smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(C[N@H+]2CCC[C@H](O)C2)ccc1Cl ZINC000038539670 177993895 /nfs/dbraw/zinc/99/38/95/177993895.db2.gz KPCGNKICSKGVNO-LBPRGKRZSA-N 1 1 239.746 2.605 40 0 BFABMO Cc1cc(NCC[NH3+])c2cc(Cl)ccc2n1 ZINC000202122435 178161165 /nfs/dbraw/zinc/16/11/65/178161165.db2.gz BRZWAYSZTFOYHZ-UHFFFAOYSA-N 1 1 235.718 2.567 40 0 BFABMO Cc1cc(NCC[NH3+])c2cc(Cl)cc(C)c2n1 ZINC000222688432 178162237 /nfs/dbraw/zinc/16/22/37/178162237.db2.gz SRQNPDGABPYQGQ-UHFFFAOYSA-N 1 1 249.745 2.876 40 0 BFABMO Cc1cc(Nc2ccc(C)c(C)c2)nc(N)[nH+]1 ZINC000001681556 178191538 /nfs/dbraw/zinc/19/15/38/178191538.db2.gz AZUJLCPVNZANMR-UHFFFAOYSA-N 1 1 228.299 2.728 40 0 BFABMO Cc1cc(=O)cc([C@H]2CCC[N@@H+]2C(C)C)[nH]1 ZINC000072348463 178199070 /nfs/dbraw/zinc/19/90/70/178199070.db2.gz ZUPSZNYRCMPOFG-CYBMUJFWSA-N 1 1 220.316 2.641 40 0 BFABMO CC[N@H+]1CCCC[C@H]1c1cnc(N)c(C)c1 ZINC000072218457 259317868 /nfs/dbraw/zinc/31/78/68/259317868.db2.gz IDKDRDRGFZTVGQ-LBPRGKRZSA-N 1 1 219.332 2.519 40 0 BFABMO CCC[N@H+]1CCC[C@@H]1c1cnc(NC)c(C)c1 ZINC000072218981 259318262 /nfs/dbraw/zinc/31/82/62/259318262.db2.gz KOVRZJRBSSAJDY-CYBMUJFWSA-N 1 1 233.359 2.979 40 0 BFABMO Cc1cc([C@H]2CCCC[N@@H+]2C(C)C)cnc1N ZINC000072218461 259318354 /nfs/dbraw/zinc/31/83/54/259318354.db2.gz HXEGXQNCRROQMK-CYBMUJFWSA-N 1 1 233.359 2.908 40 0 BFABMO CCCNc1cc(C)c([C@@H](O)CC)c[nH+]1 ZINC000072223210 259320974 /nfs/dbraw/zinc/32/09/74/259320974.db2.gz DCSOBPLFTFJKCV-NSHDSACASA-N 1 1 208.305 2.655 40 0 BFABMO Cc1[nH+]c(NC(C)(C)C)ccc1[C@@H](C)O ZINC000072225012 259322062 /nfs/dbraw/zinc/32/20/62/259322062.db2.gz IKGBIXPLBDOJTI-SECBINFHSA-N 1 1 208.305 2.654 40 0 BFABMO COc1ccc([C@H]([NH3+])c2nc(C)cs2)cc1 ZINC000058432142 398324306 /nfs/dbraw/zinc/32/43/06/398324306.db2.gz NOQPOKVPBCXHKJ-NSHDSACASA-N 1 1 234.324 2.508 40 0 BFABMO CCOc1ccc(Nc2cc(C)[nH+]c(N)n2)cc1 ZINC000032908912 343244216 /nfs/dbraw/zinc/24/42/16/343244216.db2.gz GFLJDIAZWUNIMV-UHFFFAOYSA-N 1 1 244.298 2.510 40 0 BFABMO CC[N@@H+]1CC=C(c2nc3ccccc3[nH]2)CC1 ZINC000073636026 343357547 /nfs/dbraw/zinc/35/75/47/343357547.db2.gz XDTVADSMQXPUNU-UHFFFAOYSA-N 1 1 227.311 2.672 40 0 BFABMO C(CC1CCCCC1)C[N@H+]1CCC[NH2+]CC1 ZINC000096523657 187288504 /nfs/dbraw/zinc/28/85/04/187288504.db2.gz PPENNRAGHQEHBP-UHFFFAOYSA-N 1 1 224.392 2.642 40 0 BFABMO CCCC[N@H+]1CCC[C@@H]1c1c[nH]c(=O)c(C)c1 ZINC000072217963 344513929 /nfs/dbraw/zinc/51/39/29/344513929.db2.gz VNBLRVJJARNRJA-CYBMUJFWSA-N 1 1 234.343 2.620 40 0 BFABMO Cc1cc([C@H]2CCCC[N@@H+]2CC(C)C)c[nH]c1=O ZINC000072217980 344514114 /nfs/dbraw/zinc/51/41/14/344514114.db2.gz LKOXHIUQZSRIIT-CQSZACIVSA-N 1 1 248.370 2.866 40 0 BFABMO CCC[C@@H]1C[N@H+](Cc2ccccc2)CCC1=O ZINC000039370477 347189727 /nfs/dbraw/zinc/18/97/27/347189727.db2.gz LREIAPHWNGPAPR-CQSZACIVSA-N 1 1 231.339 2.878 40 0 BFABMO CCC[C@@H]1C[N@@H+](Cc2ccccc2)CCC1=O ZINC000039370477 347189729 /nfs/dbraw/zinc/18/97/29/347189729.db2.gz LREIAPHWNGPAPR-CQSZACIVSA-N 1 1 231.339 2.878 40 0 BFABMO [NH3+][C@@H](Cc1ccccc1)CN1CCCCCCC1 ZINC000020266242 259403024 /nfs/dbraw/zinc/40/30/24/259403024.db2.gz PXQHXBIFPYQUGB-INIZCTEOSA-N 1 1 246.398 2.823 40 0 BFABMO Cc1[nH+]c2ccc(Br)cn2c1C ZINC000036259700 180088694 /nfs/dbraw/zinc/08/86/94/180088694.db2.gz AXJKPHYIERDRBX-UHFFFAOYSA-N 1 1 225.089 2.714 40 0 BFABMO Cc1nccc([C@H]2CCC[N@H+](C3CCCC3)C2)n1 ZINC000072187778 180208942 /nfs/dbraw/zinc/20/89/42/180208942.db2.gz KZDIRAULYJKKAA-ZDUSSCGKSA-N 1 1 245.370 2.907 40 0 BFABMO C[C@@H](c1ccccc1)[N@@H+]1CCN[C@@H]2CCC[C@@H]21 ZINC000225718167 350370798 /nfs/dbraw/zinc/37/07/98/350370798.db2.gz GLGPYQCXXCTFDK-CFVMTHIKSA-N 1 1 230.355 2.574 40 0 BFABMO C[C@@H](c1ccccc1)[N@H+]1CCN[C@@H]2CCC[C@@H]21 ZINC000225718167 350370803 /nfs/dbraw/zinc/37/08/03/350370803.db2.gz GLGPYQCXXCTFDK-CFVMTHIKSA-N 1 1 230.355 2.574 40 0 BFABMO CC(C)[N@H+]1CC[C@H](Cc2cnc3[nH]ccc3c2)C1 ZINC000072367729 188306558 /nfs/dbraw/zinc/30/65/58/188306558.db2.gz QZYUWMCAIAMUFE-GFCCVEGCSA-N 1 1 243.354 2.836 40 0 BFABMO CCC[N@H+]1CCC[C@H]1c1ncccc1C ZINC000072211134 259523897 /nfs/dbraw/zinc/52/38/97/259523897.db2.gz DXKONNJSIGMTAO-LBPRGKRZSA-N 1 1 204.317 2.937 40 0 BFABMO COc1cc(C)c([C@H]2CCC[N@H+]2C(C)C)cn1 ZINC000072218016 259528464 /nfs/dbraw/zinc/52/84/64/259528464.db2.gz SEOXTVWXHIWEIS-CYBMUJFWSA-N 1 1 234.343 2.944 40 0 BFABMO C([C@H]1CCCC[NH2+]1)[N@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC000108275813 369385097 /nfs/dbraw/zinc/38/50/97/369385097.db2.gz SMFJJXNFNWYQPN-RBSFLKMASA-N 1 1 236.403 2.641 40 0 BFABMO C([C@H]1CCCC[NH2+]1)N1CC[C@H]2CCCC[C@@H]2C1 ZINC000108275813 369385102 /nfs/dbraw/zinc/38/51/02/369385102.db2.gz SMFJJXNFNWYQPN-RBSFLKMASA-N 1 1 236.403 2.641 40 0 BFABMO Clc1cncc(Cn2c[nH+]c3c2CCCC3)c1 ZINC000621299125 370228162 /nfs/dbraw/zinc/22/81/62/370228162.db2.gz VOAQECKROKBSHW-UHFFFAOYSA-N 1 1 247.729 2.859 40 0 BFABMO [NH3+]CC(F)(F)Sc1ccccc1Cl ZINC000131750358 371666455 /nfs/dbraw/zinc/66/64/55/371666455.db2.gz DNZPSPBLLQBOGM-UHFFFAOYSA-N 1 1 223.675 2.984 40 0 BFABMO C[C@H](N[C@H]1CCCC[C@H]1[NH3+])c1ccccc1 ZINC000143112375 374136269 /nfs/dbraw/zinc/13/62/69/374136269.db2.gz QQTZYYSHFALROI-YUTCNCBUSA-N 1 1 218.344 2.607 40 0 BFABMO CCCCc1nc([C@@H]2CCCCC[NH2+]2)no1 ZINC000159522629 169026378 /nfs/dbraw/zinc/02/63/78/169026378.db2.gz QROFVICBVYCACP-JTQLQIEISA-N 1 1 223.320 2.617 40 0 BFABMO CCCCc1nc([C@H]2CCCCC[NH2+]2)no1 ZINC000159522770 169027805 /nfs/dbraw/zinc/02/78/05/169027805.db2.gz QROFVICBVYCACP-SNVBAGLBSA-N 1 1 223.320 2.617 40 0 BFABMO CCCN(CC[C@@H]([NH3+])C(C)C)Cc1ccco1 ZINC000096523805 169169956 /nfs/dbraw/zinc/16/99/56/169169956.db2.gz UKDZZCNKBUYJPD-CQSZACIVSA-N 1 1 238.375 2.865 40 0 BFABMO c1cc([C@H]2CC[N@H+](C3CCCCC3)C2)n[nH]1 ZINC000072187759 183364329 /nfs/dbraw/zinc/36/43/29/183364329.db2.gz NIRVRHFIHWKFSO-NSHDSACASA-N 1 1 219.332 2.532 40 0 BFABMO c1cc([C@H]2CC[N@@H+](C3CCCCC3)C2)[nH]n1 ZINC000072187759 183364332 /nfs/dbraw/zinc/36/43/32/183364332.db2.gz NIRVRHFIHWKFSO-NSHDSACASA-N 1 1 219.332 2.532 40 0 BFABMO c1cc([C@H]2CC[N@H+](C3CCCCC3)C2)[nH]n1 ZINC000072187759 183364335 /nfs/dbraw/zinc/36/43/35/183364335.db2.gz NIRVRHFIHWKFSO-NSHDSACASA-N 1 1 219.332 2.532 40 0 BFABMO c1cc([C@H]2CCC[N@H+](C3CCCC3)C2)ncn1 ZINC000072348414 183362361 /nfs/dbraw/zinc/36/23/61/183362361.db2.gz JDMGWFPRCYJUBI-LBPRGKRZSA-N 1 1 231.343 2.599 40 0 BFABMO c1cc([C@H]2CCCC[N@@H+]2C2CCCC2)n[nH]1 ZINC000072348419 183362386 /nfs/dbraw/zinc/36/23/86/183362386.db2.gz YJPMDQFUBTUBTI-CYBMUJFWSA-N 1 1 219.332 2.879 40 0 BFABMO O=C1O[C@@H](c2ccccc2)C[C@@H]1[NH+]1CCCCC1 ZINC000001842992 383938267 /nfs/dbraw/zinc/93/82/67/383938267.db2.gz OTUIWPRWKLUVLB-UONOGXRCSA-N 1 1 245.322 2.529 40 0 BFABMO CN(C)CCC[N@@H+]1C[C@@H]2CC[C@](C)(C1)C2(C)C ZINC000005963962 384141238 /nfs/dbraw/zinc/14/12/38/384141238.db2.gz XOLYOIFACSAJQL-DZGCQCFKSA-N 1 1 238.419 2.696 40 0 BFABMO CN(C)CCC[N@H+]1C[C@@H]2CC[C@](C)(C1)C2(C)C ZINC000005963962 384141241 /nfs/dbraw/zinc/14/12/41/384141241.db2.gz XOLYOIFACSAJQL-DZGCQCFKSA-N 1 1 238.419 2.696 40 0 BFABMO Cc1ccccc1[C@@H](CN)[N@H+]1CCC[C@@H](C)C1 ZINC000219809546 384482705 /nfs/dbraw/zinc/48/27/05/384482705.db2.gz WDJXNZUPDHCAGE-IUODEOHRSA-N 1 1 232.371 2.727 40 0 BFABMO Cc1ccccc1[C@@H](C[NH3+])N1CCC[C@@H](C)C1 ZINC000219809546 384482708 /nfs/dbraw/zinc/48/27/08/384482708.db2.gz WDJXNZUPDHCAGE-IUODEOHRSA-N 1 1 232.371 2.727 40 0 BFABMO CC[C@H](c1ccccc1)[N@@H+](CCO)C1CC1 ZINC000079421159 384496180 /nfs/dbraw/zinc/49/61/80/384496180.db2.gz GGSPMMIVUKYXFJ-CQSZACIVSA-N 1 1 219.328 2.594 40 0 BFABMO COc1c(C)cccc1C[NH2+]Cc1ccco1 ZINC000095094813 384959582 /nfs/dbraw/zinc/95/95/82/384959582.db2.gz ZFHAOURTOGSVHL-UHFFFAOYSA-N 1 1 231.295 2.886 40 0 BFABMO Nc1[nH+]ccc2ccc(C(F)(F)F)cc12 ZINC000085386202 384942222 /nfs/dbraw/zinc/94/22/22/384942222.db2.gz CRYOQIQUMYQAKN-UHFFFAOYSA-N 1 1 212.174 2.836 40 0 BFABMO CCC[N@H+]1CCC[C@@H]1c1ncccc1C ZINC000072211133 385067461 /nfs/dbraw/zinc/06/74/61/385067461.db2.gz DXKONNJSIGMTAO-GFCCVEGCSA-N 1 1 204.317 2.937 40 0 BFABMO CCC[N@H+]1CCC[C@H]1c1cncc(C)c1 ZINC000072211345 385071519 /nfs/dbraw/zinc/07/15/19/385071519.db2.gz UZJRHLUQSJSSDM-ZDUSSCGKSA-N 1 1 204.317 2.937 40 0 BFABMO CC[N@H+]1CCCC[C@H]1c1cncc(C)c1 ZINC000072211357 385072601 /nfs/dbraw/zinc/07/26/01/385072601.db2.gz HXMMWBKVSLHTKL-ZDUSSCGKSA-N 1 1 204.317 2.937 40 0 BFABMO CCOc1ncccc1[C@H]1CCC[N@H+]1CC ZINC000072211830 385075630 /nfs/dbraw/zinc/07/56/30/385075630.db2.gz LDGWWEVEMRHSMH-GFCCVEGCSA-N 1 1 220.316 2.637 40 0 BFABMO CCN(C)c1ncccc1[C@H]1CCCC[N@H+]1C ZINC000072212791 385079104 /nfs/dbraw/zinc/07/91/04/385079104.db2.gz DLXGNZADGKYYIG-CYBMUJFWSA-N 1 1 233.359 2.695 40 0 BFABMO CC[N@H+]1CCCC[C@@H]1c1ccc(N(C)C)nc1 ZINC000072212612 385079129 /nfs/dbraw/zinc/07/91/29/385079129.db2.gz YYJCBNXCGCXOKX-CYBMUJFWSA-N 1 1 233.359 2.695 40 0 BFABMO CC[N@H+]1CCCC[C@H]1c1ccc(N(C)C)nc1 ZINC000072212613 385079539 /nfs/dbraw/zinc/07/95/39/385079539.db2.gz YYJCBNXCGCXOKX-ZDUSSCGKSA-N 1 1 233.359 2.695 40 0 BFABMO CCNc1ccc([C@H]2CCC[N@H+]2CC)cn1 ZINC000072213066 385081002 /nfs/dbraw/zinc/08/10/02/385081002.db2.gz RRRMCYJDEXKMIX-GFCCVEGCSA-N 1 1 219.332 2.670 40 0 BFABMO CNc1ccc([C@@H](O)c2ccccc2)c(C)[nH+]1 ZINC000072224103 385116768 /nfs/dbraw/zinc/11/67/68/385116768.db2.gz DOCYCEDZMJRQRK-AWEZNQCLSA-N 1 1 228.295 2.513 40 0 BFABMO CC[N@H+]1CCC[C@@H]1c1cnc(OC)c(C)c1 ZINC000072217712 385089432 /nfs/dbraw/zinc/08/94/32/385089432.db2.gz CRBBZPCPGOPPJN-GFCCVEGCSA-N 1 1 220.316 2.555 40 0 BFABMO CC[N@H+]1CCC[C@@H]1c1cnc(OC)cc1C ZINC000072218007 385094613 /nfs/dbraw/zinc/09/46/13/385094613.db2.gz ABFPSNKUMMSLSW-GFCCVEGCSA-N 1 1 220.316 2.555 40 0 BFABMO CCC[N@H+]1CCC[C@@H]1c1cnc(OC)cc1C ZINC000072218017 385094719 /nfs/dbraw/zinc/09/47/19/385094719.db2.gz CZCRARMOILCIHA-CYBMUJFWSA-N 1 1 234.343 2.946 40 0 BFABMO CCC[N@H+]1CCC[C@H]1c1ccc(=S)[nH]c1 ZINC000072217003 385098564 /nfs/dbraw/zinc/09/85/64/385098564.db2.gz OWPXPLBKFVXWOZ-NSHDSACASA-N 1 1 222.357 2.917 40 0 BFABMO CCC[N@H+]1CCC[C@H]1c1cnc(OC)cc1C ZINC000072218018 385098669 /nfs/dbraw/zinc/09/86/69/385098669.db2.gz CZCRARMOILCIHA-ZDUSSCGKSA-N 1 1 234.343 2.946 40 0 BFABMO CC[N@H+]1CCC[C@@H]1c1ccc(=S)[nH]c1C ZINC000072218371 385099993 /nfs/dbraw/zinc/09/99/93/385099993.db2.gz XFJHHXIKMDUBLC-LLVKDONJSA-N 1 1 222.357 2.836 40 0 BFABMO Cc1cc(=O)[nH]cc1[C@H]1CCC[N@@H+]1C(C)C ZINC000072218140 385100594 /nfs/dbraw/zinc/10/05/94/385100594.db2.gz HHRLKFXTHATAHE-GFCCVEGCSA-N 1 1 220.316 2.641 40 0 BFABMO CC[N@H+]1CCC[C@H]1c1c[nH]c(=S)c(C)c1 ZINC000072218252 385101066 /nfs/dbraw/zinc/10/10/66/385101066.db2.gz MBIFUZJZQMGQPY-NSHDSACASA-N 1 1 222.357 2.836 40 0 BFABMO Cc1cc(=O)[nH]cc1[C@@H]1CCC[N@@H+]1C(C)C ZINC000072218139 385101082 /nfs/dbraw/zinc/10/10/82/385101082.db2.gz HHRLKFXTHATAHE-LBPRGKRZSA-N 1 1 220.316 2.641 40 0 BFABMO CNc1ccc([C@H]2CCCC[N@H+]2C)c(C)n1 ZINC000072219115 385102969 /nfs/dbraw/zinc/10/29/69/385102969.db2.gz SFOAVQNHPANUAU-GFCCVEGCSA-N 1 1 219.332 2.589 40 0 BFABMO CNc1cc(C)c([C@@H]2CCCCN2C(C)=O)c[nH+]1 ZINC000072219074 385103162 /nfs/dbraw/zinc/10/31/62/385103162.db2.gz CTBBEGHOAOJTEL-ZDUSSCGKSA-N 1 1 247.342 2.505 40 0 BFABMO CNc1ccc([C@H]2CCC[N@H+]2C(C)C)c(C)n1 ZINC000072219100 385103573 /nfs/dbraw/zinc/10/35/73/385103573.db2.gz GDSWWHLNWXBWDY-CYBMUJFWSA-N 1 1 233.359 2.977 40 0 BFABMO CNc1ncc([C@@H]2CCCC[N@H+]2C)cc1C ZINC000072218994 385105454 /nfs/dbraw/zinc/10/54/54/385105454.db2.gz NWPMIMILVQVCCK-LBPRGKRZSA-N 1 1 219.332 2.589 40 0 BFABMO C[C@H]([NH2+]C1CCCCC1)C(=O)OC(C)(C)C ZINC000064219170 385247440 /nfs/dbraw/zinc/24/74/40/385247440.db2.gz ATFTUHMGMWYQPO-JTQLQIEISA-N 1 1 227.348 2.639 40 0 BFABMO CCCCCn1c[nH+]c2cc(N)ccc21 ZINC000052852297 385502303 /nfs/dbraw/zinc/50/23/03/385502303.db2.gz LITKHPPCSGRJRE-UHFFFAOYSA-N 1 1 203.289 2.809 40 0 BFABMO CCc1cc(N)ccc1[NH+]1CCCCC1 ZINC000214561881 385652811 /nfs/dbraw/zinc/65/28/11/385652811.db2.gz LMTPTZJSDOOUEK-UHFFFAOYSA-N 1 1 204.317 2.822 40 0 BFABMO CCCCN(CCCC)C[C@H]([NH3+])C(C)C ZINC000020485822 385682654 /nfs/dbraw/zinc/68/26/54/385682654.db2.gz LAOZXUKGSSEHFF-ZDUSSCGKSA-N 1 1 214.397 2.872 40 0 BFABMO CC[C@@H](C)[C@@H]([NH3+])CN1CCCCCCC1 ZINC000020266200 385668437 /nfs/dbraw/zinc/66/84/37/385668437.db2.gz YNWDMNUQHPRGFR-OLZOCXBDSA-N 1 1 212.381 2.626 40 0 BFABMO Cc1cc(-c2cc([C@H]3CCC[N@@H+]3C)ccn2)n[nH]1 ZINC000257269466 385757416 /nfs/dbraw/zinc/75/74/16/385757416.db2.gz MQBCWYOSHAQBEM-CQSZACIVSA-N 1 1 242.326 2.547 40 0 BFABMO Cc1ccc(Cl)c2c(NCCC[NH3+])ccnc12 ZINC000222680100 386058551 /nfs/dbraw/zinc/05/85/51/386058551.db2.gz ONOVPJBBZWNNSE-UHFFFAOYSA-N 1 1 249.745 2.957 40 0 BFABMO CC[C@H](C)n1c(C)[nH+]c2ccc(N)cc21 ZINC000223767720 386100340 /nfs/dbraw/zinc/10/03/40/386100340.db2.gz VUFGIRQNYSQGME-QMMMGPOBSA-N 1 1 203.289 2.898 40 0 BFABMO CC(C)n1ccc(C[NH2+]Cc2ccc(F)cc2)n1 ZINC000084225553 387854984 /nfs/dbraw/zinc/85/49/84/387854984.db2.gz RALDVLYEIDTFDI-UHFFFAOYSA-N 1 1 247.317 2.893 40 0 BFABMO FC(F)n1ccc(C[NH2+]Cc2cccs2)n1 ZINC000256053555 387863259 /nfs/dbraw/zinc/86/32/59/387863259.db2.gz RXUKRFQKKOVJJR-UHFFFAOYSA-N 1 1 243.282 2.630 40 0 BFABMO C1CCC([N@H+]2CCN[C@H]3CCCC[C@@H]32)CC1 ZINC000225711448 388840784 /nfs/dbraw/zinc/84/07/84/388840784.db2.gz KLNNTSMKRXXOKT-KBPBESRZSA-N 1 1 222.376 2.536 40 0 BFABMO C[C@H](c1ccccc1)[N@@H+]1CCN[C@@H]2CCCC[C@@H]21 ZINC000225714956 388841367 /nfs/dbraw/zinc/84/13/67/388841367.db2.gz IGOISJROXVLNGR-BMFZPTHFSA-N 1 1 244.382 2.964 40 0 BFABMO C[C@H](c1ccccc1)[N@H+]1CCN[C@@H]2CCCC[C@@H]21 ZINC000225714956 388841371 /nfs/dbraw/zinc/84/13/71/388841371.db2.gz IGOISJROXVLNGR-BMFZPTHFSA-N 1 1 244.382 2.964 40 0 BFABMO C[NH+](C)[C@H](CO)c1ccc(Cl)cc1Cl ZINC000070452966 322904949 /nfs/dbraw/zinc/90/49/49/322904949.db2.gz TUXXNGRIPJYLPR-SNVBAGLBSA-N 1 1 234.126 2.588 40 0 BFABMO CC(C)C[N@H+]1CCC[C@H]1c1ccncc1 ZINC000072211034 166968534 /nfs/dbraw/zinc/96/85/34/166968534.db2.gz AZFOIOPEINNATJ-ZDUSSCGKSA-N 1 1 204.317 2.875 40 0 BFABMO CC(C)O[C@H]1OC[N@@H+](C(C)(C)C)CC1(C)C ZINC000031749939 167283394 /nfs/dbraw/zinc/28/33/94/167283394.db2.gz VQDNQEWMNSQLIJ-LLVKDONJSA-N 1 1 229.364 2.852 40 0 BFABMO CC(C)O[C@H]1OC[N@H+](C(C)(C)C)CC1(C)C ZINC000031749939 167283395 /nfs/dbraw/zinc/28/33/95/167283395.db2.gz VQDNQEWMNSQLIJ-LLVKDONJSA-N 1 1 229.364 2.852 40 0 BFABMO CC1=C[C@@H](C)[C@H](C2N3CC[N@H+]2CCC3)[C@H](C)C1 ZINC000019325825 168125760 /nfs/dbraw/zinc/12/57/60/168125760.db2.gz HFPVWFVWBIWBRP-MCIONIFRSA-N 1 1 234.387 2.572 40 0 BFABMO CC[NH2+]C[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000053654027 170119864 /nfs/dbraw/zinc/11/98/64/170119864.db2.gz SXJSLWBWMPKLCP-HNNXBMFYSA-N 1 1 232.371 2.508 40 0 BFABMO CC[C@H](C)[C@H]([NH3+])c1nnc(-c2ccccc2)o1 ZINC000072210626 171397324 /nfs/dbraw/zinc/39/73/24/171397324.db2.gz MXBAYESEGFWNGW-ONGXEEELSA-N 1 1 231.299 2.783 40 0 BFABMO C[C@@H]1CCCCN1CC[N@H+]1CCCC[C@H]1C ZINC000246681660 176070881 /nfs/dbraw/zinc/07/08/81/176070881.db2.gz HFJJHXUCQWRVQD-ZIAGYGMSSA-N 1 1 224.392 2.735 40 0 BFABMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1C=O ZINC000095738622 176073068 /nfs/dbraw/zinc/07/30/68/176073068.db2.gz BJRKTLFXFDUBEW-GFCCVEGCSA-N 1 1 217.312 2.874 40 0 BFABMO C[C@H]1C[C@@H]2CC[N@@H+](Cc3ccc(F)cc3)C[C@H]2O1 ZINC000096062532 177352339 /nfs/dbraw/zinc/35/23/39/177352339.db2.gz QHVXBTOEZWYYLX-CORIIIEPSA-N 1 1 249.329 2.825 40 0 BFABMO CC[N@@H+]1[C@H](C(C)C)c2cc[nH]c2C[C@@H]1C ZINC000260825948 323128578 /nfs/dbraw/zinc/12/85/78/323128578.db2.gz WRQVWPDZJOZRFL-GXFFZTMASA-N 1 1 206.333 2.978 40 0 BFABMO Cc1cc([C@@H]2CCC[N@@H+]2C(C)C)ccn1 ZINC000072219457 178240383 /nfs/dbraw/zinc/24/03/83/178240383.db2.gz MELCVUPJAPAFRV-ZDUSSCGKSA-N 1 1 204.317 2.935 40 0 BFABMO Cc1cc([C@H]2CCC[N@@H+]2C(C)C)ccn1 ZINC000072219458 178266393 /nfs/dbraw/zinc/26/63/93/178266393.db2.gz MELCVUPJAPAFRV-CYBMUJFWSA-N 1 1 204.317 2.935 40 0 BFABMO Cc1cc2[nH+]cn(CC(C)C)c2cc1N ZINC000223768983 178305912 /nfs/dbraw/zinc/30/59/12/178305912.db2.gz FGBXIGFQSBMIPB-UHFFFAOYSA-N 1 1 203.289 2.583 40 0 BFABMO CC[C@@H](C)[C@H]([NH3+])c1nnc(-c2ccccc2)o1 ZINC000072210625 259317289 /nfs/dbraw/zinc/31/72/89/259317289.db2.gz MXBAYESEGFWNGW-KOLCDFICSA-N 1 1 231.299 2.783 40 0 BFABMO CCCC[N@H+]1CCCC[C@H]1c1cccnc1N ZINC000072212441 259317375 /nfs/dbraw/zinc/31/73/75/259317375.db2.gz IMAPYTMCWLJGRT-ZDUSSCGKSA-N 1 1 233.359 2.991 40 0 BFABMO CCSc1ccc([C@H]2CCC[N@H+]2C)cn1 ZINC000072217107 259317963 /nfs/dbraw/zinc/31/79/63/259317963.db2.gz DSJLMKGUDSTHKA-LLVKDONJSA-N 1 1 222.357 2.960 40 0 BFABMO CC(C)COc1ccccc1-c1cnc(C[NH3+])o1 ZINC000072220123 259318700 /nfs/dbraw/zinc/31/87/00/259318700.db2.gz YCSLJJXWTGQEHK-UHFFFAOYSA-N 1 1 246.310 2.835 40 0 BFABMO Cc1nc(N)ccc1[C@@H]1CCCC[N@@H+]1C(C)C ZINC000072218580 259318392 /nfs/dbraw/zinc/31/83/92/259318392.db2.gz AOUAIZCRWOKPBQ-ZDUSSCGKSA-N 1 1 233.359 2.908 40 0 BFABMO CCCC[N@@H+](C)[C@H](C)[C@@H](O)c1ccccc1 ZINC000013424787 342866743 /nfs/dbraw/zinc/86/67/43/342866743.db2.gz FJIKJFWKVKMDTN-TZMCWYRMSA-N 1 1 221.344 2.840 40 0 BFABMO Clc1nccn2c1c[nH+]c2C1CCC1 ZINC000033359141 343252268 /nfs/dbraw/zinc/25/22/68/343252268.db2.gz QKTHPZLWERNYEN-UHFFFAOYSA-N 1 1 207.664 2.650 40 0 BFABMO Cc1cc(C)cc(Nc2cc(C)[nH+]c(N)n2)c1 ZINC000043532131 343476818 /nfs/dbraw/zinc/47/68/18/343476818.db2.gz YWUYVCHXXGAYDE-UHFFFAOYSA-N 1 1 228.299 2.728 40 0 BFABMO CC(C)[N@@H+](CCO)[C@H](C)c1ccc(F)cc1 ZINC000079421188 187263161 /nfs/dbraw/zinc/26/31/61/187263161.db2.gz SXDVVOOBFIYEPC-LLVKDONJSA-N 1 1 225.307 2.589 40 0 BFABMO Cc1nc(Nc2ccc(Cl)cc2)cc(N)[nH+]1 ZINC000049467273 343599061 /nfs/dbraw/zinc/59/90/61/343599061.db2.gz XYDGSFSSNMJTFZ-UHFFFAOYSA-N 1 1 234.690 2.764 40 0 BFABMO Cc1nc(N)cc(Nc2ccc(Cl)cc2)[nH+]1 ZINC000049467273 343599063 /nfs/dbraw/zinc/59/90/63/343599063.db2.gz XYDGSFSSNMJTFZ-UHFFFAOYSA-N 1 1 234.690 2.764 40 0 BFABMO Cc1cc(C)cc(Nc2cc(N)nc(C)[nH+]2)c1 ZINC000049467258 343599151 /nfs/dbraw/zinc/59/91/51/343599151.db2.gz YCUWOAQUANHYNI-UHFFFAOYSA-N 1 1 228.299 2.728 40 0 BFABMO Cc1cc(C)cc(Nc2cc(N)[nH+]c(C)n2)c1 ZINC000049467258 343599152 /nfs/dbraw/zinc/59/91/52/343599152.db2.gz YCUWOAQUANHYNI-UHFFFAOYSA-N 1 1 228.299 2.728 40 0 BFABMO Cc1cccc([C@H](CN)[N@H+]2CCC[C@@H](C)C2)c1 ZINC000019256145 259373010 /nfs/dbraw/zinc/37/30/10/259373010.db2.gz DZJHDJOAIHYPNT-HIFRSBDPSA-N 1 1 232.371 2.727 40 0 BFABMO Cc1cccc([C@H](C[NH3+])N2CCC[C@@H](C)C2)c1 ZINC000019256145 259373011 /nfs/dbraw/zinc/37/30/11/259373011.db2.gz DZJHDJOAIHYPNT-HIFRSBDPSA-N 1 1 232.371 2.727 40 0 BFABMO Cc1cccc([C@@H](CN)[N@H+]2CCC[C@H](C)C2)c1 ZINC000036879510 179184962 /nfs/dbraw/zinc/18/49/62/179184962.db2.gz DZJHDJOAIHYPNT-DZGCQCFKSA-N 1 1 232.371 2.727 40 0 BFABMO Cc1cccc([C@@H](C[NH3+])N2CCC[C@H](C)C2)c1 ZINC000036879510 179184963 /nfs/dbraw/zinc/18/49/63/179184963.db2.gz DZJHDJOAIHYPNT-DZGCQCFKSA-N 1 1 232.371 2.727 40 0 BFABMO Cc1ccccc1CN1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000072324426 179275866 /nfs/dbraw/zinc/27/58/66/179275866.db2.gz SQOWSENQVLOOAZ-HOCLYGCPSA-N 1 1 244.382 2.664 40 0 BFABMO Cc1ccccc1[C@@H](CN)[N@H+]1CCC[C@H](C)C1 ZINC000036875049 347952976 /nfs/dbraw/zinc/95/29/76/347952976.db2.gz WDJXNZUPDHCAGE-SWLSCSKDSA-N 1 1 232.371 2.727 40 0 BFABMO Cc1ccccc1[C@@H](C[NH3+])N1CCC[C@H](C)C1 ZINC000036875049 347952980 /nfs/dbraw/zinc/95/29/80/347952980.db2.gz WDJXNZUPDHCAGE-SWLSCSKDSA-N 1 1 232.371 2.727 40 0 BFABMO Cc1ccc[nH+]c1NCc1cnn(CC(C)C)c1 ZINC000072226469 179395386 /nfs/dbraw/zinc/39/53/86/179395386.db2.gz PPWWSVHBPVNUPC-UHFFFAOYSA-N 1 1 244.342 2.855 40 0 BFABMO C[N@H+]1CCCCC12CCN(Cc1ccoc1)CC2 ZINC000096051191 191055024 /nfs/dbraw/zinc/05/50/24/191055024.db2.gz FCPNTAWGFYWVIA-UHFFFAOYSA-N 1 1 248.370 2.730 40 0 BFABMO Cc1nccc([C@@H]2CC[N@@H+](CC(C)(C)C)C2)n1 ZINC000257245240 180207600 /nfs/dbraw/zinc/20/76/00/180207600.db2.gz IOQVEQJQHVJMKV-GFCCVEGCSA-N 1 1 233.359 2.620 40 0 BFABMO Cc1nccc(C[N@H+]2CC=CCC(C)(C)C2)n1 ZINC000019287527 180182627 /nfs/dbraw/zinc/18/26/27/180182627.db2.gz HTMXHVHFJDUWDC-UHFFFAOYSA-N 1 1 231.343 2.573 40 0 BFABMO Fc1ccc(-c2nc([C@@H]3CCCC[NH2+]3)no2)cc1 ZINC000040443338 350363215 /nfs/dbraw/zinc/36/32/15/350363215.db2.gz VLYIBRPEPMWVIG-NSHDSACASA-N 1 1 247.273 2.690 40 0 BFABMO Cc1noc([C@@H]2CC[N@@H+](CC3CCCCC3)C2)n1 ZINC000072357185 180498039 /nfs/dbraw/zinc/49/80/39/180498039.db2.gz OCLQPTSYJOHDSO-CYBMUJFWSA-N 1 1 249.358 2.748 40 0 BFABMO CC(C)C[N@H+]1CCCC[C@@H]1c1cc[nH]n1 ZINC000257253636 351042455 /nfs/dbraw/zinc/04/24/55/351042455.db2.gz JZRLVPUYMVIHSV-GFCCVEGCSA-N 1 1 207.321 2.593 40 0 BFABMO Cc1ccc(C[N@@H+]2CCCC[C@H]2CN)c(C)c1 ZINC000044539862 352354464 /nfs/dbraw/zinc/35/44/64/352354464.db2.gz URFWSELDVWMLBS-HNNXBMFYSA-N 1 1 232.371 2.617 40 0 BFABMO Cc1ccc(C[N@H+]2CCCC[C@H]2CN)c(C)c1 ZINC000044539862 352354465 /nfs/dbraw/zinc/35/44/65/352354465.db2.gz URFWSELDVWMLBS-HNNXBMFYSA-N 1 1 232.371 2.617 40 0 BFABMO Cc1ccc[nH+]c1NCc1ccc(O)cc1 ZINC000072226345 188306901 /nfs/dbraw/zinc/30/69/01/188306901.db2.gz PXYRNBGFPSJTSY-UHFFFAOYSA-N 1 1 214.268 2.708 40 0 BFABMO CCC[N@H+]1CCC[C@H]1c1cnc(N)cc1C ZINC000072218502 259529286 /nfs/dbraw/zinc/52/92/86/259529286.db2.gz ROMBMHRQDYFZGI-LBPRGKRZSA-N 1 1 219.332 2.519 40 0 BFABMO Cc1[nH+]c(N(C)c2ccccc2)ccc1CCO ZINC000072224398 259532736 /nfs/dbraw/zinc/53/27/36/259532736.db2.gz QZKHBRYVFCYULD-UHFFFAOYSA-N 1 1 242.322 2.693 40 0 BFABMO C[N@H+]1CCC[C@@H]1c1cccc(NCC(F)F)n1 ZINC000205697942 368359545 /nfs/dbraw/zinc/35/95/45/368359545.db2.gz SXTPPMITMCYLNV-SNVBAGLBSA-N 1 1 241.285 2.525 40 0 BFABMO c1c2cccnc2oc1C[N@H+]1C[C@@H]2C[C@H]1CS2 ZINC000459754400 203357036 /nfs/dbraw/zinc/35/70/36/203357036.db2.gz DEZJVXJBOHITEU-JQWIXIFHSA-N 1 1 246.335 2.518 40 0 BFABMO Cc1ccc(SC(F)(F)C[NH3+])cc1 ZINC000131749710 371665904 /nfs/dbraw/zinc/66/59/04/371665904.db2.gz CYAWGUCUUGKTDQ-UHFFFAOYSA-N 1 1 203.257 2.639 40 0 BFABMO CCCCn1c[nH+]c2cc(C)c(N)cc21 ZINC000223768774 169037039 /nfs/dbraw/zinc/03/70/39/169037039.db2.gz ODAXKBFHJJOWDF-UHFFFAOYSA-N 1 1 203.289 2.727 40 0 BFABMO S=C1[C@@H]2CCC[C@H]2[NH+]=C2c3ccccc3CN21 ZINC000016756648 183313383 /nfs/dbraw/zinc/31/33/83/183313383.db2.gz NDRSTSINJROXCG-VXGBXAGGSA-N 1 1 242.347 2.759 40 0 BFABMO c1cc([C@@H]2CCC[N@H+]2C2CCCCC2)ncn1 ZINC000072356841 183359522 /nfs/dbraw/zinc/35/95/22/183359522.db2.gz MUTUTXUZLZVDDD-AWEZNQCLSA-N 1 1 231.343 2.946 40 0 BFABMO CCC[NH2+]Cc1nc2ccc(Cl)cc2[nH]1 ZINC000022122064 169269661 /nfs/dbraw/zinc/26/96/61/169269661.db2.gz GBHKCASUBLYUBA-UHFFFAOYSA-N 1 1 223.707 2.716 40 0 BFABMO c1cc([C@H]2CCC[N@@H+]2Cc2ccccc2)n[nH]1 ZINC000072381194 183399157 /nfs/dbraw/zinc/39/91/57/183399157.db2.gz YKURERBCNYSERC-CQSZACIVSA-N 1 1 227.311 2.747 40 0 BFABMO C[N@@H+]1CC=C(c2nc3cc(Cl)ccc3[nH]2)CC1 ZINC000073636242 384028532 /nfs/dbraw/zinc/02/85/32/384028532.db2.gz RIUQWXFYPVWSKR-UHFFFAOYSA-N 1 1 247.729 2.935 40 0 BFABMO C[N@H+]1CC=C(c2nc3ccc(Cl)cc3[nH]2)CC1 ZINC000073636242 384028542 /nfs/dbraw/zinc/02/85/42/384028542.db2.gz RIUQWXFYPVWSKR-UHFFFAOYSA-N 1 1 247.729 2.935 40 0 BFABMO C[N@@H+]1CC=C(c2nc3ccc(Cl)cc3[nH]2)CC1 ZINC000073636242 384028546 /nfs/dbraw/zinc/02/85/46/384028546.db2.gz RIUQWXFYPVWSKR-UHFFFAOYSA-N 1 1 247.729 2.935 40 0 BFABMO C[C@H](NC1CC[NH2+]CC1)c1cccc(Cl)c1 ZINC000038040654 384061445 /nfs/dbraw/zinc/06/14/45/384061445.db2.gz CDFNMSRVVWCLBS-JTQLQIEISA-N 1 1 238.762 2.743 40 0 BFABMO O=C1CCC[C@]12CC[N@@H+](Cc1ccccc1)C2 ZINC000091304762 384116948 /nfs/dbraw/zinc/11/69/48/384116948.db2.gz XRTIVWOCSUOHPQ-OAHLLOKOSA-N 1 1 229.323 2.632 40 0 BFABMO c1ccc2c(c1)[nH]c1c2CC[N@@H+]2CCC[C@H]12 ZINC000006576349 384158625 /nfs/dbraw/zinc/15/86/25/384158625.db2.gz LXJWBHIVLXMHDZ-CYBMUJFWSA-N 1 1 212.296 2.861 40 0 in-vitro BFABMO Cc1c[nH]nc1[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC000072356818 384210540 /nfs/dbraw/zinc/21/05/40/384210540.db2.gz AXOBEEJBNLGDCZ-GFCCVEGCSA-N 1 1 233.359 2.840 40 0 BFABMO Cc1ccnc([C@@H]2CCC[N@H+](C3CCCC3)C2)n1 ZINC000072356814 384211074 /nfs/dbraw/zinc/21/10/74/384211074.db2.gz JURBWIGVOWZBMT-CYBMUJFWSA-N 1 1 245.370 2.907 40 0 BFABMO Cc1c[nH]nc1[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000072381186 384216759 /nfs/dbraw/zinc/21/67/59/384216759.db2.gz ZAGPQDQNUXCXGA-LBPRGKRZSA-N 1 1 233.359 2.840 40 0 BFABMO Cc1ccnc([C@@H]2CC[N@H+](C3CCCCC3)C2)n1 ZINC000072381183 384217240 /nfs/dbraw/zinc/21/72/40/384217240.db2.gz HJTXPYJKTDXBHB-CYBMUJFWSA-N 1 1 245.370 2.907 40 0 BFABMO CC(C)(C)[N@H+]1CCO[C@@H](COc2ccccc2)C1 ZINC000014982336 384411185 /nfs/dbraw/zinc/41/11/85/384411185.db2.gz VHPLFQLDULGLNL-CQSZACIVSA-N 1 1 249.354 2.565 40 0 BFABMO COC[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccoc1)C2 ZINC000096109134 384433917 /nfs/dbraw/zinc/43/39/17/384433917.db2.gz JINGZKUJMCPPCT-KGLIPLIRSA-N 1 1 235.327 2.528 40 0 BFABMO Cc1ccc(CN2CC[C@@]3(C2)CCCC[N@@H+]3C)o1 ZINC000096203124 384442988 /nfs/dbraw/zinc/44/29/88/384442988.db2.gz LSNAEDYFZVSSKK-OAHLLOKOSA-N 1 1 248.370 2.648 40 0 BFABMO Cc1ccc(C[N@H+]2CC[C@@]3(C2)CCCCN3C)o1 ZINC000096203124 384442995 /nfs/dbraw/zinc/44/29/95/384442995.db2.gz LSNAEDYFZVSSKK-OAHLLOKOSA-N 1 1 248.370 2.648 40 0 BFABMO Cc1ccc(C[N@@H+]2CC[C@@]3(C2)CCCCN3C)o1 ZINC000096203124 384443000 /nfs/dbraw/zinc/44/30/00/384443000.db2.gz LSNAEDYFZVSSKK-OAHLLOKOSA-N 1 1 248.370 2.648 40 0 BFABMO Cc1ccc([C@@]2(O)C[C@H](C)[N@H+](C)C[C@H]2C)c(C)c1 ZINC000102666561 384723669 /nfs/dbraw/zinc/72/36/69/384723669.db2.gz BNPBCKRXUQEEPS-IJEWVQPXSA-N 1 1 247.382 2.851 40 0 BFABMO CC[n+]1cccc(-c2nc3ccc(C)cc3[nH]2)c1 ZINC000226774465 385051140 /nfs/dbraw/zinc/05/11/40/385051140.db2.gz CZAWGQOLLJOMRI-UHFFFAOYSA-N 1 1 238.314 2.846 40 0 BFABMO CCC[N@H+]1CCC[C@@H]1c1ccc(C)nc1 ZINC000072211240 385068633 /nfs/dbraw/zinc/06/86/33/385068633.db2.gz NZDJCULDWGRARY-CYBMUJFWSA-N 1 1 204.317 2.937 40 0 BFABMO Cc1cncc([C@H]2CCC[N@@H+]2C(C)C)c1 ZINC000072211343 385072336 /nfs/dbraw/zinc/07/23/36/385072336.db2.gz LVNNMYCEPFUUIC-CYBMUJFWSA-N 1 1 204.317 2.935 40 0 BFABMO CCC[N@H+]1CCC[C@@H]1c1cnccc1C ZINC000072211399 385073097 /nfs/dbraw/zinc/07/30/97/385073097.db2.gz LUVZOPHKIFDYFE-CYBMUJFWSA-N 1 1 204.317 2.937 40 0 BFABMO CCN(C)c1ccc([C@H]2CCCC[N@H+]2C)cn1 ZINC000072212731 385079486 /nfs/dbraw/zinc/07/94/86/385079486.db2.gz VYFXNGMAZYRLCR-CYBMUJFWSA-N 1 1 233.359 2.695 40 0 BFABMO CC(C)CNc1ncccc1[C@@H]1CCC[N@H+]1C ZINC000072213239 385079550 /nfs/dbraw/zinc/07/95/50/385079550.db2.gz NNHAVFOERAWROM-ZDUSSCGKSA-N 1 1 233.359 2.916 40 0 BFABMO CCN(C)c1ccc([C@@H]2CCCC[N@H+]2C)cn1 ZINC000072212730 385080630 /nfs/dbraw/zinc/08/06/30/385080630.db2.gz VYFXNGMAZYRLCR-ZDUSSCGKSA-N 1 1 233.359 2.695 40 0 BFABMO COc1ccc(OC)c([C@@H]2CCCC[N@H+]2C)c1 ZINC000072221880 385110666 /nfs/dbraw/zinc/11/06/66/385110666.db2.gz JRQCNXGGQADSMO-ZDUSSCGKSA-N 1 1 235.327 2.861 40 0 BFABMO COc1cc(C)c([C@@H]2CCCC[N@H+]2C)cn1 ZINC000072218030 385087475 /nfs/dbraw/zinc/08/74/75/385087475.db2.gz YSKDLSHHGZESFB-LBPRGKRZSA-N 1 1 220.316 2.555 40 0 BFABMO C[N@H+]1CCCC[C@H]1c1ccc(N2CCCC2)nc1 ZINC000072215937 385092651 /nfs/dbraw/zinc/09/26/51/385092651.db2.gz QVODXARGPBHTOF-AWEZNQCLSA-N 1 1 245.370 2.839 40 0 BFABMO C[N@H+]1CCC[C@@H]1c1ccc(N2CCCCC2)nc1 ZINC000072216027 385094236 /nfs/dbraw/zinc/09/42/36/385094236.db2.gz KFZYHJKUTLGMLP-CQSZACIVSA-N 1 1 245.370 2.839 40 0 BFABMO Cc1cc([C@@H]2CCC[N@@H+]2C(C)C)cnc1N ZINC000072218439 385101017 /nfs/dbraw/zinc/10/10/17/385101017.db2.gz YLSLKMMWNNPBTC-LBPRGKRZSA-N 1 1 219.332 2.518 40 0 BFABMO CCCC[N@H+]1CCC[C@@H]1c1cnc(N)cc1C ZINC000072218505 385101226 /nfs/dbraw/zinc/10/12/26/385101226.db2.gz ITDSJYNKBODQRO-CYBMUJFWSA-N 1 1 233.359 2.909 40 0 BFABMO CC[N@H+]1CCC[C@@H]1c1ccc(N(C)C)nc1C ZINC000072218731 385103239 /nfs/dbraw/zinc/10/32/39/385103239.db2.gz BEKOXTWNHIBRFW-CYBMUJFWSA-N 1 1 233.359 2.613 40 0 BFABMO CNc1ncc([C@H]2CCCC[N@H+]2C)cc1C ZINC000072218995 385103680 /nfs/dbraw/zinc/10/36/80/385103680.db2.gz NWPMIMILVQVCCK-GFCCVEGCSA-N 1 1 219.332 2.589 40 0 BFABMO CNc1cc(C)c([C@H]2CCCC[N@H+]2C)cn1 ZINC000072219055 385104259 /nfs/dbraw/zinc/10/42/59/385104259.db2.gz LCDOBOOQBQQVBE-GFCCVEGCSA-N 1 1 219.332 2.589 40 0 BFABMO CC[N@H+]1CCCC[C@H]1c1cnc(NC)cc1C ZINC000072219057 385104921 /nfs/dbraw/zinc/10/49/21/385104921.db2.gz KXWBPAZSKQBKOE-ZDUSSCGKSA-N 1 1 233.359 2.979 40 0 BFABMO CC[N@H+]1CCCC[C@H]1c1ccncc1C ZINC000072219530 385105385 /nfs/dbraw/zinc/10/53/85/385105385.db2.gz BDLXUJHDKXKZCM-ZDUSSCGKSA-N 1 1 204.317 2.937 40 0 BFABMO CCCCN(CCCC)C[C@@H]([NH3+])CCSC ZINC000096523879 385270614 /nfs/dbraw/zinc/27/06/14/385270614.db2.gz BAJOUZJRQIYZEX-ZDUSSCGKSA-N 1 1 246.464 2.969 40 0 BFABMO Cc1c[nH]c([C@@H]2CC[N@H+](C3CCCCC3)C2)n1 ZINC000257249976 385755671 /nfs/dbraw/zinc/75/56/71/385755671.db2.gz JKMFZSIAPSHSCZ-GFCCVEGCSA-N 1 1 233.359 2.840 40 0 BFABMO Cc1ccc(C[N@@H+]2CCN[C@@H]3CCCC[C@H]32)cc1 ZINC000218829651 386037051 /nfs/dbraw/zinc/03/70/51/386037051.db2.gz VHXZCDVILTXYHM-HZPDHXFCSA-N 1 1 244.382 2.711 40 0 BFABMO Cc1ccc(C[N@H+]2CCN[C@@H]3CCCC[C@H]32)cc1 ZINC000218829651 386037059 /nfs/dbraw/zinc/03/70/59/386037059.db2.gz VHXZCDVILTXYHM-HZPDHXFCSA-N 1 1 244.382 2.711 40 0 BFABMO C[C@H](c1ccccc1)[N@@H+]1CCN[C@@H]2CCC[C@H]21 ZINC000218850211 386265390 /nfs/dbraw/zinc/26/53/90/386265390.db2.gz GLGPYQCXXCTFDK-BPLDGKMQSA-N 1 1 230.355 2.574 40 0 BFABMO C[C@H](c1ccccc1)[N@H+]1CCN[C@@H]2CCC[C@H]21 ZINC000218850211 386265392 /nfs/dbraw/zinc/26/53/92/386265392.db2.gz GLGPYQCXXCTFDK-BPLDGKMQSA-N 1 1 230.355 2.574 40 0 BFABMO CC[C@H](C)n1nccc1C[NH2+]Cc1ccco1 ZINC000256053326 387860864 /nfs/dbraw/zinc/86/08/64/387860864.db2.gz QZVYIDARPFEOSO-NSHDSACASA-N 1 1 233.315 2.737 40 0 BFABMO Cc1ccc2cc[nH+]c(NCC3COC3)c2c1 ZINC000528227589 387882162 /nfs/dbraw/zinc/88/21/62/387882162.db2.gz WYNDSTDVCSGKEE-UHFFFAOYSA-N 1 1 228.295 2.602 40 0 BFABMO C[C@@]12CC[N@H+](Cc3ccccc3Cl)C[C@@H]1O2 ZINC000242463921 388743952 /nfs/dbraw/zinc/74/39/52/388743952.db2.gz DQMUCOLXAAYBQX-QWHCGFSZSA-N 1 1 237.730 2.703 40 0 BFABMO C[C@@]12CC[N@@H+](Cc3ccccc3Cl)C[C@@H]1O2 ZINC000242463921 388743955 /nfs/dbraw/zinc/74/39/55/388743955.db2.gz DQMUCOLXAAYBQX-QWHCGFSZSA-N 1 1 237.730 2.703 40 0 BFABMO C[N@H+]1CCC2(C1)C1CC3CC(C1)CC2C3 ZINC000001722645 173002120 /nfs/dbraw/zinc/00/21/20/173002120.db2.gz XUYCDONIELSCFK-UHFFFAOYSA-N 1 1 205.345 2.764 40 0 BFABMO C[N@@H+]1CCCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000075907149 173008060 /nfs/dbraw/zinc/00/80/60/173008060.db2.gz KEACLUWMRTYPNZ-GFCCVEGCSA-N 1 1 215.300 2.720 40 0 BFABMO C[N@H+]1CCCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000075907149 173008061 /nfs/dbraw/zinc/00/80/61/173008061.db2.gz KEACLUWMRTYPNZ-GFCCVEGCSA-N 1 1 215.300 2.720 40 0 BFABMO C[N@H+]1CCCC[C@H]1[C@H](O)c1ccc(Cl)cc1 ZINC000001683252 173009601 /nfs/dbraw/zinc/00/96/01/173009601.db2.gz MTLXGAVDIYSMKB-QWHCGFSZSA-N 1 1 239.746 2.858 40 0 BFABMO C[N@H+]1CCCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000014695373 173010315 /nfs/dbraw/zinc/01/03/15/173010315.db2.gz GOWRYACIDZSIHI-UONOGXRCSA-N 1 1 219.328 2.594 40 0 biogenic,in-vitro BFABMO C[N@@H+]1[C@H]2C=C(c3ccc(Cl)nc3)C[C@@H]1CC2 ZINC000000017560 173206498 /nfs/dbraw/zinc/20/64/98/173206498.db2.gz XRBRBRUNDFTBCC-NEPJUHHUSA-N 1 1 234.730 2.985 40 0 BFABMO C[C@@H](N[C@@H]1CCCC[C@@H]1[NH3+])c1ccccc1 ZINC000147095413 487948516 /nfs/dbraw/zinc/94/85/16/487948516.db2.gz QQTZYYSHFALROI-KWCYVHTRSA-N 1 1 218.344 2.607 40 0 BFABMO Cc1nnsc1C[N@H+](C)C1(C)CCCC1 ZINC000570727638 323068850 /nfs/dbraw/zinc/06/88/50/323068850.db2.gz RWWSDXRAUCFIIM-UHFFFAOYSA-N 1 1 225.361 2.611 40 0 BFABMO Cc1cc(Nc2ccccc2Cl)nc(N)[nH+]1 ZINC000001676605 178193898 /nfs/dbraw/zinc/19/38/98/178193898.db2.gz SFBNWGSZNMAJTK-UHFFFAOYSA-N 1 1 234.690 2.764 40 0 BFABMO CC[N@H+]1CCCC[C@H]1c1cccnc1NC ZINC000072212553 259317171 /nfs/dbraw/zinc/31/71/71/259317171.db2.gz UDRGQNJODISMJB-LBPRGKRZSA-N 1 1 219.332 2.670 40 0 BFABMO Cc1cc(Cl)ncc1[C@@H]1CCC[N@@H+]1C ZINC000072217825 259317876 /nfs/dbraw/zinc/31/78/76/259317876.db2.gz XMEROKHPRHKWAH-JTQLQIEISA-N 1 1 210.708 2.810 40 0 BFABMO CSc1ncccc1[C@H]1CCC[N@H+]1C ZINC000072216926 259317888 /nfs/dbraw/zinc/31/78/88/259317888.db2.gz YNDNPNAULCMPDB-SNVBAGLBSA-N 1 1 208.330 2.570 40 0 BFABMO CCC[N@H+]1CCCC[C@H]1c1ccc(N)nc1C ZINC000072218579 259318297 /nfs/dbraw/zinc/31/82/97/259318297.db2.gz CHFIARZGABTOLV-ZDUSSCGKSA-N 1 1 233.359 2.909 40 0 BFABMO Cc1cc(N)ncc1[C@@H]1CCCC[N@@H+]1C(C)C ZINC000072218520 259318383 /nfs/dbraw/zinc/31/83/83/259318383.db2.gz LTWMTCDRWKGYOI-ZDUSSCGKSA-N 1 1 233.359 2.908 40 0 BFABMO Cc1cc([C@H]2CCCC[N@@H+]2C)c[nH]c1=S ZINC000072218275 259318395 /nfs/dbraw/zinc/31/83/95/259318395.db2.gz APSMQBIOZXCFOG-LLVKDONJSA-N 1 1 222.357 2.836 40 0 BFABMO CC(C)[N@H+]1CC[C@@H](OC(=O)Nc2ccccc2)C1 ZINC000005640981 342767553 /nfs/dbraw/zinc/76/75/53/342767553.db2.gz WNCJMZVHWSLECL-CYBMUJFWSA-N 1 1 248.326 2.718 40 0 BFABMO CCCNc1cc(C)c([C@H](O)CC)c[nH+]1 ZINC000072223209 259320985 /nfs/dbraw/zinc/32/09/85/259320985.db2.gz DCSOBPLFTFJKCV-LLVKDONJSA-N 1 1 208.305 2.655 40 0 BFABMO CNc1ccc[nH+]c1N(C(C)C)C(C)C ZINC000252508207 259326064 /nfs/dbraw/zinc/32/60/64/259326064.db2.gz XGFISLIEHZZWLG-UHFFFAOYSA-N 1 1 207.321 2.747 40 0 BFABMO Nc1ccc(N=Nc2ccccc2)c(N)[nH+]1 ZINC000012358980 342849914 /nfs/dbraw/zinc/84/99/14/342849914.db2.gz QPFYXYFORQJZEC-UHFFFAOYSA-N 1 1 213.244 2.661 40 0 in-vitro BFABMO CCCC[C@H](CC)C1N(C)CCC[N@H+]1C ZINC000019319383 342945415 /nfs/dbraw/zinc/94/54/15/342945415.db2.gz WPWCLYYNJKTGOQ-LBPRGKRZSA-N 1 1 212.381 2.796 40 0 BFABMO CCCCCCNCC[NH2+][C@@H](C)CC ZINC000039712258 343391978 /nfs/dbraw/zinc/39/19/78/343391978.db2.gz GHJVTHBAUWPMLU-LBPRGKRZSA-N 1 1 200.370 2.544 40 0 BFABMO CCCCCC[NH2+]CCN[C@@H](C)CC ZINC000039712258 343391981 /nfs/dbraw/zinc/39/19/81/343391981.db2.gz GHJVTHBAUWPMLU-LBPRGKRZSA-N 1 1 200.370 2.544 40 0 BFABMO CCC[N@H+]1CCC[C@@H]1c1cccc(C)n1 ZINC000072211079 344512605 /nfs/dbraw/zinc/51/26/05/344512605.db2.gz ZRCBWIFFXKVSNT-CYBMUJFWSA-N 1 1 204.317 2.937 40 0 BFABMO CC[N@H+]1[C@H](C)Cc2[nH]ccc2[C@@H]1C(C)C ZINC000260825951 323128690 /nfs/dbraw/zinc/12/86/90/323128690.db2.gz WRQVWPDZJOZRFL-MFKMUULPSA-N 1 1 206.333 2.978 40 0 BFABMO Cc1cccc([C@@H]2C[N@@H+](C3CCCC3)CCO2)n1 ZINC000072381177 179190876 /nfs/dbraw/zinc/19/08/76/179190876.db2.gz IHCYGRIDXVKWRF-HNNXBMFYSA-N 1 1 246.354 2.706 40 0 BFABMO Cc1cccc([C@@H]2C[N@H+](C3CCCC3)CCO2)n1 ZINC000072381177 179190879 /nfs/dbraw/zinc/19/08/79/179190879.db2.gz IHCYGRIDXVKWRF-HNNXBMFYSA-N 1 1 246.354 2.706 40 0 BFABMO Cc1ccc(Br)c(C[NH+](C)C)c1 ZINC000090413298 191023599 /nfs/dbraw/zinc/02/35/99/191023599.db2.gz DXTLVYMWJMLDTM-UHFFFAOYSA-N 1 1 228.133 2.819 40 0 BFABMO Cc1nccc([C@H]2CCC[N@@H+](CC3CCC3)C2)n1 ZINC000257304625 180208493 /nfs/dbraw/zinc/20/84/93/180208493.db2.gz SMKFSZWROWLMCD-AWEZNQCLSA-N 1 1 245.370 2.765 40 0 BFABMO CC(C)C[N@H+]1CCCC[C@H]1c1cc[nH]n1 ZINC000257253637 351042917 /nfs/dbraw/zinc/04/29/17/351042917.db2.gz JZRLVPUYMVIHSV-LBPRGKRZSA-N 1 1 207.321 2.593 40 0 BFABMO Cn1ccc(C[N@H+]2CCC[C@@H]2c2cccnc2)c1 ZINC000335149167 354863444 /nfs/dbraw/zinc/86/34/44/354863444.db2.gz JABSYWFCDVTOCE-OAHLLOKOSA-N 1 1 241.338 2.757 40 0 BFABMO C[C@@H](c1ccccc1)[N@@H+]1CCN[C@@H]2CCCC[C@@H]21 ZINC000225714931 371569221 /nfs/dbraw/zinc/56/92/21/371569221.db2.gz IGOISJROXVLNGR-IMJJTQAJSA-N 1 1 244.382 2.964 40 0 BFABMO C[C@@H](c1ccccc1)[N@H+]1CCN[C@@H]2CCCC[C@@H]21 ZINC000225714931 371569227 /nfs/dbraw/zinc/56/92/27/371569227.db2.gz IGOISJROXVLNGR-IMJJTQAJSA-N 1 1 244.382 2.964 40 0 BFABMO c1cc2c(cn1)Nc1cc[nH+]cc1S2 ZINC000098175432 183372215 /nfs/dbraw/zinc/37/22/15/183372215.db2.gz QUPLXMMXAMOWOL-UHFFFAOYSA-N 1 1 201.254 2.685 40 0 BFABMO c1[nH+]c2n(c1-c1ccccc1)CCCCC2 ZINC000000493918 183378007 /nfs/dbraw/zinc/37/80/07/183378007.db2.gz LYZIHRXKGRJCAM-UHFFFAOYSA-O 1 1 213.304 2.696 40 0 BFABMO c1cc([C@@H]2CC[N@H+](C3CCCCC3)C2)n[nH]1 ZINC000072187758 183362370 /nfs/dbraw/zinc/36/23/70/183362370.db2.gz NIRVRHFIHWKFSO-LLVKDONJSA-N 1 1 219.332 2.532 40 0 BFABMO c1cc([C@@H]2CC[N@@H+](C3CCCCC3)C2)[nH]n1 ZINC000072187758 183362371 /nfs/dbraw/zinc/36/23/71/183362371.db2.gz NIRVRHFIHWKFSO-LLVKDONJSA-N 1 1 219.332 2.532 40 0 BFABMO c1cc([C@@H]2CC[N@H+](C3CCCCC3)C2)[nH]n1 ZINC000072187758 183362373 /nfs/dbraw/zinc/36/23/73/183362373.db2.gz NIRVRHFIHWKFSO-LLVKDONJSA-N 1 1 219.332 2.532 40 0 BFABMO c1cc([C@@H]2CCC[N@@H+]2Cc2ccccc2)n[nH]1 ZINC000072381195 183399747 /nfs/dbraw/zinc/39/97/47/183399747.db2.gz YKURERBCNYSERC-AWEZNQCLSA-N 1 1 227.311 2.747 40 0 BFABMO Cc1ccc([C@@]2(O)C[C@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000000051420 383819510 /nfs/dbraw/zinc/81/95/10/383819510.db2.gz CFZMSXAIXMGEAH-KCQAQPDRSA-N 1 1 233.355 2.543 40 0 BFABMO Nc1nccc([C@H]2CCC[N@H+]2C2CCCCC2)n1 ZINC000072356838 383852898 /nfs/dbraw/zinc/85/28/98/383852898.db2.gz WWFIJWCOKDTZFK-CYBMUJFWSA-N 1 1 246.358 2.528 40 0 BFABMO O=C1O[C@H](c2ccccc2)C[C@H]1[NH+]1CCCCC1 ZINC000001842989 383937587 /nfs/dbraw/zinc/93/75/87/383937587.db2.gz OTUIWPRWKLUVLB-KGLIPLIRSA-N 1 1 245.322 2.529 40 0 BFABMO Nc1[nH+]c(-c2ccccc2)n2ccccc12 ZINC000090601881 384061959 /nfs/dbraw/zinc/06/19/59/384061959.db2.gz QJUGCUVISIZGCX-UHFFFAOYSA-N 1 1 209.252 2.584 40 0 BFABMO Cc1cc(C)nc([C@H]2CCC[N@@H+](CC3CC3)C2)n1 ZINC000072361368 384212800 /nfs/dbraw/zinc/21/28/00/384212800.db2.gz JFJHLZUCMIEQFS-AWEZNQCLSA-N 1 1 245.370 2.683 40 0 BFABMO Cc1ccnc(NCNc2cc(C)cc[nH+]2)c1 ZINC000015782080 384442842 /nfs/dbraw/zinc/44/28/42/384442842.db2.gz CONPXCQZLJPUMF-UHFFFAOYSA-N 1 1 228.299 2.575 40 0 BFABMO CCc1ccccc1NC(=O)[C@H]1CCC[N@@H+](C)C1 ZINC000082323167 384669929 /nfs/dbraw/zinc/66/99/29/384669929.db2.gz MCEXIVKNNZFBFA-ZDUSSCGKSA-N 1 1 246.354 2.529 40 0 BFABMO CCc1ccc(NC(=O)[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000082323271 384669990 /nfs/dbraw/zinc/66/99/90/384669990.db2.gz VOXYODSCHRSPLN-CYBMUJFWSA-N 1 1 246.354 2.529 40 0 BFABMO Cc1ccnc([C@H]2CCC[N@@H+]2C(C)C)c1 ZINC000072211186 385068101 /nfs/dbraw/zinc/06/81/01/385068101.db2.gz CGBTZIIAOGEYPR-CYBMUJFWSA-N 1 1 204.317 2.935 40 0 BFABMO CC[N@H+]1CCC[C@@H]1c1cccnc1Cl ZINC000072211490 385071408 /nfs/dbraw/zinc/07/14/08/385071408.db2.gz OCBINOITUZXCET-SNVBAGLBSA-N 1 1 210.708 2.892 40 0 BFABMO COc1ccc([C@@H]2CCC[N@H+]2C(C)C)cn1 ZINC000072211665 385071681 /nfs/dbraw/zinc/07/16/81/385071681.db2.gz QCYODRFILJSDMQ-LBPRGKRZSA-N 1 1 220.316 2.636 40 0 BFABMO Cc1ccncc1[C@@H]1CCC[N@@H+]1C(C)C ZINC000072211397 385072208 /nfs/dbraw/zinc/07/22/08/385072208.db2.gz BEXLAFMLXBPSPS-ZDUSSCGKSA-N 1 1 204.317 2.935 40 0 BFABMO CC(C)C[N@H+]1CCC[C@H]1c1ccc[nH]c1=O ZINC000072212310 385076848 /nfs/dbraw/zinc/07/68/48/385076848.db2.gz QBZJSACNVMFYHP-LBPRGKRZSA-N 1 1 220.316 2.580 40 0 BFABMO CCN(C)c1ncccc1[C@@H]1CCCC[N@H+]1C ZINC000072212790 385078274 /nfs/dbraw/zinc/07/82/74/385078274.db2.gz DLXGNZADGKYYIG-ZDUSSCGKSA-N 1 1 233.359 2.695 40 0 BFABMO CCN(CC)c1ccc([C@H]2CCC[N@H+]2C)cn1 ZINC000072212822 385079278 /nfs/dbraw/zinc/07/92/78/385079278.db2.gz FOQKKGFZDRJLOB-CYBMUJFWSA-N 1 1 233.359 2.695 40 0 BFABMO Cc1cc(NC(C)(C)C)[nH+]cc1[C@H](C)O ZINC000072223971 385115908 /nfs/dbraw/zinc/11/59/08/385115908.db2.gz OEDWFMHIWMEVNR-VIFPVBQESA-N 1 1 208.305 2.654 40 0 BFABMO CCCn1cc(CNc2[nH+]cccc2C)cn1 ZINC000072226608 385127628 /nfs/dbraw/zinc/12/76/28/385127628.db2.gz DUSBYNAVZCHCFC-UHFFFAOYSA-N 1 1 230.315 2.609 40 0 BFABMO CC[N@H+]1CCC[C@@H]1c1ccc(=S)[nH]c1 ZINC000072216992 385097904 /nfs/dbraw/zinc/09/79/04/385097904.db2.gz CVLYDEHHZLVASQ-SNVBAGLBSA-N 1 1 208.330 2.527 40 0 BFABMO CC[N@H+]1CCCC[C@@H]1c1ccc[nH]c1=S ZINC000072217077 385098743 /nfs/dbraw/zinc/09/87/43/385098743.db2.gz JKQZEQWWDHVWOR-LLVKDONJSA-N 1 1 222.357 2.917 40 0 BFABMO CC[N@H+]1CCC[C@H]1c1c[nH]c(=S)cc1C ZINC000072218312 385100563 /nfs/dbraw/zinc/10/05/63/385100563.db2.gz NRHSZPMBMGYJGW-NSHDSACASA-N 1 1 222.357 2.836 40 0 BFABMO Cc1[nH]c(=O)ccc1[C@H]1CCC[N@@H+]1CC(C)C ZINC000072218204 385102027 /nfs/dbraw/zinc/10/20/27/385102027.db2.gz LDRCQUSDWKNCML-CYBMUJFWSA-N 1 1 234.343 2.889 40 0 BFABMO Cc1cc(N(C)C)ncc1[C@@H]1CCCC[N@H+]1C ZINC000072218694 385105022 /nfs/dbraw/zinc/10/50/22/385105022.db2.gz DQEMMSZSOUZWSW-ZDUSSCGKSA-N 1 1 233.359 2.613 40 0 BFABMO NC[C@@H]1CCCC[N@@H+]1CC1(c2ccccc2)CC1 ZINC000096523583 385266576 /nfs/dbraw/zinc/26/65/76/385266576.db2.gz GWNXUDVTZDWXEF-HNNXBMFYSA-N 1 1 244.382 2.531 40 0 BFABMO NC[C@@H]1CCCC[N@H+]1CC1(c2ccccc2)CC1 ZINC000096523583 385266583 /nfs/dbraw/zinc/26/65/83/385266583.db2.gz GWNXUDVTZDWXEF-HNNXBMFYSA-N 1 1 244.382 2.531 40 0 BFABMO NC[C@H]1CCCC[N@@H+]1CCCC1CCCC1 ZINC000096523608 385266608 /nfs/dbraw/zinc/26/66/08/385266608.db2.gz XCTMDUXGPXQKCX-CQSZACIVSA-N 1 1 224.392 2.770 40 0 BFABMO NC[C@H]1CCCC[N@H+]1CCCC1CCCC1 ZINC000096523608 385266618 /nfs/dbraw/zinc/26/66/18/385266618.db2.gz XCTMDUXGPXQKCX-CQSZACIVSA-N 1 1 224.392 2.770 40 0 BFABMO CS[C@H]1CC[C@H]([N@@H+](C)C[C@@H]2CCCCO2)C1 ZINC000110641711 385441400 /nfs/dbraw/zinc/44/14/00/385441400.db2.gz FGZKQWBWHRJSSX-AVGNSLFASA-N 1 1 243.416 2.771 40 0 BFABMO Cc1c[nH]c([C@H]2CC[N@H+](C3CCCCC3)C2)n1 ZINC000257249977 385755523 /nfs/dbraw/zinc/75/55/23/385755523.db2.gz JKMFZSIAPSHSCZ-LBPRGKRZSA-N 1 1 233.359 2.840 40 0 BFABMO Cc1cc(C)nc([C@@H]2CC[N@@H+](CC3CCC3)C2)n1 ZINC000257231348 385756002 /nfs/dbraw/zinc/75/60/02/385756002.db2.gz GGGZFCDZORDENU-CQSZACIVSA-N 1 1 245.370 2.683 40 0 BFABMO Cc1cc(-c2cccc([C@@H]3CCC[N@@H+]3C)n2)n[nH]1 ZINC000257301183 385760443 /nfs/dbraw/zinc/76/04/43/385760443.db2.gz RXILUVADEOGYKW-AWEZNQCLSA-N 1 1 242.326 2.547 40 0 BFABMO Cc1cc(-c2cccc([C@H]3CCC[N@@H+]3C)n2)n[nH]1 ZINC000257301184 385761128 /nfs/dbraw/zinc/76/11/28/385761128.db2.gz RXILUVADEOGYKW-CQSZACIVSA-N 1 1 242.326 2.547 40 0 BFABMO Cc1ccc(C[N@H+]2CC[C@H](c3cc[nH]n3)C2)cc1 ZINC000257302885 385762396 /nfs/dbraw/zinc/76/23/96/385762396.db2.gz SEVHHAWUTURHOY-AWEZNQCLSA-N 1 1 241.338 2.708 40 0 BFABMO Cc1ccc(C[N@@H+]2CC[C@H](c3ccn[nH]3)C2)cc1 ZINC000257302885 385762401 /nfs/dbraw/zinc/76/24/01/385762401.db2.gz SEVHHAWUTURHOY-AWEZNQCLSA-N 1 1 241.338 2.708 40 0 BFABMO Cc1ccc(C[N@H+]2CC[C@H](c3ccn[nH]3)C2)cc1 ZINC000257302885 385762408 /nfs/dbraw/zinc/76/24/08/385762408.db2.gz SEVHHAWUTURHOY-AWEZNQCLSA-N 1 1 241.338 2.708 40 0 BFABMO C[NH2+][C@@H](c1ccc(Cl)cc1)N1CCCC1 ZINC000261506753 385816128 /nfs/dbraw/zinc/81/61/28/385816128.db2.gz ARKCSVUBXILPLL-GFCCVEGCSA-N 1 1 224.735 2.654 40 0 BFABMO CS[C@H]1CC[C@@H]([N@@H+](C)C[C@@H]2CCCCO2)C1 ZINC000096441610 385941459 /nfs/dbraw/zinc/94/14/59/385941459.db2.gz FGZKQWBWHRJSSX-AGIUHOORSA-N 1 1 243.416 2.771 40 0 BFABMO C[C@H](c1ccccc1)[N@@H+]1CCN[C@H]2CCCC[C@H]21 ZINC000252515302 388653805 /nfs/dbraw/zinc/65/38/05/388653805.db2.gz IGOISJROXVLNGR-VNQPRFMTSA-N 1 1 244.382 2.964 40 0 BFABMO C[C@H](c1ccccc1)[N@H+]1CCN[C@H]2CCCC[C@H]21 ZINC000252515302 388653808 /nfs/dbraw/zinc/65/38/08/388653808.db2.gz IGOISJROXVLNGR-VNQPRFMTSA-N 1 1 244.382 2.964 40 0 BFABMO C1CCC([NH+]2CCN([C@@H]3C[C@H]4CC[C@@H]3C4)CC2)C1 ZINC000019831959 388747822 /nfs/dbraw/zinc/74/78/22/388747822.db2.gz DNNZFCPRPFOCHG-SQWLQELKSA-N 1 1 248.414 2.735 40 0 BFABMO C[C@@H]([NH3+])c1nc(-c2ccc(C(C)(C)C)cc2)n[nH]1 ZINC000082510278 388727435 /nfs/dbraw/zinc/72/74/35/388727435.db2.gz OSGKVOMRMNTDFJ-SECBINFHSA-N 1 1 244.342 2.789 40 0 BFABMO Cc1ccc(C[N@@H+]2CCN[C@@H]3CCCC[C@@H]32)cc1 ZINC000225712050 388840144 /nfs/dbraw/zinc/84/01/44/388840144.db2.gz VHXZCDVILTXYHM-CVEARBPZSA-N 1 1 244.382 2.711 40 0 BFABMO Cc1ccc(C[N@H+]2CCN[C@@H]3CCCC[C@@H]32)cc1 ZINC000225712050 388840149 /nfs/dbraw/zinc/84/01/49/388840149.db2.gz VHXZCDVILTXYHM-CVEARBPZSA-N 1 1 244.382 2.711 40 0 BFABMO Cc1ncc(C[N@H+](C)C2CCC(C)CC2)cn1 ZINC000335311638 136029480 /nfs/dbraw/zinc/02/94/80/136029480.db2.gz KUUZYJQCLHWUIK-UHFFFAOYSA-N 1 1 233.359 2.796 40 0 BFABMO CC[NH+](CC)[C@@H](C)CNCc1ccccc1 ZINC000022073550 169795658 /nfs/dbraw/zinc/79/56/58/169795658.db2.gz GHYOQHQWUGEZDX-ZDUSSCGKSA-N 1 1 220.360 2.507 40 0 BFABMO C[N@H+]1CCC[C@@H]1Cc1c[nH]c2ccccc12 ZINC000028397608 173032953 /nfs/dbraw/zinc/03/29/53/173032953.db2.gz HCTCDEAMCNSARD-GFCCVEGCSA-N 1 1 214.312 2.805 40 0 BFABMO C[N@H+]1CC[C@H](c2nc3ccccc3s2)C1 ZINC000049168932 173157433 /nfs/dbraw/zinc/15/74/33/173157433.db2.gz CKWCOCJRMUMBCD-VIFPVBQESA-N 1 1 218.325 2.715 40 0 biogenic,in-vitro BFABMO COc1cc2c(cc1O)[C@@H](CC(C)C)[N@@H+](C)CC2 ZINC000000898698 175023279 /nfs/dbraw/zinc/02/32/79/175023279.db2.gz GEHUGSUAESFIIV-CYBMUJFWSA-N 1 1 249.354 2.976 40 0 in-vitro BFABMO C[C@@H]1CCC[N@@H+](CCC(=O)c2ccccc2)C1 ZINC000001685730 176096194 /nfs/dbraw/zinc/09/61/94/176096194.db2.gz PWJRCBZVIFAULR-CYBMUJFWSA-N 1 1 231.339 2.991 40 0 BFABMO C[C@H]1CCCC[N@H+]1Cc1ccccc1C=O ZINC000095738623 177076976 /nfs/dbraw/zinc/07/69/76/177076976.db2.gz BJRKTLFXFDUBEW-LBPRGKRZSA-N 1 1 217.312 2.874 40 0 BFABMO C[C@H]1CCC[N@@H+](Cc2cccc(O)c2)C1 ZINC000039619532 177102387 /nfs/dbraw/zinc/10/23/87/177102387.db2.gz QVDQDDRCNWEBIU-NSHDSACASA-N 1 1 205.301 2.624 40 0 BFABMO C/C(=C\c1ccccc1)C[N@H+]1CC[C@H](O)C1(C)C ZINC000462871954 527533738 /nfs/dbraw/zinc/53/37/38/527533738.db2.gz RSGAYMCHNRSTSG-FQNOHDAGSA-N 1 1 245.366 2.935 40 0 BFABMO Cc1ccc([C@@]2(O)C[C@H](C)[N@H+](C)C[C@@H]2C)c(C)c1 ZINC000000051423 398145851 /nfs/dbraw/zinc/14/58/51/398145851.db2.gz BNPBCKRXUQEEPS-OFQRWUPVSA-N 1 1 247.382 2.851 40 0 BFABMO Cc1cc(NCC[NH3+])c2ccc(Cl)c(C)c2n1 ZINC000222688148 178161019 /nfs/dbraw/zinc/16/10/19/178161019.db2.gz DRYANAUSEMYMEK-UHFFFAOYSA-N 1 1 249.745 2.876 40 0 BFABMO Cc1cc(Nc2cccc(Cl)c2)nc(N)[nH+]1 ZINC000001679313 178193536 /nfs/dbraw/zinc/19/35/36/178193536.db2.gz KHXGRDXFRACHSV-UHFFFAOYSA-N 1 1 234.690 2.764 40 0 BFABMO CC[N@H+]1CCCC[C@@H]1c1cccc(C)n1 ZINC000072211093 259317408 /nfs/dbraw/zinc/31/74/08/259317408.db2.gz SIEIWTTUOGNWLC-CYBMUJFWSA-N 1 1 204.317 2.937 40 0 BFABMO CC(C)C[N@H+]1CCC[C@H]1c1cccnc1N(C)C ZINC000072212660 259317474 /nfs/dbraw/zinc/31/74/74/259317474.db2.gz NHLDKYKNWHRIKJ-AWEZNQCLSA-N 1 1 247.386 2.941 40 0 BFABMO CNc1ncc([C@H]2CCC[N@H+]2C(C)C)cc1C ZINC000072218980 259318509 /nfs/dbraw/zinc/31/85/09/259318509.db2.gz MWBAQYPQKMEVOM-CYBMUJFWSA-N 1 1 233.359 2.977 40 0 BFABMO C[N@@H+]1CC=C(c2ccc3[nH]ccc3c2)CC1 ZINC000002526994 342722636 /nfs/dbraw/zinc/72/26/36/342722636.db2.gz NLIAPQZSGWHLDK-UHFFFAOYSA-N 1 1 212.296 2.887 40 0 BFABMO CCC[N@H+]1CCCC[C@@H]1c1cnc(N)cc1C ZINC000072218518 259318274 /nfs/dbraw/zinc/31/82/74/259318274.db2.gz UFYAJXSBHKJIKJ-CYBMUJFWSA-N 1 1 233.359 2.909 40 0 BFABMO CC[N@H+]1CCCC[C@H]1c1ccc(N)nc1C ZINC000072218577 259318369 /nfs/dbraw/zinc/31/83/69/259318369.db2.gz JWFCXPDYZNTVNG-LBPRGKRZSA-N 1 1 219.332 2.519 40 0 BFABMO CCSc1ccc([C@@H]2CCC[N@H+]2C)cn1 ZINC000072217106 259318469 /nfs/dbraw/zinc/31/84/69/259318469.db2.gz DSJLMKGUDSTHKA-NSHDSACASA-N 1 1 222.357 2.960 40 0 BFABMO Cc1cccc(CNc2cccc(C)[nH+]2)n1 ZINC000005487124 342764939 /nfs/dbraw/zinc/76/49/39/342764939.db2.gz GLKLXYMSKJJNMD-UHFFFAOYSA-N 1 1 213.284 2.706 40 0 BFABMO C[C@H](c1ccccc1)[N@@H+]1CCN[C@H]2CCC[C@H]21 ZINC000242495620 398317696 /nfs/dbraw/zinc/31/76/96/398317696.db2.gz GLGPYQCXXCTFDK-VHDGCEQUSA-N 1 1 230.355 2.574 40 0 BFABMO C[C@H](c1ccccc1)[N@H+]1CCN[C@H]2CCC[C@H]21 ZINC000242495620 398317699 /nfs/dbraw/zinc/31/76/99/398317699.db2.gz GLGPYQCXXCTFDK-VHDGCEQUSA-N 1 1 230.355 2.574 40 0 BFABMO CC1=CO[C@](C)([C@H]2NC(C)(C)C[C@H](C)[NH2+]2)CC1 ZINC000019325714 342945742 /nfs/dbraw/zinc/94/57/42/342945742.db2.gz OCRUJCNPOFTYIS-SCRDCRAPSA-N 1 1 238.375 2.535 40 0 BFABMO C[C@H](CNCc1ccccc1)[NH+]1CCCCC1 ZINC000022073582 343039599 /nfs/dbraw/zinc/03/95/99/343039599.db2.gz OMRDQGFKLZHQKN-CQSZACIVSA-N 1 1 232.371 2.651 40 0 BFABMO Cc1ccc2nc(C[NH2+]C(C)(C)C)[nH]c2c1 ZINC000022122051 343040380 /nfs/dbraw/zinc/04/03/80/343040380.db2.gz ZQBYCHKILJOXGZ-UHFFFAOYSA-N 1 1 217.316 2.759 40 0 BFABMO CC[C@@H](c1ccccc1)[N@@H+](CCN)C(C)C ZINC000079421238 343400256 /nfs/dbraw/zinc/40/02/56/343400256.db2.gz OGQBHXGLPYWSKR-AWEZNQCLSA-N 1 1 220.360 2.807 40 0 BFABMO CC[C@@H](c1ccccc1)N(CC[NH3+])C(C)C ZINC000079421238 343400263 /nfs/dbraw/zinc/40/02/63/343400263.db2.gz OGQBHXGLPYWSKR-AWEZNQCLSA-N 1 1 220.360 2.807 40 0 BFABMO Nc1cc(Nc2ccccc2F)nc(C2CC2)[nH+]1 ZINC000049467590 343599042 /nfs/dbraw/zinc/59/90/42/343599042.db2.gz GMSLQGAVJUVYSK-UHFFFAOYSA-N 1 1 244.273 2.819 40 0 BFABMO CCC[C@]12C=CC=CC1=[NH+]C=C2CCO ZINC000095932374 537871405 /nfs/dbraw/zinc/87/14/05/537871405.db2.gz ZFDJODJOODCWCI-CYBMUJFWSA-N 1 1 203.285 2.620 40 0 BFABMO Cc1cccc(Cl)c1C[N@H+]1CCC[C@H](O)C1 ZINC000038539935 179107813 /nfs/dbraw/zinc/10/78/13/179107813.db2.gz QVIVASKIAZEIDU-NSHDSACASA-N 1 1 239.746 2.605 40 0 BFABMO Cc1ccccc1[C@H](CN)[N@H+]1CCC[C@H](C)C1 ZINC000022172747 179342339 /nfs/dbraw/zinc/34/23/39/179342339.db2.gz WDJXNZUPDHCAGE-WFASDCNBSA-N 1 1 232.371 2.727 40 0 BFABMO Cc1ccccc1[C@H](C[NH3+])N1CCC[C@H](C)C1 ZINC000022172747 179342342 /nfs/dbraw/zinc/34/23/42/179342342.db2.gz WDJXNZUPDHCAGE-WFASDCNBSA-N 1 1 232.371 2.727 40 0 BFABMO Cc1nc([C@@H]2CC[N@H+](C(C)C)C2)c2sccn12 ZINC000257287950 180044681 /nfs/dbraw/zinc/04/46/81/180044681.db2.gz PSESOMSGLPJHRU-LLVKDONJSA-N 1 1 249.383 2.902 40 0 BFABMO Cc1[nH+]c2ccc(N)cc2n1CC(C)C ZINC000114233000 180092869 /nfs/dbraw/zinc/09/28/69/180092869.db2.gz JAMJWLQYTUROTL-UHFFFAOYSA-N 1 1 203.289 2.583 40 0 BFABMO CC(C)C[N@H+]1CCC[C@H]1c1cccnc1 ZINC000038251933 350311298 /nfs/dbraw/zinc/31/12/98/350311298.db2.gz GLJJMSCSMAMGLB-ZDUSSCGKSA-N 1 1 204.317 2.875 40 0 BFABMO CC[N@H+]1CCC[C@@H]1c1ccccc1OC ZINC000069084135 350322786 /nfs/dbraw/zinc/32/27/86/350322786.db2.gz RUQZDAUERWDMOB-GFCCVEGCSA-N 1 1 205.301 2.852 40 0 BFABMO CC(C)[N@@H+](CCO)Cc1cccc(Cl)c1 ZINC000049824758 188298639 /nfs/dbraw/zinc/29/86/39/188298639.db2.gz AWHDPRILFYIXJY-UHFFFAOYSA-N 1 1 227.735 2.543 40 0 BFABMO CNc1nccnc1[C@H]1CCC[N@H+]1C1CCCC1 ZINC000072356829 188306696 /nfs/dbraw/zinc/30/66/96/188306696.db2.gz FBDGPSCCAKMSML-GFCCVEGCSA-N 1 1 246.358 2.598 40 0 BFABMO c1cc(C[N@H+]2CC[C@H]2C2CC2)nc2c1CCC2 ZINC000334646398 354436212 /nfs/dbraw/zinc/43/62/12/354436212.db2.gz XDFOEXQZTYSFCU-HNNXBMFYSA-N 1 1 228.339 2.555 40 0 BFABMO CCSc1ncccc1[C@@H]1CCC[N@H+]1C ZINC000072217166 259528195 /nfs/dbraw/zinc/52/81/95/259528195.db2.gz VDBAEEACDVEACM-NSHDSACASA-N 1 1 222.357 2.960 40 0 BFABMO [NH3+]CCCc1nc2ccc3ccccc3c2[nH]1 ZINC000003902914 181387292 /nfs/dbraw/zinc/38/72/92/181387292.db2.gz HQTREVIGZPXNFG-UHFFFAOYSA-N 1 1 225.295 2.607 40 0 BFABMO Cc1cccc(C(=O)[C@@H](C)[NH+]2CCCC2)c1 ZINC000095705031 371334211 /nfs/dbraw/zinc/33/42/11/371334211.db2.gz BYYSWQHJMWVSGB-GFCCVEGCSA-N 1 1 217.312 2.662 40 0 in-vitro BFABMO CCC[N@@H+](CC)Cc1ccc2c(c1)OCO2 ZINC000001711276 169129326 /nfs/dbraw/zinc/12/93/26/169129326.db2.gz AMIRENJMMNGDTE-UHFFFAOYSA-N 1 1 221.300 2.647 40 0 BFABMO c1ccc2c(c1)[nH]c1[nH+]c3c(n21)CCCC3 ZINC000000127798 183455760 /nfs/dbraw/zinc/45/57/60/183455760.db2.gz DBTXMHWFERLARX-UHFFFAOYSA-N 1 1 211.268 2.694 40 0 BFABMO CN(C)CCC[N@@H+]1C[C@H]2CC[C@@](C)(C1)C2(C)C ZINC000001694697 383926495 /nfs/dbraw/zinc/92/64/95/383926495.db2.gz XOLYOIFACSAJQL-HIFRSBDPSA-N 1 1 238.419 2.696 40 0 BFABMO CN(C)CCC[N@H+]1C[C@H]2CC[C@@](C)(C1)C2(C)C ZINC000001694697 383926502 /nfs/dbraw/zinc/92/65/02/383926502.db2.gz XOLYOIFACSAJQL-HIFRSBDPSA-N 1 1 238.419 2.696 40 0 BFABMO Cc1cc([C@@H]2CCC[N@@H+]2C)cnc1Cl ZINC000035032841 384012196 /nfs/dbraw/zinc/01/21/96/384012196.db2.gz WMIQGBVZWHDJSW-JTQLQIEISA-N 1 1 210.708 2.810 40 0 BFABMO CC(C)[N@@H+](CCO)[C@@H](C)c1ccc(F)cc1 ZINC000079421185 384142645 /nfs/dbraw/zinc/14/26/45/384142645.db2.gz SXDVVOOBFIYEPC-NSHDSACASA-N 1 1 225.307 2.589 40 0 BFABMO Cc1ccnc([C@H]2CCC[N@H+]2C2CCCC2)n1 ZINC000072356823 384209986 /nfs/dbraw/zinc/20/99/86/384209986.db2.gz FUAFOOKKABMJNC-CYBMUJFWSA-N 1 1 231.343 2.865 40 0 BFABMO c1cnc([C@H]2CCC[N@H+](C3CCCCC3)C2)cn1 ZINC000072356836 384210550 /nfs/dbraw/zinc/21/05/50/384210550.db2.gz KRPZWHPSIRBIAS-ZDUSSCGKSA-N 1 1 245.370 2.989 40 0 BFABMO Cc1c[nH]nc1[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000072381185 384216867 /nfs/dbraw/zinc/21/68/67/384216867.db2.gz ZAGPQDQNUXCXGA-GFCCVEGCSA-N 1 1 233.359 2.840 40 0 BFABMO Cc1ccc(C[N@H+]2CC[C@@H]3O[C@@H](C)C[C@H]3C2)o1 ZINC000096045893 384427690 /nfs/dbraw/zinc/42/76/90/384427690.db2.gz ZODZELNZTXHJGJ-OBJOEFQTSA-N 1 1 235.327 2.587 40 0 BFABMO CC[N@H+]1CCC[C@@H]1c1cccnc1NC1CC1 ZINC000072213709 385084581 /nfs/dbraw/zinc/08/45/81/385084581.db2.gz DYSWJCJBFNZTGU-CYBMUJFWSA-N 1 1 231.343 2.813 40 0 BFABMO CC[N@H+]1CCCC[C@H]1c1cnccc1C ZINC000072211412 385070860 /nfs/dbraw/zinc/07/08/60/385070860.db2.gz OCBQVIINUVILRE-ZDUSSCGKSA-N 1 1 204.317 2.937 40 0 BFABMO CC[N@H+]1CCCC[C@H]1c1ccc(OC)nc1 ZINC000072211680 385071025 /nfs/dbraw/zinc/07/10/25/385071025.db2.gz UPDMWTHFYWSOKG-LBPRGKRZSA-N 1 1 220.316 2.637 40 0 BFABMO CCC[N@H+]1CCC[C@@H]1c1ccc(OC)nc1 ZINC000072211666 385072893 /nfs/dbraw/zinc/07/28/93/385072893.db2.gz DDWBXFINMMRYCA-GFCCVEGCSA-N 1 1 220.316 2.637 40 0 BFABMO COc1ccc([C@H]2CCC[N@H+]2CC(C)C)cn1 ZINC000072211668 385073151 /nfs/dbraw/zinc/07/31/51/385073151.db2.gz WVUHJHBZFIDQHW-CYBMUJFWSA-N 1 1 234.343 2.883 40 0 BFABMO CC(C)C[N@H+]1CCCC[C@@H]1c1ccc(=O)[nH]c1 ZINC000072212270 385074574 /nfs/dbraw/zinc/07/45/74/385074574.db2.gz LXYCHSJMKXXIMC-CYBMUJFWSA-N 1 1 234.343 2.970 40 0 BFABMO CCCNc1ccc([C@H]2CCC[N@H+]2C)cn1 ZINC000072213180 385078811 /nfs/dbraw/zinc/07/88/11/385078811.db2.gz ANRZTGYRVNMBNP-GFCCVEGCSA-N 1 1 219.332 2.670 40 0 BFABMO Cc1[nH+]c(N2CCCCCC2)ccc1[C@@H](C)O ZINC000072224571 385118139 /nfs/dbraw/zinc/11/81/39/385118139.db2.gz WQHMJWWHMPXONV-GFCCVEGCSA-N 1 1 234.343 2.824 40 0 BFABMO CC[N@H+]1CCC[C@@H]1c1ccc(N2CCCC2)nc1 ZINC000072215913 385092372 /nfs/dbraw/zinc/09/23/72/385092372.db2.gz IFEKFTISBAILNF-CQSZACIVSA-N 1 1 245.370 2.839 40 0 BFABMO CC[N@H+]1CCCC[C@H]1c1ccc(=S)[nH]c1 ZINC000072217018 385097165 /nfs/dbraw/zinc/09/71/65/385097165.db2.gz CJJQIHJYHCZXNL-NSHDSACASA-N 1 1 222.357 2.917 40 0 BFABMO CNc1cc(C)c([C@@H]2CCCC[N@H+]2C)cn1 ZINC000072219054 385104786 /nfs/dbraw/zinc/10/47/86/385104786.db2.gz LCDOBOOQBQQVBE-LBPRGKRZSA-N 1 1 219.332 2.589 40 0 BFABMO C[N@H+]1CCC[C@H]1c1ccc2[nH]ccc2c1 ZINC000072221718 385106576 /nfs/dbraw/zinc/10/65/76/385106576.db2.gz VGTWTHZUHFDFKP-ZDUSSCGKSA-N 1 1 200.285 2.935 40 0 BFABMO Cc1ccccc1[C@H](CN)[N@H+]1CCC[C@@H](C)C1 ZINC000022172743 385685961 /nfs/dbraw/zinc/68/59/61/385685961.db2.gz WDJXNZUPDHCAGE-DOMZBBRYSA-N 1 1 232.371 2.727 40 0 BFABMO Cc1ccccc1[C@H](C[NH3+])N1CCC[C@@H](C)C1 ZINC000022172743 385685967 /nfs/dbraw/zinc/68/59/67/385685967.db2.gz WDJXNZUPDHCAGE-DOMZBBRYSA-N 1 1 232.371 2.727 40 0 BFABMO Cc1ccc(C[N@H+]2CC[C@@H](c3cc[nH]n3)C2)s1 ZINC000257322495 385763459 /nfs/dbraw/zinc/76/34/59/385763459.db2.gz WGEZRWQBRIUZRP-LLVKDONJSA-N 1 1 247.367 2.769 40 0 BFABMO Cc1ccc(C[N@@H+]2CC[C@@H](c3ccn[nH]3)C2)s1 ZINC000257322495 385763464 /nfs/dbraw/zinc/76/34/64/385763464.db2.gz WGEZRWQBRIUZRP-LLVKDONJSA-N 1 1 247.367 2.769 40 0 BFABMO Cc1ccc(C[N@H+]2CC[C@@H](c3ccn[nH]3)C2)s1 ZINC000257322495 385763470 /nfs/dbraw/zinc/76/34/70/385763470.db2.gz WGEZRWQBRIUZRP-LLVKDONJSA-N 1 1 247.367 2.769 40 0 BFABMO C[C@@H]([NH3+])c1nc(-c2c(F)cccc2Cl)no1 ZINC000019785466 385950732 /nfs/dbraw/zinc/95/07/32/385950732.db2.gz HCPRVGSZUGPTNY-RXMQYKEDSA-N 1 1 241.653 2.549 40 0 BFABMO CC(C)CN(CC(C)C)C[C@H]1CCCC[NH2+]1 ZINC000042034604 387293378 /nfs/dbraw/zinc/29/33/78/387293378.db2.gz IJDXGAVNCZTKGD-CQSZACIVSA-N 1 1 226.408 2.743 40 0 BFABMO C([C@H]1CCCC[NH2+]1)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC000216241950 388354536 /nfs/dbraw/zinc/35/45/36/388354536.db2.gz SMFJJXNFNWYQPN-RRFJBIMHSA-N 1 1 236.403 2.641 40 0 BFABMO [NH3+][C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc(Cl)c1 ZINC000072411152 388639839 /nfs/dbraw/zinc/63/98/39/388639839.db2.gz JHYUHPXZSRIESE-OLZOCXBDSA-N 1 1 238.762 2.700 40 0 BFABMO CC[C@H](C)[C@H]([NH3+])CN1CCCCCCC1 ZINC000020266209 388762428 /nfs/dbraw/zinc/76/24/28/388762428.db2.gz YNWDMNUQHPRGFR-QWHCGFSZSA-N 1 1 212.381 2.626 40 0 BFABMO CC1=C[C@@H](C)[C@H](C[NH2+]CCCN(C)C)[C@@H](C)C1 ZINC000004612811 168124620 /nfs/dbraw/zinc/12/46/20/168124620.db2.gz TZIMJQBDMVLZIZ-ILXRZTDVSA-N 1 1 238.419 2.766 40 0 BFABMO CC1CC[NH+](CC(=O)c2ccccc2)CC1 ZINC000001683155 168178809 /nfs/dbraw/zinc/17/88/09/168178809.db2.gz NXTPCGSVGBLUDI-UHFFFAOYSA-N 1 1 217.312 2.601 40 0 BFABMO CC[NH2+]C[C@H]1CCCN(Cc2ccccc2)C1 ZINC000053654031 170123026 /nfs/dbraw/zinc/12/30/26/170123026.db2.gz SXJSLWBWMPKLCP-OAHLLOKOSA-N 1 1 232.371 2.508 40 0 BFABMO C[N@H+]1CCC[C@@H]2c3ccccc3CC[C@@H]21 ZINC000005395513 173036484 /nfs/dbraw/zinc/03/64/84/173036484.db2.gz CAIZFPWDMVYDRN-KGLIPLIRSA-N 1 1 201.313 2.811 40 0 BFABMO C[NH2+]CCCNc1cc(C)nc2ccc(F)cc21 ZINC000222687072 173349610 /nfs/dbraw/zinc/34/96/10/173349610.db2.gz IEABHXNSRNAGLI-UHFFFAOYSA-N 1 1 247.317 2.704 40 0 BFABMO COCC[N@H+]1CCc2sccc2[C@@H]1C1CC1 ZINC000072350993 174315415 /nfs/dbraw/zinc/31/54/15/174315415.db2.gz JDWAELZTSBCRGH-ZDUSSCGKSA-N 1 1 237.368 2.704 40 0 BFABMO COc1cc2c(cc1O)[C@H](CC(C)C)[N@@H+](C)CC2 ZINC000001531503 175023643 /nfs/dbraw/zinc/02/36/43/175023643.db2.gz GEHUGSUAESFIIV-ZDUSSCGKSA-N 1 1 249.354 2.976 40 0 in-vitro BFABMO C[C@@H]1CCC2(C1)CC[NH+](CCCN(C)C)CC2 ZINC000004958226 176062502 /nfs/dbraw/zinc/06/25/02/176062502.db2.gz QGHXAGOEEIKNCZ-CQSZACIVSA-N 1 1 238.419 2.840 40 0 BFABMO C[C@@H]1CCCCC[N@H+]1CCN1CCCCC1 ZINC000022580428 176063855 /nfs/dbraw/zinc/06/38/55/176063855.db2.gz YZYCPFNFIWJCEO-CQSZACIVSA-N 1 1 224.392 2.737 40 0 BFABMO C[C@@H]1CCC[N@@H+](Cc2cccc(C=O)c2)C1 ZINC000095738627 176102178 /nfs/dbraw/zinc/10/21/78/176102178.db2.gz GPHCWOBTESBVSS-GFCCVEGCSA-N 1 1 217.312 2.731 40 0 BFABMO C[C@H](c1cccc(Cl)c1)[N@H+]1CCC[C@@H](O)C1 ZINC000100213376 177037009 /nfs/dbraw/zinc/03/70/09/177037009.db2.gz JWCOLZVFSATOJX-ZWNOBZJWSA-N 1 1 239.746 2.858 40 0 BFABMO C[C@H]1CCC[N@@H+](Cc2ccc(C=O)cc2)C1 ZINC000095738626 177102092 /nfs/dbraw/zinc/10/20/92/177102092.db2.gz SNIOBGRBIBSYSZ-LBPRGKRZSA-N 1 1 217.312 2.731 40 0 BFABMO C[C@H]1C[C@@H]2CC[N@@H+](Cc3ccsc3)C[C@H]2O1 ZINC000096062527 177352682 /nfs/dbraw/zinc/35/26/82/177352682.db2.gz QUGNTGNTMVNZJK-WCFLWFBJSA-N 1 1 237.368 2.747 40 0 BFABMO CC[C@H]1Cc2[nH]ccc2[C@H](C(C)C)[N@H+]1C ZINC000260825812 323128582 /nfs/dbraw/zinc/12/85/82/323128582.db2.gz FJMCVKFCWPJSRX-GWCFXTLKSA-N 1 1 206.333 2.978 40 0 BFABMO CC(C)c1cccc(C(C)C)c1[C@H]([NH3+])CN ZINC000117198832 490151454 /nfs/dbraw/zinc/15/14/54/490151454.db2.gz VFSODTOUXYOMAM-CYBMUJFWSA-N 1 1 220.360 2.892 40 0 BFABMO Cc1cc(C[N@H+]2CC[C@@]3(CCCO3)C2)oc1C ZINC000096051025 178001836 /nfs/dbraw/zinc/00/18/36/178001836.db2.gz RVFBVGAJRGMHIA-AWEZNQCLSA-N 1 1 235.327 2.651 40 0 BFABMO Cc1cc(CN2C[C@@H]3CCC[N@@H+]3C[C@H]2C)oc1C ZINC000072324745 178006348 /nfs/dbraw/zinc/00/63/48/178006348.db2.gz FLHGHJKACAGEMC-OCCSQVGLSA-N 1 1 248.370 2.565 40 0 BFABMO Cc1cc(O)cc(C)c1NC1=[NH+]CCCS1 ZINC000044136428 178199299 /nfs/dbraw/zinc/19/92/99/178199299.db2.gz FXWQWFCVDXMJNM-UHFFFAOYSA-N 1 1 236.340 2.914 40 0 in-vitro BFABMO Cc1cc([C@@H]2CCC[N@H+](C(C)C)C2)ccn1 ZINC000072356964 178238869 /nfs/dbraw/zinc/23/88/69/178238869.db2.gz NYKUVWBCTZCOQA-CQSZACIVSA-N 1 1 218.344 2.978 40 0 BFABMO Cc1ccc(-c2ccc3c(c2)[C@@H]([NH3+])C(=O)N3)cc1 ZINC000254286884 178324905 /nfs/dbraw/zinc/32/49/05/178324905.db2.gz OGOQLZQTSIHECJ-CQSZACIVSA-N 1 1 238.290 2.614 40 0 BFABMO C[N@@H+](CCO)C(c1ccccc1)c1ccccc1 ZINC000001634202 342706476 /nfs/dbraw/zinc/70/64/76/342706476.db2.gz GEKHSCVXJBSBJC-UHFFFAOYSA-N 1 1 241.334 2.700 40 0 BFABMO Cc1cc(=S)[nH]cc1[C@@H]1CCCC[N@@H+]1C ZINC000072218334 259318070 /nfs/dbraw/zinc/31/80/70/259318070.db2.gz HTOWNSYZQDREPI-NSHDSACASA-N 1 1 222.357 2.836 40 0 BFABMO CC[N@H+]1CCCC[C@H]1c1ccc(=O)[nH]c1C ZINC000072218217 259318225 /nfs/dbraw/zinc/31/82/25/259318225.db2.gz BBDDJGVVYGISLQ-LBPRGKRZSA-N 1 1 220.316 2.643 40 0 BFABMO CC[N@H+]1CCCC[C@@H]1c1cnc(N)cc1C ZINC000072218516 259318351 /nfs/dbraw/zinc/31/83/51/259318351.db2.gz VGDPRRRFEUOXRE-GFCCVEGCSA-N 1 1 219.332 2.519 40 0 BFABMO CCC[N@H+]1CCCC[C@H]1c1cnc(N)c(C)c1 ZINC000072218459 259318404 /nfs/dbraw/zinc/31/84/04/259318404.db2.gz KMAUKBWMNNOMBJ-ZDUSSCGKSA-N 1 1 233.359 2.909 40 0 BFABMO C1CCC([N@H+]2CCN[C@H]3CCCC[C@H]32)CC1 ZINC000218827681 398328684 /nfs/dbraw/zinc/32/86/84/398328684.db2.gz KLNNTSMKRXXOKT-UONOGXRCSA-N 1 1 222.376 2.536 40 0 BFABMO CC(C)C[N@H+]1CCC[C@@H]1c1ccncc1 ZINC000072211033 344512412 /nfs/dbraw/zinc/51/24/12/344512412.db2.gz AZFOIOPEINNATJ-CYBMUJFWSA-N 1 1 204.317 2.875 40 0 BFABMO CCC[N@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000072211080 344512551 /nfs/dbraw/zinc/51/25/51/344512551.db2.gz ZRCBWIFFXKVSNT-ZDUSSCGKSA-N 1 1 204.317 2.937 40 0 BFABMO Cc1cccc(NC(=O)[C@@H]2CCC[N@H+](C)C2)c1C ZINC000082323061 179138617 /nfs/dbraw/zinc/13/86/17/179138617.db2.gz QUJXCEFJNPZIGO-CYBMUJFWSA-N 1 1 246.354 2.584 40 0 BFABMO Nc1ccc2c(c1)[nH+]cn2C1CCCC1 ZINC000009280464 346716457 /nfs/dbraw/zinc/71/64/57/346716457.db2.gz HGFNINHASOPOGJ-UHFFFAOYSA-N 1 1 201.273 2.734 40 0 BFABMO Cc1cccc([C@H](CN)[N@H+]2CCC[C@H](C)C2)c1 ZINC000019256147 179198912 /nfs/dbraw/zinc/19/89/12/179198912.db2.gz DZJHDJOAIHYPNT-ZFWWWQNUSA-N 1 1 232.371 2.727 40 0 BFABMO Cc1cccc([C@H](C[NH3+])N2CCC[C@H](C)C2)c1 ZINC000019256147 179198915 /nfs/dbraw/zinc/19/89/15/179198915.db2.gz DZJHDJOAIHYPNT-ZFWWWQNUSA-N 1 1 232.371 2.727 40 0 BFABMO Cc1ccccc1C[N@@H+](C)CCCCCCO ZINC000001693778 179269300 /nfs/dbraw/zinc/26/93/00/179269300.db2.gz NTGCYUFFMCJGQC-UHFFFAOYSA-N 1 1 235.371 2.980 40 0 BFABMO Cc1ccccc1CN1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000072324427 179276572 /nfs/dbraw/zinc/27/65/72/179276572.db2.gz SQOWSENQVLOOAZ-GOEBONIOSA-N 1 1 244.382 2.664 40 0 BFABMO Cc1nccc([C@@H]2CCC[N@H+](C3CCCC3)C2)n1 ZINC000072187777 180207586 /nfs/dbraw/zinc/20/75/86/180207586.db2.gz KZDIRAULYJKKAA-CYBMUJFWSA-N 1 1 245.370 2.907 40 0 BFABMO CCCC[C@H]1C[C@@H](O)C[N@H+]1CCC(C)C ZINC000217880967 188008193 /nfs/dbraw/zinc/00/81/93/188008193.db2.gz NFJLULSBDNGYRL-QWHCGFSZSA-N 1 1 213.365 2.658 40 0 BFABMO Cc1nn(C(C)C)cc1C[NH2+]Cc1ccco1 ZINC000256053920 188020699 /nfs/dbraw/zinc/02/06/99/188020699.db2.gz UDYHXVIVSFGXTG-UHFFFAOYSA-N 1 1 233.315 2.655 40 0 BFABMO CC(=O)CC[N@H+](C)[C@H](C)Cc1ccccc1 ZINC000001667116 188274256 /nfs/dbraw/zinc/27/42/56/188274256.db2.gz BLNTYGUDWBLSNZ-GFCCVEGCSA-N 1 1 219.328 2.529 40 0 BFABMO c1cc([C@H]2CCC[N@H+]2C2CCCCC2)n[nH]1 ZINC000072348435 188306542 /nfs/dbraw/zinc/30/65/42/188306542.db2.gz ULNDKEKWOUVJLM-CYBMUJFWSA-N 1 1 219.332 2.879 40 0 BFABMO CCCC[C@@H]1C[C@H](O)C[N@H+]1CCC(C)C ZINC000217881046 188356082 /nfs/dbraw/zinc/35/60/82/188356082.db2.gz NFJLULSBDNGYRL-OLZOCXBDSA-N 1 1 213.365 2.658 40 0 BFABMO Cc1[nH+]c2cc(C)c(N)cc2n1CC(C)C ZINC000223770268 188356447 /nfs/dbraw/zinc/35/64/47/188356447.db2.gz AAJYXIXJLAYTAU-UHFFFAOYSA-N 1 1 217.316 2.891 40 0 BFABMO CC[N@H+]1CCCCC[C@H]1[C@@H]1CCCC1=O ZINC000217464314 188355401 /nfs/dbraw/zinc/35/54/01/188355401.db2.gz XXBZXXWRTLZNRL-RYUDHWBXSA-N 1 1 209.333 2.620 40 0 BFABMO Cc1cnccc1[C@H]1CCC[N@@H+]1C(C)C ZINC000072219514 259530190 /nfs/dbraw/zinc/53/01/90/259530190.db2.gz QUHPHKYHNIPZAP-CYBMUJFWSA-N 1 1 204.317 2.935 40 0 BFABMO C[N@H+]1CCC[C@H](Cc2ccnc(Cl)c2)C1 ZINC000205698502 368360219 /nfs/dbraw/zinc/36/02/19/368360219.db2.gz NXWVIWWLDVFSCM-LLVKDONJSA-N 1 1 224.735 2.619 40 0 BFABMO CC[C@@H](C(=O)c1ccc(C)cc1)[NH+](C)C ZINC000095705015 371333678 /nfs/dbraw/zinc/33/36/78/371333678.db2.gz UKVFBTRCNFUOFU-LBPRGKRZSA-N 1 1 205.301 2.518 40 0 in-vitro BFABMO [NH3+]CC(F)(F)Sc1cccc(Cl)c1 ZINC000131750583 371665832 /nfs/dbraw/zinc/66/58/32/371665832.db2.gz KBRRNWAHCKKRGF-UHFFFAOYSA-N 1 1 223.675 2.984 40 0 BFABMO c1cn(-c2ccccc2)c([C@H]2C3CC[NH+]2CC3)n1 ZINC000002027822 183386701 /nfs/dbraw/zinc/38/67/01/183386701.db2.gz HUQILDYSLYZCSP-CQSZACIVSA-N 1 1 239.322 2.639 40 0 BFABMO CC(=O)[C@@]1(c2ccccc2)CCC[N@H+](C)CC1 ZINC000001618262 383912362 /nfs/dbraw/zinc/91/23/62/383912362.db2.gz VSAAQIAFGFUKFJ-OAHLLOKOSA-N 1 1 231.339 2.629 40 0 BFABMO [NH3+]Cc1nc(-c2c(Cl)cccc2Cl)no1 ZINC000073640727 384028866 /nfs/dbraw/zinc/02/88/66/384028866.db2.gz LOLLDRRZWNEEHH-UHFFFAOYSA-N 1 1 244.081 2.502 40 0 BFABMO Fc1ccc(-c2cn[nH]c2[C@H]2CCC[NH2+]2)cc1 ZINC000072187637 384198270 /nfs/dbraw/zinc/19/82/70/384198270.db2.gz YMBAMYRSJRDEFE-GFCCVEGCSA-N 1 1 231.274 2.640 40 0 BFABMO Clc1ccccc1C[NH+]1CC(c2cc[nH]n2)C1 ZINC000072383188 384220163 /nfs/dbraw/zinc/22/01/63/384220163.db2.gz LHLZTMCGMJYFRK-UHFFFAOYSA-N 1 1 247.729 2.663 40 0 BFABMO CNc1cc([C@H]2CC[N@H+]2C2CCCC2)nc(C)n1 ZINC000072387444 384220208 /nfs/dbraw/zinc/22/02/08/384220208.db2.gz VKENRTIGPVBAEE-CYBMUJFWSA-N 1 1 246.358 2.516 40 0 BFABMO CC[C@@H](C)[N@H+]1CCc2ncnc(C3CC3)c2CC1 ZINC000096255118 384444949 /nfs/dbraw/zinc/44/49/49/384444949.db2.gz JBWJSDDUKBXMSK-LLVKDONJSA-N 1 1 245.370 2.553 40 0 BFABMO Cc1ccc(CN2CC[C@]3(C2)CCCC[N@@H+]3C)o1 ZINC000096203125 384443395 /nfs/dbraw/zinc/44/33/95/384443395.db2.gz LSNAEDYFZVSSKK-HNNXBMFYSA-N 1 1 248.370 2.648 40 0 BFABMO Cc1ccc(C[N@H+]2CC[C@]3(C2)CCCCN3C)o1 ZINC000096203125 384443398 /nfs/dbraw/zinc/44/33/98/384443398.db2.gz LSNAEDYFZVSSKK-HNNXBMFYSA-N 1 1 248.370 2.648 40 0 BFABMO Cc1ccc(C[N@@H+]2CC[C@]3(C2)CCCCN3C)o1 ZINC000096203125 384443402 /nfs/dbraw/zinc/44/34/02/384443402.db2.gz LSNAEDYFZVSSKK-HNNXBMFYSA-N 1 1 248.370 2.648 40 0 BFABMO Cc1cc(C)cc(NC(=O)[C@@H]2CCC[N@H+](C)C2)c1 ZINC000082322887 384669090 /nfs/dbraw/zinc/66/90/90/384669090.db2.gz CNLSHHRDAWEPFH-CYBMUJFWSA-N 1 1 246.354 2.584 40 0 BFABMO CCc1ccc(NC(=O)[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000082323272 384669865 /nfs/dbraw/zinc/66/98/65/384669865.db2.gz VOXYODSCHRSPLN-ZDUSSCGKSA-N 1 1 246.354 2.529 40 0 BFABMO CCC[N@H+]1CCC[C@H]1c1ccc(C)nc1 ZINC000072211241 385067040 /nfs/dbraw/zinc/06/70/40/385067040.db2.gz NZDJCULDWGRARY-ZDUSSCGKSA-N 1 1 204.317 2.937 40 0 BFABMO CCC[N@H+]1CCC[C@H]1c1cnccc1C ZINC000072211400 385070367 /nfs/dbraw/zinc/07/03/67/385070367.db2.gz LUVZOPHKIFDYFE-ZDUSSCGKSA-N 1 1 204.317 2.937 40 0 BFABMO CC[N@H+]1CCCC[C@@H]1c1cnccc1C ZINC000072211411 385072178 /nfs/dbraw/zinc/07/21/78/385072178.db2.gz OCBQVIINUVILRE-CYBMUJFWSA-N 1 1 204.317 2.937 40 0 BFABMO CCC[N@H+]1CCC[C@H]1c1cccnc1C ZINC000072211293 385072389 /nfs/dbraw/zinc/07/23/89/385072389.db2.gz CYSRRVDEYHKIEM-ZDUSSCGKSA-N 1 1 204.317 2.937 40 0 BFABMO CC[N@H+]1CCCC[C@H]1c1cccnc1C ZINC000072211305 385072426 /nfs/dbraw/zinc/07/24/26/385072426.db2.gz TZBRNZPVMYGCCA-ZDUSSCGKSA-N 1 1 204.317 2.937 40 0 BFABMO CCOc1ncccc1[C@@H]1CCC[N@H+]1CC ZINC000072211831 385076218 /nfs/dbraw/zinc/07/62/18/385076218.db2.gz LDGWWEVEMRHSMH-LBPRGKRZSA-N 1 1 220.316 2.637 40 0 BFABMO CC(C)C[N@H+]1CCCC[C@H]1c1ccc(=O)[nH]c1 ZINC000072212271 385077084 /nfs/dbraw/zinc/07/70/84/385077084.db2.gz LXYCHSJMKXXIMC-ZDUSSCGKSA-N 1 1 234.343 2.970 40 0 BFABMO CCN(CC)c1ncccc1[C@H]1CCC[N@H+]1C ZINC000072212882 385078975 /nfs/dbraw/zinc/07/89/75/385078975.db2.gz BFDULVKOBXHYMT-CYBMUJFWSA-N 1 1 233.359 2.695 40 0 BFABMO CCN(CC)c1ncccc1[C@@H]1CCC[N@H+]1C ZINC000072212881 385080843 /nfs/dbraw/zinc/08/08/43/385080843.db2.gz BFDULVKOBXHYMT-ZDUSSCGKSA-N 1 1 233.359 2.695 40 0 BFABMO CCCNc1ncccc1[C@@H]1CCC[N@H+]1C ZINC000072213119 385081031 /nfs/dbraw/zinc/08/10/31/385081031.db2.gz VTZQYRLHYFUEKC-LBPRGKRZSA-N 1 1 219.332 2.670 40 0 BFABMO c1ccc([C@@H]2CCC[N@@H+]2Cc2ccncc2)nc1 ZINC000072187764 385045630 /nfs/dbraw/zinc/04/56/30/385045630.db2.gz QKAVUAYXHUEGIE-HNNXBMFYSA-N 1 1 239.322 2.814 40 0 BFABMO Cc1cc(Nc2ccccc2)[nH+]cc1CCO ZINC000072223329 385113777 /nfs/dbraw/zinc/11/37/77/385113777.db2.gz XEFQRUPEOMZHAW-UHFFFAOYSA-N 1 1 228.295 2.668 40 0 BFABMO Cc1[nH+]c(N(C)Cc2ccccc2)ccc1CO ZINC000072224430 385119480 /nfs/dbraw/zinc/11/94/80/385119480.db2.gz HZCRAMJCKUCPPY-UHFFFAOYSA-N 1 1 242.322 2.519 40 0 BFABMO CC[N@H+]1CCCC[C@H]1c1cnc(OC)cc1C ZINC000072218033 385088024 /nfs/dbraw/zinc/08/80/24/385088024.db2.gz BMBUMDDQFHTIAW-ZDUSSCGKSA-N 1 1 234.343 2.946 40 0 BFABMO CC[N@H+]1CCCC[C@H]1c1cnc(OC)c(C)c1 ZINC000072217738 385089041 /nfs/dbraw/zinc/08/90/41/385089041.db2.gz AVWYFRYJJOYUGJ-ZDUSSCGKSA-N 1 1 234.343 2.946 40 0 BFABMO CC[N@H+]1CCC[C@H]1c1ccc(N2CCCC2)nc1 ZINC000072215914 385092323 /nfs/dbraw/zinc/09/23/23/385092323.db2.gz IFEKFTISBAILNF-AWEZNQCLSA-N 1 1 245.370 2.839 40 0 BFABMO CSc1ncccc1[C@@H]1CCCC[N@H+]1C ZINC000072216956 385097225 /nfs/dbraw/zinc/09/72/25/385097225.db2.gz CJJCAIOEGGXLSO-NSHDSACASA-N 1 1 222.357 2.960 40 0 BFABMO CSc1ccc([C@H]2CCC[N@H+]2C)cn1 ZINC000072216867 385098531 /nfs/dbraw/zinc/09/85/31/385098531.db2.gz ISKHXJIFWZYZAN-SNVBAGLBSA-N 1 1 208.330 2.570 40 0 BFABMO CCC[N@H+]1CCC[C@H]1c1cnc(N)c(C)c1 ZINC000072218442 385100485 /nfs/dbraw/zinc/10/04/85/385100485.db2.gz QZLAOQRWEPTUKH-LBPRGKRZSA-N 1 1 219.332 2.519 40 0 BFABMO CC[N@H+]1CCC[C@H]1c1cnc(NC)cc1C ZINC000072219032 385103369 /nfs/dbraw/zinc/10/33/69/385103369.db2.gz LVICLNFOHBLGRX-LBPRGKRZSA-N 1 1 219.332 2.589 40 0 BFABMO CCC[N@H+]1CCC[C@@H]1c1ccncc1C ZINC000072219515 385103695 /nfs/dbraw/zinc/10/36/95/385103695.db2.gz MQSGRYBMFDNJHH-CYBMUJFWSA-N 1 1 204.317 2.937 40 0 BFABMO Cc1cc(N2CCCC2)ncc1[C@H]1CCC[N@@H+]1C ZINC000072218846 385103715 /nfs/dbraw/zinc/10/37/15/385103715.db2.gz FSDDOLKUFFICJH-CQSZACIVSA-N 1 1 245.370 2.757 40 0 BFABMO CC[N@H+]1CCC[C@H]1c1ccc(NC)nc1C ZINC000072219092 385104463 /nfs/dbraw/zinc/10/44/63/385104463.db2.gz BUDQDZGCLPKJLJ-LBPRGKRZSA-N 1 1 219.332 2.589 40 0 BFABMO CC[N@H+]1CCCC[C@@H]1c1ccnc(C)c1 ZINC000072219473 385105512 /nfs/dbraw/zinc/10/55/12/385105512.db2.gz GJXQJUNIERFIQC-CYBMUJFWSA-N 1 1 204.317 2.937 40 0 BFABMO C[N@H+]1CCC[C@@H]1c1ccc2[nH]ccc2c1 ZINC000072221717 385107599 /nfs/dbraw/zinc/10/75/99/385107599.db2.gz VGTWTHZUHFDFKP-CYBMUJFWSA-N 1 1 200.285 2.935 40 0 BFABMO NC[C@H]1CCCC[N@H+]1CCCCc1ccccc1 ZINC000096523580 385268462 /nfs/dbraw/zinc/26/84/62/385268462.db2.gz XJXMXXWJCGYXHD-MRXNPFEDSA-N 1 1 246.398 2.823 40 0 BFABMO [NH3+]C[C@H]1CCCCN1CCCCc1ccccc1 ZINC000096523580 385268470 /nfs/dbraw/zinc/26/84/70/385268470.db2.gz XJXMXXWJCGYXHD-MRXNPFEDSA-N 1 1 246.398 2.823 40 0 BFABMO c1coc(C[N@@H+]2CCCC[C@@H]2c2ccncn2)c1 ZINC000257213249 385753961 /nfs/dbraw/zinc/75/39/61/385753961.db2.gz CGTNNBLNVVOANC-CQSZACIVSA-N 1 1 243.310 2.797 40 0 BFABMO c1coc(C[N@H+]2CCCC[C@@H]2c2ccncn2)c1 ZINC000257213249 385753965 /nfs/dbraw/zinc/75/39/65/385753965.db2.gz CGTNNBLNVVOANC-CQSZACIVSA-N 1 1 243.310 2.797 40 0 BFABMO CS[C@H]1CC[C@@H]([N@@H+](C)C[C@H]2CCCCO2)C1 ZINC000096441611 385942626 /nfs/dbraw/zinc/94/26/26/385942626.db2.gz FGZKQWBWHRJSSX-UPJWGTAASA-N 1 1 243.416 2.771 40 0 BFABMO CCCC[N@@H+](C)Cc1cccc(C=O)c1 ZINC000095739696 387004114 /nfs/dbraw/zinc/00/41/14/387004114.db2.gz SFLGOSQBRKYHNZ-UHFFFAOYSA-N 1 1 205.301 2.731 40 0 BFABMO CC(C)CC[N@H+]1C[C@H](O)C[C@@H]1CC(C)C ZINC000217886241 387204330 /nfs/dbraw/zinc/20/43/30/387204330.db2.gz ULFUZDXSRZTKJJ-QWHCGFSZSA-N 1 1 213.365 2.514 40 0 BFABMO c1ccc2[nH]c([C@H]3CC[N@H+](C4CCC4)C3)nc2c1 ZINC000049169036 387421015 /nfs/dbraw/zinc/42/10/15/387421015.db2.gz JBSUVFMGMUVLCX-NSHDSACASA-N 1 1 241.338 2.905 40 0 biogenic,in-vitro BFABMO Fc1ccccc1-c1nc([C@@H]2CCCC[NH2+]2)no1 ZINC000040443428 387784183 /nfs/dbraw/zinc/78/41/83/387784183.db2.gz DRANOHDAYYHWBI-NSHDSACASA-N 1 1 247.273 2.690 40 0 BFABMO COC(=O)CCc1ccc2nc(C(C)C)[nH]c2c1 ZINC000217767778 388381160 /nfs/dbraw/zinc/38/11/60/388381160.db2.gz RWNCVNZCBQQERM-UHFFFAOYSA-N 1 1 246.310 2.792 40 0 BFABMO CC1=C[C@@H](C)[C@@H](C2N3CC[N@H+]2CCC3)[C@H](C)C1 ZINC000102677592 168124685 /nfs/dbraw/zinc/12/46/85/168124685.db2.gz HFPVWFVWBIWBRP-MGPQQGTHSA-N 1 1 234.387 2.572 40 0 BFABMO CCn1ncc(CNc2[nH+]cccc2C)c1C ZINC000072226659 172255472 /nfs/dbraw/zinc/25/54/72/172255472.db2.gz VDFQYMCDXNNHGW-UHFFFAOYSA-N 1 1 230.315 2.527 40 0 BFABMO C[N@H+]1CCC[C@H]2c3ccccc3CC[C@@H]21 ZINC000001563852 173061397 /nfs/dbraw/zinc/06/13/97/173061397.db2.gz CAIZFPWDMVYDRN-KBPBESRZSA-N 1 1 201.313 2.811 40 0 BFABMO CN1[C@@H]2CC[C@H]1CC([NH2+]C1CCCCC1)C2 ZINC000000027588 173206567 /nfs/dbraw/zinc/20/65/67/173206567.db2.gz WGUYSKWWJNQJSC-AGUYFDCRSA-N 1 1 222.376 2.534 40 0 BFABMO COc1cccc(-c2cn[nH]c2[C@@H]2CCC[NH2+]2)c1 ZINC000072379958 175232993 /nfs/dbraw/zinc/23/29/93/175232993.db2.gz UKUKVTKYOLSSGP-ZDUSSCGKSA-N 1 1 243.310 2.510 40 0 BFABMO C[C@H]1CCCC[N@H+]1C[C@H](CO)c1ccccc1 ZINC000100382680 177077249 /nfs/dbraw/zinc/07/72/49/177077249.db2.gz UIKUEKDWMHIBRL-DZGCQCFKSA-N 1 1 233.355 2.637 40 0 BFABMO C[C@H]1CCC[N@@H+](Cc2ccccc2C=O)C1 ZINC000095738630 177101354 /nfs/dbraw/zinc/10/13/54/177101354.db2.gz SISUHXOCDSOAEI-LBPRGKRZSA-N 1 1 217.312 2.731 40 0 BFABMO CC[N@H+]1[C@H](C)Cc2[nH]ccc2[C@H]1C(C)C ZINC000260825954 323128697 /nfs/dbraw/zinc/12/86/97/323128697.db2.gz WRQVWPDZJOZRFL-ZWNOBZJWSA-N 1 1 206.333 2.978 40 0 BFABMO Cc1cc(=O)cc([C@@H]2CCC[N@@H+]2C(C)C)[nH]1 ZINC000072348462 178199585 /nfs/dbraw/zinc/19/95/85/178199585.db2.gz ZUPSZNYRCMPOFG-ZDUSSCGKSA-N 1 1 220.316 2.641 40 0 BFABMO C[NH+](C)[C@H]1CCc2ccc3ccccc3c2C1=O ZINC000001569690 342703423 /nfs/dbraw/zinc/70/34/23/342703423.db2.gz MXWZALYVSNMPDC-AWEZNQCLSA-N 1 1 239.318 2.899 40 0 BFABMO CCCC[N@H+]1CCC[C@@H]1c1ccc[nH]c1=O ZINC000072212311 259317218 /nfs/dbraw/zinc/31/72/18/259317218.db2.gz AVBZBTCKGIPFPS-GFCCVEGCSA-N 1 1 220.316 2.724 40 0 BFABMO CC[N@H+]1CCCC[C@H]1c1cccc(C)n1 ZINC000072211094 259317397 /nfs/dbraw/zinc/31/73/97/259317397.db2.gz SIEIWTTUOGNWLC-ZDUSSCGKSA-N 1 1 204.317 2.937 40 0 BFABMO C[N@H+]1CCC[C@@H]1c1ccc(NC2CCC2)nc1 ZINC000072213823 259317916 /nfs/dbraw/zinc/31/79/16/259317916.db2.gz XXEPXCHQTSGIIJ-CYBMUJFWSA-N 1 1 231.343 2.813 40 0 BFABMO C[N@H+]1CCC[C@H]1c1ccc(NC2CCC2)nc1 ZINC000072213824 259317991 /nfs/dbraw/zinc/31/79/91/259317991.db2.gz XXEPXCHQTSGIIJ-ZDUSSCGKSA-N 1 1 231.343 2.813 40 0 BFABMO CCC[N@H+]1CCCC[C@@H]1c1cnc(N)c(C)c1 ZINC000072218458 259317998 /nfs/dbraw/zinc/31/79/98/259317998.db2.gz KMAUKBWMNNOMBJ-CYBMUJFWSA-N 1 1 233.359 2.909 40 0 BFABMO CCC[N@H+]1CCC[C@H]1c1cnc(NC)c(C)c1 ZINC000072218982 259318013 /nfs/dbraw/zinc/31/80/13/259318013.db2.gz KOVRZJRBSSAJDY-ZDUSSCGKSA-N 1 1 233.359 2.979 40 0 BFABMO CCCOc1ccccc1-c1cnc(C[NH3+])o1 ZINC000072220122 259319084 /nfs/dbraw/zinc/31/90/84/259319084.db2.gz DHQCKVMGVCWYNB-UHFFFAOYSA-N 1 1 232.283 2.589 40 0 BFABMO Cc1cc(N)cc2[nH+]c(-c3ccc(N)cc3)[nH]c21 ZINC000005687175 342768498 /nfs/dbraw/zinc/76/84/98/342768498.db2.gz BSIXHXYTBOQOHQ-UHFFFAOYSA-N 1 1 238.294 2.703 40 0 BFABMO CC[C@H](O)c1c[nH+]c(N(CC)CC)cc1C ZINC000072223262 259321525 /nfs/dbraw/zinc/32/15/25/259321525.db2.gz FKCTZEVGPNDVAL-LBPRGKRZSA-N 1 1 222.332 2.680 40 0 BFABMO CC(C)(C)[N@H+]1CCO[C@H](COc2ccccc2)C1 ZINC000014982338 342890092 /nfs/dbraw/zinc/89/00/92/342890092.db2.gz VHPLFQLDULGLNL-AWEZNQCLSA-N 1 1 249.354 2.565 40 0 BFABMO C[C@H](c1ccccc1)[N@@H+]1CCN[C@@H]2CCCC[C@H]21 ZINC000218839061 398328515 /nfs/dbraw/zinc/32/85/15/398328515.db2.gz IGOISJROXVLNGR-FVQBIDKESA-N 1 1 244.382 2.964 40 0 BFABMO C[C@H](c1ccccc1)[N@H+]1CCN[C@@H]2CCCC[C@H]21 ZINC000218839061 398328517 /nfs/dbraw/zinc/32/85/17/398328517.db2.gz IGOISJROXVLNGR-FVQBIDKESA-N 1 1 244.382 2.964 40 0 BFABMO Cn1c2ccccc2[nH+]c1Nc1ccccc1N ZINC000218825770 398328680 /nfs/dbraw/zinc/32/86/80/398328680.db2.gz OVUABQQDORNBNM-UHFFFAOYSA-N 1 1 238.294 2.899 40 0 BFABMO c1ccc(C2=N[C@@H]3CCCC[C@H]3[NH+]=CC2)cc1 ZINC000020153851 342972129 /nfs/dbraw/zinc/97/21/29/342972129.db2.gz VVUDASVFKRRYKL-HUUCEWRRSA-N 1 1 226.323 2.904 40 0 BFABMO CC[C@@H](c1ccccc1)[N@@H+](CCO)C(C)C ZINC000079421144 343400546 /nfs/dbraw/zinc/40/05/46/343400546.db2.gz UMFJFXVOSBORQH-AWEZNQCLSA-N 1 1 221.344 2.840 40 0 BFABMO CC(C)[N@@H+]1CCC[C@@H]1c1cc(C(F)(F)F)n[nH]1 ZINC000072348460 187276942 /nfs/dbraw/zinc/27/69/42/187276942.db2.gz NNCPJGLPDHUVIL-SECBINFHSA-N 1 1 247.264 2.974 40 0 BFABMO CC(C)[N@H+]1CCC[C@@H]1c1cc(C(F)(F)F)n[nH]1 ZINC000072348460 187276943 /nfs/dbraw/zinc/27/69/43/187276943.db2.gz NNCPJGLPDHUVIL-SECBINFHSA-N 1 1 247.264 2.974 40 0 BFABMO Cc1cc([C@@H]2CCCC[N@@H+]2C(C)C)c[nH]c1=O ZINC000072217977 344513948 /nfs/dbraw/zinc/51/39/48/344513948.db2.gz PPJKZGUCQZIBAJ-ZDUSSCGKSA-N 1 1 234.343 2.619 40 0 BFABMO Cc1cc([C@H]2CCCC[N@@H+]2C(C)C)c[nH]c1=O ZINC000072217978 344513997 /nfs/dbraw/zinc/51/39/97/344513997.db2.gz PPJKZGUCQZIBAJ-CYBMUJFWSA-N 1 1 234.343 2.619 40 0 BFABMO CCC[C@@]12C=CC=CC1=[NH+]C=C2CCO ZINC000095932373 537873085 /nfs/dbraw/zinc/87/30/85/537873085.db2.gz ZFDJODJOODCWCI-ZDUSSCGKSA-N 1 1 203.285 2.620 40 0 BFABMO Cc1cccc([C@H]2CCC[N@@H+]2C(C)C)n1 ZINC000072211078 179203913 /nfs/dbraw/zinc/20/39/13/179203913.db2.gz GQGOEBQXUMXYPY-CYBMUJFWSA-N 1 1 204.317 2.935 40 0 BFABMO Cc1ccccc1CN1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000019237152 179276612 /nfs/dbraw/zinc/27/66/12/179276612.db2.gz SQOWSENQVLOOAZ-GDBMZVCRSA-N 1 1 244.382 2.664 40 0 BFABMO C[N@@H+]1CCC[C@@H]1c1cccc(Br)n1 ZINC000205706548 348579141 /nfs/dbraw/zinc/57/91/41/348579141.db2.gz PHJQTOONVCTRCS-SECBINFHSA-N 1 1 241.132 2.611 40 0 BFABMO C[N@H+]1CCC[C@@H]1c1cccc(Br)n1 ZINC000205706548 348579144 /nfs/dbraw/zinc/57/91/44/348579144.db2.gz PHJQTOONVCTRCS-SECBINFHSA-N 1 1 241.132 2.611 40 0 BFABMO Fc1ccc(-c2nc([C@H]3CCCC[NH2+]3)no2)cc1 ZINC000040443339 350362809 /nfs/dbraw/zinc/36/28/09/350362809.db2.gz VLYIBRPEPMWVIG-LLVKDONJSA-N 1 1 247.273 2.690 40 0 BFABMO Cc1cnc([C@H](C)[N@H+]2CCCC3(CC3)C2)cn1 ZINC000335893389 355687656 /nfs/dbraw/zinc/68/76/56/355687656.db2.gz LLCPBWYUGQUZSF-LBPRGKRZSA-N 1 1 231.343 2.722 40 0 BFABMO CSc1ncccc1[C@H]1CCCC[N@H+]1C ZINC000072216955 259528294 /nfs/dbraw/zinc/52/82/94/259528294.db2.gz CJJCAIOEGGXLSO-LLVKDONJSA-N 1 1 222.357 2.960 40 0 BFABMO [NH3+]CCCN1CCC[C@H]1c1ccc(Cl)cc1 ZINC000012398994 181381532 /nfs/dbraw/zinc/38/15/32/181381532.db2.gz QGPYZCNSGHUMTF-ZDUSSCGKSA-N 1 1 238.762 2.826 40 0 BFABMO Cc1c[nH]c([C@@H]2CCC[N@H+]2C2CCCC2)n1 ZINC000205687290 368358154 /nfs/dbraw/zinc/35/81/54/368358154.db2.gz FRBSPAANGMERPJ-LBPRGKRZSA-N 1 1 219.332 2.798 40 0 BFABMO CCCC(=O)CC[N@@H+](C)Cc1ccccc1 ZINC000001705695 368684865 /nfs/dbraw/zinc/68/48/65/368684865.db2.gz GMINVHYGAYPZBN-UHFFFAOYSA-N 1 1 219.328 2.878 40 0 BFABMO CC[C@H](C(=O)c1ccc(C)cc1)[NH+](C)C ZINC000095705016 371334031 /nfs/dbraw/zinc/33/40/31/371334031.db2.gz UKVFBTRCNFUOFU-GFCCVEGCSA-N 1 1 205.301 2.518 40 0 in-vitro BFABMO O[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2Cl)C1 ZINC000072203666 183199019 /nfs/dbraw/zinc/19/90/19/183199019.db2.gz KFFYBXDRTKRBKZ-SNVBAGLBSA-N 1 1 246.137 2.560 40 0 BFABMO O[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2Cl)C1 ZINC000072203666 183199021 /nfs/dbraw/zinc/19/90/21/183199021.db2.gz KFFYBXDRTKRBKZ-SNVBAGLBSA-N 1 1 246.137 2.560 40 0 BFABMO c1ccc(-c2nc([C@H]3CCCC[NH2+]3)no2)cc1 ZINC000041065909 183383296 /nfs/dbraw/zinc/38/32/96/183383296.db2.gz WBJUCZZNHYPVMB-LLVKDONJSA-N 1 1 229.283 2.551 40 0 BFABMO c1ccc(CN2CCC[C@H](C[NH2+]C3CC3)C2)cc1 ZINC000053656314 183399802 /nfs/dbraw/zinc/39/98/02/183399802.db2.gz OONHGXTVFVGLND-OAHLLOKOSA-N 1 1 244.382 2.651 40 0 BFABMO Nc1nccc([C@@H]2CCC[N@H+]2C2CCCCC2)n1 ZINC000072356837 383850261 /nfs/dbraw/zinc/85/02/61/383850261.db2.gz WWFIJWCOKDTZFK-ZDUSSCGKSA-N 1 1 246.358 2.528 40 0 BFABMO CN(C)CCC[NH+]1CCC2(CCCCC2)CC1 ZINC000001697460 383925412 /nfs/dbraw/zinc/92/54/12/383925412.db2.gz HLQZGVFXXFVXIB-UHFFFAOYSA-N 1 1 238.419 2.984 40 0 BFABMO CCCCCC[C@@H](C)[N@H+]1CCNC[C@@H]1C ZINC000067802988 383949426 /nfs/dbraw/zinc/94/94/26/383949426.db2.gz DWUSIMXKIRNGMX-OLZOCXBDSA-N 1 1 212.381 2.639 40 0 BFABMO CCCCCC[C@@H](C)N1CC[NH2+]C[C@@H]1C ZINC000067802988 383949432 /nfs/dbraw/zinc/94/94/32/383949432.db2.gz DWUSIMXKIRNGMX-OLZOCXBDSA-N 1 1 212.381 2.639 40 0 BFABMO CC[C@]1(C)CCC[N@@H+](Cc2snnc2C)C1 ZINC000569367760 383952252 /nfs/dbraw/zinc/95/22/52/383952252.db2.gz NQAZWABXMLJAIS-GFCCVEGCSA-N 1 1 239.388 2.859 40 0 BFABMO CC[C@@]1(C)CCC[N@@H+](Cc2snnc2C)C1 ZINC000569367761 383953033 /nfs/dbraw/zinc/95/30/33/383953033.db2.gz NQAZWABXMLJAIS-LBPRGKRZSA-N 1 1 239.388 2.859 40 0 BFABMO Cc1ccc2nc(C3=CC[N@@H+](C)CC3)oc2c1 ZINC000073636316 384028315 /nfs/dbraw/zinc/02/83/15/384028315.db2.gz NMKJEGSCMJUDNW-UHFFFAOYSA-N 1 1 228.295 2.855 40 0 BFABMO CC[N@@H+](CCO)C[C@@H]1CCC[C@H]2CCCC[C@H]12 ZINC000005766907 384129350 /nfs/dbraw/zinc/12/93/50/384129350.db2.gz OMNYFBVXUCYWNL-ILXRZTDVSA-N 1 1 239.403 2.907 40 0 in-vitro BFABMO CC[C@H](c1ccccc1)[N@H+](CCN)C1CC1 ZINC000079421251 384144861 /nfs/dbraw/zinc/14/48/61/384144861.db2.gz LSTZHIXDZVZVBR-CQSZACIVSA-N 1 1 218.344 2.561 40 0 BFABMO CC[C@H](c1ccccc1)[N@@H+](CCN)C1CC1 ZINC000079421251 384144867 /nfs/dbraw/zinc/14/48/67/384144867.db2.gz LSTZHIXDZVZVBR-CQSZACIVSA-N 1 1 218.344 2.561 40 0 BFABMO c1cc([C@H]2CCC[N@H+]2C2CCCCC2)ncn1 ZINC000072356842 384211162 /nfs/dbraw/zinc/21/11/62/384211162.db2.gz MUTUTXUZLZVDDD-CQSZACIVSA-N 1 1 231.343 2.946 40 0 BFABMO c1ccc([C@H]2CCC[N@@H+]2Cc2cccnc2)nc1 ZINC000072381591 384218046 /nfs/dbraw/zinc/21/80/46/384218046.db2.gz ZAWZYVFGUHBMQN-OAHLLOKOSA-N 1 1 239.322 2.814 40 0 BFABMO C[C@@H](NC(C)(C)C)[C@H](C)[NH2+]C(C)(C)C ZINC000095093143 384363132 /nfs/dbraw/zinc/36/31/32/384363132.db2.gz KEPBYALUNVNGRN-AOOOYVTPSA-N 1 1 200.370 2.540 40 0 BFABMO C[C@@H]([NH2+]C(C)(C)C)[C@H](C)NC(C)(C)C ZINC000095093143 384363137 /nfs/dbraw/zinc/36/31/37/384363137.db2.gz KEPBYALUNVNGRN-AOOOYVTPSA-N 1 1 200.370 2.540 40 0 BFABMO c1[nH]nc2c1[C@H]1CC[C@@H](C2)[N@@H+]1Cc1ccccc1 ZINC000019371566 384519585 /nfs/dbraw/zinc/51/95/85/384519585.db2.gz IOCBRZYCDNTMQH-SWLSCSKDSA-N 1 1 239.322 2.672 40 0 BFABMO Cc1cc[nH+]c(NC2Cc3ccccc3C2)c1 ZINC000228845537 384568137 /nfs/dbraw/zinc/56/81/37/384568137.db2.gz AOPCBOFJSKFOKL-UHFFFAOYSA-N 1 1 224.307 2.969 40 0 BFABMO Cc1ccc(NC(=O)[C@H]2CCC[N@H+](C)C2)c(C)c1 ZINC000082322511 384664998 /nfs/dbraw/zinc/66/49/98/384664998.db2.gz WFMMITYDSHVLCO-ZDUSSCGKSA-N 1 1 246.354 2.584 40 0 BFABMO Cc1cccnc1[C@H]1CCC[N@@H+]1C(C)C ZINC000072211132 385066674 /nfs/dbraw/zinc/06/66/74/385066674.db2.gz CEAYLXAQBWMYOM-GFCCVEGCSA-N 1 1 204.317 2.935 40 0 BFABMO Cc1ncccc1[C@H]1CCC[N@@H+]1C(C)C ZINC000072211291 385070976 /nfs/dbraw/zinc/07/09/76/385070976.db2.gz JTXVJKKTPDGJIW-CYBMUJFWSA-N 1 1 204.317 2.935 40 0 BFABMO C[N@@H+]1CCCC[C@@H]1c1cccnc1Cl ZINC000072211511 385071135 /nfs/dbraw/zinc/07/11/35/385071135.db2.gz LHFDZNFXIBNCDY-SNVBAGLBSA-N 1 1 210.708 2.892 40 0 BFABMO C[N@H+]1CCCC[C@@H]1c1cccnc1Cl ZINC000072211511 385071138 /nfs/dbraw/zinc/07/11/38/385071138.db2.gz LHFDZNFXIBNCDY-SNVBAGLBSA-N 1 1 210.708 2.892 40 0 BFABMO CC[N@H+]1CCCC[C@@H]1c1cccnc1OC ZINC000072211735 385073242 /nfs/dbraw/zinc/07/32/42/385073242.db2.gz IZDCECQTOSFWDI-GFCCVEGCSA-N 1 1 220.316 2.637 40 0 BFABMO CC(C)C[N@H+]1CCCC[C@@H]1c1ccc[nH]c1=O ZINC000072212328 385076530 /nfs/dbraw/zinc/07/65/30/385076530.db2.gz XWZOIRUPSXZCJF-CYBMUJFWSA-N 1 1 234.343 2.970 40 0 BFABMO CC(C)[N@H+]1CCC[C@@H]1c1ccc(N(C)C)nc1 ZINC000072212595 385079299 /nfs/dbraw/zinc/07/92/99/385079299.db2.gz KMYVJJVCVBFYBP-CYBMUJFWSA-N 1 1 233.359 2.693 40 0 BFABMO c1ccc([C@H]2CCC[N@@H+]2Cc2ccncc2)nc1 ZINC000072187765 385045132 /nfs/dbraw/zinc/04/51/32/385045132.db2.gz QKAVUAYXHUEGIE-OAHLLOKOSA-N 1 1 239.322 2.814 40 0 BFABMO Cc1cc(N(C)c2ccccc2)[nH+]cc1CCO ZINC000072223356 385113599 /nfs/dbraw/zinc/11/35/99/385113599.db2.gz GQLXBJSFYGGLAE-UHFFFAOYSA-N 1 1 242.322 2.693 40 0 BFABMO CC[N@H+]1CCCC[C@@H]1c1cnc(OC)c(C)c1 ZINC000072217737 385089993 /nfs/dbraw/zinc/08/99/93/385089993.db2.gz AVWYFRYJJOYUGJ-CYBMUJFWSA-N 1 1 234.343 2.946 40 0 BFABMO CCSc1ncccc1[C@H]1CCC[N@H+]1C ZINC000072217167 385098107 /nfs/dbraw/zinc/09/81/07/385098107.db2.gz VDBAEEACDVEACM-LLVKDONJSA-N 1 1 222.357 2.960 40 0 BFABMO CC[N@H+]1CCCC[C@@H]1c1ccc(=S)[nH]c1 ZINC000072217017 385098444 /nfs/dbraw/zinc/09/84/44/385098444.db2.gz CJJQIHJYHCZXNL-LLVKDONJSA-N 1 1 222.357 2.917 40 0 BFABMO Cc1cc(=O)[nH]cc1[C@@H]1CCC[N@@H+]1CC(C)C ZINC000072218143 385100151 /nfs/dbraw/zinc/10/01/51/385100151.db2.gz QDLUJXRLUFPUAQ-ZDUSSCGKSA-N 1 1 234.343 2.889 40 0 BFABMO CC[N@H+]1CCCC[C@H]1c1c[nH]c(=O)cc1C ZINC000072218157 385100648 /nfs/dbraw/zinc/10/06/48/385100648.db2.gz QADNEDNABLCVLB-LBPRGKRZSA-N 1 1 220.316 2.643 40 0 BFABMO CCC[N@H+]1CCC[C@H]1c1ccc(=O)[nH]c1C ZINC000072218202 385101833 /nfs/dbraw/zinc/10/18/33/385101833.db2.gz UDRYWTZGTMQKNM-LBPRGKRZSA-N 1 1 220.316 2.643 40 0 BFABMO Cc1cc(N)ncc1[C@@H]1CCC[N@@H+]1CC(C)C ZINC000072218503 385101943 /nfs/dbraw/zinc/10/19/43/385101943.db2.gz PZENMRJAGLLPEQ-ZDUSSCGKSA-N 1 1 233.359 2.765 40 0 BFABMO CC[N@H+]1CCC[C@H]1c1cnc(NC)c(C)c1 ZINC000072218972 385103836 /nfs/dbraw/zinc/10/38/36/385103836.db2.gz RFUAFGRAVIOBIP-LBPRGKRZSA-N 1 1 219.332 2.589 40 0 BFABMO CCC[N@H+]1CCC[C@H]1c1ccnc(C)c1 ZINC000072219460 385104350 /nfs/dbraw/zinc/10/43/50/385104350.db2.gz SMSCPQHKHTXATC-ZDUSSCGKSA-N 1 1 204.317 2.937 40 0 BFABMO CC[N@H+]1CCCC[C@H]1c1ccc(NC)nc1C ZINC000072219117 385104701 /nfs/dbraw/zinc/10/47/01/385104701.db2.gz AGHWNGQYRIOJLZ-ZDUSSCGKSA-N 1 1 233.359 2.979 40 0 BFABMO CCC[N@H+]1CCC[C@H]1c1cnc(NC)cc1C ZINC000072219042 385104849 /nfs/dbraw/zinc/10/48/49/385104849.db2.gz SMTPAHHHBWSFJG-ZDUSSCGKSA-N 1 1 233.359 2.979 40 0 BFABMO COc1cccc(OC)c1[C@H]1CCCC[N@H+]1C ZINC000072221432 385107017 /nfs/dbraw/zinc/10/70/17/385107017.db2.gz DXYHXYJUDNJIHZ-LLVKDONJSA-N 1 1 235.327 2.861 40 0 BFABMO NC[C@@H]1CCCC[N@@H+]1CCCC1CCCC1 ZINC000096523609 385269552 /nfs/dbraw/zinc/26/95/52/385269552.db2.gz XCTMDUXGPXQKCX-AWEZNQCLSA-N 1 1 224.392 2.770 40 0 BFABMO NC[C@@H]1CCCC[N@H+]1CCCC1CCCC1 ZINC000096523609 385269557 /nfs/dbraw/zinc/26/95/57/385269557.db2.gz XCTMDUXGPXQKCX-AWEZNQCLSA-N 1 1 224.392 2.770 40 0 BFABMO C[N@@H+](Cc1ccc2c(n1)CCC2)C(C)(C)C ZINC000335450410 385647943 /nfs/dbraw/zinc/64/79/43/385647943.db2.gz XMFBBAPVXOBCGI-UHFFFAOYSA-N 1 1 218.344 2.801 40 0 BFABMO Fc1cc2[nH]cnc2cc1OC(F)(F)F ZINC000238546664 387875628 /nfs/dbraw/zinc/87/56/28/387875628.db2.gz UCHNUQVWOUZBAT-UHFFFAOYSA-N 1 1 220.125 2.601 40 0 BFABMO [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(Cl)c1 ZINC000072411150 388639829 /nfs/dbraw/zinc/63/98/29/388639829.db2.gz JHYUHPXZSRIESE-CHWSQXEVSA-N 1 1 238.762 2.700 40 0 BFABMO C([C@H]1CCCC[NH2+]1)N1CC[C@H]2CCCC[C@H]2C1 ZINC000252470047 388652283 /nfs/dbraw/zinc/65/22/83/388652283.db2.gz SMFJJXNFNWYQPN-QLFBSQMISA-N 1 1 236.403 2.641 40 0 BFABMO Cc1ccc(C[N@@H+]2CCN[C@H]3CCCC[C@@H]32)cc1 ZINC000225712078 388840856 /nfs/dbraw/zinc/84/08/56/388840856.db2.gz VHXZCDVILTXYHM-HOTGVXAUSA-N 1 1 244.382 2.711 40 0 BFABMO Cc1ccc(C[N@H+]2CCN[C@H]3CCCC[C@@H]32)cc1 ZINC000225712078 388840860 /nfs/dbraw/zinc/84/08/60/388840860.db2.gz VHXZCDVILTXYHM-HOTGVXAUSA-N 1 1 244.382 2.711 40 0 BFABMO Cc1cc(-n2cnnc2)ccc1[NH+]1CCCCC1 ZINC000226276041 132291262 /nfs/dbraw/zinc/29/12/62/132291262.db2.gz ZPCAMIMCUOUZBJ-UHFFFAOYSA-N 1 1 242.326 2.566 40 0 BFABMO CCCC[NH2+]Cc1nc2ccc(C)cc2[nH]1 ZINC000022122047 411310126 /nfs/dbraw/zinc/31/01/26/411310126.db2.gz BVSBQZKLLOJOPB-UHFFFAOYSA-N 1 1 217.316 2.761 40 0 BFABMO CC[C@H](C)[N@H+]1CCc2ncnc(C3CC3)c2CC1 ZINC000096255119 171320212 /nfs/dbraw/zinc/32/02/12/171320212.db2.gz JBWJSDDUKBXMSK-NSHDSACASA-N 1 1 245.370 2.553 40 0 BFABMO C[N@H+]1CCCC[C@@H]1[C@H](O)c1ccc(Cl)cc1 ZINC000004428571 173006807 /nfs/dbraw/zinc/00/68/07/173006807.db2.gz MTLXGAVDIYSMKB-CHWSQXEVSA-N 1 1 239.746 2.858 40 0 BFABMO C[N@@H+]1[C@H]2C=C(c3cccc(Cl)n3)C[C@@H]1CC2 ZINC000002529340 173206270 /nfs/dbraw/zinc/20/62/70/173206270.db2.gz ZTPVMGZWOVVRRQ-MNOVXSKESA-N 1 1 234.730 2.985 40 0 BFABMO COc1cccc(-c2cn[nH]c2[C@H]2CCC[NH2+]2)c1 ZINC000072379959 175233644 /nfs/dbraw/zinc/23/36/44/175233644.db2.gz UKUKVTKYOLSSGP-CYBMUJFWSA-N 1 1 243.310 2.510 40 0 BFABMO COc1cccc(Nc2[nH+]cc(C)cc2N)c1 ZINC000036242846 175281204 /nfs/dbraw/zinc/28/12/04/175281204.db2.gz NEEJHGMIQLQDAK-UHFFFAOYSA-N 1 1 229.283 2.724 40 0 BFABMO C[C@@H]1CCCC[N@H+]1C[C@H](CO)c1ccccc1 ZINC000248119000 176073255 /nfs/dbraw/zinc/07/32/55/176073255.db2.gz UIKUEKDWMHIBRL-UKRRQHHQSA-N 1 1 233.355 2.637 40 0 BFABMO C[C@@H]1CCCC[N@H+]1C[C@@H](CO)c1ccccc1 ZINC000012650197 176074118 /nfs/dbraw/zinc/07/41/18/176074118.db2.gz UIKUEKDWMHIBRL-HIFRSBDPSA-N 1 1 233.355 2.637 40 0 BFABMO C[C@@H]1CCCC[N@@H+]1CCN1CCCC[C@@H]1C ZINC000023292238 177074933 /nfs/dbraw/zinc/07/49/33/177074933.db2.gz HFJJHXUCQWRVQD-OKILXGFUSA-N 1 1 224.392 2.735 40 0 BFABMO C[C@@H]1CCCCN1CC[N@@H+]1CCCC[C@@H]1C ZINC000023292238 177074935 /nfs/dbraw/zinc/07/49/35/177074935.db2.gz HFJJHXUCQWRVQD-OKILXGFUSA-N 1 1 224.392 2.735 40 0 BFABMO C[C@@H]1CCCCN1CC[N@H+]1CCCC[C@@H]1C ZINC000023292238 177074937 /nfs/dbraw/zinc/07/49/37/177074937.db2.gz HFJJHXUCQWRVQD-OKILXGFUSA-N 1 1 224.392 2.735 40 0 BFABMO C[C@@H]1C[C@H]([NH2+]Cc2ccccc2)[C@@H](C)CN1C ZINC000003684618 177238270 /nfs/dbraw/zinc/23/82/70/177238270.db2.gz WSVFANOWQHGVOH-GUTXKFCHSA-N 1 1 232.371 2.505 40 0 BFABMO C[C@@H]1C[C@H](NCc2ccccc2)[C@@H](C)C[N@@H+]1C ZINC000003684618 177238272 /nfs/dbraw/zinc/23/82/72/177238272.db2.gz WSVFANOWQHGVOH-GUTXKFCHSA-N 1 1 232.371 2.505 40 0 BFABMO C[C@@H]1C[C@H](NCc2ccccc2)[C@@H](C)C[N@H+]1C ZINC000003684618 177238275 /nfs/dbraw/zinc/23/82/75/177238275.db2.gz WSVFANOWQHGVOH-GUTXKFCHSA-N 1 1 232.371 2.505 40 0 BFABMO CCc1ccc(CNCC[NH+](CC)CC)cc1 ZINC000019919172 523940231 /nfs/dbraw/zinc/94/02/31/523940231.db2.gz GBMILCZUFBEJPN-UHFFFAOYSA-N 1 1 234.387 2.680 40 0 BFABMO CCCC[N@H+]1CCC[C@H]1c1ccc(=O)[nH]c1 ZINC000072212262 259317611 /nfs/dbraw/zinc/31/76/11/259317611.db2.gz MMRSFRCCQFXXCB-LBPRGKRZSA-N 1 1 220.316 2.724 40 0 BFABMO COc1ccc([C@@H]2CCC[N@H+]2CC(C)C)cn1 ZINC000072211669 259317331 /nfs/dbraw/zinc/31/73/31/259317331.db2.gz WVUHJHBZFIDQHW-ZDUSSCGKSA-N 1 1 234.343 2.883 40 0 BFABMO CCOc1ccccc1Nc1cc(C)[nH+]c(N)n1 ZINC000001676602 342708314 /nfs/dbraw/zinc/70/83/14/342708314.db2.gz FUYJWJGLOCQSFV-UHFFFAOYSA-N 1 1 244.298 2.510 40 0 BFABMO CC(C)C[N@H+]1CCC[C@@H]1c1ccc(=O)[nH]c1 ZINC000072212259 259317443 /nfs/dbraw/zinc/31/74/43/259317443.db2.gz OMXZNEJKYYTTCN-GFCCVEGCSA-N 1 1 220.316 2.580 40 0 BFABMO CC[C@@H](O)c1ccc(N(CC)CC)[nH+]c1C ZINC000072224305 259321957 /nfs/dbraw/zinc/32/19/57/259321957.db2.gz JMZMWQPPXKKMKR-GFCCVEGCSA-N 1 1 222.332 2.680 40 0 BFABMO CC1=CO[C@](C)([C@@H]2NC(C)(C)C[C@H](C)[NH2+]2)CC1 ZINC000019325720 342946072 /nfs/dbraw/zinc/94/60/72/342946072.db2.gz OCRUJCNPOFTYIS-OBJOEFQTSA-N 1 1 238.375 2.535 40 0 BFABMO CCOc1ccc2[nH]c3c(c2c1)C[N@H+](C)CC3 ZINC000008325050 136274091 /nfs/dbraw/zinc/27/40/91/136274091.db2.gz HOMIYTNSSIJCJC-UHFFFAOYSA-N 1 1 230.311 2.555 40 0 BFABMO CCOc1ccc2[nH]c3c(c2c1)C[N@@H+](C)CC3 ZINC000008325050 136274092 /nfs/dbraw/zinc/27/40/92/136274092.db2.gz HOMIYTNSSIJCJC-UHFFFAOYSA-N 1 1 230.311 2.555 40 0 BFABMO CC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000034753549 187257316 /nfs/dbraw/zinc/25/73/16/187257316.db2.gz CMZAOOFDDYEJAE-AWEZNQCLSA-N 1 1 217.312 2.630 40 0 BFABMO CCCCCCNCC[NH2+]C(C)(C)C ZINC000039712274 343392234 /nfs/dbraw/zinc/39/22/34/343392234.db2.gz MCRAMOZALBUTQR-UHFFFAOYSA-N 1 1 200.370 2.544 40 0 BFABMO CCCCCC[NH2+]CCNC(C)(C)C ZINC000039712274 343392235 /nfs/dbraw/zinc/39/22/35/343392235.db2.gz MCRAMOZALBUTQR-UHFFFAOYSA-N 1 1 200.370 2.544 40 0 BFABMO CC[C@@H](c1ccccc1)[N@H+](CCN)C1CC1 ZINC000079421246 343400784 /nfs/dbraw/zinc/40/07/84/343400784.db2.gz LSTZHIXDZVZVBR-AWEZNQCLSA-N 1 1 218.344 2.561 40 0 BFABMO CC[C@@H](c1ccccc1)[N@@H+](CCN)C1CC1 ZINC000079421246 343400786 /nfs/dbraw/zinc/40/07/86/343400786.db2.gz LSTZHIXDZVZVBR-AWEZNQCLSA-N 1 1 218.344 2.561 40 0 BFABMO CCCC[C@H]1C[C@H](O)C[N@H+]1CCC(C)C ZINC000217881134 187318792 /nfs/dbraw/zinc/31/87/92/187318792.db2.gz NFJLULSBDNGYRL-STQMWFEESA-N 1 1 213.365 2.658 40 0 BFABMO CC(C)c1ccc([C@@H](CN)[NH+]2CCCC2)cc1 ZINC000038827573 349262469 /nfs/dbraw/zinc/26/24/69/349262469.db2.gz TWJVTFWLVAGBPQ-OAHLLOKOSA-N 1 1 232.371 2.906 40 0 BFABMO Cc1nccc([C@@H]2CCC[N@@H+](CC3CCC3)C2)n1 ZINC000257304626 180207540 /nfs/dbraw/zinc/20/75/40/180207540.db2.gz SMKFSZWROWLMCD-CQSZACIVSA-N 1 1 245.370 2.765 40 0 BFABMO Cc1[nH+]ccn1-c1cc(N)cc(C(F)(F)F)c1 ZINC000114438226 180229209 /nfs/dbraw/zinc/22/92/09/180229209.db2.gz BETRKLAUVABHFV-UHFFFAOYSA-N 1 1 241.216 2.782 40 0 BFABMO Cc1c(Cl)cccc1C[N@H+]1CCC[C@H](O)C1 ZINC000038539520 362964083 /nfs/dbraw/zinc/96/40/83/362964083.db2.gz NCKQWSMZYKGVHA-LBPRGKRZSA-N 1 1 239.746 2.605 40 0 BFABMO CC(C)(C)[N@H+]1CCc2cc3c(cc2C1)OCO3 ZINC000001704006 188274473 /nfs/dbraw/zinc/27/44/73/188274473.db2.gz OKPJUVOAYGELMO-UHFFFAOYSA-N 1 1 233.311 2.572 40 0 BFABMO CCC[N@H+]1CCC[C@@H]1c1ccc(=S)[nH]c1 ZINC000072217002 259527694 /nfs/dbraw/zinc/52/76/94/259527694.db2.gz OWPXPLBKFVXWOZ-LLVKDONJSA-N 1 1 222.357 2.917 40 0 BFABMO Cc1cc([C@@H]2CCC[N@@H+]2CC(C)C)cnc1N ZINC000072218443 259529306 /nfs/dbraw/zinc/52/93/06/259529306.db2.gz RKBMEDMCIUGQFQ-ZDUSSCGKSA-N 1 1 233.359 2.765 40 0 BFABMO CCC[N@H+]1CCC[C@H]1c1ccncc1C ZINC000072219516 259530445 /nfs/dbraw/zinc/53/04/45/259530445.db2.gz MQSGRYBMFDNJHH-ZDUSSCGKSA-N 1 1 204.317 2.937 40 0 BFABMO COc1cccc(OC)c1[C@@H]1CCCC[N@H+]1C ZINC000072221433 259530769 /nfs/dbraw/zinc/53/07/69/259530769.db2.gz DXYHXYJUDNJIHZ-NSHDSACASA-N 1 1 235.327 2.861 40 0 BFABMO [NH3+]CCCN1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000012398993 181380952 /nfs/dbraw/zinc/38/09/52/181380952.db2.gz QGPYZCNSGHUMTF-CYBMUJFWSA-N 1 1 238.762 2.826 40 0 BFABMO Cc1cc(N)ccc1[NH+]1[C@@H](C)CC[C@@H]1C ZINC000008701405 368317313 /nfs/dbraw/zinc/31/73/13/368317313.db2.gz DYDIERCDZVCGKM-QWRGUYRKSA-N 1 1 204.317 2.954 40 0 BFABMO [NH3+]CC(F)(F)Sc1ccc(Cl)cc1 ZINC000131750754 371666321 /nfs/dbraw/zinc/66/63/21/371666321.db2.gz XTUJDTXFGKASDP-UHFFFAOYSA-N 1 1 223.675 2.984 40 0 BFABMO O[C@H]1CCCC[C@@H]1[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000001051355 183231454 /nfs/dbraw/zinc/23/14/54/183231454.db2.gz LRWOETBLULBTDE-JYJNAYRXSA-N 1 1 245.366 2.779 40 0 BFABMO c1cc([C@@H]2CCCC[N@@H+]2C2CCCC2)n[nH]1 ZINC000072348418 183361068 /nfs/dbraw/zinc/36/10/68/183361068.db2.gz YJPMDQFUBTUBTI-ZDUSSCGKSA-N 1 1 219.332 2.879 40 0 BFABMO O=C1O[C@H](c2ccccc2)C[C@@H]1[NH+]1CCCCC1 ZINC000001842994 383939520 /nfs/dbraw/zinc/93/95/20/383939520.db2.gz OTUIWPRWKLUVLB-KBPBESRZSA-N 1 1 245.322 2.529 40 0 BFABMO CCC[N@@H+](C[C@H](N)Cc1ccccc1)CC1CC1 ZINC000042491169 384151755 /nfs/dbraw/zinc/15/17/55/384151755.db2.gz OIRDKWGVMWLVSP-MRXNPFEDSA-N 1 1 246.398 2.678 40 0 BFABMO Cc1ccnc([C@H]2CCC[N@H+](C3CCCC3)C2)n1 ZINC000072356815 384210854 /nfs/dbraw/zinc/21/08/54/384210854.db2.gz JURBWIGVOWZBMT-ZDUSSCGKSA-N 1 1 245.370 2.907 40 0 BFABMO Cc1cncnc1[C@@H]1CCCC[N@H+]1CC1CC1 ZINC000072361357 384213529 /nfs/dbraw/zinc/21/35/29/384213529.db2.gz XGTSLUUYKFLZQW-ZDUSSCGKSA-N 1 1 231.343 2.722 40 0 BFABMO Fc1ccc(C[N@H+]2CC[C@H](c3cc[nH]n3)C2)cc1 ZINC000072381366 384216366 /nfs/dbraw/zinc/21/63/66/384216366.db2.gz NESDFRLKGQANKE-LBPRGKRZSA-N 1 1 245.301 2.538 40 0 BFABMO C[C@H]1c2[nH]c3ccccc3c2CC[N@H+]1C ZINC000001627061 384425986 /nfs/dbraw/zinc/42/59/86/384425986.db2.gz VENAANZHUCMOGD-VIFPVBQESA-N 1 1 200.285 2.717 40 0 BFABMO C[C@H]1c2[nH]c3ccccc3c2CC[N@@H+]1C ZINC000001627061 384425992 /nfs/dbraw/zinc/42/59/92/384425992.db2.gz VENAANZHUCMOGD-VIFPVBQESA-N 1 1 200.285 2.717 40 0 BFABMO Cc1ccc(C)c(NC(=O)[C@H]2CCC[N@H+](C)C2)c1 ZINC000082322612 384665501 /nfs/dbraw/zinc/66/55/01/384665501.db2.gz FJINCAGQQRRLMI-ZDUSSCGKSA-N 1 1 246.354 2.584 40 0 BFABMO CCc1ccccc1NC(=O)[C@@H]1CCC[N@@H+](C)C1 ZINC000082323166 384669310 /nfs/dbraw/zinc/66/93/10/384669310.db2.gz MCEXIVKNNZFBFA-CYBMUJFWSA-N 1 1 246.354 2.529 40 0 BFABMO Cc1ccc([C@@]2(O)C[C@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000100811722 384654033 /nfs/dbraw/zinc/65/40/33/384654033.db2.gz CFZMSXAIXMGEAH-VNHYZAJKSA-N 1 1 233.355 2.543 40 0 BFABMO CC[N@H+]1CCCC[C@H]1c1cccnc1OC ZINC000072211736 385071156 /nfs/dbraw/zinc/07/11/56/385071156.db2.gz IZDCECQTOSFWDI-LBPRGKRZSA-N 1 1 220.316 2.637 40 0 BFABMO CCNc1ccc([C@H]2CCCC[N@H+]2C)cn1 ZINC000072213089 385078009 /nfs/dbraw/zinc/07/80/09/385078009.db2.gz HHTOTOANMRVBDZ-GFCCVEGCSA-N 1 1 219.332 2.670 40 0 BFABMO CCC[N@H+]1CCC[C@H]1c1ccc(N(C)C)nc1 ZINC000072212598 385079808 /nfs/dbraw/zinc/07/98/08/385079808.db2.gz JUYKMNDWCVRLCM-ZDUSSCGKSA-N 1 1 233.359 2.695 40 0 BFABMO CC(C)CNc1ccc([C@H]2CCC[N@H+]2C)cn1 ZINC000072213300 385081044 /nfs/dbraw/zinc/08/10/44/385081044.db2.gz SSGWODYVFJRHJE-CYBMUJFWSA-N 1 1 233.359 2.916 40 0 BFABMO CCCNc1ccc([C@@H](O)CC)c(C)[nH+]1 ZINC000072224253 385115614 /nfs/dbraw/zinc/11/56/14/385115614.db2.gz DEDAPRSRIOATLL-NSHDSACASA-N 1 1 208.305 2.655 40 0 BFABMO Cc1[nH+]c(Nc2ccccc2)ccc1CCO ZINC000072224371 385119770 /nfs/dbraw/zinc/11/97/70/385119770.db2.gz FYRMPVQYVVBVII-UHFFFAOYSA-N 1 1 228.295 2.668 40 0 BFABMO CC[N@H+]1CCC[C@@H]1c1cccnc1N1CCCC1 ZINC000072215973 385093335 /nfs/dbraw/zinc/09/33/35/385093335.db2.gz LHBBHPZCXGISLF-CQSZACIVSA-N 1 1 245.370 2.839 40 0 BFABMO C[N@H+]1CCC[C@@H]1c1cccnc1N1CCCCC1 ZINC000072216087 385094791 /nfs/dbraw/zinc/09/47/91/385094791.db2.gz YNVUNOWMIKXFEY-CQSZACIVSA-N 1 1 245.370 2.839 40 0 BFABMO C[N@H+]1CCC[C@H]1c1ccc(N2CCCCC2)nc1 ZINC000072216028 385094952 /nfs/dbraw/zinc/09/49/52/385094952.db2.gz KFZYHJKUTLGMLP-AWEZNQCLSA-N 1 1 245.370 2.839 40 0 BFABMO C[N@H+]1CCCC[C@@H]1c1ccc[nH]c1=S ZINC000072217075 385096425 /nfs/dbraw/zinc/09/64/25/385096425.db2.gz RJEMTVBFPQLYSL-SNVBAGLBSA-N 1 1 208.330 2.527 40 0 BFABMO CC(C)[N@H+]1CCC[C@@H]1c1ccc(=S)[nH]c1 ZINC000072217000 385096772 /nfs/dbraw/zinc/09/67/72/385096772.db2.gz RVLVPNUOKWDHEN-LLVKDONJSA-N 1 1 222.357 2.916 40 0 BFABMO CCC[N@H+]1CCC[C@H]1c1ccc[nH]c1=S ZINC000072217063 385098186 /nfs/dbraw/zinc/09/81/86/385098186.db2.gz RTCQEUYQPZAWCQ-NSHDSACASA-N 1 1 222.357 2.917 40 0 BFABMO CC[N@H+]1CCC[C@@H]1c1ccc(SC)nc1 ZINC000072216872 385098356 /nfs/dbraw/zinc/09/83/56/385098356.db2.gz RSDYWSONBOCNPU-LLVKDONJSA-N 1 1 222.357 2.960 40 0 BFABMO CC[N@H+]1CCC[C@H]1c1ccc(SC)nc1 ZINC000072216873 385098419 /nfs/dbraw/zinc/09/84/19/385098419.db2.gz RSDYWSONBOCNPU-NSHDSACASA-N 1 1 222.357 2.960 40 0 BFABMO Cc1cc(N)ncc1[C@H]1CCC[N@@H+]1C(C)C ZINC000072218500 385100866 /nfs/dbraw/zinc/10/08/66/385100866.db2.gz AYDTXEDZYDJRQQ-GFCCVEGCSA-N 1 1 219.332 2.518 40 0 BFABMO CCC[N@H+]1CCC[C@@H]1c1cnc(N)cc1C ZINC000072218501 385101755 /nfs/dbraw/zinc/10/17/55/385101755.db2.gz ROMBMHRQDYFZGI-GFCCVEGCSA-N 1 1 219.332 2.519 40 0 BFABMO Cc1cnccc1[C@@H]1CCC[N@@H+]1C(C)C ZINC000072219513 385104207 /nfs/dbraw/zinc/10/42/07/385104207.db2.gz QUHPHKYHNIPZAP-ZDUSSCGKSA-N 1 1 204.317 2.935 40 0 BFABMO Cc1nc(N(C)C)ccc1[C@@H]1CCCC[N@H+]1C ZINC000072218754 385104228 /nfs/dbraw/zinc/10/42/28/385104228.db2.gz GJNNQIXERKLWCK-ZDUSSCGKSA-N 1 1 233.359 2.613 40 0 BFABMO C[C@@H]([NH2+]C1CCCCC1)C(=O)OC(C)(C)C ZINC000064219172 385247052 /nfs/dbraw/zinc/24/70/52/385247052.db2.gz ATFTUHMGMWYQPO-SNVBAGLBSA-N 1 1 227.348 2.639 40 0 BFABMO c1cc(C[N@@H+]2CCC[C@@H]2c2cnccn2)cs1 ZINC000257285687 385762429 /nfs/dbraw/zinc/76/24/29/385762429.db2.gz PIHHLRAOJJIFFU-CYBMUJFWSA-N 1 1 245.351 2.875 40 0 BFABMO c1cc(C[N@H+]2CCC[C@@H]2c2cnccn2)cs1 ZINC000257285687 385762434 /nfs/dbraw/zinc/76/24/34/385762434.db2.gz PIHHLRAOJJIFFU-CYBMUJFWSA-N 1 1 245.351 2.875 40 0 BFABMO CC[C@H]1Cc2[nH]ccc2[C@@H](C(C)C)[N@H+]1C ZINC000223714722 386094603 /nfs/dbraw/zinc/09/46/03/386094603.db2.gz FJMCVKFCWPJSRX-GXFFZTMASA-N 1 1 206.333 2.978 40 0 BFABMO Fc1ccc(C[NH2+]Cc2ccco2)s1 ZINC000256054495 387862455 /nfs/dbraw/zinc/86/24/55/387862455.db2.gz WOGOIFKYAYPTJS-UHFFFAOYSA-N 1 1 211.261 2.770 40 0 BFABMO CCn1cc(C)nc1C[NH2+]Cc1ccccc1 ZINC000408715197 387866570 /nfs/dbraw/zinc/86/65/70/387866570.db2.gz FKQBSXNRKUFQSB-UHFFFAOYSA-N 1 1 229.327 2.501 40 0 BFABMO Cc1ccc([C@H](CN)[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000216076716 388352717 /nfs/dbraw/zinc/35/27/17/388352717.db2.gz VZNUIVSRDUUPPL-HIFRSBDPSA-N 1 1 232.371 2.727 40 0 BFABMO Cc1ccc([C@H](C[NH3+])N2CCC[C@@H](C)C2)cc1 ZINC000216076716 388352720 /nfs/dbraw/zinc/35/27/20/388352720.db2.gz VZNUIVSRDUUPPL-HIFRSBDPSA-N 1 1 232.371 2.727 40 0 BFABMO CCCC[C@@H]1C[C@@H](O)C[N@H+]1CCC(C)C ZINC000217880902 388383141 /nfs/dbraw/zinc/38/31/41/388383141.db2.gz NFJLULSBDNGYRL-CHWSQXEVSA-N 1 1 213.365 2.658 40 0 BFABMO CC[NH+](CC)Cc1ccncc1Br ZINC000209774753 411027514 /nfs/dbraw/zinc/02/75/14/411027514.db2.gz UNZSZZHUTXGVAS-UHFFFAOYSA-N 1 1 243.148 2.686 40 0 BFABMO CC[N@@H+]1CCc2cc(Br)ccc2C1 ZINC000074449549 170023651 /nfs/dbraw/zinc/02/36/51/170023651.db2.gz YZGICEWDTPWCAC-UHFFFAOYSA-N 1 1 240.144 2.827 40 0 BFABMO CC[N@H+]1CCc2cc(Br)ccc2C1 ZINC000074449549 170023653 /nfs/dbraw/zinc/02/36/53/170023653.db2.gz YZGICEWDTPWCAC-UHFFFAOYSA-N 1 1 240.144 2.827 40 0 BFABMO C[N@H+]1CCCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000001578708 173008648 /nfs/dbraw/zinc/00/86/48/173008648.db2.gz GOWRYACIDZSIHI-ZIAGYGMSSA-N 1 1 219.328 2.594 40 0 biogenic,in-vitro BFABMO C[N@H+]1CCCC[C@H]1C[C@H](O)c1ccccc1 ZINC000004098599 173009854 /nfs/dbraw/zinc/00/98/54/173009854.db2.gz GOWRYACIDZSIHI-KBPBESRZSA-N 1 1 219.328 2.594 40 0 biogenic,in-vitro BFABMO C[C@@H]1CCC[N@@H+](CCC(=O)c2ccc(O)cc2)C1 ZINC000001598707 176097163 /nfs/dbraw/zinc/09/71/63/176097163.db2.gz PMNQLQPUOSPHEN-GFCCVEGCSA-N 1 1 247.338 2.697 40 0 BFABMO C[C@@H]1C[N@@H+](C)C(C)(C)C[C@@]1(O)c1ccccc1 ZINC000013111058 176265741 /nfs/dbraw/zinc/26/57/41/176265741.db2.gz SSRPOTWODWIGHO-DOMZBBRYSA-N 1 1 233.355 2.624 40 0 BFABMO C[C@H](c1cccc(Cl)c1)[N@H+]1CCC[C@H](O)C1 ZINC000043220490 177036877 /nfs/dbraw/zinc/03/68/77/177036877.db2.gz JWCOLZVFSATOJX-MFKMUULPSA-N 1 1 239.746 2.858 40 0 BFABMO C[C@H]1CCCC[N@H+]1Cc1ccc(C=O)cc1 ZINC000095738619 177077472 /nfs/dbraw/zinc/07/74/72/177077472.db2.gz HROYHAJNIGCHGG-LBPRGKRZSA-N 1 1 217.312 2.874 40 0 BFABMO C[C@H]1CCC[N@@H+](CCC(=O)c2ccc(O)cc2)C1 ZINC000005734631 177097971 /nfs/dbraw/zinc/09/79/71/177097971.db2.gz PMNQLQPUOSPHEN-LBPRGKRZSA-N 1 1 247.338 2.697 40 0 BFABMO Cc1cc(C[N@H+]2CC[C@@H]3O[C@@H](C)C[C@H]3C2)oc1C ZINC000096045920 178001649 /nfs/dbraw/zinc/00/16/49/178001649.db2.gz SLYWROPZOGGCPX-WHOFXGATSA-N 1 1 249.354 2.896 40 0 BFABMO Cc1cc(CN2C[C@H]3CCC[N@@H+]3C[C@@H]2C)oc1C ZINC000072324598 178007815 /nfs/dbraw/zinc/00/78/15/178007815.db2.gz FLHGHJKACAGEMC-GXTWGEPZSA-N 1 1 248.370 2.565 40 0 BFABMO Cc1cc2nc(C3CC[NH2+]CC3)[nH]c2cc1Cl ZINC000027759951 178276559 /nfs/dbraw/zinc/27/65/59/178276559.db2.gz BQGVHBKJDPWIDO-UHFFFAOYSA-N 1 1 249.745 2.992 40 0 BFABMO C[NH+](C)[C@@H](CO)c1cccc(Cl)c1Cl ZINC000070453282 259313788 /nfs/dbraw/zinc/31/37/88/259313788.db2.gz DIUPWZABFHRIBE-VIFPVBQESA-N 1 1 234.126 2.588 40 0 BFABMO CCCC[N@H+]1CCC[C@H]1c1ccc[nH]c1=O ZINC000072212312 259317566 /nfs/dbraw/zinc/31/75/66/259317566.db2.gz AVBZBTCKGIPFPS-LBPRGKRZSA-N 1 1 220.316 2.724 40 0 BFABMO CC[N@H+]1CCCC[C@@H]1c1cccnc1NC ZINC000072212552 259317654 /nfs/dbraw/zinc/31/76/54/259317654.db2.gz UDRGQNJODISMJB-GFCCVEGCSA-N 1 1 219.332 2.670 40 0 BFABMO CCCCC[N@@H+](C)CCOC(=O)N(CC)CC ZINC000001677417 342708475 /nfs/dbraw/zinc/70/84/75/342708475.db2.gz OAUCLBWUQXNSDA-UHFFFAOYSA-N 1 1 244.379 2.587 40 0 BFABMO CC(=O)CC[N@H+](C)[C@@H](C)Cc1ccccc1 ZINC000006487311 342778525 /nfs/dbraw/zinc/77/85/25/342778525.db2.gz BLNTYGUDWBLSNZ-LBPRGKRZSA-N 1 1 219.328 2.529 40 0 BFABMO C[C@@H](CNCc1ccccc1)[NH+]1CCCCC1 ZINC000022073580 343039567 /nfs/dbraw/zinc/03/95/67/343039567.db2.gz OMRDQGFKLZHQKN-AWEZNQCLSA-N 1 1 232.371 2.651 40 0 BFABMO CCCCCC[C@@H](C)[N@H+]1CCCNCC1 ZINC000038086811 343370001 /nfs/dbraw/zinc/37/00/01/343370001.db2.gz XXPQOQOJALPXKR-CYBMUJFWSA-N 1 1 212.381 2.641 40 0 BFABMO CCCCCC[C@@H](C)N1CCC[NH2+]CC1 ZINC000038086811 343370002 /nfs/dbraw/zinc/37/00/02/343370002.db2.gz XXPQOQOJALPXKR-CYBMUJFWSA-N 1 1 212.381 2.641 40 0 BFABMO Cc1ccc(Nc2cc(N)nc(C3CC3)[nH+]2)cc1 ZINC000049467578 343599229 /nfs/dbraw/zinc/59/92/29/343599229.db2.gz KJMMIMCZVJUEBN-UHFFFAOYSA-N 1 1 240.310 2.988 40 0 BFABMO CC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000034753550 187299141 /nfs/dbraw/zinc/29/91/41/187299141.db2.gz CMZAOOFDDYEJAE-CQSZACIVSA-N 1 1 217.312 2.630 40 0 BFABMO Cc1cccc(Cl)c1C[N@H+]1CCC[C@@H](O)C1 ZINC000038539925 179108039 /nfs/dbraw/zinc/10/80/39/179108039.db2.gz QVIVASKIAZEIDU-LLVKDONJSA-N 1 1 239.746 2.605 40 0 BFABMO Cc1cccc(N2CCC[C@@H]2c2ccncn2)[nH+]1 ZINC000257206960 179122458 /nfs/dbraw/zinc/12/24/58/179122458.db2.gz BFQSJXPNHLREPE-CYBMUJFWSA-N 1 1 240.310 2.522 40 0 BFABMO Cc1[nH+]c2ccc(N)cc2n1Cc1ccccc1 ZINC000114225903 180093486 /nfs/dbraw/zinc/09/34/86/180093486.db2.gz MKFDCPUWUIDCKD-UHFFFAOYSA-N 1 1 237.306 2.975 40 0 BFABMO CC(C)Cn1ccc(C[NH2+]Cc2ccccc2)n1 ZINC000256052369 188369742 /nfs/dbraw/zinc/36/97/42/188369742.db2.gz NAYHDTSFQNOVIU-UHFFFAOYSA-N 1 1 243.354 2.829 40 0 BFABMO O=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCCCCC1 ZINC000054603208 363506358 /nfs/dbraw/zinc/50/63/58/363506358.db2.gz KKULNNCJFMSIGA-BETUJISGSA-N 1 1 221.344 2.905 40 0 BFABMO CC(C)[N@H+]1CCCC[C@H]1c1cccnc1N ZINC000072212437 259525324 /nfs/dbraw/zinc/52/53/24/259525324.db2.gz WNTJVHJPBNJFES-LBPRGKRZSA-N 1 1 219.332 2.599 40 0 BFABMO Cc1nc(N)ccc1[C@H]1CCC[N@@H+]1CC(C)C ZINC000072218564 259529740 /nfs/dbraw/zinc/52/97/40/259529740.db2.gz ZOTBGCYHHKCALE-CYBMUJFWSA-N 1 1 233.359 2.765 40 0 BFABMO Cc1cc(CCO)c[nH+]c1NCc1ccccc1 ZINC000072222344 259530888 /nfs/dbraw/zinc/53/08/88/259530888.db2.gz NGOZFNIURQACQN-UHFFFAOYSA-N 1 1 242.322 2.537 40 0 BFABMO Cc1ccsc1C[N@H+]1CC[C@H](c2cc[nH]n2)C1 ZINC000205676247 368356766 /nfs/dbraw/zinc/35/67/66/368356766.db2.gz VYRDEARTBXNMIW-NSHDSACASA-N 1 1 247.367 2.769 40 0 BFABMO Cc1ccsc1C[N@@H+]1CC[C@H](c2ccn[nH]2)C1 ZINC000205676247 368356774 /nfs/dbraw/zinc/35/67/74/368356774.db2.gz VYRDEARTBXNMIW-NSHDSACASA-N 1 1 247.367 2.769 40 0 BFABMO Cc1ccsc1C[N@H+]1CC[C@H](c2ccn[nH]2)C1 ZINC000205676247 368356781 /nfs/dbraw/zinc/35/67/81/368356781.db2.gz VYRDEARTBXNMIW-NSHDSACASA-N 1 1 247.367 2.769 40 0 BFABMO NC[C@H]1CCCC[N@@H+]1CC1(c2ccccc2)CC1 ZINC000096523582 181456689 /nfs/dbraw/zinc/45/66/89/181456689.db2.gz GWNXUDVTZDWXEF-OAHLLOKOSA-N 1 1 244.382 2.531 40 0 BFABMO NC[C@H]1CCCC[N@H+]1CC1(c2ccccc2)CC1 ZINC000096523582 181456692 /nfs/dbraw/zinc/45/66/92/181456692.db2.gz GWNXUDVTZDWXEF-OAHLLOKOSA-N 1 1 244.382 2.531 40 0 BFABMO Cc1ccccc1SC(F)(F)C[NH3+] ZINC000131750144 371665774 /nfs/dbraw/zinc/66/57/74/371665774.db2.gz YJBCJVMASZWNRB-UHFFFAOYSA-N 1 1 203.257 2.639 40 0 BFABMO c1cn(-c2ccccc2)c([C@@H]2C3CC[NH+]2CC3)n1 ZINC000001865623 183385904 /nfs/dbraw/zinc/38/59/04/183385904.db2.gz HUQILDYSLYZCSP-AWEZNQCLSA-N 1 1 239.322 2.639 40 0 BFABMO c1ccc(CN(C[C@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC000079438017 183396423 /nfs/dbraw/zinc/39/64/23/183396423.db2.gz HMRSLQPQXNFITK-HNNXBMFYSA-N 1 1 244.382 2.651 40 0 BFABMO CCCO[C@@H](C[NH+](C)C)C(Cl)(Cl)Cl ZINC000001557942 169310802 /nfs/dbraw/zinc/31/08/02/169310802.db2.gz WIDGBWIDXRAVLR-ZETCQYMHSA-N 1 1 248.581 2.713 40 0 BFABMO CCCO[C@H](C[NH+](C)C)C(Cl)(Cl)Cl ZINC000002031765 169312001 /nfs/dbraw/zinc/31/20/01/169312001.db2.gz WIDGBWIDXRAVLR-SSDOTTSWSA-N 1 1 248.581 2.713 40 0 BFABMO C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CC[N@H+]2C ZINC000000000473 383818090 /nfs/dbraw/zinc/81/80/90/383818090.db2.gz YGSVZRIZCHZUHB-COLVAYQJSA-N 1 1 231.339 2.546 40 0 in-vitro BFABMO c1cnc([C@@H]2CCC[N@H+](C3CCCCC3)C2)cn1 ZINC000072356835 384210289 /nfs/dbraw/zinc/21/02/89/384210289.db2.gz KRPZWHPSIRBIAS-CYBMUJFWSA-N 1 1 245.370 2.989 40 0 BFABMO CNc1cccc([C@@H]2CCC[N@H+]2C(C)C)n1 ZINC000072356977 384211822 /nfs/dbraw/zinc/21/18/22/384211822.db2.gz JXTJELHCFGEXMU-LBPRGKRZSA-N 1 1 219.332 2.669 40 0 BFABMO Cc1ccc(C[N@@H+]2CC[C@H]3C[C@H](C)O[C@@H]3C2)o1 ZINC000096062530 384432153 /nfs/dbraw/zinc/43/21/53/384432153.db2.gz CJZJZMPSCXUDFD-SGMGOOAPSA-N 1 1 235.327 2.587 40 0 BFABMO CN(C)CC[NH2+]Cc1c(Cl)cccc1Cl ZINC000019266922 384512550 /nfs/dbraw/zinc/51/25/50/384512550.db2.gz HSSBUSALGVFKNV-UHFFFAOYSA-N 1 1 247.169 2.645 40 0 BFABMO CC[N@H+]1CCCC[C@@H]1c1ccc(C)nc1 ZINC000072211252 385067123 /nfs/dbraw/zinc/06/71/23/385067123.db2.gz SHTLUNYUAGFTIH-CYBMUJFWSA-N 1 1 204.317 2.937 40 0 BFABMO CCC[N@H+]1CCC[C@@H]1c1cc(C)ccn1 ZINC000072211187 385067252 /nfs/dbraw/zinc/06/72/52/385067252.db2.gz DBCUMTRHIJCZHG-CYBMUJFWSA-N 1 1 204.317 2.937 40 0 BFABMO CCC[N@H+]1CCC[C@H]1c1cc(C)ccn1 ZINC000072211188 385068455 /nfs/dbraw/zinc/06/84/55/385068455.db2.gz DBCUMTRHIJCZHG-ZDUSSCGKSA-N 1 1 204.317 2.937 40 0 BFABMO CC[N@H+]1CCCC[C@@H]1c1ncccc1C ZINC000072211147 385068993 /nfs/dbraw/zinc/06/89/93/385068993.db2.gz ULOVRFROGOBDNM-GFCCVEGCSA-N 1 1 204.317 2.937 40 0 BFABMO CCC[N@H+]1CCC[C@@H]1c1cncc(C)c1 ZINC000072211344 385070760 /nfs/dbraw/zinc/07/07/60/385070760.db2.gz UZJRHLUQSJSSDM-CYBMUJFWSA-N 1 1 204.317 2.937 40 0 BFABMO C[N@@H+]1CCCC[C@H]1c1cccnc1Cl ZINC000072211512 385071546 /nfs/dbraw/zinc/07/15/46/385071546.db2.gz LHFDZNFXIBNCDY-JTQLQIEISA-N 1 1 210.708 2.892 40 0 BFABMO C[N@H+]1CCCC[C@H]1c1cccnc1Cl ZINC000072211512 385071555 /nfs/dbraw/zinc/07/15/55/385071555.db2.gz LHFDZNFXIBNCDY-JTQLQIEISA-N 1 1 210.708 2.892 40 0 BFABMO Cc1ccncc1[C@H]1CCC[N@@H+]1C(C)C ZINC000072211398 385071902 /nfs/dbraw/zinc/07/19/02/385071902.db2.gz BEXLAFMLXBPSPS-CYBMUJFWSA-N 1 1 204.317 2.935 40 0 BFABMO CC[N@H+]1CCCC[C@@H]1c1cncc(C)c1 ZINC000072211356 385071956 /nfs/dbraw/zinc/07/19/56/385071956.db2.gz HXMMWBKVSLHTKL-CYBMUJFWSA-N 1 1 204.317 2.937 40 0 BFABMO COc1ncccc1[C@H]1CCC[N@H+]1CC(C)C ZINC000072211724 385072843 /nfs/dbraw/zinc/07/28/43/385072843.db2.gz XYNCKLPODRTNMQ-CYBMUJFWSA-N 1 1 234.343 2.883 40 0 BFABMO CC(C)Oc1ncccc1[C@H]1CCC[N@H+]1C ZINC000072211945 385074304 /nfs/dbraw/zinc/07/43/04/385074304.db2.gz AGMDFSUSQUEWOC-GFCCVEGCSA-N 1 1 220.316 2.636 40 0 BFABMO CC(C)Oc1ncccc1[C@@H]1CCC[N@H+]1C ZINC000072211944 385076282 /nfs/dbraw/zinc/07/62/82/385076282.db2.gz AGMDFSUSQUEWOC-LBPRGKRZSA-N 1 1 220.316 2.636 40 0 BFABMO CCCNc1ccc([C@@H]2CCC[N@H+]2C)cn1 ZINC000072213179 385078179 /nfs/dbraw/zinc/07/81/79/385078179.db2.gz ANRZTGYRVNMBNP-LBPRGKRZSA-N 1 1 219.332 2.670 40 0 BFABMO CC(C)C[N@H+]1CCC[C@@H]1c1ccc(N(C)C)nc1 ZINC000072212599 385079843 /nfs/dbraw/zinc/07/98/43/385079843.db2.gz PHBDWPRYOISTIG-CQSZACIVSA-N 1 1 247.386 2.941 40 0 BFABMO CC[C@@H](O)c1c[nH+]c(N2CCCCC2)cc1C ZINC000072223500 385112978 /nfs/dbraw/zinc/11/29/78/385112978.db2.gz AVIQVKDIKHFLHI-CYBMUJFWSA-N 1 1 234.343 2.824 40 0 BFABMO Cc1cc(N2CCCCCC2)[nH+]cc1[C@@H](C)O ZINC000072223524 385113416 /nfs/dbraw/zinc/11/34/16/385113416.db2.gz PVIMZFKUNIGMMT-GFCCVEGCSA-N 1 1 234.343 2.824 40 0 BFABMO Cc1[nH+]c(N(C)C)ccc1[C@H](O)c1ccccc1 ZINC000072224150 385115370 /nfs/dbraw/zinc/11/53/70/385115370.db2.gz XENKJUSJZGJCMB-OAHLLOKOSA-N 1 1 242.322 2.538 40 0 BFABMO CCC[N@H+]1CCC[C@@H]1c1ccc(OC)nc1C ZINC000072218077 385090089 /nfs/dbraw/zinc/09/00/89/385090089.db2.gz CRTAHBKGJFGZME-CYBMUJFWSA-N 1 1 234.343 2.946 40 0 BFABMO CSc1ccc([C@@H]2CCCC[N@H+]2C)cn1 ZINC000072216896 385096707 /nfs/dbraw/zinc/09/67/07/385096707.db2.gz IVPWLIHNMAMDGA-NSHDSACASA-N 1 1 222.357 2.960 40 0 BFABMO CC[N@H+]1CCC[C@H]1c1ccc(=S)[nH]c1 ZINC000072216993 385098227 /nfs/dbraw/zinc/09/82/27/385098227.db2.gz CVLYDEHHZLVASQ-JTQLQIEISA-N 1 1 208.330 2.527 40 0 BFABMO CC[N@H+]1CCC[C@H]1c1cnc(N(C)C)c(C)c1 ZINC000072218612 385102159 /nfs/dbraw/zinc/10/21/59/385102159.db2.gz MVZMHDAFOGHOFT-ZDUSSCGKSA-N 1 1 233.359 2.613 40 0 BFABMO CCCC[N@H+]1CCC[C@@H]1c1ccc(N)nc1C ZINC000072218565 385102180 /nfs/dbraw/zinc/10/21/80/385102180.db2.gz IBSKPVLEQCOIGW-CYBMUJFWSA-N 1 1 233.359 2.909 40 0 BFABMO COc1ccccc1[C@@H]1CCCC[N@H+]1C ZINC000072221474 385107188 /nfs/dbraw/zinc/10/71/88/385107188.db2.gz HTFMLIHDBUGANR-LBPRGKRZSA-N 1 1 205.301 2.852 40 0 BFABMO CC(C)C[C@H]([NH3+])CN1CCCCCCC1 ZINC000020266231 385669991 /nfs/dbraw/zinc/66/99/91/385669991.db2.gz XBYQWLOMNCKGFY-ZDUSSCGKSA-N 1 1 212.381 2.626 40 0 BFABMO c1coc(C[N@@H+]2CCCC[C@H]2c2ccncn2)c1 ZINC000257213248 385752166 /nfs/dbraw/zinc/75/21/66/385752166.db2.gz CGTNNBLNVVOANC-AWEZNQCLSA-N 1 1 243.310 2.797 40 0 BFABMO c1coc(C[N@H+]2CCCC[C@H]2c2ccncn2)c1 ZINC000257213248 385752173 /nfs/dbraw/zinc/75/21/73/385752173.db2.gz CGTNNBLNVVOANC-AWEZNQCLSA-N 1 1 243.310 2.797 40 0 BFABMO CCCC[N@@H+](C)C[C@@H]1Cc2ccccc2N1 ZINC000087655844 386958820 /nfs/dbraw/zinc/95/88/20/386958820.db2.gz XTQIPZSUUCFLPD-ZDUSSCGKSA-N 1 1 218.344 2.755 40 0 BFABMO O=Cc1ccc(C[NH+]2CCCCC2)c(F)c1 ZINC000095738664 387003763 /nfs/dbraw/zinc/00/37/63/387003763.db2.gz LKHJLSDVDGKFHF-UHFFFAOYSA-N 1 1 221.275 2.624 40 0 BFABMO [NH3+]Cc1nc(-c2ccc(Cl)cc2Cl)no1 ZINC000022119754 387264091 /nfs/dbraw/zinc/26/40/91/387264091.db2.gz HOZBPQPWWKIFIJ-UHFFFAOYSA-N 1 1 244.081 2.502 40 0 BFABMO Cc1cc(C)cc(NC(=O)[C@H]2CCC[N@H+](C)C2)c1 ZINC000082322888 177908560 /nfs/dbraw/zinc/90/85/60/177908560.db2.gz CNLSHHRDAWEPFH-ZDUSSCGKSA-N 1 1 246.354 2.584 40 0 BFABMO CCCCCC[C@@H](C)[N@H+]1CCNC[C@H]1C ZINC000238808729 387936045 /nfs/dbraw/zinc/93/60/45/387936045.db2.gz DWUSIMXKIRNGMX-CHWSQXEVSA-N 1 1 212.381 2.639 40 0 BFABMO CCCCCC[C@@H](C)N1CC[NH2+]C[C@H]1C ZINC000238808729 387936048 /nfs/dbraw/zinc/93/60/48/387936048.db2.gz DWUSIMXKIRNGMX-CHWSQXEVSA-N 1 1 212.381 2.639 40 0 BFABMO CC[N@H+]1CCCCC[C@@H]1[C@H]1CCCC1=O ZINC000242722855 388400554 /nfs/dbraw/zinc/40/05/54/388400554.db2.gz XXBZXXWRTLZNRL-VXGBXAGGSA-N 1 1 209.333 2.620 40 0 BFABMO [NH3+][C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(Cl)cc1 ZINC000072411168 388639798 /nfs/dbraw/zinc/63/97/98/388639798.db2.gz FBVLDSYXYDSPMZ-OLZOCXBDSA-N 1 1 238.762 2.700 40 0 BFABMO [NH3+][C@H]1CCCC[C@@H]1[NH2+]Cc1cccc(Cl)c1 ZINC000072411148 388639887 /nfs/dbraw/zinc/63/98/87/388639887.db2.gz JHYUHPXZSRIESE-STQMWFEESA-N 1 1 238.762 2.700 40 0 BFABMO CC(C)(C)c1nnc([C@@H]([NH3+])Cc2ccccc2)o1 ZINC000011586930 388707502 /nfs/dbraw/zinc/70/75/02/388707502.db2.gz STMMRHAUCXVLCN-NSHDSACASA-N 1 1 245.326 2.610 40 0 BFABMO CC(C)C[C@@H]([NH3+])CN1CCCCCCC1 ZINC000020266227 388761021 /nfs/dbraw/zinc/76/10/21/388761021.db2.gz XBYQWLOMNCKGFY-CYBMUJFWSA-N 1 1 212.381 2.626 40 0 BFABMO CNc1ccc([NH+]2CCC(C)CC2)cc1 ZINC000062796638 132240937 /nfs/dbraw/zinc/24/09/37/132240937.db2.gz WJXZRGVANREKBO-UHFFFAOYSA-N 1 1 204.317 2.965 40 0 BFABMO C[C@@H](CF)[NH2+]Cc1ccsc1Cl ZINC000308072019 397810082 /nfs/dbraw/zinc/81/00/82/397810082.db2.gz CETSTYOEETWVBX-LURJTMIESA-N 1 1 207.701 2.849 40 0 BFABMO CC1CC[NH+](Cc2ccc(C=O)cc2F)CC1 ZINC000095738674 168185147 /nfs/dbraw/zinc/18/51/47/168185147.db2.gz NOTCIFWPAIARTM-UHFFFAOYSA-N 1 1 235.302 2.870 40 0 BFABMO CC[N@@H+](CCO)Cc1cccc(C(F)(F)F)c1 ZINC000049754292 169857580 /nfs/dbraw/zinc/85/75/80/169857580.db2.gz NCYFIWMGXZBQJZ-UHFFFAOYSA-N 1 1 247.260 2.520 40 0 BFABMO CC[N@H+]1CCC[C@@H]1c1ccc(OC)cc1 ZINC000072221502 169974935 /nfs/dbraw/zinc/97/49/35/169974935.db2.gz QJOLABOJHFCGJD-CYBMUJFWSA-N 1 1 205.301 2.852 40 0 BFABMO CCn1nc(C)c(C[NH2+]Cc2ccccc2)c1F ZINC000256054034 172247436 /nfs/dbraw/zinc/24/74/36/172247436.db2.gz USBBVANZHJSZAW-UHFFFAOYSA-N 1 1 247.317 2.640 40 0 BFABMO C[N@H+]1CCC[C@@H]1c1ccnc(-c2ccccc2)n1 ZINC000072376464 173035584 /nfs/dbraw/zinc/03/55/84/173035584.db2.gz UGRBIULZBMCBGW-CQSZACIVSA-N 1 1 239.322 2.910 40 0 BFABMO C[NH2+]C1CCN(CC/C=C/c2ccccc2)CC1 ZINC000079438629 173323293 /nfs/dbraw/zinc/32/32/93/173323293.db2.gz PGEDAWRQGWMTAL-WEVVVXLNSA-N 1 1 244.382 2.774 40 0 BFABMO C[C@@H](c1cccc(Cl)c1)[N@H+]1CCC[C@@H](O)C1 ZINC000100213378 176018267 /nfs/dbraw/zinc/01/82/67/176018267.db2.gz JWCOLZVFSATOJX-GXFFZTMASA-N 1 1 239.746 2.858 40 0 BFABMO C[C@@H]1CCCC[N@H+]1Cc1ccc(C=O)cc1 ZINC000095738618 176072938 /nfs/dbraw/zinc/07/29/38/176072938.db2.gz HROYHAJNIGCHGG-GFCCVEGCSA-N 1 1 217.312 2.874 40 0 BFABMO C[C@H]1CCCCC[N@H+]1CCN1CCCCC1 ZINC000019365575 177069868 /nfs/dbraw/zinc/06/98/68/177069868.db2.gz YZYCPFNFIWJCEO-AWEZNQCLSA-N 1 1 224.392 2.737 40 0 BFABMO C[C@H]1CCCC[N@H+]1C[C@@H](CO)c1ccccc1 ZINC000012650201 177076216 /nfs/dbraw/zinc/07/62/16/177076216.db2.gz UIKUEKDWMHIBRL-ZFWWWQNUSA-N 1 1 233.355 2.637 40 0 BFABMO C[C@H]1C[C@H]2CC(=O)[C@H]3CCC[N@H+]4CCC[C@H]2[C@]34C1 ZINC000004166548 177387421 /nfs/dbraw/zinc/38/74/21/177387421.db2.gz BCZFSDNVXODRAJ-ZHMBSYLPSA-N 1 1 247.382 2.866 40 0 biogenic,in-vitro BFABMO Cc1cc(C[N@H+]2CC[C@]3(CCCO3)C2)oc1C ZINC000096051024 178002784 /nfs/dbraw/zinc/00/27/84/178002784.db2.gz RVFBVGAJRGMHIA-CQSZACIVSA-N 1 1 235.327 2.651 40 0 BFABMO Cc1ccc(-c2ccc3c(c2)[C@H]([NH3+])C(=O)N3)cc1 ZINC000254286883 178325131 /nfs/dbraw/zinc/32/51/31/178325131.db2.gz OGOQLZQTSIHECJ-AWEZNQCLSA-N 1 1 238.290 2.614 40 0 BFABMO CC[N@H+]1CCC[C@H]1c1ccc(Cl)nc1 ZINC000072211443 259317392 /nfs/dbraw/zinc/31/73/92/259317392.db2.gz QVQHNRNGAKKSKS-JTQLQIEISA-N 1 1 210.708 2.892 40 0 BFABMO CC[N@H+]1CCCC[C@@H]1c1cnc(N)c(C)c1 ZINC000072218456 259318475 /nfs/dbraw/zinc/31/84/75/259318475.db2.gz IDKDRDRGFZTVGQ-GFCCVEGCSA-N 1 1 219.332 2.519 40 0 BFABMO CC[N@H+]1CCCC[C@H]1c1ccc(OC)nc1C ZINC000072218093 259318268 /nfs/dbraw/zinc/31/82/68/259318268.db2.gz JKVSSEBBQSEGFY-ZDUSSCGKSA-N 1 1 234.343 2.946 40 0 BFABMO CSc1ncccc1[C@@H]1CCC[N@H+]1C ZINC000072216927 259318436 /nfs/dbraw/zinc/31/84/36/259318436.db2.gz YNDNPNAULCMPDB-JTQLQIEISA-N 1 1 208.330 2.570 40 0 BFABMO Cc1[nH+]c(NC(C)(C)C)ccc1[C@H](C)O ZINC000072225013 259322030 /nfs/dbraw/zinc/32/20/30/259322030.db2.gz IKGBIXPLBDOJTI-VIFPVBQESA-N 1 1 208.305 2.654 40 0 BFABMO CCCCn1cc(CNc2[nH+]cccc2C)cn1 ZINC000072226471 259322785 /nfs/dbraw/zinc/32/27/85/259322785.db2.gz RUUAHZPEMYWQFJ-UHFFFAOYSA-N 1 1 244.342 2.999 40 0 BFABMO CCCC[N@@H+](C)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000013424786 342866788 /nfs/dbraw/zinc/86/67/88/342866788.db2.gz FJIKJFWKVKMDTN-GXTWGEPZSA-N 1 1 221.344 2.840 40 0 BFABMO Cc1nc(Nc2ccccc2Cl)cc(N)[nH+]1 ZINC000049467339 343598849 /nfs/dbraw/zinc/59/88/49/343598849.db2.gz ZOUWSFTUPDZHLR-UHFFFAOYSA-N 1 1 234.690 2.764 40 0 BFABMO C[C@@H](N[C@H]1CCCC[C@@H]1[NH3+])c1ccccc1 ZINC000145838461 344685807 /nfs/dbraw/zinc/68/58/07/344685807.db2.gz QQTZYYSHFALROI-XBFCOCLRSA-N 1 1 218.344 2.607 40 0 BFABMO Cc1ccc([C@@H](CN)[NH+]2CCCCC2)cc1C ZINC000095532269 178853536 /nfs/dbraw/zinc/85/35/36/178853536.db2.gz UQRQNEQUMXFKIZ-OAHLLOKOSA-N 1 1 232.371 2.789 40 0 BFABMO Cc1cccc(NC(=O)[C@H]2CCC[N@H+](C)C2)c1C ZINC000082323062 179140678 /nfs/dbraw/zinc/14/06/78/179140678.db2.gz QUJXCEFJNPZIGO-ZDUSSCGKSA-N 1 1 246.354 2.584 40 0 BFABMO CCC[C@H]1C[N@H+](Cc2ccccc2)CCC1=O ZINC000039370479 347190075 /nfs/dbraw/zinc/19/00/75/347190075.db2.gz LREIAPHWNGPAPR-AWEZNQCLSA-N 1 1 231.339 2.878 40 0 BFABMO CCC[C@H]1C[N@@H+](Cc2ccccc2)CCC1=O ZINC000039370479 347190079 /nfs/dbraw/zinc/19/00/79/347190079.db2.gz LREIAPHWNGPAPR-AWEZNQCLSA-N 1 1 231.339 2.878 40 0 BFABMO Cc1cccc([C@@H]2CCC[N@@H+]2C(C)C)n1 ZINC000072211077 179190208 /nfs/dbraw/zinc/19/02/08/179190208.db2.gz GQGOEBQXUMXYPY-ZDUSSCGKSA-N 1 1 204.317 2.935 40 0 BFABMO Cc1ccc(C[C@@]2(O)C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000004016383 347640547 /nfs/dbraw/zinc/64/05/47/347640547.db2.gz PPFGJYUAWQBXHF-LZWOXQAQSA-N 1 1 247.382 2.629 40 0 BFABMO O=[N+]1N[C@@H]2CCCC[C@@H]2N1OCc1ccccc1 ZINC000004837204 348140736 /nfs/dbraw/zinc/14/07/36/348140736.db2.gz NCRUWSXQSHNFIR-OLZOCXBDSA-N 1 1 247.298 2.623 40 0 BFABMO Cc1ccsc1C[N@H+]1CC[C@@H](c2cc[nH]n2)C1 ZINC000205676267 348572390 /nfs/dbraw/zinc/57/23/90/348572390.db2.gz VYRDEARTBXNMIW-LLVKDONJSA-N 1 1 247.367 2.769 40 0 BFABMO Cc1ccsc1C[N@@H+]1CC[C@@H](c2ccn[nH]2)C1 ZINC000205676267 348572393 /nfs/dbraw/zinc/57/23/93/348572393.db2.gz VYRDEARTBXNMIW-LLVKDONJSA-N 1 1 247.367 2.769 40 0 BFABMO Cc1ccsc1C[N@H+]1CC[C@@H](c2ccn[nH]2)C1 ZINC000205676267 348572396 /nfs/dbraw/zinc/57/23/96/348572396.db2.gz VYRDEARTBXNMIW-LLVKDONJSA-N 1 1 247.367 2.769 40 0 BFABMO CC(C)c1ccc([C@H](CN)[NH+]2CCCC2)cc1 ZINC000038827574 350324197 /nfs/dbraw/zinc/32/41/97/350324197.db2.gz TWJVTFWLVAGBPQ-HNNXBMFYSA-N 1 1 232.371 2.906 40 0 BFABMO CC(C)C[N@H+]1CCC[C@@H]1c1cccnc1 ZINC000038251932 363148378 /nfs/dbraw/zinc/14/83/78/363148378.db2.gz GLJJMSCSMAMGLB-CYBMUJFWSA-N 1 1 204.317 2.875 40 0 BFABMO C[C@H]([NH3+])c1nc(-c2c(F)cccc2Cl)no1 ZINC000019785467 352740005 /nfs/dbraw/zinc/74/00/05/352740005.db2.gz HCPRVGSZUGPTNY-YFKPBYRVSA-N 1 1 241.653 2.549 40 0 BFABMO Cc1[nH+]c2cc(C)c(N)cc2n1C(C)C ZINC000223769899 188180338 /nfs/dbraw/zinc/18/03/38/188180338.db2.gz SYGQPQQWURDNGJ-UHFFFAOYSA-N 1 1 203.289 2.816 40 0 BFABMO CN(C)c1cc[nH+]c2cc(Cl)ccc21 ZINC000021989502 357340314 /nfs/dbraw/zinc/34/03/14/357340314.db2.gz CNGZPOQQPLFGFN-UHFFFAOYSA-N 1 1 206.676 2.954 40 0 BFABMO Cc1cc(N)ncc1[C@@H]1CCC[N@@H+]1C(C)C ZINC000072218499 259529808 /nfs/dbraw/zinc/52/98/08/259529808.db2.gz AYDTXEDZYDJRQQ-LBPRGKRZSA-N 1 1 219.332 2.518 40 0 BFABMO CC(C)C[C@H]([NH3+])c1nnc(-c2ccccc2)o1 ZINC000011586618 370727126 /nfs/dbraw/zinc/72/71/26/370727126.db2.gz JHYINNKFJSWFRX-NSHDSACASA-N 1 1 231.299 2.783 40 0 BFABMO CC[N@H+]1CCC[C@H]1c1ccccc1OC ZINC000069084139 370880425 /nfs/dbraw/zinc/88/04/25/370880425.db2.gz RUQZDAUERWDMOB-LBPRGKRZSA-N 1 1 205.301 2.852 40 0 BFABMO CC(C)[N@@H+](CCO)Cc1ccccc1Cl ZINC000049824759 383818683 /nfs/dbraw/zinc/81/86/83/383818683.db2.gz RBEFMUWZLOXVFQ-UHFFFAOYSA-N 1 1 227.735 2.543 40 0 BFABMO Cc1ccc2[nH]c(C3=CC[N@@H+](C)CC3)nc2c1 ZINC000073636230 384027897 /nfs/dbraw/zinc/02/78/97/384027897.db2.gz WALWVNGRQZYAQF-UHFFFAOYSA-N 1 1 227.311 2.590 40 0 BFABMO Cc1ccc2nc(C3=CC[N@H+](C)CC3)[nH]c2c1 ZINC000073636230 384027904 /nfs/dbraw/zinc/02/79/04/384027904.db2.gz WALWVNGRQZYAQF-UHFFFAOYSA-N 1 1 227.311 2.590 40 0 BFABMO Cc1ccc2nc(C3=CC[N@@H+](C)CC3)[nH]c2c1 ZINC000073636230 384027909 /nfs/dbraw/zinc/02/79/09/384027909.db2.gz WALWVNGRQZYAQF-UHFFFAOYSA-N 1 1 227.311 2.590 40 0 BFABMO CC[N@H+](CCO)Cc1cc(Cl)ccc1Cl ZINC000079420126 384142044 /nfs/dbraw/zinc/14/20/44/384142044.db2.gz IJULPWHJYKJHBI-UHFFFAOYSA-N 1 1 248.153 2.808 40 0 BFABMO CC[N@@H+](CCO)Cc1cc(Cl)ccc1Cl ZINC000079420126 384142049 /nfs/dbraw/zinc/14/20/49/384142049.db2.gz IJULPWHJYKJHBI-UHFFFAOYSA-N 1 1 248.153 2.808 40 0 BFABMO Cc1ccnc([C@@H]2CCC[N@H+]2C2CCCC2)n1 ZINC000072356822 384209654 /nfs/dbraw/zinc/20/96/54/384209654.db2.gz FUAFOOKKABMJNC-ZDUSSCGKSA-N 1 1 231.343 2.865 40 0 BFABMO Fc1ccc(C[N@H+]2CC[C@@H](c3cc[nH]n3)C2)cc1 ZINC000072381367 384217262 /nfs/dbraw/zinc/21/72/62/384217262.db2.gz NESDFRLKGQANKE-GFCCVEGCSA-N 1 1 245.301 2.538 40 0 BFABMO COC[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccc(C)o1)C2 ZINC000096109135 384433392 /nfs/dbraw/zinc/43/33/92/384433392.db2.gz DBRRNNBBTLRAIL-HIFRSBDPSA-N 1 1 249.354 2.837 40 0 BFABMO CN(C)CC[NH2+]Cc1cccc(Cl)c1Cl ZINC000019481943 384526287 /nfs/dbraw/zinc/52/62/87/384526287.db2.gz LACBMRGGBAWVQG-UHFFFAOYSA-N 1 1 247.169 2.645 40 0 BFABMO c1cc(C[NH+]2CCOCC2)c2cccccc1-2 ZINC000020247314 384603884 /nfs/dbraw/zinc/60/38/84/384603884.db2.gz SVEKBBIZLJGEQF-UHFFFAOYSA-N 1 1 227.307 2.624 40 0 BFABMO Nc1c(-c2ccc(F)cc2)[nH+]cn1C1CC1 ZINC000100761244 384653180 /nfs/dbraw/zinc/65/31/80/384653180.db2.gz SOVZWPSENCYZAI-UHFFFAOYSA-N 1 1 217.247 2.606 40 0 BFABMO CC[NH+](CC)[C@H](C)CNCc1ccccc1 ZINC000022073552 384731384 /nfs/dbraw/zinc/73/13/84/384731384.db2.gz GHYOQHQWUGEZDX-CYBMUJFWSA-N 1 1 220.360 2.507 40 0 BFABMO Cc1cccnc1[C@@H]1CCC[N@@H+]1C(C)C ZINC000072211131 385067475 /nfs/dbraw/zinc/06/74/75/385067475.db2.gz CEAYLXAQBWMYOM-LBPRGKRZSA-N 1 1 204.317 2.935 40 0 BFABMO CCC[N@H+]1CCC[C@H]1c1cccnc1OC ZINC000072211723 385072132 /nfs/dbraw/zinc/07/21/32/385072132.db2.gz AGVAVZBTHHYFTQ-LBPRGKRZSA-N 1 1 220.316 2.637 40 0 BFABMO CNc1ncccc1[C@H]1CCC[N@H+]1CC(C)C ZINC000072212539 385074631 /nfs/dbraw/zinc/07/46/31/385074631.db2.gz KPBBHRXXNPUMMF-CYBMUJFWSA-N 1 1 233.359 2.916 40 0 BFABMO CC(C)C[N@H+]1CCCC[C@@H]1c1cccnc1N ZINC000072212438 385075617 /nfs/dbraw/zinc/07/56/17/385075617.db2.gz CNIKTXWPCQHJFY-CYBMUJFWSA-N 1 1 233.359 2.847 40 0 BFABMO CCOc1ncccc1[C@H]1CCCC[N@H+]1C ZINC000072211854 385076792 /nfs/dbraw/zinc/07/67/92/385076792.db2.gz VHUAAWYMKMQILA-GFCCVEGCSA-N 1 1 220.316 2.637 40 0 BFABMO CC(C)C[N@H+]1CCCC[C@@H]1c1ccc(N)nc1 ZINC000072212382 385076818 /nfs/dbraw/zinc/07/68/18/385076818.db2.gz BHTZXZABXIYFRS-CYBMUJFWSA-N 1 1 233.359 2.847 40 0 BFABMO CCN(C)c1ncccc1[C@@H]1CCC[N@H+]1CC ZINC000072212768 385080368 /nfs/dbraw/zinc/08/03/68/385080368.db2.gz JLIIXLBLWBXILE-ZDUSSCGKSA-N 1 1 233.359 2.695 40 0 BFABMO Cc1cc(N2CCCCCC2)[nH+]cc1[C@H](C)O ZINC000072223525 385112421 /nfs/dbraw/zinc/11/24/21/385112421.db2.gz PVIMZFKUNIGMMT-LBPRGKRZSA-N 1 1 234.343 2.824 40 0 BFABMO Cc1[nH+]c(N(C)C)ccc1[C@@H](O)c1ccccc1 ZINC000072224151 385116214 /nfs/dbraw/zinc/11/62/14/385116214.db2.gz XENKJUSJZGJCMB-HNNXBMFYSA-N 1 1 242.322 2.538 40 0 BFABMO COc1cc(C)c([C@H]2CCCC[N@H+]2C)cn1 ZINC000072218031 385087359 /nfs/dbraw/zinc/08/73/59/385087359.db2.gz YSKDLSHHGZESFB-GFCCVEGCSA-N 1 1 220.316 2.555 40 0 BFABMO Cc1cc([C@H]2CCC[N@@H+]2C)cnc1Cl ZINC000072217766 385093212 /nfs/dbraw/zinc/09/32/12/385093212.db2.gz WMIQGBVZWHDJSW-SNVBAGLBSA-N 1 1 210.708 2.810 40 0 BFABMO CC[N@H+]1CCCC[C@H]1c1ccc[nH]c1=S ZINC000072217078 385096033 /nfs/dbraw/zinc/09/60/33/385096033.db2.gz JKQZEQWWDHVWOR-NSHDSACASA-N 1 1 222.357 2.917 40 0 BFABMO CC(C)[N@H+]1CCC[C@H]1c1ccc(=S)[nH]c1 ZINC000072217001 385098025 /nfs/dbraw/zinc/09/80/25/385098025.db2.gz RVLVPNUOKWDHEN-NSHDSACASA-N 1 1 222.357 2.916 40 0 BFABMO CC(C)[N@H+]1CCC[C@@H]1c1ccc[nH]c1=S ZINC000072217060 385098885 /nfs/dbraw/zinc/09/88/85/385098885.db2.gz PISWEHSIECXZPC-LLVKDONJSA-N 1 1 222.357 2.916 40 0 BFABMO Cc1cc([C@H]2CCC[N@@H+]2C(C)C)cnc1N ZINC000072218440 385100989 /nfs/dbraw/zinc/10/09/89/385100989.db2.gz YLSLKMMWNNPBTC-GFCCVEGCSA-N 1 1 219.332 2.518 40 0 BFABMO CCC[N@H+]1CCC[C@H]1c1ccc(NC)nc1C ZINC000072219102 385103667 /nfs/dbraw/zinc/10/36/67/385103667.db2.gz OROIEMVNIFUPNQ-ZDUSSCGKSA-N 1 1 233.359 2.979 40 0 BFABMO CNc1cc(C)c([C@@H]2CCC[N@H+]2C(C)C)cn1 ZINC000072219039 385104015 /nfs/dbraw/zinc/10/40/15/385104015.db2.gz UCVWMICISYHAPJ-ZDUSSCGKSA-N 1 1 233.359 2.977 40 0 BFABMO CC[N@@H+](C[C@@H](N)CCSC)C1CCCCC1 ZINC000096523869 385271288 /nfs/dbraw/zinc/27/12/88/385271288.db2.gz UEMCHYRWCXPGHN-LBPRGKRZSA-N 1 1 244.448 2.721 40 0 BFABMO Cc1[nH+]c2cc(C)c(N)cc2n1C1CC1 ZINC000223769980 386099666 /nfs/dbraw/zinc/09/96/66/386099666.db2.gz QARANTBBSPTYSF-UHFFFAOYSA-N 1 1 201.273 2.570 40 0 BFABMO Cc1c(C[NH2+]Cc2ccco2)cnn1C(C)C ZINC000256050237 387859478 /nfs/dbraw/zinc/85/94/78/387859478.db2.gz DGQIGBZXSMDDFC-UHFFFAOYSA-N 1 1 233.315 2.655 40 0 BFABMO [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(Cl)cc1 ZINC000072411166 388639851 /nfs/dbraw/zinc/63/98/51/388639851.db2.gz FBVLDSYXYDSPMZ-CHWSQXEVSA-N 1 1 238.762 2.700 40 0 BFABMO C([C@H]1CCCC[NH2+]1)N1CC[C@@H]2CCCC[C@H]2C1 ZINC000252470048 388652938 /nfs/dbraw/zinc/65/29/38/388652938.db2.gz SMFJJXNFNWYQPN-SOUVJXGZSA-N 1 1 236.403 2.641 40 0 BFABMO C[C@H](c1ccccc1)[N@@H+]1CCN[C@H]2CCCC[C@@H]21 ZINC000252515301 388654427 /nfs/dbraw/zinc/65/44/27/388654427.db2.gz IGOISJROXVLNGR-KBMXLJTQSA-N 1 1 244.382 2.964 40 0 BFABMO C[C@H](c1ccccc1)[N@H+]1CCN[C@H]2CCCC[C@@H]21 ZINC000252515301 388654429 /nfs/dbraw/zinc/65/44/29/388654429.db2.gz IGOISJROXVLNGR-KBMXLJTQSA-N 1 1 244.382 2.964 40 0 BFABMO C[C@H]([NH3+])c1nc(-c2ccc(C(C)(C)C)cc2)n[nH]1 ZINC000082510277 388726910 /nfs/dbraw/zinc/72/69/10/388726910.db2.gz OSGKVOMRMNTDFJ-VIFPVBQESA-N 1 1 244.342 2.789 40 0 BFABMO C[C@H](c1ccccc1)[N@@H+]1CCN[C@@H]2CCC[C@@H]21 ZINC000225718184 388843045 /nfs/dbraw/zinc/84/30/45/388843045.db2.gz GLGPYQCXXCTFDK-YUELXQCFSA-N 1 1 230.355 2.574 40 0 BFABMO C[C@H](c1ccccc1)[N@H+]1CCN[C@@H]2CCC[C@@H]21 ZINC000225718184 388843047 /nfs/dbraw/zinc/84/30/47/388843047.db2.gz GLGPYQCXXCTFDK-YUELXQCFSA-N 1 1 230.355 2.574 40 0 BFABMO CC(C)[NH2+]C[C@H]1CCCN(Cc2ccccc2)C1 ZINC000053655404 167115516 /nfs/dbraw/zinc/11/55/16/167115516.db2.gz HIBAQIRRTMTEJV-MRXNPFEDSA-N 1 1 246.398 2.897 40 0 BFABMO CC1=C[C@@H](C)[C@H](C2N3CC[N@H+]2CCC3)[C@@H](C)C1 ZINC000019325828 168125843 /nfs/dbraw/zinc/12/58/43/168125843.db2.gz HFPVWFVWBIWBRP-RDBSUJKOSA-N 1 1 234.387 2.572 40 0 BFABMO CCOC(=O)c1c[nH+]c2ccc(CC)cc2c1N ZINC000047913008 170302530 /nfs/dbraw/zinc/30/25/30/170302530.db2.gz ISTCOANWTFQKMB-UHFFFAOYSA-N 1 1 244.294 2.556 40 0 BFABMO C[N@H+]1CC[C@@H](c2c[nH]c3ccccc23)C1 ZINC000002038558 173127723 /nfs/dbraw/zinc/12/77/23/173127723.db2.gz GIUCRWSFDBHBDT-SNVBAGLBSA-N 1 1 200.285 2.587 40 0 BFABMO C[NH2+]CCCNCc1ccc(C(C)C)cc1 ZINC000007009338 173349189 /nfs/dbraw/zinc/34/91/89/173349189.db2.gz RHGCYDXRKLBSDG-UHFFFAOYSA-N 1 1 220.360 2.509 40 0 BFABMO COc1ccc(Nc2[nH+]cc(C)cc2N)cc1 ZINC000036242832 175156638 /nfs/dbraw/zinc/15/66/38/175156638.db2.gz CZAJGXSBSWFDDX-UHFFFAOYSA-N 1 1 229.283 2.724 40 0 BFABMO C[C@@H]1CCC[N@@H+](CCOc2cccc(C=O)c2)C1 ZINC000009261374 176097596 /nfs/dbraw/zinc/09/75/96/176097596.db2.gz PXOZTEYWXOHVGT-CYBMUJFWSA-N 1 1 247.338 2.610 40 0 BFABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C=O)cc2F)C1 ZINC000095738671 176099199 /nfs/dbraw/zinc/09/91/99/176099199.db2.gz WWCPNWXQDYXWIN-LLVKDONJSA-N 1 1 235.302 2.870 40 0 BFABMO C[C@H]1CCCCN1CC[N@H+]1CCCC[C@@H]1C ZINC000023292241 177075177 /nfs/dbraw/zinc/07/51/77/177075177.db2.gz HFJJHXUCQWRVQD-KBPBESRZSA-N 1 1 224.392 2.735 40 0 BFABMO C[C@H]1CCC[N@@H+](Cc2cccc(C=O)c2)C1 ZINC000095738628 177101988 /nfs/dbraw/zinc/10/19/88/177101988.db2.gz GPHCWOBTESBVSS-LBPRGKRZSA-N 1 1 217.312 2.731 40 0 BFABMO C[C@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1Nc1ccccc1 ZINC000015162504 177239894 /nfs/dbraw/zinc/23/98/94/177239894.db2.gz ULQYBPZNWILIFK-OBJOEFQTSA-N 1 1 218.344 2.827 40 0 BFABMO CC(C)c1cccc(C(C)C)c1[C@@H]([NH3+])CN ZINC000117198828 490151612 /nfs/dbraw/zinc/15/16/12/490151612.db2.gz VFSODTOUXYOMAM-ZDUSSCGKSA-N 1 1 220.360 2.892 40 0 BFABMO CCn1cc(-c2cc(N)c3ccccc3[nH+]2)cn1 ZINC001548919211 988852316 /nfs/dbraw/zinc/85/23/16/988852316.db2.gz JWFTXEVZTOZFGK-UHFFFAOYSA-N 1 1 238.294 2.700 40 0 BFABMO Cc1cc(C)nc([C@@H]2CCC[N@@H+]2C(C)C)n1 ZINC000072356995 177948674 /nfs/dbraw/zinc/94/86/74/177948674.db2.gz LZBFOCSNGSCEJE-LBPRGKRZSA-N 1 1 219.332 2.639 40 0 BFABMO Cc1ccc(C[C@@]2(O)C[C@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000000051421 398145480 /nfs/dbraw/zinc/14/54/80/398145480.db2.gz PPFGJYUAWQBXHF-DZKIICNBSA-N 1 1 247.382 2.629 40 0 BFABMO Cc1cc(Cl)ccc1C[N@H+]1CCC[C@H](O)C1 ZINC000038539794 178065857 /nfs/dbraw/zinc/06/58/57/178065857.db2.gz SMHVIVYLLVSWFQ-ZDUSSCGKSA-N 1 1 239.746 2.605 40 0 BFABMO Cc1ccccc1[C@](C)(C[NH3+])N1CCCCC1 ZINC000070453399 259313941 /nfs/dbraw/zinc/31/39/41/259313941.db2.gz ISUVNSUWUKPIGJ-HNNXBMFYSA-N 1 1 232.371 2.655 40 0 BFABMO CCCC[N@H+]1CCC[C@H]1c1cccnc1N ZINC000072212424 259317421 /nfs/dbraw/zinc/31/74/21/259317421.db2.gz OCWQFDWGLZRYQD-LBPRGKRZSA-N 1 1 219.332 2.601 40 0 BFABMO CC(C)Oc1cccc(-c2cnc(C[NH3+])o2)c1 ZINC000072220117 259318653 /nfs/dbraw/zinc/31/86/53/259318653.db2.gz VALRHIYEMZFCPI-UHFFFAOYSA-N 1 1 232.283 2.588 40 0 BFABMO Cc1[nH]c(=S)ccc1[C@@H]1CCCC[N@@H+]1C ZINC000072218394 259318022 /nfs/dbraw/zinc/31/80/22/259318022.db2.gz KFTFDPYVFMDQKE-NSHDSACASA-N 1 1 222.357 2.836 40 0 BFABMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N)nc1C ZINC000072218578 259318034 /nfs/dbraw/zinc/31/80/34/259318034.db2.gz CHFIARZGABTOLV-CYBMUJFWSA-N 1 1 233.359 2.909 40 0 BFABMO CC[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CC[N@H+]2C ZINC000005553086 342765953 /nfs/dbraw/zinc/76/59/53/342765953.db2.gz JQQICFVIEZVXBF-NUEKZKHPSA-N 1 1 245.366 2.936 40 0 BFABMO Cc1cc(N(C)C)[nH+]cc1[C@H](O)c1ccccc1 ZINC000072223108 259320596 /nfs/dbraw/zinc/32/05/96/259320596.db2.gz ZBRHQZCCNRWTJN-OAHLLOKOSA-N 1 1 242.322 2.538 40 0 BFABMO Oc1ccc(-c2c[nH+]c3n2CCCC3)cc1 ZINC000072220362 259319648 /nfs/dbraw/zinc/31/96/48/259319648.db2.gz CFBXGJOMFWINRZ-UHFFFAOYSA-N 1 1 214.268 2.592 40 0 BFABMO COc1ccc([C@@H]([NH3+])c2nc(C)cs2)cc1 ZINC000058432139 398324407 /nfs/dbraw/zinc/32/44/07/398324407.db2.gz NOQPOKVPBCXHKJ-LLVKDONJSA-N 1 1 234.324 2.508 40 0 BFABMO CCCC[C@@H](CC)C1N(C)CCC[N@H+]1C ZINC000019328485 342946010 /nfs/dbraw/zinc/94/60/10/342946010.db2.gz WPWCLYYNJKTGOQ-GFCCVEGCSA-N 1 1 212.381 2.796 40 0 BFABMO CC1(C)CO[C@@H](c2ccccc2Cl)[NH2+]1 ZINC000031638384 343222045 /nfs/dbraw/zinc/22/20/45/343222045.db2.gz RICFQRVXDUZKTL-JTQLQIEISA-N 1 1 211.692 2.737 40 0 BFABMO CC[N@@H+]1CC=C(c2nc3cc(C)ccc3[nH]2)CC1 ZINC000073636234 343357466 /nfs/dbraw/zinc/35/74/66/343357466.db2.gz CVGRNVLQGCCEHW-UHFFFAOYSA-N 1 1 241.338 2.980 40 0 BFABMO CC[N@H+]1CC=C(c2nc3ccc(C)cc3[nH]2)CC1 ZINC000073636234 343357467 /nfs/dbraw/zinc/35/74/67/343357467.db2.gz CVGRNVLQGCCEHW-UHFFFAOYSA-N 1 1 241.338 2.980 40 0 BFABMO CC[N@@H+]1CC=C(c2nc3ccc(C)cc3[nH]2)CC1 ZINC000073636234 343357469 /nfs/dbraw/zinc/35/74/69/343357469.db2.gz CVGRNVLQGCCEHW-UHFFFAOYSA-N 1 1 241.338 2.980 40 0 BFABMO CCCCCC[C@H](C)[N@H+]1CCCNCC1 ZINC000038086812 343369521 /nfs/dbraw/zinc/36/95/21/343369521.db2.gz XXPQOQOJALPXKR-ZDUSSCGKSA-N 1 1 212.381 2.641 40 0 BFABMO CCCCCC[C@H](C)N1CCC[NH2+]CC1 ZINC000038086812 343369524 /nfs/dbraw/zinc/36/95/24/343369524.db2.gz XXPQOQOJALPXKR-ZDUSSCGKSA-N 1 1 212.381 2.641 40 0 BFABMO CCOc1ccccc1Nc1cc(N)[nH+]c(C)n1 ZINC000049467331 343599087 /nfs/dbraw/zinc/59/90/87/343599087.db2.gz ZNXBNAHSTZXVMG-UHFFFAOYSA-N 1 1 244.298 2.510 40 0 BFABMO Cc1nc([C@]2(C)CCC[N@H+](C)C2)c2sccn12 ZINC000585178935 344276221 /nfs/dbraw/zinc/27/62/21/344276221.db2.gz YZZMWJYCDIPNLB-CYBMUJFWSA-N 1 1 249.383 2.688 40 0 BFABMO Cc1cc([C@@H]2CCCC[N@@H+]2CC(C)C)c[nH]c1=O ZINC000072217979 344513837 /nfs/dbraw/zinc/51/38/37/344513837.db2.gz LKOXHIUQZSRIIT-AWEZNQCLSA-N 1 1 248.370 2.866 40 0 BFABMO CCC[N@H+]1CCCC[C@@H]1c1c[nH]c(=O)c(C)c1 ZINC000072217975 344513969 /nfs/dbraw/zinc/51/39/69/344513969.db2.gz YWEFFEPVIJTEDI-CYBMUJFWSA-N 1 1 234.343 2.620 40 0 BFABMO Cc1cccc(SC(F)(F)C[NH3+])c1 ZINC000131749932 345306858 /nfs/dbraw/zinc/30/68/58/345306858.db2.gz JBXSDIKFVIRBGN-UHFFFAOYSA-N 1 1 203.257 2.639 40 0 BFABMO c1cc(C[C@@H]2CCC[N@H+](C3CCCC3)C2)n[nH]1 ZINC000205691714 347452660 /nfs/dbraw/zinc/45/26/60/347452660.db2.gz HYPQWRFAILYTRL-LBPRGKRZSA-N 1 1 233.359 2.607 40 0 BFABMO c1cc(C[C@@H]2CCC[N@@H+](C3CCCC3)C2)[nH]n1 ZINC000205691714 347452661 /nfs/dbraw/zinc/45/26/61/347452661.db2.gz HYPQWRFAILYTRL-LBPRGKRZSA-N 1 1 233.359 2.607 40 0 BFABMO c1cc(C[C@@H]2CCC[N@H+](C3CCCC3)C2)[nH]n1 ZINC000205691714 347452662 /nfs/dbraw/zinc/45/26/62/347452662.db2.gz HYPQWRFAILYTRL-LBPRGKRZSA-N 1 1 233.359 2.607 40 0 BFABMO CCCCN(CCCC)C[C@@H]([NH3+])C(C)C ZINC000020485819 259403972 /nfs/dbraw/zinc/40/39/72/259403972.db2.gz LAOZXUKGSSEHFF-CYBMUJFWSA-N 1 1 214.397 2.872 40 0 BFABMO Cc1nc([C@H]2CC[N@H+](C(C)C)C2)c2sccn12 ZINC000257287951 180057993 /nfs/dbraw/zinc/05/79/93/180057993.db2.gz PSESOMSGLPJHRU-NSHDSACASA-N 1 1 249.383 2.902 40 0 BFABMO Cc1nccc([C@H]2CC[N@@H+](CC(C)(C)C)C2)n1 ZINC000257245241 180209189 /nfs/dbraw/zinc/20/91/89/180209189.db2.gz IOQVEQJQHVJMKV-LBPRGKRZSA-N 1 1 233.359 2.620 40 0 BFABMO CC[NH+](CC)CCNC/C=C/c1ccccc1 ZINC000022075263 350748850 /nfs/dbraw/zinc/74/88/50/350748850.db2.gz VWSDPYOJAJSIIR-DHZHZOJOSA-N 1 1 232.371 2.631 40 0 BFABMO Cn1ccc(C[N@H+]2CCC[C@H]2c2cccnc2)c1 ZINC000335149166 354863537 /nfs/dbraw/zinc/86/35/37/354863537.db2.gz JABSYWFCDVTOCE-HNNXBMFYSA-N 1 1 241.338 2.757 40 0 BFABMO O=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCCCC1 ZINC000054602985 363506421 /nfs/dbraw/zinc/50/64/21/363506421.db2.gz SGRWFADIJGNYFD-TXEJJXNPSA-N 1 1 207.317 2.515 40 0 BFABMO C[C@@H]1c2[nH]c3ccccc3c2CC[N@H+]1C ZINC000004974253 358417008 /nfs/dbraw/zinc/41/70/08/358417008.db2.gz VENAANZHUCMOGD-SECBINFHSA-N 1 1 200.285 2.717 40 0 BFABMO C[C@@H]1c2[nH]c3ccccc3c2CC[N@@H+]1C ZINC000004974253 358417010 /nfs/dbraw/zinc/41/70/10/358417010.db2.gz VENAANZHUCMOGD-SECBINFHSA-N 1 1 200.285 2.717 40 0 BFABMO Cc1[nH]c(=O)ccc1[C@@H]1CCC[N@@H+]1CC(C)C ZINC000072218203 259529075 /nfs/dbraw/zinc/52/90/75/259529075.db2.gz LDRCQUSDWKNCML-ZDUSSCGKSA-N 1 1 234.343 2.889 40 0 BFABMO CCCC[N@H+]1CCC[C@H]1c1ccc(N)nc1C ZINC000072218566 259529728 /nfs/dbraw/zinc/52/97/28/259529728.db2.gz IBSKPVLEQCOIGW-ZDUSSCGKSA-N 1 1 233.359 2.909 40 0 BFABMO Cc1c[nH]c([C@H]2CCC[N@H+]2C2CCCC2)n1 ZINC000205687303 368357881 /nfs/dbraw/zinc/35/78/81/368357881.db2.gz FRBSPAANGMERPJ-GFCCVEGCSA-N 1 1 219.332 2.798 40 0 BFABMO CCCCN(CCCC)C[C@H]([NH3+])CCSC ZINC000096523878 168806874 /nfs/dbraw/zinc/80/68/74/168806874.db2.gz BAJOUZJRQIYZEX-CYBMUJFWSA-N 1 1 246.464 2.969 40 0 BFABMO O[C@H]1CCCC[C@H]1[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000004030714 183232204 /nfs/dbraw/zinc/23/22/04/183232204.db2.gz LRWOETBLULBTDE-XHSDSOJGSA-N 1 1 245.366 2.779 40 0 BFABMO S=C1[C@H]2CCC[C@H]2[NH+]=C2c3ccccc3CN21 ZINC000016756651 183313888 /nfs/dbraw/zinc/31/38/88/183313888.db2.gz NDRSTSINJROXCG-NWDGAFQWSA-N 1 1 242.347 2.759 40 0 BFABMO c1ccc(-c2nc([C@@H]3CCCC[NH2+]3)no2)cc1 ZINC000041065908 183381869 /nfs/dbraw/zinc/38/18/69/183381869.db2.gz WBJUCZZNHYPVMB-NSHDSACASA-N 1 1 229.283 2.551 40 0 BFABMO c1cc([C@@H]2CCC[N@H+]2C2CCCCC2)n[nH]1 ZINC000072348434 183361111 /nfs/dbraw/zinc/36/11/11/183361111.db2.gz ULNDKEKWOUVJLM-ZDUSSCGKSA-N 1 1 219.332 2.879 40 0 BFABMO c1ccc(C[N@H+]2CCC[C@H]2c2cnccn2)cc1 ZINC000072356846 183398958 /nfs/dbraw/zinc/39/89/58/183398958.db2.gz QFUBEALLAKBAAJ-HNNXBMFYSA-N 1 1 239.322 2.814 40 0 BFABMO CCCCCC[C@H](C)[N@H+]1CCNC[C@@H]1C ZINC000067802991 383950217 /nfs/dbraw/zinc/95/02/17/383950217.db2.gz DWUSIMXKIRNGMX-STQMWFEESA-N 1 1 212.381 2.639 40 0 BFABMO CCCCCC[C@H](C)N1CC[NH2+]C[C@@H]1C ZINC000067802991 383950221 /nfs/dbraw/zinc/95/02/21/383950221.db2.gz DWUSIMXKIRNGMX-STQMWFEESA-N 1 1 212.381 2.639 40 0 BFABMO Cc1ccc([C@@]2(O)C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000002565498 383976613 /nfs/dbraw/zinc/97/66/13/383976613.db2.gz CFZMSXAIXMGEAH-GZBFAFLISA-N 1 1 233.355 2.543 40 0 BFABMO O=C1CCC[C@@]12CC[N@@H+](Cc1ccccc1)C2 ZINC000091304766 384118772 /nfs/dbraw/zinc/11/87/72/384118772.db2.gz XRTIVWOCSUOHPQ-HNNXBMFYSA-N 1 1 229.323 2.632 40 0 BFABMO CC[C@H](c1ccccc1)[N@@H+](CCN)C(C)C ZINC000079421242 384144427 /nfs/dbraw/zinc/14/44/27/384144427.db2.gz OGQBHXGLPYWSKR-CQSZACIVSA-N 1 1 220.360 2.807 40 0 BFABMO CC[C@H](c1ccccc1)N(CC[NH3+])C(C)C ZINC000079421242 384144442 /nfs/dbraw/zinc/14/44/42/384144442.db2.gz OGQBHXGLPYWSKR-CQSZACIVSA-N 1 1 220.360 2.807 40 0 BFABMO CC(C)[N@H+](CCN)[C@@H](C)c1ccc(F)cc1 ZINC000079421274 384145055 /nfs/dbraw/zinc/14/50/55/384145055.db2.gz ZTYMKJBOIWOJED-NSHDSACASA-N 1 1 224.323 2.556 40 0 BFABMO CC(C)[N@@H+](CCN)[C@@H](C)c1ccc(F)cc1 ZINC000079421274 384145060 /nfs/dbraw/zinc/14/50/60/384145060.db2.gz ZTYMKJBOIWOJED-NSHDSACASA-N 1 1 224.323 2.556 40 0 BFABMO Cc1cc(C)nc([C@H]2CCC[N@@H+]2C(C)C)n1 ZINC000072356996 384209696 /nfs/dbraw/zinc/20/96/96/384209696.db2.gz LZBFOCSNGSCEJE-GFCCVEGCSA-N 1 1 219.332 2.639 40 0 BFABMO Cc1c[nH]nc1[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC000072356819 384209878 /nfs/dbraw/zinc/20/98/78/384209878.db2.gz AXOBEEJBNLGDCZ-LBPRGKRZSA-N 1 1 233.359 2.840 40 0 BFABMO CNc1cccc([C@H]2CCC[N@H+]2C(C)C)n1 ZINC000072356976 384210306 /nfs/dbraw/zinc/21/03/06/384210306.db2.gz JXTJELHCFGEXMU-GFCCVEGCSA-N 1 1 219.332 2.669 40 0 BFABMO Cc1ccc(NC(=O)[C@H]2CCC[N@H+](C)C2)cc1C ZINC000082322780 384666524 /nfs/dbraw/zinc/66/65/24/384666524.db2.gz WDHJBSKPWOYCGA-ZDUSSCGKSA-N 1 1 246.354 2.584 40 0 BFABMO Cc1ccc([C@@H]2CCC[N@@H+]2C(C)C)cn1 ZINC000072211238 385066892 /nfs/dbraw/zinc/06/68/92/385066892.db2.gz ICDCUNJBFATMKI-ZDUSSCGKSA-N 1 1 204.317 2.935 40 0 BFABMO CC[N@H+]1CCCC[C@@H]1c1cc(C)ccn1 ZINC000072211201 385069052 /nfs/dbraw/zinc/06/90/52/385069052.db2.gz WWLASKOHCPXRIO-CYBMUJFWSA-N 1 1 204.317 2.937 40 0 BFABMO CCOc1ccc([C@@H]2CCC[N@H+]2CC)cn1 ZINC000072211771 385071296 /nfs/dbraw/zinc/07/12/96/385071296.db2.gz ZJVQSDPCQGCETH-LBPRGKRZSA-N 1 1 220.316 2.637 40 0 BFABMO CCC[N@H+]1CCC[C@@H]1c1cccnc1OC ZINC000072211722 385072579 /nfs/dbraw/zinc/07/25/79/385072579.db2.gz AGVAVZBTHHYFTQ-GFCCVEGCSA-N 1 1 220.316 2.637 40 0 BFABMO CCC[N@H+]1CCCC[C@@H]1c1ccc[nH]c1=O ZINC000072212324 385075548 /nfs/dbraw/zinc/07/55/48/385075548.db2.gz VMBGCYSVPLZYPF-GFCCVEGCSA-N 1 1 220.316 2.724 40 0 BFABMO CNc1ccc([C@@H]2CCC[N@H+]2C(C)C)cn1 ZINC000072212476 385076109 /nfs/dbraw/zinc/07/61/09/385076109.db2.gz FSNBEBIPIJIWLY-LBPRGKRZSA-N 1 1 219.332 2.669 40 0 BFABMO CC(C)C[N@H+]1CCC[C@@H]1c1ccc[nH]c1=O ZINC000072212309 385076545 /nfs/dbraw/zinc/07/65/45/385076545.db2.gz QBZJSACNVMFYHP-GFCCVEGCSA-N 1 1 220.316 2.580 40 0 BFABMO CC(C)C[N@H+]1CCC[C@H]1c1ccc(N(C)C)nc1 ZINC000072212600 385080352 /nfs/dbraw/zinc/08/03/52/385080352.db2.gz PHBDWPRYOISTIG-AWEZNQCLSA-N 1 1 247.386 2.941 40 0 BFABMO CC[N@H+]1CCC[C@H]1c1cnc(OC)cc1C ZINC000072218008 385093918 /nfs/dbraw/zinc/09/39/18/385093918.db2.gz ABFPSNKUMMSLSW-LBPRGKRZSA-N 1 1 220.316 2.555 40 0 BFABMO Cc1cc(N)ncc1[C@H]1CCC[N@@H+]1CC(C)C ZINC000072218504 385100370 /nfs/dbraw/zinc/10/03/70/385100370.db2.gz PZENMRJAGLLPEQ-CYBMUJFWSA-N 1 1 233.359 2.765 40 0 BFABMO CCC[N@H+]1CCC[C@@H]1c1ccc(=O)[nH]c1C ZINC000072218201 385101242 /nfs/dbraw/zinc/10/12/42/385101242.db2.gz UDRYWTZGTMQKNM-GFCCVEGCSA-N 1 1 220.316 2.643 40 0 BFABMO CC[N@H+]1CCCC[C@@H]1c1c[nH]c(=O)cc1C ZINC000072218156 385101588 /nfs/dbraw/zinc/10/15/88/385101588.db2.gz QADNEDNABLCVLB-GFCCVEGCSA-N 1 1 220.316 2.643 40 0 BFABMO Cc1nc(N2CCCC2)ccc1[C@H]1CCC[N@@H+]1C ZINC000072218906 385103308 /nfs/dbraw/zinc/10/33/08/385103308.db2.gz DSKBNCOHDBSCOK-CQSZACIVSA-N 1 1 245.370 2.757 40 0 BFABMO Cc1cc(N(C)C)ncc1[C@H]1CCCC[N@H+]1C ZINC000072218695 385103332 /nfs/dbraw/zinc/10/33/32/385103332.db2.gz DQEMMSZSOUZWSW-CYBMUJFWSA-N 1 1 233.359 2.613 40 0 BFABMO CC[N@H+]1CCCC[C@@H]1c1cnc(NC)c(C)c1 ZINC000072218996 385103979 /nfs/dbraw/zinc/10/39/79/385103979.db2.gz XKDZOOQNKZJHEH-CYBMUJFWSA-N 1 1 233.359 2.979 40 0 BFABMO CNc1cc(C)c([C@H]2CCC[N@H+]2C(C)C)cn1 ZINC000072219040 385104084 /nfs/dbraw/zinc/10/40/84/385104084.db2.gz UCVWMICISYHAPJ-CYBMUJFWSA-N 1 1 233.359 2.977 40 0 BFABMO CNc1ccc([C@@H]2CCC[N@H+]2C(C)C)c(C)n1 ZINC000072219099 385104374 /nfs/dbraw/zinc/10/43/74/385104374.db2.gz GDSWWHLNWXBWDY-ZDUSSCGKSA-N 1 1 233.359 2.977 40 0 BFABMO CCC[N@H+]1CCC[C@@H]1c1ccc(NC)nc1C ZINC000072219101 385105607 /nfs/dbraw/zinc/10/56/07/385105607.db2.gz OROIEMVNIFUPNQ-CYBMUJFWSA-N 1 1 233.359 2.979 40 0 BFABMO CC[C@]1(OC)CC[N@@H+](Cc2ccccc2)C1 ZINC000096511316 385252019 /nfs/dbraw/zinc/25/20/19/385252019.db2.gz DMBPFRSWONQBQP-AWEZNQCLSA-N 1 1 219.328 2.688 40 0 BFABMO CCCC[N@@H+](C)C[C@H]1Cc2ccccc2N1 ZINC000087655845 386958853 /nfs/dbraw/zinc/95/88/53/386958853.db2.gz XTQIPZSUUCFLPD-CYBMUJFWSA-N 1 1 218.344 2.755 40 0 BFABMO CCCC[N@@H+](C)Cc1ccc(C=O)cc1 ZINC000095739695 387004397 /nfs/dbraw/zinc/00/43/97/387004397.db2.gz FEVTUAOGRHYBEB-UHFFFAOYSA-N 1 1 205.301 2.731 40 0 BFABMO CCCn1ccc(C[NH2+]Cc2cccc(F)c2)n1 ZINC000256052399 387861159 /nfs/dbraw/zinc/86/11/59/387861159.db2.gz NDPKQUHCYHPTAS-UHFFFAOYSA-N 1 1 247.317 2.722 40 0 BFABMO C1CCC([NH+]2CCN([C@H]3C[C@H]4CC[C@@H]3C4)CC2)C1 ZINC000019831961 388748443 /nfs/dbraw/zinc/74/84/43/388748443.db2.gz DNNZFCPRPFOCHG-LZWOXQAQSA-N 1 1 248.414 2.735 40 0 BFABMO Cc1ccc(C[NH2+]Cc2ccoc2C)o1 ZINC000067218000 388694079 /nfs/dbraw/zinc/69/40/79/388694079.db2.gz ACRUJGASPSAACV-UHFFFAOYSA-N 1 1 205.257 2.779 40 0 BFABMO CC[C@@H](C)[C@H]([NH3+])CN1CCCCCCC1 ZINC000020266206 388761187 /nfs/dbraw/zinc/76/11/87/388761187.db2.gz YNWDMNUQHPRGFR-CHWSQXEVSA-N 1 1 212.381 2.626 40 0 BFABMO CC[C@H](C)[C@@H]([NH3+])CN1CCCCCCC1 ZINC000020266204 388762177 /nfs/dbraw/zinc/76/21/77/388762177.db2.gz YNWDMNUQHPRGFR-STQMWFEESA-N 1 1 212.381 2.626 40 0 BFABMO CC(C)[NH2+]C[C@H]1CCN(Cc2ccccc2)C1 ZINC000053012112 167115160 /nfs/dbraw/zinc/11/51/60/167115160.db2.gz ATVZOUGWKFEKFL-OAHLLOKOSA-N 1 1 232.371 2.507 40 0 BFABMO CC1=C[C@@H](C)[C@H](C[NH2+]CCCN(C)C)[C@H](C)C1 ZINC000004612810 168124835 /nfs/dbraw/zinc/12/48/35/168124835.db2.gz TZIMJQBDMVLZIZ-KFWWJZLASA-N 1 1 238.419 2.766 40 0 BFABMO CC[N@@H+]1CCc2ccc(Br)cc2C1 ZINC000074449397 170025804 /nfs/dbraw/zinc/02/58/04/170025804.db2.gz NCOSMKSZJWWNEB-UHFFFAOYSA-N 1 1 240.144 2.827 40 0 BFABMO CC[N@H+]1CCc2ccc(Br)cc2C1 ZINC000074449397 170025805 /nfs/dbraw/zinc/02/58/05/170025805.db2.gz NCOSMKSZJWWNEB-UHFFFAOYSA-N 1 1 240.144 2.827 40 0 BFABMO CC[N@H+]1[C@@H](C)Cc2[nH]ccc2[C@@H]1C(C)C ZINC000223711949 170041614 /nfs/dbraw/zinc/04/16/14/170041614.db2.gz WRQVWPDZJOZRFL-GWCFXTLKSA-N 1 1 206.333 2.978 40 0 BFABMO CCOc1ccc(Nc2cc(N)[nH+]c(C)n2)cc1 ZINC000049467304 170553647 /nfs/dbraw/zinc/55/36/47/170553647.db2.gz OJVKOHXFCDWFRV-UHFFFAOYSA-N 1 1 244.298 2.510 40 0 BFABMO C[N@H+]1CCC[C@H]1c1cccnc1Br ZINC000072211597 173058287 /nfs/dbraw/zinc/05/82/87/173058287.db2.gz HEHGGBCISFGVSD-VIFPVBQESA-N 1 1 241.132 2.611 40 0 BFABMO C[N@@H+]1CCC[C@H]1c1cccnc1Br ZINC000072211597 173058286 /nfs/dbraw/zinc/05/82/86/173058286.db2.gz HEHGGBCISFGVSD-VIFPVBQESA-N 1 1 241.132 2.611 40 0 BFABMO C[N@H+]1CCC[C@H]1c1ccnc(-c2ccccc2)n1 ZINC000072376465 173060437 /nfs/dbraw/zinc/06/04/37/173060437.db2.gz UGRBIULZBMCBGW-AWEZNQCLSA-N 1 1 239.322 2.910 40 0 BFABMO C[N@H+]1CC[C@H](c2c[nH]c3ccccc23)C1 ZINC000001676213 173156355 /nfs/dbraw/zinc/15/63/55/173156355.db2.gz GIUCRWSFDBHBDT-JTQLQIEISA-N 1 1 200.285 2.587 40 0 BFABMO C[C@@H]1CCCC[N@H+]1CCOc1cccc(C=O)c1 ZINC000009261369 176072332 /nfs/dbraw/zinc/07/23/32/176072332.db2.gz RBAGCJNEWBKCOX-CYBMUJFWSA-N 1 1 247.338 2.752 40 0 BFABMO C[C@@H]1CCCC[N@H+]1Cc1cccc(O)c1 ZINC000062183927 176073358 /nfs/dbraw/zinc/07/33/58/176073358.db2.gz KHMPYRXDRBTNHP-LLVKDONJSA-N 1 1 205.301 2.767 40 0 BFABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C=O)cc2)C1 ZINC000095738624 176100415 /nfs/dbraw/zinc/10/04/15/176100415.db2.gz SNIOBGRBIBSYSZ-GFCCVEGCSA-N 1 1 217.312 2.731 40 0 BFABMO C[C@@H]1C[N@@H+](C)C(C)(C)C[C@]1(O)c1ccccc1 ZINC000004743700 176265840 /nfs/dbraw/zinc/26/58/40/176265840.db2.gz SSRPOTWODWIGHO-IUODEOHRSA-N 1 1 233.355 2.624 40 0 BFABMO C[C@H]1CCC2(C1)CC[NH+](CCCN(C)C)CC2 ZINC000001621346 177069677 /nfs/dbraw/zinc/06/96/77/177069677.db2.gz QGHXAGOEEIKNCZ-AWEZNQCLSA-N 1 1 238.419 2.840 40 0 BFABMO C[C@H]1C[C@@H]2CC[N@@H+](Cc3cccs3)C[C@H]2O1 ZINC000096062525 177352588 /nfs/dbraw/zinc/35/25/88/177352588.db2.gz YJSUDKPLPWIBKV-GMXVVIOVSA-N 1 1 237.368 2.747 40 0 BFABMO C[C@@H]1C[C@H]2CC(=O)[C@H]3CCC[N@H+]4CCC[C@H]2[C@]34C1 ZINC000004098396 487794107 /nfs/dbraw/zinc/79/41/07/487794107.db2.gz BCZFSDNVXODRAJ-JTTNIQEDSA-N 1 1 247.382 2.866 40 0 in-vitro BFABMO Cc1cc(Cl)ccc1C[N@H+]1CCC[C@@H](O)C1 ZINC000038539784 178066500 /nfs/dbraw/zinc/06/65/00/178066500.db2.gz SMHVIVYLLVSWFQ-CYBMUJFWSA-N 1 1 239.746 2.605 40 0 BFABMO CC(C)C[N@H+]1CCC[C@H]1c1ccc(=O)[nH]c1 ZINC000072212260 259317558 /nfs/dbraw/zinc/31/75/58/259317558.db2.gz OMXZNEJKYYTTCN-LBPRGKRZSA-N 1 1 220.316 2.580 40 0 BFABMO Cc1nc(N)ccc1[C@H]1CCCC[N@@H+]1C(C)C ZINC000072218581 259318047 /nfs/dbraw/zinc/31/80/47/259318047.db2.gz AOUAIZCRWOKPBQ-CYBMUJFWSA-N 1 1 233.359 2.908 40 0 BFABMO CC[N@H+]1CCCC[C@@H]1c1ccc(N)nc1C ZINC000072218576 259318213 /nfs/dbraw/zinc/31/82/13/259318213.db2.gz JWFCXPDYZNTVNG-GFCCVEGCSA-N 1 1 219.332 2.519 40 0 BFABMO C[NH+](C)[C@@H]1CCc2ccc3ccccc3c2C1=O ZINC000004914036 342754296 /nfs/dbraw/zinc/75/42/96/342754296.db2.gz MXWZALYVSNMPDC-CQSZACIVSA-N 1 1 239.318 2.899 40 0 BFABMO CCCOc1cccc(-c2cnc(C[NH3+])o2)c1 ZINC000072220119 259318997 /nfs/dbraw/zinc/31/89/97/259318997.db2.gz LYQCKGBNSFIOQR-UHFFFAOYSA-N 1 1 232.283 2.589 40 0 BFABMO Cc1cc(N(C)C)[nH+]cc1[C@@H](O)c1ccccc1 ZINC000072223109 259320832 /nfs/dbraw/zinc/32/08/32/259320832.db2.gz ZBRHQZCCNRWTJN-HNNXBMFYSA-N 1 1 242.322 2.538 40 0 BFABMO C[C@H](N[C@H]1CCCC[C@@H]1[NH3+])c1ccccc1 ZINC000145838646 259324727 /nfs/dbraw/zinc/32/47/27/259324727.db2.gz QQTZYYSHFALROI-UBHSHLNASA-N 1 1 218.344 2.607 40 0 BFABMO c1ccc(C2=N[C@H]3CCCC[C@@H]3[NH+]=CC2)cc1 ZINC000020153852 342972131 /nfs/dbraw/zinc/97/21/31/342972131.db2.gz VVUDASVFKRRYKL-GJZGRUSLSA-N 1 1 226.323 2.904 40 0 BFABMO CNc1ccc([C@H](O)c2ccccc2)c(C)[nH+]1 ZINC000072224102 343436956 /nfs/dbraw/zinc/43/69/56/343436956.db2.gz DOCYCEDZMJRQRK-CQSZACIVSA-N 1 1 228.295 2.513 40 0 BFABMO C[C@@H]1CC(CO)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC000072206926 344510511 /nfs/dbraw/zinc/51/05/11/344510511.db2.gz APHDBYYXZFJYMF-NNQSOWQGSA-N 1 1 233.355 2.668 40 0 BFABMO CCC[N@H+]1CCCC[C@H]1c1c[nH]c(=O)c(C)c1 ZINC000072217976 344513960 /nfs/dbraw/zinc/51/39/60/344513960.db2.gz YWEFFEPVIJTEDI-ZDUSSCGKSA-N 1 1 234.343 2.620 40 0 BFABMO Cc1cccc(N2CCC[C@H]2c2ccncn2)[nH+]1 ZINC000257206961 179121766 /nfs/dbraw/zinc/12/17/66/179121766.db2.gz BFQSJXPNHLREPE-ZDUSSCGKSA-N 1 1 240.310 2.522 40 0 BFABMO C[N@@H+]1CCC[C@H]1c1cccc(Br)n1 ZINC000205706566 348578808 /nfs/dbraw/zinc/57/88/08/348578808.db2.gz PHJQTOONVCTRCS-VIFPVBQESA-N 1 1 241.132 2.611 40 0 BFABMO C[N@H+]1CCC[C@H]1c1cccc(Br)n1 ZINC000205706566 348578811 /nfs/dbraw/zinc/57/88/11/348578811.db2.gz PHJQTOONVCTRCS-VIFPVBQESA-N 1 1 241.132 2.611 40 0 BFABMO Cc1cnc([C@@H](C)[N@H+]2CCCC3(CC3)C2)cn1 ZINC000335893388 355687616 /nfs/dbraw/zinc/68/76/16/355687616.db2.gz LLCPBWYUGQUZSF-GFCCVEGCSA-N 1 1 231.343 2.722 40 0 BFABMO [NH3+]C1(CN2CCCCCC2)CCCCC1 ZINC000020072027 181330662 /nfs/dbraw/zinc/33/06/62/181330662.db2.gz NEUFJZQCNBXOCC-UHFFFAOYSA-N 1 1 210.365 2.524 40 0 BFABMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C[C@@H]1CC=CCC1 ZINC000246534327 364600722 /nfs/dbraw/zinc/60/07/22/364600722.db2.gz PPTRKUGASCANCS-KFWWJZLASA-N 1 1 234.387 2.511 40 0 BFABMO CC[C@H](C)[C@@H](CO)[N@@H+](C)Cc1ccccc1 ZINC000202000338 368309765 /nfs/dbraw/zinc/30/97/65/368309765.db2.gz JPXSDNBZAYWWCL-GXTWGEPZSA-N 1 1 221.344 2.525 40 0 BFABMO C[N@@H+]1CC=C(c2ccc3cc[nH]c3c2)CC1 ZINC000002526976 369048397 /nfs/dbraw/zinc/04/83/97/369048397.db2.gz FBFHQWFOTVCYJQ-UHFFFAOYSA-N 1 1 212.296 2.887 40 0 BFABMO c1ccc(C[N@H+]2CCC[C@@H]2c2cnccn2)cc1 ZINC000072356845 183399627 /nfs/dbraw/zinc/39/96/27/183399627.db2.gz QFUBEALLAKBAAJ-OAHLLOKOSA-N 1 1 239.322 2.814 40 0 BFABMO CSc1ccc(C[N@@H+](CCO)C(C)C)cc1 ZINC000049826206 383821230 /nfs/dbraw/zinc/82/12/30/383821230.db2.gz NXGVFWQABHTKLF-UHFFFAOYSA-N 1 1 239.384 2.611 40 0 BFABMO O=C1O[C@@H](c2ccccc2)C[C@H]1[NH+]1CCCCC1 ZINC000001842987 383937722 /nfs/dbraw/zinc/93/77/22/383937722.db2.gz OTUIWPRWKLUVLB-ZIAGYGMSSA-N 1 1 245.322 2.529 40 0 BFABMO C[N@H+](Cc1ccccc1)C[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1O ZINC000004900824 384088005 /nfs/dbraw/zinc/08/80/05/384088005.db2.gz PHMYEAYOKNYDGR-QXSJWSMHSA-N 1 1 245.366 2.525 40 0 BFABMO Cc1cc(C)c(NC(=O)[C@@H]2CCC[N@@H+]2C)c(C)c1 ZINC000004893735 384089340 /nfs/dbraw/zinc/08/93/40/384089340.db2.gz OHFQNJAIZIYKSC-ZDUSSCGKSA-N 1 1 246.354 2.645 40 0 BFABMO CC(C)[N@@H+]1CCC[C@H]1c1cc(C(F)(F)F)n[nH]1 ZINC000072348461 384211142 /nfs/dbraw/zinc/21/11/42/384211142.db2.gz NNCPJGLPDHUVIL-VIFPVBQESA-N 1 1 247.264 2.974 40 0 BFABMO CC(C)[N@H+]1CCC[C@H]1c1cc(C(F)(F)F)n[nH]1 ZINC000072348461 384211144 /nfs/dbraw/zinc/21/11/44/384211144.db2.gz NNCPJGLPDHUVIL-VIFPVBQESA-N 1 1 247.264 2.974 40 0 BFABMO Cc1ccc([C@@H](CN)[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000219809638 384481661 /nfs/dbraw/zinc/48/16/61/384481661.db2.gz VZNUIVSRDUUPPL-UKRRQHHQSA-N 1 1 232.371 2.727 40 0 BFABMO Cc1ccc([C@@H](C[NH3+])N2CCC[C@@H](C)C2)cc1 ZINC000219809638 384481668 /nfs/dbraw/zinc/48/16/68/384481668.db2.gz VZNUIVSRDUUPPL-UKRRQHHQSA-N 1 1 232.371 2.727 40 0 BFABMO CC1=CO[C@](C)([C@@H]2NC(C)(C)C[C@@H](C)[NH2+]2)CC1 ZINC000019325717 384515748 /nfs/dbraw/zinc/51/57/48/384515748.db2.gz OCRUJCNPOFTYIS-DYEKYZERSA-N 1 1 238.375 2.535 40 0 BFABMO Cc1ccc(C)c(NC(=O)[C@@H]2CCC[N@H+](C)C2)c1 ZINC000082322611 384665678 /nfs/dbraw/zinc/66/56/78/384665678.db2.gz FJINCAGQQRRLMI-CYBMUJFWSA-N 1 1 246.354 2.584 40 0 BFABMO Cc1ccc(C[C@@]2(O)C[C@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000100704121 384650807 /nfs/dbraw/zinc/65/08/07/384650807.db2.gz PPFGJYUAWQBXHF-YCPHGPKFSA-N 1 1 247.382 2.629 40 0 BFABMO CCOc1ccc([C@H]2CCC[N@H+]2CC)cn1 ZINC000072211770 385071280 /nfs/dbraw/zinc/07/12/80/385071280.db2.gz ZJVQSDPCQGCETH-GFCCVEGCSA-N 1 1 220.316 2.637 40 0 BFABMO CCOc1ccc([C@@H]2CCCC[N@H+]2C)cn1 ZINC000072211793 385071424 /nfs/dbraw/zinc/07/14/24/385071424.db2.gz DILRQRDWQOAXJO-LBPRGKRZSA-N 1 1 220.316 2.637 40 0 BFABMO CCN(C)c1ncccc1[C@H]1CCC[N@H+]1CC ZINC000072212767 385079321 /nfs/dbraw/zinc/07/93/21/385079321.db2.gz JLIIXLBLWBXILE-CYBMUJFWSA-N 1 1 233.359 2.695 40 0 BFABMO CC(C)[N@H+]1CCC[C@@H]1c1cccnc1N(C)C ZINC000072212655 385079829 /nfs/dbraw/zinc/07/98/29/385079829.db2.gz FPVHFPRYXJCOLR-CYBMUJFWSA-N 1 1 233.359 2.693 40 0 BFABMO CC(C)C[N@H+]1CCC[C@@H]1c1cccnc1N(C)C ZINC000072212659 385080016 /nfs/dbraw/zinc/08/00/16/385080016.db2.gz NHLDKYKNWHRIKJ-CQSZACIVSA-N 1 1 247.386 2.941 40 0 BFABMO CC[C@H](O)c1c[nH+]c(N2CCCCC2)cc1C ZINC000072223499 385112949 /nfs/dbraw/zinc/11/29/49/385112949.db2.gz AVIQVKDIKHFLHI-ZDUSSCGKSA-N 1 1 234.343 2.824 40 0 BFABMO CCCNc1ccc([C@H](O)CC)c(C)[nH+]1 ZINC000072224252 385116113 /nfs/dbraw/zinc/11/61/13/385116113.db2.gz DEDAPRSRIOATLL-LLVKDONJSA-N 1 1 208.305 2.655 40 0 BFABMO CC[N@H+]1CCCC[C@@H]1c1ccc(OC)nc1C ZINC000072218092 385089465 /nfs/dbraw/zinc/08/94/65/385089465.db2.gz JKVSSEBBQSEGFY-CYBMUJFWSA-N 1 1 234.343 2.946 40 0 BFABMO C[N@H+]1CCC[C@H]1c1cccnc1N1CCCCC1 ZINC000072216088 385094336 /nfs/dbraw/zinc/09/43/36/385094336.db2.gz YNVUNOWMIKXFEY-AWEZNQCLSA-N 1 1 245.370 2.839 40 0 BFABMO CCC[N@H+]1CCC[C@@H]1c1ccc[nH]c1=S ZINC000072217062 385096853 /nfs/dbraw/zinc/09/68/53/385096853.db2.gz RTCQEUYQPZAWCQ-LLVKDONJSA-N 1 1 222.357 2.917 40 0 BFABMO CCC[N@H+]1CCC[C@H]1c1ccc(N)nc1C ZINC000072218562 385099787 /nfs/dbraw/zinc/09/97/87/385099787.db2.gz CWLWQZFHGWPTTP-LBPRGKRZSA-N 1 1 219.332 2.519 40 0 BFABMO CC[N@H+]1CCC[C@@H]1c1c[nH]c(=S)cc1C ZINC000072218311 385101450 /nfs/dbraw/zinc/10/14/50/385101450.db2.gz NRHSZPMBMGYJGW-LLVKDONJSA-N 1 1 222.357 2.836 40 0 BFABMO Cc1cc(=O)[nH]cc1[C@H]1CCC[N@@H+]1CC(C)C ZINC000072218144 385101868 /nfs/dbraw/zinc/10/18/68/385101868.db2.gz QDLUJXRLUFPUAQ-CYBMUJFWSA-N 1 1 234.343 2.889 40 0 BFABMO CNc1cc(C)c([C@H]2CCCCN2C(C)=O)c[nH+]1 ZINC000072219075 385103146 /nfs/dbraw/zinc/10/31/46/385103146.db2.gz CTBBEGHOAOJTEL-CYBMUJFWSA-N 1 1 247.342 2.505 40 0 BFABMO Cc1cc([C@@H]2CCC[N@@H+]2C)cnc1N1CCCC1 ZINC000072218785 385103524 /nfs/dbraw/zinc/10/35/24/385103524.db2.gz KXRRPSPZBMAQFC-AWEZNQCLSA-N 1 1 245.370 2.757 40 0 BFABMO CC[N@H+]1CCC[C@@H]1c1cnc(NC)cc1C ZINC000072219031 385103755 /nfs/dbraw/zinc/10/37/55/385103755.db2.gz LVICLNFOHBLGRX-GFCCVEGCSA-N 1 1 219.332 2.589 40 0 BFABMO CNc1ncc([C@@H]2CCC[N@H+]2C(C)C)cc1C ZINC000072218979 385105622 /nfs/dbraw/zinc/10/56/22/385105622.db2.gz MWBAQYPQKMEVOM-ZDUSSCGKSA-N 1 1 233.359 2.977 40 0 BFABMO NC[C@@H]1CCCC[N@H+]1CCCCc1ccccc1 ZINC000096523581 385269136 /nfs/dbraw/zinc/26/91/36/385269136.db2.gz XJXMXXWJCGYXHD-INIZCTEOSA-N 1 1 246.398 2.823 40 0 BFABMO [NH3+]C[C@@H]1CCCCN1CCCCc1ccccc1 ZINC000096523581 385269137 /nfs/dbraw/zinc/26/91/37/385269137.db2.gz XJXMXXWJCGYXHD-INIZCTEOSA-N 1 1 246.398 2.823 40 0 BFABMO CC[N@@H+](C[C@H](N)CCSC)C1CCCCC1 ZINC000096523868 385271941 /nfs/dbraw/zinc/27/19/41/385271941.db2.gz UEMCHYRWCXPGHN-GFCCVEGCSA-N 1 1 244.448 2.721 40 0 BFABMO c1cc(C[N@@H+]2CCC[C@H]2c2cnccn2)cs1 ZINC000257285688 385761385 /nfs/dbraw/zinc/76/13/85/385761385.db2.gz PIHHLRAOJJIFFU-ZDUSSCGKSA-N 1 1 245.351 2.875 40 0 BFABMO c1cc(C[N@H+]2CCC[C@H]2c2cnccn2)cs1 ZINC000257285688 385761389 /nfs/dbraw/zinc/76/13/89/385761389.db2.gz PIHHLRAOJJIFFU-ZDUSSCGKSA-N 1 1 245.351 2.875 40 0 BFABMO C[NH2+][C@H](c1ccc(Cl)cc1)N1CCCC1 ZINC000261506754 385816167 /nfs/dbraw/zinc/81/61/67/385816167.db2.gz ARKCSVUBXILPLL-LBPRGKRZSA-N 1 1 224.735 2.654 40 0 BFABMO CCCn1c(C)[nH+]c2cc(C)c(N)cc21 ZINC000223769818 386100701 /nfs/dbraw/zinc/10/07/01/386100701.db2.gz YLLAGDFHIUYINM-UHFFFAOYSA-N 1 1 203.289 2.645 40 0 BFABMO NC[C@@H]1CCCC[N@H+]1CCC1CCCCC1 ZINC000087473680 386469008 /nfs/dbraw/zinc/46/90/08/386469008.db2.gz IHKDFWVNUVZLGG-AWEZNQCLSA-N 1 1 224.392 2.770 40 0 BFABMO [NH3+]C[C@@H]1CCCCN1CCC1CCCCC1 ZINC000087473680 386469011 /nfs/dbraw/zinc/46/90/11/386469011.db2.gz IHKDFWVNUVZLGG-AWEZNQCLSA-N 1 1 224.392 2.770 40 0 BFABMO CCCn1cnc(C[NH2+]Cc2ccccc2)c1 ZINC000575415163 387021427 /nfs/dbraw/zinc/02/14/27/387021427.db2.gz VHCRSXUYKDXATA-UHFFFAOYSA-N 1 1 229.327 2.583 40 0 BFABMO Fc1ccccc1-c1nc([C@H]2CCCC[NH2+]2)no1 ZINC000040443429 387782995 /nfs/dbraw/zinc/78/29/95/387782995.db2.gz DRANOHDAYYHWBI-LLVKDONJSA-N 1 1 247.273 2.690 40 0 BFABMO c1coc(C[NH2+]Cc2cnn(C3CCCC3)c2)c1 ZINC000256050253 387858156 /nfs/dbraw/zinc/85/81/56/387858156.db2.gz DIHGLFHVUQOGKU-UHFFFAOYSA-N 1 1 245.326 2.881 40 0 BFABMO CC[C@@H](C)n1nccc1C[NH2+]Cc1ccco1 ZINC000256053325 387861146 /nfs/dbraw/zinc/86/11/46/387861146.db2.gz QZVYIDARPFEOSO-LLVKDONJSA-N 1 1 233.315 2.737 40 0 BFABMO CCCCCC[C@H](C)[N@H+]1CCNC[C@H]1C ZINC000238808730 387936391 /nfs/dbraw/zinc/93/63/91/387936391.db2.gz DWUSIMXKIRNGMX-QWHCGFSZSA-N 1 1 212.381 2.639 40 0 BFABMO CCCCCC[C@H](C)N1CC[NH2+]C[C@H]1C ZINC000238808730 387936394 /nfs/dbraw/zinc/93/63/94/387936394.db2.gz DWUSIMXKIRNGMX-QWHCGFSZSA-N 1 1 212.381 2.639 40 0 BFABMO C/C(=C\c1ccccc1)C[N@H+]1CC[C@@H](O)C1(C)C ZINC000462871955 388273593 /nfs/dbraw/zinc/27/35/93/388273593.db2.gz RSGAYMCHNRSTSG-HFBDAHEESA-N 1 1 245.366 2.935 40 0 BFABMO CC(C)CC[N@H+]1C[C@@H](O)C[C@@H]1CC(C)C ZINC000217886151 388382611 /nfs/dbraw/zinc/38/26/11/388382611.db2.gz ULFUZDXSRZTKJJ-STQMWFEESA-N 1 1 213.365 2.514 40 0 BFABMO CC(C)CC[N@H+]1C[C@H](O)C[C@H]1CC(C)C ZINC000242687516 388400471 /nfs/dbraw/zinc/40/04/71/388400471.db2.gz ULFUZDXSRZTKJJ-CHWSQXEVSA-N 1 1 213.365 2.514 40 0 BFABMO C[C@]12CC[N@H+](Cc3ccccc3Cl)C[C@H]1O2 ZINC000242463919 388744797 /nfs/dbraw/zinc/74/47/97/388744797.db2.gz DQMUCOLXAAYBQX-OLZOCXBDSA-N 1 1 237.730 2.703 40 0 BFABMO C[C@]12CC[N@@H+](Cc3ccccc3Cl)C[C@H]1O2 ZINC000242463919 388744798 /nfs/dbraw/zinc/74/47/98/388744798.db2.gz DQMUCOLXAAYBQX-OLZOCXBDSA-N 1 1 237.730 2.703 40 0 BFABMO Cc1ccc([C@H](CN)[NH+]2CCCCC2)cc1C ZINC000095532270 388776713 /nfs/dbraw/zinc/77/67/13/388776713.db2.gz UQRQNEQUMXFKIZ-HNNXBMFYSA-N 1 1 232.371 2.789 40 0 BFABMO CC(C)O[C@@H]1OC[N@@H+](C(C)(C)C)CC1(C)C ZINC000031749936 167283457 /nfs/dbraw/zinc/28/34/57/167283457.db2.gz VQDNQEWMNSQLIJ-NSHDSACASA-N 1 1 229.364 2.852 40 0 BFABMO CC(C)O[C@@H]1OC[N@H+](C(C)(C)C)CC1(C)C ZINC000031749936 167283459 /nfs/dbraw/zinc/28/34/59/167283459.db2.gz VQDNQEWMNSQLIJ-NSHDSACASA-N 1 1 229.364 2.852 40 0 BFABMO CC1CCC(C[N@H+]2CCCC[C@@H]2CN)CC1 ZINC000084339659 168154132 /nfs/dbraw/zinc/15/41/32/168154132.db2.gz VLWILGZTDXKIJV-JXQTWKCFSA-N 1 1 224.392 2.626 40 0 BFABMO CC1CCC(CN2CCCC[C@@H]2C[NH3+])CC1 ZINC000084339659 168154134 /nfs/dbraw/zinc/15/41/34/168154134.db2.gz VLWILGZTDXKIJV-JXQTWKCFSA-N 1 1 224.392 2.626 40 0 BFABMO CC1CCC(C[N@H+]2CCCC[C@H]2CN)CC1 ZINC000084339660 168154309 /nfs/dbraw/zinc/15/43/09/168154309.db2.gz VLWILGZTDXKIJV-RUXDESIVSA-N 1 1 224.392 2.626 40 0 BFABMO CC1CCC(CN2CCCC[C@H]2C[NH3+])CC1 ZINC000084339660 168154310 /nfs/dbraw/zinc/15/43/10/168154310.db2.gz VLWILGZTDXKIJV-RUXDESIVSA-N 1 1 224.392 2.626 40 0 BFABMO CCOC(=O)[C@H](c1ccccc1)[NH+](CC)CC ZINC000067731999 170279065 /nfs/dbraw/zinc/27/90/65/170279065.db2.gz RLGHMSKPCSEMRE-ZDUSSCGKSA-N 1 1 235.327 2.633 40 0 in-vitro BFABMO C[N@H+]1CC[C@@H](Cc2ccc3ncccc3c2)C1 ZINC000072367716 173116878 /nfs/dbraw/zinc/11/68/78/173116878.db2.gz KUMOLQGBWOTIIC-ZDUSSCGKSA-N 1 1 226.323 2.729 40 0 BFABMO C[N@H+]1CC[C@H](c2nc3cc(Cl)ccc3o2)C1 ZINC000035442906 173158181 /nfs/dbraw/zinc/15/81/81/173158181.db2.gz GIOMYCDRMIWRKH-QMMMGPOBSA-N 1 1 236.702 2.900 40 0 biogenic,in-vitro BFABMO C[N@H+]1CC[C@]2(C)C[C@@H](Cc3ccc(O)cc32)C1 ZINC000001846076 173165172 /nfs/dbraw/zinc/16/51/72/173165172.db2.gz ZOWQTJXNFTWSCS-IAQYHMDHSA-N 1 1 231.339 2.548 40 0 investigational BFABMO C[C@@H]1CCCC[N@H+]1CCOc1ccccc1N ZINC000008703276 176072040 /nfs/dbraw/zinc/07/20/40/176072040.db2.gz NPIXPYYYLUQCJL-GFCCVEGCSA-N 1 1 234.343 2.522 40 0 BFABMO C[C@@H]1CCC[N@@H+](Cc2cccc(O)c2)C1 ZINC000039619531 176102512 /nfs/dbraw/zinc/10/25/12/176102512.db2.gz QVDQDDRCNWEBIU-LLVKDONJSA-N 1 1 205.301 2.624 40 0 BFABMO CC[C@@H](O)c1ccc(NC(C)C)[nH+]c1C ZINC000072224048 262722430 /nfs/dbraw/zinc/72/24/30/262722430.db2.gz GFJJGRLKYXCQHY-LLVKDONJSA-N 1 1 208.305 2.654 40 0 BFABMO C[NH+](C)[C@H](CO)c1cccc(Cl)c1Cl ZINC000070453283 259313753 /nfs/dbraw/zinc/31/37/53/259313753.db2.gz DIUPWZABFHRIBE-SECBINFHSA-N 1 1 234.126 2.588 40 0 BFABMO CCCC[N@H+]1CCC[C@@H]1c1cccnc1N ZINC000072212423 259317673 /nfs/dbraw/zinc/31/76/73/259317673.db2.gz OCWQFDWGLZRYQD-GFCCVEGCSA-N 1 1 219.332 2.601 40 0 BFABMO CNc1ccc([C@@H]2CCC[N@H+]2CC(C)C)cn1 ZINC000072212480 259317395 /nfs/dbraw/zinc/31/73/95/259317395.db2.gz BJCOIXQBWXAJLI-ZDUSSCGKSA-N 1 1 233.359 2.916 40 0 BFABMO Cc1cc(Cl)ncc1[C@H]1CCC[N@@H+]1C ZINC000072217826 259317987 /nfs/dbraw/zinc/31/79/87/259317987.db2.gz XMEROKHPRHKWAH-SNVBAGLBSA-N 1 1 210.708 2.810 40 0 BFABMO Cc1nc(Cl)ccc1[C@@H]1CCC[N@@H+]1C ZINC000072217885 259318134 /nfs/dbraw/zinc/31/81/34/259318134.db2.gz PDSCVGKSNGOIAT-JTQLQIEISA-N 1 1 210.708 2.810 40 0 BFABMO CC[N@H+]1CCCC[C@H]1c1ccnc(C)c1 ZINC000072219474 259318690 /nfs/dbraw/zinc/31/86/90/259318690.db2.gz GJXQJUNIERFIQC-ZDUSSCGKSA-N 1 1 204.317 2.937 40 0 BFABMO Cc1cc([C@@H]2CCCC[N@@H+]2C(C)C)cnc1N ZINC000072218460 259318315 /nfs/dbraw/zinc/31/83/15/259318315.db2.gz HXEGXQNCRROQMK-ZDUSSCGKSA-N 1 1 233.359 2.908 40 0 BFABMO Cc1nc(Cl)ccc1[C@H]1CCC[N@@H+]1C ZINC000072217886 259318364 /nfs/dbraw/zinc/31/83/64/259318364.db2.gz PDSCVGKSNGOIAT-SNVBAGLBSA-N 1 1 210.708 2.810 40 0 BFABMO Nc1cc2[nH+]c3c(cc2cc1C=O)CCCC3 ZINC000003845117 342738140 /nfs/dbraw/zinc/73/81/40/342738140.db2.gz IKQFZGLTDORKKS-UHFFFAOYSA-N 1 1 226.279 2.508 40 0 BFABMO CCCCOc1ccccc1-c1cnc(C[NH3+])o1 ZINC000072220124 259319240 /nfs/dbraw/zinc/31/92/40/259319240.db2.gz NSYVDLWTNAEEDC-UHFFFAOYSA-N 1 1 246.310 2.979 40 0 BFABMO CC[C@@H](O)c1c[nH+]c(NC(C)C)cc1C ZINC000072223006 259320581 /nfs/dbraw/zinc/32/05/81/259320581.db2.gz ZFFUKIDUYNVYKJ-LLVKDONJSA-N 1 1 208.305 2.654 40 0 BFABMO CCCN(CCC)c1[nH+]cc(CCO)cc1C ZINC000072222263 259320586 /nfs/dbraw/zinc/32/05/86/259320586.db2.gz GINLOBLYPIVLRS-UHFFFAOYSA-N 1 1 236.359 2.551 40 0 BFABMO CC[C@@H](O)c1c[nH+]c(N(CC)CC)cc1C ZINC000072223263 259321553 /nfs/dbraw/zinc/32/15/53/259321553.db2.gz FKCTZEVGPNDVAL-GFCCVEGCSA-N 1 1 222.332 2.680 40 0 BFABMO Cc1c[nH+]cc2c(Br)c[nH]c21 ZINC000014986184 342890345 /nfs/dbraw/zinc/89/03/45/342890345.db2.gz WKMJXOXACYHNEA-UHFFFAOYSA-N 1 1 211.062 2.634 40 0 BFABMO C[N@H+]1C[C@H](CO)[C@H](c2ccc(C(C)(C)C)cc2)C1 ZINC000217671947 398322445 /nfs/dbraw/zinc/32/24/45/398322445.db2.gz AATMIODLBAMVPX-HIFRSBDPSA-N 1 1 247.382 2.622 40 0 BFABMO CC[NH+](CC)C[C@@H](C)NCc1ccccc1 ZINC000022073584 343039563 /nfs/dbraw/zinc/03/95/63/343039563.db2.gz DELYVWUJKFYIQX-CYBMUJFWSA-N 1 1 220.360 2.507 40 0 BFABMO CCCCCCNCC[NH2+][C@H](C)CC ZINC000039712259 343392228 /nfs/dbraw/zinc/39/22/28/343392228.db2.gz GHJVTHBAUWPMLU-GFCCVEGCSA-N 1 1 200.370 2.544 40 0 BFABMO CCCCCC[NH2+]CCN[C@H](C)CC ZINC000039712259 343392230 /nfs/dbraw/zinc/39/22/30/343392230.db2.gz GHJVTHBAUWPMLU-GFCCVEGCSA-N 1 1 200.370 2.544 40 0 BFABMO Cn1c2ccc(N)cc2[nH+]c1Cc1ccccc1 ZINC000000804275 345651936 /nfs/dbraw/zinc/65/19/36/345651936.db2.gz WWUCNEAKEYSVBH-UHFFFAOYSA-N 1 1 237.306 2.746 40 0 BFABMO Cc1cccc(C)c1NC(=O)[C@@H]1CCC[N@H+](C)C1 ZINC000082322992 179041892 /nfs/dbraw/zinc/04/18/92/179041892.db2.gz VVOFTRMPKOOCAH-CYBMUJFWSA-N 1 1 246.354 2.584 40 0 BFABMO C[NH+](C)Cc1nc(-c2ccccc2)cs1 ZINC000001671694 346463661 /nfs/dbraw/zinc/46/36/61/346463661.db2.gz MZAWHJLRGNYCLL-UHFFFAOYSA-N 1 1 218.325 2.872 40 0 BFABMO Cc1cccc([C@H](C[NH3+])N2CCC(C)CC2)c1 ZINC000038827629 179198402 /nfs/dbraw/zinc/19/84/02/179198402.db2.gz WGZCZGXGPLENLO-HNNXBMFYSA-N 1 1 232.371 2.727 40 0 BFABMO C[N@@H+](Cn1nnc2ccccc21)C1CCCCC1 ZINC000003159441 347536996 /nfs/dbraw/zinc/53/69/96/347536996.db2.gz DYYDYJVYNMNHKD-UHFFFAOYSA-N 1 1 244.342 2.653 40 0 BFABMO C([C@@H]1CCCC[NH2+]1)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC000036810187 347776162 /nfs/dbraw/zinc/77/61/62/347776162.db2.gz SMFJJXNFNWYQPN-ZNMIVQPWSA-N 1 1 236.403 2.641 40 0 BFABMO Cc1[nH]c(=O)ccc1[C@@H]1CCC[N@@H+]1C(C)C ZINC000072218199 259528585 /nfs/dbraw/zinc/52/85/85/259528585.db2.gz JKYNREGOICAYJQ-LBPRGKRZSA-N 1 1 220.316 2.641 40 0 BFABMO CCC[N@H+]1CCC[C@H]1c1c[nH]c(=O)cc1C ZINC000072218142 259529042 /nfs/dbraw/zinc/52/90/42/259529042.db2.gz ZFEMYJOQQHGSKV-LBPRGKRZSA-N 1 1 220.316 2.643 40 0 BFABMO CCC[N@H+]1CCC[C@@H]1c1ccc(N)nc1C ZINC000072218561 259529862 /nfs/dbraw/zinc/52/98/62/259529862.db2.gz CWLWQZFHGWPTTP-GFCCVEGCSA-N 1 1 219.332 2.519 40 0 BFABMO OC[C@H]1CCC[N@@H+](CC/C=C/c2ccccc2)C1 ZINC000079438597 183148590 /nfs/dbraw/zinc/14/85/90/183148590.db2.gz BMNZYNIRVJKFRN-UFNQUYMESA-N 1 1 245.366 2.794 40 0 BFABMO CCC[N@H+]1CCc2[nH]ccc2[C@@H]1C(C)C ZINC000223710690 169208569 /nfs/dbraw/zinc/20/85/69/169208569.db2.gz JSHQBIDFDDFINF-ZDUSSCGKSA-N 1 1 206.333 2.980 40 0 BFABMO c1cc([C@@H]2CCC[N@H+](C3CCCC3)C2)ncn1 ZINC000072348413 183360399 /nfs/dbraw/zinc/36/03/99/183360399.db2.gz JDMGWFPRCYJUBI-GFCCVEGCSA-N 1 1 231.343 2.599 40 0 BFABMO c1ccc(CN(C[C@@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC000079438013 183397314 /nfs/dbraw/zinc/39/73/14/183397314.db2.gz HMRSLQPQXNFITK-OAHLLOKOSA-N 1 1 244.382 2.651 40 0 BFABMO CC[N@@H+](CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000049754185 383825043 /nfs/dbraw/zinc/82/50/43/383825043.db2.gz PPPGFMBEWNWVSI-UHFFFAOYSA-N 1 1 248.153 2.808 40 0 BFABMO CCN(C(=N)C[NH+](CC)CC)c1ccccc1 ZINC000001625184 383915573 /nfs/dbraw/zinc/91/55/73/383915573.db2.gz LJFGHUIRQVPCAJ-UHFFFAOYSA-N 1 1 233.359 2.832 40 0 BFABMO CCc1ccc2nc(SCC[NH+](C)C)[nH]c2c1 ZINC000005985263 384139762 /nfs/dbraw/zinc/13/97/62/384139762.db2.gz QFFYPGLNDWBJJY-UHFFFAOYSA-N 1 1 249.383 2.779 40 0 BFABMO Cc1noc([C@H]2CC[N@@H+](CC3CCCCC3)C2)n1 ZINC000072357186 384211345 /nfs/dbraw/zinc/21/13/45/384211345.db2.gz OCLQPTSYJOHDSO-ZDUSSCGKSA-N 1 1 249.358 2.748 40 0 BFABMO c1ccc([C@@H]2CCC[N@@H+]2Cc2cccnc2)nc1 ZINC000072381590 384217041 /nfs/dbraw/zinc/21/70/41/384217041.db2.gz ZAWZYVFGUHBMQN-HNNXBMFYSA-N 1 1 239.322 2.814 40 0 BFABMO C(C[NH2+]C1CCCCC1)NC1CCCCC1 ZINC000019367005 384519799 /nfs/dbraw/zinc/51/97/99/384519799.db2.gz JMRWVHXGVONXEZ-UHFFFAOYSA-N 1 1 224.392 2.831 40 0 BFABMO CC(C)C[N@H+]1CCC[C@H]1c1ccccn1 ZINC000072210979 385067778 /nfs/dbraw/zinc/06/77/78/385067778.db2.gz ZKUIEQVTHXGDEL-ZDUSSCGKSA-N 1 1 204.317 2.875 40 0 BFABMO CC(C)C[N@H+]1CCC[C@@H]1c1ccccn1 ZINC000072210978 385068063 /nfs/dbraw/zinc/06/80/63/385068063.db2.gz ZKUIEQVTHXGDEL-CYBMUJFWSA-N 1 1 204.317 2.875 40 0 BFABMO CCC[N@H+]1CCC[C@@H]1c1cccnc1C ZINC000072211292 385071273 /nfs/dbraw/zinc/07/12/73/385071273.db2.gz CYSRRVDEYHKIEM-CYBMUJFWSA-N 1 1 204.317 2.937 40 0 BFABMO COc1ncccc1[C@H]1CCC[N@H+]1C(C)C ZINC000072211720 385071837 /nfs/dbraw/zinc/07/18/37/385071837.db2.gz ALQWFKHEULFBFN-GFCCVEGCSA-N 1 1 220.316 2.636 40 0 BFABMO CCOc1ncccc1[C@@H]1CCCC[N@H+]1C ZINC000072211853 385074382 /nfs/dbraw/zinc/07/43/82/385074382.db2.gz VHUAAWYMKMQILA-LBPRGKRZSA-N 1 1 220.316 2.637 40 0 BFABMO CC(C)Oc1ccc([C@@H]2CCC[N@H+]2C)cn1 ZINC000072211884 385074454 /nfs/dbraw/zinc/07/44/54/385074454.db2.gz PCUFORPUSGQGKU-LBPRGKRZSA-N 1 1 220.316 2.636 40 0 BFABMO CCC[N@H+]1CCC[C@@H]1c1ccc(N(C)C)nc1 ZINC000072212597 385079185 /nfs/dbraw/zinc/07/91/85/385079185.db2.gz JUYKMNDWCVRLCM-CYBMUJFWSA-N 1 1 233.359 2.695 40 0 BFABMO CC(C)[N@H+]1CCC[C@H]1c1ccc(N(C)C)nc1 ZINC000072212596 385079638 /nfs/dbraw/zinc/07/96/38/385079638.db2.gz KMYVJJVCVBFYBP-ZDUSSCGKSA-N 1 1 233.359 2.693 40 0 BFABMO CC[N@H+]1CCCC[C@@H]1c1cccnc1N(C)C ZINC000072212672 385079729 /nfs/dbraw/zinc/07/97/29/385079729.db2.gz QDXDJBTXLRJNTF-CYBMUJFWSA-N 1 1 233.359 2.695 40 0 BFABMO CC(C)[N@H+]1CCC[C@H]1c1cccnc1N(C)C ZINC000072212656 385079961 /nfs/dbraw/zinc/07/99/61/385079961.db2.gz FPVHFPRYXJCOLR-ZDUSSCGKSA-N 1 1 233.359 2.693 40 0 BFABMO Cc1[nH+]c(N2CCCCCC2)ccc1[C@H](C)O ZINC000072224572 385119027 /nfs/dbraw/zinc/11/90/27/385119027.db2.gz WQHMJWWHMPXONV-LBPRGKRZSA-N 1 1 234.343 2.824 40 0 BFABMO CCC[N@H+]1CCC[C@@H]1c1cnc(OC)c(C)c1 ZINC000072217722 385090487 /nfs/dbraw/zinc/09/04/87/385090487.db2.gz DUHWBEWYIXQRNT-CYBMUJFWSA-N 1 1 234.343 2.946 40 0 BFABMO C[N@H+]1CCCC[C@H]1c1ccc(=S)[nH]c1 ZINC000072217016 385096562 /nfs/dbraw/zinc/09/65/62/385096562.db2.gz ZXENXLROHJDFGG-JTQLQIEISA-N 1 1 208.330 2.527 40 0 BFABMO CC[N@H+]1CCC[C@H]1c1ccc[nH]c1=S ZINC000072217053 385097150 /nfs/dbraw/zinc/09/71/50/385097150.db2.gz PNCPRQRCDNAIQX-JTQLQIEISA-N 1 1 208.330 2.527 40 0 BFABMO CC[N@H+]1CCC[C@@H]1c1ccc[nH]c1=S ZINC000072217052 385097598 /nfs/dbraw/zinc/09/75/98/385097598.db2.gz PNCPRQRCDNAIQX-SNVBAGLBSA-N 1 1 208.330 2.527 40 0 BFABMO CC[N@H+]1CCC[C@H]1c1cccnc1SC ZINC000072216933 385097992 /nfs/dbraw/zinc/09/79/92/385097992.db2.gz BVNQPNPGSFHYFG-NSHDSACASA-N 1 1 222.357 2.960 40 0 BFABMO CCCC[N@H+]1CCC[C@H]1c1cnc(N)c(C)c1 ZINC000072218446 385099805 /nfs/dbraw/zinc/09/98/05/385099805.db2.gz ORENZSQRQBVTFZ-ZDUSSCGKSA-N 1 1 233.359 2.909 40 0 BFABMO CCCC[N@H+]1CCC[C@@H]1c1cnc(N)c(C)c1 ZINC000072218445 385101811 /nfs/dbraw/zinc/10/18/11/385101811.db2.gz ORENZSQRQBVTFZ-CYBMUJFWSA-N 1 1 233.359 2.909 40 0 BFABMO Cc1[nH]c(=O)ccc1[C@H]1CCC[N@@H+]1C(C)C ZINC000072218200 385102123 /nfs/dbraw/zinc/10/21/23/385102123.db2.gz JKYNREGOICAYJQ-GFCCVEGCSA-N 1 1 220.316 2.641 40 0 BFABMO Cc1cc([C@H]2CCC[N@@H+]2C)cnc1N1CCCC1 ZINC000072218786 385103263 /nfs/dbraw/zinc/10/32/63/385103263.db2.gz KXRRPSPZBMAQFC-CQSZACIVSA-N 1 1 245.370 2.757 40 0 BFABMO CNc1ccc([C@@H]2CCCCN2C(C)=O)c(C)[nH+]1 ZINC000072219134 385104119 /nfs/dbraw/zinc/10/41/19/385104119.db2.gz DBVOPBKXBZTBHA-ZDUSSCGKSA-N 1 1 247.342 2.505 40 0 BFABMO CC[N@H+]1CCC[C@@H]1c1cnc(N(C)C)cc1C ZINC000072218671 385104169 /nfs/dbraw/zinc/10/41/69/385104169.db2.gz WQXKKEQCJANMHW-CYBMUJFWSA-N 1 1 233.359 2.613 40 0 BFABMO CC[N@H+]1CCC[C@@H]1c1c(OC)cccc1OC ZINC000072221411 385107133 /nfs/dbraw/zinc/10/71/33/385107133.db2.gz UARXGYOEDCVSRL-LLVKDONJSA-N 1 1 235.327 2.861 40 0 BFABMO COC(=O)[C@@](C)(c1ccccc1)[NH+]1CCCCC1 ZINC000085393488 385159005 /nfs/dbraw/zinc/15/90/05/385159005.db2.gz WJNPCNCJZVORFM-OAHLLOKOSA-N 1 1 247.338 2.561 40 0 BFABMO Cc1ccc(Cl)c2c(NCC[NH3+])ccnc12 ZINC000222680007 386059821 /nfs/dbraw/zinc/05/98/21/386059821.db2.gz UDPLWMREJWLJFF-UHFFFAOYSA-N 1 1 235.718 2.567 40 0 BFABMO CC[N@H+]1CCCCC[C@@H]1[C@@H]1CCCC1=O ZINC000217464212 388373912 /nfs/dbraw/zinc/37/39/12/388373912.db2.gz XXBZXXWRTLZNRL-NWDGAFQWSA-N 1 1 209.333 2.620 40 0 BFABMO [NH3+][C@H]1CCCC[C@H]1[NH2+]Cc1cccc(Cl)c1 ZINC000072411146 388639875 /nfs/dbraw/zinc/63/98/75/388639875.db2.gz JHYUHPXZSRIESE-QWHCGFSZSA-N 1 1 238.762 2.700 40 0 BFABMO [NH3+][C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(Cl)cc1 ZINC000072411164 388639881 /nfs/dbraw/zinc/63/98/81/388639881.db2.gz FBVLDSYXYDSPMZ-STQMWFEESA-N 1 1 238.762 2.700 40 0 BFABMO [NH3+][C@H](Cc1ccccc1)CN1CCCCCCC1 ZINC000020266238 388761333 /nfs/dbraw/zinc/76/13/33/388761333.db2.gz PXQHXBIFPYQUGB-MRXNPFEDSA-N 1 1 246.398 2.823 40 0 BFABMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C[C@@H]1CC=CCC1 ZINC000227420541 134381086 /nfs/dbraw/zinc/38/10/86/134381086.db2.gz PPTRKUGASCANCS-RBSFLKMASA-N 1 1 234.387 2.511 40 0 BFABMO CCN(CC)[C@H](C[NH3+])c1ccc(C)c(C)c1 ZINC000037179876 397971446 /nfs/dbraw/zinc/97/14/46/397971446.db2.gz BYVOKHPWVFBFJD-CQSZACIVSA-N 1 1 220.360 2.645 40 0 BFABMO C[C@H](N[C@@H]1CCCC[C@@H]1[NH3+])c1ccccc1 ZINC000147095213 398096870 /nfs/dbraw/zinc/09/68/70/398096870.db2.gz QQTZYYSHFALROI-FPMFFAJLSA-N 1 1 218.344 2.607 40 0 BFABMO CC(C)[NH2+]C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000053012110 167113903 /nfs/dbraw/zinc/11/39/03/167113903.db2.gz ATVZOUGWKFEKFL-HNNXBMFYSA-N 1 1 232.371 2.507 40 0 BFABMO CC(C)n1ccc(C[NH2+]Cc2cccs2)n1 ZINC000082784184 167762863 /nfs/dbraw/zinc/76/28/63/167762863.db2.gz JJIXMOUYEMDLPQ-UHFFFAOYSA-N 1 1 235.356 2.815 40 0 BFABMO CCOC(=O)[C@@H](c1ccccc1)[NH+](CC)CC ZINC000067732002 170256128 /nfs/dbraw/zinc/25/61/28/170256128.db2.gz RLGHMSKPCSEMRE-CYBMUJFWSA-N 1 1 235.327 2.633 40 0 in-vitro BFABMO C[N@H+]1CCC[C@@]2(CCCc3ccccc32)C1 ZINC000003593769 173039158 /nfs/dbraw/zinc/03/91/58/173039158.db2.gz PBSQCGBLDFOFBG-HNNXBMFYSA-N 1 1 215.340 2.986 40 0 BFABMO C[N@@H+]1[C@@H]2CC[C@H]1Cc1[nH]c3ccccc3c12 ZINC000001612418 173206823 /nfs/dbraw/zinc/20/68/23/173206823.db2.gz WYQXXIUOFPTASR-TVQRCGJNSA-N 1 1 212.296 2.859 40 0 BFABMO C[C@@H](NC1CC[NH2+]CC1)c1cccc(Cl)c1 ZINC000038040655 175861503 /nfs/dbraw/zinc/86/15/03/175861503.db2.gz CDFNMSRVVWCLBS-SNVBAGLBSA-N 1 1 238.762 2.743 40 0 BFABMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C[C@H]1CC=CCC1 ZINC000019575044 176323227 /nfs/dbraw/zinc/32/32/27/176323227.db2.gz PPTRKUGASCANCS-QLFBSQMISA-N 1 1 234.387 2.511 40 0 BFABMO C[C@@H]1CC(=O)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC000034725299 177061834 /nfs/dbraw/zinc/06/18/34/177061834.db2.gz RZABKAGQMPNUFJ-TXEJJXNPSA-N 1 1 217.312 2.629 40 0 BFABMO C[C@@H]1CC(=O)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC000034725299 177061835 /nfs/dbraw/zinc/06/18/35/177061835.db2.gz RZABKAGQMPNUFJ-TXEJJXNPSA-N 1 1 217.312 2.629 40 0 BFABMO C[C@H]1CCCC[N@H+]1CCOc1cccc(C=O)c1 ZINC000009261371 177075270 /nfs/dbraw/zinc/07/52/70/177075270.db2.gz RBAGCJNEWBKCOX-ZDUSSCGKSA-N 1 1 247.338 2.752 40 0 BFABMO C[C@H]1CCCC[N@H+]1Cc1cccc(O)c1 ZINC000062183929 177076901 /nfs/dbraw/zinc/07/69/01/177076901.db2.gz KHMPYRXDRBTNHP-NSHDSACASA-N 1 1 205.301 2.767 40 0 BFABMO C[C@H]1CCC[N@@H+](CCC(=O)c2ccccc2)C1 ZINC000002044645 177097405 /nfs/dbraw/zinc/09/74/05/177097405.db2.gz PWJRCBZVIFAULR-ZDUSSCGKSA-N 1 1 231.339 2.991 40 0 BFABMO C[C@H]1CCC[N@@H+](CCOc2cccc(C=O)c2)C1 ZINC000009261375 177099743 /nfs/dbraw/zinc/09/97/43/177099743.db2.gz PXOZTEYWXOHVGT-ZDUSSCGKSA-N 1 1 247.338 2.610 40 0 BFABMO CCc1ccc(C[N@H+]2CC[C@@H]3O[C@@H](C)C[C@H]3C2)o1 ZINC000096070509 490360630 /nfs/dbraw/zinc/36/06/30/490360630.db2.gz XYAYDGUGLRBZAW-HUBLWGQQSA-N 1 1 249.354 2.841 40 0 BFABMO C[N@H+]1CCCC[C@H]1c1cccnc1NC1CC1 ZINC000072213733 259317845 /nfs/dbraw/zinc/31/78/45/259317845.db2.gz UOPVGRBJTSCRPY-ZDUSSCGKSA-N 1 1 231.343 2.813 40 0 BFABMO C[NH+](C)Cc1nc2cccc3cccc([nH]1)c32 ZINC000001607936 342705672 /nfs/dbraw/zinc/70/56/72/342705672.db2.gz ZZVTWGULKUBWQL-UHFFFAOYSA-N 1 1 225.295 2.778 40 0 BFABMO CC[N@H+]1CCCC[C@H]1c1cnc(N)cc1C ZINC000072218517 259318485 /nfs/dbraw/zinc/31/84/85/259318485.db2.gz VGDPRRRFEUOXRE-LBPRGKRZSA-N 1 1 219.332 2.519 40 0 BFABMO CC[N@H+]1CCCC[C@@H]1c1ccc(=O)[nH]c1C ZINC000072218216 259318512 /nfs/dbraw/zinc/31/85/12/259318512.db2.gz BBDDJGVVYGISLQ-GFCCVEGCSA-N 1 1 220.316 2.643 40 0 BFABMO c1ccc(C[N@H+]2CCC3=C(CCCO3)C2)cc1 ZINC000034581876 342726152 /nfs/dbraw/zinc/72/61/52/342726152.db2.gz XWHFCXSCCBJTAS-UHFFFAOYSA-N 1 1 229.323 2.957 40 0 BFABMO CCC[N@H+]1CCCC[C@H]1c1cnc(N)cc1C ZINC000072218519 259318306 /nfs/dbraw/zinc/31/83/06/259318306.db2.gz UFYAJXSBHKJIKJ-ZDUSSCGKSA-N 1 1 233.359 2.909 40 0 BFABMO C[N@H+]1CCCC[C@@H]1c1cccnc1NC1CC1 ZINC000072213732 259318454 /nfs/dbraw/zinc/31/84/54/259318454.db2.gz UOPVGRBJTSCRPY-CYBMUJFWSA-N 1 1 231.343 2.813 40 0 BFABMO CC[C@H](O)c1c[nH+]c(NC(C)C)cc1C ZINC000072223005 259320959 /nfs/dbraw/zinc/32/09/59/259320959.db2.gz ZFFUKIDUYNVYKJ-NSHDSACASA-N 1 1 208.305 2.654 40 0 BFABMO C[C@H](c1ccccc1)[N@@H+]1CCN[C@H]2CCC[C@@H]21 ZINC000242495619 398317739 /nfs/dbraw/zinc/31/77/39/398317739.db2.gz GLGPYQCXXCTFDK-SNPRPXQTSA-N 1 1 230.355 2.574 40 0 BFABMO C[C@H](c1ccccc1)[N@H+]1CCN[C@H]2CCC[C@@H]21 ZINC000242495619 398317741 /nfs/dbraw/zinc/31/77/41/398317741.db2.gz GLGPYQCXXCTFDK-SNPRPXQTSA-N 1 1 230.355 2.574 40 0 BFABMO CC1(C)CO[C@H](c2ccccc2Cl)[NH2+]1 ZINC000031638388 343222170 /nfs/dbraw/zinc/22/21/70/343222170.db2.gz RICFQRVXDUZKTL-SNVBAGLBSA-N 1 1 211.692 2.737 40 0 BFABMO Cc1c[nH]nc1[C@H]1CCCC[N@H+]1CC1CC1 ZINC000205688096 348575196 /nfs/dbraw/zinc/57/51/96/348575196.db2.gz XUFXUPIHKOPARP-GFCCVEGCSA-N 1 1 219.332 2.655 40 0 BFABMO Cc1cn[nH]c1[C@H]1CCCC[N@@H+]1CC1CC1 ZINC000205688096 348575198 /nfs/dbraw/zinc/57/51/98/348575198.db2.gz XUFXUPIHKOPARP-GFCCVEGCSA-N 1 1 219.332 2.655 40 0 BFABMO Cc1cn[nH]c1[C@H]1CCCC[N@H+]1CC1CC1 ZINC000205688096 348575200 /nfs/dbraw/zinc/57/52/00/348575200.db2.gz XUFXUPIHKOPARP-GFCCVEGCSA-N 1 1 219.332 2.655 40 0 BFABMO c1ccc(C[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)cc1 ZINC000153166830 362982099 /nfs/dbraw/zinc/98/20/99/362982099.db2.gz KBNSNNVRGZSELJ-CABCVRRESA-N 1 1 231.339 2.688 40 0 BFABMO CC[NH+](CC)CCNCc1cccc(Cl)c1 ZINC000019919610 350852703 /nfs/dbraw/zinc/85/27/03/350852703.db2.gz YLQTXZJFTVPZOB-UHFFFAOYSA-N 1 1 240.778 2.771 40 0 BFABMO CCOc1ccc2[nH+]c(N)cc(C)c2c1 ZINC000039099093 363150035 /nfs/dbraw/zinc/15/00/35/363150035.db2.gz FHWSLRFQXFUKDR-UHFFFAOYSA-N 1 1 202.257 2.524 40 0 BFABMO CC(C)[N@@H+](CCO)Cc1ccc(Cl)cc1 ZINC000049802012 188125288 /nfs/dbraw/zinc/12/52/88/188125288.db2.gz MEUYTDVVEFAKJX-UHFFFAOYSA-N 1 1 227.735 2.543 40 0 BFABMO CC(C)[N@H+]1CCCC[C@H]1c1ccc(=O)[nH]c1 ZINC000072212269 259525061 /nfs/dbraw/zinc/52/50/61/259525061.db2.gz JVPVYEDCUBYHRU-LBPRGKRZSA-N 1 1 220.316 2.723 40 0 BFABMO CC(C)C[N@H+]1CCCC[C@H]1c1cccnc1N ZINC000072212439 259525148 /nfs/dbraw/zinc/52/51/48/259525148.db2.gz CNIKTXWPCQHJFY-ZDUSSCGKSA-N 1 1 233.359 2.847 40 0 BFABMO Cc1c[nH]nc1[C@@H]1CCCC[N@H+]1CC1CC1 ZINC000205688080 368357818 /nfs/dbraw/zinc/35/78/18/368357818.db2.gz XUFXUPIHKOPARP-LBPRGKRZSA-N 1 1 219.332 2.655 40 0 BFABMO Cc1cn[nH]c1[C@@H]1CCCC[N@@H+]1CC1CC1 ZINC000205688080 368357822 /nfs/dbraw/zinc/35/78/22/368357822.db2.gz XUFXUPIHKOPARP-LBPRGKRZSA-N 1 1 219.332 2.655 40 0 BFABMO Cc1cn[nH]c1[C@@H]1CCCC[N@H+]1CC1CC1 ZINC000205688080 368357829 /nfs/dbraw/zinc/35/78/29/368357829.db2.gz XUFXUPIHKOPARP-LBPRGKRZSA-N 1 1 219.332 2.655 40 0 BFABMO O[C@H]1CCCC[C@H]1[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000004030713 183233010 /nfs/dbraw/zinc/23/30/10/183233010.db2.gz LRWOETBLULBTDE-OAGGEKHMSA-N 1 1 245.366 2.779 40 0 BFABMO CC[N@@H+](CCO)Cc1ccc(Cl)cc1Cl ZINC000049754183 383824720 /nfs/dbraw/zinc/82/47/20/383824720.db2.gz PZUFDKUNDXBXTP-UHFFFAOYSA-N 1 1 248.153 2.808 40 0 BFABMO Cc1c[nH+]c(Nc2cccc(F)c2)c(N)c1 ZINC000036242844 383889634 /nfs/dbraw/zinc/88/96/34/383889634.db2.gz DZFXNUOOYUQTJE-UHFFFAOYSA-N 1 1 217.247 2.855 40 0 BFABMO CCC[N@@H+](C[C@@H](N)Cc1ccccc1)CC1CC1 ZINC000042491170 384151549 /nfs/dbraw/zinc/15/15/49/384151549.db2.gz OIRDKWGVMWLVSP-INIZCTEOSA-N 1 1 246.398 2.678 40 0 BFABMO CC[N@H+](CCO)Cc1cccc(Cl)c1Cl ZINC000079420682 384142161 /nfs/dbraw/zinc/14/21/61/384142161.db2.gz DQGWGFYVQZVTSP-UHFFFAOYSA-N 1 1 248.153 2.808 40 0 BFABMO CC[N@@H+](CCO)Cc1cccc(Cl)c1Cl ZINC000079420682 384142167 /nfs/dbraw/zinc/14/21/67/384142167.db2.gz DQGWGFYVQZVTSP-UHFFFAOYSA-N 1 1 248.153 2.808 40 0 BFABMO Cc1c[nH]nc1[C@H]1CCC[N@H+]1C1CCCC1 ZINC000072356825 384210456 /nfs/dbraw/zinc/21/04/56/384210456.db2.gz NLDXHQFPZZRTNN-GFCCVEGCSA-N 1 1 219.332 2.798 40 0 BFABMO Cc1cn[nH]c1[C@H]1CCC[N@H+]1C1CCCC1 ZINC000072356825 384210463 /nfs/dbraw/zinc/21/04/63/384210463.db2.gz NLDXHQFPZZRTNN-GFCCVEGCSA-N 1 1 219.332 2.798 40 0 BFABMO CC(C)[N@H+]1CC[C@@H](Cc2cnc3[nH]ccc3c2)C1 ZINC000072367730 384215048 /nfs/dbraw/zinc/21/50/48/384215048.db2.gz QZYUWMCAIAMUFE-LBPRGKRZSA-N 1 1 243.354 2.836 40 0 BFABMO CO[C@@H]1CC[N@@H+](CC2CC2)[C@H]1Cc1ccccc1 ZINC000096061580 384432229 /nfs/dbraw/zinc/43/22/29/384432229.db2.gz QRGKSKCYEGIMAT-JKSUJKDBSA-N 1 1 245.366 2.728 40 0 BFABMO COC[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccco1)C2 ZINC000096109133 384433431 /nfs/dbraw/zinc/43/34/31/384433431.db2.gz SNBQHOKSAUFCJU-OCCSQVGLSA-N 1 1 235.327 2.528 40 0 BFABMO Cc1cccc([C@@H](CN)[N@H+]2CCC[C@@H](C)C2)c1 ZINC000219809722 384481812 /nfs/dbraw/zinc/48/18/12/384481812.db2.gz DZJHDJOAIHYPNT-UKRRQHHQSA-N 1 1 232.371 2.727 40 0 BFABMO Cc1cccc([C@@H](C[NH3+])N2CCC[C@@H](C)C2)c1 ZINC000219809722 384481819 /nfs/dbraw/zinc/48/18/19/384481819.db2.gz DZJHDJOAIHYPNT-UKRRQHHQSA-N 1 1 232.371 2.727 40 0 BFABMO Nc1c(-c2ccccc2F)[nH+]cn1C1CC1 ZINC000100761222 384653337 /nfs/dbraw/zinc/65/33/37/384653337.db2.gz OBWQHDFMOORWFF-UHFFFAOYSA-N 1 1 217.247 2.606 40 0 BFABMO CC[N@H+]1CCCC[C@H]1c1ncccc1C ZINC000072211148 385066857 /nfs/dbraw/zinc/06/68/57/385066857.db2.gz ULOVRFROGOBDNM-LBPRGKRZSA-N 1 1 204.317 2.937 40 0 BFABMO CC[N@H+]1CCCC[C@H]1c1cc(C)ccn1 ZINC000072211202 385068396 /nfs/dbraw/zinc/06/83/96/385068396.db2.gz WWLASKOHCPXRIO-ZDUSSCGKSA-N 1 1 204.317 2.937 40 0 BFABMO CCOc1ccc([C@H]2CCCC[N@H+]2C)cn1 ZINC000072211794 385071197 /nfs/dbraw/zinc/07/11/97/385071197.db2.gz DILRQRDWQOAXJO-GFCCVEGCSA-N 1 1 220.316 2.637 40 0 BFABMO CC[N@H+]1CCC[C@H]1c1cccnc1Cl ZINC000072211491 385072467 /nfs/dbraw/zinc/07/24/67/385072467.db2.gz OCBINOITUZXCET-JTQLQIEISA-N 1 1 210.708 2.892 40 0 BFABMO CC(C)C[N@H+]1CCCC[C@H]1c1ccc(N)nc1 ZINC000072212383 385075128 /nfs/dbraw/zinc/07/51/28/385075128.db2.gz BHTZXZABXIYFRS-ZDUSSCGKSA-N 1 1 233.359 2.847 40 0 BFABMO CC(C)[N@H+]1CCCC[C@@H]1c1ccc[nH]c1=O ZINC000072212326 385075336 /nfs/dbraw/zinc/07/53/36/385075336.db2.gz SVAMJETUUGGTPV-GFCCVEGCSA-N 1 1 220.316 2.723 40 0 BFABMO CCC[N@H+]1CCCC[C@H]1c1ccc[nH]c1=O ZINC000072212325 385076557 /nfs/dbraw/zinc/07/65/57/385076557.db2.gz VMBGCYSVPLZYPF-LBPRGKRZSA-N 1 1 220.316 2.724 40 0 BFABMO CCN(C)c1ccc([C@@H]2CCC[N@H+]2CC)cn1 ZINC000072212708 385079770 /nfs/dbraw/zinc/07/97/70/385079770.db2.gz GVBQEUDIBWOXLC-ZDUSSCGKSA-N 1 1 233.359 2.695 40 0 BFABMO CCC[N@H+]1CCC[C@@H]1c1cccnc1N(C)C ZINC000072212657 385079942 /nfs/dbraw/zinc/07/99/42/385079942.db2.gz PZTCHVPFPJTCLP-CYBMUJFWSA-N 1 1 233.359 2.695 40 0 BFABMO CCC[N@H+]1CCC[C@H]1c1cccnc1N(C)C ZINC000072212658 385080517 /nfs/dbraw/zinc/08/05/17/385080517.db2.gz PZTCHVPFPJTCLP-ZDUSSCGKSA-N 1 1 233.359 2.695 40 0 BFABMO CC[N@H+]1CCCC[C@H]1c1cccnc1N(C)C ZINC000072212673 385080642 /nfs/dbraw/zinc/08/06/42/385080642.db2.gz QDXDJBTXLRJNTF-ZDUSSCGKSA-N 1 1 233.359 2.695 40 0 BFABMO COc1ccc(OC)c([C@H]2CCCC[N@H+]2C)c1 ZINC000072221879 385109339 /nfs/dbraw/zinc/10/93/39/385109339.db2.gz JRQCNXGGQADSMO-CYBMUJFWSA-N 1 1 235.327 2.861 40 0 BFABMO CCC[N@H+]1CCC[C@H]1c1ccc(OC)nc1C ZINC000072218078 385090193 /nfs/dbraw/zinc/09/01/93/385090193.db2.gz CRTAHBKGJFGZME-ZDUSSCGKSA-N 1 1 234.343 2.946 40 0 BFABMO C[N@H+]1CCCC[C@@H]1c1ccc(N2CCCC2)nc1 ZINC000072215936 385093528 /nfs/dbraw/zinc/09/35/28/385093528.db2.gz QVODXARGPBHTOF-CQSZACIVSA-N 1 1 245.370 2.839 40 0 BFABMO CC[N@H+]1CCC[C@@H]1c1cccnc1SC ZINC000072216932 385097828 /nfs/dbraw/zinc/09/78/28/385097828.db2.gz BVNQPNPGSFHYFG-LLVKDONJSA-N 1 1 222.357 2.960 40 0 BFABMO CCCC[N@H+]1CCC[C@H]1c1cnc(N)cc1C ZINC000072218506 385100087 /nfs/dbraw/zinc/10/00/87/385100087.db2.gz ITDSJYNKBODQRO-ZDUSSCGKSA-N 1 1 233.359 2.909 40 0 BFABMO Cc1cc([C@@H]2CCCC[N@H+]2C)cnc1N(C)C ZINC000072218634 385100445 /nfs/dbraw/zinc/10/04/45/385100445.db2.gz XVTWSVYZDWZCQR-ZDUSSCGKSA-N 1 1 233.359 2.613 40 0 BFABMO Cc1cc([C@H]2CCC[N@@H+]2CC(C)C)cnc1N ZINC000072218444 385100582 /nfs/dbraw/zinc/10/05/82/385100582.db2.gz RKBMEDMCIUGQFQ-CYBMUJFWSA-N 1 1 233.359 2.765 40 0 BFABMO CCC[N@H+]1CCC[C@@H]1c1cnc(N)c(C)c1 ZINC000072218441 385101463 /nfs/dbraw/zinc/10/14/63/385101463.db2.gz QZLAOQRWEPTUKH-GFCCVEGCSA-N 1 1 219.332 2.519 40 0 BFABMO CCC[N@H+]1CCC[C@@H]1c1c[nH]c(=O)cc1C ZINC000072218141 385102109 /nfs/dbraw/zinc/10/21/09/385102109.db2.gz ZFEMYJOQQHGSKV-GFCCVEGCSA-N 1 1 220.316 2.643 40 0 BFABMO Cc1cc([C@H]2CCCC[N@H+]2C)cnc1N(C)C ZINC000072218635 385102195 /nfs/dbraw/zinc/10/21/95/385102195.db2.gz XVTWSVYZDWZCQR-CYBMUJFWSA-N 1 1 233.359 2.613 40 0 BFABMO CC[N@H+]1CCC[C@@H]1c1ccc(NC)nc1C ZINC000072219091 385102990 /nfs/dbraw/zinc/10/29/90/385102990.db2.gz BUDQDZGCLPKJLJ-GFCCVEGCSA-N 1 1 219.332 2.589 40 0 BFABMO COc1ccccc1[C@H]1CCCC[N@H+]1C ZINC000072221473 385106797 /nfs/dbraw/zinc/10/67/97/385106797.db2.gz HTFMLIHDBUGANR-GFCCVEGCSA-N 1 1 205.301 2.852 40 0 BFABMO COc1ccc([C@@H]2CCCC[N@H+]2C)cc1 ZINC000072221510 385107499 /nfs/dbraw/zinc/10/74/99/385107499.db2.gz KSVIBVRZHTZGFY-ZDUSSCGKSA-N 1 1 205.301 2.852 40 0 BFABMO NC[C@H]1CCCC[N@H+]1CCC1CCCCC1 ZINC000087473679 386469017 /nfs/dbraw/zinc/46/90/17/386469017.db2.gz IHKDFWVNUVZLGG-CQSZACIVSA-N 1 1 224.392 2.770 40 0 BFABMO [NH3+]C[C@H]1CCCCN1CCC1CCCCC1 ZINC000087473679 386469021 /nfs/dbraw/zinc/46/90/21/386469021.db2.gz IHKDFWVNUVZLGG-CQSZACIVSA-N 1 1 224.392 2.770 40 0 BFABMO [NH3+][C@H]1CCCC[C@H]1[NH2+]Cc1ccc(Cl)cc1 ZINC000072411161 388639861 /nfs/dbraw/zinc/63/98/61/388639861.db2.gz FBVLDSYXYDSPMZ-QWHCGFSZSA-N 1 1 238.762 2.700 40 0 BFABMO C1CCC([N@H+]2CCN[C@@H]3CCCC[C@@H]32)CC1 ZINC000225711419 388840800 /nfs/dbraw/zinc/84/08/00/388840800.db2.gz KLNNTSMKRXXOKT-KGLIPLIRSA-N 1 1 222.376 2.536 40 0 BFABMO C[NH+](C)[C@@H](CO)c1ccc(Cl)cc1Cl ZINC000070452965 322904798 /nfs/dbraw/zinc/90/47/98/322904798.db2.gz TUXXNGRIPJYLPR-JTQLQIEISA-N 1 1 234.126 2.588 40 0 BFABMO CC(C)[NH2+]C[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000053655395 167112118 /nfs/dbraw/zinc/11/21/18/167112118.db2.gz HIBAQIRRTMTEJV-INIZCTEOSA-N 1 1 246.398 2.897 40 0 BFABMO CC[C@@]1(OC)CC[N@@H+](Cc2ccccc2)C1 ZINC000096511317 171214335 /nfs/dbraw/zinc/21/43/35/171214335.db2.gz DMBPFRSWONQBQP-CQSZACIVSA-N 1 1 219.328 2.688 40 0 BFABMO C[C@@H](c1cccc(Cl)c1)[N@@H+](CCO)C1CC1 ZINC000079421118 176018104 /nfs/dbraw/zinc/01/81/04/176018104.db2.gz ZXPFSCLOIHDLLL-JTQLQIEISA-N 1 1 239.746 2.858 40 0 BFABMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C[C@H]1CC=CCC1 ZINC000019575046 176324062 /nfs/dbraw/zinc/32/40/62/176324062.db2.gz PPTRKUGASCANCS-ILXRZTDVSA-N 1 1 234.387 2.511 40 0 BFABMO C[C@H]1CC(=O)C[C@H](C)[NH+]1Cc1ccccc1 ZINC000034725302 177061781 /nfs/dbraw/zinc/06/17/81/177061781.db2.gz RZABKAGQMPNUFJ-RYUDHWBXSA-N 1 1 217.312 2.629 40 0 BFABMO C[C@H]1CCCC[N@H+]1Cc1cccc(C=O)c1 ZINC000095738621 177077458 /nfs/dbraw/zinc/07/74/58/177077458.db2.gz LFKSENBXQNHAGH-LBPRGKRZSA-N 1 1 217.312 2.874 40 0 BFABMO C[C@H]1C[N@@H+](C)C(C)(C)C[C@@]1(O)c1ccccc1 ZINC000013111059 177233399 /nfs/dbraw/zinc/23/33/99/177233399.db2.gz SSRPOTWODWIGHO-WFASDCNBSA-N 1 1 233.355 2.624 40 0 BFABMO Cc1cc[nH+]c(Nc2ccc3c(c2)OCCO3)c1 ZINC000228950895 525703137 /nfs/dbraw/zinc/70/31/37/525703137.db2.gz SFPDEHJYXPUGBP-UHFFFAOYSA-N 1 1 242.278 2.905 40 0 BFABMO C[NH+]1CCN(c2ccc(Cl)cc2Cl)CC1 ZINC000045885956 536421387 /nfs/dbraw/zinc/42/13/87/536421387.db2.gz ZIUYCCYKVUGEIO-UHFFFAOYSA-N 1 1 245.153 2.745 40 0 BFABMO [NH3+]C1CCC(NC2=C(c3ccccc3)C2)CC1 ZINC001560406096 991468236 /nfs/dbraw/zinc/46/82/36/991468236.db2.gz QUFQLASSTTUIGS-UHFFFAOYSA-N 1 1 228.339 2.661 40 0 BFABMO Cc1cc(C)nc([C@@H]2CCC[N@@H+](CC3CC3)C2)n1 ZINC000072361367 177948935 /nfs/dbraw/zinc/94/89/35/177948935.db2.gz JFJHLZUCMIEQFS-CQSZACIVSA-N 1 1 245.370 2.683 40 0 BFABMO Cc1cc(Nc2cc(F)ccc2C)nc(N)[nH+]1 ZINC000107279696 178191638 /nfs/dbraw/zinc/19/16/38/178191638.db2.gz WZDBRNRUPBXYOD-UHFFFAOYSA-N 1 1 232.262 2.558 40 0 BFABMO CCCC[N@H+]1CCC[C@@H]1c1ccc(N)nc1 ZINC000072212367 259317208 /nfs/dbraw/zinc/31/72/08/259317208.db2.gz XKIBTYGERLIZDW-GFCCVEGCSA-N 1 1 219.332 2.601 40 0 BFABMO CCOc1cccc(Nc2cc(C)[nH+]c(N)n2)c1 ZINC000001675988 342708390 /nfs/dbraw/zinc/70/83/90/342708390.db2.gz RCZHONKGSATPLQ-UHFFFAOYSA-N 1 1 244.298 2.510 40 0 BFABMO CC(C)C[N@H+]1CCCC[C@H]1c1ccc[nH]c1=O ZINC000072212329 259317453 /nfs/dbraw/zinc/31/74/53/259317453.db2.gz XWZOIRUPSXZCJF-ZDUSSCGKSA-N 1 1 234.343 2.970 40 0 BFABMO COc1ncccc1[C@@H]1CCC[N@H+]1CC(C)C ZINC000072211725 259317533 /nfs/dbraw/zinc/31/75/33/259317533.db2.gz XYNCKLPODRTNMQ-ZDUSSCGKSA-N 1 1 234.343 2.883 40 0 BFABMO CCCC[N@H+]1CCC[C@@H]1c1ccc(=O)[nH]c1 ZINC000072212261 259317539 /nfs/dbraw/zinc/31/75/39/259317539.db2.gz MMRSFRCCQFXXCB-GFCCVEGCSA-N 1 1 220.316 2.724 40 0 BFABMO Nc1ccc2[nH]c(C=Cc3ccco3)[nH+]c2c1 ZINC000004538012 342748766 /nfs/dbraw/zinc/74/87/66/342748766.db2.gz VBTVSQJXJARTTR-GQCTYLIASA-N 1 1 225.251 2.909 40 0 BFABMO Cc1cc(N)ncc1[C@H]1CCCC[N@@H+]1C(C)C ZINC000072218521 259318206 /nfs/dbraw/zinc/31/82/06/259318206.db2.gz LTWMTCDRWKGYOI-CYBMUJFWSA-N 1 1 233.359 2.908 40 0 BFABMO CC(C)COc1cccc(-c2cnc(C[NH3+])o2)c1 ZINC000072220118 259319063 /nfs/dbraw/zinc/31/90/63/259319063.db2.gz QUPMMRSYDQAFRY-UHFFFAOYSA-N 1 1 246.310 2.835 40 0 BFABMO CNc1cc(C)c([C@H](O)c2ccccc2)c[nH+]1 ZINC000072223060 259320802 /nfs/dbraw/zinc/32/08/02/259320802.db2.gz SIABBDRKCLDSGS-CQSZACIVSA-N 1 1 228.295 2.513 40 0 BFABMO CC[C@H](O)c1ccc(N(CC)CC)[nH+]c1C ZINC000072224304 259321764 /nfs/dbraw/zinc/32/17/64/259321764.db2.gz JMZMWQPPXKKMKR-LBPRGKRZSA-N 1 1 222.332 2.680 40 0 BFABMO c1ccc2c(c1)OC=C(C[NH+]1CCCCC1)O2 ZINC000031924119 343226431 /nfs/dbraw/zinc/22/64/31/343226431.db2.gz AVJDYJIBFLCXGC-UHFFFAOYSA-N 1 1 231.295 2.785 40 0 BFABMO COC(=O)C[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000042684502 343447554 /nfs/dbraw/zinc/44/75/54/343447554.db2.gz GMACJDSFVJXSTG-AWEZNQCLSA-N 1 1 247.338 2.604 40 0 BFABMO CCC[C@H](C(=O)c1ccccc1)[NH+](C)C ZINC000167259089 346223650 /nfs/dbraw/zinc/22/36/50/346223650.db2.gz WFXNELBKSSVCEJ-GFCCVEGCSA-N 1 1 205.301 2.600 40 0 in-vitro BFABMO Clc1ccc2nc(CC3CC[NH2+]CC3)[nH]c2c1 ZINC000015423959 347112802 /nfs/dbraw/zinc/11/28/02/347112802.db2.gz HSOZVULSCLJYEQ-UHFFFAOYSA-N 1 1 249.745 2.758 40 0 BFABMO Cc1ccccc1CN1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000019237153 179276802 /nfs/dbraw/zinc/27/68/02/179276802.db2.gz SQOWSENQVLOOAZ-ZBFHGGJFSA-N 1 1 244.382 2.664 40 0 BFABMO Cc1cc(C[N@H+]2CCC[C@@H](O)C2)ccc1Cl ZINC000038539660 348703135 /nfs/dbraw/zinc/70/31/35/348703135.db2.gz KPCGNKICSKGVNO-GFCCVEGCSA-N 1 1 239.746 2.605 40 0 BFABMO Cc1ccc(C[N@@H+]2CCCC[C@@H]2CN)c(C)c1 ZINC000044539860 352354511 /nfs/dbraw/zinc/35/45/11/352354511.db2.gz URFWSELDVWMLBS-OAHLLOKOSA-N 1 1 232.371 2.617 40 0 BFABMO Cc1ccc(C[N@H+]2CCCC[C@@H]2CN)c(C)c1 ZINC000044539860 352354513 /nfs/dbraw/zinc/35/45/13/352354513.db2.gz URFWSELDVWMLBS-OAHLLOKOSA-N 1 1 232.371 2.617 40 0 BFABMO C[N@H+]1CCCC[C@H]1c1cccnc1N1CCCC1 ZINC000072215997 259528140 /nfs/dbraw/zinc/52/81/40/259528140.db2.gz XLMQBMGCEIANSQ-AWEZNQCLSA-N 1 1 245.370 2.839 40 0 BFABMO CSc1ccc([C@H]2CCCC[N@H+]2C)cn1 ZINC000072216895 259528245 /nfs/dbraw/zinc/52/82/45/259528245.db2.gz IVPWLIHNMAMDGA-LLVKDONJSA-N 1 1 222.357 2.960 40 0 BFABMO Cc1cc(N)ccc1[N@H+]1[C@H](C)CC[C@@H]1C ZINC000017957886 368318856 /nfs/dbraw/zinc/31/88/56/368318856.db2.gz DYDIERCDZVCGKM-PHIMTYICSA-N 1 1 204.317 2.954 40 0 BFABMO Cc1cc(N)ccc1[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000017957886 368318866 /nfs/dbraw/zinc/31/88/66/368318866.db2.gz DYDIERCDZVCGKM-PHIMTYICSA-N 1 1 204.317 2.954 40 0 BFABMO CC[N@H+]1CCC[C@@H]1c1cc(OC)ccc1OC ZINC000057621050 369401658 /nfs/dbraw/zinc/40/16/58/369401658.db2.gz RJDHXOWPLVSCDD-CYBMUJFWSA-N 1 1 235.327 2.861 40 0 BFABMO Cc1ccc([C@H]([NH3+])CN2CCCCCC2)cc1 ZINC000019821212 371192500 /nfs/dbraw/zinc/19/25/00/371192500.db2.gz JYNHGBAAFUVMLW-OAHLLOKOSA-N 1 1 232.371 2.871 40 0 BFABMO Cc1cccc(C(=O)[C@H](C)[NH+]2CCCC2)c1 ZINC000095705033 371333622 /nfs/dbraw/zinc/33/36/22/371333622.db2.gz BYYSWQHJMWVSGB-LBPRGKRZSA-N 1 1 217.312 2.662 40 0 in-vitro BFABMO C[C@@H]1C[C@@H](CO)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC000252504393 259548206 /nfs/dbraw/zinc/54/82/06/259548206.db2.gz APHDBYYXZFJYMF-AGGWBTHJSA-N 1 1 233.355 2.668 40 0 BFABMO CCCCn1c(C)[nH+]c2ccc(N)cc21 ZINC000114882754 169033570 /nfs/dbraw/zinc/03/35/70/169033570.db2.gz YGCVGEQDCCVCFX-UHFFFAOYSA-N 1 1 203.289 2.727 40 0 BFABMO CCC[N@@H+](C)C(C)(C)C(=O)c1ccccc1 ZINC000001622228 169064523 /nfs/dbraw/zinc/06/45/23/169064523.db2.gz DBVRMXYKPXPKCW-UHFFFAOYSA-N 1 1 219.328 2.990 40 0 BFABMO O[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000103233187 183247994 /nfs/dbraw/zinc/24/79/94/183247994.db2.gz DNAGSRDCXSVFLX-QDMKHBRRSA-N 1 1 231.339 2.564 40 0 BFABMO S=C1[C@H]2CCC[C@@H]2[NH+]=C2c3ccccc3CN21 ZINC000016756646 183313662 /nfs/dbraw/zinc/31/36/62/183313662.db2.gz NDRSTSINJROXCG-RYUDHWBXSA-N 1 1 242.347 2.759 40 0 BFABMO S=C1[C@@H]2CCC[C@@H]2[NH+]=C2c3ccccc3CN21 ZINC000016756643 183313937 /nfs/dbraw/zinc/31/39/37/183313937.db2.gz NDRSTSINJROXCG-NEPJUHHUSA-N 1 1 242.347 2.759 40 0 BFABMO c1c[nH+]c(C23CC4CC(CC(C4)C2)C3)[nH]1 ZINC000005464315 183322606 /nfs/dbraw/zinc/32/26/06/183322606.db2.gz BAMREGSUDFYWTC-UHFFFAOYSA-N 1 1 202.301 2.878 40 0 BFABMO c1ccc(CN2CCC[C@@H](C[NH2+]C3CC3)C2)cc1 ZINC000053656318 183398354 /nfs/dbraw/zinc/39/83/54/183398354.db2.gz OONHGXTVFVGLND-HNNXBMFYSA-N 1 1 244.382 2.651 40 0 BFABMO Cc1c[nH+]c(Nc2ccc(F)cc2)c(N)c1 ZINC000036242837 383890794 /nfs/dbraw/zinc/89/07/94/383890794.db2.gz QKRAROHIWKGAHH-UHFFFAOYSA-N 1 1 217.247 2.855 40 0 BFABMO C[N@@H+](CCc1ccccc1)Cc1ccccc1N ZINC000035064068 384015249 /nfs/dbraw/zinc/01/52/49/384015249.db2.gz XLNQDRJSCRKYKB-UHFFFAOYSA-N 1 1 240.350 2.943 40 0 BFABMO Cc1cncnc1[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC000072356813 384210476 /nfs/dbraw/zinc/21/04/76/384210476.db2.gz NPNLWQMPTRRSEP-ZDUSSCGKSA-N 1 1 245.370 2.907 40 0 BFABMO Cc1c[nH]nc1[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000072356824 384211582 /nfs/dbraw/zinc/21/15/82/384211582.db2.gz NLDXHQFPZZRTNN-LBPRGKRZSA-N 1 1 219.332 2.798 40 0 BFABMO Cc1cn[nH]c1[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000072356824 384211598 /nfs/dbraw/zinc/21/15/98/384211598.db2.gz NLDXHQFPZZRTNN-LBPRGKRZSA-N 1 1 219.332 2.798 40 0 BFABMO C[C@@H](NC(C)(C)C)[C@@H](C)[NH2+]C(C)(C)C ZINC000095093144 384363896 /nfs/dbraw/zinc/36/38/96/384363896.db2.gz KEPBYALUNVNGRN-NXEZZACHSA-N 1 1 200.370 2.540 40 0 BFABMO Nc1c(-c2cccc(F)c2)[nH+]cn1C1CC1 ZINC000100761233 384654372 /nfs/dbraw/zinc/65/43/72/384654372.db2.gz RGTYZSHWDWMVJY-UHFFFAOYSA-N 1 1 217.247 2.606 40 0 BFABMO C(C[N@@H+]1C[C@@H]2CCCC[C@@H]2C1)N1CCCCC1 ZINC000023480219 384800957 /nfs/dbraw/zinc/80/09/57/384800957.db2.gz ZKWFBCHWGRBOMO-GASCZTMLSA-N 1 1 236.403 2.594 40 0 BFABMO CN(C)CCC[NH2+]Cc1cccc2ccccc21 ZINC000057360164 384943809 /nfs/dbraw/zinc/94/38/09/384943809.db2.gz SZBHSLSSGIAQIQ-UHFFFAOYSA-N 1 1 242.366 2.881 40 0 BFABMO Cc1ncccc1[C@@H]1CCC[N@@H+]1C(C)C ZINC000072211290 385072016 /nfs/dbraw/zinc/07/20/16/385072016.db2.gz JTXVJKKTPDGJIW-ZDUSSCGKSA-N 1 1 204.317 2.935 40 0 BFABMO COc1ncccc1[C@@H]1CCC[N@H+]1C(C)C ZINC000072211721 385072951 /nfs/dbraw/zinc/07/29/51/385072951.db2.gz ALQWFKHEULFBFN-LBPRGKRZSA-N 1 1 220.316 2.636 40 0 BFABMO CNc1ccc([C@H]2CCC[N@H+]2C(C)C)cn1 ZINC000072212475 385075395 /nfs/dbraw/zinc/07/53/95/385075395.db2.gz FSNBEBIPIJIWLY-GFCCVEGCSA-N 1 1 219.332 2.669 40 0 BFABMO CCNc1ccc([C@@H]2CCC[N@H+]2CC)cn1 ZINC000072213065 385078239 /nfs/dbraw/zinc/07/82/39/385078239.db2.gz RRRMCYJDEXKMIX-LBPRGKRZSA-N 1 1 219.332 2.670 40 0 BFABMO CCN(C)c1ccc([C@H]2CCC[N@H+]2CC)cn1 ZINC000072212707 385078405 /nfs/dbraw/zinc/07/84/05/385078405.db2.gz GVBQEUDIBWOXLC-CYBMUJFWSA-N 1 1 233.359 2.695 40 0 BFABMO CCN(CC)c1ccc([C@@H]2CCC[N@H+]2C)cn1 ZINC000072212821 385080222 /nfs/dbraw/zinc/08/02/22/385080222.db2.gz FOQKKGFZDRJLOB-ZDUSSCGKSA-N 1 1 233.359 2.695 40 0 BFABMO CC[N@H+]1CCC[C@H]1c1cccnc1NC1CC1 ZINC000072213710 385082888 /nfs/dbraw/zinc/08/28/88/385082888.db2.gz DYSWJCJBFNZTGU-ZDUSSCGKSA-N 1 1 231.343 2.813 40 0 BFABMO CC[C@@H](O)c1ccc(N2CCCCC2)[nH+]c1C ZINC000072224547 385118933 /nfs/dbraw/zinc/11/89/33/385118933.db2.gz JMFZEMNZCMDISL-CYBMUJFWSA-N 1 1 234.343 2.824 40 0 BFABMO COc1ncc([C@H]2CCCC[N@H+]2C)cc1C ZINC000072217736 385090627 /nfs/dbraw/zinc/09/06/27/385090627.db2.gz RBWDZKNOHAAYOK-GFCCVEGCSA-N 1 1 220.316 2.555 40 0 BFABMO C[N@H+]1CCCC[C@@H]1c1cccnc1N1CCCC1 ZINC000072215996 385093149 /nfs/dbraw/zinc/09/31/49/385093149.db2.gz XLMQBMGCEIANSQ-CQSZACIVSA-N 1 1 245.370 2.839 40 0 BFABMO C[N@H+]1CCCC[C@H]1c1ccc[nH]c1=S ZINC000072217076 385096977 /nfs/dbraw/zinc/09/69/77/385096977.db2.gz RJEMTVBFPQLYSL-JTQLQIEISA-N 1 1 208.330 2.527 40 0 BFABMO CC(C)[N@H+]1CCC[C@H]1c1ccc[nH]c1=S ZINC000072217061 385098254 /nfs/dbraw/zinc/09/82/54/385098254.db2.gz PISWEHSIECXZPC-NSHDSACASA-N 1 1 222.357 2.916 40 0 BFABMO CC[N@H+]1CCC[C@H]1c1ccc(=S)[nH]c1C ZINC000072218372 385099610 /nfs/dbraw/zinc/09/96/10/385099610.db2.gz XFJHHXIKMDUBLC-NSHDSACASA-N 1 1 222.357 2.836 40 0 BFABMO CNc1ccc([C@H]2CCCCN2C(C)=O)c(C)[nH+]1 ZINC000072219135 385103354 /nfs/dbraw/zinc/10/33/54/385103354.db2.gz DBVOPBKXBZTBHA-CYBMUJFWSA-N 1 1 247.342 2.505 40 0 BFABMO CC[N@H+]1CCC[C@H]1c1c(OC)cccc1OC ZINC000072221412 385107229 /nfs/dbraw/zinc/10/72/29/385107229.db2.gz UARXGYOEDCVSRL-NSHDSACASA-N 1 1 235.327 2.861 40 0 BFABMO Cc1ccc(C[N@H+]2CC[C@H](c3cc[nH]n3)C2)s1 ZINC000257322496 385765353 /nfs/dbraw/zinc/76/53/53/385765353.db2.gz WGEZRWQBRIUZRP-NSHDSACASA-N 1 1 247.367 2.769 40 0 BFABMO Cc1ccc(C[N@@H+]2CC[C@H](c3ccn[nH]3)C2)s1 ZINC000257322496 385765357 /nfs/dbraw/zinc/76/53/57/385765357.db2.gz WGEZRWQBRIUZRP-NSHDSACASA-N 1 1 247.367 2.769 40 0 BFABMO Cc1ccc(C[N@H+]2CC[C@H](c3ccn[nH]3)C2)s1 ZINC000257322496 385765363 /nfs/dbraw/zinc/76/53/63/385765363.db2.gz WGEZRWQBRIUZRP-NSHDSACASA-N 1 1 247.367 2.769 40 0 BFABMO CC[C@@H](C)n1c(C)[nH+]c2ccc(N)cc21 ZINC000223767666 386099653 /nfs/dbraw/zinc/09/96/53/386099653.db2.gz VUFGIRQNYSQGME-MRVPVSSYSA-N 1 1 203.289 2.898 40 0 BFABMO O=Cc1ccc(F)cc1C[NH+]1CCCCC1 ZINC000095738678 387003357 /nfs/dbraw/zinc/00/33/57/387003357.db2.gz BICAXLCWOZISGE-UHFFFAOYSA-N 1 1 221.275 2.624 40 0 BFABMO CCCC[N@@H+](C)Cc1ccccc1C=O ZINC000095739697 387004662 /nfs/dbraw/zinc/00/46/62/387004662.db2.gz FHUJYBMSQATNAW-UHFFFAOYSA-N 1 1 205.301 2.731 40 0 BFABMO c1ccc2c(c1)[nH]c1c2CC[N@@H+]2CCC[C@@H]12 ZINC000001630521 387458037 /nfs/dbraw/zinc/45/80/37/387458037.db2.gz LXJWBHIVLXMHDZ-ZDUSSCGKSA-N 1 1 212.296 2.861 40 0 in-vitro BFABMO CC(C)n1ccc(C[NH2+]Cc2cccc(F)c2)n1 ZINC000084225411 387855509 /nfs/dbraw/zinc/85/55/09/387855509.db2.gz JWBYIHAXIJEBJB-UHFFFAOYSA-N 1 1 247.317 2.893 40 0 BFABMO FC(F)n1ccc(C[NH2+]Cc2ccccc2)n1 ZINC000256053054 387860050 /nfs/dbraw/zinc/86/00/50/387860050.db2.gz PULCIYSKBOXXAJ-UHFFFAOYSA-N 1 1 237.253 2.568 40 0 BFABMO CC(C)CC[N@H+]1C[C@@H](O)C[C@H]1CC(C)C ZINC000242687517 388400600 /nfs/dbraw/zinc/40/06/00/388400600.db2.gz ULFUZDXSRZTKJJ-OLZOCXBDSA-N 1 1 213.365 2.514 40 0 BFABMO CC[C@@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CC[N@H+]2C ZINC000003650581 171162226 /nfs/dbraw/zinc/16/22/26/171162226.db2.gz JQQICFVIEZVXBF-FVQBIDKESA-N 1 1 245.366 2.936 40 0 BFABMO CCC(=O)C[C@H]1CCC[C@@H](CC(=O)CC)[N@H+]1C ZINC000001716558 168210649 /nfs/dbraw/zinc/21/06/49/168210649.db2.gz UKHHFOBGFNUOCK-TXEJJXNPSA-N 1 1 239.359 2.578 40 0 BFABMO C[N@@H+]1CCC[C@@H]1c1cccnc1Br ZINC000072211596 173037370 /nfs/dbraw/zinc/03/73/70/173037370.db2.gz HEHGGBCISFGVSD-SECBINFHSA-N 1 1 241.132 2.611 40 0 BFABMO C[N@H+]1CCC[C@@H]1c1cccnc1Br ZINC000072211596 173037372 /nfs/dbraw/zinc/03/73/72/173037372.db2.gz HEHGGBCISFGVSD-SECBINFHSA-N 1 1 241.132 2.611 40 0 BFABMO COC(=O)[C@](C)(c1ccccc1)[NH+]1CCCCC1 ZINC000085393492 173833779 /nfs/dbraw/zinc/83/37/79/173833779.db2.gz WJNPCNCJZVORFM-HNNXBMFYSA-N 1 1 247.338 2.561 40 0 BFABMO COCC[N@H+]1CCc2sccc2[C@H]1C1CC1 ZINC000072350994 174316173 /nfs/dbraw/zinc/31/61/73/174316173.db2.gz JDWAELZTSBCRGH-CYBMUJFWSA-N 1 1 237.368 2.704 40 0 BFABMO CCN(CC)CC[NH2+]Cc1ccccc1Cl ZINC000019919117 520686355 /nfs/dbraw/zinc/68/63/55/520686355.db2.gz UMRRAWDIVCXZAB-UHFFFAOYSA-N 1 1 240.778 2.771 40 0 BFABMO CN(N)c1cc(C(F)(F)F)c2ccccc2[nH+]1 ZINC000199543817 523620418 /nfs/dbraw/zinc/62/04/18/523620418.db2.gz MFIZFNUXGCOLQG-UHFFFAOYSA-N 1 1 241.216 2.564 40 0 BFABMO Cc1cc(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)oc1C ZINC000072324596 178006572 /nfs/dbraw/zinc/00/65/72/178006572.db2.gz FLHGHJKACAGEMC-JSGCOSHPSA-N 1 1 248.370 2.565 40 0 BFABMO Cc1cc([C@H]2CCC[N@H+](C(C)C)C2)ccn1 ZINC000072356965 178267250 /nfs/dbraw/zinc/26/72/50/178267250.db2.gz NYKUVWBCTZCOQA-AWEZNQCLSA-N 1 1 218.344 2.978 40 0 BFABMO Cc1ccccc1[C@@](C)(C[NH3+])N1CCCCC1 ZINC000070453398 259313905 /nfs/dbraw/zinc/31/39/05/259313905.db2.gz ISUVNSUWUKPIGJ-OAHLLOKOSA-N 1 1 232.371 2.655 40 0 BFABMO CCCC[N@H+]1CCCC[C@H]1c1ccc(N)nc1 ZINC000072212385 259317489 /nfs/dbraw/zinc/31/74/89/259317489.db2.gz HQAVLPJFOFZYNG-ZDUSSCGKSA-N 1 1 233.359 2.991 40 0 BFABMO Cc1[nH]c(=S)ccc1[C@H]1CCCC[N@@H+]1C ZINC000072218395 259318055 /nfs/dbraw/zinc/31/80/55/259318055.db2.gz KFTFDPYVFMDQKE-LLVKDONJSA-N 1 1 222.357 2.836 40 0 BFABMO Cc1cc(=S)[nH]cc1[C@H]1CCCC[N@@H+]1C ZINC000072218335 259318082 /nfs/dbraw/zinc/31/80/82/259318082.db2.gz HTOWNSYZQDREPI-LLVKDONJSA-N 1 1 222.357 2.836 40 0 BFABMO Cc1cc([C@@H]2CCCC[N@@H+]2C)c[nH]c1=S ZINC000072218274 259318373 /nfs/dbraw/zinc/31/83/73/259318373.db2.gz APSMQBIOZXCFOG-NSHDSACASA-N 1 1 222.357 2.836 40 0 BFABMO Cc1cc(N(C)Cc2ccccc2)[nH+]cc1CO ZINC000072223388 259320671 /nfs/dbraw/zinc/32/06/71/259320671.db2.gz AOLLONUHVWADDN-UHFFFAOYSA-N 1 1 242.322 2.519 40 0 BFABMO CNc1cc(C)c([C@@H](O)c2ccccc2)c[nH+]1 ZINC000072223061 259320895 /nfs/dbraw/zinc/32/08/95/259320895.db2.gz SIABBDRKCLDSGS-AWEZNQCLSA-N 1 1 228.295 2.513 40 0 BFABMO CCCN(CCC)c1ccc(CO)c(C)[nH+]1 ZINC000072224322 259321840 /nfs/dbraw/zinc/32/18/40/259321840.db2.gz ZSPNDZZACAFCIY-UHFFFAOYSA-N 1 1 222.332 2.509 40 0 BFABMO C[N@@H+]1C[C@@H](c2ccc(C(C)(C)C)cc2)[C@H](CO)C1 ZINC000217671863 398322469 /nfs/dbraw/zinc/32/24/69/398322469.db2.gz AATMIODLBAMVPX-ZFWWWQNUSA-N 1 1 247.382 2.622 40 0 BFABMO CC[NH+](CC)C[C@H](C)NCc1ccccc1 ZINC000022073586 343039503 /nfs/dbraw/zinc/03/95/03/343039503.db2.gz DELYVWUJKFYIQX-ZDUSSCGKSA-N 1 1 220.360 2.507 40 0 BFABMO CC(C)[N@@H+](C)CCc1c[nH]c2cccc(O)c12 ZINC000028003897 343126393 /nfs/dbraw/zinc/12/63/93/343126393.db2.gz RXKGHZCQFXXWFQ-UHFFFAOYSA-N 1 1 232.327 2.756 40 0 in-vitro BFABMO O=C1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000039120335 343385654 /nfs/dbraw/zinc/38/56/54/343385654.db2.gz BYRHPLCFXPSWTK-UHFFFAOYSA-N 1 1 229.323 2.556 40 0 BFABMO Cc1nc(Nc2cccc(Cl)c2)cc(N)[nH+]1 ZINC000049467269 343599180 /nfs/dbraw/zinc/59/91/80/343599180.db2.gz BCJDRBRZWUTMCR-UHFFFAOYSA-N 1 1 234.690 2.764 40 0 BFABMO Cc1ccc(Nc2cc(N)[nH+]c(C)n2)cc1C ZINC000049467254 343599200 /nfs/dbraw/zinc/59/92/00/343599200.db2.gz OKLJEKNBNPLVFD-UHFFFAOYSA-N 1 1 228.299 2.728 40 0 BFABMO CC(C)C[N@H+]1CC[C@@H]2[C@@H]1CCN2Cc1ccoc1 ZINC000096055771 344366084 /nfs/dbraw/zinc/36/60/84/344366084.db2.gz QQASJEQFGIOZFE-LSDHHAIUSA-N 1 1 248.370 2.584 40 0 BFABMO Nc1[nH]c2cc(Cl)cc(Br)c2[nH+]1 ZINC000238605004 345090026 /nfs/dbraw/zinc/09/00/26/345090026.db2.gz GVOJGYGGWAPZRD-UHFFFAOYSA-N 1 1 246.495 2.561 40 0 BFABMO Cc1cccc(C)c1NC(=O)[C@H]1CCC[N@H+](C)C1 ZINC000082322993 179042443 /nfs/dbraw/zinc/04/24/43/179042443.db2.gz VVOFTRMPKOOCAH-ZDUSSCGKSA-N 1 1 246.354 2.584 40 0 BFABMO CC[N@H+]1CCCC[C@H]1c1cc(C)n2ccnc2n1 ZINC000257297272 351044417 /nfs/dbraw/zinc/04/44/17/351044417.db2.gz RGOGZNUROFGEEV-ZDUSSCGKSA-N 1 1 244.342 2.585 40 0 BFABMO CC[N@H+]1CCCC[C@@H]1c1cc(C)n2ccnc2n1 ZINC000257297271 351044773 /nfs/dbraw/zinc/04/47/73/351044773.db2.gz RGOGZNUROFGEEV-CYBMUJFWSA-N 1 1 244.342 2.585 40 0 BFABMO c1cc(C[N@H+]2CC[C@@H]2C2CC2)nc2c1CCC2 ZINC000334646401 354436229 /nfs/dbraw/zinc/43/62/29/354436229.db2.gz XDFOEXQZTYSFCU-OAHLLOKOSA-N 1 1 228.339 2.555 40 0 BFABMO CCCNc1ncccc1[C@H]1CCC[N@H+]1C ZINC000072213120 259526267 /nfs/dbraw/zinc/52/62/67/259526267.db2.gz VTZQYRLHYFUEKC-GFCCVEGCSA-N 1 1 219.332 2.670 40 0 BFABMO CNc1ncccc1[C@@H]1CCC[N@H+]1CC(C)C ZINC000072212540 259526390 /nfs/dbraw/zinc/52/63/90/259526390.db2.gz KPBBHRXXNPUMMF-ZDUSSCGKSA-N 1 1 233.359 2.916 40 0 BFABMO CC(C)CNc1ncccc1[C@H]1CCC[N@H+]1C ZINC000072213240 259527273 /nfs/dbraw/zinc/52/72/73/259527273.db2.gz NNHAVFOERAWROM-CYBMUJFWSA-N 1 1 233.359 2.916 40 0 BFABMO CC[N@H+]1CCCC[C@@H]1c1cnc(NC)cc1C ZINC000072219056 259530433 /nfs/dbraw/zinc/53/04/33/259530433.db2.gz KXWBPAZSKQBKOE-CYBMUJFWSA-N 1 1 233.359 2.979 40 0 BFABMO Fc1ccc(C[C@H]2CC[NH2+]CC2(F)F)cc1 ZINC000216401645 368312391 /nfs/dbraw/zinc/31/23/91/368312391.db2.gz JXZCOOIFHRNTCT-SNVBAGLBSA-N 1 1 229.245 2.613 40 0 BFABMO C[N@H+]1C[C@@H](CO)[C@@H](c2ccc(C(C)(C)C)cc2)C1 ZINC000225608829 259541152 /nfs/dbraw/zinc/54/11/52/259541152.db2.gz AATMIODLBAMVPX-DZGCQCFKSA-N 1 1 247.382 2.622 40 0 BFABMO CCCC[N@@H+](C)[C@@H](C)[C@H](O)c1ccccc1 ZINC000003764916 372064737 /nfs/dbraw/zinc/06/47/37/372064737.db2.gz FJIKJFWKVKMDTN-JSGCOSHPSA-N 1 1 221.344 2.840 40 0 BFABMO OC[C@@H]1CCC[N@@H+](CC/C=C/c2ccccc2)C1 ZINC000079438602 183118803 /nfs/dbraw/zinc/11/88/03/183118803.db2.gz BMNZYNIRVJKFRN-VCIFKONDSA-N 1 1 245.366 2.794 40 0 BFABMO CCCN(CCC)CC1([NH3+])CCCCC1 ZINC000020072277 169148096 /nfs/dbraw/zinc/14/80/96/169148096.db2.gz KRAKCJXJNFTDLO-UHFFFAOYSA-N 1 1 212.381 2.770 40 0 BFABMO CCCN(CC[C@H]([NH3+])C(C)C)Cc1ccco1 ZINC000096523804 169170153 /nfs/dbraw/zinc/17/01/53/169170153.db2.gz UKDZZCNKBUYJPD-AWEZNQCLSA-N 1 1 238.375 2.865 40 0 BFABMO CCCN1CC[N@@H+](CCC)[C@H]2CCCC[C@@H]21 ZINC000019365565 169202474 /nfs/dbraw/zinc/20/24/74/169202474.db2.gz QLWLQPCFOSNUKV-KBPBESRZSA-N 1 1 224.392 2.735 40 0 BFABMO CC(C)[N@H+](CCO)Cc1c(F)cccc1Cl ZINC000049824734 383819599 /nfs/dbraw/zinc/81/95/99/383819599.db2.gz FCVXAYNMBNECPS-UHFFFAOYSA-N 1 1 245.725 2.682 40 0 BFABMO CC(C)[N@@H+](CCO)Cc1c(F)cccc1Cl ZINC000049824734 383819604 /nfs/dbraw/zinc/81/96/04/383819604.db2.gz FCVXAYNMBNECPS-UHFFFAOYSA-N 1 1 245.725 2.682 40 0 BFABMO CC[N@@H+](CCO)CCc1cccc2ccccc21 ZINC000001689540 383923748 /nfs/dbraw/zinc/92/37/48/383923748.db2.gz ZUVMQNOCUJYVMJ-UHFFFAOYSA-N 1 1 243.350 2.697 40 0 BFABMO C[N@H+](Cc1ccccc1)C[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1O ZINC000004900825 384088848 /nfs/dbraw/zinc/08/88/48/384088848.db2.gz PHMYEAYOKNYDGR-UGUYLWEFSA-N 1 1 245.366 2.525 40 0 BFABMO CC(C)[N@H+](CCN)[C@H](C)c1ccc(F)cc1 ZINC000079421278 384143888 /nfs/dbraw/zinc/14/38/88/384143888.db2.gz ZTYMKJBOIWOJED-LLVKDONJSA-N 1 1 224.323 2.556 40 0 BFABMO CC(C)[N@@H+](CCN)[C@H](C)c1ccc(F)cc1 ZINC000079421278 384143896 /nfs/dbraw/zinc/14/38/96/384143896.db2.gz ZTYMKJBOIWOJED-LLVKDONJSA-N 1 1 224.323 2.556 40 0 BFABMO Cc1cc(C)nc([C@@H]2CCC[N@H+](C(C)C)C2)n1 ZINC000072356991 384210249 /nfs/dbraw/zinc/21/02/49/384210249.db2.gz UATRVSULFIGKJG-CYBMUJFWSA-N 1 1 233.359 2.681 40 0 BFABMO Cc1cncnc1[C@H]1CCCC[N@H+]1CC1CC1 ZINC000072361358 384212956 /nfs/dbraw/zinc/21/29/56/384212956.db2.gz XGTSLUUYKFLZQW-CYBMUJFWSA-N 1 1 231.343 2.722 40 0 BFABMO Cc1ccnc([C@H]2CC[N@H+](C3CCCCC3)C2)n1 ZINC000072381184 384216225 /nfs/dbraw/zinc/21/62/25/384216225.db2.gz HJTXPYJKTDXBHB-ZDUSSCGKSA-N 1 1 245.370 2.907 40 0 BFABMO CNc1cc([C@@H]2CC[N@H+]2C2CCCC2)nc(C)n1 ZINC000072387443 384219316 /nfs/dbraw/zinc/21/93/16/384219316.db2.gz VKENRTIGPVBAEE-ZDUSSCGKSA-N 1 1 246.358 2.516 40 0 BFABMO [NH3+]Cc1nc(-c2cc(Cl)cc(Cl)c2)no1 ZINC000082551190 384691126 /nfs/dbraw/zinc/69/11/26/384691126.db2.gz CPMPLOQRBYFVQS-UHFFFAOYSA-N 1 1 244.081 2.502 40 0 BFABMO CC[N@H+]1CCCC[C@H]1c1ccc(C)nc1 ZINC000072211253 385067149 /nfs/dbraw/zinc/06/71/49/385067149.db2.gz SHTLUNYUAGFTIH-ZDUSSCGKSA-N 1 1 204.317 2.937 40 0 BFABMO COc1ccc([C@H]2CCC[N@H+]2C(C)C)cn1 ZINC000072211664 385072737 /nfs/dbraw/zinc/07/27/37/385072737.db2.gz QCYODRFILJSDMQ-GFCCVEGCSA-N 1 1 220.316 2.636 40 0 BFABMO Cc1cncc([C@@H]2CCC[N@@H+]2C(C)C)c1 ZINC000072211342 385073031 /nfs/dbraw/zinc/07/30/31/385073031.db2.gz LVNNMYCEPFUUIC-ZDUSSCGKSA-N 1 1 204.317 2.935 40 0 BFABMO CCC[N@H+]1CCC[C@@H]1c1ccc(NC)nc1 ZINC000072212477 385074646 /nfs/dbraw/zinc/07/46/46/385074646.db2.gz OBYGQIHQJHOSIX-GFCCVEGCSA-N 1 1 219.332 2.670 40 0 BFABMO CCCC[N@H+]1CCCC[C@@H]1c1ccc(N)nc1 ZINC000072212384 385075168 /nfs/dbraw/zinc/07/51/68/385075168.db2.gz HQAVLPJFOFZYNG-CYBMUJFWSA-N 1 1 233.359 2.991 40 0 BFABMO CNc1ccc([C@H]2CCC[N@H+]2CC(C)C)cn1 ZINC000072212479 385076455 /nfs/dbraw/zinc/07/64/55/385076455.db2.gz BJCOIXQBWXAJLI-CYBMUJFWSA-N 1 1 233.359 2.916 40 0 BFABMO Cc1cc(NC(C)(C)C)[nH+]cc1[C@@H](C)O ZINC000072223970 385116080 /nfs/dbraw/zinc/11/60/80/385116080.db2.gz OEDWFMHIWMEVNR-SECBINFHSA-N 1 1 208.305 2.654 40 0 BFABMO COc1ccc([C@H]2CCC[N@H+]2C(C)C)c(C)n1 ZINC000072218076 385089902 /nfs/dbraw/zinc/08/99/02/385089902.db2.gz XMOMAAZJAIUDBG-CYBMUJFWSA-N 1 1 234.343 2.944 40 0 BFABMO COc1ncc([C@@H]2CCC[N@H+]2C(C)C)cc1C ZINC000072217720 385090529 /nfs/dbraw/zinc/09/05/29/385090529.db2.gz HAWDKJNRBZIGBP-ZDUSSCGKSA-N 1 1 234.343 2.944 40 0 BFABMO COc1ncc([C@H]2CCC[N@H+]2C(C)C)cc1C ZINC000072217721 385091028 /nfs/dbraw/zinc/09/10/28/385091028.db2.gz HAWDKJNRBZIGBP-CYBMUJFWSA-N 1 1 234.343 2.944 40 0 BFABMO CCC[N@H+]1CCC[C@H]1c1cnc(OC)c(C)c1 ZINC000072217723 385091429 /nfs/dbraw/zinc/09/14/29/385091429.db2.gz DUHWBEWYIXQRNT-ZDUSSCGKSA-N 1 1 234.343 2.946 40 0 BFABMO CC[N@H+]1CCC[C@H]1c1cccnc1N1CCCC1 ZINC000072215974 385092993 /nfs/dbraw/zinc/09/29/93/385092993.db2.gz LHBBHPZCXGISLF-AWEZNQCLSA-N 1 1 245.370 2.839 40 0 BFABMO COc1cc(C)c([C@@H]2CCC[N@H+]2C(C)C)cn1 ZINC000072218015 385093308 /nfs/dbraw/zinc/09/33/08/385093308.db2.gz SEOXTVWXHIWEIS-ZDUSSCGKSA-N 1 1 234.343 2.944 40 0 BFABMO Cc1nc(N)ccc1[C@@H]1CCC[N@@H+]1C(C)C ZINC000072218559 385101706 /nfs/dbraw/zinc/10/17/06/385101706.db2.gz ADBPZTLDCNLVHP-LBPRGKRZSA-N 1 1 219.332 2.518 40 0 BFABMO CC[N@H+]1CCC[C@@H]1c1cnc(NC)c(C)c1 ZINC000072218971 385103610 /nfs/dbraw/zinc/10/36/10/385103610.db2.gz RFUAFGRAVIOBIP-GFCCVEGCSA-N 1 1 219.332 2.589 40 0 BFABMO CC[N@H+]1CCCC[C@@H]1c1ccncc1C ZINC000072219529 385104094 /nfs/dbraw/zinc/10/40/94/385104094.db2.gz BDLXUJHDKXKZCM-CYBMUJFWSA-N 1 1 204.317 2.937 40 0 BFABMO Cc1cc(N2CCCC2)ncc1[C@@H]1CCC[N@@H+]1C ZINC000072218845 385104425 /nfs/dbraw/zinc/10/44/25/385104425.db2.gz FSDDOLKUFFICJH-AWEZNQCLSA-N 1 1 245.370 2.757 40 0 BFABMO CC[N@H+]1CCCC[C@H]1c1cnc(NC)c(C)c1 ZINC000072218997 385104428 /nfs/dbraw/zinc/10/44/28/385104428.db2.gz XKDZOOQNKZJHEH-ZDUSSCGKSA-N 1 1 233.359 2.979 40 0 BFABMO Cc1nc(N(C)C)ccc1[C@H]1CCCC[N@H+]1C ZINC000072218755 385105560 /nfs/dbraw/zinc/10/55/60/385105560.db2.gz GJNNQIXERKLWCK-CYBMUJFWSA-N 1 1 233.359 2.613 40 0 BFABMO CCC[N@H+]1CCC[C@@H]1c1cnc(NC)cc1C ZINC000072219041 385105638 /nfs/dbraw/zinc/10/56/38/385105638.db2.gz SMTPAHHHBWSFJG-CYBMUJFWSA-N 1 1 233.359 2.979 40 0 BFABMO COc1ccc([C@H]2CCCC[N@H+]2C)cc1 ZINC000072221509 385106342 /nfs/dbraw/zinc/10/63/42/385106342.db2.gz KSVIBVRZHTZGFY-CYBMUJFWSA-N 1 1 205.301 2.852 40 0 BFABMO C[n+]1cccc(-c2nc3ccc(Cl)cc3[nH]2)c1 ZINC000141451957 385159977 /nfs/dbraw/zinc/15/99/77/385159977.db2.gz PWENTKDNQYGDDA-UHFFFAOYSA-N 1 1 244.705 2.708 40 0 BFABMO Cc1ccc([C@@]2(O)C[C@@H](C)[N@H+](C)C[C@@H]2C)c(C)c1 ZINC000004142766 385557381 /nfs/dbraw/zinc/55/73/81/385557381.db2.gz BNPBCKRXUQEEPS-SQWLQELKSA-N 1 1 247.382 2.851 40 0 BFABMO Cc1ccc([C@@H](CN)[N@H+]2CCC[C@H](C)C2)cc1 ZINC000038827563 385676335 /nfs/dbraw/zinc/67/63/35/385676335.db2.gz VZNUIVSRDUUPPL-DZGCQCFKSA-N 1 1 232.371 2.727 40 0 BFABMO Cc1ccc([C@@H](C[NH3+])N2CCC[C@H](C)C2)cc1 ZINC000038827563 385676338 /nfs/dbraw/zinc/67/63/38/385676338.db2.gz VZNUIVSRDUUPPL-DZGCQCFKSA-N 1 1 232.371 2.727 40 0 BFABMO Cc1cc(-c2cc([C@@H]3CCC[N@@H+]3C)ccn2)n[nH]1 ZINC000257269465 385757805 /nfs/dbraw/zinc/75/78/05/385757805.db2.gz MQBCWYOSHAQBEM-AWEZNQCLSA-N 1 1 242.326 2.547 40 0 BFABMO Cc1ccc(C[N@H+]2CC[C@@H](c3cc[nH]n3)C2)cc1 ZINC000257302886 385762208 /nfs/dbraw/zinc/76/22/08/385762208.db2.gz SEVHHAWUTURHOY-CQSZACIVSA-N 1 1 241.338 2.708 40 0 BFABMO Cc1ccc(C[N@@H+]2CC[C@@H](c3ccn[nH]3)C2)cc1 ZINC000257302886 385762212 /nfs/dbraw/zinc/76/22/12/385762212.db2.gz SEVHHAWUTURHOY-CQSZACIVSA-N 1 1 241.338 2.708 40 0 BFABMO Cc1ccc(C[N@H+]2CC[C@@H](c3ccn[nH]3)C2)cc1 ZINC000257302886 385762220 /nfs/dbraw/zinc/76/22/20/385762220.db2.gz SEVHHAWUTURHOY-CQSZACIVSA-N 1 1 241.338 2.708 40 0 BFABMO CCCn1ccc(C[NH2+]Cc2ccccc2)n1 ZINC000256051164 387859081 /nfs/dbraw/zinc/85/90/81/387859081.db2.gz HZXAASHCHXEICO-UHFFFAOYSA-N 1 1 229.327 2.583 40 0 BFABMO CCCn1ccc(C[NH2+]Cc2cccs2)n1 ZINC000256052885 387860882 /nfs/dbraw/zinc/86/08/82/387860882.db2.gz PAQREXGKDZIUQB-UHFFFAOYSA-N 1 1 235.356 2.644 40 0 BFABMO CC[N@H+]1CCCCC[C@H]1[C@H]1CCCC1=O ZINC000242722853 388400874 /nfs/dbraw/zinc/40/08/74/388400874.db2.gz XXBZXXWRTLZNRL-NEPJUHHUSA-N 1 1 209.333 2.620 40 0 BFABMO O=C1CCN(c2ccccc2)c2cc[nH+]cc2N1 ZINC000092512398 388530365 /nfs/dbraw/zinc/53/03/65/388530365.db2.gz PHJXFWFPPSJNIT-UHFFFAOYSA-N 1 1 239.278 2.562 40 0 BFABMO Cc1cc[nH+]c(Nc2ccc3c(c2)OCO3)c1 ZINC000199811179 388655018 /nfs/dbraw/zinc/65/50/18/388655018.db2.gz LORIXZHTGWUIPN-UHFFFAOYSA-N 1 1 228.251 2.862 40 0 BFABMO C[N@H+]1C[C@H](CO)[C@@H](c2ccc(C(C)(C)C)cc2)C1 ZINC000225608854 388839433 /nfs/dbraw/zinc/83/94/33/388839433.db2.gz AATMIODLBAMVPX-UKRRQHHQSA-N 1 1 247.382 2.622 40 0 BFABMO CC(C)[N@H+]1CC[C@H](OC(=O)Nc2ccccc2)C1 ZINC000001569160 167027892 /nfs/dbraw/zinc/02/78/92/167027892.db2.gz WNCJMZVHWSLECL-ZDUSSCGKSA-N 1 1 248.326 2.718 40 0 BFABMO C[N@H+]1CCCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000005707473 173007454 /nfs/dbraw/zinc/00/74/54/173007454.db2.gz GOWRYACIDZSIHI-KGLIPLIRSA-N 1 1 219.328 2.594 40 0 biogenic,in-vitro BFABMO C[N@H+]1CCC[C@]2(CCCc3ccccc32)C1 ZINC000001627668 173062542 /nfs/dbraw/zinc/06/25/42/173062542.db2.gz PBSQCGBLDFOFBG-OAHLLOKOSA-N 1 1 215.340 2.986 40 0 BFABMO C[N@H+]1CC[C@H](Cc2ccc3ncccc3c2)C1 ZINC000072367715 173146847 /nfs/dbraw/zinc/14/68/47/173146847.db2.gz KUMOLQGBWOTIIC-CYBMUJFWSA-N 1 1 226.323 2.729 40 0 BFABMO C[C@@H](c1cccc(Cl)c1)[N@H+]1CCC[C@H](O)C1 ZINC000043220489 176017791 /nfs/dbraw/zinc/01/77/91/176017791.db2.gz JWCOLZVFSATOJX-GWCFXTLKSA-N 1 1 239.746 2.858 40 0 BFABMO C[C@@H]1CCCC[N@H+]1Cc1cccc(C=O)c1 ZINC000095738620 176072886 /nfs/dbraw/zinc/07/28/86/176072886.db2.gz LFKSENBXQNHAGH-GFCCVEGCSA-N 1 1 217.312 2.874 40 0 BFABMO C[C@@H]1CCC[N@@H+](Cc2ccccc2C=O)C1 ZINC000095738629 176101193 /nfs/dbraw/zinc/10/11/93/176101193.db2.gz SISUHXOCDSOAEI-GFCCVEGCSA-N 1 1 217.312 2.731 40 0 BFABMO C[C@@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CC[N@H+]2C ZINC000000967951 176503728 /nfs/dbraw/zinc/50/37/28/176503728.db2.gz YGSVZRIZCHZUHB-VCTAVGKDSA-N 1 1 231.339 2.546 40 0 BFABMO C[C@H](c1cccc(Cl)c1)[N@@H+](CCO)C1CC1 ZINC000079421120 177036947 /nfs/dbraw/zinc/03/69/47/177036947.db2.gz ZXPFSCLOIHDLLL-SNVBAGLBSA-N 1 1 239.746 2.858 40 0 BFABMO C[C@H]1CCCC[N@H+]1CCOc1ccccc1N ZINC000008703277 177075538 /nfs/dbraw/zinc/07/55/38/177075538.db2.gz NPIXPYYYLUQCJL-LBPRGKRZSA-N 1 1 234.343 2.522 40 0 BFABMO C[C@H]1CCC[N@@H+](Cc2ccc(C=O)cc2F)C1 ZINC000095738672 177102395 /nfs/dbraw/zinc/10/23/95/177102395.db2.gz WWCPNWXQDYXWIN-NSHDSACASA-N 1 1 235.302 2.870 40 0 BFABMO C[C@@H]1C[C@H](OC(=O)c2ccccc2)[C@@H](C)C[N@H+]1C ZINC000101176599 177239128 /nfs/dbraw/zinc/23/91/28/177239128.db2.gz CFHMFMSIDMLAND-SCRDCRAPSA-N 1 1 247.338 2.572 40 0 BFABMO CC[C@H](O)c1ccc(NC(C)C)[nH+]c1C ZINC000072224047 262722322 /nfs/dbraw/zinc/72/23/22/262722322.db2.gz GFJJGRLKYXCQHY-NSHDSACASA-N 1 1 208.305 2.654 40 0 BFABMO CC[C@@H]1Cc2[nH]ccc2[C@H](C(C)C)[N@H+]1C ZINC000260825815 323128614 /nfs/dbraw/zinc/12/86/14/323128614.db2.gz FJMCVKFCWPJSRX-MFKMUULPSA-N 1 1 206.333 2.978 40 0 BFABMO CCC[N@H+]1CCc2[nH]ccc2[C@H]1C(C)C ZINC000260825868 323128676 /nfs/dbraw/zinc/12/86/76/323128676.db2.gz JSHQBIDFDDFINF-CYBMUJFWSA-N 1 1 206.333 2.980 40 0 BFABMO c1ccc2c(c1)cc[nH+]c2NC[C@H]1CCCO1 ZINC000144673746 325677412 /nfs/dbraw/zinc/67/74/12/325677412.db2.gz PHSQLNZWHXXALD-GFCCVEGCSA-N 1 1 228.295 2.826 40 0 BFABMO Cc1cc(CN2C[C@H]3CCC[N@@H+]3C[C@H]2C)oc1C ZINC000072324747 178008522 /nfs/dbraw/zinc/00/85/22/178008522.db2.gz FLHGHJKACAGEMC-TZMCWYRMSA-N 1 1 248.370 2.565 40 0 BFABMO Cc1cc(NCCC[NH3+])c2cc(Cl)ccc2n1 ZINC000222687418 178160680 /nfs/dbraw/zinc/16/06/80/178160680.db2.gz HMOWZOQMHFGADD-UHFFFAOYSA-N 1 1 249.745 2.957 40 0 BFABMO CCCC[N@H+]1CCC[C@H]1c1ccc(N)nc1 ZINC000072212368 259317272 /nfs/dbraw/zinc/31/72/72/259317272.db2.gz XKIBTYGERLIZDW-LBPRGKRZSA-N 1 1 219.332 2.601 40 0 BFABMO CC[N@H+]1CCC[C@@H]1c1ccc(Cl)nc1 ZINC000072211442 259317430 /nfs/dbraw/zinc/31/74/30/259317430.db2.gz QVQHNRNGAKKSKS-SNVBAGLBSA-N 1 1 210.708 2.892 40 0 BFABMO Nc1ccc([NH2+]C2CCCCC2)c(N)c1 ZINC000005571615 342766314 /nfs/dbraw/zinc/76/63/14/342766314.db2.gz KGEIRVXZMNQILN-UHFFFAOYSA-N 1 1 205.305 2.596 40 0 BFABMO CCCN(CCC)c1cc(C)c(CO)c[nH+]1 ZINC000072223280 259320912 /nfs/dbraw/zinc/32/09/12/259320912.db2.gz MODPVQXIDKHRGI-UHFFFAOYSA-N 1 1 222.332 2.509 40 0 BFABMO C[C@H](N[C@@H]1CCCC[C@H]1[NH3+])c1ccccc1 ZINC000252516239 259325986 /nfs/dbraw/zinc/32/59/86/259325986.db2.gz QQTZYYSHFALROI-IACUBPJLSA-N 1 1 218.344 2.607 40 0 BFABMO CCN(CC)[C@@H](C[NH3+])c1ccc(C)c(C)c1 ZINC000037179874 349769566 /nfs/dbraw/zinc/76/95/66/349769566.db2.gz BYVOKHPWVFBFJD-AWEZNQCLSA-N 1 1 220.360 2.645 40 0 BFABMO CC[C@@H](c1ccccc1)[N@@H+](CCO)C1CC1 ZINC000079421155 343400334 /nfs/dbraw/zinc/40/03/34/343400334.db2.gz GGSPMMIVUKYXFJ-AWEZNQCLSA-N 1 1 219.328 2.594 40 0 BFABMO COC(=O)C[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000042684503 343447972 /nfs/dbraw/zinc/44/79/72/343447972.db2.gz GMACJDSFVJXSTG-CQSZACIVSA-N 1 1 247.338 2.604 40 0 BFABMO CCC(O)(CC)c1c(N)[nH+]ccc1C(C)C ZINC000257197728 344239898 /nfs/dbraw/zinc/23/98/98/344239898.db2.gz HNPYEWYKJGIYIN-UHFFFAOYSA-N 1 1 222.332 2.795 40 0 BFABMO Cc1nc([C@@]2(C)CCC[N@H+](C)C2)c2sccn12 ZINC000585178936 344276175 /nfs/dbraw/zinc/27/61/75/344276175.db2.gz YZZMWJYCDIPNLB-ZDUSSCGKSA-N 1 1 249.383 2.688 40 0 BFABMO CC(C)C[N@H+]1CC[C@@H]2[C@@H]1CCN2Cc1ccco1 ZINC000096055769 344365949 /nfs/dbraw/zinc/36/59/49/344365949.db2.gz PDSPCPVVEVVJNK-LSDHHAIUSA-N 1 1 248.370 2.584 40 0 BFABMO CCCC[N@H+]1CCC[C@H]1c1c[nH]c(=O)c(C)c1 ZINC000072217964 344514154 /nfs/dbraw/zinc/51/41/54/344514154.db2.gz VNBLRVJJARNRJA-ZDUSSCGKSA-N 1 1 234.343 2.620 40 0 BFABMO CC[N@H+]1CCC[C@H]1c1ccc(OC)cc1 ZINC000072221503 344514780 /nfs/dbraw/zinc/51/47/80/344514780.db2.gz QJOLABOJHFCGJD-ZDUSSCGKSA-N 1 1 205.301 2.852 40 0 BFABMO CCC[C@@H](C(=O)c1ccccc1)[NH+](C)C ZINC000167259195 346223623 /nfs/dbraw/zinc/22/36/23/346223623.db2.gz WFXNELBKSSVCEJ-LBPRGKRZSA-N 1 1 205.301 2.600 40 0 in-vitro BFABMO CCCn1c(C)[nH+]c2c1cc(C)cc2N ZINC000001581817 346450952 /nfs/dbraw/zinc/45/09/52/346450952.db2.gz NHFYARHMHKCKML-UHFFFAOYSA-N 1 1 203.289 2.645 40 0 BFABMO Cc1cccc([C@@H](C[NH3+])N2CCC(C)CC2)c1 ZINC000038827628 179184632 /nfs/dbraw/zinc/18/46/32/179184632.db2.gz WGZCZGXGPLENLO-OAHLLOKOSA-N 1 1 232.371 2.727 40 0 BFABMO [NH3+][C@@H](CN1CCCCCC1)c1ccccc1 ZINC000019821182 347290379 /nfs/dbraw/zinc/29/03/79/347290379.db2.gz JHRUWBKUZLCAEJ-AWEZNQCLSA-N 1 1 218.344 2.562 40 0 BFABMO [NH3+][C@H](CN1CCCCCC1)c1ccccc1 ZINC000019821184 347290518 /nfs/dbraw/zinc/29/05/18/347290518.db2.gz JHRUWBKUZLCAEJ-CQSZACIVSA-N 1 1 218.344 2.562 40 0 BFABMO c1cc(C[C@H]2CCC[N@H+](C3CCCC3)C2)n[nH]1 ZINC000205691732 347452173 /nfs/dbraw/zinc/45/21/73/347452173.db2.gz HYPQWRFAILYTRL-GFCCVEGCSA-N 1 1 233.359 2.607 40 0 BFABMO c1cc(C[C@H]2CCC[N@@H+](C3CCCC3)C2)[nH]n1 ZINC000205691732 347452176 /nfs/dbraw/zinc/45/21/76/347452176.db2.gz HYPQWRFAILYTRL-GFCCVEGCSA-N 1 1 233.359 2.607 40 0 BFABMO c1cc(C[C@H]2CCC[N@H+](C3CCCC3)C2)[nH]n1 ZINC000205691732 347452180 /nfs/dbraw/zinc/45/21/80/347452180.db2.gz HYPQWRFAILYTRL-GFCCVEGCSA-N 1 1 233.359 2.607 40 0 BFABMO C1CCC([N@H+]2CCN[C@@H]3CCCC[C@H]32)CC1 ZINC000218827589 187390378 /nfs/dbraw/zinc/39/03/78/187390378.db2.gz KLNNTSMKRXXOKT-ZIAGYGMSSA-N 1 1 222.376 2.536 40 0 BFABMO Cc1cccnc1NC(=[NH2+])Nc1ncccc1C ZINC000001571139 179389734 /nfs/dbraw/zinc/38/97/34/179389734.db2.gz IGOZXVQFJKKPQT-UHFFFAOYSA-N 1 1 241.298 2.552 40 0 BFABMO Cc1c(Cl)cccc1C[N@H+]1CCC[C@@H](O)C1 ZINC000038539512 362965752 /nfs/dbraw/zinc/96/57/52/362965752.db2.gz NCKQWSMZYKGVHA-GFCCVEGCSA-N 1 1 239.746 2.605 40 0 BFABMO CC(C)Cn1ccc(C[NH2+]Cc2cccs2)n1 ZINC000256052299 188192950 /nfs/dbraw/zinc/19/29/50/188192950.db2.gz MTYWEJFERPDWGK-UHFFFAOYSA-N 1 1 249.383 2.890 40 0 BFABMO c1ccc(C2=N[C@H]3CCCC[C@H]3[NH+]=CC2)cc1 ZINC000020153849 188462395 /nfs/dbraw/zinc/46/23/95/188462395.db2.gz VVUDASVFKRRYKL-CABCVRRESA-N 1 1 226.323 2.904 40 0 BFABMO Cc1cc(N)ccc1[NH+]1[C@H](C)CC[C@H]1C ZINC000008701407 368317421 /nfs/dbraw/zinc/31/74/21/368317421.db2.gz DYDIERCDZVCGKM-GHMZBOCLSA-N 1 1 204.317 2.954 40 0 BFABMO C[N@H+]1CCC[C@@H](Cc2ccnc(Cl)c2)C1 ZINC000205698520 368359931 /nfs/dbraw/zinc/35/99/31/368359931.db2.gz NXWVIWWLDVFSCM-NSHDSACASA-N 1 1 224.735 2.619 40 0 BFABMO C[N@H+]1CCC[C@H]1c1cccc(NCC(F)F)n1 ZINC000205697958 368360282 /nfs/dbraw/zinc/36/02/82/368360282.db2.gz SXTPPMITMCYLNV-JTQLQIEISA-N 1 1 241.285 2.525 40 0 BFABMO CC[N@H+]1CCC[C@H]1c1cc(OC)ccc1OC ZINC000057621051 369401722 /nfs/dbraw/zinc/40/17/22/369401722.db2.gz RJDHXOWPLVSCDD-ZDUSSCGKSA-N 1 1 235.327 2.861 40 0 BFABMO O[C@H]1CC[N@H+](Cc2cc(Cl)ccc2Cl)C1 ZINC000072203665 183239863 /nfs/dbraw/zinc/23/98/63/183239863.db2.gz KFFYBXDRTKRBKZ-JTQLQIEISA-N 1 1 246.137 2.560 40 0 BFABMO O[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2Cl)C1 ZINC000072203665 183239864 /nfs/dbraw/zinc/23/98/64/183239864.db2.gz KFFYBXDRTKRBKZ-JTQLQIEISA-N 1 1 246.137 2.560 40 0 BFABMO CSc1ccc([C@@H]2CCC[N@H+]2C)cn1 ZINC000034617901 383981050 /nfs/dbraw/zinc/98/10/50/383981050.db2.gz ISKHXJIFWZYZAN-JTQLQIEISA-N 1 1 208.330 2.570 40 0 BFABMO Cc1cc(C)c(NC(=O)[C@H]2CCC[N@@H+]2C)c(C)c1 ZINC000004893737 384088808 /nfs/dbraw/zinc/08/88/08/384088808.db2.gz OHFQNJAIZIYKSC-CYBMUJFWSA-N 1 1 246.354 2.645 40 0 BFABMO CC[N@@H+](CCO)C[C@H]1CCC[C@H]2CCCC[C@@H]21 ZINC000005766909 384130059 /nfs/dbraw/zinc/13/00/59/384130059.db2.gz OMNYFBVXUCYWNL-KFWWJZLASA-N 1 1 239.403 2.907 40 0 in-vitro BFABMO CC[C@H](c1ccccc1)[N@@H+](CCO)C(C)C ZINC000079421149 384141715 /nfs/dbraw/zinc/14/17/15/384141715.db2.gz UMFJFXVOSBORQH-CQSZACIVSA-N 1 1 221.344 2.840 40 0 BFABMO Fc1ccc(-c2cn[nH]c2[C@@H]2CCC[NH2+]2)cc1 ZINC000072187636 384198013 /nfs/dbraw/zinc/19/80/13/384198013.db2.gz YMBAMYRSJRDEFE-LBPRGKRZSA-N 1 1 231.274 2.640 40 0 BFABMO Cc1cncnc1[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC000072356812 384211400 /nfs/dbraw/zinc/21/14/00/384211400.db2.gz NPNLWQMPTRRSEP-CYBMUJFWSA-N 1 1 245.370 2.907 40 0 BFABMO Cc1cc(C)nc([C@H]2CCC[N@H+](C(C)C)C2)n1 ZINC000072356992 384211948 /nfs/dbraw/zinc/21/19/48/384211948.db2.gz UATRVSULFIGKJG-ZDUSSCGKSA-N 1 1 233.359 2.681 40 0 BFABMO Cc1cccc([C@H]2C[N@@H+](C3CCCC3)CCO2)n1 ZINC000072381178 384216409 /nfs/dbraw/zinc/21/64/09/384216409.db2.gz IHCYGRIDXVKWRF-OAHLLOKOSA-N 1 1 246.354 2.706 40 0 BFABMO Cc1cccc([C@H]2C[N@H+](C3CCCC3)CCO2)n1 ZINC000072381178 384216413 /nfs/dbraw/zinc/21/64/13/384216413.db2.gz IHCYGRIDXVKWRF-OAHLLOKOSA-N 1 1 246.354 2.706 40 0 BFABMO C[C@H](NC(C)(C)C)[C@H](C)[NH2+]C(C)(C)C ZINC000095093145 384362507 /nfs/dbraw/zinc/36/25/07/384362507.db2.gz KEPBYALUNVNGRN-UWVGGRQHSA-N 1 1 200.370 2.540 40 0 BFABMO c1ccc(C2=N[C@@H]3CCCC[C@@H]3[NH+]=CC2)cc1 ZINC000020153853 384584673 /nfs/dbraw/zinc/58/46/73/384584673.db2.gz VVUDASVFKRRYKL-LSDHHAIUSA-N 1 1 226.323 2.904 40 0 BFABMO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](C)C2)c(C)c1 ZINC000082322510 384666233 /nfs/dbraw/zinc/66/62/33/384666233.db2.gz WFMMITYDSHVLCO-CYBMUJFWSA-N 1 1 246.354 2.584 40 0 BFABMO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](C)C2)cc1C ZINC000082322779 384667130 /nfs/dbraw/zinc/66/71/30/384667130.db2.gz WDHJBSKPWOYCGA-CYBMUJFWSA-N 1 1 246.354 2.584 40 0 BFABMO Cc1ccnc([C@@H]2CCC[N@@H+]2C(C)C)c1 ZINC000072211185 385067495 /nfs/dbraw/zinc/06/74/95/385067495.db2.gz CGBTZIIAOGEYPR-ZDUSSCGKSA-N 1 1 204.317 2.935 40 0 BFABMO Cc1ccc([C@H]2CCC[N@@H+]2C(C)C)cn1 ZINC000072211239 385068694 /nfs/dbraw/zinc/06/86/94/385068694.db2.gz ICDCUNJBFATMKI-CYBMUJFWSA-N 1 1 204.317 2.935 40 0 BFABMO CC[N@H+]1CCCC[C@@H]1c1cccnc1C ZINC000072211304 385069999 /nfs/dbraw/zinc/06/99/99/385069999.db2.gz TZBRNZPVMYGCCA-CYBMUJFWSA-N 1 1 204.317 2.937 40 0 BFABMO CC[N@H+]1CCCC[C@@H]1c1ccc(OC)nc1 ZINC000072211679 385071212 /nfs/dbraw/zinc/07/12/12/385071212.db2.gz UPDMWTHFYWSOKG-GFCCVEGCSA-N 1 1 220.316 2.637 40 0 BFABMO CCC[N@H+]1CCC[C@H]1c1ccc(OC)nc1 ZINC000072211667 385073010 /nfs/dbraw/zinc/07/30/10/385073010.db2.gz DDWBXFINMMRYCA-LBPRGKRZSA-N 1 1 220.316 2.637 40 0 BFABMO CC(C)Oc1ccc([C@H]2CCC[N@H+]2C)cn1 ZINC000072211885 385075257 /nfs/dbraw/zinc/07/52/57/385075257.db2.gz PCUFORPUSGQGKU-GFCCVEGCSA-N 1 1 220.316 2.636 40 0 BFABMO CC(C)[N@H+]1CCCC[C@@H]1c1ccc(=O)[nH]c1 ZINC000072212268 385075475 /nfs/dbraw/zinc/07/54/75/385075475.db2.gz JVPVYEDCUBYHRU-GFCCVEGCSA-N 1 1 220.316 2.723 40 0 BFABMO CCC[N@H+]1CCC[C@H]1c1ccc(NC)nc1 ZINC000072212478 385076752 /nfs/dbraw/zinc/07/67/52/385076752.db2.gz OBYGQIHQJHOSIX-LBPRGKRZSA-N 1 1 219.332 2.670 40 0 BFABMO CC(C)[N@H+]1CCCC[C@H]1c1ccc[nH]c1=O ZINC000072212327 385076984 /nfs/dbraw/zinc/07/69/84/385076984.db2.gz SVAMJETUUGGTPV-LBPRGKRZSA-N 1 1 220.316 2.723 40 0 BFABMO CCNc1ccc([C@@H]2CCCC[N@H+]2C)cn1 ZINC000072213088 385079653 /nfs/dbraw/zinc/07/96/53/385079653.db2.gz HHTOTOANMRVBDZ-LBPRGKRZSA-N 1 1 219.332 2.670 40 0 BFABMO CC(C)CNc1ccc([C@@H]2CCC[N@H+]2C)cn1 ZINC000072213299 385079684 /nfs/dbraw/zinc/07/96/84/385079684.db2.gz SSGWODYVFJRHJE-ZDUSSCGKSA-N 1 1 233.359 2.916 40 0 BFABMO CC[C@H](O)c1ccc(N2CCCCC2)[nH+]c1C ZINC000072224546 385119114 /nfs/dbraw/zinc/11/91/14/385119114.db2.gz JMFZEMNZCMDISL-ZDUSSCGKSA-N 1 1 234.343 2.824 40 0 BFABMO CC[N@H+]1CCCC[C@@H]1c1cnc(OC)cc1C ZINC000072218032 385086683 /nfs/dbraw/zinc/08/66/83/385086683.db2.gz BMBUMDDQFHTIAW-CYBMUJFWSA-N 1 1 234.343 2.946 40 0 BFABMO COc1ccc([C@@H]2CCCC[N@H+]2C)c(C)n1 ZINC000072218090 385089147 /nfs/dbraw/zinc/08/91/47/385089147.db2.gz QJWHRMJAZKAIIA-LBPRGKRZSA-N 1 1 220.316 2.555 40 0 BFABMO CC[N@H+]1CCC[C@H]1c1cnc(OC)c(C)c1 ZINC000072217713 385089470 /nfs/dbraw/zinc/08/94/70/385089470.db2.gz CRBBZPCPGOPPJN-LBPRGKRZSA-N 1 1 220.316 2.555 40 0 BFABMO COc1ccc([C@H]2CCCC[N@H+]2C)c(C)n1 ZINC000072218091 385089744 /nfs/dbraw/zinc/08/97/44/385089744.db2.gz QJWHRMJAZKAIIA-GFCCVEGCSA-N 1 1 220.316 2.555 40 0 BFABMO COc1ncc([C@@H]2CCCC[N@H+]2C)cc1C ZINC000072217735 385089765 /nfs/dbraw/zinc/08/97/65/385089765.db2.gz RBWDZKNOHAAYOK-LBPRGKRZSA-N 1 1 220.316 2.555 40 0 BFABMO C[N@H+]1CCCC[C@@H]1c1ccc(=S)[nH]c1 ZINC000072217015 385098834 /nfs/dbraw/zinc/09/88/34/385098834.db2.gz ZXENXLROHJDFGG-SNVBAGLBSA-N 1 1 208.330 2.527 40 0 BFABMO Cc1nc(N)ccc1[C@@H]1CCC[N@@H+]1CC(C)C ZINC000072218563 385101025 /nfs/dbraw/zinc/10/10/25/385101025.db2.gz ZOTBGCYHHKCALE-ZDUSSCGKSA-N 1 1 233.359 2.765 40 0 BFABMO CC[N@H+]1CCC[C@@H]1c1c[nH]c(=S)c(C)c1 ZINC000072218251 385101097 /nfs/dbraw/zinc/10/10/97/385101097.db2.gz MBIFUZJZQMGQPY-LLVKDONJSA-N 1 1 222.357 2.836 40 0 BFABMO Cc1nc(N)ccc1[C@H]1CCC[N@@H+]1C(C)C ZINC000072218560 385102096 /nfs/dbraw/zinc/10/20/96/385102096.db2.gz ADBPZTLDCNLVHP-GFCCVEGCSA-N 1 1 219.332 2.518 40 0 BFABMO CC[N@H+]1CCC[C@@H]1c1cnc(N(C)C)c(C)c1 ZINC000072218611 385102208 /nfs/dbraw/zinc/10/22/08/385102208.db2.gz MVZMHDAFOGHOFT-CYBMUJFWSA-N 1 1 233.359 2.613 40 0 BFABMO CNc1ccc([C@@H]2CCCC[N@H+]2C)c(C)n1 ZINC000072219114 385103459 /nfs/dbraw/zinc/10/34/59/385103459.db2.gz SFOAVQNHPANUAU-LBPRGKRZSA-N 1 1 219.332 2.589 40 0 BFABMO CC[N@H+]1CCC[C@H]1c1ccc(N(C)C)nc1C ZINC000072218732 385103896 /nfs/dbraw/zinc/10/38/96/385103896.db2.gz BEKOXTWNHIBRFW-ZDUSSCGKSA-N 1 1 233.359 2.613 40 0 BFABMO CCC[N@H+]1CCC[C@@H]1c1ccnc(C)c1 ZINC000072219459 385104480 /nfs/dbraw/zinc/10/44/80/385104480.db2.gz SMSCPQHKHTXATC-CYBMUJFWSA-N 1 1 204.317 2.937 40 0 BFABMO CC[N@H+]1CCCC[C@@H]1c1ccc(NC)nc1C ZINC000072219116 385104662 /nfs/dbraw/zinc/10/46/62/385104662.db2.gz AGHWNGQYRIOJLZ-CYBMUJFWSA-N 1 1 233.359 2.979 40 0 BFABMO CC[N@H+]1CCC[C@H]1c1cnc(N(C)C)cc1C ZINC000072218672 385105315 /nfs/dbraw/zinc/10/53/15/385105315.db2.gz WQXKKEQCJANMHW-ZDUSSCGKSA-N 1 1 233.359 2.613 40 0 BFABMO Cc1nc(N2CCCC2)ccc1[C@@H]1CCC[N@@H+]1C ZINC000072218905 385105590 /nfs/dbraw/zinc/10/55/90/385105590.db2.gz DSKBNCOHDBSCOK-AWEZNQCLSA-N 1 1 245.370 2.757 40 0 BFABMO Cc1cc(C)nc([C@H]2CC[N@@H+](CC3CCC3)C2)n1 ZINC000257231347 385755075 /nfs/dbraw/zinc/75/50/75/385755075.db2.gz GGGZFCDZORDENU-AWEZNQCLSA-N 1 1 245.370 2.683 40 0 BFABMO Cc1ccc(C[N@@H+]2CCN[C@H]3CCCC[C@H]32)cc1 ZINC000218829727 386036882 /nfs/dbraw/zinc/03/68/82/386036882.db2.gz VHXZCDVILTXYHM-JKSUJKDBSA-N 1 1 244.382 2.711 40 0 BFABMO Cc1ccc(C[N@H+]2CCN[C@H]3CCCC[C@H]32)cc1 ZINC000218829727 386036893 /nfs/dbraw/zinc/03/68/93/386036893.db2.gz VHXZCDVILTXYHM-JKSUJKDBSA-N 1 1 244.382 2.711 40 0 BFABMO [NH3+]Cc1nc(-c2ccc(Cl)c(Cl)c2)no1 ZINC000022119758 386743344 /nfs/dbraw/zinc/74/33/44/386743344.db2.gz YHEAOHRYAZTCRB-UHFFFAOYSA-N 1 1 244.081 2.502 40 0 BFABMO CC(C)n1ccc(C[NH2+]Cc2ccccc2)n1 ZINC000084225550 387855737 /nfs/dbraw/zinc/85/57/37/387855737.db2.gz XLBONUSERIAKKK-UHFFFAOYSA-N 1 1 229.327 2.754 40 0 BFABMO CCCn1ccc(C[NH2+]Cc2ccc(F)cc2)n1 ZINC000256051416 387858833 /nfs/dbraw/zinc/85/88/33/387858833.db2.gz JBXCQZSILFVPQS-UHFFFAOYSA-N 1 1 247.317 2.722 40 0 BFABMO O=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(F)cc1 ZINC000054602994 388417832 /nfs/dbraw/zinc/41/78/32/388417832.db2.gz YJTKTIYENPOKIG-BETUJISGSA-N 1 1 233.286 2.522 40 0 BFABMO Cc1ccc([C@@H]([NH3+])CN2CCCCCC2)cc1 ZINC000019821210 388748037 /nfs/dbraw/zinc/74/80/37/388748037.db2.gz JYNHGBAAFUVMLW-HNNXBMFYSA-N 1 1 232.371 2.871 40 0 BFABMO C[NH+](C)CCN1CCC(Cc2ccccc2)CC1 ZINC000022463308 397974581 /nfs/dbraw/zinc/97/45/81/397974581.db2.gz NVZYWFPWKZIVMO-UHFFFAOYSA-N 1 1 246.398 2.503 40 0 in-man BFABMO CC[C@@H]1Cc2[nH]ccc2[C@@H](C(C)C)[N@H+]1C ZINC000223714656 171143919 /nfs/dbraw/zinc/14/39/19/171143919.db2.gz FJMCVKFCWPJSRX-ZWNOBZJWSA-N 1 1 206.333 2.978 40 0 BFABMO C[N@@H+]1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC000075907150 173010740 /nfs/dbraw/zinc/01/07/40/173010740.db2.gz KEACLUWMRTYPNZ-LBPRGKRZSA-N 1 1 215.300 2.720 40 0 BFABMO C[N@H+]1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC000075907150 173010742 /nfs/dbraw/zinc/01/07/42/173010742.db2.gz KEACLUWMRTYPNZ-LBPRGKRZSA-N 1 1 215.300 2.720 40 0 BFABMO C[C@H]1C[N@@H+](C)C(C)(C)C[C@]1(O)c1ccccc1 ZINC000004743705 177232562 /nfs/dbraw/zinc/23/25/62/177232562.db2.gz SSRPOTWODWIGHO-SWLSCSKDSA-N 1 1 233.355 2.624 40 0 BFABMO CC(C)CN(CC(C)C)C[C@@H]1CCCC[NH2+]1 ZINC000042034602 487720536 /nfs/dbraw/zinc/72/05/36/487720536.db2.gz IJDXGAVNCZTKGD-AWEZNQCLSA-N 1 1 226.408 2.743 40 0 BFABMO [NH3+]C1(CN2CCCCCCC2)CCCCC1 ZINC000021816457 323090742 /nfs/dbraw/zinc/09/07/42/323090742.db2.gz PSZIFCOLQGOUGL-UHFFFAOYSA-N 1 1 224.392 2.914 40 0 BFABMO