 ZINC000670458644 540420640 /nfs/dbraw/zinc/42/06/40/540420640.db2.gz VYCMAIKCBHWBBO-INIZCTEOSA-N 2 2 278.444 2.382 50 0 CEAALP CC(C)Cc1cc(C[N@@H+](C)C[C@@]2(C)CC[NH+](C)C2)[nH]n1 ZINC000670458644 540420641 /nfs/dbraw/zinc/42/06/41/540420641.db2.gz VYCMAIKCBHWBBO-INIZCTEOSA-N 2 2 278.444 2.382 50 0 CEAALP CC(C)Cc1cc(C[NH+](C)C[C@@]2(C)CC[N@H+](C)C2)[nH]n1 ZINC000670458644 540420644 /nfs/dbraw/zinc/42/06/44/540420644.db2.gz VYCMAIKCBHWBBO-INIZCTEOSA-N 2 2 278.444 2.382 50 0 CEAALP CC(C)Cc1cc(C[NH+](C)C[C@@]2(C)CC[N@@H+](C)C2)[nH]n1 ZINC000670458644 540420646 /nfs/dbraw/zinc/42/06/46/540420646.db2.gz VYCMAIKCBHWBBO-INIZCTEOSA-N 2 2 278.444 2.382 50 0 CEAALP Cc1ccc(C)c(NC2=[NH+]C3(CCCC3)NC(=[NH2+])N2)c1 ZINC000002482863 361235091 /nfs/dbraw/zinc/23/50/91/361235091.db2.gz TUEWJPKTZFWYOL-UHFFFAOYSA-N 2 2 271.368 2.469 50 0 CEAALP [NH3+]CC1CC[NH+](C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000016941895 361499559 /nfs/dbraw/zinc/49/95/59/361499559.db2.gz FZPOHAJLDZMOSU-UHFFFAOYSA-N 3 2 287.451 2.322 50 0 CEAALP Cc1cnc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cn1 ZINC000097200748 364476587 /nfs/dbraw/zinc/47/65/87/364476587.db2.gz XHUBCSCIURGQJB-AWEZNQCLSA-N 2 2 283.379 2.114 50 0 CEAALP Cc1cnc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cn1 ZINC000097200748 364476590 /nfs/dbraw/zinc/47/65/90/364476590.db2.gz XHUBCSCIURGQJB-AWEZNQCLSA-N 2 2 283.379 2.114 50 0 CEAALP CCc1[nH+]ccn1CC[N@H+](C)C[C@@H](O)c1ccccc1 ZINC000244874344 370802635 /nfs/dbraw/zinc/80/26/35/370802635.db2.gz WZROZKVFEFEUJQ-OAHLLOKOSA-N 2 2 273.380 2.111 50 0 CEAALP CCc1[nH+]ccn1CC[N@@H+](C)C[C@@H](O)c1ccccc1 ZINC000244874344 370802640 /nfs/dbraw/zinc/80/26/40/370802640.db2.gz WZROZKVFEFEUJQ-OAHLLOKOSA-N 2 2 273.380 2.111 50 0 CEAALP CC[N@@H+]1CC[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[NH+]3C)[C@H](C)C1 ZINC000245339324 370808520 /nfs/dbraw/zinc/80/85/20/370808520.db2.gz SARVBRDOJFVVRO-AKBNIOSXSA-N 3 2 279.472 2.322 50 0 CEAALP CC[N@H+]1CC[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[NH+]3C)[C@H](C)C1 ZINC000245339324 370808529 /nfs/dbraw/zinc/80/85/29/370808529.db2.gz SARVBRDOJFVVRO-AKBNIOSXSA-N 3 2 279.472 2.322 50 0 CEAALP CC[NH+]1CC[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@H](C)C1 ZINC000245339324 370808534 /nfs/dbraw/zinc/80/85/34/370808534.db2.gz SARVBRDOJFVVRO-AKBNIOSXSA-N 3 2 279.472 2.322 50 0 CEAALP CC[NH+]1CC[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[C@H](C)C1 ZINC000245339324 370808541 /nfs/dbraw/zinc/80/85/41/370808541.db2.gz SARVBRDOJFVVRO-AKBNIOSXSA-N 3 2 279.472 2.322 50 0 CEAALP CCCc1ccc(C[N@@H+]2CCOC[C@@H](C[NH+](C)C)C2)o1 ZINC000072168993 284107312 /nfs/dbraw/zinc/10/73/12/284107312.db2.gz OFAHHYZLZBKHAE-AWEZNQCLSA-N 2 2 280.412 2.242 50 0 CEAALP CCCc1ccc(C[N@H+]2CCOC[C@@H](C[NH+](C)C)C2)o1 ZINC000072168993 284107314 /nfs/dbraw/zinc/10/73/14/284107314.db2.gz OFAHHYZLZBKHAE-AWEZNQCLSA-N 2 2 280.412 2.242 50 0 CEAALP Cc1[nH]c(CN2CCCC[C@@H]2C[NH+]2CCCC2)c[nH+]1 ZINC000215271847 370175299 /nfs/dbraw/zinc/17/52/99/370175299.db2.gz DCQXASHWZFVUED-OAHLLOKOSA-N 2 2 262.401 2.168 50 0 CEAALP Cc1[nH]cc(CN2CCCC[C@@H]2C[NH+]2CCCC2)[nH+]1 ZINC000215271847 370175305 /nfs/dbraw/zinc/17/53/05/370175305.db2.gz DCQXASHWZFVUED-OAHLLOKOSA-N 2 2 262.401 2.168 50 0 CEAALP CCn1ccnc1C[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000215927007 370182535 /nfs/dbraw/zinc/18/25/35/370182535.db2.gz OJZGQAKIKGTSKB-CYBMUJFWSA-N 2 2 273.384 2.016 50 0 CEAALP CCn1ccnc1C[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000215927007 370182540 /nfs/dbraw/zinc/18/25/40/370182540.db2.gz OJZGQAKIKGTSKB-CYBMUJFWSA-N 2 2 273.384 2.016 50 0 CEAALP CCC1(CC)CCN(c2cc(C3CC([NH3+])C3)[nH+]c(N)n2)C1 ZINC000223623385 370268241 /nfs/dbraw/zinc/26/82/41/370268241.db2.gz DSUJQQDBAGQOES-UHFFFAOYSA-N 2 2 289.427 2.280 50 0 CEAALP CC[N@@H+]1CCC[C@H](CN2CC[NH+](Cc3ccco3)CC2)C1 ZINC000252481440 371443106 /nfs/dbraw/zinc/44/31/06/371443106.db2.gz CMGZPKOMAMNTJK-INIZCTEOSA-N 2 2 291.439 2.129 50 0 CEAALP CC[N@H+]1CCC[C@H](CN2CC[NH+](Cc3ccco3)CC2)C1 ZINC000252481440 371443109 /nfs/dbraw/zinc/44/31/09/371443109.db2.gz CMGZPKOMAMNTJK-INIZCTEOSA-N 2 2 291.439 2.129 50 0 CEAALP CC[N@@H+]1CCC[C@H](C[NH+]2CCN(Cc3ccco3)CC2)C1 ZINC000252481440 371443112 /nfs/dbraw/zinc/44/31/12/371443112.db2.gz CMGZPKOMAMNTJK-INIZCTEOSA-N 2 2 291.439 2.129 50 0 CEAALP CC[N@H+]1CCC[C@H](C[NH+]2CCN(Cc3ccco3)CC2)C1 ZINC000252481440 371443116 /nfs/dbraw/zinc/44/31/16/371443116.db2.gz CMGZPKOMAMNTJK-INIZCTEOSA-N 2 2 291.439 2.129 50 0 CEAALP Cc1c[nH]c([C@@H](C)NC(=O)c2ccc(C[NH+](C)C)cc2)[nH+]1 ZINC000426578581 377420223 /nfs/dbraw/zinc/42/02/23/377420223.db2.gz KVZNIQUSOCJSBP-GFCCVEGCSA-N 2 2 286.379 2.271 50 0 CEAALP CC(C)[C@H]1CC([NH2+]CC[NH+](C)C)C[C@H](C(C)C)O1 ZINC000524732376 256784412 /nfs/dbraw/zinc/78/44/12/256784412.db2.gz XEGBUCKUALIEBF-HUUCEWRRSA-N 2 2 256.434 2.366 50 0 CEAALP CCn1cc[nH+]c1CN(C)C[C@@H]1Cc2ccccc2C[N@@H+]1C ZINC000215344505 394449491 /nfs/dbraw/zinc/44/94/91/394449491.db2.gz SXKPLSDCDQSWNN-KRWDZBQOSA-N 2 2 298.434 2.392 50 0 CEAALP CCn1cc[nH+]c1CN(C)C[C@@H]1Cc2ccccc2C[N@H+]1C ZINC000215344505 394449494 /nfs/dbraw/zinc/44/94/94/394449494.db2.gz SXKPLSDCDQSWNN-KRWDZBQOSA-N 2 2 298.434 2.392 50 0 CEAALP CC(C)SCC[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000253393824 394577751 /nfs/dbraw/zinc/57/77/51/394577751.db2.gz HSQCWGJXSMBONF-OAHLLOKOSA-N 2 2 286.485 2.172 50 0 CEAALP CC(C)SCC[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000253393824 394577759 /nfs/dbraw/zinc/57/77/59/394577759.db2.gz HSQCWGJXSMBONF-OAHLLOKOSA-N 2 2 286.485 2.172 50 0 CEAALP CCOc1ccc(C[NH2+]C[C@H]2CCC[N@@H+]2C)cc1OC ZINC000221161124 153304682 /nfs/dbraw/zinc/30/46/82/153304682.db2.gz VXTTVBZJKIKGTL-CQSZACIVSA-N 2 2 278.396 2.278 50 0 CEAALP CCOc1ccc(C[NH2+]C[C@H]2CCC[N@H+]2C)cc1OC ZINC000221161124 153304688 /nfs/dbraw/zinc/30/46/88/153304688.db2.gz VXTTVBZJKIKGTL-CQSZACIVSA-N 2 2 278.396 2.278 50 0 CEAALP Cc1n[nH]cc1C[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000071819532 176270103 /nfs/dbraw/zinc/27/01/03/176270103.db2.gz KKGZTGXAZAXEQU-UHFFFAOYSA-N 2 2 284.407 2.256 50 0 CEAALP Cc1n[nH]cc1C[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000071819532 176270105 /nfs/dbraw/zinc/27/01/05/176270105.db2.gz KKGZTGXAZAXEQU-UHFFFAOYSA-N 2 2 284.407 2.256 50 0 CEAALP CC[NH+](CC)CCC[N@@H+]1CCSC2(CCOCC2)C1 ZINC000191839766 276096454 /nfs/dbraw/zinc/09/64/54/276096454.db2.gz YFUGKMRLMMCIIG-UHFFFAOYSA-N 2 2 286.485 2.316 50 0 CEAALP CC[NH+](CC)CCC[N@H+]1CCSC2(CCOCC2)C1 ZINC000191839766 276096455 /nfs/dbraw/zinc/09/64/55/276096455.db2.gz YFUGKMRLMMCIIG-UHFFFAOYSA-N 2 2 286.485 2.316 50 0 CEAALP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccc(Br)cn1 ZINC000133627638 278010943 /nfs/dbraw/zinc/01/09/43/278010943.db2.gz WGTRQADCVLBIBB-NXEZZACHSA-N 2 2 284.201 2.013 50 0 CEAALP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(Br)cn1 ZINC000133627638 278010946 /nfs/dbraw/zinc/01/09/46/278010946.db2.gz WGTRQADCVLBIBB-NXEZZACHSA-N 2 2 284.201 2.013 50 0 CEAALP Cc1nc(N2CCC[C@H]2C[NH+]2CCCCC2)cc[nH+]1 ZINC000195570814 279164769 /nfs/dbraw/zinc/16/47/69/279164769.db2.gz TURQKAVXGRAZCH-AWEZNQCLSA-N 2 2 260.385 2.240 50 0 CEAALP Cc1ccc2[nH]c(CCC[NH2+][C@@H]3CCOC3)[nH+]c2c1C ZINC000534674462 328349020 /nfs/dbraw/zinc/34/90/20/328349020.db2.gz AVFPFJPZRYCEMJ-CYBMUJFWSA-N 2 2 273.380 2.491 50 0 CEAALP Cc1ccc2[nH+]c(CCC[NH2+][C@@H]3CCOC3)[nH]c2c1C ZINC000534674462 328349022 /nfs/dbraw/zinc/34/90/22/328349022.db2.gz AVFPFJPZRYCEMJ-CYBMUJFWSA-N 2 2 273.380 2.491 50 0 CEAALP CCc1ccc(C[NH2+][C@H](CC)Cn2cc[nH+]c2)nc1 ZINC000952968913 615674318 /nfs/dbraw/zinc/67/43/18/615674318.db2.gz GFRLSEHAEMWRIA-CQSZACIVSA-N 2 2 258.369 2.409 50 0 CEAALP CCC[NH+]1CCC(Nc2nc(N(C)C)c(C)c[nH+]2)CC1 ZINC000822921709 810600353 /nfs/dbraw/zinc/60/03/53/810600353.db2.gz XYYZVKZFXDMXDS-UHFFFAOYSA-N 2 2 277.416 2.137 50 0 CEAALP CC[N@H+](C)C1(CNc2cc[nH+]cc2F)CCCC1 ZINC000823067880 810604955 /nfs/dbraw/zinc/60/49/55/810604955.db2.gz VBAITEWWQHGUQI-UHFFFAOYSA-N 2 2 251.349 2.319 50 0 CEAALP CC[N@@H+](C)C1(CNc2cc[nH+]cc2F)CCCC1 ZINC000823067880 810604961 /nfs/dbraw/zinc/60/49/61/810604961.db2.gz VBAITEWWQHGUQI-UHFFFAOYSA-N 2 2 251.349 2.319 50 0 CEAALP CC[N@H+](C)C[C@H](C)[NH2+]CCCn1nc(C)c(C)c1C ZINC000823074739 810604989 /nfs/dbraw/zinc/60/49/89/810604989.db2.gz XZXVXXRWSLZTRE-LBPRGKRZSA-N 2 2 266.433 2.128 50 0 CEAALP CC[N@@H+](C)C[C@H](C)[NH2+]CCCn1nc(C)c(C)c1C ZINC000823074739 810604994 /nfs/dbraw/zinc/60/49/94/810604994.db2.gz XZXVXXRWSLZTRE-LBPRGKRZSA-N 2 2 266.433 2.128 50 0 CEAALP CCc1[nH+]ccn1C[C@@H](C)[NH2+]Cc1csc(C)n1 ZINC000823557114 810619851 /nfs/dbraw/zinc/61/98/51/810619851.db2.gz CLFIUMYACIFJFN-SNVBAGLBSA-N 2 2 264.398 2.389 50 0 CEAALP C[N@@H+]1C[C@@H]2CCC[C@H]1C[NH+](CC1(C)CCOCC1)C2 ZINC000823806811 810627298 /nfs/dbraw/zinc/62/72/98/810627298.db2.gz QUEVJXUSFLNKQI-GJZGRUSLSA-N 2 2 266.429 2.219 50 0 CEAALP C[N@H+]1C[C@@H]2CCC[C@H]1C[NH+](CC1(C)CCOCC1)C2 ZINC000823806811 810627304 /nfs/dbraw/zinc/62/73/04/810627304.db2.gz QUEVJXUSFLNKQI-GJZGRUSLSA-N 2 2 266.429 2.219 50 0 CEAALP C[NH+]1C[C@@H]2CCC[C@H]1C[N@H+](CC1(C)CCOCC1)C2 ZINC000823806811 810627310 /nfs/dbraw/zinc/62/73/10/810627310.db2.gz QUEVJXUSFLNKQI-GJZGRUSLSA-N 2 2 266.429 2.219 50 0 CEAALP C[NH+]1C[C@@H]2CCC[C@H]1C[N@@H+](CC1(C)CCOCC1)C2 ZINC000823806811 810627315 /nfs/dbraw/zinc/62/73/15/810627315.db2.gz QUEVJXUSFLNKQI-GJZGRUSLSA-N 2 2 266.429 2.219 50 0 CEAALP CCc1[nH+]ccn1CC[N@H+](C)C[C@H]1CC[NH+](C(C)C)C1 ZINC000243956914 810733455 /nfs/dbraw/zinc/73/34/55/810733455.db2.gz CEGOFCYNEXOLDF-OAHLLOKOSA-N 3 2 278.444 2.108 50 0 CEAALP CCc1[nH+]ccn1CC[N@@H+](C)C[C@H]1CC[NH+](C(C)C)C1 ZINC000243956914 810733459 /nfs/dbraw/zinc/73/34/59/810733459.db2.gz CEGOFCYNEXOLDF-OAHLLOKOSA-N 3 2 278.444 2.108 50 0 CEAALP CCc1[nH+]ccn1CC[NH+](C)C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000243956914 810733465 /nfs/dbraw/zinc/73/34/65/810733465.db2.gz CEGOFCYNEXOLDF-OAHLLOKOSA-N 3 2 278.444 2.108 50 0 CEAALP CCc1[nH+]ccn1CC[NH+](C)C[C@H]1CC[N@H+](C(C)C)C1 ZINC000243956914 810733467 /nfs/dbraw/zinc/73/34/67/810733467.db2.gz CEGOFCYNEXOLDF-OAHLLOKOSA-N 3 2 278.444 2.108 50 0 CEAALP Cc1ccc(CNc2cc(C3CC([NH3+])C3)[nH+]c(N)n2)c(C)c1 ZINC000222707083 230398303 /nfs/dbraw/zinc/39/83/03/230398303.db2.gz YQKMQOKFEDEKIR-UHFFFAOYSA-N 2 2 297.406 2.492 50 0 CEAALP CC(C)(C)OC(=O)NCC[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000097011988 185151863 /nfs/dbraw/zinc/15/18/63/185151863.db2.gz RDAROCNBXJOWFC-UHFFFAOYSA-N 2 2 297.443 2.071 50 0 CEAALP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]C1CCOCC1 ZINC000097034841 185157858 /nfs/dbraw/zinc/15/78/58/185157858.db2.gz WMCMCKFJZLZMBU-CQSZACIVSA-N 2 2 262.397 2.276 50 0 CEAALP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C1CCOCC1 ZINC000097034841 185157859 /nfs/dbraw/zinc/15/78/59/185157859.db2.gz WMCMCKFJZLZMBU-CQSZACIVSA-N 2 2 262.397 2.276 50 0 CEAALP O[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000051999444 362458971 /nfs/dbraw/zinc/45/89/71/362458971.db2.gz CVXNZYQULAWDKO-HZPDHXFCSA-N 2 2 271.364 2.265 50 0 CEAALP Cc1ccc2[nH]c(CC[NH2+]C3CCOCC3)[nH+]c2c1 ZINC000584886672 344997304 /nfs/dbraw/zinc/99/73/04/344997304.db2.gz AOHVXOWALPJTNB-UHFFFAOYSA-N 2 2 259.353 2.182 50 0 CEAALP CNc1ncccc1C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000584892802 345000194 /nfs/dbraw/zinc/00/01/94/345000194.db2.gz WDSPRKAWFVYEJM-MRXNPFEDSA-N 2 2 274.412 2.041 50 0 CEAALP CNc1ncccc1C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000584892802 345000196 /nfs/dbraw/zinc/00/01/96/345000196.db2.gz WDSPRKAWFVYEJM-MRXNPFEDSA-N 2 2 274.412 2.041 50 0 CEAALP CNc1ncccc1C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000584892802 345000197 /nfs/dbraw/zinc/00/01/97/345000197.db2.gz WDSPRKAWFVYEJM-MRXNPFEDSA-N 2 2 274.412 2.041 50 0 CEAALP CNc1ncccc1C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000584892802 345000199 /nfs/dbraw/zinc/00/01/99/345000199.db2.gz WDSPRKAWFVYEJM-MRXNPFEDSA-N 2 2 274.412 2.041 50 0 CEAALP CCc1nc(C[NH2+][C@H](C)Cn2cc[nH+]c2C)cs1 ZINC000584897211 345002092 /nfs/dbraw/zinc/00/20/92/345002092.db2.gz WRRMILNKQNYIIA-SNVBAGLBSA-N 2 2 264.398 2.389 50 0 CEAALP CCN(CC)[C@H](C[NH2+]C1CC[NH+](C)CC1)c1ccco1 ZINC000065433323 362823285 /nfs/dbraw/zinc/82/32/85/362823285.db2.gz ZJIQCUFWXLILFO-OAHLLOKOSA-N 2 2 279.428 2.346 50 0 CEAALP Cc1cnn(CCC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000067675117 362918471 /nfs/dbraw/zinc/91/84/71/362918471.db2.gz YRIVWHVRPVUKDK-GOSISDBHSA-N 2 2 298.434 2.446 50 0 CEAALP Cc1cnn(CCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000067675117 362918476 /nfs/dbraw/zinc/91/84/76/362918476.db2.gz YRIVWHVRPVUKDK-GOSISDBHSA-N 2 2 298.434 2.446 50 0 CEAALP CC[N@@H+]1CCC[C@H](c2nnc(C[NH+]3CCCCC3)n2C)C1 ZINC000072481430 363139334 /nfs/dbraw/zinc/13/93/34/363139334.db2.gz AQKCXVJFOCYYDO-AWEZNQCLSA-N 2 2 291.443 2.000 50 0 CEAALP CC[N@H+]1CCC[C@H](c2nnc(C[NH+]3CCCCC3)n2C)C1 ZINC000072481430 363139336 /nfs/dbraw/zinc/13/93/36/363139336.db2.gz AQKCXVJFOCYYDO-AWEZNQCLSA-N 2 2 291.443 2.000 50 0 CEAALP Cn1cc[nH+]c1[C@H]1CCC[N@H+](CCCCCCO)C1 ZINC000082139135 363751993 /nfs/dbraw/zinc/75/19/93/363751993.db2.gz MJKUTAZYYXOFSF-AWEZNQCLSA-N 2 2 265.401 2.152 50 0 CEAALP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](CCCCCCO)C1 ZINC000082139135 363751998 /nfs/dbraw/zinc/75/19/98/363751998.db2.gz MJKUTAZYYXOFSF-AWEZNQCLSA-N 2 2 265.401 2.152 50 0 CEAALP CCOC(=O)c1c[nH+]c2ccccc2c1N1CC[NH+](C)CC1 ZINC000019897570 361565826 /nfs/dbraw/zinc/56/58/26/361565826.db2.gz CMWRGZCAJGWZCJ-UHFFFAOYSA-N 2 2 299.374 2.163 50 0 CEAALP CC1(C)C[NH+]=C(N2CC[NH+](C[C@@H]3CCCCO3)CC2)S1 ZINC000085821301 363837879 /nfs/dbraw/zinc/83/78/79/363837879.db2.gz QFWRFDDZZKWHOA-ZDUSSCGKSA-N 2 2 297.468 2.055 50 0 CEAALP Cc1ccc([C@H](O)C[NH2+]Cc2cccc3[nH+]ccn32)cc1 ZINC000089629836 363984979 /nfs/dbraw/zinc/98/49/79/363984979.db2.gz DJSZQSCTEOZRMW-MRXNPFEDSA-N 2 2 281.359 2.466 50 0 CEAALP CC[NH2+]C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000096444091 364424265 /nfs/dbraw/zinc/42/42/65/364424265.db2.gz DXGGQYZIWOTPKY-UHFFFAOYSA-N 2 2 262.401 2.487 50 0 CEAALP CC[NH+]1CCC([NH2+]Cc2c[nH]nc2C(C)(C)C)CC1 ZINC000097159552 364468065 /nfs/dbraw/zinc/46/80/65/364468065.db2.gz UNVISAFIMMMCJJ-UHFFFAOYSA-N 2 2 264.417 2.281 50 0 CEAALP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cc(F)cc(F)c1 ZINC000097229833 364482785 /nfs/dbraw/zinc/48/27/85/364482785.db2.gz IDKGWNACAOMSPH-JTQLQIEISA-N 2 2 251.280 2.340 50 0 CEAALP CN(C)c1ccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cn1 ZINC000244773750 370797595 /nfs/dbraw/zinc/79/75/95/370797595.db2.gz PFRLMIDEOQISEA-CQSZACIVSA-N 2 2 285.395 2.250 50 0 CEAALP CN(C)c1ccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cn1 ZINC000244773750 370797601 /nfs/dbraw/zinc/79/76/01/370797601.db2.gz PFRLMIDEOQISEA-CQSZACIVSA-N 2 2 285.395 2.250 50 0 CEAALP CC[C@@H](c1ccccn1)[N@H+](C)Cc1cc2n(n1)CCC[NH2+]C2 ZINC000215428483 370176726 /nfs/dbraw/zinc/17/67/26/370176726.db2.gz HPXAORBXGVWLCV-KRWDZBQOSA-N 2 2 299.422 2.355 50 0 CEAALP CC[C@@H](c1ccccn1)[N@@H+](C)Cc1cc2n(n1)CCC[NH2+]C2 ZINC000215428483 370176734 /nfs/dbraw/zinc/17/67/34/370176734.db2.gz HPXAORBXGVWLCV-KRWDZBQOSA-N 2 2 299.422 2.355 50 0 CEAALP CCc1nccc(C[N@H+](C)CC[C@@H](C)[NH+]2CCCC2)n1 ZINC000219721762 370226805 /nfs/dbraw/zinc/22/68/05/370226805.db2.gz XINNOMMIEBJQEG-CQSZACIVSA-N 2 2 276.428 2.345 50 0 CEAALP CCc1nccc(C[N@@H+](C)CC[C@@H](C)[NH+]2CCCC2)n1 ZINC000219721762 370226807 /nfs/dbraw/zinc/22/68/07/370226807.db2.gz XINNOMMIEBJQEG-CQSZACIVSA-N 2 2 276.428 2.345 50 0 CEAALP C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1cncn1C ZINC000225386122 370291821 /nfs/dbraw/zinc/29/18/21/370291821.db2.gz WCDRZJMOJRWAMB-ZDUSSCGKSA-N 2 2 285.395 2.135 50 0 CEAALP CC(C)c1ncc(C[N@H+](C)C[C@H]2CCC[NH2+]C2)cn1 ZINC000261640357 371688885 /nfs/dbraw/zinc/68/88/85/371688885.db2.gz AEJJCYACVRUARR-ZDUSSCGKSA-N 2 2 262.401 2.031 50 0 CEAALP CC(C)c1ncc(C[N@@H+](C)C[C@H]2CCC[NH2+]C2)cn1 ZINC000261640357 371688888 /nfs/dbraw/zinc/68/88/88/371688888.db2.gz 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CCN(CC[NH+]1CCCCCC1)Cc1[nH]cc(C)[nH+]1 ZINC000097653976 364514220 /nfs/dbraw/zinc/51/42/20/364514220.db2.gz CZICGVGZBCWTOR-UHFFFAOYSA-N 2 2 264.417 2.416 50 0 CEAALP CC(C)[NH+]1CCN(Cc2c[nH+]cn2Cc2ccccc2)CC1 ZINC000244707970 370796283 /nfs/dbraw/zinc/79/62/83/370796283.db2.gz KKZIUXLXMZMGFJ-UHFFFAOYSA-N 2 2 298.434 2.457 50 0 CEAALP C[NH+](C)C1(CNc2[nH+]cnc3[nH]ccc32)CCCC1 ZINC000299693895 379110554 /nfs/dbraw/zinc/11/05/54/379110554.db2.gz VMDWMSWWEZJUKO-UHFFFAOYSA-N 2 2 259.357 2.244 50 0 CEAALP Cc1cc[nH+]c(N2CCC([N@H+]3CCO[C@H](C)C3)CC2)c1 ZINC000091453749 135070459 /nfs/dbraw/zinc/07/04/59/135070459.db2.gz PWLCQVUUUPCZKC-CQSZACIVSA-N 2 2 275.396 2.080 50 0 CEAALP Cc1cc[nH+]c(N2CCC([N@@H+]3CCO[C@H](C)C3)CC2)c1 ZINC000091453749 135070463 /nfs/dbraw/zinc/07/04/63/135070463.db2.gz PWLCQVUUUPCZKC-CQSZACIVSA-N 2 2 275.396 2.080 50 0 CEAALP C[C@@H](C(=O)Nc1ccccc1F)[N@H+](C)C1CC[NH+](C)CC1 ZINC000006939289 170257205 /nfs/dbraw/zinc/25/72/05/170257205.db2.gz UPAFXMGKVIMZAB-LBPRGKRZSA-N 2 2 293.386 2.179 50 0 CEAALP C[C@@H](C(=O)Nc1ccccc1F)[N@@H+](C)C1CC[NH+](C)CC1 ZINC000006939289 170257206 /nfs/dbraw/zinc/25/72/06/170257206.db2.gz UPAFXMGKVIMZAB-LBPRGKRZSA-N 2 2 293.386 2.179 50 0 CEAALP Cc1cc2[nH+]cn(C[C@H](O)C[NH+]3CCCC3)c2cc1C ZINC000044344415 175164451 /nfs/dbraw/zinc/16/44/51/175164451.db2.gz UNHDGSCDWJGOEL-CQSZACIVSA-N 2 2 273.380 2.110 50 0 CEAALP C[C@H](C[NH2+]Cc1c[nH]nc1C(C)(C)C)Cn1cc[nH+]c1 ZINC000071837073 176274202 /nfs/dbraw/zinc/27/42/02/176274202.db2.gz PJYBRYPKNKONRM-GFCCVEGCSA-N 2 2 275.400 2.330 50 0 CEAALP CN(CC1CCCCC1)c1cc(C2CC([NH3+])C2)[nH+]c(N)n1 ZINC000219565843 567948415 /nfs/dbraw/zinc/94/84/15/567948415.db2.gz FKMNJNPZACLBHK-UHFFFAOYSA-N 2 2 289.427 2.280 50 0 CEAALP C[NH+]1CCC([N@H+](Cc2cccnc2)C2CCOCC2)CC1 ZINC000169752282 639634769 /nfs/dbraw/zinc/63/47/69/639634769.db2.gz ZGCGTBOYOQJCSC-UHFFFAOYSA-N 2 2 289.423 2.157 50 0 CEAALP C[NH+]1CCC([N@@H+](Cc2cccnc2)C2CCOCC2)CC1 ZINC000169752282 639634772 /nfs/dbraw/zinc/63/47/72/639634772.db2.gz ZGCGTBOYOQJCSC-UHFFFAOYSA-N 2 2 289.423 2.157 50 0 CEAALP Cc1n[nH]c(C)c1C[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000037156718 815021506 /nfs/dbraw/zinc/02/15/06/815021506.db2.gz SZBFBYMKRJJXEU-AWEZNQCLSA-N 2 2 275.400 2.428 50 0 CEAALP CC[NH+]1CCC([NH2+]Cc2cccc(OC)c2OC)CC1 ZINC000037976729 361968677 /nfs/dbraw/zinc/96/86/77/361968677.db2.gz XSQQQJQESRMDOJ-UHFFFAOYSA-N 2 2 278.396 2.278 50 0 CEAALP Cc1cc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)no1 ZINC000044692803 362155502 /nfs/dbraw/zinc/15/55/02/362155502.db2.gz GPKUWCCLXDDBCJ-UHFFFAOYSA-N 2 2 272.352 2.137 50 0 CEAALP COc1ccc(C[N@H+](C)C2CC[NH+](C)CC2)c(OC)c1 ZINC000003684325 343352618 /nfs/dbraw/zinc/35/26/18/343352618.db2.gz MUIFMSUKSBLACZ-UHFFFAOYSA-N 2 2 278.396 2.230 50 0 CEAALP COc1ccc(C[N@@H+](C)C2CC[NH+](C)CC2)c(OC)c1 ZINC000003684325 343352620 /nfs/dbraw/zinc/35/26/20/343352620.db2.gz MUIFMSUKSBLACZ-UHFFFAOYSA-N 2 2 278.396 2.230 50 0 CEAALP Cc1nc(NCC[N@@H+]2CCCC[C@H]2CO)cc(C(C)C)[nH+]1 ZINC000065383908 362813688 /nfs/dbraw/zinc/81/36/88/362813688.db2.gz ADENQBPKQNGXGX-AWEZNQCLSA-N 2 2 292.427 2.167 50 0 CEAALP Cc1nc(NCC[N@H+]2CCCC[C@H]2CO)cc(C(C)C)[nH+]1 ZINC000065383908 362813690 /nfs/dbraw/zinc/81/36/90/362813690.db2.gz ADENQBPKQNGXGX-AWEZNQCLSA-N 2 2 292.427 2.167 50 0 CEAALP c1cn(-c2ccc(OCC[NH+]3CCCC3)cc2)c[nH+]1 ZINC000065488105 362826735 /nfs/dbraw/zinc/82/67/35/362826735.db2.gz KAUXTEVIOHGERC-UHFFFAOYSA-N 2 2 257.337 2.347 50 0 CEAALP CCc1ccccc1OCC[NH2+]CCc1c[nH]c[nH+]1 ZINC000065525549 362829967 /nfs/dbraw/zinc/82/99/67/362829967.db2.gz FMOROGUHTQKPHV-UHFFFAOYSA-N 2 2 259.353 2.183 50 0 CEAALP CCc1ccccc1OCC[NH2+]CCc1c[nH+]c[nH]1 ZINC000065525549 362829970 /nfs/dbraw/zinc/82/99/70/362829970.db2.gz FMOROGUHTQKPHV-UHFFFAOYSA-N 2 2 259.353 2.183 50 0 CEAALP C[C@@H]1C[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)CCO1 ZINC000066561957 362874547 /nfs/dbraw/zinc/87/45/47/362874547.db2.gz VFSGJZOZIJSJQG-MRXNPFEDSA-N 2 2 288.435 2.414 50 0 CEAALP C[C@@H]1C[N@H+](C2CC[NH+](CCc3ccccc3)CC2)CCO1 ZINC000066561957 362874550 /nfs/dbraw/zinc/87/45/50/362874550.db2.gz VFSGJZOZIJSJQG-MRXNPFEDSA-N 2 2 288.435 2.414 50 0 CEAALP C[C@@H]1C[C@H]([NH2+]C[C@@H](c2ccccc2)C(C)(C)CO)C[N@@H+]1C ZINC000090658136 180018747 /nfs/dbraw/zinc/01/87/47/180018747.db2.gz AKDBWVCJHLHGKH-PVAVHDDUSA-N 2 2 290.451 2.471 50 0 CEAALP C[C@@H]1C[C@H]([NH2+]C[C@@H](c2ccccc2)C(C)(C)CO)C[N@H+]1C ZINC000090658136 180018748 /nfs/dbraw/zinc/01/87/48/180018748.db2.gz AKDBWVCJHLHGKH-PVAVHDDUSA-N 2 2 290.451 2.471 50 0 CEAALP CCCn1cc[nH+]c1CN1C[C@H]([NH+](C)C)[C@@H](C2CC2)C1 ZINC000091535921 180181997 /nfs/dbraw/zinc/18/19/97/180181997.db2.gz IITBYISLBPOZJH-CABCVRRESA-N 2 2 276.428 2.065 50 0 CEAALP CC[N@H+](C)C[C@@H]1C[NH+](Cc2cccc(Cl)c2)C[C@@H]1CO ZINC000091645487 180214802 /nfs/dbraw/zinc/21/48/02/180214802.db2.gz AQTOICIPCUDQFU-HUUCEWRRSA-N 2 2 296.842 2.332 50 0 CEAALP CC[N@@H+](C)C[C@@H]1C[NH+](Cc2cccc(Cl)c2)C[C@@H]1CO ZINC000091645487 180214804 /nfs/dbraw/zinc/21/48/04/180214804.db2.gz AQTOICIPCUDQFU-HUUCEWRRSA-N 2 2 296.842 2.332 50 0 CEAALP CC[NH+](C)C[C@@H]1C[N@H+](Cc2cccc(Cl)c2)C[C@@H]1CO ZINC000091645487 180214805 /nfs/dbraw/zinc/21/48/05/180214805.db2.gz AQTOICIPCUDQFU-HUUCEWRRSA-N 2 2 296.842 2.332 50 0 CEAALP CC[NH+](C)C[C@@H]1C[N@@H+](Cc2cccc(Cl)c2)C[C@@H]1CO ZINC000091645487 180214806 /nfs/dbraw/zinc/21/48/06/180214806.db2.gz AQTOICIPCUDQFU-HUUCEWRRSA-N 2 2 296.842 2.332 50 0 CEAALP CCOC(=O)CCCC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000075144022 363444076 /nfs/dbraw/zinc/44/40/76/363444076.db2.gz JTBFUKUTOQFDMU-UHFFFAOYSA-N 2 2 279.384 2.253 50 0 CEAALP Cc1c[nH+]c(C)nc1N1CCC2(CCC[N@@H+](C)C2)CC1 ZINC000670454113 540417124 /nfs/dbraw/zinc/41/71/24/540417124.db2.gz CNXGHCDAXDETGQ-UHFFFAOYSA-N 2 2 274.412 2.406 50 0 CEAALP Cc1c[nH+]c(C)nc1N1CCC2(CCC[N@H+](C)C2)CC1 ZINC000670454113 540417125 /nfs/dbraw/zinc/41/71/25/540417125.db2.gz CNXGHCDAXDETGQ-UHFFFAOYSA-N 2 2 274.412 2.406 50 0 CEAALP CC[NH+]1CCC([NH+]2CCN(c3ccc(F)cc3)CC2)CC1 ZINC000000279502 361155833 /nfs/dbraw/zinc/15/58/33/361155833.db2.gz TVTQANIMWNRISS-UHFFFAOYSA-N 2 2 291.414 2.432 50 0 CEAALP C[C@@H]1C[N@H+](C2CC[NH+](Cc3ccccn3)CC2)C[C@H](C)O1 ZINC000012363301 361379314 /nfs/dbraw/zinc/37/93/14/361379314.db2.gz RFBDWXWUTHLRTG-GASCZTMLSA-N 2 2 289.423 2.155 50 0 CEAALP C[C@@H]1C[N@@H+](C2CC[NH+](Cc3ccccn3)CC2)C[C@H](C)O1 ZINC000012363301 361379323 /nfs/dbraw/zinc/37/93/23/361379323.db2.gz RFBDWXWUTHLRTG-GASCZTMLSA-N 2 2 289.423 2.155 50 0 CEAALP COc1ccc(C[C@@H](C)[NH2+]CCc2c[nH]c[nH+]2)cc1 ZINC000023283061 361597257 /nfs/dbraw/zinc/59/72/57/361597257.db2.gz GWRJMMSMNYHHHG-GFCCVEGCSA-N 2 2 259.353 2.182 50 0 CEAALP COc1ccc(C[C@@H](C)[NH2+]CCc2c[nH+]c[nH]2)cc1 ZINC000023283061 361597260 /nfs/dbraw/zinc/59/72/60/361597260.db2.gz GWRJMMSMNYHHHG-GFCCVEGCSA-N 2 2 259.353 2.182 50 0 CEAALP C[NH+](C)CCNC[C@@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000023352668 361597714 /nfs/dbraw/zinc/59/77/14/361597714.db2.gz UKEDTINNWQDFFR-HNNXBMFYSA-N 2 2 293.430 2.189 50 0 CEAALP C[NH+](C)CCNC[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000023352668 361597719 /nfs/dbraw/zinc/59/77/19/361597719.db2.gz UKEDTINNWQDFFR-HNNXBMFYSA-N 2 2 293.430 2.189 50 0 CEAALP CN(C)CC[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000023352668 361597722 /nfs/dbraw/zinc/59/77/22/361597722.db2.gz UKEDTINNWQDFFR-HNNXBMFYSA-N 2 2 293.430 2.189 50 0 CEAALP CN(C)CC[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000023352668 361597724 /nfs/dbraw/zinc/59/77/24/361597724.db2.gz UKEDTINNWQDFFR-HNNXBMFYSA-N 2 2 293.430 2.189 50 0 CEAALP C[C@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)C(=O)NC1CC1 ZINC000095401962 364359804 /nfs/dbraw/zinc/35/98/04/364359804.db2.gz KQQXONODNPGVMS-STQMWFEESA-N 2 2 298.390 2.190 50 0 CEAALP COc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)[NH2+]C3)c(C)c1C ZINC000097475108 364505328 /nfs/dbraw/zinc/50/53/28/364505328.db2.gz JCIRAKWHGSBKNI-HOCLYGCPSA-N 2 2 274.408 2.496 50 0 CEAALP COc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)[NH2+]C3)c(C)c1C ZINC000097475108 364505334 /nfs/dbraw/zinc/50/53/34/364505334.db2.gz JCIRAKWHGSBKNI-HOCLYGCPSA-N 2 2 274.408 2.496 50 0 CEAALP C[N@@H+]1CCC[C@H]1CCNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000097655331 364513905 /nfs/dbraw/zinc/51/39/05/364513905.db2.gz RIHGIABNKTXTIJ-HNNXBMFYSA-N 2 2 298.390 2.086 50 0 CEAALP C[N@H+]1CCC[C@H]1CCNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000097655331 364513911 /nfs/dbraw/zinc/51/39/11/364513911.db2.gz RIHGIABNKTXTIJ-HNNXBMFYSA-N 2 2 298.390 2.086 50 0 CEAALP Cn1c[nH+]cc1CN1C[C@H]([NH+](C)C)CCc2ccccc21 ZINC000585117105 367178851 /nfs/dbraw/zinc/17/88/51/367178851.db2.gz QTLFMDUWGUKWRV-OAHLLOKOSA-N 2 2 284.407 2.303 50 0 CEAALP Cn1c[nH+]cc1CN1C[C@@H]([NH+](C)C)CCc2ccccc21 ZINC000585117104 367179191 /nfs/dbraw/zinc/17/91/91/367179191.db2.gz QTLFMDUWGUKWRV-HNNXBMFYSA-N 2 2 284.407 2.303 50 0 CEAALP CSCC[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195282831 370123143 /nfs/dbraw/zinc/12/31/43/370123143.db2.gz SSRRDVYHIAMMJF-OAHLLOKOSA-N 2 2 279.453 2.198 50 0 CEAALP CSCC[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195282831 370123146 /nfs/dbraw/zinc/12/31/46/370123146.db2.gz SSRRDVYHIAMMJF-OAHLLOKOSA-N 2 2 279.453 2.198 50 0 CEAALP CSCC[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195282831 370123149 /nfs/dbraw/zinc/12/31/49/370123149.db2.gz SSRRDVYHIAMMJF-OAHLLOKOSA-N 2 2 279.453 2.198 50 0 CEAALP CSCC[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195282831 370123154 /nfs/dbraw/zinc/12/31/54/370123154.db2.gz SSRRDVYHIAMMJF-OAHLLOKOSA-N 2 2 279.453 2.198 50 0 CEAALP c1c(C[N@@H+]2CCCC[C@@H]2c2cccnc2)nn2c1C[NH2+]CC2 ZINC000216504569 370188234 /nfs/dbraw/zinc/18/82/34/370188234.db2.gz PNIIPMLBRVPOPE-QGZVFWFLSA-N 2 2 297.406 2.109 50 0 CEAALP c1c(C[N@H+]2CCCC[C@@H]2c2cccnc2)nn2c1C[NH2+]CC2 ZINC000216504569 370188240 /nfs/dbraw/zinc/18/82/40/370188240.db2.gz PNIIPMLBRVPOPE-QGZVFWFLSA-N 2 2 297.406 2.109 50 0 CEAALP c1ccc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)nc1 ZINC000236742931 370618272 /nfs/dbraw/zinc/61/82/72/370618272.db2.gz QFWASALLBNEHHC-CQSZACIVSA-N 2 2 268.364 2.411 50 0 CEAALP c1ccc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)nc1 ZINC000236742931 370618276 /nfs/dbraw/zinc/61/82/76/370618276.db2.gz QFWASALLBNEHHC-CQSZACIVSA-N 2 2 268.364 2.411 50 0 CEAALP C[C@H]1CN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)CC[NH2+]1 ZINC000269178305 372366632 /nfs/dbraw/zinc/36/66/32/372366632.db2.gz CKXZJTDUFCEMIH-ZDUSSCGKSA-N 2 2 297.358 2.308 50 0 CEAALP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@@H+](Cc1cc3ccccc3[nH]1)C2 ZINC000426405768 377404606 /nfs/dbraw/zinc/40/46/06/377404606.db2.gz RTWFRWBKUUUHGE-YWVIFJGQSA-N 2 2 255.365 2.337 50 0 CEAALP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@H+](Cc1cc3ccccc3[nH]1)C2 ZINC000426405768 377404612 /nfs/dbraw/zinc/40/46/12/377404612.db2.gz RTWFRWBKUUUHGE-YWVIFJGQSA-N 2 2 255.365 2.337 50 0 CEAALP CCCc1ccc(C[N@@H+]2CCOC[C@H](C[NH+](C)C)C2)o1 ZINC000072168992 394591368 /nfs/dbraw/zinc/59/13/68/394591368.db2.gz OFAHHYZLZBKHAE-CQSZACIVSA-N 2 2 280.412 2.242 50 0 CEAALP CCCc1ccc(C[N@H+]2CCOC[C@H](C[NH+](C)C)C2)o1 ZINC000072168992 394591375 /nfs/dbraw/zinc/59/13/75/394591375.db2.gz OFAHHYZLZBKHAE-CQSZACIVSA-N 2 2 280.412 2.242 50 0 CEAALP Cc1cc2ccccc2c(N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)[nH+]1 ZINC000108381341 394730067 /nfs/dbraw/zinc/73/00/67/394730067.db2.gz XVVPNCUHPAFWMZ-LSDHHAIUSA-N 2 2 299.418 2.435 50 0 CEAALP Cc1cc2ccccc2c(N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)[nH+]1 ZINC000108381341 394730068 /nfs/dbraw/zinc/73/00/68/394730068.db2.gz XVVPNCUHPAFWMZ-LSDHHAIUSA-N 2 2 299.418 2.435 50 0 CEAALP CC(C)N(C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C[NH+](C)C)C1)C(C)C ZINC000107543027 400265072 /nfs/dbraw/zinc/26/50/72/400265072.db2.gz BQEKNVSLOIYTCQ-CVEARBPZSA-N 2 2 297.487 2.294 50 0 CEAALP CC(C)N(C(=O)[C@@H](C)[N@H+]1CCC[C@@H](C[NH+](C)C)C1)C(C)C ZINC000107543027 400265077 /nfs/dbraw/zinc/26/50/77/400265077.db2.gz BQEKNVSLOIYTCQ-CVEARBPZSA-N 2 2 297.487 2.294 50 0 CEAALP Cc1ccccc1CC[NH+]1CCN(Cc2[nH+]ccn2C)CC1 ZINC000020453974 171208268 /nfs/dbraw/zinc/20/82/68/171208268.db2.gz KISQLFMREWCBAK-UHFFFAOYSA-N 2 2 298.434 2.089 50 0 CEAALP CC(C)[C@@H]1CN(Cc2[nH]cc[nH+]2)CCC[N@@H+]1CC1CC1 ZINC000071552045 176196589 /nfs/dbraw/zinc/19/65/89/176196589.db2.gz WHFGOTVOWTWDNC-HNNXBMFYSA-N 2 2 276.428 2.352 50 0 CEAALP CC(C)[C@@H]1CN(Cc2[nH]cc[nH+]2)CCC[N@H+]1CC1CC1 ZINC000071552045 176196590 /nfs/dbraw/zinc/19/65/90/176196590.db2.gz WHFGOTVOWTWDNC-HNNXBMFYSA-N 2 2 276.428 2.352 50 0 CEAALP c1nc2ccccn2c1C[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000097889490 534538125 /nfs/dbraw/zinc/53/81/25/534538125.db2.gz PECQCXDDIOUYSO-UHFFFAOYSA-N 2 2 295.390 2.199 50 0 CEAALP Cc1ccc(N2CCC([NH2+][C@@H]3CC[N@@H+](C)C3)CC2)cc1 ZINC000584904061 345004681 /nfs/dbraw/zinc/00/46/81/345004681.db2.gz JEBMRZFNKDOTHL-MRXNPFEDSA-N 2 2 273.424 2.258 50 0 CEAALP Cc1ccc(N2CCC([NH2+][C@@H]3CC[N@H+](C)C3)CC2)cc1 ZINC000584904061 345004684 /nfs/dbraw/zinc/00/46/84/345004684.db2.gz JEBMRZFNKDOTHL-MRXNPFEDSA-N 2 2 273.424 2.258 50 0 CEAALP NC(=[NH2+])Nc1ccc(-n2cc[nH+]c2)cc1C(F)(F)F ZINC000585139273 345007840 /nfs/dbraw/zinc/00/78/40/345007840.db2.gz ODJFZIYQLLVUDG-UHFFFAOYSA-N 2 2 269.230 2.196 50 0 CEAALP Cc1ccc(C[N@H+](CCCO)Cc2c[nH+]c(C)[nH]2)s1 ZINC000055310078 362547497 /nfs/dbraw/zinc/54/74/97/362547497.db2.gz VHUFAYDDARJVJN-UHFFFAOYSA-N 2 2 279.409 2.473 50 0 CEAALP Cc1ccc(C[N@@H+](CCCO)Cc2c[nH+]c(C)[nH]2)s1 ZINC000055310078 362547503 /nfs/dbraw/zinc/54/75/03/362547503.db2.gz VHUFAYDDARJVJN-UHFFFAOYSA-N 2 2 279.409 2.473 50 0 CEAALP CCc1c[nH+]c(C)nc1NC[C@]1([NH+](C)C)CCSC1 ZINC000065435809 362822621 /nfs/dbraw/zinc/82/26/21/362822621.db2.gz BVQWDZSNTCWMHR-CQSZACIVSA-N 2 2 280.441 2.197 50 0 CEAALP c1c[nH+]c(CN2CC[NH+](CCCc3ccccc3)CC2)[nH]1 ZINC000075612269 363478320 /nfs/dbraw/zinc/47/83/20/363478320.db2.gz ZASBXNOQEYCAKB-UHFFFAOYSA-N 2 2 284.407 2.160 50 0 CEAALP Cc1nc(N(C)Cc2ccccc2C[NH+](C)C)cc[nH+]1 ZINC000670443016 540412309 /nfs/dbraw/zinc/41/23/09/540412309.db2.gz XXHUGTIWFDFKDK-UHFFFAOYSA-N 2 2 270.380 2.483 50 0 CEAALP CCc1ccc(C[NH2+]CCC[NH+]2CCOCC2)cc1 ZINC000002510433 361236702 /nfs/dbraw/zinc/23/67/02/361236702.db2.gz GNNCDEOTPDWRAC-UHFFFAOYSA-N 2 2 262.397 2.061 50 0 CEAALP [NH3+]Cc1nc2ccc(-c3ccc4[nH]c(C[NH3+])nc4c3)cc2[nH]1 ZINC000006694598 361338860 /nfs/dbraw/zinc/33/88/60/361338860.db2.gz SLZRUIZPOYOWSO-UHFFFAOYSA-N 2 2 292.346 2.024 50 0 CEAALP [NH3+]Cc1nc2ccc(-c3ccc4nc(C[NH3+])[nH]c4c3)cc2[nH]1 ZINC000006694598 361338863 /nfs/dbraw/zinc/33/88/63/361338863.db2.gz SLZRUIZPOYOWSO-UHFFFAOYSA-N 2 2 292.346 2.024 50 0 CEAALP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(NC(C)=O)cc1 ZINC000023479835 361599371 /nfs/dbraw/zinc/59/93/71/361599371.db2.gz BZOLDZPVEAVDKB-MRXNPFEDSA-N 2 2 275.396 2.219 50 0 CEAALP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(NC(C)=O)cc1 ZINC000023479835 361599375 /nfs/dbraw/zinc/59/93/75/361599375.db2.gz BZOLDZPVEAVDKB-MRXNPFEDSA-N 2 2 275.396 2.219 50 0 CEAALP Cc1cccc(NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)[nH+]1 ZINC000097163399 364470040 /nfs/dbraw/zinc/47/00/40/364470040.db2.gz XQHZKRJLUKREJY-IRXDYDNUSA-N 2 2 297.402 2.437 50 0 CEAALP Cc1cccc(NC[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)[nH+]1 ZINC000097163399 364470049 /nfs/dbraw/zinc/47/00/49/364470049.db2.gz XQHZKRJLUKREJY-IRXDYDNUSA-N 2 2 297.402 2.437 50 0 CEAALP c1ccc(NC[C@H]2CC[N@H+](Cc3cccnc3)C2)[nH+]c1 ZINC000097200664 364476197 /nfs/dbraw/zinc/47/61/97/364476197.db2.gz UTRCZSNMZQYXLB-OAHLLOKOSA-N 2 2 268.364 2.411 50 0 CEAALP c1ccc(NC[C@H]2CC[N@@H+](Cc3cccnc3)C2)[nH+]c1 ZINC000097200664 364476201 /nfs/dbraw/zinc/47/62/01/364476201.db2.gz UTRCZSNMZQYXLB-OAHLLOKOSA-N 2 2 268.364 2.411 50 0 CEAALP Cc1cc(CNc2cc([C@H]3C[C@H]([NH3+])C3)ncn2)c[nH+]c1C ZINC000244678541 370793797 /nfs/dbraw/zinc/79/37/97/370793797.db2.gz IFNFWGWOZFBIED-HDJSIYSDSA-N 2 2 283.379 2.305 50 0 CEAALP CC[N@@H+]1CC[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[NH+]3C)[C@@H](C)C1 ZINC000245339325 370809016 /nfs/dbraw/zinc/80/90/16/370809016.db2.gz SARVBRDOJFVVRO-MKXAEBJUSA-N 3 2 279.472 2.322 50 0 CEAALP CC[N@H+]1CC[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[NH+]3C)[C@@H](C)C1 ZINC000245339325 370809020 /nfs/dbraw/zinc/80/90/20/370809020.db2.gz SARVBRDOJFVVRO-MKXAEBJUSA-N 3 2 279.472 2.322 50 0 CEAALP CC[NH+]1CC[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@@H](C)C1 ZINC000245339325 370809026 /nfs/dbraw/zinc/80/90/26/370809026.db2.gz SARVBRDOJFVVRO-MKXAEBJUSA-N 3 2 279.472 2.322 50 0 CEAALP CC[NH+]1CC[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[C@@H](C)C1 ZINC000245339325 370809030 /nfs/dbraw/zinc/80/90/30/370809030.db2.gz SARVBRDOJFVVRO-MKXAEBJUSA-N 3 2 279.472 2.322 50 0 CEAALP Cn1ncc2c1nc[nH+]c2SCCC[NH+]1CCCCC1 ZINC000187677470 369201134 /nfs/dbraw/zinc/20/11/34/369201134.db2.gz YAWNLZVGOAFUMY-UHFFFAOYSA-N 2 2 291.424 2.331 50 0 CEAALP C[C@@H]([NH2+]C[C@H](O)C(F)(F)F)c1cccc(-n2cc[nH+]c2)c1 ZINC000195577350 370143772 /nfs/dbraw/zinc/14/37/72/370143772.db2.gz KWTKFWNYZRWMIX-MFKMUULPSA-N 2 2 299.296 2.446 50 0 CEAALP CCCn1cc[nH+]c1CN1CCN(c2cc[nH+]cc2)CC1 ZINC000216541674 370189240 /nfs/dbraw/zinc/18/92/40/370189240.db2.gz RKLDDEIHUTVWKZ-UHFFFAOYSA-N 2 2 285.395 2.010 50 0 CEAALP CC[N@@H+]1CCC[C@@H](CN2CC[NH+](Cc3ccco3)CC2)C1 ZINC000252481441 371443324 /nfs/dbraw/zinc/44/33/24/371443324.db2.gz CMGZPKOMAMNTJK-MRXNPFEDSA-N 2 2 291.439 2.129 50 0 CEAALP CC[N@H+]1CCC[C@@H](CN2CC[NH+](Cc3ccco3)CC2)C1 ZINC000252481441 371443326 /nfs/dbraw/zinc/44/33/26/371443326.db2.gz CMGZPKOMAMNTJK-MRXNPFEDSA-N 2 2 291.439 2.129 50 0 CEAALP CC[N@@H+]1CCC[C@@H](C[NH+]2CCN(Cc3ccco3)CC2)C1 ZINC000252481441 371443328 /nfs/dbraw/zinc/44/33/28/371443328.db2.gz CMGZPKOMAMNTJK-MRXNPFEDSA-N 2 2 291.439 2.129 50 0 CEAALP CC[N@H+]1CCC[C@@H](C[NH+]2CCN(Cc3ccco3)CC2)C1 ZINC000252481441 371443330 /nfs/dbraw/zinc/44/33/30/371443330.db2.gz CMGZPKOMAMNTJK-MRXNPFEDSA-N 2 2 291.439 2.129 50 0 CEAALP COc1cc(C)ccc1OCC[N@@H+]1CCCC[C@H]1C[NH3+] ZINC000252485192 371444283 /nfs/dbraw/zinc/44/42/83/371444283.db2.gz GOXUTRSBKQMIEO-AWEZNQCLSA-N 2 2 278.396 2.196 50 0 CEAALP COc1cc(C)ccc1OCC[N@H+]1CCCC[C@H]1C[NH3+] ZINC000252485192 371444286 /nfs/dbraw/zinc/44/42/86/371444286.db2.gz GOXUTRSBKQMIEO-AWEZNQCLSA-N 2 2 278.396 2.196 50 0 CEAALP COc1cc(C)ccc1OCC[N@@H+]1CCCC[C@@H]1C[NH3+] ZINC000252485193 371444482 /nfs/dbraw/zinc/44/44/82/371444482.db2.gz GOXUTRSBKQMIEO-CQSZACIVSA-N 2 2 278.396 2.196 50 0 CEAALP COc1cc(C)ccc1OCC[N@H+]1CCCC[C@@H]1C[NH3+] ZINC000252485193 371444488 /nfs/dbraw/zinc/44/44/88/371444488.db2.gz GOXUTRSBKQMIEO-CQSZACIVSA-N 2 2 278.396 2.196 50 0 CEAALP Cc1ccc(NC(=O)CC[N@@H+]2CCCC[C@@H]2C[NH3+])cc1F ZINC000252489447 371444972 /nfs/dbraw/zinc/44/49/72/371444972.db2.gz JRFQZZZBKLSZCV-CQSZACIVSA-N 2 2 293.386 2.276 50 0 CEAALP Cc1ccc(NC(=O)CC[N@H+]2CCCC[C@@H]2C[NH3+])cc1F ZINC000252489447 371444978 /nfs/dbraw/zinc/44/49/78/371444978.db2.gz JRFQZZZBKLSZCV-CQSZACIVSA-N 2 2 293.386 2.276 50 0 CEAALP Cc1c[nH]c([C@@H](C)NC(=O)c2cccc(C[NH+](C)C)c2)[nH+]1 ZINC000426405819 377404882 /nfs/dbraw/zinc/40/48/82/377404882.db2.gz WELFMCOLBIUNIN-GFCCVEGCSA-N 2 2 286.379 2.271 50 0 CEAALP CC(C)[C@H]1C[C@H]([NH2+]CC[NH+](C)C)C[C@@H](C(C)C)O1 ZINC000524732377 395262261 /nfs/dbraw/zinc/26/22/61/395262261.db2.gz XEGBUCKUALIEBF-QDMKHBRRSA-N 2 2 256.434 2.366 50 0 CEAALP Cc1n[nH]cc1C[NH2+]C[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000071837268 176274253 /nfs/dbraw/zinc/27/42/53/176274253.db2.gz AONBIFOATWOXRT-INIZCTEOSA-N 2 2 272.396 2.419 50 0 CEAALP Cc1cc(Nc2ncccn2)cc([C@@H]2CC[NH2+]C2)[nH+]1 ZINC000077010980 177146445 /nfs/dbraw/zinc/14/64/45/177146445.db2.gz VLMZRHIKKDGDIX-LLVKDONJSA-N 2 2 255.325 2.001 50 0 CEAALP Cc1c[nH]c([C@@H](C)[NH2+]C2CC[NH+](CC(C)C)CC2)n1 ZINC000534672409 328348062 /nfs/dbraw/zinc/34/80/62/328348062.db2.gz SQTHLKFFXMSUCX-CYBMUJFWSA-N 2 2 264.417 2.489 50 0 CEAALP C[NH+]1CCC(CNc2cc(N)nc[nH+]2)(c2ccccc2)CC1 ZINC000952973720 616170601 /nfs/dbraw/zinc/17/06/01/616170601.db2.gz AZZXGYCUJUUQBN-UHFFFAOYSA-N 2 2 297.406 2.134 50 0 CEAALP C[N@H+](Cc1ccccc1-n1cccn1)[C@H]1CCC[NH2+]C1 ZINC000067433715 629889540 /nfs/dbraw/zinc/88/95/40/629889540.db2.gz XJUPVTVSVZHESC-HNNXBMFYSA-N 2 2 270.380 2.056 50 0 CEAALP C[N@@H+](Cc1ccccc1-n1cccn1)[C@H]1CCC[NH2+]C1 ZINC000067433715 629889547 /nfs/dbraw/zinc/88/95/47/629889547.db2.gz XJUPVTVSVZHESC-HNNXBMFYSA-N 2 2 270.380 2.056 50 0 CEAALP Cc1nc2ccccc2nc1C[N@@H+]1CCCC[C@H]([NH3+])C1 ZINC000082096373 282081652 /nfs/dbraw/zinc/08/16/52/282081652.db2.gz PSMAOBWCXJUCNV-ZDUSSCGKSA-N 2 2 270.380 2.251 50 0 CEAALP Cc1nc2ccccc2nc1C[N@H+]1CCCC[C@H]([NH3+])C1 ZINC000082096373 282081654 /nfs/dbraw/zinc/08/16/54/282081654.db2.gz PSMAOBWCXJUCNV-ZDUSSCGKSA-N 2 2 270.380 2.251 50 0 CEAALP Cc1cc[nH+]c(N2CC[NH+](C[C@@H]3CCC=CO3)CC2)c1 ZINC000225579469 344546863 /nfs/dbraw/zinc/54/68/63/344546863.db2.gz GPQWXWZFWXDJLF-HNNXBMFYSA-N 2 2 273.380 2.205 50 0 CEAALP COc1ccc(F)cc1C[NH2+]C1CC[NH+](C)CC1 ZINC000075202094 363449514 /nfs/dbraw/zinc/44/95/14/363449514.db2.gz JAAHYPCAVMDZBR-UHFFFAOYSA-N 2 2 252.333 2.018 50 0 CEAALP Nc1ccc2[nH]c(Cc3[nH]c4ccc(N)cc4[nH+]3)[nH+]c2c1 ZINC000000365232 361165944 /nfs/dbraw/zinc/16/59/44/361165944.db2.gz HDSBBGXKULQPBH-UHFFFAOYSA-N 2 2 278.319 2.194 50 0 CEAALP C[C@@H]([NH2+]C[C@H]1CCCn2cc[nH+]c21)c1nc(C2CC2)no1 ZINC000084667652 363818474 /nfs/dbraw/zinc/81/84/74/363818474.db2.gz RNOIEKJLWCXEBU-ZYHUDNBSSA-N 2 2 287.367 2.372 50 0 CEAALP C[NH+](C)CCn1cc[nH+]c1[C@H]1CCCN(c2cc[nH+]cc2)C1 ZINC000095517191 364393603 /nfs/dbraw/zinc/39/36/03/364393603.db2.gz MOWMWSWAUZLTOT-HNNXBMFYSA-N 3 2 299.422 2.224 50 0 CEAALP Cc1ccc(-c2ccc(C[N@@H+]3CCO[C@H](C[NH3+])C3)cc2)o1 ZINC000097532586 364509006 /nfs/dbraw/zinc/50/90/06/364509006.db2.gz NHOMXSJNVCXZPQ-MRXNPFEDSA-N 2 2 286.375 2.415 50 0 CEAALP Cc1ccc(-c2ccc(C[N@H+]3CCO[C@H](C[NH3+])C3)cc2)o1 ZINC000097532586 364509012 /nfs/dbraw/zinc/50/90/12/364509012.db2.gz NHOMXSJNVCXZPQ-MRXNPFEDSA-N 2 2 286.375 2.415 50 0 CEAALP CCc1[nH+]ccn1CC[N@H+](C)C[C@H](O)c1ccccc1 ZINC000244874343 370802945 /nfs/dbraw/zinc/80/29/45/370802945.db2.gz WZROZKVFEFEUJQ-HNNXBMFYSA-N 2 2 273.380 2.111 50 0 CEAALP CCc1[nH+]ccn1CC[N@@H+](C)C[C@H](O)c1ccccc1 ZINC000244874343 370802949 /nfs/dbraw/zinc/80/29/49/370802949.db2.gz WZROZKVFEFEUJQ-HNNXBMFYSA-N 2 2 273.380 2.111 50 0 CEAALP Cn1c2ccc(NC(=O)[C@@H]3CCC[NH2+]3)cc2[nH+]c1C1CC1 ZINC000195554892 370140822 /nfs/dbraw/zinc/14/08/22/370140822.db2.gz UTKVXYFNSYYTDL-LBPRGKRZSA-N 2 2 284.363 2.141 50 0 CEAALP c1cn(C[C@@H]2CCC[N@@H+]2Cc2ccc3c(c2)CCO3)c[nH+]1 ZINC000195573477 370143942 /nfs/dbraw/zinc/14/39/42/370143942.db2.gz UCSJELSWDBTVMO-INIZCTEOSA-N 2 2 283.375 2.483 50 0 CEAALP c1cn(C[C@@H]2CCC[N@H+]2Cc2ccc3c(c2)CCO3)c[nH+]1 ZINC000195573477 370143945 /nfs/dbraw/zinc/14/39/45/370143945.db2.gz UCSJELSWDBTVMO-INIZCTEOSA-N 2 2 283.375 2.483 50 0 CEAALP C[C@@H](Nc1nc[nH+]c(N)c1Cl)C(C)(C)C[NH+](C)C ZINC000225479741 370298121 /nfs/dbraw/zinc/29/81/21/370298121.db2.gz YMKUTWFYUDVVRL-MRVPVSSYSA-N 2 2 271.796 2.100 50 0 CEAALP C[C@@H](Nc1[nH+]cnc(N)c1Cl)C(C)(C)C[NH+](C)C ZINC000225479741 370298127 /nfs/dbraw/zinc/29/81/27/370298127.db2.gz YMKUTWFYUDVVRL-MRVPVSSYSA-N 2 2 271.796 2.100 50 0 CEAALP CCO[C@@H]1C[C@H]([NH2+][C@H]2C[N@H+](C)C[C@H]2C)C12CCCC2 ZINC000252511544 371452033 /nfs/dbraw/zinc/45/20/33/371452033.db2.gz HWRPGXWRFXTTMB-CBBWQLFWSA-N 2 2 266.429 2.264 50 0 CEAALP CCO[C@@H]1C[C@H]([NH2+][C@H]2C[N@@H+](C)C[C@H]2C)C12CCCC2 ZINC000252511544 371452038 /nfs/dbraw/zinc/45/20/38/371452038.db2.gz HWRPGXWRFXTTMB-CBBWQLFWSA-N 2 2 266.429 2.264 50 0 CEAALP COc1ccc2[nH]c3c(c2c1)CC[NH2+]C31CC[NH+](C)CC1 ZINC000004089645 394455621 /nfs/dbraw/zinc/45/56/21/394455621.db2.gz DMRKOSXILRSCJE-UHFFFAOYSA-N 2 2 285.391 2.243 50 0 CEAALP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc2ccccc2c1 ZINC000008585585 170342146 /nfs/dbraw/zinc/34/21/46/170342146.db2.gz DKDILZBBFKZMRO-OAHLLOKOSA-N 2 2 280.331 2.071 50 0 in-vivo CEAALP c1coc(C[N@H+]2CCC[C@@H](C[NH+]3CCCOCC3)C2)c1 ZINC000020868794 171277140 /nfs/dbraw/zinc/27/71/40/171277140.db2.gz HLBVPGFHSVUIGY-HNNXBMFYSA-N 2 2 278.396 2.214 50 0 CEAALP c1coc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCOCC3)C2)c1 ZINC000020868794 171277141 /nfs/dbraw/zinc/27/71/41/171277141.db2.gz HLBVPGFHSVUIGY-HNNXBMFYSA-N 2 2 278.396 2.214 50 0 CEAALP c1coc(C[NH+]2CCC[C@@H](C[N@@H+]3CCCOCC3)C2)c1 ZINC000020868794 171277142 /nfs/dbraw/zinc/27/71/42/171277142.db2.gz HLBVPGFHSVUIGY-HNNXBMFYSA-N 2 2 278.396 2.214 50 0 CEAALP c1coc(C[NH+]2CCC[C@@H](C[N@H+]3CCCOCC3)C2)c1 ZINC000020868794 171277144 /nfs/dbraw/zinc/27/71/44/171277144.db2.gz HLBVPGFHSVUIGY-HNNXBMFYSA-N 2 2 278.396 2.214 50 0 CEAALP Cc1ccc(-c2n[nH]cc2C[NH2+]CCCn2cc[nH+]c2)o1 ZINC000037249416 173062407 /nfs/dbraw/zinc/06/24/07/173062407.db2.gz HRQAGWMHOGZQTI-UHFFFAOYSA-N 2 2 285.351 2.355 50 0 CEAALP Cc1cccc(C[NH+]2CCN(Cc3[nH+]ccn3C)CC2)c1 ZINC000071090364 176031232 /nfs/dbraw/zinc/03/12/32/176031232.db2.gz DHWOFGQXGZHRCI-UHFFFAOYSA-N 2 2 284.407 2.046 50 0 CEAALP [NH3+]CCc1cccc(C[N@@H+]2CCC[C@H](Cn3cc[nH+]c3)C2)c1 ZINC000072163153 176330392 /nfs/dbraw/zinc/33/03/92/176330392.db2.gz QDJIQUNYQVEBLF-SFHVURJKSA-N 3 2 298.434 2.297 50 0 CEAALP [NH3+]CCc1cccc(C[N@H+]2CCC[C@H](Cn3cc[nH+]c3)C2)c1 ZINC000072163153 176330393 /nfs/dbraw/zinc/33/03/93/176330393.db2.gz QDJIQUNYQVEBLF-SFHVURJKSA-N 3 2 298.434 2.297 50 0 CEAALP Cc1c[nH+]ccc1NCCn1cc[nH+]c1[C@@H]1CCOC1 ZINC000072169133 176332242 /nfs/dbraw/zinc/33/22/42/176332242.db2.gz ZPKHROYUSXFPRB-CYBMUJFWSA-N 2 2 272.352 2.203 50 0 CEAALP O[C@@]1(C[NH+]2CCCC2)CCC[N@H+](Cc2ccsc2)C1 ZINC000077470915 275056202 /nfs/dbraw/zinc/05/62/02/275056202.db2.gz HFSMFOVHALJKNR-OAHLLOKOSA-N 2 2 280.437 2.171 50 0 CEAALP O[C@@]1(C[NH+]2CCCC2)CCC[N@@H+](Cc2ccsc2)C1 ZINC000077470915 275056203 /nfs/dbraw/zinc/05/62/03/275056203.db2.gz HFSMFOVHALJKNR-OAHLLOKOSA-N 2 2 280.437 2.171 50 0 CEAALP C[C@@H]1CC[N@H+](Cc2cscn2)C[C@H]1n1cc[nH+]c1 ZINC000245565086 280250188 /nfs/dbraw/zinc/25/01/88/280250188.db2.gz DNZNJMSBHSWFGH-DGCLKSJQSA-N 2 2 262.382 2.423 50 0 CEAALP C[C@@H]1CC[N@@H+](Cc2cscn2)C[C@H]1n1cc[nH+]c1 ZINC000245565086 280250190 /nfs/dbraw/zinc/25/01/90/280250190.db2.gz DNZNJMSBHSWFGH-DGCLKSJQSA-N 2 2 262.382 2.423 50 0 CEAALP C[NH+](C)C(C)(C)CN[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000125506813 321697047 /nfs/dbraw/zinc/69/70/47/321697047.db2.gz PVZGVNGCGJSMHG-CQSZACIVSA-N 2 2 272.396 2.429 50 0 CEAALP CCc1c[nH+]c(C)nc1NCC1([NH+](C)C)CCCC1 ZINC000534593366 328319018 /nfs/dbraw/zinc/31/90/18/328319018.db2.gz YAONYEOYAMFULK-UHFFFAOYSA-N 2 2 262.401 2.056 50 0 CEAALP O=C(NCC[NH+]1CCCC1)Nc1cccc(-c2c[nH]c[nH+]2)c1 ZINC000097831134 534326818 /nfs/dbraw/zinc/32/68/18/534326818.db2.gz SMZNFIWJTUJSQD-UHFFFAOYSA-N 2 2 299.378 2.294 50 0 CEAALP C[N@H+](Cc1ccccc1-n1cccn1)[C@@H]1CCC[NH2+]C1 ZINC000067433711 629889654 /nfs/dbraw/zinc/88/96/54/629889654.db2.gz XJUPVTVSVZHESC-OAHLLOKOSA-N 2 2 270.380 2.056 50 0 CEAALP C[N@@H+](Cc1ccccc1-n1cccn1)[C@@H]1CCC[NH2+]C1 ZINC000067433711 629889656 /nfs/dbraw/zinc/88/96/56/629889656.db2.gz XJUPVTVSVZHESC-OAHLLOKOSA-N 2 2 270.380 2.056 50 0 CEAALP Cc1cccn2c(C[NH2+]CCCNc3ncccn3)c[nH+]c12 ZINC000083474297 539467085 /nfs/dbraw/zinc/46/70/85/539467085.db2.gz LDTMXAIUOWHLAF-UHFFFAOYSA-N 2 2 296.378 2.025 50 0 CEAALP CCc1c[nH+]c(C)nc1N1CCN(c2[nH+]cccc2C)CC1 ZINC000065397540 362817553 /nfs/dbraw/zinc/81/75/53/362817553.db2.gz RDWXDJUBDOQSPH-UHFFFAOYSA-N 2 2 297.406 2.377 50 0 CEAALP Cc1ccc2c(c1)c(C[NH2+][C@H](C)Cn1cc[nH+]c1)nn2C ZINC000067460315 362908766 /nfs/dbraw/zinc/90/87/66/362908766.db2.gz SJKUJRYACMVHMI-CYBMUJFWSA-N 2 2 283.379 2.257 50 0 CEAALP Cc1cccn2c(C[NH2+][C@H](C)Cn3cc[nH+]c3)cnc12 ZINC000067773565 362924878 /nfs/dbraw/zinc/92/48/78/362924878.db2.gz QHXMBASENOIAEZ-CYBMUJFWSA-N 2 2 269.352 2.018 50 0 CEAALP CCc1nc(C)sc1C[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000067742934 362922657 /nfs/dbraw/zinc/92/26/57/362922657.db2.gz AJMLQERPUDIZQJ-JTQLQIEISA-N 2 2 264.398 2.389 50 0 CEAALP Cc1[nH+]ccn1CCCC(=O)Nc1c[nH+]c2n1CCCC2 ZINC000067894997 362930250 /nfs/dbraw/zinc/93/02/50/362930250.db2.gz UMHKKPFEQSHFSL-UHFFFAOYSA-N 2 2 287.367 2.143 50 0 CEAALP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1nc(C2CCCCC2)no1 ZINC000067967293 362933490 /nfs/dbraw/zinc/93/34/90/362933490.db2.gz VBBWDWOVQSKADX-GFCCVEGCSA-N 2 2 289.383 2.492 50 0 CEAALP C[N@@H+](CC(=O)NC1CCCCC1)C[C@@H]1CC[NH+](C)C1(C)C ZINC000670444036 540412593 /nfs/dbraw/zinc/41/25/93/540412593.db2.gz JSTBOAUTKRAIKV-AWEZNQCLSA-N 2 2 295.471 2.097 50 0 CEAALP C[N@H+](CC(=O)NC1CCCCC1)C[C@@H]1CC[NH+](C)C1(C)C ZINC000670444036 540412598 /nfs/dbraw/zinc/41/25/98/540412598.db2.gz JSTBOAUTKRAIKV-AWEZNQCLSA-N 2 2 295.471 2.097 50 0 CEAALP C[NH+](CC(=O)NC1CCCCC1)C[C@@H]1CC[N@H+](C)C1(C)C ZINC000670444036 540412601 /nfs/dbraw/zinc/41/26/01/540412601.db2.gz JSTBOAUTKRAIKV-AWEZNQCLSA-N 2 2 295.471 2.097 50 0 CEAALP C[NH+](CC(=O)NC1CCCCC1)C[C@@H]1CC[N@@H+](C)C1(C)C ZINC000670444036 540412605 /nfs/dbraw/zinc/41/26/05/540412605.db2.gz JSTBOAUTKRAIKV-AWEZNQCLSA-N 2 2 295.471 2.097 50 0 CEAALP CC(=O)Nc1ccc(C[NH2+][C@H](C)Cn2cc[nH+]c2)cc1 ZINC000030909783 361705112 /nfs/dbraw/zinc/70/51/12/361705112.db2.gz BRVVKAXSAOVUIX-GFCCVEGCSA-N 2 2 272.352 2.020 50 0 CEAALP Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3nccn3C)C2)[nH+]1 ZINC000097200913 364475767 /nfs/dbraw/zinc/47/57/67/364475767.db2.gz TYPMZRVEVVGYCY-AWEZNQCLSA-N 2 2 285.395 2.058 50 0 CEAALP Cc1cccc(NC[C@@H]2CC[N@H+](Cc3nccn3C)C2)[nH+]1 ZINC000097200913 364475770 /nfs/dbraw/zinc/47/57/70/364475770.db2.gz TYPMZRVEVVGYCY-AWEZNQCLSA-N 2 2 285.395 2.058 50 0 CEAALP CN(C)c1ccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cn1 ZINC000244773749 370797635 /nfs/dbraw/zinc/79/76/35/370797635.db2.gz PFRLMIDEOQISEA-AWEZNQCLSA-N 2 2 285.395 2.250 50 0 CEAALP CN(C)c1ccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cn1 ZINC000244773749 370797640 /nfs/dbraw/zinc/79/76/40/370797640.db2.gz PFRLMIDEOQISEA-AWEZNQCLSA-N 2 2 285.395 2.250 50 0 CEAALP c1cc(OCC[C@@H]2CCOC3(CC[NH2+]CC3)C2)cc[nH+]1 ZINC000169676803 367370182 /nfs/dbraw/zinc/37/01/82/367370182.db2.gz AYXGJQJSMRTPAI-CQSZACIVSA-N 2 2 276.380 2.399 50 0 CEAALP CCOC(=O)[C@@H](C)[C@@H](C)[NH2+]Cc1c[nH+]c2c(C)cccn12 ZINC000170086039 367376061 /nfs/dbraw/zinc/37/60/61/367376061.db2.gz NEIQINCKEGHBNN-QWHCGFSZSA-N 2 2 289.379 2.320 50 0 CEAALP Cc1cc(NCc2ccc[nH+]c2N(C)C)nc(C2CC2)[nH+]1 ZINC000346644888 368748122 /nfs/dbraw/zinc/74/81/22/368748122.db2.gz CCPMAJYVJTXZFT-UHFFFAOYSA-N 2 2 283.379 2.157 50 0 CEAALP Cc1n[nH]c(C[N@@H+]2CCC[C@@H](Cn3cc[nH+]c3)C2)c1Cl ZINC000215629063 370178471 /nfs/dbraw/zinc/17/84/71/370178471.db2.gz NUTKXNZHKWHDCN-GFCCVEGCSA-N 2 2 293.802 2.480 50 0 CEAALP Cc1n[nH]c(C[N@H+]2CCC[C@@H](Cn3cc[nH+]c3)C2)c1Cl ZINC000215629063 370178476 /nfs/dbraw/zinc/17/84/76/370178476.db2.gz NUTKXNZHKWHDCN-GFCCVEGCSA-N 2 2 293.802 2.480 50 0 CEAALP CC1(C)C(CNc2cc(C3CC([NH3+])C3)[nH+]c(N)n2)C1(C)C ZINC000220465834 370233911 /nfs/dbraw/zinc/23/39/11/370233911.db2.gz ZGKSTJIXBJYQCP-UHFFFAOYSA-N 2 2 289.427 2.358 50 0 CEAALP c1nc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cs1 ZINC000236744222 370617567 /nfs/dbraw/zinc/61/75/67/370617567.db2.gz ATDRTSCPGKEQLM-GFCCVEGCSA-N 2 2 274.393 2.472 50 0 CEAALP c1nc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cs1 ZINC000236744222 370617575 /nfs/dbraw/zinc/61/75/75/370617575.db2.gz ATDRTSCPGKEQLM-GFCCVEGCSA-N 2 2 274.393 2.472 50 0 CEAALP CC(C)C[C@@H](CNc1nc[nH+]c(N)c1Cl)[NH+](C)C ZINC000277658094 374598914 /nfs/dbraw/zinc/59/89/14/374598914.db2.gz YZJUEEVLAPPXAI-VIFPVBQESA-N 2 2 271.796 2.100 50 0 CEAALP c1cn(C[C@@H]2CCC[N@H+](Cc3cccnc3)C2)c[nH+]1 ZINC000072148568 176325940 /nfs/dbraw/zinc/32/59/40/176325940.db2.gz RHXMMHKTWQQMFU-OAHLLOKOSA-N 2 2 256.353 2.190 50 0 CEAALP c1cn(C[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)c[nH+]1 ZINC000072148568 176325942 /nfs/dbraw/zinc/32/59/42/176325942.db2.gz RHXMMHKTWQQMFU-OAHLLOKOSA-N 2 2 256.353 2.190 50 0 CEAALP Cc1cccc2[nH+]c(CN3CCC[C@@H]([NH+](C)C)C3)cn21 ZINC000078642428 177364848 /nfs/dbraw/zinc/36/48/48/177364848.db2.gz SLFYTXDQTXWFAB-OAHLLOKOSA-N 2 2 272.396 2.169 50 0 CEAALP CC[C@H](Cn1cc[nH+]c1)[NH2+]Cc1c(C)nn(C)c1Cl ZINC000952983766 615751711 /nfs/dbraw/zinc/75/17/11/615751711.db2.gz XOCFYAKFNOVZKJ-LLVKDONJSA-N 2 2 281.791 2.147 50 0 CEAALP Cc1cc(NC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cc[nH+]1 ZINC000096491543 230382532 /nfs/dbraw/zinc/38/25/32/230382532.db2.gz MZWPMENBWSNXBL-AWEZNQCLSA-N 2 2 288.395 2.340 50 0 CEAALP Cc1cccc(OCC[NH2+]CC[NH+]2CCCC2)c1C ZINC000041355152 362031061 /nfs/dbraw/zinc/03/10/61/362031061.db2.gz VPXNBCHLXYFWKN-UHFFFAOYSA-N 2 2 262.397 2.368 50 0 CEAALP c1cnn([C@H]2CCCC[C@H]2[NH2+]CCCn2cc[nH+]c2)c1 ZINC000128324176 187364074 /nfs/dbraw/zinc/36/40/74/187364074.db2.gz CXRHCWFNECHFQD-CABCVRRESA-N 2 2 273.384 2.243 50 0 CEAALP CCCc1c[nH+]c(C)nc1N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000067785662 362924445 /nfs/dbraw/zinc/92/44/45/362924445.db2.gz ASHUFPDWCMPRJF-MRXNPFEDSA-N 2 2 274.412 2.317 50 0 CEAALP COC[C@H](C)[NH2+]CCCc1[nH]c2ccc(F)cc2[nH+]1 ZINC000067818555 362927321 /nfs/dbraw/zinc/92/73/21/362927321.db2.gz KJMDYNSMAVSRRK-JTQLQIEISA-N 2 2 265.332 2.259 50 0 CEAALP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1nc(C2CCCCC2)no1 ZINC000067967291 362932787 /nfs/dbraw/zinc/93/27/87/362932787.db2.gz VBBWDWOVQSKADX-LBPRGKRZSA-N 2 2 289.383 2.492 50 0 CEAALP COc1cccc([C@H]2C[N@@H+](C3CCCC3)C[C@@H]2[NH3+])c1 ZINC000091624700 180209735 /nfs/dbraw/zinc/20/97/35/180209735.db2.gz HFBAUFMGDVFBFZ-CVEARBPZSA-N 2 2 260.381 2.364 50 0 CEAALP COc1cccc([C@H]2C[N@H+](C3CCCC3)C[C@@H]2[NH3+])c1 ZINC000091624700 180209737 /nfs/dbraw/zinc/20/97/37/180209737.db2.gz HFBAUFMGDVFBFZ-CVEARBPZSA-N 2 2 260.381 2.364 50 0 CEAALP Cc1cccc(N2CC[N@H+](Cc3ccccc3)C[C@@H](O)C2)[nH+]1 ZINC000108267991 186209903 /nfs/dbraw/zinc/20/99/03/186209903.db2.gz UBXZQKNMBJYKNP-QGZVFWFLSA-N 2 2 297.402 2.073 50 0 CEAALP Cc1cccc(N2CC[N@@H+](Cc3ccccc3)C[C@@H](O)C2)[nH+]1 ZINC000108267991 186209904 /nfs/dbraw/zinc/20/99/04/186209904.db2.gz UBXZQKNMBJYKNP-QGZVFWFLSA-N 2 2 297.402 2.073 50 0 CEAALP Cc1[nH+]cn(CC[NH2+][C@@H](C)CN2CCCCCC2)c1C ZINC000670437453 540409324 /nfs/dbraw/zinc/40/93/24/540409324.db2.gz LXMKGASWYSVXFH-AWEZNQCLSA-N 2 2 278.444 2.354 50 0 CEAALP Cc1[nH+]cn(CCN[C@@H](C)C[NH+]2CCCCCC2)c1C ZINC000670437453 540409325 /nfs/dbraw/zinc/40/93/25/540409325.db2.gz LXMKGASWYSVXFH-AWEZNQCLSA-N 2 2 278.444 2.354 50 0 CEAALP CSc1ccc(C[NH2+]CCC[NH+]2CCOCC2)cc1 ZINC000002181912 361230460 /nfs/dbraw/zinc/23/04/60/361230460.db2.gz LCWAYLXLLPLSCR-UHFFFAOYSA-N 2 2 280.437 2.220 50 0 CEAALP C[C@H](c1ccccc1)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000013694372 361436614 /nfs/dbraw/zinc/43/66/14/361436614.db2.gz CFSPXVXGKDEQLJ-CQSZACIVSA-N 2 2 270.380 2.303 50 0 CEAALP CC[NH+](CC)CCC[NH2+]CC(=O)Nc1cccc(F)c1 ZINC000020052183 361575648 /nfs/dbraw/zinc/57/56/48/361575648.db2.gz RHPPEFSNYKEYKN-UHFFFAOYSA-N 2 2 281.375 2.086 50 0 CEAALP CCO[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H](C)[N@H+](C)C2)C12CCC2 ZINC000089985983 364028569 /nfs/dbraw/zinc/02/85/69/364028569.db2.gz JYWJGLUQEJHBSO-RFQIPJPRSA-N 2 2 252.402 2.016 50 0 CEAALP CCO[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H](C)[N@@H+](C)C2)C12CCC2 ZINC000089985983 364028573 /nfs/dbraw/zinc/02/85/73/364028573.db2.gz JYWJGLUQEJHBSO-RFQIPJPRSA-N 2 2 252.402 2.016 50 0 CEAALP Cn1c2ccc(NC(=O)[C@H]3CCC[NH2+]3)cc2[nH+]c1C1CC1 ZINC000195554895 370141033 /nfs/dbraw/zinc/14/10/33/370141033.db2.gz UTKVXYFNSYYTDL-GFCCVEGCSA-N 2 2 284.363 2.141 50 0 CEAALP C[C@H]([NH2+]C[C@H](O)C(F)(F)F)c1cccc(-n2cc[nH+]c2)c1 ZINC000195577353 370143835 /nfs/dbraw/zinc/14/38/35/370143835.db2.gz KWTKFWNYZRWMIX-GWCFXTLKSA-N 2 2 299.296 2.446 50 0 CEAALP Cc1cc(C)cc(CNc2cc(C3CC([NH3+])C3)[nH+]c(N)n2)c1 ZINC000223441069 370265685 /nfs/dbraw/zinc/26/56/85/370265685.db2.gz LAAKZIRSIRTZDJ-UHFFFAOYSA-N 2 2 297.406 2.492 50 0 CEAALP Cc1[nH]c(CN2CCC([NH+]3CCCC3)CC2)[nH+]c1C ZINC000299803023 379144552 /nfs/dbraw/zinc/14/45/52/379144552.db2.gz UNMPEFJNQNODHU-UHFFFAOYSA-N 2 2 262.401 2.087 50 0 CEAALP Cc1cc(N2CCC(Cc3[nH]cc[nH+]3)CC2)nc(C)[nH+]1 ZINC000368719373 156394378 /nfs/dbraw/zinc/39/43/78/156394378.db2.gz OPPURTCZOSRISH-UHFFFAOYSA-N 2 2 271.368 2.276 50 0 CEAALP Cc1ccc(C[N@@H+]2CCC[C@@](O)(C[NH+]3CCCC3)C2)o1 ZINC000077388491 177262171 /nfs/dbraw/zinc/26/21/71/177262171.db2.gz VPFPZHKRRQNLRS-MRXNPFEDSA-N 2 2 278.396 2.011 50 0 CEAALP Cc1ccc(C[N@H+]2CCC[C@@](O)(C[NH+]3CCCC3)C2)o1 ZINC000077388491 177262172 /nfs/dbraw/zinc/26/21/72/177262172.db2.gz VPFPZHKRRQNLRS-MRXNPFEDSA-N 2 2 278.396 2.011 50 0 CEAALP C[N@@H+]1CCC[C@@H]2CN(c3[nH]c4ccccc4[nH+]3)CC[C@H]21 ZINC000270536810 277070371 /nfs/dbraw/zinc/07/03/71/277070371.db2.gz ANGUQGCDOIZSSZ-IUODEOHRSA-N 2 2 270.380 2.483 50 0 CEAALP C[N@H+]1CCC[C@@H]2CN(c3[nH]c4ccccc4[nH+]3)CC[C@H]21 ZINC000270536810 277070372 /nfs/dbraw/zinc/07/03/72/277070372.db2.gz ANGUQGCDOIZSSZ-IUODEOHRSA-N 2 2 270.380 2.483 50 0 CEAALP c1nc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)cs1 ZINC000040504236 361995346 /nfs/dbraw/zinc/99/53/46/361995346.db2.gz OZXQOHYYKLIKJL-UHFFFAOYSA-N 2 2 274.393 2.297 50 0 CEAALP Cc1cc[nH+]c(N2CC[NH+](C[C@H]3CCC=CO3)CC2)c1 ZINC000225579497 344546611 /nfs/dbraw/zinc/54/66/11/344546611.db2.gz GPQWXWZFWXDJLF-OAHLLOKOSA-N 2 2 273.380 2.205 50 0 CEAALP COc1cc(C[NH2+]CCc2cc[nH+]cc2C)sn1 ZINC000399134307 344857034 /nfs/dbraw/zinc/85/70/34/344857034.db2.gz VPOQIHIVYXKPSO-UHFFFAOYSA-N 2 2 263.366 2.187 50 0 CEAALP c1cn(C[C@@H]([NH2+]C2CCOCC2)c2ccccc2)c[nH+]1 ZINC000584889503 344999115 /nfs/dbraw/zinc/99/91/15/344999115.db2.gz FKZAGQHOAVIKFQ-MRXNPFEDSA-N 2 2 271.364 2.393 50 0 CEAALP Cc1cc[nH+]c(C[C@H](C)N(C)c2cc(C[NH3+])nc(C)n2)c1 ZINC000067804745 362925544 /nfs/dbraw/zinc/92/55/44/362925544.db2.gz GOFOSXWCCTZJCD-LBPRGKRZSA-N 2 2 285.395 2.015 50 0 CEAALP CCOc1ccccc1C[NH+]1CC(n2cc[nH+]c2)C1 ZINC000575550524 366294653 /nfs/dbraw/zinc/29/46/53/366294653.db2.gz SSJZIMYCYNYQNX-UHFFFAOYSA-N 2 2 257.337 2.339 50 0 CEAALP C[N@H+](CCn1cc[nH+]c1)Cc1cccc(Cn2cccn2)c1 ZINC000216406856 538882942 /nfs/dbraw/zinc/88/29/42/538882942.db2.gz KEGWLOXQHCYTQZ-UHFFFAOYSA-N 2 2 295.390 2.260 50 0 CEAALP C[N@@H+](CCn1cc[nH+]c1)Cc1cccc(Cn2cccn2)c1 ZINC000216406856 538882943 /nfs/dbraw/zinc/88/29/43/538882943.db2.gz KEGWLOXQHCYTQZ-UHFFFAOYSA-N 2 2 295.390 2.260 50 0 CEAALP OC[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](Cc3ccco3)CC2)C1 ZINC000670436345 540408644 /nfs/dbraw/zinc/40/86/44/540408644.db2.gz JSPMKTDKQPOLNP-ZBFHGGJFSA-N 2 2 292.423 2.385 50 0 CEAALP Cc1ncc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCC3)C2)cn1 ZINC000670452948 540416548 /nfs/dbraw/zinc/41/65/48/540416548.db2.gz HBMSUGXFWWBCCB-INIZCTEOSA-N 2 2 288.439 2.483 50 0 CEAALP Cc1ncc(C[N@H+]2CCC[C@@H](C[NH+]3CCCCC3)C2)cn1 ZINC000670452948 540416550 /nfs/dbraw/zinc/41/65/50/540416550.db2.gz HBMSUGXFWWBCCB-INIZCTEOSA-N 2 2 288.439 2.483 50 0 CEAALP CCc1noc(C[N@@H+]2CCC[C@H](Cn3cc[nH+]c3C)C2)n1 ZINC000670467549 540425376 /nfs/dbraw/zinc/42/53/76/540425376.db2.gz VFAXQVIFOROYBL-ZDUSSCGKSA-N 2 2 289.383 2.049 50 0 CEAALP CCc1noc(C[N@H+]2CCC[C@H](Cn3cc[nH+]c3C)C2)n1 ZINC000670467549 540425379 /nfs/dbraw/zinc/42/53/79/540425379.db2.gz VFAXQVIFOROYBL-ZDUSSCGKSA-N 2 2 289.383 2.049 50 0 CEAALP C[C@@H]1C[N@H+](Cc2cc(Cl)c3c(c2)OCCO3)CC[C@@H]1[NH3+] ZINC000094341950 364269106 /nfs/dbraw/zinc/26/91/06/364269106.db2.gz FSBFZSQNIYJGFS-MFKMUULPSA-N 2 2 296.798 2.280 50 0 CEAALP C[C@@H]1C[N@@H+](Cc2cc(Cl)c3c(c2)OCCO3)CC[C@@H]1[NH3+] ZINC000094341950 364269109 /nfs/dbraw/zinc/26/91/09/364269109.db2.gz FSBFZSQNIYJGFS-MFKMUULPSA-N 2 2 296.798 2.280 50 0 CEAALP Cc1ccc(NC[C@H]2CC[N@H+](Cc3cnc(C)cn3)C2)[nH+]c1 ZINC000097200534 364475989 /nfs/dbraw/zinc/47/59/89/364475989.db2.gz SGAGYZRMAODJCG-OAHLLOKOSA-N 2 2 297.406 2.422 50 0 CEAALP Cc1ccc(NC[C@H]2CC[N@@H+](Cc3cnc(C)cn3)C2)[nH+]c1 ZINC000097200534 364475994 /nfs/dbraw/zinc/47/59/94/364475994.db2.gz SGAGYZRMAODJCG-OAHLLOKOSA-N 2 2 297.406 2.422 50 0 CEAALP Cc1cc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)no1 ZINC000104320835 364692173 /nfs/dbraw/zinc/69/21/73/364692173.db2.gz VIOFQGOWEVGFHJ-ZDUSSCGKSA-N 2 2 274.368 2.171 50 0 CEAALP Cc1cc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)no1 ZINC000104320835 364692174 /nfs/dbraw/zinc/69/21/74/364692174.db2.gz VIOFQGOWEVGFHJ-ZDUSSCGKSA-N 2 2 274.368 2.171 50 0 CEAALP c1cn(C[C@H]2CCC[N@@H+]2Cc2ccc3c(c2)CCO3)c[nH+]1 ZINC000195573479 370143808 /nfs/dbraw/zinc/14/38/08/370143808.db2.gz UCSJELSWDBTVMO-MRXNPFEDSA-N 2 2 283.375 2.483 50 0 CEAALP c1cn(C[C@H]2CCC[N@H+]2Cc2ccc3c(c2)CCO3)c[nH+]1 ZINC000195573479 370143811 /nfs/dbraw/zinc/14/38/11/370143811.db2.gz UCSJELSWDBTVMO-MRXNPFEDSA-N 2 2 283.375 2.483 50 0 CEAALP Nc1nc(NCCC2CCCC2)cc(C2CC([NH3+])C2)[nH+]1 ZINC000220331209 370232467 /nfs/dbraw/zinc/23/24/67/370232467.db2.gz PTDZBOWUIIQMBW-UHFFFAOYSA-N 2 2 275.400 2.256 50 0 CEAALP CCC1(CNc2cc(C3CC([NH3+])C3)[nH+]c(N)n2)CCC1 ZINC000223510944 370266992 /nfs/dbraw/zinc/26/69/92/370266992.db2.gz SVFWPBOVLDGHDB-UHFFFAOYSA-N 2 2 275.400 2.256 50 0 CEAALP C[NH+](C)[C@H]1CCCN(Cc2c[nH+]cn2Cc2ccccc2)C1 ZINC000252481388 371443348 /nfs/dbraw/zinc/44/33/48/371443348.db2.gz CKIVFSLWMKVFPM-KRWDZBQOSA-N 2 2 298.434 2.457 50 0 CEAALP c1cn(C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c[nH+]1 ZINC000370276200 373621744 /nfs/dbraw/zinc/62/17/44/373621744.db2.gz MSVCIFRSFSNPEJ-MRXNPFEDSA-N 2 2 271.364 2.174 50 0 CEAALP c1cn(C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c[nH+]1 ZINC000370276200 373621749 /nfs/dbraw/zinc/62/17/49/373621749.db2.gz MSVCIFRSFSNPEJ-MRXNPFEDSA-N 2 2 271.364 2.174 50 0 CEAALP CCC[C@H](C)[NH2+]C1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000095967553 394674635 /nfs/dbraw/zinc/67/46/35/394674635.db2.gz UIAGXYRDJGCPAX-AWEZNQCLSA-N 3 2 267.461 2.323 50 0 CEAALP [NH3+]CCNc1[nH+]c2ccccc2n1Cc1ccccc1 ZINC000035311391 172122148 /nfs/dbraw/zinc/12/21/48/172122148.db2.gz NMAOBRARSJDMFK-UHFFFAOYSA-N 2 2 266.348 2.455 50 0 CEAALP COc1cccc(C[N@H+](C)C2CC[NH+](C)CC2)c1OC ZINC000035334629 172131831 /nfs/dbraw/zinc/13/18/31/172131831.db2.gz IPHHAQFOIKFPOE-UHFFFAOYSA-N 2 2 278.396 2.230 50 0 CEAALP COc1cccc(C[N@@H+](C)C2CC[NH+](C)CC2)c1OC ZINC000035334629 172131833 /nfs/dbraw/zinc/13/18/33/172131833.db2.gz IPHHAQFOIKFPOE-UHFFFAOYSA-N 2 2 278.396 2.230 50 0 CEAALP CCOc1ccc(-c2[nH+]ccn2CC[NH+](C)C)cc1CO ZINC000067712936 175786212 /nfs/dbraw/zinc/78/62/12/175786212.db2.gz BMOOOEBJGNCCLJ-UHFFFAOYSA-N 2 2 289.379 2.003 50 0 CEAALP [NH3+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000072267117 176352610 /nfs/dbraw/zinc/35/26/10/176352610.db2.gz LVXYOAXXSAFLMT-VXGBXAGGSA-N 2 2 258.287 2.398 50 0 CEAALP [NH3+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000072267117 176352611 /nfs/dbraw/zinc/35/26/11/176352611.db2.gz LVXYOAXXSAFLMT-VXGBXAGGSA-N 2 2 258.287 2.398 50 0 CEAALP Cn1ccnc1C[N@@H+]1CCCC[C@H]1CCc1[nH+]ccn1C ZINC000077300964 177250536 /nfs/dbraw/zinc/25/05/36/177250536.db2.gz FBPHBVLXTYYQKI-AWEZNQCLSA-N 2 2 287.411 2.141 50 0 CEAALP Cn1ccnc1C[N@H+]1CCCC[C@H]1CCc1[nH+]ccn1C ZINC000077300964 177250537 /nfs/dbraw/zinc/25/05/37/177250537.db2.gz FBPHBVLXTYYQKI-AWEZNQCLSA-N 2 2 287.411 2.141 50 0 CEAALP Cn1ccnc1C[N@@H+]1CCCC[C@@H]1CCn1cc[nH+]c1 ZINC000077342574 177254860 /nfs/dbraw/zinc/25/48/60/177254860.db2.gz SETUWNPYIMWWNT-CQSZACIVSA-N 2 2 273.384 2.061 50 0 CEAALP Cn1ccnc1C[N@H+]1CCCC[C@@H]1CCn1cc[nH+]c1 ZINC000077342574 177254861 /nfs/dbraw/zinc/25/48/61/177254861.db2.gz SETUWNPYIMWWNT-CQSZACIVSA-N 2 2 273.384 2.061 50 0 CEAALP COc1cccc2c1OCCC[N@H+](Cc1c[nH+]cn1C)C2 ZINC000215795475 278039077 /nfs/dbraw/zinc/03/90/77/278039077.db2.gz AIWULWMFYXMJQK-UHFFFAOYSA-N 2 2 287.363 2.213 50 0 CEAALP COc1cccc2c1OCCC[N@@H+](Cc1c[nH+]cn1C)C2 ZINC000215795475 278039079 /nfs/dbraw/zinc/03/90/79/278039079.db2.gz AIWULWMFYXMJQK-UHFFFAOYSA-N 2 2 287.363 2.213 50 0 CEAALP C[NH+]1CCC(Nc2nc(C3CC3)[nH+]c3c2CCC3)CC1 ZINC000065288130 538837495 /nfs/dbraw/zinc/83/74/95/538837495.db2.gz SANSSQSSYVPAGZ-UHFFFAOYSA-N 2 2 272.396 2.349 50 0 CEAALP Cc1cc(C[NH2+]CCC[N@@H+]2CCCC[C@H]2CO)oc1C ZINC000952962802 815080755 /nfs/dbraw/zinc/08/07/55/815080755.db2.gz ILSPBZBBOFQXHX-HNNXBMFYSA-N 2 2 280.412 2.223 50 0 CEAALP Cc1cc(C[NH2+]CCC[N@H+]2CCCC[C@H]2CO)oc1C ZINC000952962802 815080759 /nfs/dbraw/zinc/08/07/59/815080759.db2.gz ILSPBZBBOFQXHX-HNNXBMFYSA-N 2 2 280.412 2.223 50 0 CEAALP CC(C)Oc1cccc(C[NH2+]CCn2cc[nH+]c2)c1 ZINC000041119795 811291319 /nfs/dbraw/zinc/29/13/19/811291319.db2.gz RIBLXXODOXRITJ-UHFFFAOYSA-N 2 2 259.353 2.460 50 0 CEAALP CC[NH+]1CCC(CC(=O)NCc2c[nH+]c(C)cc2C)CC1 ZINC000095512560 185001925 /nfs/dbraw/zinc/00/19/25/185001925.db2.gz PAOJTSBIRSTWNP-UHFFFAOYSA-N 2 2 289.423 2.437 50 0 CEAALP Cc1c[nH+]ccc1CC[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000097238382 344244554 /nfs/dbraw/zinc/24/45/54/344244554.db2.gz YZVFZROGYVGNJL-UHFFFAOYSA-N 3 2 261.413 2.395 50 0 CEAALP c1cn(-c2ccccc2C[NH2+][C@H]2CCCOC2)c[nH+]1 ZINC000152255156 344424628 /nfs/dbraw/zinc/42/46/28/344424628.db2.gz GWHWQCJBWKVSEA-AWEZNQCLSA-N 2 2 257.337 2.141 50 0 CEAALP O[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000051999441 362458818 /nfs/dbraw/zinc/45/88/18/362458818.db2.gz CVXNZYQULAWDKO-HOTGVXAUSA-N 2 2 271.364 2.265 50 0 CEAALP O[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000051999438 362458957 /nfs/dbraw/zinc/45/89/57/362458957.db2.gz CVXNZYQULAWDKO-CVEARBPZSA-N 2 2 271.364 2.265 50 0 CEAALP Cc1nc(N(C)C[C@@H](C)[NH+]2CCOCC2)cc(C(C)C)[nH+]1 ZINC000065394211 362815212 /nfs/dbraw/zinc/81/52/12/362815212.db2.gz ZAOVYRDEMHLXPC-CYBMUJFWSA-N 2 2 292.427 2.065 50 0 CEAALP O[C@@H](C[NH+]1CCC([NH+]2CCCC2)CC1)c1ccccc1F ZINC000065515856 362830086 /nfs/dbraw/zinc/83/00/86/362830086.db2.gz KQWUNKOBGXVSQM-KRWDZBQOSA-N 2 2 292.398 2.419 50 0 CEAALP CCn1cc[nH+]c1CN1CC[NH+](CC2CCCC2)CC1 ZINC000069511079 362974408 /nfs/dbraw/zinc/97/44/08/362974408.db2.gz LIAKEBIFJMLHMK-UHFFFAOYSA-N 2 2 276.428 2.211 50 0 CEAALP CCCc1ccc(C[N@@H+]2CCC[C@](O)(C[NH+](C)C)C2)o1 ZINC000072479003 363139480 /nfs/dbraw/zinc/13/94/80/363139480.db2.gz QOQGTRFZNWIHFJ-INIZCTEOSA-N 2 2 280.412 2.121 50 0 CEAALP CCCc1ccc(C[N@H+]2CCC[C@](O)(C[NH+](C)C)C2)o1 ZINC000072479003 363139486 /nfs/dbraw/zinc/13/94/86/363139486.db2.gz QOQGTRFZNWIHFJ-INIZCTEOSA-N 2 2 280.412 2.121 50 0 CEAALP COc1cc(C[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)cc(OC)c1OC ZINC000156065093 188241407 /nfs/dbraw/zinc/24/14/07/188241407.db2.gz MIYPUHVROKUPKC-DGCLKSJQSA-N 2 2 294.395 2.024 50 0 CEAALP COc1cc(C[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)cc(OC)c1OC ZINC000156065093 188241409 /nfs/dbraw/zinc/24/14/09/188241409.db2.gz MIYPUHVROKUPKC-DGCLKSJQSA-N 2 2 294.395 2.024 50 0 CEAALP Cc1ccc[nH+]c1N1CCN(c2[nH+]cccc2C)CC1 ZINC000004625264 361324259 /nfs/dbraw/zinc/32/42/59/361324259.db2.gz IVQBZOVKUIUXEK-UHFFFAOYSA-N 2 2 268.364 2.420 50 0 CEAALP C[C@H]1C[NH+](C2CC[NH+](Cc3ccccn3)CC2)C[C@H](C)O1 ZINC000019889059 361564700 /nfs/dbraw/zinc/56/47/00/361564700.db2.gz RFBDWXWUTHLRTG-GJZGRUSLSA-N 2 2 289.423 2.155 50 0 CEAALP COCC[C@H](C)[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000095420793 364368046 /nfs/dbraw/zinc/36/80/46/364368046.db2.gz YRHMMUYUGQSCPN-ZDUSSCGKSA-N 2 2 259.353 2.387 50 0 CEAALP CCC[NH+]1CCC([N@H+](C)C[C@H]2CCC[NH+](C)C2)CC1 ZINC000097022016 364427521 /nfs/dbraw/zinc/42/75/21/364427521.db2.gz XHBQZJOFZMPXST-HNNXBMFYSA-N 3 2 267.461 2.134 50 0 CEAALP CCC[NH+]1CCC([N@@H+](C)C[C@H]2CCC[NH+](C)C2)CC1 ZINC000097022016 364427525 /nfs/dbraw/zinc/42/75/25/364427525.db2.gz XHBQZJOFZMPXST-HNNXBMFYSA-N 3 2 267.461 2.134 50 0 CEAALP CCC[NH+]1CCC([NH+](C)C[C@H]2CCC[N@H+](C)C2)CC1 ZINC000097022016 364427529 /nfs/dbraw/zinc/42/75/29/364427529.db2.gz XHBQZJOFZMPXST-HNNXBMFYSA-N 3 2 267.461 2.134 50 0 CEAALP CCC[NH+]1CCC([NH+](C)C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000097022016 364427533 /nfs/dbraw/zinc/42/75/33/364427533.db2.gz XHBQZJOFZMPXST-HNNXBMFYSA-N 3 2 267.461 2.134 50 0 CEAALP Cc1c[nH+]c(-c2ccncc2)n1C[C@@H]1CCC[NH2+]C1 ZINC000169676698 367370074 /nfs/dbraw/zinc/37/00/74/367370074.db2.gz ZVVXXPPOEIVBQL-CYBMUJFWSA-N 2 2 256.353 2.253 50 0 CEAALP CC(C)n1cc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2)cn1 ZINC000188413739 369351618 /nfs/dbraw/zinc/35/16/18/369351618.db2.gz OXFRDZUUTZPGPA-OAHLLOKOSA-N 2 2 273.384 2.325 50 0 CEAALP CC(C)n1cc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2)cn1 ZINC000188413739 369351626 /nfs/dbraw/zinc/35/16/26/369351626.db2.gz OXFRDZUUTZPGPA-OAHLLOKOSA-N 2 2 273.384 2.325 50 0 CEAALP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCO[C@H](C)C1 ZINC000191862015 369747608 /nfs/dbraw/zinc/74/76/08/369747608.db2.gz QWGQBRRLPVZLLR-CQSZACIVSA-N 2 2 271.364 2.401 50 0 CEAALP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCO[C@H](C)C1 ZINC000191862015 369747611 /nfs/dbraw/zinc/74/76/11/369747611.db2.gz QWGQBRRLPVZLLR-CQSZACIVSA-N 2 2 271.364 2.401 50 0 CEAALP Cc1cc(C[N@@H+]2CCC[C@@H](Cn3cc[nH+]c3)C2)on1 ZINC000216353474 370187489 /nfs/dbraw/zinc/18/74/89/370187489.db2.gz JVOCPPYVNFZKRZ-CYBMUJFWSA-N 2 2 260.341 2.092 50 0 CEAALP Cc1cc(C[N@H+]2CCC[C@@H](Cn3cc[nH+]c3)C2)on1 ZINC000216353474 370187492 /nfs/dbraw/zinc/18/74/92/370187492.db2.gz JVOCPPYVNFZKRZ-CYBMUJFWSA-N 2 2 260.341 2.092 50 0 CEAALP Cc1cccc(N2CC[N@H+](Cc3cccnc3)[C@@H](C)C2)[nH+]1 ZINC000229691839 370430468 /nfs/dbraw/zinc/43/04/68/370430468.db2.gz XEDBXMOOPFELJV-HNNXBMFYSA-N 2 2 282.391 2.496 50 0 CEAALP Cc1cccc(N2CC[N@@H+](Cc3cccnc3)[C@@H](C)C2)[nH+]1 ZINC000229691839 370430471 /nfs/dbraw/zinc/43/04/71/370430471.db2.gz XEDBXMOOPFELJV-HNNXBMFYSA-N 2 2 282.391 2.496 50 0 CEAALP CCOc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+]2C)cc1OC ZINC000221161064 153307137 /nfs/dbraw/zinc/30/71/37/153307137.db2.gz VXTTVBZJKIKGTL-AWEZNQCLSA-N 2 2 278.396 2.278 50 0 CEAALP CCOc1ccc(C[NH2+]C[C@@H]2CCC[N@H+]2C)cc1OC ZINC000221161064 153307141 /nfs/dbraw/zinc/30/71/41/153307141.db2.gz VXTTVBZJKIKGTL-AWEZNQCLSA-N 2 2 278.396 2.278 50 0 CEAALP CC[C@@H](C)[NH+]1CCC([N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000004744527 170010686 /nfs/dbraw/zinc/01/06/86/170010686.db2.gz ZIGZSNQDEOYGCI-MCIONIFRSA-N 2 2 254.418 2.359 50 0 CEAALP CC[C@@H](C)[NH+]1CCC([N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000004744527 170010688 /nfs/dbraw/zinc/01/06/88/170010688.db2.gz ZIGZSNQDEOYGCI-MCIONIFRSA-N 2 2 254.418 2.359 50 0 CEAALP CCC(=O)c1ccc(OCCC[NH2+]CC[NH+](C)C)cc1 ZINC000020418757 171184063 /nfs/dbraw/zinc/18/40/63/171184063.db2.gz NRXRNBHXGVKQCF-UHFFFAOYSA-N 2 2 278.396 2.199 50 0 CEAALP CC(C)[C@H]1CN(c2cc(N)[nH+]cn2)CCC[N@@H+]1CC1CC1 ZINC000071422157 176160763 /nfs/dbraw/zinc/16/07/63/176160763.db2.gz CSWPOLUNAIMNTM-CQSZACIVSA-N 2 2 289.427 2.006 50 0 CEAALP CC(C)[C@H]1CN(c2cc(N)[nH+]cn2)CCC[N@H+]1CC1CC1 ZINC000071422157 176160765 /nfs/dbraw/zinc/16/07/65/176160765.db2.gz CSWPOLUNAIMNTM-CQSZACIVSA-N 2 2 289.427 2.006 50 0 CEAALP C[N@@H+]1CCC[C@@H]2CN(c3[nH]c4ccccc4[nH+]3)CC[C@@H]21 ZINC000270536806 277070388 /nfs/dbraw/zinc/07/03/88/277070388.db2.gz ANGUQGCDOIZSSZ-DOMZBBRYSA-N 2 2 270.380 2.483 50 0 CEAALP C[N@H+]1CCC[C@@H]2CN(c3[nH]c4ccccc4[nH+]3)CC[C@@H]21 ZINC000270536806 277070389 /nfs/dbraw/zinc/07/03/89/277070389.db2.gz ANGUQGCDOIZSSZ-DOMZBBRYSA-N 2 2 270.380 2.483 50 0 CEAALP Cc1ccc2cc(C[N@@H+]3CC[NH+]4CCC3CC4)c(=O)[nH]c2c1 ZINC000067821223 281142178 /nfs/dbraw/zinc/14/21/78/281142178.db2.gz PCWIWLVQURWLCC-UHFFFAOYSA-N 2 2 297.402 2.117 50 0 CEAALP Cc1ccc2cc(C[N@H+]3CC[NH+]4CCC3CC4)c(=O)[nH]c2c1 ZINC000067821223 281142182 /nfs/dbraw/zinc/14/21/82/281142182.db2.gz PCWIWLVQURWLCC-UHFFFAOYSA-N 2 2 297.402 2.117 50 0 CEAALP C[C@]1([NH2+]CC2(C[NH+]3CCOCC3)CCCCC2)CCOC1 ZINC000096493815 534180637 /nfs/dbraw/zinc/18/06/37/534180637.db2.gz DUVQSIMWKJLDKE-INIZCTEOSA-N 2 2 296.455 2.038 50 0 CEAALP CC[C@H](Cn1cc[nH+]c1)[NH2+]C1CSCCSC1 ZINC000822619974 810592251 /nfs/dbraw/zinc/59/22/51/810592251.db2.gz VMTAKOXGNUPCBI-LLVKDONJSA-N 2 2 271.455 2.100 50 0 CEAALP CC[N@H+](C)C[C@@H](C)[NH2+]CCCn1nc(C)c(C)c1C ZINC000823074738 810604402 /nfs/dbraw/zinc/60/44/02/810604402.db2.gz XZXVXXRWSLZTRE-GFCCVEGCSA-N 2 2 266.433 2.128 50 0 CEAALP CC[N@@H+](C)C[C@@H](C)[NH2+]CCCn1nc(C)c(C)c1C ZINC000823074738 810604409 /nfs/dbraw/zinc/60/44/09/810604409.db2.gz XZXVXXRWSLZTRE-GFCCVEGCSA-N 2 2 266.433 2.128 50 0 CEAALP C[C@@H](c1ccccn1)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000096490454 230382206 /nfs/dbraw/zinc/38/22/06/230382206.db2.gz VVEGCNCOCXAJAU-HNNXBMFYSA-N 2 2 290.455 2.100 50 0 CEAALP C[C@@H](c1ccccn1)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000096490454 230382207 /nfs/dbraw/zinc/38/22/07/230382207.db2.gz VVEGCNCOCXAJAU-HNNXBMFYSA-N 2 2 290.455 2.100 50 0 CEAALP C[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccccc1C(F)(F)F ZINC000095967771 185046203 /nfs/dbraw/zinc/04/62/03/185046203.db2.gz XIORFEPXSVQUNB-MNOVXSKESA-N 2 2 290.329 2.279 50 0 CEAALP C[C@@H]1CC[N@H+](Cc2cscn2)C[C@@H]1n1cc[nH+]c1 ZINC000095981724 185054404 /nfs/dbraw/zinc/05/44/04/185054404.db2.gz DNZNJMSBHSWFGH-YPMHNXCESA-N 2 2 262.382 2.423 50 0 CEAALP C[C@@H]1CC[N@@H+](Cc2cscn2)C[C@@H]1n1cc[nH+]c1 ZINC000095981724 185054405 /nfs/dbraw/zinc/05/44/05/185054405.db2.gz DNZNJMSBHSWFGH-YPMHNXCESA-N 2 2 262.382 2.423 50 0 CEAALP CC[N@@H+]1CCC[C@@H]1C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000037213763 361902390 /nfs/dbraw/zinc/90/23/90/361902390.db2.gz PSQBSXSTDFTLPV-MRXNPFEDSA-N 3 2 288.439 2.124 50 0 CEAALP CC[N@H+]1CCC[C@@H]1C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000037213763 361902394 /nfs/dbraw/zinc/90/23/94/361902394.db2.gz PSQBSXSTDFTLPV-MRXNPFEDSA-N 3 2 288.439 2.124 50 0 CEAALP Cc1n[nH]cc1C[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000038011300 361979418 /nfs/dbraw/zinc/97/94/18/361979418.db2.gz VWDPBNGXGOBOAZ-QGZVFWFLSA-N 2 2 284.407 2.472 50 0 CEAALP Cc1n[nH]cc1C[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000038011300 361979424 /nfs/dbraw/zinc/97/94/24/361979424.db2.gz VWDPBNGXGOBOAZ-QGZVFWFLSA-N 2 2 284.407 2.472 50 0 CEAALP OCCC1([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CCC1 ZINC000078996611 343969390 /nfs/dbraw/zinc/96/93/90/343969390.db2.gz ZXWZFQQVXRSXCV-UHFFFAOYSA-N 2 2 271.364 2.267 50 0 CEAALP Cc1[nH+]ccn1CC[NH2+]C1CC[NH+](Cc2ccco2)CC1 ZINC000584903298 345004900 /nfs/dbraw/zinc/00/49/00/345004900.db2.gz DLHGVVIGCRKKQO-UHFFFAOYSA-N 3 2 288.395 2.039 50 0 CEAALP CC(C)C[C@H](C[NH+](C)C)NC(=O)c1ccc2[nH+]ccn2c1 ZINC000068307647 362939108 /nfs/dbraw/zinc/93/91/08/362939108.db2.gz ITIHCHUZEFVTNU-CQSZACIVSA-N 2 2 288.395 2.040 50 0 CEAALP CCCc1cc(N2C[C@H]([NH3+])[C@@H](C(C)C)C2)nc(C)[nH+]1 ZINC000091452116 180158644 /nfs/dbraw/zinc/15/86/44/180158644.db2.gz AEAOPRLMRCFQEG-KGLIPLIRSA-N 2 2 262.401 2.157 50 0 CEAALP COCc1cc(C[N@@H+]2C[C@H]([NH3+])[C@@H](C3CC3)C2)ccc1OC ZINC000091562816 180192849 /nfs/dbraw/zinc/19/28/49/180192849.db2.gz HHVGPSBIYDDUHX-CVEARBPZSA-N 2 2 290.407 2.011 50 0 CEAALP COCc1cc(C[N@H+]2C[C@H]([NH3+])[C@@H](C3CC3)C2)ccc1OC ZINC000091562816 180192850 /nfs/dbraw/zinc/19/28/50/180192850.db2.gz HHVGPSBIYDDUHX-CVEARBPZSA-N 2 2 290.407 2.011 50 0 CEAALP Cc1ccc(C[NH+]2C[C@H]3CCC[C@@H](C2)[N@H+](C)C3)nc1 ZINC000670457469 540419956 /nfs/dbraw/zinc/41/99/56/540419956.db2.gz FCEROUCPETWTIJ-HOCLYGCPSA-N 2 2 259.397 2.306 50 0 CEAALP Cc1ccc(C[NH+]2C[C@H]3CCC[C@@H](C2)[N@@H+](C)C3)nc1 ZINC000670457469 540419958 /nfs/dbraw/zinc/41/99/58/540419958.db2.gz FCEROUCPETWTIJ-HOCLYGCPSA-N 2 2 259.397 2.306 50 0 CEAALP Cc1ccc(C[N@@H+]2C[C@H]3CCC[C@@H](C2)[NH+](C)C3)nc1 ZINC000670457469 540419961 /nfs/dbraw/zinc/41/99/61/540419961.db2.gz FCEROUCPETWTIJ-HOCLYGCPSA-N 2 2 259.397 2.306 50 0 CEAALP Cc1ccc(C[N@H+]2C[C@H]3CCC[C@@H](C2)[NH+](C)C3)nc1 ZINC000670457469 540419964 /nfs/dbraw/zinc/41/99/64/540419964.db2.gz FCEROUCPETWTIJ-HOCLYGCPSA-N 2 2 259.397 2.306 50 0 CEAALP C[C@H]1C[NH+](C2CC[NH+](Cc3ccncc3)CC2)C[C@H](C)O1 ZINC000019889913 361564117 /nfs/dbraw/zinc/56/41/17/361564117.db2.gz SSWACDZPHXMSIO-GJZGRUSLSA-N 2 2 289.423 2.155 50 0 CEAALP C[C@@H]1C[NH+](C2CC[NH+](Cc3cccnc3)CC2)C[C@@H](C)O1 ZINC000019939095 361569241 /nfs/dbraw/zinc/56/92/41/361569241.db2.gz AVZDUXAFQAAHDB-HUUCEWRRSA-N 2 2 289.423 2.155 50 0 CEAALP CCc1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)o1 ZINC000093017537 364130787 /nfs/dbraw/zinc/13/07/87/364130787.db2.gz CMEHQFFUAJBQNM-HNNXBMFYSA-N 2 2 292.423 2.386 50 0 CEAALP CCc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)o1 ZINC000093017537 364130791 /nfs/dbraw/zinc/13/07/91/364130791.db2.gz CMEHQFFUAJBQNM-HNNXBMFYSA-N 2 2 292.423 2.386 50 0 CEAALP CCC[NH+]1CCC([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000095420472 364368063 /nfs/dbraw/zinc/36/80/63/364368063.db2.gz QFFBGIKSYVYBRU-HZPDHXFCSA-N 3 2 265.445 2.077 50 0 CEAALP CCC[NH+]1CCC([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000095420472 364368068 /nfs/dbraw/zinc/36/80/68/364368068.db2.gz QFFBGIKSYVYBRU-HZPDHXFCSA-N 3 2 265.445 2.077 50 0 CEAALP Cc1c[nH]c(CN2CC[NH+](C3Cc4ccccc4C3)CC2)[nH+]1 ZINC000097637988 364514224 /nfs/dbraw/zinc/51/42/24/364514224.db2.gz USWWNINOJMGQIF-UHFFFAOYSA-N 2 2 296.418 2.003 50 0 CEAALP CCn1nc(C)c(C[N@H+]2C[C@H]3CC[C@@H](C2)[C@H]3[NH+](C)C)c1C ZINC000102634684 364602494 /nfs/dbraw/zinc/60/24/94/364602494.db2.gz PNENGOUIPCNBTO-QLPKVWCKSA-N 2 2 290.455 2.292 50 0 CEAALP CCn1nc(C)c(C[N@@H+]2C[C@H]3CC[C@@H](C2)[C@H]3[NH+](C)C)c1C ZINC000102634684 364602500 /nfs/dbraw/zinc/60/25/00/364602500.db2.gz PNENGOUIPCNBTO-QLPKVWCKSA-N 2 2 290.455 2.292 50 0 CEAALP C[C@@H]1CCC[C@@](CNCc2c[nH+]cn2C)([NH+](C)C)C1 ZINC000112342160 364793883 /nfs/dbraw/zinc/79/38/83/364793883.db2.gz DZOMWXXPSQZLQY-UKRRQHHQSA-N 2 2 264.417 2.020 50 0 CEAALP CCc1[nH+]ccn1CC[N@@H+]1CCCC2(CCOCC2)C1 ZINC000244866396 370800600 /nfs/dbraw/zinc/80/06/00/370800600.db2.gz VVLPZKIZAXDRKY-UHFFFAOYSA-N 2 2 277.412 2.338 50 0 CEAALP CCc1[nH+]ccn1CC[N@H+]1CCCC2(CCOCC2)C1 ZINC000244866396 370800604 /nfs/dbraw/zinc/80/06/04/370800604.db2.gz VVLPZKIZAXDRKY-UHFFFAOYSA-N 2 2 277.412 2.338 50 0 CEAALP c1[nH]c2c([nH+]1)CCN(C[C@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC000244718863 370796213 /nfs/dbraw/zinc/79/62/13/370796213.db2.gz LSKKYYLIDISWPD-INIZCTEOSA-N 2 2 296.418 2.290 50 0 CEAALP c1[nH]c2c([nH+]1)CCN(C[C@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC000244718863 370796215 /nfs/dbraw/zinc/79/62/15/370796215.db2.gz LSKKYYLIDISWPD-INIZCTEOSA-N 2 2 296.418 2.290 50 0 CEAALP CC(C)Cn1c[nH+]cc1CN1CCC[C@H]([NH+](C)C)CC1 ZINC000244715802 370796274 /nfs/dbraw/zinc/79/62/74/370796274.db2.gz LCPLJBKZLQWAJX-HNNXBMFYSA-N 2 2 278.444 2.455 50 0 CEAALP CCOC(=O)[C@H](C)[C@@H](C)[NH2+]Cc1c[nH+]c2c(C)cccn12 ZINC000170086042 367375703 /nfs/dbraw/zinc/37/57/03/367375703.db2.gz NEIQINCKEGHBNN-CHWSQXEVSA-N 2 2 289.379 2.320 50 0 CEAALP Cn1cc([C@@H]([NH2+]CCn2cc[nH+]c2)c2ccc(F)cc2)cn1 ZINC000185426457 368805927 /nfs/dbraw/zinc/80/59/27/368805927.db2.gz CYTSLLPFRYQONN-INIZCTEOSA-N 2 2 299.353 2.135 50 0 CEAALP CC(C)n1cc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2)cn1 ZINC000188413756 369351734 /nfs/dbraw/zinc/35/17/34/369351734.db2.gz OXFRDZUUTZPGPA-HNNXBMFYSA-N 2 2 273.384 2.325 50 0 CEAALP CC(C)n1cc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2)cn1 ZINC000188413756 369351740 /nfs/dbraw/zinc/35/17/40/369351740.db2.gz OXFRDZUUTZPGPA-HNNXBMFYSA-N 2 2 273.384 2.325 50 0 CEAALP Nc1cc(C[N@@H+]2CC[C@H](Oc3cccc(F)c3)C2)cc[nH+]1 ZINC000193546085 369953629 /nfs/dbraw/zinc/95/36/29/369953629.db2.gz CSRKZTGXZBECET-HNNXBMFYSA-N 2 2 287.338 2.456 50 0 CEAALP Nc1cc(C[N@H+]2CC[C@H](Oc3cccc(F)c3)C2)cc[nH+]1 ZINC000193546085 369953631 /nfs/dbraw/zinc/95/36/31/369953631.db2.gz CSRKZTGXZBECET-HNNXBMFYSA-N 2 2 287.338 2.456 50 0 CEAALP Cc1cc(C[N@@H+]2CCC[C@H](Cn3cc[nH+]c3)C2)on1 ZINC000216353436 370187545 /nfs/dbraw/zinc/18/75/45/370187545.db2.gz JVOCPPYVNFZKRZ-ZDUSSCGKSA-N 2 2 260.341 2.092 50 0 CEAALP Cc1cc(C[N@H+]2CCC[C@H](Cn3cc[nH+]c3)C2)on1 ZINC000216353436 370187549 /nfs/dbraw/zinc/18/75/49/370187549.db2.gz JVOCPPYVNFZKRZ-ZDUSSCGKSA-N 2 2 260.341 2.092 50 0 CEAALP CC(C)c1ncc(C[N@H+](C)C[C@@H]2CCC[NH2+]C2)cn1 ZINC000261640355 371688070 /nfs/dbraw/zinc/68/80/70/371688070.db2.gz AEJJCYACVRUARR-CYBMUJFWSA-N 2 2 262.401 2.031 50 0 CEAALP CC(C)c1ncc(C[N@@H+](C)C[C@@H]2CCC[NH2+]C2)cn1 ZINC000261640355 371688078 /nfs/dbraw/zinc/68/80/78/371688078.db2.gz AEJJCYACVRUARR-CYBMUJFWSA-N 2 2 262.401 2.031 50 0 CEAALP Cc1ccc(C[C@@H]2C[NH2+]CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000309949576 376609564 /nfs/dbraw/zinc/60/95/64/376609564.db2.gz MGRIWPLAWBZNPB-QGZVFWFLSA-N 2 2 296.418 2.049 50 0 CEAALP Cc1ccc(C[C@@H]2C[NH2+]CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000309949576 376609570 /nfs/dbraw/zinc/60/95/70/376609570.db2.gz MGRIWPLAWBZNPB-QGZVFWFLSA-N 2 2 296.418 2.049 50 0 CEAALP C[N@@H+]1CCCC[C@@H]1CC[NH+](CCO)Cc1ccccc1F ZINC000299766089 379132932 /nfs/dbraw/zinc/13/29/32/379132932.db2.gz CAWRFWKGPJUTDG-MRXNPFEDSA-N 2 2 294.414 2.494 50 0 CEAALP C[N@H+]1CCCC[C@@H]1CC[NH+](CCO)Cc1ccccc1F ZINC000299766089 379132940 /nfs/dbraw/zinc/13/29/40/379132940.db2.gz CAWRFWKGPJUTDG-MRXNPFEDSA-N 2 2 294.414 2.494 50 0 CEAALP C[NH+]1CCCC[C@@H]1CC[N@H+](CCO)Cc1ccccc1F ZINC000299766089 379132946 /nfs/dbraw/zinc/13/29/46/379132946.db2.gz CAWRFWKGPJUTDG-MRXNPFEDSA-N 2 2 294.414 2.494 50 0 CEAALP C[NH+]1CCCC[C@@H]1CC[N@@H+](CCO)Cc1ccccc1F ZINC000299766089 379132955 /nfs/dbraw/zinc/13/29/55/379132955.db2.gz CAWRFWKGPJUTDG-MRXNPFEDSA-N 2 2 294.414 2.494 50 0 CEAALP C[C@@H]1C[C@@H]([NH2+]C[C@@H](c2ccccc2)C(C)(C)CO)C[N@@H+]1C ZINC000090658138 394656215 /nfs/dbraw/zinc/65/62/15/394656215.db2.gz AKDBWVCJHLHGKH-OIISXLGYSA-N 2 2 290.451 2.471 50 0 CEAALP C[C@@H]1C[C@@H]([NH2+]C[C@@H](c2ccccc2)C(C)(C)CO)C[N@H+]1C ZINC000090658138 394656220 /nfs/dbraw/zinc/65/62/20/394656220.db2.gz AKDBWVCJHLHGKH-OIISXLGYSA-N 2 2 290.451 2.471 50 0 CEAALP CC(C)[C@@H]1CC([NH2+]CC[NH+](C)C)C[C@@H](C(C)C)O1 ZINC000524732375 395262218 /nfs/dbraw/zinc/26/22/18/395262218.db2.gz XEGBUCKUALIEBF-GJZGRUSLSA-N 2 2 256.434 2.366 50 0 CEAALP O[C@@H](C[NH2+]Cc1ccccc1Cl)C[NH+]1CCCCC1 ZINC000048314613 400193416 /nfs/dbraw/zinc/19/34/16/400193416.db2.gz OMMPEYFLWGIFOK-AWEZNQCLSA-N 2 2 282.815 2.276 50 0 CEAALP CC[N@@H+]1CCC[C@@](O)(C[NH+](C)Cc2ccccc2F)C1 ZINC000040714635 174382435 /nfs/dbraw/zinc/38/24/35/174382435.db2.gz MMXSUKSMKNUJAL-MRXNPFEDSA-N 2 2 280.387 2.104 50 0 CEAALP CC[N@H+]1CCC[C@@](O)(C[NH+](C)Cc2ccccc2F)C1 ZINC000040714635 174382436 /nfs/dbraw/zinc/38/24/36/174382436.db2.gz MMXSUKSMKNUJAL-MRXNPFEDSA-N 2 2 280.387 2.104 50 0 CEAALP CC[NH+]1CCC[C@@](O)(C[N@H+](C)Cc2ccccc2F)C1 ZINC000040714635 174382438 /nfs/dbraw/zinc/38/24/38/174382438.db2.gz MMXSUKSMKNUJAL-MRXNPFEDSA-N 2 2 280.387 2.104 50 0 CEAALP CC[NH+]1CCC[C@@](O)(C[N@@H+](C)Cc2ccccc2F)C1 ZINC000040714635 174382439 /nfs/dbraw/zinc/38/24/39/174382439.db2.gz MMXSUKSMKNUJAL-MRXNPFEDSA-N 2 2 280.387 2.104 50 0 CEAALP Cc1cc(N[C@H]2C[C@H]([NH+]3CCOCC3)C2(C)C)nc(C)[nH+]1 ZINC000657208768 414802819 /nfs/dbraw/zinc/80/28/19/414802819.db2.gz ZZVMBDZBERLQKQ-KBPBESRZSA-N 2 2 290.411 2.005 50 0 CEAALP [NH3+]CCc1cccc(C[N@@H+]2CCC[C@@H](Cn3cc[nH+]c3)C2)c1 ZINC000072163154 176330585 /nfs/dbraw/zinc/33/05/85/176330585.db2.gz QDJIQUNYQVEBLF-GOSISDBHSA-N 3 2 298.434 2.297 50 0 CEAALP [NH3+]CCc1cccc(C[N@H+]2CCC[C@@H](Cn3cc[nH+]c3)C2)c1 ZINC000072163154 176330586 /nfs/dbraw/zinc/33/05/86/176330586.db2.gz QDJIQUNYQVEBLF-GOSISDBHSA-N 3 2 298.434 2.297 50 0 CEAALP CC[N@@H+]1CCC[C@](O)(C[NH+]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000226109820 276187974 /nfs/dbraw/zinc/18/79/74/276187974.db2.gz TYWJQZWQSUJJSI-CHWSQXEVSA-N 2 2 294.361 2.108 50 0 CEAALP CC[N@H+]1CCC[C@](O)(C[NH+]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000226109820 276187976 /nfs/dbraw/zinc/18/79/76/276187976.db2.gz TYWJQZWQSUJJSI-CHWSQXEVSA-N 2 2 294.361 2.108 50 0 CEAALP CC[NH+]1CCC[C@](O)(C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000226109820 276187977 /nfs/dbraw/zinc/18/79/77/276187977.db2.gz TYWJQZWQSUJJSI-CHWSQXEVSA-N 2 2 294.361 2.108 50 0 CEAALP CC[NH+]1CCC[C@](O)(C[N@H+]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000226109820 276187979 /nfs/dbraw/zinc/18/79/79/276187979.db2.gz TYWJQZWQSUJJSI-CHWSQXEVSA-N 2 2 294.361 2.108 50 0 CEAALP