smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Oc1ccccc1[C@@H]1CN2CCSC2=[NH+]1 ZINC000238728122 259325563 /nfs/dbraw/zinc/32/55/63/259325563.db2.gz UWSRSQGOOOLTTI-VIFPVBQESA-N 1 1 220.297 1.852 10 10 BDCEMO CC[C@@H](O)CC[NH2+]Cc1cccc(F)c1O ZINC000163178993 346550563 /nfs/dbraw/zinc/55/05/63/346550563.db2.gz MDXUZQXWOHTCRO-SNVBAGLBSA-N 1 1 227.279 1.782 10 10 BDCEMO Cc1[nH+]ccn1CCN(C)c1ccc(N)cc1 ZINC000049330752 180252537 /nfs/dbraw/zinc/25/25/37/180252537.db2.gz GRJCVPSOZYSGFU-UHFFFAOYSA-N 1 1 230.315 1.910 10 10 BDCEMO [NH3+][C@H](CO)c1cccc(Br)c1O ZINC000072198718 181621071 /nfs/dbraw/zinc/62/10/71/181621071.db2.gz YQNUKWBOXOLUSU-SSDOTTSWSA-N 1 1 232.077 1.147 10 10 BDCEMO C[C@H](O)C(C)(C)[NH2+]Cc1cccc(F)c1O ZINC000163180261 384761667 /nfs/dbraw/zinc/76/16/67/384761667.db2.gz OWMKSPHLEUSODM-QMMMGPOBSA-N 1 1 227.279 1.780 10 10 BDCEMO Cc1ccc(O)c([C@@H](C)[NH+]2CCNCC2)c1 ZINC000038086759 386120738 /nfs/dbraw/zinc/12/07/38/386120738.db2.gz QSIUVHHZUKXBII-LLVKDONJSA-N 1 1 220.316 1.667 10 10 BDCEMO CC[C@@H]1C[N@@H+](CCc2ccc(N)cc2)CCO1 ZINC000036768902 171083076 /nfs/dbraw/zinc/08/30/76/171083076.db2.gz AGSGSBAASIFIIL-CQSZACIVSA-N 1 1 234.343 1.922 10 10 BDCEMO C[N@H+]1CCC[C@H](COc2ccc(N)cc2)C1 ZINC000015937403 173042983 /nfs/dbraw/zinc/04/29/83/173042983.db2.gz GHHQEFHFJVAIQD-NSHDSACASA-N 1 1 220.316 1.989 10 10 BDCEMO C[N@H+]1CCc2cc3c(c(O)c2C1)OCO3 ZINC000032204211 173171387 /nfs/dbraw/zinc/17/13/87/173171387.db2.gz FMOFBNZLIUAYPT-UHFFFAOYSA-N 1 1 207.229 1.109 10 10 BDCEMO C[C@@H]1CO[C@@H](C)C[N@H+]1Cc1cc(N)ccc1O ZINC000035782545 177261273 /nfs/dbraw/zinc/26/12/73/177261273.db2.gz NQKBMSMKAQIKNQ-ZJUUUORDSA-N 1 1 236.315 1.584 10 10 BDCEMO C[C@@H](O)CC[NH2+]Cc1cccc(F)c1O ZINC000165167508 640545219 /nfs/dbraw/zinc/54/52/19/640545219.db2.gz BFCYYNYIODUMKD-MRVPVSSYSA-N 1 1 213.252 1.392 10 10 BDCEMO Oc1c(F)cccc1C[NH2+]CC[C@@H](O)C(F)F ZINC000716731289 712571358 /nfs/dbraw/zinc/57/13/58/712571358.db2.gz JRDPZGWIACIIBO-SECBINFHSA-N 1 1 249.232 1.637 10 10 BDCEMO [NH3+][C@H](CO)c1c(O)cc(Cl)cc1Cl ZINC000072198427 384816702 /nfs/dbraw/zinc/81/67/02/384816702.db2.gz QANWTJXPFDEQHD-ZCFIWIBFSA-N 1 1 222.071 1.691 10 10 BDCEMO CNc1nc(Nc2ccc(N)cc2)cc(C)[nH+]1 ZINC000409430956 385328712 /nfs/dbraw/zinc/32/87/12/385328712.db2.gz XQBFDPURADQWRA-UHFFFAOYSA-N 1 1 229.287 1.574 10 10 BDCEMO C[NH+]1CCN(CCCNc2ccc(N)cc2)CC1 ZINC000090505097 173080242 /nfs/dbraw/zinc/08/02/42/173080242.db2.gz MEMCCQUMSXPDPE-UHFFFAOYSA-N 1 1 248.374 1.318 10 10 BDCEMO CNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(F)cc1O ZINC000062748175 173295738 /nfs/dbraw/zinc/29/57/38/173295738.db2.gz FKZFUTRGCJQRDI-HTQZYQBOSA-N 1 1 240.278 1.316 10 10 BDCEMO CC[C@H](CCO)[NH2+]Cc1cccc(F)c1O ZINC000163176398 636134138 /nfs/dbraw/zinc/13/41/38/636134138.db2.gz XQLMSSWCIGBTMP-SNVBAGLBSA-N 1 1 227.279 1.782 10 10 BDCEMO OCC1([NH2+]Cc2cccc(F)c2O)CC1 ZINC000163183991 636189116 /nfs/dbraw/zinc/18/91/16/636189116.db2.gz SFPJVAJDAFZTCN-UHFFFAOYSA-N 1 1 211.236 1.146 10 10 BDCEMO OC[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(F)c1O ZINC000226612828 640779830 /nfs/dbraw/zinc/77/98/30/640779830.db2.gz YJSMTHVHKBTZLW-JQWIXIFHSA-N 1 1 239.290 1.782 10 10 BDCEMO COC1CC([NH2+]Cc2cc(F)cc(F)c2O)C1 ZINC000708443658 712194950 /nfs/dbraw/zinc/19/49/50/712194950.db2.gz RJCGRQFZZWYNRE-UHFFFAOYSA-N 1 1 243.253 1.937 10 10 BDCEMO C[C@H]1[C@H]([NH2+]Cc2cccc(F)c2O)CCN1C ZINC000719617519 712816873 /nfs/dbraw/zinc/81/68/73/712816873.db2.gz ILTLCUYFICJXSX-JOYOIKCWSA-N 1 1 238.306 1.714 10 10 BDCEMO C[C@H](O)[C@@H]1CCC[N@H+]1Cc1ccc(N)cc1 ZINC000146681548 343305254 /nfs/dbraw/zinc/30/52/54/343305254.db2.gz IZPOHWUZLKPKQN-GWCFXTLKSA-N 1 1 220.316 1.614 10 10 BDCEMO Cc1[nH+]ccn1[C@H](C)C(=O)Nc1ccc(N)cc1 ZINC000022220335 180271404 /nfs/dbraw/zinc/27/14/04/180271404.db2.gz URUCIXLQKIUBHS-SECBINFHSA-N 1 1 244.298 1.973 10 10 BDCEMO NC(=O)[C@@H]1CCCC[N@H+]1CCc1ccc(N)cc1 ZINC000042403978 181268228 /nfs/dbraw/zinc/26/82/28/181268228.db2.gz QIFASYCZUXTBCX-ZDUSSCGKSA-N 1 1 247.342 1.151 10 10 BDCEMO C[C@@H]1OCC[C@@H]1[NH2+]Cc1cccc(F)c1O ZINC000165176054 385077440 /nfs/dbraw/zinc/07/74/40/385077440.db2.gz HYPGTOOBOHBXKF-KWQFWETISA-N 1 1 225.263 1.798 10 10 BDCEMO C[N@H+]1CCC[C@@H](c2ccc(O)c(O)c2)C1 ZINC000033829003 173023339 /nfs/dbraw/zinc/02/33/39/173023339.db2.gz UWXIEGJSOHTCPF-SNVBAGLBSA-N 1 1 207.273 1.907 10 10 BDCEMO CNC(=O)C[C@@H](C)[NH2+]Cc1cccc(F)c1O ZINC000322748246 636878540 /nfs/dbraw/zinc/87/85/40/636878540.db2.gz CXUYZYXJCYDGLG-MRVPVSSYSA-N 1 1 240.278 1.146 10 10 BDCEMO OCC1(C[NH2+]Cc2cccc(F)c2O)CC1 ZINC000165173700 640546732 /nfs/dbraw/zinc/54/67/32/640546732.db2.gz ZJMQLLBSJRKZET-UHFFFAOYSA-N 1 1 225.263 1.393 10 10 BDCEMO COC[C@@H](C)[NH2+]Cc1cccc(F)c1O ZINC000083347415 643532687 /nfs/dbraw/zinc/53/26/87/643532687.db2.gz MTOLJMCJFAPBFT-MRVPVSSYSA-N 1 1 213.252 1.656 10 10 BDCEMO C[N@H+]1CCC[C@@H](COc2ccc(N)cc2)C1 ZINC000002538745 368846343 /nfs/dbraw/zinc/84/63/43/368846343.db2.gz GHHQEFHFJVAIQD-LLVKDONJSA-N 1 1 220.316 1.989 10 10 BDCEMO CCC[N@@H+](CCC(N)=O)Cc1ccc(N)cc1 ZINC000035364845 169140250 /nfs/dbraw/zinc/14/02/50/169140250.db2.gz ILRRQCWBRCNIJB-UHFFFAOYSA-N 1 1 235.331 1.356 10 10 BDCEMO CCC[N@@H+](Cc1ccc(N)cc1)[C@H](C)C(N)=O ZINC000035364855 169174831 /nfs/dbraw/zinc/17/48/31/169174831.db2.gz ZLXHFDXLJLQJHK-SNVBAGLBSA-N 1 1 235.331 1.355 10 10 BDCEMO CCCN1CC[NH+](CCc2ccc(N)cc2)CC1 ZINC000020073809 169203438 /nfs/dbraw/zinc/20/34/38/169203438.db2.gz MQECTWPGWJRBBA-UHFFFAOYSA-N 1 1 247.386 1.839 10 10 BDCEMO C[C@H]1OCC[C@H]1[NH2+]Cc1cccc(F)c1O ZINC000165175712 385078067 /nfs/dbraw/zinc/07/80/67/385078067.db2.gz HYPGTOOBOHBXKF-LDYMZIIASA-N 1 1 225.263 1.798 10 10 BDCEMO COC[C@@H](CCO)[NH2+]Cc1cccc(F)c1O ZINC000226610326 386343809 /nfs/dbraw/zinc/34/38/09/386343809.db2.gz XTXGVJAOQLTIBN-SNVBAGLBSA-N 1 1 243.278 1.018 10 10 BDCEMO C[C@@H](CCO)[NH2+]Cc1cccc(F)c1O ZINC000165178031 388251733 /nfs/dbraw/zinc/25/17/33/388251733.db2.gz NMRFOENMHIZIIM-QMMMGPOBSA-N 1 1 213.252 1.392 10 10 BDCEMO CC(C)NC(=O)C[N@@H+](C)CCc1ccc(N)cc1 ZINC000042601197 167048968 /nfs/dbraw/zinc/04/89/68/167048968.db2.gz OWOCVVNEIYNORB-UHFFFAOYSA-N 1 1 249.358 1.268 10 10 BDCEMO COCCC[NH2+]Cc1cccc(F)c1O ZINC000083347386 174247955 /nfs/dbraw/zinc/24/79/55/174247955.db2.gz NDRYTOQIEDNCBY-UHFFFAOYSA-N 1 1 213.252 1.657 10 10 BDCEMO C[C@H](c1ccccc1O)N1CCC[NH2+]CC1 ZINC000038087010 177042704 /nfs/dbraw/zinc/04/27/04/177042704.db2.gz GXXJQYXGBATFIE-LLVKDONJSA-N 1 1 220.316 1.749 10 10 BDCEMO Cc1ccc(O)c(C[N@@H+]2CC[C@@H](N(C)C)C2)c1 ZINC000134165242 591898610 /nfs/dbraw/zinc/89/86/10/591898610.db2.gz XIRBOCTXSSEDML-CYBMUJFWSA-N 1 1 234.343 1.837 10 10 BDCEMO CC(C)[N@@H+](C)CCC(=O)Nc1ccc(N)cc1 ZINC000022163371 187255001 /nfs/dbraw/zinc/25/50/01/187255001.db2.gz OGBJJRANFXSFQX-UHFFFAOYSA-N 1 1 235.331 1.938 10 10 BDCEMO CC(C)[N@@H+](Cc1ccc(N)cc1)[C@H](C)C(N)=O ZINC000035365437 187258377 /nfs/dbraw/zinc/25/83/77/187258377.db2.gz ACHDONRZYSXDJJ-SNVBAGLBSA-N 1 1 235.331 1.353 10 10 BDCEMO CCN1CC[NH+](Cc2cccc(O)c2O)CC1 ZINC000118621264 368344753 /nfs/dbraw/zinc/34/47/53/368344753.db2.gz ZDGIYCXLIGERNX-UHFFFAOYSA-N 1 1 236.315 1.235 10 10 BDCEMO CCC[N@@H+](C)CCc1ccc(O)c(O)c1 ZINC000033826827 169079166 /nfs/dbraw/zinc/07/91/66/169079166.db2.gz XCQKYIGPZFSZER-UHFFFAOYSA-N 1 1 209.289 1.982 10 10 BDCEMO Oc1c(F)cccc1C[NH2+]CCc1c[nH]cn1 ZINC000083362121 183254809 /nfs/dbraw/zinc/25/48/09/183254809.db2.gz VIMUDQMQXOSLDZ-UHFFFAOYSA-N 1 1 235.262 1.587 10 10 BDCEMO Oc1ccc(C[NH2+]Cc2ccco2)cc1O ZINC000006883822 183270259 /nfs/dbraw/zinc/27/02/59/183270259.db2.gz VTUJFJAPMISIRM-UHFFFAOYSA-N 1 1 219.240 1.981 10 10 BDCEMO CCOc1cc(Cl)c(O)c(C[NH3+])c1 ZINC000029219309 517723497 /nfs/dbraw/zinc/72/34/97/517723497.db2.gz DSFKWUMVBVLAMW-UHFFFAOYSA-N 1 1 201.653 1.903 10 10 BDCEMO CN1CCCc2cc([C@@H]([NH3+])CN)ccc21 ZINC000044474118 536397684 /nfs/dbraw/zinc/39/76/84/536397684.db2.gz JLRADLKEGBGVDD-NSHDSACASA-N 1 1 205.305 1.028 10 10 BDCEMO COC[C@](C)(CO)[NH2+]Cc1cccc(F)c1O ZINC000716809460 712575958 /nfs/dbraw/zinc/57/59/58/712575958.db2.gz FOCNESZRWUYJSV-LBPRGKRZSA-N 1 1 243.278 1.018 10 10 BDCEMO CN1CC[C@H]1C[NH2+]Cc1cccc(F)c1O ZINC000712559681 712445983 /nfs/dbraw/zinc/44/59/83/712445983.db2.gz VTISNKIHUOTIKM-JTQLQIEISA-N 1 1 224.279 1.325 10 10 BDCEMO CC(C)[N@@H+](CC(=O)N(C)C)Cc1ccc(N)cc1 ZINC000035064777 187257458 /nfs/dbraw/zinc/25/74/58/187257458.db2.gz JLOYXXILFKZFCL-UHFFFAOYSA-N 1 1 249.358 1.567 10 10 BDCEMO CN(C)c1[nH+]c2ccc(O)c(O)c2n1C ZINC000039096594 343382383 /nfs/dbraw/zinc/38/23/83/343382383.db2.gz OTJJAKMFVLIGKZ-UHFFFAOYSA-N 1 1 207.233 1.051 10 10 BDCEMO CN(C)c1ccc([C@@H]([NH3+])CN)c(Cl)c1 ZINC000044469486 345085093 /nfs/dbraw/zinc/08/50/93/345085093.db2.gz PHPMFNRJIHCCBI-JTQLQIEISA-N 1 1 213.712 1.365 10 10 BDCEMO Cc1[nH+]ccn1CCOc1ccc(N)cc1 ZINC000036671525 180261467 /nfs/dbraw/zinc/26/14/67/180261467.db2.gz RTYHOQLUOMOUMR-UHFFFAOYSA-N 1 1 217.272 1.853 10 10 BDCEMO CC[C@H](c1ccccc1O)[NH+]1CCNCC1 ZINC000038086660 350304527 /nfs/dbraw/zinc/30/45/27/350304527.db2.gz WSOZMLKZPHPUTI-GFCCVEGCSA-N 1 1 220.316 1.749 10 10 BDCEMO [NH3+]CC[C@@H]([NH3+])c1cc(Cl)ccc1[O-] ZINC000306595019 360512463 /nfs/dbraw/zinc/51/24/63/360512463.db2.gz XQLDKWNDCHXXPN-MRVPVSSYSA-N 1 1 200.669 1.394 10 10 BDCEMO Oc1c(F)cccc1C[NH2+]CCCn1ccnc1 ZINC000083380708 183254513 /nfs/dbraw/zinc/25/45/13/183254513.db2.gz YPLCTSNJTWYYKA-UHFFFAOYSA-N 1 1 249.289 1.908 10 10 BDCEMO CCC[N@@H+](CCc1ccc(N)cc1)CC(=O)NC ZINC000042403716 169170868 /nfs/dbraw/zinc/17/08/68/169170868.db2.gz RYPBLFZVDWIPMJ-UHFFFAOYSA-N 1 1 249.358 1.269 10 10 BDCEMO C[C@H]1OCC[C@@H]1[NH2+]Cc1cccc(F)c1O ZINC000165175947 385077079 /nfs/dbraw/zinc/07/70/79/385077079.db2.gz HYPGTOOBOHBXKF-KCJUWKMLSA-N 1 1 225.263 1.798 10 10 BDCEMO Cc1ccc(O)c([C@H](C)[NH+]2CCNCC2)c1 ZINC000038086760 386121880 /nfs/dbraw/zinc/12/18/80/386121880.db2.gz QSIUVHHZUKXBII-NSHDSACASA-N 1 1 220.316 1.667 10 10 BDCEMO CC[NH2+]Cc1ccc(OC)c(CN(C)C)c1 ZINC000016942061 170127724 /nfs/dbraw/zinc/12/77/24/170127724.db2.gz BKQSDVDSEOOQLG-UHFFFAOYSA-N 1 1 222.332 1.866 10 10 BDCEMO CCOC(=O)[C@@](C)([NH3+])c1ccc(N(C)C)cc1 ZINC000037902599 170260872 /nfs/dbraw/zinc/26/08/72/170260872.db2.gz BLKQEFCCLMTPKB-ZDUSSCGKSA-N 1 1 236.315 1.490 10 10 BDCEMO CNC(=O)CC[NH2+][C@H](C)c1ccc(F)cc1O ZINC000062748368 173260354 /nfs/dbraw/zinc/26/03/54/173260354.db2.gz BDDSHUSGMVSUGR-MRVPVSSYSA-N 1 1 240.278 1.318 10 10 BDCEMO CC[C@@H]([NH2+]Cc1cccc(F)c1O)C(=O)NC ZINC000700468973 711993713 /nfs/dbraw/zinc/99/37/13/711993713.db2.gz JAMZFGQRQKISMJ-SNVBAGLBSA-N 1 1 240.278 1.146 10 10 BDCEMO Nc1ccc([N@@H+]2CC[C@@H]3COC[C@@H]3C2)cc1 ZINC000409432403 343826084 /nfs/dbraw/zinc/82/60/84/343826084.db2.gz VGPWAEKNWKIKCS-MNOVXSKESA-N 1 1 218.300 1.742 10 10 BDCEMO Nc1ccc([N@H+]2CC[C@@H]3COC[C@@H]3C2)cc1 ZINC000409432403 343826086 /nfs/dbraw/zinc/82/60/86/343826086.db2.gz VGPWAEKNWKIKCS-MNOVXSKESA-N 1 1 218.300 1.742 10 10 BDCEMO C[C@@H](O)[C@H]1CCC[N@@H+](c2ccc(N)cc2)C1 ZINC000409434018 343831050 /nfs/dbraw/zinc/83/10/50/343831050.db2.gz ZOWURHCKYJJOEL-MNOVXSKESA-N 1 1 220.316 1.866 10 10 BDCEMO C[C@@H](O)[C@H]1CCC[N@H+](c2ccc(N)cc2)C1 ZINC000409434018 343831051 /nfs/dbraw/zinc/83/10/51/343831051.db2.gz ZOWURHCKYJJOEL-MNOVXSKESA-N 1 1 220.316 1.866 10 10 BDCEMO C[C@@H](O)[C@@H]1CCC[N@@H+](c2ccc(N)cc2)C1 ZINC000409434015 343831059 /nfs/dbraw/zinc/83/10/59/343831059.db2.gz ZOWURHCKYJJOEL-GHMZBOCLSA-N 1 1 220.316 1.866 10 10 BDCEMO C[C@@H](O)[C@@H]1CCC[N@H+](c2ccc(N)cc2)C1 ZINC000409434015 343831060 /nfs/dbraw/zinc/83/10/60/343831060.db2.gz ZOWURHCKYJJOEL-GHMZBOCLSA-N 1 1 220.316 1.866 10 10 BDCEMO Cc1[nH+]ccn1CCC(=O)Nc1ccc(N)cc1 ZINC000022218710 180233713 /nfs/dbraw/zinc/23/37/13/180233713.db2.gz BACWTHNPJMWQBJ-UHFFFAOYSA-N 1 1 244.298 1.803 10 10 BDCEMO NC(=O)[C@H]1CCC[N@@H+](CCc2ccc(N)cc2)C1 ZINC000035677192 181281274 /nfs/dbraw/zinc/28/12/74/181281274.db2.gz YESHNVKKSZOCEG-LBPRGKRZSA-N 1 1 247.342 1.009 10 10 BDCEMO CCC[N@H+](CCC(N)=O)c1ccc(N)cc1 ZINC000063115712 169140138 /nfs/dbraw/zinc/14/01/38/169140138.db2.gz VTHBYQCYMRLTEX-UHFFFAOYSA-N 1 1 221.304 1.361 10 10 BDCEMO CCC[N@@H+](CCC(N)=O)c1ccc(N)cc1 ZINC000063115712 169140139 /nfs/dbraw/zinc/14/01/39/169140139.db2.gz VTHBYQCYMRLTEX-UHFFFAOYSA-N 1 1 221.304 1.361 10 10 BDCEMO Oc1c(F)cccc1C[NH2+]CCn1ccnc1 ZINC000158734396 183255344 /nfs/dbraw/zinc/25/53/44/183255344.db2.gz OHCJWOHUBZYVPH-UHFFFAOYSA-N 1 1 235.262 1.518 10 10 BDCEMO CCC[N@@H+](Cc1ccc(N)cc1)[C@@H](CC)C(N)=O ZINC000061677742 169175306 /nfs/dbraw/zinc/17/53/06/169175306.db2.gz YSNVERPVFVGWHS-ZDUSSCGKSA-N 1 1 249.358 1.745 10 10 BDCEMO Oc1cccc(C[NH2+]Cc2nccs2)c1O ZINC000041049448 183290754 /nfs/dbraw/zinc/29/07/54/183290754.db2.gz ZQVDBIHAGKHIRM-UHFFFAOYSA-N 1 1 236.296 1.844 10 10 BDCEMO CC[C@](C)(CO)[NH2+]Cc1cccc(F)c1O ZINC000165166757 385077447 /nfs/dbraw/zinc/07/74/47/385077447.db2.gz OEXJCYSQCYPZGF-GFCCVEGCSA-N 1 1 227.279 1.782 10 10 BDCEMO Cc1cc(N2CCN(C)CC2)ccc1C[NH3+] ZINC000050581027 132359329 /nfs/dbraw/zinc/35/93/29/132359329.db2.gz RUPBKHPWTYXLNE-UHFFFAOYSA-N 1 1 219.332 1.206 10 10 BDCEMO CCNC(=O)C[N@@H+](Cc1ccc(N)cc1)C(C)C ZINC000035064780 170058715 /nfs/dbraw/zinc/05/87/15/170058715.db2.gz IZPVJVOUCDBQOR-UHFFFAOYSA-N 1 1 249.358 1.615 10 10 BDCEMO CN1CCC[C@H]([N@@H+](C)CCc2ccc(N)cc2)C1 ZINC000053205316 173044057 /nfs/dbraw/zinc/04/40/57/173044057.db2.gz TXOPGVJYXJCCGE-HNNXBMFYSA-N 1 1 247.386 1.837 10 10 BDCEMO CN(CCc1ccc(N)cc1)[C@H]1CCC[N@H+](C)C1 ZINC000053205316 173044058 /nfs/dbraw/zinc/04/40/58/173044058.db2.gz TXOPGVJYXJCCGE-HNNXBMFYSA-N 1 1 247.386 1.837 10 10 BDCEMO CN(CCc1ccc(N)cc1)[C@H]1CCC[N@@H+](C)C1 ZINC000053205316 173044062 /nfs/dbraw/zinc/04/40/62/173044062.db2.gz TXOPGVJYXJCCGE-HNNXBMFYSA-N 1 1 247.386 1.837 10 10 BDCEMO CN1CCC[C@H]([N@@H+](C)Cc2ccc(N)cc2)C1 ZINC000053205130 173044663 /nfs/dbraw/zinc/04/46/63/173044663.db2.gz QXJFCQVZJPTVRM-AWEZNQCLSA-N 1 1 233.359 1.795 10 10 BDCEMO CN(Cc1ccc(N)cc1)[C@H]1CCC[N@H+](C)C1 ZINC000053205130 173044664 /nfs/dbraw/zinc/04/46/64/173044664.db2.gz QXJFCQVZJPTVRM-AWEZNQCLSA-N 1 1 233.359 1.795 10 10 BDCEMO CN(Cc1ccc(N)cc1)[C@H]1CCC[N@@H+](C)C1 ZINC000053205130 173044666 /nfs/dbraw/zinc/04/46/66/173044666.db2.gz QXJFCQVZJPTVRM-AWEZNQCLSA-N 1 1 233.359 1.795 10 10 BDCEMO C[N@H+](Cc1ccc(N)cc1)C[C@@H]1CC[NH+](C)C1 ZINC000109357280 173113237 /nfs/dbraw/zinc/11/32/37/173113237.db2.gz SUYYUPMORWIHTG-CYBMUJFWSA-N 1 1 233.359 1.652 10 10 BDCEMO C[NH+](Cc1ccc(N)cc1)C[C@@H]1CC[N@H+](C)C1 ZINC000109357280 173113239 /nfs/dbraw/zinc/11/32/39/173113239.db2.gz SUYYUPMORWIHTG-CYBMUJFWSA-N 1 1 233.359 1.652 10 10 BDCEMO C[NH+](Cc1ccc(N)cc1)C[C@@H]1CC[N@@H+](C)C1 ZINC000109357280 173113240 /nfs/dbraw/zinc/11/32/40/173113240.db2.gz SUYYUPMORWIHTG-CYBMUJFWSA-N 1 1 233.359 1.652 10 10 BDCEMO CN1CC[C@@H](C[N@H+](C)Cc2ccc(N)cc2)C1 ZINC000109357280 173113241 /nfs/dbraw/zinc/11/32/41/173113241.db2.gz SUYYUPMORWIHTG-CYBMUJFWSA-N 1 1 233.359 1.652 10 10 BDCEMO CN1CC[C@@H](C[N@@H+](C)Cc2ccc(N)cc2)C1 ZINC000109357280 173113244 /nfs/dbraw/zinc/11/32/44/173113244.db2.gz SUYYUPMORWIHTG-CYBMUJFWSA-N 1 1 233.359 1.652 10 10 BDCEMO CN(Cc1ccc(N)cc1)C[C@@H]1CC[N@H+](C)C1 ZINC000109357280 173113245 /nfs/dbraw/zinc/11/32/45/173113245.db2.gz SUYYUPMORWIHTG-CYBMUJFWSA-N 1 1 233.359 1.652 10 10 BDCEMO CN(Cc1ccc(N)cc1)C[C@@H]1CC[N@@H+](C)C1 ZINC000109357280 173113248 /nfs/dbraw/zinc/11/32/48/173113248.db2.gz SUYYUPMORWIHTG-CYBMUJFWSA-N 1 1 233.359 1.652 10 10 BDCEMO C[C@@H](c1ccccc1O)N1CCC[NH2+]CC1 ZINC000038087009 176026955 /nfs/dbraw/zinc/02/69/55/176026955.db2.gz GXXJQYXGBATFIE-NSHDSACASA-N 1 1 220.316 1.749 10 10 BDCEMO C[C@@H]([NH2+]Cc1cccc(F)c1O)[C@H](C)O ZINC000309065383 631831167 /nfs/dbraw/zinc/83/11/67/631831167.db2.gz YZNANXCMSOSYDB-SFYZADRCSA-N 1 1 213.252 1.390 10 10 BDCEMO Cc1ccc(O)c(C[N@H+]2CC[C@H](N)[C@H]2C)c1 ZINC000309170836 632659237 /nfs/dbraw/zinc/65/92/37/632659237.db2.gz AJKIDMNFTRWXLI-PWSUYJOCSA-N 1 1 220.316 1.622 10 10 BDCEMO Cc1ccc(O)c(C[N@@H+]2CC[C@H](N)[C@H]2C)c1 ZINC000309170836 632659240 /nfs/dbraw/zinc/65/92/40/632659240.db2.gz AJKIDMNFTRWXLI-PWSUYJOCSA-N 1 1 220.316 1.622 10 10 BDCEMO Oc1c(F)cccc1C[NH2+][C@H]1CCC[C@H](O)C1 ZINC000158717524 641646567 /nfs/dbraw/zinc/64/65/67/641646567.db2.gz UCISUGKWRVYICT-QWRGUYRKSA-N 1 1 239.290 1.924 10 10 BDCEMO CCC[N@H+](CC(N)=O)Cc1cccc(F)c1O ZINC000379813940 712607690 /nfs/dbraw/zinc/60/76/90/712607690.db2.gz QETKUOAJKAPVGI-UHFFFAOYSA-N 1 1 240.278 1.229 10 10 BDCEMO CCC[N@@H+](CC(N)=O)Cc1cccc(F)c1O ZINC000379813940 712607691 /nfs/dbraw/zinc/60/76/91/712607691.db2.gz QETKUOAJKAPVGI-UHFFFAOYSA-N 1 1 240.278 1.229 10 10 BDCEMO Cc1cc(Br)c(O)c([C@H]([NH3+])CO)c1 ZINC000072199010 187276833 /nfs/dbraw/zinc/27/68/33/187276833.db2.gz HUNVQHGWUHODEX-MRVPVSSYSA-N 1 1 246.104 1.455 10 10 BDCEMO CC(=O)N(C)C1CC[NH+](c2ccc(N)cc2)CC1 ZINC000144490953 374298532 /nfs/dbraw/zinc/29/85/32/374298532.db2.gz IQSNQEMUBWOCOG-UHFFFAOYSA-N 1 1 247.342 1.716 10 10 BDCEMO C[C@H](Cn1cccn1)[NH2+]Cc1cccc(F)c1O ZINC000158716659 384260441 /nfs/dbraw/zinc/26/04/41/384260441.db2.gz JSUKYLIXLZRAES-SNVBAGLBSA-N 1 1 249.289 1.906 10 10 BDCEMO [NH3+]CCC[C@@H]([NH3+])c1cc(Cl)ccc1[O-] ZINC000575438964 387122314 /nfs/dbraw/zinc/12/23/14/387122314.db2.gz POZQHMLUMFWCMH-SECBINFHSA-N 1 1 214.696 1.784 10 10 BDCEMO C[C@H](CCO)[NH2+]Cc1cccc(F)c1O ZINC000165178145 388252043 /nfs/dbraw/zinc/25/20/43/388252043.db2.gz NMRFOENMHIZIIM-MRVPVSSYSA-N 1 1 213.252 1.392 10 10 BDCEMO C[C@H]([NH2+]CC1CC(O)C1)c1ccc(F)cc1O ZINC000091525759 388764684 /nfs/dbraw/zinc/76/46/84/388764684.db2.gz LHYPEMZTFMPBCY-SILCLGDVSA-N 1 1 239.290 1.953 10 10 BDCEMO CN1CCc2cc(CN3CCC([NH3+])CC3)ccc21 ZINC000050287726 173171069 /nfs/dbraw/zinc/17/10/69/173171069.db2.gz XOEASQQCINETFL-UHFFFAOYSA-N 1 1 245.370 1.602 10 10 BDCEMO CNC(=O)[C@@H]1CCC[N@H+]1CCc1ccc(N)cc1 ZINC000042391355 173298807 /nfs/dbraw/zinc/29/88/07/173298807.db2.gz FZRPBCZAVLFCCZ-ZDUSSCGKSA-N 1 1 247.342 1.022 10 10 BDCEMO C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(N)cc2)C1 ZINC000022153900 176096850 /nfs/dbraw/zinc/09/68/50/176096850.db2.gz IQSBCBPHNKXHQJ-LLVKDONJSA-N 1 1 247.342 1.939 10 10 BDCEMO C[C@@H]1C[N@@H+](Cc2ccccc2O)C[C@H]1N(C)C ZINC000251684010 176308011 /nfs/dbraw/zinc/30/80/11/176308011.db2.gz HZCUALLXAQWEGJ-DGCLKSJQSA-N 1 1 234.343 1.774 10 10 BDCEMO C[C@@H]1CN(Cc2ccccc2O)C[C@H]1[NH+](C)C ZINC000251684010 176308012 /nfs/dbraw/zinc/30/80/12/176308012.db2.gz HZCUALLXAQWEGJ-DGCLKSJQSA-N 1 1 234.343 1.774 10 10 BDCEMO OCC1([NH2+]Cc2cccc(F)c2O)CCCC1 ZINC000158755620 632485493 /nfs/dbraw/zinc/48/54/93/632485493.db2.gz TXYLVTJCORZHOW-UHFFFAOYSA-N 1 1 239.290 1.926 10 10 BDCEMO Cc1ccc(O)c(C[N@@H+]2CCC[C@H]2CN)c1 ZINC000168810656 633150051 /nfs/dbraw/zinc/15/00/51/633150051.db2.gz CBYJBSXHZQWQGN-LBPRGKRZSA-N 1 1 220.316 1.624 10 10 BDCEMO Cc1ccc(O)c(C[N@H+]2CCC[C@H]2CN)c1 ZINC000168810656 633150069 /nfs/dbraw/zinc/15/00/69/633150069.db2.gz CBYJBSXHZQWQGN-LBPRGKRZSA-N 1 1 220.316 1.624 10 10 BDCEMO CC1(C)C[N@@H+](c2ccc(N)cc2)C[C@H]1CO ZINC000409432765 343827398 /nfs/dbraw/zinc/82/73/98/343827398.db2.gz LUXUPSAYTKZSMS-JTQLQIEISA-N 1 1 220.316 1.724 10 10 BDCEMO CC1(C)C[N@H+](c2ccc(N)cc2)C[C@H]1CO ZINC000409432765 343827399 /nfs/dbraw/zinc/82/73/99/343827399.db2.gz LUXUPSAYTKZSMS-JTQLQIEISA-N 1 1 220.316 1.724 10 10 BDCEMO Nc1ccc(N2CC[N@H+]3CCCC[C@H]3C2)cc1 ZINC000249977155 362660625 /nfs/dbraw/zinc/66/06/25/362660625.db2.gz CXQBYWWEFMGQBR-AWEZNQCLSA-N 1 1 231.343 1.943 10 10 BDCEMO Cc1cccc(C[N@@H+]2CC[C@@H](N(C)C)C2)c1O ZINC000160235615 179078300 /nfs/dbraw/zinc/07/83/00/179078300.db2.gz WLDCADRONSLBQZ-CYBMUJFWSA-N 1 1 234.343 1.837 10 10 BDCEMO Cc1cccc(CN2CC[C@@H]([NH+](C)C)C2)c1O ZINC000160235615 179078302 /nfs/dbraw/zinc/07/83/02/179078302.db2.gz WLDCADRONSLBQZ-CYBMUJFWSA-N 1 1 234.343 1.837 10 10 BDCEMO Cc1[nH+]ccn1CCOCc1ccc(N)cc1 ZINC000049329262 180262450 /nfs/dbraw/zinc/26/24/50/180262450.db2.gz UJWZYKZTSXLRAL-UHFFFAOYSA-N 1 1 231.299 1.991 10 10 BDCEMO C[C@H](O)[C@H]1CCC[N@@H+](c2ccc(N)cc2)C1 ZINC000409434021 350473102 /nfs/dbraw/zinc/47/31/02/350473102.db2.gz ZOWURHCKYJJOEL-QWRGUYRKSA-N 1 1 220.316 1.866 10 10 BDCEMO C[C@H](O)[C@H]1CCC[N@H+](c2ccc(N)cc2)C1 ZINC000409434021 350473106 /nfs/dbraw/zinc/47/31/06/350473106.db2.gz ZOWURHCKYJJOEL-QWRGUYRKSA-N 1 1 220.316 1.866 10 10 BDCEMO Oc1ccc(Cc2[nH]cc[nH+]2)c(F)c1O ZINC000039096704 183272066 /nfs/dbraw/zinc/27/20/66/183272066.db2.gz PVNPXALUYYRBMJ-UHFFFAOYSA-N 1 1 208.192 1.551 10 10 BDCEMO C[C@@H](O)C(C)(C)[NH2+]Cc1cccc(F)c1O ZINC000163180332 384762876 /nfs/dbraw/zinc/76/28/76/384762876.db2.gz OWMKSPHLEUSODM-MRVPVSSYSA-N 1 1 227.279 1.780 10 10 BDCEMO CC[C@](C)(O)C[NH2+]Cc1cccc(F)c1O ZINC000165168005 385077496 /nfs/dbraw/zinc/07/74/96/385077496.db2.gz HGXBGUPKGOZCKL-LBPRGKRZSA-N 1 1 227.279 1.782 10 10 BDCEMO COC[C@@H](O)CC[NH2+]Cc1cccc(F)c1O ZINC000226618249 387949539 /nfs/dbraw/zinc/94/95/39/387949539.db2.gz NUVBYTQDTBJWOB-JTQLQIEISA-N 1 1 243.278 1.018 10 10 BDCEMO CC(C)(O)C[NH2+]Cc1cccc(F)c1O ZINC000165167876 388251112 /nfs/dbraw/zinc/25/11/12/388251112.db2.gz UYIZIISSDGMNPP-UHFFFAOYSA-N 1 1 213.252 1.392 10 10 BDCEMO CC[C@H](C)[N@@H+](CC(N)=O)Cc1ccc(N)cc1 ZINC000035366670 171312411 /nfs/dbraw/zinc/31/24/11/171312411.db2.gz WRCNYEPJDMBAGL-JTQLQIEISA-N 1 1 235.331 1.355 10 10 BDCEMO C[N@H+]1CCc2c3c(c(O)c(O)c2C1)CCC3 ZINC000033826960 173169695 /nfs/dbraw/zinc/16/96/95/173169695.db2.gz LINRRADDWJYPHU-UHFFFAOYSA-N 1 1 219.284 1.574 10 10 BDCEMO C[C@@H](c1ccccc1O)[NH+]1CCNCC1 ZINC000033426855 176025735 /nfs/dbraw/zinc/02/57/35/176025735.db2.gz MMZWIUVEPUBMMU-JTQLQIEISA-N 1 1 206.289 1.358 10 10 BDCEMO C[C@@H]1CO[C@@H](C)C[N@H+]1CCc1ccc(N)cc1 ZINC000035782485 177253770 /nfs/dbraw/zinc/25/37/70/177253770.db2.gz DLSGHUXQEKEXIJ-NEPJUHHUSA-N 1 1 234.343 1.921 10 10 BDCEMO C[C@H]1C[N@@H+](Cc2ccccc2O)C[C@@H]1N(C)C ZINC000131463292 177266735 /nfs/dbraw/zinc/26/67/35/177266735.db2.gz HZCUALLXAQWEGJ-AAEUAGOBSA-N 1 1 234.343 1.774 10 10 BDCEMO C[C@H]1CN(Cc2ccccc2O)C[C@@H]1[NH+](C)C ZINC000131463292 177266736 /nfs/dbraw/zinc/26/67/36/177266736.db2.gz HZCUALLXAQWEGJ-AAEUAGOBSA-N 1 1 234.343 1.774 10 10 BDCEMO Oc1c(F)cccc1C[NH2+]C[C@@H]1COCCO1 ZINC000158729487 641648684 /nfs/dbraw/zinc/64/86/84/641648684.db2.gz YBOKEEFQNNNRIT-SNVBAGLBSA-N 1 1 241.262 1.036 10 10 BDCEMO Oc1c(F)cc(F)cc1C[NH2+]CC1CC(O)C1 ZINC000708445625 712194866 /nfs/dbraw/zinc/19/48/66/712194866.db2.gz VIFAMMOPPXTNMH-UHFFFAOYSA-N 1 1 243.253 1.531 10 10 BDCEMO Cc1cc(NCc2cc(N)ccc2O)nc(C)[nH+]1 ZINC000037756885 178171564 /nfs/dbraw/zinc/17/15/64/178171564.db2.gz SHFIYXXWKVXKRL-UHFFFAOYSA-N 1 1 244.298 1.993 10 10 BDCEMO C[C@H](O)C1CC[NH+](c2ccc(N)cc2)CC1 ZINC000235570109 343795715 /nfs/dbraw/zinc/79/57/15/343795715.db2.gz TUYXPZJVVUMLKC-JTQLQIEISA-N 1 1 220.316 1.866 10 10 BDCEMO Cc1nc([C@@H]([NH3+])c2ccc(N(C)C)cc2)no1 ZINC000036762221 180040435 /nfs/dbraw/zinc/04/04/35/180040435.db2.gz AUWSJZFJXUHQDW-NSHDSACASA-N 1 1 232.287 1.492 10 10 BDCEMO Cc1nccc(C[NH2+]Cc2ccc(O)c(O)c2)n1 ZINC000037997781 188116346 /nfs/dbraw/zinc/11/63/46/188116346.db2.gz FDPQWDPIFMACLB-UHFFFAOYSA-N 1 1 245.282 1.486 10 10 BDCEMO [NH3+]CC[C@H]([NH3+])c1cc(Cl)ccc1[O-] ZINC000306595020 360513147 /nfs/dbraw/zinc/51/31/47/360513147.db2.gz XQLDKWNDCHXXPN-QMMMGPOBSA-N 1 1 200.669 1.394 10 10 BDCEMO Oc1c(F)cccc1C[NH2+][C@H]1CCCC[C@H]1O ZINC000158753838 183254732 /nfs/dbraw/zinc/25/47/32/183254732.db2.gz UYAHQHCWOXTWIR-NWDGAFQWSA-N 1 1 239.290 1.924 10 10 BDCEMO Oc1c(F)cccc1C[NH2+][C@@H]1CCCC[C@@H]1O ZINC000158753378 183254890 /nfs/dbraw/zinc/25/48/90/183254890.db2.gz UYAHQHCWOXTWIR-NEPJUHHUSA-N 1 1 239.290 1.924 10 10 BDCEMO CC[C@H](O)CC[NH2+]Cc1cccc(F)c1O ZINC000163178864 384761545 /nfs/dbraw/zinc/76/15/45/384761545.db2.gz MDXUZQXWOHTCRO-JTQLQIEISA-N 1 1 227.279 1.782 10 10 BDCEMO C[N@@H+](Cc1cc(N)ccc1O)[C@H]1CCSC1 ZINC000037273583 172840601 /nfs/dbraw/zinc/84/06/01/172840601.db2.gz CORPMWQSIJQAAA-NSHDSACASA-N 1 1 238.356 1.912 10 10 BDCEMO C[N@H+]1CC[C@@H](NC(=O)CCc2ccc(N)cc2)C1 ZINC000042543642 173122440 /nfs/dbraw/zinc/12/24/40/173122440.db2.gz HENCZMSKNKXBFE-CYBMUJFWSA-N 1 1 247.342 1.022 10 10 BDCEMO C[C@@H]1COCC[N@H+]1CCc1ccc(N)cc1 ZINC000035773391 176336640 /nfs/dbraw/zinc/33/66/40/176336640.db2.gz PWXPYAGSPRGNBL-LLVKDONJSA-N 1 1 220.316 1.532 10 10 BDCEMO C[C@H]1COCC[N@@H+]1Cc1ccc(N)cc1 ZINC000035773406 177291897 /nfs/dbraw/zinc/29/18/97/177291897.db2.gz FCZVBLGUSQYADG-JTQLQIEISA-N 1 1 206.289 1.490 10 10 BDCEMO C[C@H]1COCC[N@H+]1Cc1ccc(N)cc1 ZINC000035773406 177291898 /nfs/dbraw/zinc/29/18/98/177291898.db2.gz FCZVBLGUSQYADG-JTQLQIEISA-N 1 1 206.289 1.490 10 10 BDCEMO C[C@H]1COCC[N@H+]1CCc1ccc(N)cc1 ZINC000035773392 177292694 /nfs/dbraw/zinc/29/26/94/177292694.db2.gz PWXPYAGSPRGNBL-NSHDSACASA-N 1 1 220.316 1.532 10 10 BDCEMO Cc1ccc(O)c(C[N@H+]2CC[C@@H](N)[C@@H]2C)c1 ZINC000309170834 632659519 /nfs/dbraw/zinc/65/95/19/632659519.db2.gz AJKIDMNFTRWXLI-CMPLNLGQSA-N 1 1 220.316 1.622 10 10 BDCEMO Cc1ccc(O)c(C[N@@H+]2CC[C@@H](N)[C@@H]2C)c1 ZINC000309170834 632659522 /nfs/dbraw/zinc/65/95/22/632659522.db2.gz AJKIDMNFTRWXLI-CMPLNLGQSA-N 1 1 220.316 1.622 10 10 BDCEMO CC[S@@](=O)CC[NH2+]Cc1cccc(F)c1O ZINC000163173756 636129488 /nfs/dbraw/zinc/12/94/88/636129488.db2.gz LMDCJIMIKPURIB-INIZCTEOSA-N 1 1 245.319 1.390 10 10 BDCEMO CC(C)(CO)C[NH2+]Cc1cccc(F)c1O ZINC000165173559 640545124 /nfs/dbraw/zinc/54/51/24/640545124.db2.gz YKFRLWFYLWKFBM-UHFFFAOYSA-N 1 1 227.279 1.639 10 10 BDCEMO Oc1c(F)cccc1C[NH2+]C[C@H]1C[C@@H](O)C1 ZINC000720955448 711687228 /nfs/dbraw/zinc/68/72/28/711687228.db2.gz APKKSHNUMYGVLS-WAAGHKOSSA-N 1 1 225.263 1.392 10 10 BDCEMO Nc1ccc(C[N@H+]2CCCC[C@@H]2CO)cc1 ZINC000048856920 343065078 /nfs/dbraw/zinc/06/50/78/343065078.db2.gz VJDUIUGTRLYBLV-CYBMUJFWSA-N 1 1 220.316 1.616 10 10 BDCEMO C[C@@H](O)C1CC[NH+](c2ccc(N)cc2)CC1 ZINC000235348881 343795725 /nfs/dbraw/zinc/79/57/25/343795725.db2.gz TUYXPZJVVUMLKC-SNVBAGLBSA-N 1 1 220.316 1.866 10 10 BDCEMO C[C@H](O)[C@@H]1CCC[N@@H+](c2ccc(N)cc2)C1 ZINC000409434023 343831116 /nfs/dbraw/zinc/83/11/16/343831116.db2.gz ZOWURHCKYJJOEL-WDEREUQCSA-N 1 1 220.316 1.866 10 10 BDCEMO C[C@H](O)[C@@H]1CCC[N@H+](c2ccc(N)cc2)C1 ZINC000409434023 343831118 /nfs/dbraw/zinc/83/11/18/343831118.db2.gz ZOWURHCKYJJOEL-WDEREUQCSA-N 1 1 220.316 1.866 10 10 BDCEMO Cn1cc[nH+]c1CCNc1ccc(N)cc1 ZINC000045118319 188123835 /nfs/dbraw/zinc/12/38/35/188123835.db2.gz GABXFLOOPPYLHK-UHFFFAOYSA-N 1 1 216.288 1.657 10 10 BDCEMO Oc1c(F)cccc1C[NH2+][C@H]1CC[C@H](O)CC1 ZINC000252760640 183255025 /nfs/dbraw/zinc/25/50/25/183255025.db2.gz GJIOBIKGHJGBRZ-XYPYZODXSA-N 1 1 239.290 1.924 10 10 BDCEMO Oc1cccc(C[NH2+]Cc2cc[nH]n2)c1O ZINC000041049449 183291771 /nfs/dbraw/zinc/29/17/71/183291771.db2.gz WYAHVZPVXBLNFV-UHFFFAOYSA-N 1 1 219.244 1.111 10 10 BDCEMO CN1CCc2cc(C[NH2+]Cc3ncc[nH]3)ccc21 ZINC000080604177 135382872 /nfs/dbraw/zinc/38/28/72/135382872.db2.gz FVYYXRUWSVCBIX-UHFFFAOYSA-N 1 1 242.326 1.692 10 10 BDCEMO CN(C)C[C@@H]1CCC[N@H+]1Cc1ccc(N)cc1 ZINC000061641695 172486412 /nfs/dbraw/zinc/48/64/12/172486412.db2.gz BFBKMGQZURLAHG-AWEZNQCLSA-N 1 1 233.359 1.795 10 10 BDCEMO C[NH+](C)C[C@@H]1CCCN1Cc1ccc(N)cc1 ZINC000061641695 172486413 /nfs/dbraw/zinc/48/64/13/172486413.db2.gz BFBKMGQZURLAHG-AWEZNQCLSA-N 1 1 233.359 1.795 10 10 BDCEMO C[C@H](c1ccccc1O)[NH+]1CCNCC1 ZINC000033426854 177042346 /nfs/dbraw/zinc/04/23/46/177042346.db2.gz MMZWIUVEPUBMMU-SNVBAGLBSA-N 1 1 206.289 1.358 10 10 BDCEMO Oc1c(F)cccc1C[NH2+]C[C@H]1CCOC1 ZINC000165153931 640539756 /nfs/dbraw/zinc/53/97/56/640539756.db2.gz SSEJAODCAQIUBS-SECBINFHSA-N 1 1 225.263 1.657 10 10 BDCEMO C[C@H]1C[N@H+](Cc2ccccc2O)C[C@@H]1[NH3+] ZINC000235672906 643463209 /nfs/dbraw/zinc/46/32/09/643463209.db2.gz IEUNBKBFLVZPCK-ONGXEEELSA-N 1 1 206.289 1.171 10 10 BDCEMO C[C@H]1C[N@@H+](Cc2ccccc2O)C[C@@H]1[NH3+] ZINC000235672906 643463213 /nfs/dbraw/zinc/46/32/13/643463213.db2.gz IEUNBKBFLVZPCK-ONGXEEELSA-N 1 1 206.289 1.171 10 10 BDCEMO C[C@H]1c2c(O)c(O)ccc2[C@@H](O)C[N@@H+]1C ZINC000039096920 384103998 /nfs/dbraw/zinc/10/39/98/384103998.db2.gz FFPOPDFIKAHFHN-RCOVLWMOSA-N 1 1 209.245 1.138 10 10 BDCEMO C[C@H](CCCO)[NH2+]Cc1cccc(F)c1O ZINC000165172865 385077702 /nfs/dbraw/zinc/07/77/02/385077702.db2.gz SUXVONNJNDDPDJ-SECBINFHSA-N 1 1 227.279 1.782 10 10 BDCEMO C[C@@H]1OCC[C@H]1[NH2+]Cc1cccc(F)c1O ZINC000165175834 385078699 /nfs/dbraw/zinc/07/86/99/385078699.db2.gz HYPGTOOBOHBXKF-GZMMTYOYSA-N 1 1 225.263 1.798 10 10 BDCEMO CCOC(=O)CC[NH2+]Cc1cccc(F)c1O ZINC000083369141 170209169 /nfs/dbraw/zinc/20/91/69/170209169.db2.gz AMWHVPCHXPPJRW-UHFFFAOYSA-N 1 1 241.262 1.574 10 10 BDCEMO C[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(N)cc2)C1 ZINC000022153905 177096653 /nfs/dbraw/zinc/09/66/53/177096653.db2.gz IQSBCBPHNKXHQJ-NSHDSACASA-N 1 1 247.342 1.939 10 10 BDCEMO CC[S@](=O)CC[NH2+]Cc1cccc(F)c1O ZINC000163173858 633050466 /nfs/dbraw/zinc/05/04/66/633050466.db2.gz LMDCJIMIKPURIB-MRXNPFEDSA-N 1 1 245.319 1.390 10 10 BDCEMO CCN(CC)c1ccc([C@H]([NH3+])CN)cc1 ZINC000072200705 343069602 /nfs/dbraw/zinc/06/96/02/343069602.db2.gz VPHDGNGIKRYQGA-GFCCVEGCSA-N 1 1 207.321 1.491 10 10 BDCEMO CCCNC(=O)C[NH2+]Cc1cccc(F)c1O ZINC000158692569 169227225 /nfs/dbraw/zinc/22/72/25/169227225.db2.gz ZOAITVKQTJTUHF-UHFFFAOYSA-N 1 1 240.278 1.147 10 10 BDCEMO CC1(C[NH2+]Cc2cccc(F)c2O)COC1 ZINC000165172661 168044352 /nfs/dbraw/zinc/04/43/52/168044352.db2.gz SJDQQUHPHWBRJE-UHFFFAOYSA-N 1 1 225.263 1.657 10 10 BDCEMO C[N@H+]1CC[C@@H](CNc2ccc(N)cc2)C1 ZINC000037484602 173116914 /nfs/dbraw/zinc/11/69/14/173116914.db2.gz HVENIFXVSXAARK-JTQLQIEISA-N 1 1 205.305 1.632 10 10 BDCEMO C[C@H]1COCC[N@@H+]1CCOc1ccc(N)cc1 ZINC000035773455 177292339 /nfs/dbraw/zinc/29/23/39/177292339.db2.gz HSXHNCLGKYUTPN-NSHDSACASA-N 1 1 236.315 1.368 10 10 BDCEMO C[C@H]1COCC[N@H+]1CCOc1ccc(N)cc1 ZINC000035773455 177292340 /nfs/dbraw/zinc/29/23/40/177292340.db2.gz HSXHNCLGKYUTPN-NSHDSACASA-N 1 1 236.315 1.368 10 10 BDCEMO CC1=NO[C@@H](C[NH2+]Cc2cccc(F)c2O)C1 ZINC000895306968 583645512 /nfs/dbraw/zinc/64/55/12/583645512.db2.gz LVZLECSGQDOQSZ-SNVBAGLBSA-N 1 1 238.262 1.786 10 10 BDCEMO COC1CC([NH2+]Cc2cccc(F)c2O)C1 ZINC000230690669 635492768 /nfs/dbraw/zinc/49/27/68/635492768.db2.gz LMNAKAWQJQQSAO-UHFFFAOYSA-N 1 1 225.263 1.798 10 10 BDCEMO c1cc2c(cc1CNC[C@H]1CC[NH2+]C1)CCCO2 ZINC000258854381 635213373 /nfs/dbraw/zinc/21/33/73/635213373.db2.gz ICDMQWILDVFDPL-ZDUSSCGKSA-N 1 1 246.354 1.711 10 10 BDCEMO c1cc(CNC[C@@H]2CC[NH2+]C2)cc2c1OCC2 ZINC000258956370 635229334 /nfs/dbraw/zinc/22/93/34/635229334.db2.gz RYCGQESSIKFERB-GFCCVEGCSA-N 1 1 232.327 1.321 10 10 BDCEMO NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1O ZINC000044540103 641606013 /nfs/dbraw/zinc/60/60/13/641606013.db2.gz ZUYDHJXXMPYPMP-LBPRGKRZSA-N 1 1 220.316 1.705 10 10 BDCEMO NC[C@@H]1CCCC[N@H+]1Cc1ccccc1O ZINC000044540103 641606017 /nfs/dbraw/zinc/60/60/17/641606017.db2.gz ZUYDHJXXMPYPMP-LBPRGKRZSA-N 1 1 220.316 1.705 10 10 BDCEMO OC[C@@H]([NH2+]Cc1cccc(F)c1O)C1CC1 ZINC000309570508 711646431 /nfs/dbraw/zinc/64/64/31/711646431.db2.gz MQCQZDVZTIFXSM-LLVKDONJSA-N 1 1 225.263 1.392 10 10 BDCEMO Oc1c(F)cccc1C[NH2+]CCc1cn[nH]c1 ZINC000379567132 712388396 /nfs/dbraw/zinc/38/83/96/712388396.db2.gz JTMAENVBTWILLO-UHFFFAOYSA-N 1 1 235.262 1.587 10 10 BDCEMO C[C@H](O)[C@H]1CCC[N@H+]1Cc1ccc(N)cc1 ZINC000146681936 342771538 /nfs/dbraw/zinc/77/15/38/342771538.db2.gz IZPOHWUZLKPKQN-GXFFZTMASA-N 1 1 220.316 1.614 10 10 BDCEMO Nc1ccc(N2CC[N@H+]3CCCC[C@@H]3C2)cc1 ZINC000059996660 343715279 /nfs/dbraw/zinc/71/52/79/343715279.db2.gz CXQBYWWEFMGQBR-CQSZACIVSA-N 1 1 231.343 1.943 10 10 BDCEMO Nc1ccc([N@@H+]2CC[C@H]3COC[C@H]3C2)cc1 ZINC000409432406 350477597 /nfs/dbraw/zinc/47/75/97/350477597.db2.gz VGPWAEKNWKIKCS-WDEREUQCSA-N 1 1 218.300 1.742 10 10 BDCEMO Nc1ccc([N@H+]2CC[C@H]3COC[C@H]3C2)cc1 ZINC000409432406 350477602 /nfs/dbraw/zinc/47/76/02/350477602.db2.gz VGPWAEKNWKIKCS-WDEREUQCSA-N 1 1 218.300 1.742 10 10 BDCEMO COc1c(C)c(OC)c(C[NH3+])c(O)c1Cl ZINC000029216406 371732107 /nfs/dbraw/zinc/73/21/07/371732107.db2.gz SFXGBIQDJOBHRY-UHFFFAOYSA-N 1 1 231.679 1.830 10 10 BDCEMO CCC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(N)cc1 ZINC000037097826 169086532 /nfs/dbraw/zinc/08/65/32/169086532.db2.gz BOFAJESKIDPZPA-SNVBAGLBSA-N 1 1 235.331 1.938 10 10 BDCEMO Oc1c(F)cccc1C[NH2+]C[C@H]1CCC[C@H]1O ZINC000158798373 183254220 /nfs/dbraw/zinc/25/42/20/183254220.db2.gz ZDVNVELXJDGRDB-BXKDBHETSA-N 1 1 239.290 1.782 10 10 BDCEMO C[C@@H](Cn1cccn1)[NH2+]Cc1cccc(F)c1O ZINC000158716498 384259131 /nfs/dbraw/zinc/25/91/31/384259131.db2.gz JSUKYLIXLZRAES-JTQLQIEISA-N 1 1 249.289 1.906 10 10 BDCEMO C[C@]1([NH2+]Cc2cccc(F)c2O)CCOC1 ZINC000163179369 384760616 /nfs/dbraw/zinc/76/06/16/384760616.db2.gz DFPKHJVCAKFULT-LBPRGKRZSA-N 1 1 225.263 1.800 10 10 BDCEMO [NH3+][C@@H](CO)c1c(O)cc(Cl)cc1Cl ZINC000072198428 384814692 /nfs/dbraw/zinc/81/46/92/384814692.db2.gz QANWTJXPFDEQHD-LURJTMIESA-N 1 1 222.071 1.691 10 10 BDCEMO CC[C@@](C)(O)C[NH2+]Cc1cccc(F)c1O ZINC000165168119 171184744 /nfs/dbraw/zinc/18/47/44/171184744.db2.gz HGXBGUPKGOZCKL-GFCCVEGCSA-N 1 1 227.279 1.782 10 10 BDCEMO C[N@H+]1CCC[C@H](c2ccc(O)c(O)c2)C1 ZINC000033829001 173048639 /nfs/dbraw/zinc/04/86/39/173048639.db2.gz UWXIEGJSOHTCPF-JTQLQIEISA-N 1 1 207.273 1.907 10 10 BDCEMO CN1CCc2cc([C@H](CN)[NH+]3CCCC3)ccc21 ZINC000034936241 173172667 /nfs/dbraw/zinc/17/26/67/173172667.db2.gz JBQRHIFZTANXKI-HNNXBMFYSA-N 1 1 245.370 1.775 10 10 BDCEMO C[C@@H]1CCC[N@H+]1CC(=O)N(C)c1ccc(N)cc1 ZINC000037909981 176108737 /nfs/dbraw/zinc/10/87/37/176108737.db2.gz CNNIIYBQVBDNMD-LLVKDONJSA-N 1 1 247.342 1.716 10 10 BDCEMO C[C@H]1CCC[N@H+]1Cc1cc(N)ccc1O ZINC000037909970 177110347 /nfs/dbraw/zinc/11/03/47/177110347.db2.gz ABPJJMDRTABGMJ-VIFPVBQESA-N 1 1 206.289 1.959 10 10 BDCEMO Oc1c(F)cccc1C[NH2+]C[C@H]1COCCO1 ZINC000158729653 641647955 /nfs/dbraw/zinc/64/79/55/641647955.db2.gz YBOKEEFQNNNRIT-JTQLQIEISA-N 1 1 241.262 1.036 10 10 BDCEMO Cc1cc(Cl)c(O)c([C@@H]([NH3+])CN)c1 ZINC000072200572 178060687 /nfs/dbraw/zinc/06/06/87/178060687.db2.gz JCDPFZODOFOTKX-QMMMGPOBSA-N 1 1 200.669 1.313 10 10 BDCEMO CC(C)[N@@H+](CCCO)CCc1ccc(N)cc1 ZINC000042483024 188121008 /nfs/dbraw/zinc/12/10/08/188121008.db2.gz AILRNOJEGHUJFP-UHFFFAOYSA-N 1 1 236.359 1.904 10 10 BDCEMO NC(=O)[C@@H]1CCC[N@@H+](CCc2ccc(N)cc2)C1 ZINC000035677193 181269577 /nfs/dbraw/zinc/26/95/77/181269577.db2.gz YESHNVKKSZOCEG-GFCCVEGCSA-N 1 1 247.342 1.009 10 10 BDCEMO Oc1cc2c(cc1O)Cn1cc[nH+]c1C2 ZINC000039096231 183262570 /nfs/dbraw/zinc/26/25/70/183262570.db2.gz BQUKPRPHYZNSID-UHFFFAOYSA-N 1 1 202.213 1.247 10 10 BDCEMO C[C@@H](Cn1ccnc1)[NH2+]Cc1cccc(F)c1O ZINC000158716799 384259482 /nfs/dbraw/zinc/25/94/82/384259482.db2.gz YOLXGWKNUZZRMF-JTQLQIEISA-N 1 1 249.289 1.906 10 10 BDCEMO C[C@@H](CO)[C@H](C)[NH2+]Cc1cccc(F)c1O ZINC000163176759 384761368 /nfs/dbraw/zinc/76/13/68/384761368.db2.gz YTXHPVXHKPSZHC-IUCAKERBSA-N 1 1 227.279 1.638 10 10 BDCEMO COC(=O)[C@]1(C)CCC[N@H+]1Cc1ccccc1O ZINC000189985790 385201760 /nfs/dbraw/zinc/20/17/60/385201760.db2.gz CIMLYHNSADRXGM-AWEZNQCLSA-N 1 1 249.310 1.920 10 10 BDCEMO CCNC(=O)CC[N@@H+](CC)Cc1ccc(N)cc1 ZINC000051760115 170051009 /nfs/dbraw/zinc/05/10/09/170051009.db2.gz BCMYUDVHHMUYSI-UHFFFAOYSA-N 1 1 249.358 1.617 10 10 BDCEMO CN1CCc2cc([C@H]([NH3+])c3ncon3)ccc21 ZINC000050287906 173172637 /nfs/dbraw/zinc/17/26/37/173172637.db2.gz XVLSVMJFKWERKF-NSHDSACASA-N 1 1 230.271 1.110 10 10 BDCEMO CNC(=O)C[N@@H+](Cc1ccc(N)cc1)C(C)C ZINC000035365358 173272936 /nfs/dbraw/zinc/27/29/36/173272936.db2.gz LCXCRWKIEMNFJA-UHFFFAOYSA-N 1 1 235.331 1.225 10 10 BDCEMO C[C@@H]1C[N@H+](CCc2ccc(N)cc2)C[C@H](C)O1 ZINC000020071830 177254387 /nfs/dbraw/zinc/25/43/87/177254387.db2.gz MVOJGFBTRPXOFC-TXEJJXNPSA-N 1 1 234.343 1.921 10 10 BDCEMO OC[C@@H](CC(F)F)[NH2+]Cc1cccc(F)c1O ZINC000717712917 712666655 /nfs/dbraw/zinc/66/66/55/712666655.db2.gz LBLSDZPVLCKNAS-MRVPVSSYSA-N 1 1 249.232 1.637 10 10 BDCEMO CC1(C)C[N@@H+](c2ccc(N)cc2)C[C@@H]1CO ZINC000409432766 343827423 /nfs/dbraw/zinc/82/74/23/343827423.db2.gz LUXUPSAYTKZSMS-SNVBAGLBSA-N 1 1 220.316 1.724 10 10 BDCEMO CC1(C)C[N@H+](c2ccc(N)cc2)C[C@@H]1CO ZINC000409432766 343827424 /nfs/dbraw/zinc/82/74/24/343827424.db2.gz LUXUPSAYTKZSMS-SNVBAGLBSA-N 1 1 220.316 1.724 10 10 BDCEMO Cc1[nH+]ccn1CC(=O)Nc1ccc(N)cc1 ZINC000022167474 180232114 /nfs/dbraw/zinc/23/21/14/180232114.db2.gz JLOBDHBYKUDXQN-UHFFFAOYSA-N 1 1 230.271 1.412 10 10 BDCEMO CC(C)[N@@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000132489253 191103361 /nfs/dbraw/zinc/10/33/61/191103361.db2.gz GDWSLQQULAHHGN-UHFFFAOYSA-N 1 1 223.272 1.961 10 10 BDCEMO CCC[N@H+](CCC(=O)NC)c1ccc(N)cc1 ZINC000063115906 169137740 /nfs/dbraw/zinc/13/77/40/169137740.db2.gz XEJUTIFKWZQUTO-UHFFFAOYSA-N 1 1 235.331 1.621 10 10 BDCEMO CCC[N@@H+](CCC(=O)NC)c1ccc(N)cc1 ZINC000063115906 169137742 /nfs/dbraw/zinc/13/77/42/169137742.db2.gz XEJUTIFKWZQUTO-UHFFFAOYSA-N 1 1 235.331 1.621 10 10 BDCEMO COc1ccc2c(c1)OCCN2Cc1cnc[nH]1 ZINC000584626246 387504091 /nfs/dbraw/zinc/50/40/91/387504091.db2.gz FWJJVNJZQISWRY-UHFFFAOYSA-N 1 1 245.282 1.817 10 10 BDCEMO CCNC(=O)[C@H](C)[N@@H+](C)Cc1ccc(N)cc1 ZINC000035360542 170092590 /nfs/dbraw/zinc/09/25/90/170092590.db2.gz ZDMHGROKJZFSSW-JTQLQIEISA-N 1 1 235.331 1.225 10 10 BDCEMO CN1CCc2cc([C@@H]([NH3+])c3ncon3)ccc21 ZINC000050287908 173171291 /nfs/dbraw/zinc/17/12/91/173171291.db2.gz XVLSVMJFKWERKF-LLVKDONJSA-N 1 1 230.271 1.110 10 10 BDCEMO COCCC[N@@H+](C)CCOc1ccc(N)cc1 ZINC000062029116 174216815 /nfs/dbraw/zinc/21/68/15/174216815.db2.gz YONQFSZWSUIBHG-UHFFFAOYSA-N 1 1 238.331 1.616 10 10 BDCEMO C[C@H]1C[N@@H+](Cc2cc(N)ccc2O)CCO1 ZINC000037272212 177260185 /nfs/dbraw/zinc/26/01/85/177260185.db2.gz WNMGDILQWAGVSR-VIFPVBQESA-N 1 1 222.288 1.195 10 10 BDCEMO C[C@H]1C[N@@H+](Cc2ccccc2O)C[C@H]1N(C)C ZINC000251684015 177266886 /nfs/dbraw/zinc/26/68/86/177266886.db2.gz HZCUALLXAQWEGJ-WCQYABFASA-N 1 1 234.343 1.774 10 10 BDCEMO C[C@H]1CN(Cc2ccccc2O)C[C@H]1[NH+](C)C ZINC000251684015 177266888 /nfs/dbraw/zinc/26/68/88/177266888.db2.gz HZCUALLXAQWEGJ-WCQYABFASA-N 1 1 234.343 1.774 10 10 BDCEMO Cc1ccc(O)c(C[N@H+]2C[C@H](C)[C@H](N)C2)c1 ZINC000300050387 592501682 /nfs/dbraw/zinc/50/16/82/592501682.db2.gz ZKHSCGZQBRARRE-CMPLNLGQSA-N 1 1 220.316 1.480 10 10 BDCEMO Cc1ccc(O)c(C[N@@H+]2C[C@H](C)[C@H](N)C2)c1 ZINC000300050387 592501683 /nfs/dbraw/zinc/50/16/83/592501683.db2.gz ZKHSCGZQBRARRE-CMPLNLGQSA-N 1 1 220.316 1.480 10 10 BDCEMO CN1CCC[C@@H]([NH2+]Cc2cccc(F)c2O)C1 ZINC000158732964 641648742 /nfs/dbraw/zinc/64/87/42/641648742.db2.gz MXHMJWAGZZSWBY-LLVKDONJSA-N 1 1 238.306 1.715 10 10 BDCEMO CC[C@H]([NH2+]Cc1cccc(F)c1O)C(=O)NC ZINC000700468972 711993618 /nfs/dbraw/zinc/99/36/18/711993618.db2.gz JAMZFGQRQKISMJ-JTQLQIEISA-N 1 1 240.278 1.146 10 10 BDCEMO C[C@@H]1[C@@H]([NH2+]Cc2cccc(F)c2O)CCN1C ZINC000719617522 712816882 /nfs/dbraw/zinc/81/68/82/712816882.db2.gz ILTLCUYFICJXSX-SKDRFNHKSA-N 1 1 238.306 1.714 10 10 BDCEMO [NH3+][C@@H](CO)c1c(O)c(F)ccc1C(F)(F)F ZINC000072198875 343068994 /nfs/dbraw/zinc/06/89/94/343068994.db2.gz BCKOPDRRYLGLHG-LURJTMIESA-N 1 1 239.168 1.542 10 10 BDCEMO CC[C@@H](c1ccccc1O)[NH+]1CCNCC1 ZINC000038086659 350304378 /nfs/dbraw/zinc/30/43/78/350304378.db2.gz WSOZMLKZPHPUTI-LBPRGKRZSA-N 1 1 220.316 1.749 10 10 BDCEMO COCC[N@@H+](CCc1ccc(N)cc1)C1CC1 ZINC000042517316 188293689 /nfs/dbraw/zinc/29/36/89/188293689.db2.gz RCTBSEBLFCFDEI-UHFFFAOYSA-N 1 1 234.343 1.922 10 10 BDCEMO CCCN[C@@H](C[NH3+])c1ccc2c(c1)CCN2C ZINC000050287365 169279855 /nfs/dbraw/zinc/27/98/55/169279855.db2.gz VTEKMQNSVJBEMS-ZDUSSCGKSA-N 1 1 233.359 1.678 10 10 BDCEMO CC[C@@H]1C[N@@H+](Cc2cc(N)ccc2O)CCO1 ZINC000036768930 171088854 /nfs/dbraw/zinc/08/88/54/171088854.db2.gz QSGMDGUDFWNDCK-GFCCVEGCSA-N 1 1 236.315 1.585 10 10 BDCEMO CN1CCC[N@@H+](Cc2ccc(N)cc2)CC1 ZINC000020217473 173018286 /nfs/dbraw/zinc/01/82/86/173018286.db2.gz UPWDVFKIHUNUFG-UHFFFAOYSA-N 1 1 219.332 1.406 10 10 BDCEMO C[N@@H+]1CCCN(Cc2ccc(N)cc2)CC1 ZINC000020217473 173018287 /nfs/dbraw/zinc/01/82/87/173018287.db2.gz UPWDVFKIHUNUFG-UHFFFAOYSA-N 1 1 219.332 1.406 10 10 BDCEMO C[N@H+]1CCCN(Cc2ccc(N)cc2)CC1 ZINC000020217473 173018289 /nfs/dbraw/zinc/01/82/89/173018289.db2.gz UPWDVFKIHUNUFG-UHFFFAOYSA-N 1 1 219.332 1.406 10 10 BDCEMO C[NH+]1CCN(C(=O)Nc2ccc(N)cc2)CC1 ZINC000035407509 173068713 /nfs/dbraw/zinc/06/87/13/173068713.db2.gz MMKUNLQQBDAVRV-UHFFFAOYSA-N 1 1 234.303 1.048 10 10 BDCEMO C[N@H+]1CC[C@H](NC(=O)CCc2ccc(N)cc2)C1 ZINC000042543641 173149922 /nfs/dbraw/zinc/14/99/22/173149922.db2.gz HENCZMSKNKXBFE-ZDUSSCGKSA-N 1 1 247.342 1.022 10 10 BDCEMO C[C@@H]1CCC[N@H+]1Cc1cc(N)ccc1O ZINC000037909969 176107988 /nfs/dbraw/zinc/10/79/88/176107988.db2.gz ABPJJMDRTABGMJ-SECBINFHSA-N 1 1 206.289 1.959 10 10 BDCEMO C[C@@H]1C[N@@H+](CCc2ccc(N)cc2)CCO1 ZINC000020072081 176293721 /nfs/dbraw/zinc/29/37/21/176293721.db2.gz AMZMWUCLBQAXSV-LLVKDONJSA-N 1 1 220.316 1.532 10 10 BDCEMO Cc1cc(Cl)c(O)c([C@H]([NH3+])CO)c1 ZINC000072197905 178060434 /nfs/dbraw/zinc/06/04/34/178060434.db2.gz QZZOFFSACRWEPA-MRVPVSSYSA-N 1 1 201.653 1.346 10 10 BDCEMO [NH3+][C@H](CO)c1c(O)c(F)ccc1C(F)(F)F ZINC000072198874 343069253 /nfs/dbraw/zinc/06/92/53/343069253.db2.gz BCKOPDRRYLGLHG-ZCFIWIBFSA-N 1 1 239.168 1.542 10 10 BDCEMO CN(C)c1ccc([C@H]([NH3+])CN)c(Cl)c1 ZINC000044469483 345084845 /nfs/dbraw/zinc/08/48/45/345084845.db2.gz PHPMFNRJIHCCBI-SNVBAGLBSA-N 1 1 213.712 1.365 10 10 BDCEMO Oc1c(F)cccc1C[NH2+]CCCn1cccn1 ZINC000135887931 183255669 /nfs/dbraw/zinc/25/56/69/183255669.db2.gz LAGXFTQDSJKIDL-UHFFFAOYSA-N 1 1 249.289 1.908 10 10 BDCEMO C[N@@H+]1CC=C(c2ccc(O)c(O)c2)CC1 ZINC000005966264 384140160 /nfs/dbraw/zinc/14/01/60/384140160.db2.gz STKXSZGYJMADCX-UHFFFAOYSA-N 1 1 205.257 1.817 10 10 BDCEMO C[C@@H]([NH2+]Cc1cccc(F)c1O)[C@H](C)CO ZINC000163176640 384760777 /nfs/dbraw/zinc/76/07/77/384760777.db2.gz YTXHPVXHKPSZHC-RKDXNWHRSA-N 1 1 227.279 1.638 10 10 BDCEMO CN(C(=O)C[N@H+](C)C1CC1)c1ccc(N)cc1 ZINC000037273172 172308034 /nfs/dbraw/zinc/30/80/34/172308034.db2.gz XZZKIFJUDHGPSE-UHFFFAOYSA-N 1 1 233.315 1.326 10 10 BDCEMO CN(C(=O)C[N@@H+](C)C1CC1)c1ccc(N)cc1 ZINC000037273172 172308035 /nfs/dbraw/zinc/30/80/35/172308035.db2.gz XZZKIFJUDHGPSE-UHFFFAOYSA-N 1 1 233.315 1.326 10 10 BDCEMO C[N@H+]1CCC[C@H]1Cc1ccc(O)c(O)c1 ZINC000045803106 173059220 /nfs/dbraw/zinc/05/92/20/173059220.db2.gz KBAHPTQLJDXGFC-JTQLQIEISA-N 1 1 207.273 1.735 10 10 BDCEMO COc1cc2c(c(O)c1OC)[C@H](C)[N@@H+](C)CC2 ZINC000005752362 175019516 /nfs/dbraw/zinc/01/95/16/175019516.db2.gz NKHMWHLJHODBEP-QMMMGPOBSA-N 1 1 237.299 1.958 10 10 BDCEMO c1cc(CNC[C@H]2CC[NH2+]C2)cc2c1OCC2 ZINC000258956374 635229389 /nfs/dbraw/zinc/22/93/89/635229389.db2.gz RYCGQESSIKFERB-LBPRGKRZSA-N 1 1 232.327 1.321 10 10 BDCEMO CN1CCC[C@H]([NH2+]Cc2cccc(F)c2O)C1 ZINC000158732791 641648810 /nfs/dbraw/zinc/64/88/10/641648810.db2.gz MXHMJWAGZZSWBY-NSHDSACASA-N 1 1 238.306 1.715 10 10 BDCEMO CO[C@@](C)(CO)C[NH2+]Cc1cccc(F)c1O ZINC000702538771 712055227 /nfs/dbraw/zinc/05/52/27/712055227.db2.gz WGXQBSAFLIMADI-GFCCVEGCSA-N 1 1 243.278 1.018 10 10 BDCEMO C[C@@H](O)[C@@H]1CCC[N@H+]1Cc1ccc(N)cc1 ZINC000146681359 342771531 /nfs/dbraw/zinc/77/15/31/342771531.db2.gz IZPOHWUZLKPKQN-MFKMUULPSA-N 1 1 220.316 1.614 10 10 BDCEMO Nc1ccc([N@@H+]2CC[C@@H]3COC[C@H]3C2)cc1 ZINC000409432402 343826104 /nfs/dbraw/zinc/82/61/04/343826104.db2.gz VGPWAEKNWKIKCS-GHMZBOCLSA-N 1 1 218.300 1.742 10 10 BDCEMO Nc1ccc([N@H+]2CC[C@@H]3COC[C@H]3C2)cc1 ZINC000409432402 343826105 /nfs/dbraw/zinc/82/61/05/343826105.db2.gz VGPWAEKNWKIKCS-GHMZBOCLSA-N 1 1 218.300 1.742 10 10 BDCEMO [NH3+]C1CCN(Cc2ccc(O)cc2O)CC1 ZINC000020521573 181345313 /nfs/dbraw/zinc/34/53/13/181345313.db2.gz NWLQTJVVBBLYJQ-UHFFFAOYSA-N 1 1 222.288 1.021 10 10 BDCEMO Cn1nccc1C[NH2+]Cc1cccc(F)c1O ZINC000158767557 384267863 /nfs/dbraw/zinc/26/78/63/384267863.db2.gz YUXMOAYHNHWIGQ-UHFFFAOYSA-N 1 1 235.262 1.555 10 10 BDCEMO C[C@H](CO)[C@H](C)[NH2+]Cc1cccc(F)c1O ZINC000163176870 384762433 /nfs/dbraw/zinc/76/24/33/384762433.db2.gz YTXHPVXHKPSZHC-BDAKNGLRSA-N 1 1 227.279 1.638 10 10 BDCEMO C[C@@H](CCO)C[NH2+]Cc1cccc(F)c1O ZINC000165169886 385077283 /nfs/dbraw/zinc/07/72/83/385077283.db2.gz DKZUVPONLKMKQG-VIFPVBQESA-N 1 1 227.279 1.639 10 10 BDCEMO Cc1c(C[NH2+]Cc2cccc(F)c2O)cnn1C ZINC000226618463 386349128 /nfs/dbraw/zinc/34/91/28/386349128.db2.gz VANJYFLWMVXNSD-UHFFFAOYSA-N 1 1 249.289 1.863 10 10 BDCEMO COc1ccc(N2CC[NH+](C[C@H]3CO3)CC2)cc1 ZINC000019389920 132324647 /nfs/dbraw/zinc/32/46/47/132324647.db2.gz PEFZLLLLBQLROG-AWEZNQCLSA-N 1 1 248.326 1.216 10 10 BDCEMO CCOC(=O)[C@](C)([NH3+])c1ccc(N(C)C)cc1 ZINC000037902598 170283606 /nfs/dbraw/zinc/28/36/06/170283606.db2.gz BLKQEFCCLMTPKB-CYBMUJFWSA-N 1 1 236.315 1.490 10 10 BDCEMO C[N@H+]1CCC[C@@H]1Cc1ccc(O)c(O)c1 ZINC000045803104 173033772 /nfs/dbraw/zinc/03/37/72/173033772.db2.gz KBAHPTQLJDXGFC-SNVBAGLBSA-N 1 1 207.273 1.735 10 10 BDCEMO COCC[N@@H+](Cc1ccc(N)cc1)C1CC1 ZINC000035366056 174298583 /nfs/dbraw/zinc/29/85/83/174298583.db2.gz QVXCKURJOUUZKW-UHFFFAOYSA-N 1 1 220.316 1.880 10 10 BDCEMO C[C@H]1CCC[N@H+]1CC(=O)Nc1ccc(N)cc1 ZINC000037909808 177109361 /nfs/dbraw/zinc/10/93/61/177109361.db2.gz KKZAGDZBUOXMAS-JTQLQIEISA-N 1 1 233.315 1.692 10 10 BDCEMO C[C@H]1C[N@@H+](CCc2ccc(N)cc2)CCN1C ZINC000104129525 177255056 /nfs/dbraw/zinc/25/50/56/177255056.db2.gz YBWFYPJKBRYWSN-LBPRGKRZSA-N 1 1 233.359 1.447 10 10 BDCEMO C[C@H]1CN(CCc2ccc(N)cc2)CC[N@@H+]1C ZINC000104129525 177255058 /nfs/dbraw/zinc/25/50/58/177255058.db2.gz YBWFYPJKBRYWSN-LBPRGKRZSA-N 1 1 233.359 1.447 10 10 BDCEMO C[C@H]1CN(CCc2ccc(N)cc2)CC[N@H+]1C ZINC000104129525 177255059 /nfs/dbraw/zinc/25/50/59/177255059.db2.gz YBWFYPJKBRYWSN-LBPRGKRZSA-N 1 1 233.359 1.447 10 10 BDCEMO CN1CCCc2cc([C@H]([NH3+])CN)ccc21 ZINC000044474115 536398400 /nfs/dbraw/zinc/39/84/00/536398400.db2.gz JLRADLKEGBGVDD-LLVKDONJSA-N 1 1 205.305 1.028 10 10 BDCEMO C[C@@H]([NH2+]Cc1cccc(F)c1O)C(C)(C)O ZINC000309733718 633998347 /nfs/dbraw/zinc/99/83/47/633998347.db2.gz BTPADLLJDIKMDQ-MRVPVSSYSA-N 1 1 227.279 1.780 10 10 BDCEMO Oc1c(F)cccc1C[NH2+]C[C@@H]1CCOC1 ZINC000165153821 640539522 /nfs/dbraw/zinc/53/95/22/640539522.db2.gz SSEJAODCAQIUBS-VIFPVBQESA-N 1 1 225.263 1.657 10 10 BDCEMO Oc1c(F)cccc1C[NH2+][C@H]1CC12CC(O)C2 ZINC000724985997 710753486 /nfs/dbraw/zinc/75/34/86/710753486.db2.gz MHTKOHGKSWMZCM-QDYJBQRPSA-N 1 1 237.274 1.534 10 10 BDCEMO Oc1c(F)cccc1C[NH2+]CC1CC(O)C1 ZINC000165169765 398205844 /nfs/dbraw/zinc/20/58/44/398205844.db2.gz APKKSHNUMYGVLS-UHFFFAOYSA-N 1 1 225.263 1.392 10 10 BDCEMO Cc1nc([C@H]([NH3+])c2ccc(N(C)C)cc2)no1 ZINC000036762220 180055452 /nfs/dbraw/zinc/05/54/52/180055452.db2.gz AUWSJZFJXUHQDW-LLVKDONJSA-N 1 1 232.287 1.492 10 10 BDCEMO CCCNC(=O)C[N@@H+](C)Cc1ccc(N)cc1 ZINC000035360478 169219663 /nfs/dbraw/zinc/21/96/63/169219663.db2.gz AVPYSNQZIUUHMG-UHFFFAOYSA-N 1 1 235.331 1.227 10 10 BDCEMO CCCN[C@H](C[NH3+])c1ccc2c(c1)CCN2C ZINC000050287367 169289029 /nfs/dbraw/zinc/28/90/29/169289029.db2.gz VTEKMQNSVJBEMS-CYBMUJFWSA-N 1 1 233.359 1.678 10 10 BDCEMO CC(C)(CCO)[NH2+]Cc1cccc(F)c1O ZINC000163174005 384762080 /nfs/dbraw/zinc/76/20/80/384762080.db2.gz FZICNSSSNGFHCT-UHFFFAOYSA-N 1 1 227.279 1.782 10 10 BDCEMO [NH3+][C@@H](CO)c1cccc(Br)c1O ZINC000072198719 384816654 /nfs/dbraw/zinc/81/66/54/384816654.db2.gz YQNUKWBOXOLUSU-ZETCQYMHSA-N 1 1 232.077 1.147 10 10 BDCEMO CC(C)[C@@H](CO)[NH2+]Cc1cccc(F)c1O ZINC000165172428 385077159 /nfs/dbraw/zinc/07/71/59/385077159.db2.gz RVSHMLIEAPDCAV-LLVKDONJSA-N 1 1 227.279 1.638 10 10 BDCEMO C[N@H+]1CCC[C@@H](Nc2ccccc2N)C1 ZINC000040715823 173022948 /nfs/dbraw/zinc/02/29/48/173022948.db2.gz OCKPUUFDVJJXFS-SNVBAGLBSA-N 1 1 205.305 1.775 10 10 BDCEMO Nc1ccc([NH2+]CCCN2CCCC2=O)cc1 ZINC000146790853 487899758 /nfs/dbraw/zinc/89/97/58/487899758.db2.gz VWAOQPOKLNVILI-UHFFFAOYSA-N 1 1 233.315 1.693 10 10 BDCEMO Cc1ccc(O)c(C[N@H+]2C[C@@H](C)[C@@H](N)C2)c1 ZINC000235344136 635573941 /nfs/dbraw/zinc/57/39/41/635573941.db2.gz ZKHSCGZQBRARRE-PWSUYJOCSA-N 1 1 220.316 1.480 10 10 BDCEMO Cc1ccc(O)c(C[N@@H+]2C[C@@H](C)[C@@H](N)C2)c1 ZINC000235344136 635573944 /nfs/dbraw/zinc/57/39/44/635573944.db2.gz ZKHSCGZQBRARRE-PWSUYJOCSA-N 1 1 220.316 1.480 10 10 BDCEMO Oc1c(F)cccc1C[NH2+]CCn1cccn1 ZINC000158735044 632482527 /nfs/dbraw/zinc/48/25/27/632482527.db2.gz CGAIAGZUJQDYLC-UHFFFAOYSA-N 1 1 235.262 1.518 10 10 BDCEMO Oc1c(F)cccc1C[NH2+][C@@H]1CCC[C@@H](O)C1 ZINC000158717638 641645906 /nfs/dbraw/zinc/64/59/06/641645906.db2.gz UCISUGKWRVYICT-GHMZBOCLSA-N 1 1 239.290 1.924 10 10 BDCEMO CC(C)N(C)CC[NH2+]Cc1cccc(F)c1O ZINC000158758484 641650608 /nfs/dbraw/zinc/65/06/08/641650608.db2.gz VEKFNNOPPHZCFG-UHFFFAOYSA-N 1 1 240.322 1.961 10 10 BDCEMO OCC1(C[NH2+]Cc2cccc(F)c2O)CCC1 ZINC000717644421 712662766 /nfs/dbraw/zinc/66/27/66/712662766.db2.gz GTOCFWHFRSLRTF-UHFFFAOYSA-N 1 1 239.290 1.784 10 10 BDCEMO C[C@H]1[C@@H]([NH2+]Cc2cccc(F)c2O)CCN1C ZINC000719617517 712817068 /nfs/dbraw/zinc/81/70/68/712817068.db2.gz ILTLCUYFICJXSX-CABZTGNLSA-N 1 1 238.306 1.714 10 10 BDCEMO CCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(N)cc1 ZINC000037097825 169086991 /nfs/dbraw/zinc/08/69/91/169086991.db2.gz BOFAJESKIDPZPA-JTQLQIEISA-N 1 1 235.331 1.938 10 10 BDCEMO COC[C@H](O)CC[NH2+]Cc1cccc(F)c1O ZINC000226618257 387949733 /nfs/dbraw/zinc/94/97/33/387949733.db2.gz NUVBYTQDTBJWOB-SNVBAGLBSA-N 1 1 243.278 1.018 10 10 BDCEMO CCc1nc([C@@H]([NH3+])c2ccc(N(C)C)cc2)no1 ZINC000036762640 172005013 /nfs/dbraw/zinc/00/50/13/172005013.db2.gz FBUWWZDJKNCJLW-LBPRGKRZSA-N 1 1 246.314 1.746 10 10 BDCEMO C[N@H+]1CC[C@@H](NC(=O)Nc2ccc(N)cc2)C1 ZINC000042549556 173122411 /nfs/dbraw/zinc/12/24/11/173122411.db2.gz ZGIRKMMLELJAAC-LLVKDONJSA-N 1 1 234.303 1.094 10 10 BDCEMO CN1CC[C@H](C[N@H+](C)Cc2ccccc2O)C1 ZINC000156018007 173142698 /nfs/dbraw/zinc/14/26/98/173142698.db2.gz IODGFIRXTDBSBO-LBPRGKRZSA-N 1 1 234.343 1.776 10 10 BDCEMO CN1CC[C@H](C[N@@H+](C)Cc2ccccc2O)C1 ZINC000156018007 173142700 /nfs/dbraw/zinc/14/27/00/173142700.db2.gz IODGFIRXTDBSBO-LBPRGKRZSA-N 1 1 234.343 1.776 10 10 BDCEMO C[N@H+]1CCc2c(O)c(O)c3c(c2C1)CCC3 ZINC000033824233 173168045 /nfs/dbraw/zinc/16/80/45/173168045.db2.gz KZNJARARCAJVIN-UHFFFAOYSA-N 1 1 219.284 1.574 10 10 BDCEMO CNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000062748174 173295018 /nfs/dbraw/zinc/29/50/18/173295018.db2.gz FKZFUTRGCJQRDI-JGVFFNPUSA-N 1 1 240.278 1.316 10 10 BDCEMO COc1ccc(C[NH2+]CCCN(C)C)c(O)c1 ZINC000040905812 175106840 /nfs/dbraw/zinc/10/68/40/175106840.db2.gz PLDZCABCWBQUOL-UHFFFAOYSA-N 1 1 238.331 1.442 10 10 BDCEMO C[C@@H](CO)[C@@H](C)[NH2+]Cc1cccc(F)c1O ZINC000163176514 175761699 /nfs/dbraw/zinc/76/16/99/175761699.db2.gz YTXHPVXHKPSZHC-DTWKUNHWSA-N 1 1 227.279 1.638 10 10 BDCEMO C[C@@H]1CC[N@@H+](Cc2cc(N)ccc2O)C1 ZINC000040716956 176174442 /nfs/dbraw/zinc/17/44/42/176174442.db2.gz YHLKZRWUDDBBDK-SECBINFHSA-N 1 1 206.289 1.816 10 10 BDCEMO C[C@@H]1COCC[N@@H+]1CCOc1ccc(N)cc1 ZINC000035773454 176335732 /nfs/dbraw/zinc/33/57/32/176335732.db2.gz HSXHNCLGKYUTPN-LLVKDONJSA-N 1 1 236.315 1.368 10 10 BDCEMO C[C@@H]1COCC[N@H+]1CCOc1ccc(N)cc1 ZINC000035773454 176335735 /nfs/dbraw/zinc/33/57/35/176335735.db2.gz HSXHNCLGKYUTPN-LLVKDONJSA-N 1 1 236.315 1.368 10 10 BDCEMO CC1=NO[C@H](C[NH2+]Cc2cccc(F)c2O)C1 ZINC000895306967 583645362 /nfs/dbraw/zinc/64/53/62/583645362.db2.gz LVZLECSGQDOQSZ-JTQLQIEISA-N 1 1 238.262 1.786 10 10 BDCEMO Cn1cc(CC[NH2+]Cc2cccc(F)c2O)cn1 ZINC000158814282 632487870 /nfs/dbraw/zinc/48/78/70/632487870.db2.gz XYMLGNNKUJEJLW-UHFFFAOYSA-N 1 1 249.289 1.597 10 10 BDCEMO CO[C@](C)(CO)C[NH2+]Cc1cccc(F)c1O ZINC000702538776 712055036 /nfs/dbraw/zinc/05/50/36/712055036.db2.gz WGXQBSAFLIMADI-LBPRGKRZSA-N 1 1 243.278 1.018 10 10 BDCEMO OC[C@H]1C[C@@H]([NH2+]Cc2cccc(F)c2O)C1 ZINC000707680532 712176070 /nfs/dbraw/zinc/17/60/70/712176070.db2.gz QSUMSMISRSAEMS-WAAGHKOSSA-N 1 1 225.263 1.392 10 10 BDCEMO Cc1nccn1CC[N@H+](C)Cc1ccc(N)cc1 ZINC000049330756 180250260 /nfs/dbraw/zinc/25/02/60/180250260.db2.gz SEOFKDKYICAHFR-UHFFFAOYSA-N 1 1 244.342 1.906 10 10 BDCEMO [NH3+]Cc1ccc(N2CCN(C3CC3)CC2)cc1 ZINC000020266006 132330877 /nfs/dbraw/zinc/33/08/77/132330877.db2.gz UVIAMKRIAWPFFI-UHFFFAOYSA-N 1 1 231.343 1.430 10 10 BDCEMO CC[NH+]1CCN(CCc2ccc(N)cc2)CC1 ZINC000019623917 169990380 /nfs/dbraw/zinc/99/03/80/169990380.db2.gz PDTDDIKOCMLTTA-UHFFFAOYSA-N 1 1 233.359 1.449 10 10 BDCEMO CCNC(=O)C[N@@H+](CC)CCc1ccc(N)cc1 ZINC000042367475 170056883 /nfs/dbraw/zinc/05/68/83/170056883.db2.gz HLSVUIYVGUIUJO-UHFFFAOYSA-N 1 1 249.358 1.269 10 10 BDCEMO CN(c1ccc(N)cc1)[C@H]1CCC[N@@H+](C)C1 ZINC000053205870 173045210 /nfs/dbraw/zinc/04/52/10/173045210.db2.gz YVHPZVYMFDUTAH-ZDUSSCGKSA-N 1 1 219.332 1.799 10 10 BDCEMO C[N@H+](Cc1ccccc1O)C[C@@H]1CC[NH+](C)C1 ZINC000156018114 173113593 /nfs/dbraw/zinc/11/35/93/173113593.db2.gz IODGFIRXTDBSBO-GFCCVEGCSA-N 1 1 234.343 1.776 10 10 BDCEMO CN1CC[C@@H](C[N@H+](C)Cc2ccccc2O)C1 ZINC000156018114 173113598 /nfs/dbraw/zinc/11/35/98/173113598.db2.gz IODGFIRXTDBSBO-GFCCVEGCSA-N 1 1 234.343 1.776 10 10 BDCEMO CN1CC[C@@H](C[N@@H+](C)Cc2ccccc2O)C1 ZINC000156018114 173113600 /nfs/dbraw/zinc/11/36/00/173113600.db2.gz IODGFIRXTDBSBO-GFCCVEGCSA-N 1 1 234.343 1.776 10 10 BDCEMO C[N@H+]1CC[C@H](CNc2ccc(N)cc2)C1 ZINC000037484601 173147733 /nfs/dbraw/zinc/14/77/33/173147733.db2.gz HVENIFXVSXAARK-SNVBAGLBSA-N 1 1 205.305 1.632 10 10 BDCEMO C[N@H+]1Cc2cc(O)c(O)cc2C(C)(C)C1 ZINC000039096593 173200281 /nfs/dbraw/zinc/20/02/81/173200281.db2.gz IUNWFAJFAHSPJJ-UHFFFAOYSA-N 1 1 207.273 1.821 10 10 BDCEMO C[C@@H]1C[N@@H+](CCc2ccc(N)cc2)[C@H](C)CO1 ZINC000035782483 176294836 /nfs/dbraw/zinc/29/48/36/176294836.db2.gz DLSGHUXQEKEXIJ-VXGBXAGGSA-N 1 1 234.343 1.921 10 10 BDCEMO C[C@H]1COCC[N@H+]1Cc1cc(N)ccc1O ZINC000035773424 177291814 /nfs/dbraw/zinc/29/18/14/177291814.db2.gz LVUGHOBOAQOANU-VIFPVBQESA-N 1 1 222.288 1.195 10 10 BDCEMO COc1cc2c(c(O)c1OC)[C@@H](C)[N@@H+](C)CC2 ZINC000002019946 560185793 /nfs/dbraw/zinc/18/57/93/560185793.db2.gz NKHMWHLJHODBEP-MRVPVSSYSA-N 1 1 237.299 1.958 10 10 in-vitro BDCEMO NC[C@H]1CCCC[N@@H+]1Cc1ccccc1O ZINC000044540101 641604423 /nfs/dbraw/zinc/60/44/23/641604423.db2.gz ZUYDHJXXMPYPMP-GFCCVEGCSA-N 1 1 220.316 1.705 10 10 BDCEMO NC[C@H]1CCCC[N@H+]1Cc1ccccc1O ZINC000044540101 641604427 /nfs/dbraw/zinc/60/44/27/641604427.db2.gz ZUYDHJXXMPYPMP-GFCCVEGCSA-N 1 1 220.316 1.705 10 10 BDCEMO Oc1c(F)cccc1C[NH2+]C1CSC1 ZINC000706489691 712147425 /nfs/dbraw/zinc/14/74/25/712147425.db2.gz UDLOZBQKGVBJTB-UHFFFAOYSA-N 1 1 213.277 1.736 10 10 BDCEMO Oc1c(F)cccc1C[NH2+]CC[C@H](O)C(F)F ZINC000716731290 712571364 /nfs/dbraw/zinc/57/13/64/712571364.db2.gz JRDPZGWIACIIBO-VIFPVBQESA-N 1 1 249.232 1.637 10 10 BDCEMO COC[C@@](C)(CO)[NH2+]Cc1cccc(F)c1O ZINC000716809459 712575702 /nfs/dbraw/zinc/57/57/02/712575702.db2.gz FOCNESZRWUYJSV-GFCCVEGCSA-N 1 1 243.278 1.018 10 10 BDCEMO CN(C)[C@H]1CC[N@H+](Cc2ccc(N)cc2)C1 ZINC000062963756 349502965 /nfs/dbraw/zinc/50/29/65/349502965.db2.gz FPWLHUAFLNFANI-ZDUSSCGKSA-N 1 1 219.332 1.405 10 10 BDCEMO CN(C)[C@H]1CC[N@@H+](Cc2ccc(N)cc2)C1 ZINC000062963756 349502968 /nfs/dbraw/zinc/50/29/68/349502968.db2.gz FPWLHUAFLNFANI-ZDUSSCGKSA-N 1 1 219.332 1.405 10 10 BDCEMO Cc1cc(Cl)c(O)c([C@H]([NH3+])CN)c1 ZINC000072200571 178060772 /nfs/dbraw/zinc/06/07/72/178060772.db2.gz JCDPFZODOFOTKX-MRVPVSSYSA-N 1 1 200.669 1.313 10 10 BDCEMO Nc1ccc(C[N@H+]2CCCC[C@H]2CO)cc1 ZINC000048856924 343065091 /nfs/dbraw/zinc/06/50/91/343065091.db2.gz VJDUIUGTRLYBLV-ZDUSSCGKSA-N 1 1 220.316 1.616 10 10 BDCEMO CCN(CC)c1ccc([C@@H]([NH3+])CN)cc1 ZINC000072200706 343069535 /nfs/dbraw/zinc/06/95/35/343069535.db2.gz VPHDGNGIKRYQGA-LBPRGKRZSA-N 1 1 207.321 1.491 10 10 BDCEMO CN(c1ccc(N)cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC000053205871 188300098 /nfs/dbraw/zinc/30/00/98/188300098.db2.gz YVHPZVYMFDUTAH-CYBMUJFWSA-N 1 1 219.332 1.799 10 10 BDCEMO COc1ccc([C@H](C)[NH+]2CCOCC2)c(O)c1 ZINC000131863765 371699734 /nfs/dbraw/zinc/69/97/34/371699734.db2.gz JVHVPJOWCVOZML-JTQLQIEISA-N 1 1 237.299 1.794 10 10 BDCEMO NC[C@@H]([NH3+])c1ccc(N2CCCC2)cc1 ZINC000044469338 384733281 /nfs/dbraw/zinc/73/32/81/384733281.db2.gz FFRGKQMGQILGED-GFCCVEGCSA-N 1 1 205.305 1.245 10 10 BDCEMO C[C@@H](CCCO)[NH2+]Cc1cccc(F)c1O ZINC000165172762 385077951 /nfs/dbraw/zinc/07/79/51/385077951.db2.gz SUXVONNJNDDPDJ-VIFPVBQESA-N 1 1 227.279 1.782 10 10 BDCEMO COC[C@H](CCO)[NH2+]Cc1cccc(F)c1O ZINC000226610333 386343593 /nfs/dbraw/zinc/34/35/93/386343593.db2.gz XTXGVJAOQLTIBN-JTQLQIEISA-N 1 1 243.278 1.018 10 10 BDCEMO CN(C)C(=O)C1CC[NH+](c2ccc(N)cc2)CC1 ZINC000032103001 132335321 /nfs/dbraw/zinc/33/53/21/132335321.db2.gz PEBGJRRIYGSNNQ-UHFFFAOYSA-N 1 1 247.342 1.573 10 10 BDCEMO C[N@H+]1CCCN(C(=O)Nc2ccc(N)cc2)CC1 ZINC000035407978 173011877 /nfs/dbraw/zinc/01/18/77/173011877.db2.gz DGCKRJWQQIDHLC-UHFFFAOYSA-N 1 1 248.330 1.438 10 10 BDCEMO COC(C[NH2+]Cc1cccc(F)c1O)OC ZINC000083356609 173963210 /nfs/dbraw/zinc/96/32/10/173963210.db2.gz JSNFTOOBLJRFPR-UHFFFAOYSA-N 1 1 229.251 1.240 10 10 BDCEMO C[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc(N)cc1 ZINC000037909807 176108019 /nfs/dbraw/zinc/10/80/19/176108019.db2.gz KKZAGDZBUOXMAS-SNVBAGLBSA-N 1 1 233.315 1.692 10 10 BDCEMO C[C@@H]1C[N@@H+](Cc2cc(N)ccc2O)CCO1 ZINC000037272210 176301463 /nfs/dbraw/zinc/30/14/63/176301463.db2.gz WNMGDILQWAGVSR-SECBINFHSA-N 1 1 222.288 1.195 10 10 BDCEMO C[C@H]1CCC[N@H+]1CC(=O)N(C)c1ccc(N)cc1 ZINC000037909982 177108678 /nfs/dbraw/zinc/10/86/78/177108678.db2.gz CNNIIYBQVBDNMD-NSHDSACASA-N 1 1 247.342 1.716 10 10 BDCEMO CN1CC[C@@H]([NH2+]Cc2cccc(F)c2O)C1 ZINC000165156333 640540770 /nfs/dbraw/zinc/54/07/70/640540770.db2.gz ICLQQMFZUFYXBW-SNVBAGLBSA-N 1 1 224.279 1.325 10 10 BDCEMO Oc1c(F)cccc1C[NH2+]C[C@H]1C[C@H](O)C1 ZINC000720891843 712874442 /nfs/dbraw/zinc/87/44/42/712874442.db2.gz APKKSHNUMYGVLS-CZMCAQCFSA-N 1 1 225.263 1.392 10 10 BDCEMO CN(C)[C@@H]1CC[N@H+](Cc2ccc(N)cc2)C1 ZINC000062963755 349503519 /nfs/dbraw/zinc/50/35/19/349503519.db2.gz FPWLHUAFLNFANI-CYBMUJFWSA-N 1 1 219.332 1.405 10 10 BDCEMO CN(C)[C@@H]1CC[N@@H+](Cc2ccc(N)cc2)C1 ZINC000062963755 349503521 /nfs/dbraw/zinc/50/35/21/349503521.db2.gz FPWLHUAFLNFANI-CYBMUJFWSA-N 1 1 219.332 1.405 10 10 BDCEMO CN(C)[C@@H]1CC[N@@H+](Cc2ccccc2O)C1 ZINC000132723897 398341239 /nfs/dbraw/zinc/34/12/39/398341239.db2.gz VDHQAEIAGURHGF-GFCCVEGCSA-N 1 1 220.316 1.528 10 10 BDCEMO C[NH+](C)[C@@H]1CCN(Cc2ccccc2O)C1 ZINC000132723897 398341240 /nfs/dbraw/zinc/34/12/40/398341240.db2.gz VDHQAEIAGURHGF-GFCCVEGCSA-N 1 1 220.316 1.528 10 10 BDCEMO C[C@@H]1c2c(O)c(O)ccc2[C@@H](O)C[N@@H+]1C ZINC000039096819 343382463 /nfs/dbraw/zinc/38/24/63/343382463.db2.gz FFPOPDFIKAHFHN-MUWHJKNJSA-N 1 1 209.245 1.138 10 10 BDCEMO CC[C@H](CO)[NH2+]Cc1cccc(F)c1O ZINC000083347403 384299415 /nfs/dbraw/zinc/29/94/15/384299415.db2.gz ZIBJVNZXWUCVSH-SECBINFHSA-N 1 1 213.252 1.392 10 10 BDCEMO C[C@@]1([NH2+]Cc2cccc(F)c2O)CCOC1 ZINC000163179461 384760276 /nfs/dbraw/zinc/76/02/76/384760276.db2.gz DFPKHJVCAKFULT-GFCCVEGCSA-N 1 1 225.263 1.800 10 10 BDCEMO C[C@H](C[NH2+]Cc1cccc(F)c1O)N(C)C ZINC000165155074 385075018 /nfs/dbraw/zinc/07/50/18/385075018.db2.gz PYTYNNJUKYMFAV-SECBINFHSA-N 1 1 226.295 1.571 10 10 BDCEMO COc1ccc(N2CC[NH+](C[C@@H]3CO3)CC2)cc1 ZINC000019389918 132324544 /nfs/dbraw/zinc/32/45/44/132324544.db2.gz PEFZLLLLBQLROG-CQSZACIVSA-N 1 1 248.326 1.216 10 10 BDCEMO Cc1cc(C[NH3+])ccc1N1CCN(C)CC1 ZINC000037733130 132345282 /nfs/dbraw/zinc/34/52/82/132345282.db2.gz APRRAKPVOROBLU-UHFFFAOYSA-N 1 1 219.332 1.206 10 10 BDCEMO C[N@@H+]1CC[C@H](CNCc2ccc3c(c2)CCO3)C1 ZINC000037647062 173147658 /nfs/dbraw/zinc/14/76/58/173147658.db2.gz GHPQPMPQPOOPGD-CYBMUJFWSA-N 1 1 246.354 1.663 10 10 BDCEMO C[N@H+]1CC[C@H](CNCc2ccc3c(c2)CCO3)C1 ZINC000037647062 173147660 /nfs/dbraw/zinc/14/76/60/173147660.db2.gz GHPQPMPQPOOPGD-CYBMUJFWSA-N 1 1 246.354 1.663 10 10 BDCEMO C[C@@H]1C[N@@H+](Cc2ccccc2O)C[C@@H]1N(C)C ZINC000131463097 176307525 /nfs/dbraw/zinc/30/75/25/176307525.db2.gz HZCUALLXAQWEGJ-YPMHNXCESA-N 1 1 234.343 1.774 10 10 BDCEMO C[C@@H]1CN(Cc2ccccc2O)C[C@@H]1[NH+](C)C ZINC000131463097 176307526 /nfs/dbraw/zinc/30/75/26/176307526.db2.gz HZCUALLXAQWEGJ-YPMHNXCESA-N 1 1 234.343 1.774 10 10 BDCEMO C[C@H]1C[N@@H+](CCc2ccc(N)cc2)CCO1 ZINC000020072083 177254278 /nfs/dbraw/zinc/25/42/78/177254278.db2.gz AMZMWUCLBQAXSV-NSHDSACASA-N 1 1 220.316 1.532 10 10 BDCEMO CC[C@@H](CCO)[NH2+]Cc1cccc(F)c1O ZINC000163176285 636134056 /nfs/dbraw/zinc/13/40/56/636134056.db2.gz XQLMSSWCIGBTMP-JTQLQIEISA-N 1 1 227.279 1.782 10 10 BDCEMO CN1CC[C@H]([NH2+]Cc2cccc(F)c2O)C1 ZINC000165156201 640541265 /nfs/dbraw/zinc/54/12/65/640541265.db2.gz ICLQQMFZUFYXBW-JTQLQIEISA-N 1 1 224.279 1.325 10 10 BDCEMO Oc1c(F)cccc1C[NH2+][C@@H]1CCC[C@H](O)C1 ZINC000158717367 641646602 /nfs/dbraw/zinc/64/66/02/641646602.db2.gz UCISUGKWRVYICT-MNOVXSKESA-N 1 1 239.290 1.924 10 10 BDCEMO Oc1c(F)cccc1C[NH2+]CC1CSC1 ZINC000700434496 711993951 /nfs/dbraw/zinc/99/39/51/711993951.db2.gz OXHLHSKQHACHRE-UHFFFAOYSA-N 1 1 227.304 1.984 10 10 BDCEMO C[C@@H](O)[C@H]1CCC[N@H+]1Cc1ccc(N)cc1 ZINC000146681750 343305163 /nfs/dbraw/zinc/30/51/63/343305163.db2.gz IZPOHWUZLKPKQN-ZWNOBZJWSA-N 1 1 220.316 1.614 10 10 BDCEMO NC(=O)[C@H]1CCCC[N@H+]1CCc1ccc(N)cc1 ZINC000042403975 181279751 /nfs/dbraw/zinc/27/97/51/181279751.db2.gz QIFASYCZUXTBCX-CYBMUJFWSA-N 1 1 247.342 1.151 10 10 BDCEMO COC[C@@H](C)C[NH2+]Cc1cccc(F)c1O ZINC000165159476 385078287 /nfs/dbraw/zinc/07/82/87/385078287.db2.gz CHXWMJRRKYHBRQ-VIFPVBQESA-N 1 1 227.279 1.903 10 10 BDCEMO [NH3+]CCC[C@H]([NH3+])c1cc(Cl)ccc1[O-] ZINC000575439152 387121833 /nfs/dbraw/zinc/12/18/33/387121833.db2.gz POZQHMLUMFWCMH-VIFPVBQESA-N 1 1 214.696 1.784 10 10 BDCEMO CCOCC[NH2+]Cc1cccc(F)c1O ZINC000165151460 388251137 /nfs/dbraw/zinc/25/11/37/388251137.db2.gz BUIAJCYDOOQYMX-UHFFFAOYSA-N 1 1 213.252 1.657 10 10 BDCEMO CCc1nc([C@H]([NH3+])c2ccc(N(C)C)cc2)no1 ZINC000036762638 172006933 /nfs/dbraw/zinc/00/69/33/172006933.db2.gz FBUWWZDJKNCJLW-GFCCVEGCSA-N 1 1 246.314 1.746 10 10 BDCEMO C[NH+](C)C(C)(C)CNCc1ccc(O)c(O)c1 ZINC000020125717 172395645 /nfs/dbraw/zinc/39/56/45/172395645.db2.gz KFEXOTNNYXBCFC-UHFFFAOYSA-N 1 1 238.331 1.528 10 10 BDCEMO C[N@H+]1CCC[C@@H](Nc2ccc(N)cc2)C1 ZINC000040715743 173021392 /nfs/dbraw/zinc/02/13/92/173021392.db2.gz RHZVVDLPNCXGNI-GFCCVEGCSA-N 1 1 205.305 1.775 10 10 BDCEMO C[N@H+]1CCC[C@H](Nc2ccc(N)cc2)C1 ZINC000040715742 173046853 /nfs/dbraw/zinc/04/68/53/173046853.db2.gz RHZVVDLPNCXGNI-LBPRGKRZSA-N 1 1 205.305 1.775 10 10 BDCEMO CN1CCN(c2ccc(C[NH3+])c(Cl)c2)CC1 ZINC000061845492 173095778 /nfs/dbraw/zinc/09/57/78/173095778.db2.gz DYVGWYOMMHVMSK-UHFFFAOYSA-N 1 1 239.750 1.551 10 10 BDCEMO C[C@@H]1C[N@@H+](CCc2ccc(N)cc2)CCN1C ZINC000104129522 176294635 /nfs/dbraw/zinc/29/46/35/176294635.db2.gz YBWFYPJKBRYWSN-GFCCVEGCSA-N 1 1 233.359 1.447 10 10 BDCEMO C[C@@H]1CN(CCc2ccc(N)cc2)CC[N@@H+]1C ZINC000104129522 176294638 /nfs/dbraw/zinc/29/46/38/176294638.db2.gz YBWFYPJKBRYWSN-GFCCVEGCSA-N 1 1 233.359 1.447 10 10 BDCEMO C[C@@H]1CN(CCc2ccc(N)cc2)CC[N@H+]1C ZINC000104129522 176294640 /nfs/dbraw/zinc/29/46/40/176294640.db2.gz YBWFYPJKBRYWSN-GFCCVEGCSA-N 1 1 233.359 1.447 10 10 BDCEMO C[C@@H]1COCC[N@H+]1Cc1cc(N)ccc1O ZINC000035773423 176337801 /nfs/dbraw/zinc/33/78/01/176337801.db2.gz LVUGHOBOAQOANU-SECBINFHSA-N 1 1 222.288 1.195 10 10 BDCEMO CN[C@@H](C[NH3+])c1ccc2c(c1)CCCN2C ZINC000050287354 536354859 /nfs/dbraw/zinc/35/48/59/536354859.db2.gz SHKULACKCZCQNI-LBPRGKRZSA-N 1 1 219.332 1.288 10 10 BDCEMO OC[C@H]([NH2+]Cc1cccc(F)c1O)C1CC1 ZINC000309570509 711646457 /nfs/dbraw/zinc/64/64/57/711646457.db2.gz MQCQZDVZTIFXSM-NSHDSACASA-N 1 1 225.263 1.392 10 10 BDCEMO Oc1c(F)cccc1C[NH2+][C@@H]1CC12CC(O)C2 ZINC000724985995 710752972 /nfs/dbraw/zinc/75/29/72/710752972.db2.gz MHTKOHGKSWMZCM-DMLGSKKGSA-N 1 1 237.274 1.534 10 10 BDCEMO Cc1cc(Cl)c(O)c([C@@H]([NH3+])CO)c1 ZINC000072197906 178060556 /nfs/dbraw/zinc/06/05/56/178060556.db2.gz QZZOFFSACRWEPA-QMMMGPOBSA-N 1 1 201.653 1.346 10 10 BDCEMO [NH3+]CC[C@@H]([NH3+])c1cc(Br)ccc1[O-] ZINC000306787321 351036202 /nfs/dbraw/zinc/03/62/02/351036202.db2.gz VTWTUIAPGOORLU-MRVPVSSYSA-N 1 1 245.120 1.503 10 10 BDCEMO CCC[N@H+](CCC(=O)N(C)C)c1ccc(N)cc1 ZINC000063115603 169138498 /nfs/dbraw/zinc/13/84/98/169138498.db2.gz ZZZQUIAJVLHTRZ-UHFFFAOYSA-N 1 1 249.358 1.964 10 10 BDCEMO CCC[N@@H+](CCC(=O)N(C)C)c1ccc(N)cc1 ZINC000063115603 169138499 /nfs/dbraw/zinc/13/84/99/169138499.db2.gz ZZZQUIAJVLHTRZ-UHFFFAOYSA-N 1 1 249.358 1.964 10 10 BDCEMO CN1CCC[N@@H+](Cc2cc(N)ccc2O)CC1 ZINC000037272955 173016336 /nfs/dbraw/zinc/01/63/36/173016336.db2.gz SXFDWPSUFMHWKA-UHFFFAOYSA-N 1 1 235.331 1.112 10 10 BDCEMO C[N@@H+]1CCCN(Cc2cc(N)ccc2O)CC1 ZINC000037272955 173016341 /nfs/dbraw/zinc/01/63/41/173016341.db2.gz SXFDWPSUFMHWKA-UHFFFAOYSA-N 1 1 235.331 1.112 10 10 BDCEMO C[N@H+]1CCCN(Cc2cc(N)ccc2O)CC1 ZINC000037272955 173016344 /nfs/dbraw/zinc/01/63/44/173016344.db2.gz SXFDWPSUFMHWKA-UHFFFAOYSA-N 1 1 235.331 1.112 10 10 BDCEMO C[N@H+]1CCC[C@H](Nc2ccccc2N)C1 ZINC000040715822 173046997 /nfs/dbraw/zinc/04/69/97/173046997.db2.gz OCKPUUFDVJJXFS-JTQLQIEISA-N 1 1 205.305 1.775 10 10 BDCEMO C[NH2+]Cc1ccc(OC)c(CN(C)C)c1 ZINC000016942024 173388690 /nfs/dbraw/zinc/38/86/90/173388690.db2.gz BQNLKUFSWLZTOJ-UHFFFAOYSA-N 1 1 208.305 1.476 10 10 BDCEMO C[C@@H]([NH2+]CC1CC(O)C1)c1ccc(F)cc1O ZINC000091525760 322931463 /nfs/dbraw/zinc/93/14/63/322931463.db2.gz LHYPEMZTFMPBCY-FKTRJACZSA-N 1 1 239.290 1.953 10 10 BDCEMO C[C@@H](O)[C@@H](C)[NH2+]Cc1cccc(F)c1O ZINC000309065381 631830143 /nfs/dbraw/zinc/83/01/43/631830143.db2.gz YZNANXCMSOSYDB-HTQZYQBOSA-N 1 1 213.252 1.390 10 10 BDCEMO c1cc2c(cc1CNC[C@@H]1CC[NH2+]C1)CCCO2 ZINC000258854378 635213640 /nfs/dbraw/zinc/21/36/40/635213640.db2.gz ICDMQWILDVFDPL-CYBMUJFWSA-N 1 1 246.354 1.711 10 10 BDCEMO CO[C@H]1C[C@H]([NH2+]Cc2cccc(F)c2O)C1 ZINC000706498295 712147207 /nfs/dbraw/zinc/14/72/07/712147207.db2.gz LMNAKAWQJQQSAO-MGCOHNPYSA-N 1 1 225.263 1.798 10 10 BDCEMO Cc1[nH+]ccn1[C@@H](C)C(=O)Nc1ccc(N)cc1 ZINC000022220333 180271664 /nfs/dbraw/zinc/27/16/64/180271664.db2.gz URUCIXLQKIUBHS-VIFPVBQESA-N 1 1 244.298 1.973 10 10 BDCEMO CCC[N@@H+](CC)CC(=O)N(C)c1ccc(N)cc1 ZINC000037273274 169120734 /nfs/dbraw/zinc/12/07/34/169120734.db2.gz ZMLKCCUOMZPKHR-UHFFFAOYSA-N 1 1 249.358 1.964 10 10 BDCEMO NC[C@H]([NH3+])c1ccc(N2CCCC2)cc1 ZINC000044469341 384734962 /nfs/dbraw/zinc/73/49/62/384734962.db2.gz FFRGKQMGQILGED-LBPRGKRZSA-N 1 1 205.305 1.245 10 10 BDCEMO C[N@H+]1CCN(c2ccc(N)cc2)CC1(C)C ZINC000035064840 132337558 /nfs/dbraw/zinc/33/75/58/132337558.db2.gz PUXMXWUZKNBENK-UHFFFAOYSA-N 1 1 219.332 1.799 10 10 BDCEMO CN1CCc2cc([C@H](CN)[NH2+]C3CC3)ccc21 ZINC000050287382 173172758 /nfs/dbraw/zinc/17/27/58/173172758.db2.gz JUVAURIGCDKZJD-ZDUSSCGKSA-N 1 1 231.343 1.431 10 10 BDCEMO COCC[N@@H+](Cc1cc(N)ccc1O)C1CC1 ZINC000042517312 174299444 /nfs/dbraw/zinc/29/94/44/174299444.db2.gz ISHJWAHMWCPGJQ-UHFFFAOYSA-N 1 1 236.315 1.585 10 10 BDCEMO C[C@H]1CC[N@@H+](Cc2cc(N)ccc2O)C1 ZINC000040716957 177163809 /nfs/dbraw/zinc/16/38/09/177163809.db2.gz YHLKZRWUDDBBDK-VIFPVBQESA-N 1 1 206.289 1.816 10 10 BDCEMO CN1CC[C@@H]1C[NH2+]Cc1cccc(F)c1O ZINC000712559682 712445765 /nfs/dbraw/zinc/44/57/65/712445765.db2.gz VTISNKIHUOTIKM-SNVBAGLBSA-N 1 1 224.279 1.325 10 10 BDCEMO CC1(CO)CC[NH+](c2ccc(N)cc2)CC1 ZINC000403075512 343811393 /nfs/dbraw/zinc/81/13/93/343811393.db2.gz YLOYFGOGMPCHMC-UHFFFAOYSA-N 1 1 220.316 1.868 10 10 BDCEMO Nc1ccc([NH+]2CCC3(COC3)CC2)cc1 ZINC000224830475 350342103 /nfs/dbraw/zinc/34/21/03/350342103.db2.gz SAQSBWIJIGOQMT-UHFFFAOYSA-N 1 1 218.300 1.886 10 10 BDCEMO Nc1ccc(NCCC[NH+]2CCOCC2)cc1 ZINC000037393557 363967926 /nfs/dbraw/zinc/96/79/26/363967926.db2.gz SSGNTACICQYKFJ-UHFFFAOYSA-N 1 1 235.331 1.403 10 10 BDCEMO COc1ccc([C@@H](C)[NH+]2CCOCC2)c(O)c1 ZINC000131863964 371700715 /nfs/dbraw/zinc/70/07/15/371700715.db2.gz JVHVPJOWCVOZML-SNVBAGLBSA-N 1 1 237.299 1.794 10 10 BDCEMO Oc1ccc(C[NH2+]Cc2ccccn2)cc1O ZINC000019957091 183270998 /nfs/dbraw/zinc/27/09/98/183270998.db2.gz PNVBYXGIZQCTRS-UHFFFAOYSA-N 1 1 230.267 1.783 10 10 BDCEMO Oc1c(F)cccc1C[NH2+]C[C@@H]1CCC[C@@H]1O ZINC000158797944 183255583 /nfs/dbraw/zinc/25/55/83/183255583.db2.gz ZDVNVELXJDGRDB-CABZTGNLSA-N 1 1 239.290 1.782 10 10 BDCEMO CCC[N@@H+](Cc1ccc(N)cc1)[C@@H](C)C(N)=O ZINC000035364854 169176192 /nfs/dbraw/zinc/17/61/92/169176192.db2.gz ZLXHFDXLJLQJHK-JTQLQIEISA-N 1 1 235.331 1.355 10 10 BDCEMO CCC[N@@H+](Cc1ccc(N)cc1)[C@H](CC)C(N)=O ZINC000061677743 169176325 /nfs/dbraw/zinc/17/63/25/169176325.db2.gz YSNVERPVFVGWHS-CYBMUJFWSA-N 1 1 249.358 1.745 10 10 BDCEMO COC[C@H](C)C[NH2+]Cc1cccc(F)c1O ZINC000165159592 385078631 /nfs/dbraw/zinc/07/86/31/385078631.db2.gz CHXWMJRRKYHBRQ-SECBINFHSA-N 1 1 227.279 1.903 10 10 BDCEMO C[C@@H]([NH3+])c1ccc(N2CCN(C3CC3)CC2)cc1 ZINC000042490518 132352440 /nfs/dbraw/zinc/35/24/40/132352440.db2.gz FWSJRQBUCGOUKU-GFCCVEGCSA-N 1 1 245.370 1.991 10 10 BDCEMO C[N@@H+]1CC[C@@H](CNCc2ccc3c(c2)CCO3)C1 ZINC000037647063 173116419 /nfs/dbraw/zinc/11/64/19/173116419.db2.gz GHPQPMPQPOOPGD-ZDUSSCGKSA-N 1 1 246.354 1.663 10 10 BDCEMO C[N@H+]1CC[C@@H](CNCc2ccc3c(c2)CCO3)C1 ZINC000037647063 173116421 /nfs/dbraw/zinc/11/64/21/173116421.db2.gz GHPQPMPQPOOPGD-ZDUSSCGKSA-N 1 1 246.354 1.663 10 10 BDCEMO COc1ccc(N(C)Cc2noc(C[NH3+])n2)cc1 ZINC000310591976 632762424 /nfs/dbraw/zinc/76/24/24/632762424.db2.gz KRUBDEJXOHTWSL-UHFFFAOYSA-N 1 1 248.286 1.173 10 10 BDCEMO Oc1c(F)cccc1C[NH2+]CC1(O)CCC1 ZINC000163173625 636129193 /nfs/dbraw/zinc/12/91/93/636129193.db2.gz JDHSKGSBMXXPRL-UHFFFAOYSA-N 1 1 225.263 1.536 10 10 BDCEMO C[C@@H]1[C@H]([NH2+]Cc2cccc(F)c2O)CCN1C ZINC000719617513 712816984 /nfs/dbraw/zinc/81/69/84/712816984.db2.gz ILTLCUYFICJXSX-BXKDBHETSA-N 1 1 238.306 1.714 10 10 BDCEMO Nc1ccc([N@@H+]2CC[C@H]3COC[C@@H]3C2)cc1 ZINC000409432404 343826045 /nfs/dbraw/zinc/82/60/45/343826045.db2.gz VGPWAEKNWKIKCS-QWRGUYRKSA-N 1 1 218.300 1.742 10 10 BDCEMO Nc1ccc([N@H+]2CC[C@H]3COC[C@@H]3C2)cc1 ZINC000409432404 343826046 /nfs/dbraw/zinc/82/60/46/343826046.db2.gz VGPWAEKNWKIKCS-QWRGUYRKSA-N 1 1 218.300 1.742 10 10 BDCEMO CN1CCN(c2ccc3c(c2)C[NH2+]C3)CC1 ZINC000113680917 370452321 /nfs/dbraw/zinc/45/23/21/370452321.db2.gz UIOQJKXXYYCLIA-UHFFFAOYSA-N 1 1 217.316 1.042 10 10 BDCEMO Oc1ccc2ccccc2c1C[NH+]1CCNCC1 ZINC000038086703 183285107 /nfs/dbraw/zinc/28/51/07/183285107.db2.gz FESLTMZRXVQHLG-UHFFFAOYSA-N 1 1 242.322 1.951 10 10 BDCEMO C[C@H](Cn1ccnc1)[NH2+]Cc1cccc(F)c1O ZINC000158716939 384260314 /nfs/dbraw/zinc/26/03/14/384260314.db2.gz YOLXGWKNUZZRMF-SNVBAGLBSA-N 1 1 249.289 1.906 10 10 BDCEMO C[C@H](C[N@@H+](Cc1ccc(N)cc1)C1CC1)C(N)=O ZINC000035081128 176655007 /nfs/dbraw/zinc/65/50/07/176655007.db2.gz CMDJGRRXXOLHRP-SNVBAGLBSA-N 1 1 247.342 1.355 10 10 BDCEMO C[C@H](O)[C@H](C)[NH2+]Cc1cccc(F)c1O ZINC000309065384 631831506 /nfs/dbraw/zinc/83/15/06/631831506.db2.gz YZNANXCMSOSYDB-YUMQZZPRSA-N 1 1 213.252 1.390 10 10 BDCEMO Cc1ccc(O)c(C[N@@H+]2C[C@H](N)[C@@H](C)C2)c1 ZINC000235684669 632813851 /nfs/dbraw/zinc/81/38/51/632813851.db2.gz ZKHSCGZQBRARRE-JQWIXIFHSA-N 1 1 220.316 1.480 10 10 BDCEMO Cc1ccc(O)c(C[N@H+]2C[C@H](N)[C@@H](C)C2)c1 ZINC000235684669 632813853 /nfs/dbraw/zinc/81/38/53/632813853.db2.gz ZKHSCGZQBRARRE-JQWIXIFHSA-N 1 1 220.316 1.480 10 10 BDCEMO Oc1c(F)cccc1C[NH2+]CCOCCF ZINC000702637796 712058005 /nfs/dbraw/zinc/05/80/05/712058005.db2.gz HGVAELACLIPSHF-UHFFFAOYSA-N 1 1 231.242 1.607 10 10 BDCEMO Nc1ccc([N@@H+]2CCC[C@@H](CO)C2)cc1 ZINC000057585339 132366063 /nfs/dbraw/zinc/36/60/63/132366063.db2.gz ZPGVLDQXMSGLHG-SNVBAGLBSA-N 1 1 206.289 1.478 10 10 BDCEMO Nc1ccc([N@H+]2CCC[C@@H](CO)C2)cc1 ZINC000057585339 132366064 /nfs/dbraw/zinc/36/60/64/132366064.db2.gz ZPGVLDQXMSGLHG-SNVBAGLBSA-N 1 1 206.289 1.478 10 10 BDCEMO CC(C)NC(=O)C[NH2+]Cc1cccc(F)c1O ZINC000158692686 167057955 /nfs/dbraw/zinc/05/79/55/167057955.db2.gz BQBNXEVKDGRJGT-UHFFFAOYSA-N 1 1 240.278 1.146 10 10 BDCEMO CC[C@@](C)(CO)[NH2+]Cc1cccc(F)c1O ZINC000165166630 171171566 /nfs/dbraw/zinc/17/15/66/171171566.db2.gz OEXJCYSQCYPZGF-LBPRGKRZSA-N 1 1 227.279 1.782 10 10 BDCEMO CN(C)C(C)(C)C[NH2+]Cc1cccc(F)c1O ZINC000158675366 172395311 /nfs/dbraw/zinc/39/53/11/172395311.db2.gz VENUPWUCFGLEEI-UHFFFAOYSA-N 1 1 240.322 1.961 10 10 BDCEMO CN1CCc2cc([C@@H](CN)[NH+]3CCCC3)ccc21 ZINC000034936240 173171520 /nfs/dbraw/zinc/17/15/20/173171520.db2.gz JBQRHIFZTANXKI-OAHLLOKOSA-N 1 1 245.370 1.775 10 10 BDCEMO C[C@@H]1C[N@H+](Cc2cc(N)ccc2O)C[C@H](C)O1 ZINC000037272115 177260755 /nfs/dbraw/zinc/26/07/55/177260755.db2.gz UEKDYCSYWMCJMV-AOOOYVTPSA-N 1 1 236.315 1.584 10 10 BDCEMO CN(C)c1ccc(C[N@@H+]2CCC[C@H]2CN)cc1 ZINC000131377674 591605327 /nfs/dbraw/zinc/60/53/27/591605327.db2.gz NNMLTIGJXBQIBN-AWEZNQCLSA-N 1 1 233.359 1.676 10 10 BDCEMO CN(C)c1ccc(C[N@H+]2CCC[C@H]2CN)cc1 ZINC000131377674 591605330 /nfs/dbraw/zinc/60/53/30/591605330.db2.gz NNMLTIGJXBQIBN-AWEZNQCLSA-N 1 1 233.359 1.676 10 10 BDCEMO C[C@@H](O)[C@H](C)[NH2+]Cc1cccc(F)c1O ZINC000309065382 631830833 /nfs/dbraw/zinc/83/08/33/631830833.db2.gz YZNANXCMSOSYDB-JGVFFNPUSA-N 1 1 213.252 1.390 10 10 BDCEMO Oc1c(F)cccc1C[NH2+]CCN1CCC1 ZINC000310019383 634077235 /nfs/dbraw/zinc/07/72/35/634077235.db2.gz MJUZOBHSJSYIFO-UHFFFAOYSA-N 1 1 224.279 1.327 10 10 BDCEMO C[C@@H]1C[N@H+](Cc2ccccc2O)C[C@@H]1[NH3+] ZINC000235374764 643384060 /nfs/dbraw/zinc/38/40/60/643384060.db2.gz IEUNBKBFLVZPCK-KOLCDFICSA-N 1 1 206.289 1.171 10 10 BDCEMO C[C@@H]1C[N@@H+](Cc2ccccc2O)C[C@@H]1[NH3+] ZINC000235374764 643384064 /nfs/dbraw/zinc/38/40/64/643384064.db2.gz IEUNBKBFLVZPCK-KOLCDFICSA-N 1 1 206.289 1.171 10 10 BDCEMO C[C@H](CCO)C[NH2+]Cc1cccc(F)c1O ZINC000165170001 191123143 /nfs/dbraw/zinc/12/31/43/191123143.db2.gz DKZUVPONLKMKQG-SECBINFHSA-N 1 1 227.279 1.639 10 10 BDCEMO Nc1ccc(NCC[NH+]2CCOCC2)cc1 ZINC000020383937 371275992 /nfs/dbraw/zinc/27/59/92/371275992.db2.gz MIWXNKDIADESJW-UHFFFAOYSA-N 1 1 221.304 1.013 10 10 BDCEMO Nc1ccc([NH2+]CCCn2cccn2)cc1 ZINC000059541205 372196549 /nfs/dbraw/zinc/19/65/49/372196549.db2.gz HKEHHGNKPUOMCF-UHFFFAOYSA-N 1 1 216.288 1.968 10 10 BDCEMO Cc1cnn(CC[NH2+]Cc2cccc(F)c2O)c1 ZINC000226605959 386345117 /nfs/dbraw/zinc/34/51/17/386345117.db2.gz KTJSCUIEMNKLGW-UHFFFAOYSA-N 1 1 249.289 1.826 10 10 BDCEMO C[N@@H+](Cc1ccc(N)cc1)C1CCOCC1 ZINC000036320285 387483768 /nfs/dbraw/zinc/48/37/68/387483768.db2.gz NRTYCYYXNCUNDT-UHFFFAOYSA-N 1 1 220.316 1.880 10 10 BDCEMO CN1CC[C@H](C[N@H+](C)Cc2ccc(N)cc2)C1 ZINC000109357278 173142792 /nfs/dbraw/zinc/14/27/92/173142792.db2.gz SUYYUPMORWIHTG-ZDUSSCGKSA-N 1 1 233.359 1.652 10 10 BDCEMO CN1CC[C@H](C[N@@H+](C)Cc2ccc(N)cc2)C1 ZINC000109357278 173142793 /nfs/dbraw/zinc/14/27/93/173142793.db2.gz SUYYUPMORWIHTG-ZDUSSCGKSA-N 1 1 233.359 1.652 10 10 BDCEMO CN(Cc1ccc(N)cc1)C[C@H]1CC[N@H+](C)C1 ZINC000109357278 173142794 /nfs/dbraw/zinc/14/27/94/173142794.db2.gz SUYYUPMORWIHTG-ZDUSSCGKSA-N 1 1 233.359 1.652 10 10 BDCEMO CN(Cc1ccc(N)cc1)C[C@H]1CC[N@@H+](C)C1 ZINC000109357278 173142796 /nfs/dbraw/zinc/14/27/96/173142796.db2.gz SUYYUPMORWIHTG-ZDUSSCGKSA-N 1 1 233.359 1.652 10 10 BDCEMO CN1CCc2cc([C@@H](CN)[NH2+]C3CC3)ccc21 ZINC000050287380 173171870 /nfs/dbraw/zinc/17/18/70/173171870.db2.gz JUVAURIGCDKZJD-CYBMUJFWSA-N 1 1 231.343 1.431 10 10 BDCEMO C[C@@H]1COC[C@H](C)[N@@H+]1Cc1ccc(N)cc1 ZINC000091301838 177298724 /nfs/dbraw/zinc/29/87/24/177298724.db2.gz HENXFLISWTXENK-PHIMTYICSA-N 1 1 220.316 1.878 10 10 BDCEMO CNC(=O)C[C@H](C)[NH2+]Cc1cccc(F)c1O ZINC000322748248 636878647 /nfs/dbraw/zinc/87/86/47/636878647.db2.gz CXUYZYXJCYDGLG-QMMMGPOBSA-N 1 1 240.278 1.146 10 10 BDCEMO Oc1c(F)cccc1C[NH2+][C@H]1CCC[C@@H](O)C1 ZINC000158717780 641645681 /nfs/dbraw/zinc/64/56/81/641645681.db2.gz UCISUGKWRVYICT-WDEREUQCSA-N 1 1 239.290 1.924 10 10 BDCEMO OC[C@H](CC(F)F)[NH2+]Cc1cccc(F)c1O ZINC000717712918 712666623 /nfs/dbraw/zinc/66/66/23/712666623.db2.gz LBLSDZPVLCKNAS-QMMMGPOBSA-N 1 1 249.232 1.637 10 10 BDCEMO [NH3+]CC[C@H]([NH3+])c1cc(Br)ccc1[O-] ZINC000306787322 351036181 /nfs/dbraw/zinc/03/61/81/351036181.db2.gz VTWTUIAPGOORLU-QMMMGPOBSA-N 1 1 245.120 1.503 10 10 BDCEMO [NH3+]CC[C@@H]([NH3+])c1ccc(Br)cc1[O-] ZINC000306872338 351268060 /nfs/dbraw/zinc/26/80/60/351268060.db2.gz UWQDANSATBPWSI-MRVPVSSYSA-N 1 1 245.120 1.503 10 10 BDCEMO [NH3+]CC[NH2+]Cc1cccc(Br)c1[O-] ZINC000048797181 181396205 /nfs/dbraw/zinc/39/62/05/181396205.db2.gz RZKGOLLWAUYUIY-UHFFFAOYSA-N 1 1 245.120 1.203 10 10 BDCEMO CC(C)(CO)[NH2+]Cc1cccc(F)c1O ZINC000083347407 384297220 /nfs/dbraw/zinc/29/72/20/384297220.db2.gz OAUKLVFRECETPP-UHFFFAOYSA-N 1 1 213.252 1.392 10 10 BDCEMO CN[C@H](C[NH3+])c1ccc2c(c1)CCCN2C ZINC000050287356 132358941 /nfs/dbraw/zinc/35/89/41/132358941.db2.gz SHKULACKCZCQNI-GFCCVEGCSA-N 1 1 219.332 1.288 10 10 BDCEMO CC[N@H+]1CC[C@@H](Oc2ccc(N)cc2)C1 ZINC000039101090 170014484 /nfs/dbraw/zinc/01/44/84/170014484.db2.gz XWRKRSUTFXAMKT-GFCCVEGCSA-N 1 1 206.289 1.742 10 10 BDCEMO CCNC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(N)cc1 ZINC000035360541 170086421 /nfs/dbraw/zinc/08/64/21/170086421.db2.gz ZDMHGROKJZFSSW-SNVBAGLBSA-N 1 1 235.331 1.225 10 10 BDCEMO CN1CC[N@@H+](CCc2ccc(N)cc2)CC1(C)C ZINC000104135818 173081861 /nfs/dbraw/zinc/08/18/61/173081861.db2.gz STIVTUGCJNLYPC-UHFFFAOYSA-N 1 1 247.386 1.837 10 10 BDCEMO C[N@@H+]1CCN(CCc2ccc(N)cc2)CC1(C)C ZINC000104135818 173081863 /nfs/dbraw/zinc/08/18/63/173081863.db2.gz STIVTUGCJNLYPC-UHFFFAOYSA-N 1 1 247.386 1.837 10 10 BDCEMO C[N@H+]1CCN(CCc2ccc(N)cc2)CC1(C)C ZINC000104135818 173081865 /nfs/dbraw/zinc/08/18/65/173081865.db2.gz STIVTUGCJNLYPC-UHFFFAOYSA-N 1 1 247.386 1.837 10 10 BDCEMO C[C@@H]1C[N@@H+](Cc2cc(N)ccc2O)[C@H](C)CO1 ZINC000035782543 176301016 /nfs/dbraw/zinc/30/10/16/176301016.db2.gz NQKBMSMKAQIKNQ-NXEZZACHSA-N 1 1 236.315 1.584 10 10 BDCEMO OC[C@@H]1C[C@H]1[NH2+]Cc1cccc(F)c1O ZINC000308907177 632392387 /nfs/dbraw/zinc/39/23/87/632392387.db2.gz DXLKVJYVBDFKIH-WCBMZHEXSA-N 1 1 211.236 1.002 10 10 BDCEMO