smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC(CC)(CO)Nc1cn[nH+]c2ccccc12 ZINC000104104363 168330340 /nfs/dbraw/zinc/33/03/40/168330340.db2.gz NZLJBPFIIBQASS-UHFFFAOYSA-N 1 2 245.326 2.593 10 0 BFAELO Cc1ncsc1CN(C)c1ccc([NH3+])cc1C ZINC000104441888 178105904 /nfs/dbraw/zinc/10/59/04/178105904.db2.gz ZCYHLPATUCOEJU-UHFFFAOYSA-N 1 2 247.367 2.979 10 0 BFAELO Cc1cc([NH2+]CCc2ccncc2)ccc1N ZINC000048261089 178163376 /nfs/dbraw/zinc/16/33/76/178163376.db2.gz MRBBVNDWAKCUOR-UHFFFAOYSA-N 1 2 227.311 2.627 10 0 BFAELO Cc1ccc(-c2[nH]c3ccc(N)cc3[nH+]2)cn1 ZINC000019476931 178336927 /nfs/dbraw/zinc/33/69/27/178336927.db2.gz QREYIAHQGGXNTM-UHFFFAOYSA-N 1 2 224.267 2.516 10 0 BFAELO [NH3+][C@@H](c1cc(F)ccc1Cl)C(F)F ZINC000226551591 342814247 /nfs/dbraw/zinc/81/42/47/342814247.db2.gz RQBZJCNXSBVPPC-ZETCQYMHSA-N 1 2 209.598 2.744 10 0 BFAELO Cc1cc[nH+]c(N[C@@H]2CCC[C@@H](O)C2)c1Cl ZINC000390511590 539022635 /nfs/dbraw/zinc/02/26/35/539022635.db2.gz ZUPYVZWRZSHKNZ-NXEZZACHSA-N 1 2 240.734 2.759 10 0 BFAELO ClC(Cl)=CCNc1cccc[nH+]1 ZINC000407109313 342893787 /nfs/dbraw/zinc/89/37/87/342893787.db2.gz GBMBQSNTCUQDHV-UHFFFAOYSA-N 1 2 203.072 2.813 10 0 BFAELO CNc1c(N)c[nH+]c2c(Cl)cc(Cl)cc12 ZINC000584882496 343084578 /nfs/dbraw/zinc/08/45/78/343084578.db2.gz IBLKGOREGIEUDB-UHFFFAOYSA-N 1 2 242.109 2.587 10 0 BFAELO Nc1c[nH+]c2cc(Cl)c(F)c(Cl)c2c1N ZINC000584882281 343084679 /nfs/dbraw/zinc/08/46/79/343084679.db2.gz YYLPFPHBEBIFIM-UHFFFAOYSA-N 1 2 246.072 2.675 10 0 BFAELO CCCOc1cccc2c(NC)c(N)c[nH+]c12 ZINC000584882857 343085392 /nfs/dbraw/zinc/08/53/92/343085392.db2.gz WZEIWVGPINMTOE-UHFFFAOYSA-N 1 2 231.299 2.648 10 0 BFAELO CCNc1c(N)c[nH+]c2c(F)c(C)ccc12 ZINC000584882765 343085423 /nfs/dbraw/zinc/08/54/23/343085423.db2.gz QARUXMAYCZRLMB-UHFFFAOYSA-N 1 2 219.263 2.696 10 0 BFAELO CC(C)[N@@H+]1CCOC[C@@H]1c1ccc(F)cc1 ZINC000141435960 343093839 /nfs/dbraw/zinc/09/38/39/343093839.db2.gz FTSUSYGLDLZEBB-CYBMUJFWSA-N 1 2 223.291 2.607 10 0 BFAELO CC(C)[N@H+]1CCOC[C@@H]1c1ccc(F)cc1 ZINC000141435960 343093841 /nfs/dbraw/zinc/09/38/41/343093841.db2.gz FTSUSYGLDLZEBB-CYBMUJFWSA-N 1 2 223.291 2.607 10 0 BFAELO CCOc1ccc2[nH+]c(N)c(C)cc2c1 ZINC000032099306 343229589 /nfs/dbraw/zinc/22/95/89/343229589.db2.gz CFXWMBFOVINAGT-UHFFFAOYSA-N 1 2 202.257 2.524 10 0 BFAELO COC1=CCc2[nH]c3c(cc[nH+]c3C)c2C1 ZINC000238394062 343255791 /nfs/dbraw/zinc/25/57/91/343255791.db2.gz QEHZYAQEAPLWAT-UHFFFAOYSA-N 1 2 214.268 2.500 10 0 BFAELO CCCc1[nH+]c(C)c2c(C)nc3cccnc3n12 ZINC000039124200 343385881 /nfs/dbraw/zinc/38/58/81/343385881.db2.gz OTEGQHZFWMDYKX-UHFFFAOYSA-N 1 2 240.310 2.847 10 0 BFAELO CC(C)Cn1cc[nH+]c1-c1ccc(N)cc1 ZINC000038001289 187261633 /nfs/dbraw/zinc/26/16/33/187261633.db2.gz OUCGWQLWPFKVED-UHFFFAOYSA-N 1 2 215.300 2.788 10 0 BFAELO CCn1cc[nH+]c1C[S@@](=O)c1ccccc1C ZINC000177293677 259363187 /nfs/dbraw/zinc/36/31/87/259363187.db2.gz VFYHESXGJOAAQU-QGZVFWFLSA-N 1 2 248.351 2.519 10 0 BFAELO CNc1nc(NCc2ccccc2)c(Cl)c[nH+]1 ZINC000128359599 346952435 /nfs/dbraw/zinc/95/24/35/346952435.db2.gz BCZWSKVWDCRTFF-UHFFFAOYSA-N 1 2 248.717 2.784 10 0 BFAELO COC(=[NH2+])CCc1c[nH]nc1-c1cccs1 ZINC000409441955 343856470 /nfs/dbraw/zinc/85/64/70/343856470.db2.gz VNTBOLVIVJURAB-UHFFFAOYSA-N 1 2 235.312 2.694 10 0 BFAELO [NH3+]CCc1c(-c2ccsc2)[nH]nc1C1CCC1 ZINC000409439059 343846549 /nfs/dbraw/zinc/84/65/49/343846549.db2.gz GHHBRHGNFKTVDX-UHFFFAOYSA-N 1 2 247.367 2.907 10 0 BFAELO CCc1[nH]nc(C2CCC2)c1CCC(=[NH2+])OC ZINC000409442428 343858457 /nfs/dbraw/zinc/85/84/57/343858457.db2.gz ZVMYEBJWCRHWDP-UHFFFAOYSA-N 1 2 235.331 2.796 10 0 BFAELO CCc1n[nH]c(C2CCC2)c1CCC(=[NH2+])OC ZINC000409442428 343858458 /nfs/dbraw/zinc/85/84/58/343858458.db2.gz ZVMYEBJWCRHWDP-UHFFFAOYSA-N 1 2 235.331 2.796 10 0 BFAELO CC[C@H](c1ccccc1)c1cc(N)nc(C)[nH+]1 ZINC000575622331 343869406 /nfs/dbraw/zinc/86/94/06/343869406.db2.gz RBQUBILZIRVJIJ-GFCCVEGCSA-N 1 2 227.311 2.739 10 0 BFAELO C[NH2+][C@@H](c1cc(C)cc(F)c1)C(F)F ZINC000234466502 343971935 /nfs/dbraw/zinc/97/19/35/343971935.db2.gz GKNGZHAYPZHGFX-VIFPVBQESA-N 1 2 203.207 2.660 10 0 BFAELO CC(=O)c1ccc(-n2cc[nH+]c2)cc1Cl ZINC000070603097 343952900 /nfs/dbraw/zinc/95/29/00/343952900.db2.gz BMOHRIXYDWEXCK-UHFFFAOYSA-N 1 2 220.659 2.728 10 0 BFAELO CSc1nc2c(cnn2C2C[C@H]3C[C@H]3C2)c[nH+]1 ZINC000082048761 187281241 /nfs/dbraw/zinc/28/12/41/187281241.db2.gz QVPBTCKEINOJIM-JWHQNHQBSA-N 1 2 246.339 2.519 10 0 BFAELO Nc1cc[nH+]c(Oc2ccc(F)cc2)c1 ZINC000033294783 344157121 /nfs/dbraw/zinc/15/71/21/344157121.db2.gz WYHXLDSNCVUMJY-UHFFFAOYSA-N 1 2 204.204 2.595 10 0 BFAELO CC[C@@](C)(NC(=O)OC(C)(C)C)c1[nH]cc[nH+]1 ZINC000230367482 344546433 /nfs/dbraw/zinc/54/64/33/344546433.db2.gz VIOMXDZCWRZRMS-GFCCVEGCSA-N 1 2 239.319 2.560 10 0 BFAELO c1cn2c(cccc2NCc2ccccc2)[nH+]1 ZINC000127731724 344630121 /nfs/dbraw/zinc/63/01/21/344630121.db2.gz QEFLTQBJZORYQX-UHFFFAOYSA-N 1 2 223.279 2.946 10 0 BFAELO Cc1c[nH+]c(N)c(-c2ccccc2F)c1 ZINC000047203602 187293600 /nfs/dbraw/zinc/29/36/00/187293600.db2.gz XIAIPJRTSVVEST-UHFFFAOYSA-N 1 2 202.232 2.778 10 0 BFAELO Cc1cc[nH+]c(N[C@H]2C[C@H]2C)c1Br ZINC000235305489 344879838 /nfs/dbraw/zinc/87/98/38/344879838.db2.gz FESXEGAUKCVSLH-SFYZADRCSA-N 1 2 241.132 2.973 10 0 BFAELO C[C@@H](c1ccsc1)[N@@H+]1CCC(=O)[C@@H](C)C1 ZINC000061363673 344921596 /nfs/dbraw/zinc/92/15/96/344921596.db2.gz DCIMXMHXAQCIGA-UWVGGRQHSA-N 1 2 223.341 2.720 10 0 BFAELO C[C@@H](c1ccsc1)[N@H+]1CCC(=O)[C@@H](C)C1 ZINC000061363673 344921598 /nfs/dbraw/zinc/92/15/98/344921598.db2.gz DCIMXMHXAQCIGA-UWVGGRQHSA-N 1 2 223.341 2.720 10 0 BFAELO C[C@H]1[NH+]=C(Nc2ccccc2)S[C@@H]1C ZINC000238511079 345064773 /nfs/dbraw/zinc/06/47/73/345064773.db2.gz GFVQSVUITUGWNV-RKDXNWHRSA-N 1 2 206.314 2.978 10 0 BFAELO C[C@@H](Nc1ccnc(Cl)c1)c1[nH]cc[nH+]1 ZINC000229340287 345513479 /nfs/dbraw/zinc/51/34/79/345513479.db2.gz FZBTZCXFUVYMCZ-SSDOTTSWSA-N 1 2 222.679 2.631 10 0 BFAELO CNc1c2ccccc2[nH+]c2c1C(=O)CCC2 ZINC000034143707 345817946 /nfs/dbraw/zinc/81/79/46/345817946.db2.gz XSVDUOBBVOQJNN-UHFFFAOYSA-N 1 2 226.279 2.796 10 0 BFAELO C[C@@H]1CCCc2[nH+]c(-c3ccncc3)cn21 ZINC000258055939 345779822 /nfs/dbraw/zinc/77/98/22/345779822.db2.gz ANYLLNCIPBMFMD-SNVBAGLBSA-N 1 2 213.284 2.842 10 0 BFAELO C[C@@H]1CCc2[nH+]c(-c3ccncc3)cn2C1 ZINC000258378044 345783609 /nfs/dbraw/zinc/78/36/09/345783609.db2.gz MOFSCSUWERWBDJ-SNVBAGLBSA-N 1 2 213.284 2.527 10 0 BFAELO Nc1cccc2[nH+]c(-c3ccnc(Cl)c3)[nH]c21 ZINC000167353860 345788095 /nfs/dbraw/zinc/78/80/95/345788095.db2.gz SBYYJCHMCRLVJP-UHFFFAOYSA-N 1 2 244.685 2.861 10 0 BFAELO COc1ccc(CCCCn2cc[nH+]c2)cc1 ZINC000137721598 345849300 /nfs/dbraw/zinc/84/93/00/345849300.db2.gz JNPDAXCIEZHBAZ-UHFFFAOYSA-N 1 2 230.311 2.915 10 0 BFAELO c1[nH]cc(C[C@@H]2CCc3ccccc3C2)[nH+]1 ZINC000034481799 345835336 /nfs/dbraw/zinc/83/53/36/345835336.db2.gz KHWVTSPEKQKARQ-LLVKDONJSA-N 1 2 212.296 2.757 10 0 BFAELO c1[nH]c(C[C@@H]2CCc3ccccc3C2)c[nH+]1 ZINC000034481799 345835337 /nfs/dbraw/zinc/83/53/37/345835337.db2.gz KHWVTSPEKQKARQ-LLVKDONJSA-N 1 2 212.296 2.757 10 0 BFAELO CCSc1cc[nH+]c2cc(N)ccc21 ZINC000230760950 347097075 /nfs/dbraw/zinc/09/70/75/347097075.db2.gz DQJPUAFSXAPUFM-UHFFFAOYSA-N 1 2 204.298 2.929 10 0 BFAELO Cc1[nH+]c[nH]c1CNc1cccc(C)c1C ZINC000039415359 179147713 /nfs/dbraw/zinc/14/77/13/179147713.db2.gz WAAONFLVFZWSLD-UHFFFAOYSA-N 1 2 215.300 2.947 10 0 BFAELO Cc1cccc(Oc2cc(N)cc[nH+]2)c1 ZINC000043569403 179175879 /nfs/dbraw/zinc/17/58/79/179175879.db2.gz DKBFEURUKSXZRM-UHFFFAOYSA-N 1 2 200.241 2.765 10 0 BFAELO Cc1[nH+]c(-c2ccc(Cl)cc2)nc(N)c1C ZINC000050847275 179863149 /nfs/dbraw/zinc/86/31/49/179863149.db2.gz DUMPUVTYVNPPPO-UHFFFAOYSA-N 1 2 233.702 2.996 10 0 BFAELO Cc1[nH+]c2ccccc2n1[C@@H]1CCCC[C@@H]1O ZINC000037490614 180102600 /nfs/dbraw/zinc/10/26/00/180102600.db2.gz LRVBFAPDHDFBGX-KGLIPLIRSA-N 1 2 230.311 2.821 10 0 BFAELO Cc1[nH+]c2ccccc2n1Cc1ccccc1N ZINC000019391130 180103036 /nfs/dbraw/zinc/10/30/36/180103036.db2.gz MCNMRBBPKWANME-UHFFFAOYSA-N 1 2 237.306 2.975 10 0 BFAELO Cc1[nH+]c[nH]c1CNc1ccc(F)cc1F ZINC000054793853 180121926 /nfs/dbraw/zinc/12/19/26/180121926.db2.gz HWWFZFXNYSFEJR-UHFFFAOYSA-N 1 2 223.226 2.608 10 0 BFAELO Cc1[nH+]c[nH]c1CNc1cccc(F)c1F ZINC000054796966 180122061 /nfs/dbraw/zinc/12/20/61/180122061.db2.gz XLZKGVSFVOGBFR-UHFFFAOYSA-N 1 2 223.226 2.608 10 0 BFAELO Cc1[nH+]c[nH]c1CNc1ccc(F)c(F)c1 ZINC000054793774 180122512 /nfs/dbraw/zinc/12/25/12/180122512.db2.gz BIQTUUBQZHPURS-UHFFFAOYSA-N 1 2 223.226 2.608 10 0 BFAELO Cc1nc(NCc2cc3c(s2)CCC3)cc[nH+]1 ZINC000054936087 180201429 /nfs/dbraw/zinc/20/14/29/180201429.db2.gz XDXQQLNTXVZIDB-UHFFFAOYSA-N 1 2 245.351 2.947 10 0 BFAELO Nc1ccc(C(F)(F)F)cc1-c1[nH]cc[nH+]1 ZINC000725261081 538085734 /nfs/dbraw/zinc/08/57/34/538085734.db2.gz LPYZFXVNLGUREI-UHFFFAOYSA-N 1 2 227.189 2.678 10 0 BFAELO [NH3+]c1ccc2c(c1)C[C@H](O)[C@H](C1CCCCC1)N2 ZINC000725267436 538098405 /nfs/dbraw/zinc/09/84/05/538098405.db2.gz GXOTWGSVMLQDRV-GJZGRUSLSA-N 1 2 246.354 2.547 10 0 BFAELO Cc1csc([C@@H]2[NH2+][C@@H](C)CCS2)n1 ZINC000159621614 350955137 /nfs/dbraw/zinc/95/51/37/350955137.db2.gz SVOJUVBHTGDXOU-POYBYMJQSA-N 1 2 214.359 2.565 10 0 BFAELO CC[N@@H+]1CCOC[C@H]1c1ccc2ccccc2n1 ZINC000616641123 351147174 /nfs/dbraw/zinc/14/71/74/351147174.db2.gz ANEPVRJAWPGJKE-HNNXBMFYSA-N 1 2 242.322 2.628 10 0 BFAELO CC[N@H+]1CCOC[C@H]1c1ccc2ccccc2n1 ZINC000616641123 351147177 /nfs/dbraw/zinc/14/71/77/351147177.db2.gz ANEPVRJAWPGJKE-HNNXBMFYSA-N 1 2 242.322 2.628 10 0 BFAELO CCN1C[C@H](c2c[nH]c[nH+]2)Cc2ccccc21 ZINC000616669567 351229023 /nfs/dbraw/zinc/22/90/23/351229023.db2.gz GYTSZXPDBMVHBR-GFCCVEGCSA-N 1 2 227.311 2.576 10 0 BFAELO CCN1C[C@H](c2c[nH+]c[nH]2)Cc2ccccc21 ZINC000616669567 351229026 /nfs/dbraw/zinc/22/90/26/351229026.db2.gz GYTSZXPDBMVHBR-GFCCVEGCSA-N 1 2 227.311 2.576 10 0 BFAELO CN1C[C@H](Nc2cccc[nH+]2)Cc2ccccc21 ZINC000616669596 351229613 /nfs/dbraw/zinc/22/96/13/351229613.db2.gz HCDDXGHCQDEKIS-CYBMUJFWSA-N 1 2 239.322 2.555 10 0 BFAELO CC(C)N1c2ccccc2NC[C@H]1c1c[nH+]c[nH]1 ZINC000616687165 351259124 /nfs/dbraw/zinc/25/91/24/351259124.db2.gz WGUGNIFRPNMKEU-AWEZNQCLSA-N 1 2 242.326 2.791 10 0 BFAELO CC(C)N1c2ccccc2NC[C@H]1c1c[nH]c[nH+]1 ZINC000616687165 351259125 /nfs/dbraw/zinc/25/91/25/351259125.db2.gz WGUGNIFRPNMKEU-AWEZNQCLSA-N 1 2 242.326 2.791 10 0 BFAELO Nc1ccc([C@H]2CCc3ccccc3N2)c[nH+]1 ZINC000616668987 351228282 /nfs/dbraw/zinc/22/82/82/351228282.db2.gz KKMMFXOJDHYVDZ-CYBMUJFWSA-N 1 2 225.295 2.594 10 0 BFAELO O=C(C[NH+]1CCCC1)c1cccc(Cl)c1 ZINC000035021113 351384434 /nfs/dbraw/zinc/38/44/34/351384434.db2.gz VYJZQNTXDYEUKW-UHFFFAOYSA-N 1 2 223.703 2.619 10 0 BFAELO Cc1nc([C@H]([NH3+])c2ccc(Cl)o2)cs1 ZINC000307242795 351747944 /nfs/dbraw/zinc/74/79/44/351747944.db2.gz JNWYCTQPZGYQCQ-VIFPVBQESA-N 1 2 228.704 2.746 10 0 BFAELO CCC[C@@H]1CC(=O)C[N@@H+]1Cc1ccccc1 ZINC000725272558 538104397 /nfs/dbraw/zinc/10/43/97/538104397.db2.gz PTIXUQIBEZCNSX-CYBMUJFWSA-N 1 2 217.312 2.630 10 0 BFAELO CCC[C@@H]1CC(=O)C[N@H+]1Cc1ccccc1 ZINC000725272558 538104399 /nfs/dbraw/zinc/10/43/99/538104399.db2.gz PTIXUQIBEZCNSX-CYBMUJFWSA-N 1 2 217.312 2.630 10 0 BFAELO CC(F)(F)C[NH2+][C@@H]1CCc2ccsc21 ZINC000307447780 352603012 /nfs/dbraw/zinc/60/30/12/352603012.db2.gz JWNFAYGMARVNOH-MRVPVSSYSA-N 1 2 217.284 2.980 10 0 BFAELO CC(C)(C)c1cc(OC2CC2)c[nH+]c1N ZINC000095724380 187974586 /nfs/dbraw/zinc/97/45/86/187974586.db2.gz MIRNDLZQGYBUFJ-UHFFFAOYSA-N 1 2 206.289 2.503 10 0 BFAELO Cc1ncc([C@H]2[NH2+]CC[C@H](C)S2)s1 ZINC000307748933 353126099 /nfs/dbraw/zinc/12/60/99/353126099.db2.gz DUCMAJLUMXQEFN-RCOVLWMOSA-N 1 2 214.359 2.565 10 0 BFAELO Cc1ncc([C@@H]2[NH2+]CC[C@H](C)S2)s1 ZINC000307748931 353126360 /nfs/dbraw/zinc/12/63/60/353126360.db2.gz DUCMAJLUMXQEFN-IMTBSYHQSA-N 1 2 214.359 2.565 10 0 BFAELO CC(C)=CCNc1cc(N)cc(Cl)[nH+]1 ZINC000232638206 353150490 /nfs/dbraw/zinc/15/04/90/353150490.db2.gz VIOIUDXLSJZLAI-UHFFFAOYSA-N 1 2 211.696 2.695 10 0 BFAELO CCOc1cc(C)ccc1[NH2+]C[C@@H]1CCOC1 ZINC000037777918 188288321 /nfs/dbraw/zinc/28/83/21/188288321.db2.gz PAWPQAYWACALRZ-LBPRGKRZSA-N 1 2 235.327 2.842 10 0 BFAELO CCCOc1cccc2c(N)cc[nH+]c12 ZINC000050843684 188329283 /nfs/dbraw/zinc/32/92/83/188329283.db2.gz IXAMZJMHXXRAOU-UHFFFAOYSA-N 1 2 202.257 2.606 10 0 BFAELO C[C@H]1C[C@H]1Nc1cc[nH+]c(C(C)(C)C)n1 ZINC000301502594 188336914 /nfs/dbraw/zinc/33/69/14/188336914.db2.gz FODZZEODXPWHPP-DTWKUNHWSA-N 1 2 205.305 2.594 10 0 BFAELO CCc1c[nH+]c2c(Br)cccn12 ZINC000228025934 538820893 /nfs/dbraw/zinc/82/08/93/538820893.db2.gz RSCORQMCFDGHAQ-UHFFFAOYSA-N 1 2 225.089 2.659 10 0 BFAELO Cc1cnc([C@H](C)[NH2+]Cc2cnc(C)s2)o1 ZINC000230642922 357543324 /nfs/dbraw/zinc/54/33/24/357543324.db2.gz ZURSBSUOUIQSSV-QMMMGPOBSA-N 1 2 237.328 2.599 10 0 BFAELO Cc1cnc([C@H](C)[NH2+]Cc2ccc(C)cn2)o1 ZINC000231526481 357609291 /nfs/dbraw/zinc/60/92/91/357609291.db2.gz XSRCDUAVKOGGCS-NSHDSACASA-N 1 2 231.299 2.537 10 0 BFAELO Oc1ccc[n+](C[C@@H]2CCC3(CCCCC3)O2)c1 ZINC000191698979 357800583 /nfs/dbraw/zinc/80/05/83/357800583.db2.gz LGYZEKMNNWWIBK-AWEZNQCLSA-O 1 2 248.346 2.562 10 0 BFAELO Cc1c[nH+]c(CO)cc1CCCC1CC1 ZINC000584629346 358115742 /nfs/dbraw/zinc/11/57/42/358115742.db2.gz GPYXRGLRLRVFHE-UHFFFAOYSA-N 1 2 205.301 2.615 10 0 BFAELO C(CCOC1CCCCC1)CC[NH+]1CC1 ZINC000584591657 358249466 /nfs/dbraw/zinc/24/94/66/358249466.db2.gz CSTQSMZIFHDYHJ-UHFFFAOYSA-N 1 2 211.349 2.822 10 0 BFAELO c1ccc(N2CSCCCSC2)[nH+]c1 ZINC000584630734 358300797 /nfs/dbraw/zinc/30/07/97/358300797.db2.gz BDGOQSHOXWYNHM-UHFFFAOYSA-N 1 2 226.370 2.673 10 0 BFAELO Clc1cc(C[NH+]2CCC2)cc(Cl)n1 ZINC000306377666 359718387 /nfs/dbraw/zinc/71/83/87/359718387.db2.gz OJDZJRJWKYEHGP-UHFFFAOYSA-N 1 2 217.099 2.594 10 0 BFAELO Clc1sccc1[C@H]1[NH2+]CCS1 ZINC000306424494 359865556 /nfs/dbraw/zinc/86/55/56/359865556.db2.gz IKKPKLVFJKCCPZ-ZETCQYMHSA-N 1 2 205.735 2.737 10 0 BFAELO Cc1ccc([C@H](C)[NH2+]Cc2c[nH]cn2)cc1F ZINC000088255155 359943748 /nfs/dbraw/zinc/94/37/48/359943748.db2.gz RMHLIVNMKPSRTG-JTQLQIEISA-N 1 2 233.290 2.708 10 0 BFAELO COCc1cc(-c2c[nH+]c(N)c(C)c2)cs1 ZINC000629749597 361681423 /nfs/dbraw/zinc/68/14/23/361681423.db2.gz SHAUHPQYULTKOF-UHFFFAOYSA-N 1 2 234.324 2.677 10 0 BFAELO CCn1c[nH+]cc1CNc1cscc1C ZINC000387045085 368045273 /nfs/dbraw/zinc/04/52/73/368045273.db2.gz RUHGZUMPGZSJRA-UHFFFAOYSA-N 1 2 221.329 2.885 10 0 BFAELO CNc1cc(-c2cc(Cl)ccc2C)[nH+]c(N)n1 ZINC000223270048 368364447 /nfs/dbraw/zinc/36/44/47/368364447.db2.gz IIYRIMLOGGZCEY-UHFFFAOYSA-N 1 2 248.717 2.729 10 0 BFAELO COC1=CCc2c(c3cc[nH+]c(C)c3n2C)C1 ZINC000003624439 368875807 /nfs/dbraw/zinc/87/58/07/368875807.db2.gz CPANUUSZWDRNHZ-UHFFFAOYSA-N 1 2 228.295 2.511 10 0 BFAELO Cc1ccc([C@@H](C)[NH2+]Cc2nccnc2C)o1 ZINC000621326758 370258493 /nfs/dbraw/zinc/25/84/93/370258493.db2.gz SLNDYWWDCMCADV-LLVKDONJSA-N 1 2 231.299 2.537 10 0 BFAELO Clc1ccccc1OCc1[nH]cc[nH+]1 ZINC000031561015 372083200 /nfs/dbraw/zinc/08/32/00/372083200.db2.gz DJSXWJFTFYJWRC-UHFFFAOYSA-N 1 2 208.648 2.642 10 0 BFAELO Cn1c[nH+]cc1-c1ccccc1Br ZINC000140585222 372723519 /nfs/dbraw/zinc/72/35/19/372723519.db2.gz OJDBAXQJPWTAGN-UHFFFAOYSA-N 1 2 237.100 2.850 10 0 BFAELO CCCn1cc[nH+]c1[C@H]1CCCC(=O)C1 ZINC000070737466 374185346 /nfs/dbraw/zinc/18/53/46/374185346.db2.gz PRRYQPDHHOKAJZ-JTQLQIEISA-N 1 2 206.289 2.520 10 0 BFAELO O=Cc1ccc(-c2ccc3[nH+]ccn3c2)cc1 ZINC000034441232 182865618 /nfs/dbraw/zinc/86/56/18/182865618.db2.gz ZJDMTFFNXZTNQA-UHFFFAOYSA-N 1 2 222.247 2.814 10 0 BFAELO Cc1cnc([C@@H](C)[NH2+]Cc2ccsc2)o1 ZINC000220907607 134314970 /nfs/dbraw/zinc/31/49/70/134314970.db2.gz UYKIUHVQPYATHD-SECBINFHSA-N 1 2 222.313 2.895 10 0 BFAELO c1c[nH]c(CNc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000051788364 183357245 /nfs/dbraw/zinc/35/72/45/183357245.db2.gz JPRWKWJJDNAVHG-UHFFFAOYSA-N 1 2 238.294 2.813 10 0 BFAELO CCC[NH2+][C@H](C(=O)OCC)c1cc(C)ccc1C ZINC000049670787 169285353 /nfs/dbraw/zinc/28/53/53/169285353.db2.gz DPKKPHHOKANEDC-AWEZNQCLSA-N 1 2 249.354 2.907 10 0 BFAELO c1ccc(C2=[NH+]Cc3ccccc3N2)cc1 ZINC000000240843 183389716 /nfs/dbraw/zinc/38/97/16/183389716.db2.gz CQFYYVOZSJHVNV-UHFFFAOYSA-N 1 2 208.264 2.868 10 0 BFAELO c1[nH+]c2ccccn2c1[C@@H]1CCCCO1 ZINC000089200971 383943913 /nfs/dbraw/zinc/94/39/13/383943913.db2.gz BNJXWKZKIJTHEI-NSHDSACASA-N 1 2 202.257 2.576 10 0 BFAELO CNc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000038057300 384063175 /nfs/dbraw/zinc/06/31/75/384063175.db2.gz KEKFYZHXUCUTHP-UHFFFAOYSA-N 1 2 200.241 2.916 10 0 BFAELO C[C@@H]1CN(c2[nH+]cccc2N)c2ccccc21 ZINC000201415338 384097698 /nfs/dbraw/zinc/09/76/98/384097698.db2.gz WRBVDROFPWRYFD-SNVBAGLBSA-N 1 2 225.295 2.919 10 0 BFAELO c1csc(C[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)n1 ZINC000135191622 384422358 /nfs/dbraw/zinc/42/23/58/384422358.db2.gz ZARXLSDZEXIMBI-LLVKDONJSA-N 1 2 248.355 2.593 10 0 BFAELO c1csc(C[N@H+]2CCCC[C@@H]2c2cn[nH]c2)n1 ZINC000135191622 384422365 /nfs/dbraw/zinc/42/23/65/384422365.db2.gz ZARXLSDZEXIMBI-LLVKDONJSA-N 1 2 248.355 2.593 10 0 BFAELO CC[C@@H]1CS[C@H](c2csc(C)n2)[NH2+]1 ZINC000126796973 384475847 /nfs/dbraw/zinc/47/58/47/384475847.db2.gz SVMZCMFSVKRHRE-VXNVDRBHSA-N 1 2 214.359 2.565 10 0 BFAELO Cc1cc[nH+]c(NC[C@H](O)C(C)(C)C)c1Cl ZINC000309724271 384566283 /nfs/dbraw/zinc/56/62/83/384566283.db2.gz XGDAVFMAWRCSOR-VIFPVBQESA-N 1 2 242.750 2.862 10 0 BFAELO CCc1noc(C[NH2+][C@@H](C)c2cccs2)n1 ZINC000381643138 384628855 /nfs/dbraw/zinc/62/88/55/384628855.db2.gz AZZREQIQCYBHIG-QMMMGPOBSA-N 1 2 237.328 2.544 10 0 BFAELO CC/C=C/CC[N@@H+]1CCCC[C@@H]1c1nnc[nH]1 ZINC000184707367 384638755 /nfs/dbraw/zinc/63/87/55/384638755.db2.gz UPHMCFXFRKMFRN-AAOUONPWSA-N 1 2 234.347 2.688 10 0 BFAELO CC/C=C/CC[N@H+]1CCCC[C@@H]1c1nnc[nH]1 ZINC000184707367 384638761 /nfs/dbraw/zinc/63/87/61/384638761.db2.gz UPHMCFXFRKMFRN-AAOUONPWSA-N 1 2 234.347 2.688 10 0 BFAELO CC/C=C/CC[N@@H+]1CCCC[C@@H]1c1nc[nH]n1 ZINC000184707367 384638769 /nfs/dbraw/zinc/63/87/69/384638769.db2.gz UPHMCFXFRKMFRN-AAOUONPWSA-N 1 2 234.347 2.688 10 0 BFAELO CC/C=C/CC[N@H+]1CCCC[C@@H]1c1nc[nH]n1 ZINC000184707367 384638773 /nfs/dbraw/zinc/63/87/73/384638773.db2.gz UPHMCFXFRKMFRN-AAOUONPWSA-N 1 2 234.347 2.688 10 0 BFAELO CCC[C@@H]1C[C@H]1Nc1cc[nH+]c(C2CC2)n1 ZINC000301439554 384877710 /nfs/dbraw/zinc/87/77/10/384877710.db2.gz LVVZGEXCRUUMFB-GHMZBOCLSA-N 1 2 217.316 2.955 10 0 BFAELO Cc1nn(C)cc1[C@@H](C)Nc1ccc(C)[nH+]c1 ZINC000164631688 385024116 /nfs/dbraw/zinc/02/41/16/385024116.db2.gz XNPCUSBHKPMYNY-SNVBAGLBSA-N 1 2 230.315 2.605 10 0 BFAELO CC(C)c1nc(N2CCS[C@@H](C)C2)cc[nH+]1 ZINC000110541009 385494029 /nfs/dbraw/zinc/49/40/29/385494029.db2.gz ZTIALECXZTVLJV-JTQLQIEISA-N 1 2 237.372 2.542 10 0 BFAELO CCc1ccc([C@@H](C)[NH2+]Cc2nnc(C)o2)cc1 ZINC000181060559 385562894 /nfs/dbraw/zinc/56/28/94/385562894.db2.gz PALXJFZGTFPXFL-SNVBAGLBSA-N 1 2 245.326 2.791 10 0 BFAELO Cc1noc(C[NH2+][C@@H](C)c2ccccc2C)n1 ZINC000037980733 386109254 /nfs/dbraw/zinc/10/92/54/386109254.db2.gz WJFYEVCOFJJXPX-JTQLQIEISA-N 1 2 231.299 2.537 10 0 BFAELO CC[C@H]1C[C@H]1Nc1nc(C)[nH+]c2c1CCCC2 ZINC000302066598 386901626 /nfs/dbraw/zinc/90/16/26/386901626.db2.gz WHVKODBUHXPBTE-GXFFZTMASA-N 1 2 231.343 2.874 10 0 BFAELO Cc1cc(C[N@@H+]2CCC[C@@H]2c2ccco2)no1 ZINC000116288369 386929760 /nfs/dbraw/zinc/92/97/60/386929760.db2.gz KQNCWLVNMBXBRH-GFCCVEGCSA-N 1 2 232.283 2.913 10 0 BFAELO Cc1cc(C[N@H+]2CCC[C@@H]2c2ccco2)no1 ZINC000116288369 386929764 /nfs/dbraw/zinc/92/97/64/386929764.db2.gz KQNCWLVNMBXBRH-GFCCVEGCSA-N 1 2 232.283 2.913 10 0 BFAELO Cc1ccc([C@H]([NH3+])C(F)F)c(Cl)c1 ZINC000575563963 387705684 /nfs/dbraw/zinc/70/56/84/387705684.db2.gz XFTBELRDJOZMSZ-QMMMGPOBSA-N 1 2 205.635 2.913 10 0 BFAELO C[C@H](Nc1[nH+]c2ccccc2n1C)[C@@H]1CCCO1 ZINC000079044309 387939129 /nfs/dbraw/zinc/93/91/29/387939129.db2.gz WBITUJIUZGKACQ-GWCFXTLKSA-N 1 2 245.326 2.553 10 0 BFAELO C[C@@H]1CN2CCCC[C@@H]2C[N@@H+]1CC1=CCCC1 ZINC000645804912 387949164 /nfs/dbraw/zinc/94/91/64/387949164.db2.gz CEJQHROGGWZGBP-UKRRQHHQSA-N 1 2 234.387 2.655 10 0 BFAELO C[C@@H]1CN2CCCC[C@@H]2C[N@H+]1CC1=CCCC1 ZINC000645804912 387949166 /nfs/dbraw/zinc/94/91/66/387949166.db2.gz CEJQHROGGWZGBP-UKRRQHHQSA-N 1 2 234.387 2.655 10 0 BFAELO Cc1cc(N[C@H](C)C(C)C)nc(C2CC2)[nH+]1 ZINC000336662488 388260699 /nfs/dbraw/zinc/26/06/99/388260699.db2.gz KIKZEDSYBDSJMZ-SNVBAGLBSA-N 1 2 219.332 2.541 10 0 BFAELO CNc1cc(-c2cccc(C)c2Cl)[nH+]c(N)n1 ZINC000223256607 388584645 /nfs/dbraw/zinc/58/46/45/388584645.db2.gz QSFDSTLJQSSJQN-UHFFFAOYSA-N 1 2 248.717 2.729 10 0 BFAELO Cc1cc2ccccc2[nH+]c1NCC1CC(O)C1 ZINC000091525315 388765054 /nfs/dbraw/zinc/76/50/54/388765054.db2.gz GWNRIIZSXLRWML-UHFFFAOYSA-N 1 2 242.322 2.726 10 0 BFAELO Cc1cc(C)c([NH+]2CCCCC2)cc1N ZINC000075605163 132309075 /nfs/dbraw/zinc/30/90/75/132309075.db2.gz ZQMDUXIAMFHSLQ-UHFFFAOYSA-N 1 2 204.317 2.876 10 0 BFAELO CCCCOCCN1CCCc2cc([NH3+])ccc21 ZINC000049262580 132355922 /nfs/dbraw/zinc/35/59/22/132355922.db2.gz AIXUXZRSULKSHB-UHFFFAOYSA-N 1 2 248.370 2.838 10 0 BFAELO Cc1ccccc1CN1CCNc2ccc[nH+]c21 ZINC000049455873 132356100 /nfs/dbraw/zinc/35/61/00/132356100.db2.gz CQMZZHNSSASJCI-UHFFFAOYSA-N 1 2 239.322 2.822 10 0 BFAELO Nc1cc(CN2CCCc3ccccc32)cc[nH+]1 ZINC000052716987 132362481 /nfs/dbraw/zinc/36/24/81/132362481.db2.gz FKFDVVZQCPUCGH-UHFFFAOYSA-N 1 2 239.322 2.617 10 0 BFAELO CCC1(C)CCN(c2cccc(CO)[nH+]2)CC1 ZINC000062955390 132388761 /nfs/dbraw/zinc/38/87/61/132388761.db2.gz IIBRXLBXGZGXJG-UHFFFAOYSA-N 1 2 234.343 2.590 10 0 BFAELO COc1cccc(C[NH2+][C@@H](C)c2ncc(C)o2)c1 ZINC000220884092 134316351 /nfs/dbraw/zinc/31/63/51/134316351.db2.gz SAAXIODCGJFZCU-NSHDSACASA-N 1 2 246.310 2.842 10 0 BFAELO C[C@@H]1COC[C@H](C)[N@H+]1Cc1ccccc1Cl ZINC000077366801 135063156 /nfs/dbraw/zinc/06/31/56/135063156.db2.gz VWYJUPKIUKPGLX-PHIMTYICSA-N 1 2 239.746 2.949 10 0 BFAELO C[C@@H]1COC[C@H](C)[N@@H+]1Cc1ccccc1Cl ZINC000077366801 135063158 /nfs/dbraw/zinc/06/31/58/135063158.db2.gz VWYJUPKIUKPGLX-PHIMTYICSA-N 1 2 239.746 2.949 10 0 BFAELO Cc1nn(C)cc1[C@H](C)Nc1ccc(C)[nH+]c1 ZINC000164631560 397795104 /nfs/dbraw/zinc/79/51/04/397795104.db2.gz XNPCUSBHKPMYNY-JTQLQIEISA-N 1 2 230.315 2.605 10 0 BFAELO CC(C)[NH2+]Cc1noc(C[C@H](C)C(C)(C)C)n1 ZINC000104449059 167122988 /nfs/dbraw/zinc/12/29/88/167122988.db2.gz QZISJSDJNXEZFT-JTQLQIEISA-N 1 2 239.363 2.792 10 0 BFAELO CC(C)Oc1ccc(N)c2c[nH+]ccc12 ZINC000035333139 167295623 /nfs/dbraw/zinc/29/56/23/167295623.db2.gz HYQCKYUETLGDIB-UHFFFAOYSA-N 1 2 202.257 2.604 10 0 BFAELO CC(C)SCc1[nH]c2ccc(N)cc2[nH+]1 ZINC000037685519 167335468 /nfs/dbraw/zinc/33/54/68/167335468.db2.gz REMSYLYLWYLEPF-UHFFFAOYSA-N 1 2 221.329 2.787 10 0 BFAELO CC(C)c1ccc(OC2CC2)c(N(C)C)[nH+]1 ZINC000095721223 167609049 /nfs/dbraw/zinc/60/90/49/167609049.db2.gz QXKQLGBZWBWZAX-UHFFFAOYSA-N 1 2 220.316 2.812 10 0 BFAELO C[C@@H]1C[NH2+]C[C@@H]([NH2+][C@@H]2CCCc3ccccc32)C1 ZINC000401884592 411168329 /nfs/dbraw/zinc/16/83/29/411168329.db2.gz SHCYALFQCHZXNI-DUVNUKRYSA-N 1 2 244.382 2.652 10 0 BFAELO CCNc1cc(C2CC2)[nH+]c(C[C@H]2CCCO2)n1 ZINC000103955597 170171784 /nfs/dbraw/zinc/17/17/84/170171784.db2.gz WKVZBUPDGFXDRE-LLVKDONJSA-N 1 2 247.342 2.507 10 0 BFAELO CCOC(=[NH2+])[C@H](O)c1c(C)c(C)cc(C)c1C ZINC000211758905 170179854 /nfs/dbraw/zinc/17/98/54/170179854.db2.gz GWVJEBFQAGEFQC-CYBMUJFWSA-N 1 2 235.327 2.967 10 0 BFAELO CCOC(=O)[C@@H]([NH2+]CC(C)C)c1cccc(C)c1 ZINC000037966217 170255811 /nfs/dbraw/zinc/25/58/11/170255811.db2.gz AONQUMNJRHTEDF-AWEZNQCLSA-N 1 2 249.354 2.845 10 0 BFAELO CCOC(=O)[C@](C)([NH3+])c1ccc2ccccc2c1 ZINC000037514829 170283771 /nfs/dbraw/zinc/28/37/71/170283771.db2.gz LDOVPYQJUHKZJV-OAHLLOKOSA-N 1 2 243.306 2.577 10 0 BFAELO CCOc1ccc([NH2+]C[C@H]2CCOC2)c(C)c1 ZINC000037781711 170553126 /nfs/dbraw/zinc/55/31/26/170553126.db2.gz OGDRTCJOUNRMMU-GFCCVEGCSA-N 1 2 235.327 2.842 10 0 BFAELO CC[C@H](C)[N@H+](Cc1ncc[nH]1)Cc1ccncc1 ZINC000055120408 171316247 /nfs/dbraw/zinc/31/62/47/171316247.db2.gz IIEPKZDZJXZECY-LBPRGKRZSA-N 1 2 244.342 2.605 10 0 BFAELO CC[C@H](C)[N@@H+](Cc1ncc[nH]1)Cc1ccncc1 ZINC000055120408 171316248 /nfs/dbraw/zinc/31/62/48/171316248.db2.gz IIEPKZDZJXZECY-LBPRGKRZSA-N 1 2 244.342 2.605 10 0 BFAELO CC[C@H](C)[NH2+][C@@](C)(C(=O)OC)c1ccccc1C ZINC000038067093 171347241 /nfs/dbraw/zinc/34/72/41/171347241.db2.gz HQITZJUWWCZUAS-SWLSCSKDSA-N 1 2 249.354 2.771 10 0 BFAELO CC[C@H](C)[NH2+][C@](C)(C(=O)OC)c1ccccc1C ZINC000038067091 171348648 /nfs/dbraw/zinc/34/86/48/171348648.db2.gz HQITZJUWWCZUAS-WFASDCNBSA-N 1 2 249.354 2.771 10 0 BFAELO CCc1nc2ccn3cc[nH+]c3c2cc1C ZINC000039101546 172013713 /nfs/dbraw/zinc/01/37/13/172013713.db2.gz MCDCXRSKCMRBQW-UHFFFAOYSA-N 1 2 211.268 2.753 10 0 BFAELO CCc1nnc(C[N@@H+]2CCC[C@H]2c2ccco2)o1 ZINC000116293894 172049787 /nfs/dbraw/zinc/04/97/87/172049787.db2.gz YETVGYRGAAVUSX-JTQLQIEISA-N 1 2 247.298 2.562 10 0 BFAELO CCc1nnc(C[N@H+]2CCC[C@H]2c2ccco2)o1 ZINC000116293894 172049789 /nfs/dbraw/zinc/04/97/89/172049789.db2.gz YETVGYRGAAVUSX-JTQLQIEISA-N 1 2 247.298 2.562 10 0 BFAELO CCn1cc([C@H](C)Nc2ccc[nH+]c2C)cn1 ZINC000091496118 172199056 /nfs/dbraw/zinc/19/90/56/172199056.db2.gz PRJLMFDNYOJBAA-JTQLQIEISA-N 1 2 230.315 2.780 10 0 BFAELO CCn1cc[nH+]c1CSc1ccccc1N ZINC000054743633 172226820 /nfs/dbraw/zinc/22/68/20/172226820.db2.gz BSWUHYHQYHQFQR-UHFFFAOYSA-N 1 2 233.340 2.778 10 0 BFAELO C[N@@H+]1C[C@H](c2cccc(O)c2)O[C@H]1C(C)(C)C ZINC000000003796 173196173 /nfs/dbraw/zinc/19/61/73/173196173.db2.gz ORIOFGXXYYXLNY-OLZOCXBDSA-N 1 2 235.327 2.768 10 0 in-man BFAELO C[N@H+]1C[C@H](c2cccc(O)c2)O[C@H]1C(C)(C)C ZINC000000003796 173196177 /nfs/dbraw/zinc/19/61/77/173196177.db2.gz ORIOFGXXYYXLNY-OLZOCXBDSA-N 1 2 235.327 2.768 10 0 in-man BFAELO C[NH2+]CC(=O)OCc1ccc(C(C)(C)C)cc1C ZINC000077429173 173335028 /nfs/dbraw/zinc/33/50/28/173335028.db2.gz SKPWAQLGBHMWQS-UHFFFAOYSA-N 1 2 249.354 2.555 10 0 BFAELO COC(=O)[C@@H]([NH2+]CC1CC1)c1cc(C)ccc1C ZINC000049670933 173710137 /nfs/dbraw/zinc/71/01/37/173710137.db2.gz FTYWEZIDYSARHC-AWEZNQCLSA-N 1 2 247.338 2.517 10 0 BFAELO COc1cc(OC)c2c(c1Cl)CCC[NH2+]2 ZINC000019259306 175009413 /nfs/dbraw/zinc/00/94/13/175009413.db2.gz NQIDBKRYAMXDAA-UHFFFAOYSA-N 1 2 227.691 2.715 10 0 BFAELO COc1ccc(-c2c[nH]c[nH+]2)cc1Cl ZINC000041218144 175037061 /nfs/dbraw/zinc/03/70/61/175037061.db2.gz ZMBLISUBWVPKEX-UHFFFAOYSA-N 1 2 208.648 2.739 10 0 BFAELO COc1ccc([NH2+]C[C@H]2CCCOC2)cc1C ZINC000104317283 175152053 /nfs/dbraw/zinc/15/20/53/175152053.db2.gz ONAMAZCAIGLYQZ-GFCCVEGCSA-N 1 2 235.327 2.842 10 0 BFAELO COc1ccccc1-c1[nH]c2ccc(N)cc2[nH+]1 ZINC000019504213 175310850 /nfs/dbraw/zinc/31/08/50/175310850.db2.gz YGLZACGZMPPARM-UHFFFAOYSA-N 1 2 239.278 2.821 10 0 BFAELO C[C@@H](c1cccnc1)[N@H+]1[C@@H]2CCC[C@H]1CC(=O)C2 ZINC000054600984 176030046 /nfs/dbraw/zinc/03/00/46/176030046.db2.gz GJVCZAPARNDPKM-FPMFFAJLSA-N 1 2 244.338 2.729 10 0 BFAELO C[C@@H](c1cccnc1)[N@@H+]1[C@@H]2CCC[C@H]1CC(=O)C2 ZINC000054600984 176030047 /nfs/dbraw/zinc/03/00/47/176030047.db2.gz GJVCZAPARNDPKM-FPMFFAJLSA-N 1 2 244.338 2.729 10 0 BFAELO C[C@@H]1CCn2cc(-c3cccc(N)c3)[nH+]c2C1 ZINC000049820878 176240916 /nfs/dbraw/zinc/24/09/16/176240916.db2.gz KKSUXRBRWCEWTA-SNVBAGLBSA-N 1 2 227.311 2.715 10 0 BFAELO C[C@@H]1COC[C@@H](C)[NH+]1Cc1ccc(Cl)cc1 ZINC000120931244 176346921 /nfs/dbraw/zinc/34/69/21/176346921.db2.gz CSBGGRCPKJMVDF-GHMZBOCLSA-N 1 2 239.746 2.949 10 0 BFAELO C[C@@H]([NH2+][C@@H](C)c1cc[nH]n1)c1ccccc1F ZINC000037908378 176914433 /nfs/dbraw/zinc/91/44/33/176914433.db2.gz NCBAAIWSFFBUNG-ZJUUUORDSA-N 1 2 233.290 2.961 10 0 BFAELO C[C@H](Oc1cc(N)cc[nH+]1)c1ccccc1 ZINC000043569504 177022284 /nfs/dbraw/zinc/02/22/84/177022284.db2.gz LFVJOOPEXGGBJU-JTQLQIEISA-N 1 2 214.268 2.804 10 0 BFAELO C[C@H](c1ccco1)n1c(N)[nH+]c2c1cccc2F ZINC000037421515 177048722 /nfs/dbraw/zinc/04/87/22/177048722.db2.gz DABYZAHRGHBQKZ-MRVPVSSYSA-N 1 2 245.257 2.960 10 0 BFAELO C[C@H]1CCCC[C@@H]1N(C)c1cccc(CO)[nH+]1 ZINC000051042214 177082116 /nfs/dbraw/zinc/08/21/16/177082116.db2.gz OMASSKKSCJRDIV-AAEUAGOBSA-N 1 2 234.343 2.589 10 0 BFAELO C[C@H]1CCC[C@H](OC(=O)[C@@H]([NH3+])c2ccccc2)C1 ZINC000135069546 177138622 /nfs/dbraw/zinc/13/86/22/177138622.db2.gz MWBHMEYKNXYWCN-UBHSHLNASA-N 1 2 247.338 2.808 10 0 BFAELO C[C@H]1CCC[C@H](Oc2cc[nH+]cc2N)C1 ZINC000020507206 177138884 /nfs/dbraw/zinc/13/88/84/177138884.db2.gz SDFDXPASFVCIGQ-UWVGGRQHSA-N 1 2 206.289 2.621 10 0 BFAELO C[C@@H]1C[C@H](C)C(=O)[C@@H](C)[N@@H+]1Cc1ccccc1 ZINC000068592853 177319308 /nfs/dbraw/zinc/31/93/08/177319308.db2.gz CZWYZABAEYBOPQ-YNEHKIRRSA-N 1 2 231.339 2.875 10 0 BFAELO C[C@@H]1C[C@H](C)C(=O)[C@@H](C)[N@H+]1Cc1ccccc1 ZINC000068592853 177319310 /nfs/dbraw/zinc/31/93/10/177319310.db2.gz CZWYZABAEYBOPQ-YNEHKIRRSA-N 1 2 231.339 2.875 10 0 BFAELO CC[C@H]([NH2+][C@H](C)c1ccc(C)cc1C)C(=O)OC ZINC000134965581 325384843 /nfs/dbraw/zinc/38/48/43/325384843.db2.gz NFCLHPKHELDROR-OCCSQVGLSA-N 1 2 249.354 2.906 10 0 BFAELO C[C@@H]([NH2+]Cc1ccno1)c1cc(F)ccc1F ZINC000223646687 491137946 /nfs/dbraw/zinc/13/79/46/491137946.db2.gz PBLGGQJICBCQEX-MRVPVSSYSA-N 1 2 238.237 2.804 10 0 BFAELO CCOCCC[NH2+]c1ccc2c(c1)CCN2C ZINC000757125451 582499768 /nfs/dbraw/zinc/49/97/68/582499768.db2.gz DPMPKBAXRVLWFC-UHFFFAOYSA-N 1 2 234.343 2.517 10 0 BFAELO CC[C@@H]([NH3+])c1cc(Cl)c(O)cc1F ZINC000757133676 582509885 /nfs/dbraw/zinc/50/98/85/582509885.db2.gz VHQVHWLGKFEOGF-MRVPVSSYSA-N 1 2 203.644 2.595 10 0 BFAELO C[N@@H+]1CCc2cc(NCC(F)(F)F)ccc21 ZINC000757133801 582510679 /nfs/dbraw/zinc/51/06/79/582510679.db2.gz UNAUCIHRHXJJGJ-UHFFFAOYSA-N 1 2 230.233 2.653 10 0 BFAELO C[N@H+]1CCc2cc(NCC(F)(F)F)ccc21 ZINC000757133801 582510680 /nfs/dbraw/zinc/51/06/80/582510680.db2.gz UNAUCIHRHXJJGJ-UHFFFAOYSA-N 1 2 230.233 2.653 10 0 BFAELO CC(C)(C)c1ccc(N)c(-c2[nH]cc[nH+]2)c1 ZINC000725260985 566308054 /nfs/dbraw/zinc/30/80/54/566308054.db2.gz CTNGICDHIOEOFV-UHFFFAOYSA-N 1 2 215.300 2.956 10 0 BFAELO CC(C)C1CCC2(CC1)[NH2+]CC(F)(F)CO2 ZINC000757142496 582522994 /nfs/dbraw/zinc/52/29/94/582522994.db2.gz DCGFCRMNDBAZER-UHFFFAOYSA-N 1 2 233.302 2.784 10 0 BFAELO CC(C)n1cc[nH+]c1-c1cccc(N)c1 ZINC000037471399 582674935 /nfs/dbraw/zinc/67/49/35/582674935.db2.gz JOUAXBQBBSSOJY-UHFFFAOYSA-N 1 2 201.273 2.713 10 0 BFAELO CC(C)n1cc[nH+]c1-c1ccc(N)cc1 ZINC000037974181 582675326 /nfs/dbraw/zinc/67/53/26/582675326.db2.gz DZCGEHGYGHXQED-UHFFFAOYSA-N 1 2 201.273 2.713 10 0 BFAELO c1ccc2c(c1)[nH+]c1n2[C@@H](C2CC2)CCN1 ZINC000232450278 585031094 /nfs/dbraw/zinc/03/10/94/585031094.db2.gz PUUGBOUUWVVFLB-LLVKDONJSA-N 1 2 213.284 2.803 10 0 BFAELO CCNc1[nH+]c([C@H](C)CC)nc2[nH]ccc21 ZINC000757567138 586305983 /nfs/dbraw/zinc/30/59/83/586305983.db2.gz MCLFJBWAXFDLHU-MRVPVSSYSA-N 1 2 218.304 2.855 10 0 BFAELO CC(C)Cc1nc2[nH]ccc2c(NC(C)C)[nH+]1 ZINC000757566170 586306289 /nfs/dbraw/zinc/30/62/89/586306289.db2.gz LADIRPQQPTXIAL-UHFFFAOYSA-N 1 2 232.331 2.977 10 0 BFAELO Cc1cc(CN2CCCC[NH2+]2)ccc1Cl ZINC000757154000 586429283 /nfs/dbraw/zinc/42/92/83/586429283.db2.gz UGFWBEJEQQYMKC-UHFFFAOYSA-N 1 2 224.735 2.749 10 0 BFAELO CC(C)[C@@H]1CCC[C@]2(C1)[NH2+]CC(F)(F)CO2 ZINC000757152839 586429353 /nfs/dbraw/zinc/42/93/53/586429353.db2.gz UELWAWUJLMUROH-PWSUYJOCSA-N 1 2 233.302 2.784 10 0 BFAELO O=Cc1ccccc1-n1cc[nH+]c1C1CC1 ZINC000212444021 591404619 /nfs/dbraw/zinc/40/46/19/591404619.db2.gz ZLURWRFIZCHIGL-UHFFFAOYSA-N 1 2 212.252 2.562 10 0 BFAELO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2cn(C)cn2)o1 ZINC000710012148 712240910 /nfs/dbraw/zinc/24/09/10/712240910.db2.gz GHMQLSNLBCDSRP-QWRGUYRKSA-N 1 2 233.315 2.733 10 0 BFAELO Cc1c[nH+]cc(N[C@@H]2CCC[C@H]3C[C@H]32)c1 ZINC000378722675 346813563 /nfs/dbraw/zinc/81/35/63/346813563.db2.gz HBAAIAQCBIWWKM-CYZMBNFOSA-N 1 2 202.301 2.991 10 0 BFAELO Cc1cc([NH3+])ccc1N(C)Cc1cscn1 ZINC000042860250 178105535 /nfs/dbraw/zinc/10/55/35/178105535.db2.gz SAVBBHZHIGDHNR-UHFFFAOYSA-N 1 2 233.340 2.670 10 0 BFAELO Cc1cc([NH3+])ccc1N[C@H](CO)c1ccccc1 ZINC000063000895 178107038 /nfs/dbraw/zinc/10/70/38/178107038.db2.gz BRCSXAWDVVRNGZ-OAHLLOKOSA-N 1 2 242.322 2.723 10 0 BFAELO Cc1cc(N)nc(Cc2cccc(Cl)c2)[nH+]1 ZINC000050845097 178108758 /nfs/dbraw/zinc/10/87/58/178108758.db2.gz HQGLJKPKSOJGNF-UHFFFAOYSA-N 1 2 233.702 2.611 10 0 BFAELO Cc1cc(N)nc(C2(c3ccccc3)CCC2)[nH+]1 ZINC000062782113 178108985 /nfs/dbraw/zinc/10/89/85/178108985.db2.gz IXVRGBOTVKYXJS-UHFFFAOYSA-N 1 2 239.322 2.837 10 0 BFAELO Cc1cc([NH2+]CCc2ccco2)ccc1N ZINC000042587094 178163206 /nfs/dbraw/zinc/16/32/06/178163206.db2.gz RKQXBOWBELSRQP-UHFFFAOYSA-N 1 2 216.284 2.825 10 0 BFAELO Cc1cc(OC2CC2)c(C(F)(F)F)c[nH+]1 ZINC000095723812 178208937 /nfs/dbraw/zinc/20/89/37/178208937.db2.gz YLPRDXYLGAARPS-UHFFFAOYSA-N 1 2 217.190 2.950 10 0 BFAELO Cc1cc2[nH+]cnc(N3CCCCCC3)c2[nH]1 ZINC000096033000 178305351 /nfs/dbraw/zinc/30/53/51/178305351.db2.gz YZKJTDQHTBQQOR-UHFFFAOYSA-N 1 2 230.315 2.647 10 0 BFAELO Cc1ccc(-c2cn3cc(N)ccc3[nH+]2)cc1 ZINC000019953403 178327941 /nfs/dbraw/zinc/32/79/41/178327941.db2.gz SJMHCTRASITOPZ-UHFFFAOYSA-N 1 2 223.279 2.892 10 0 BFAELO Cc1ccc(C2=NC(=S)SC2[NH3+])cc1 ZINC000020268782 178335178 /nfs/dbraw/zinc/33/51/78/178335178.db2.gz FPMGKHSQIBGLFI-UHFFFAOYSA-N 1 2 222.338 2.989 10 0 BFAELO Nc1ccc2[nH+]c(-c3ccccc3)cn2c1 ZINC000000337733 342683916 /nfs/dbraw/zinc/68/39/16/342683916.db2.gz PHDDXHPPDILYKP-UHFFFAOYSA-N 1 2 209.252 2.584 10 0 BFAELO C=C(c1cc(C)cc(C)c1O)n1cc[nH+]c1 ZINC000215920601 342694359 /nfs/dbraw/zinc/69/43/59/342694359.db2.gz BWOBQOPNZSWMRX-UHFFFAOYSA-N 1 2 214.268 2.725 10 0 BFAELO CC(F)(F)[C@@H]([NH3+])c1ccccc1Cl ZINC000214681548 342770045 /nfs/dbraw/zinc/77/00/45/342770045.db2.gz QOZFGDJKPZKDAL-QMMMGPOBSA-N 1 2 205.635 2.995 10 0 BFAELO Nc1cc(C=O)[nH+]c(-c2ccc(Cl)cc2)c1 ZINC000149538126 342794241 /nfs/dbraw/zinc/79/42/41/342794241.db2.gz CIQBJLBCGOBREN-UHFFFAOYSA-N 1 2 232.670 2.797 10 0 BFAELO CNc1c(N)c[nH+]c2c(Cl)ccc(Cl)c12 ZINC000584882908 343085456 /nfs/dbraw/zinc/08/54/56/343085456.db2.gz ZPVJNEJWZFEJAZ-UHFFFAOYSA-N 1 2 242.109 2.587 10 0 BFAELO Cc1[nH+]c(C2CC2)cc(C2CC2)c1CO ZINC000584883162 343085776 /nfs/dbraw/zinc/08/57/76/343085776.db2.gz DGEVQRIJSDYGEZ-UHFFFAOYSA-N 1 2 203.285 2.637 10 0 BFAELO [NH3+][C@H](c1ccco1)c1ccc(Br)o1 ZINC000043606767 343263941 /nfs/dbraw/zinc/26/39/41/343263941.db2.gz XEJFVMZBQGDAAB-SECBINFHSA-N 1 2 242.072 2.683 10 0 BFAELO CCOP(=O)(OCC)C([N+]#N)=C(C)O ZINC000139160412 343277744 /nfs/dbraw/zinc/27/77/44/343277744.db2.gz POWMKQRQDNARSN-UHFFFAOYSA-O 1 2 221.173 2.853 10 0 BFAELO CCc1[nH+]c(CC(=O)c2ccccc2)[nH]c1C ZINC000039102759 343384377 /nfs/dbraw/zinc/38/43/77/343384377.db2.gz RXEXAEIBFAKXHE-UHFFFAOYSA-N 1 2 228.295 2.706 10 0 BFAELO CCc1[nH]c(CC(=O)c2ccccc2)[nH+]c1C ZINC000039102759 343384378 /nfs/dbraw/zinc/38/43/78/343384378.db2.gz RXEXAEIBFAKXHE-UHFFFAOYSA-N 1 2 228.295 2.706 10 0 BFAELO CCc1cn2cc(Br)ccc2[nH+]1 ZINC000059864941 343713724 /nfs/dbraw/zinc/71/37/24/343713724.db2.gz KKDHKEBAONQCSZ-UHFFFAOYSA-N 1 2 225.089 2.659 10 0 BFAELO CNc1[nH+]cccc1CN1CCc2ccccc21 ZINC000052709606 187271445 /nfs/dbraw/zinc/27/14/45/187271445.db2.gz AFWNRAFRLUJHCC-UHFFFAOYSA-N 1 2 239.322 2.686 10 0 BFAELO Cc1ccc2[nH+]c(-c3ccncc3)cn2c1 ZINC000042769032 343780363 /nfs/dbraw/zinc/78/03/63/343780363.db2.gz ZJVQCQWYHKXFKV-UHFFFAOYSA-N 1 2 209.252 2.705 10 0 BFAELO CC[C@H]1CS[C@H](c2ncc(Cl)s2)[NH2+]1 ZINC000223220548 344390026 /nfs/dbraw/zinc/39/00/26/344390026.db2.gz QLNOTCDMCCNTKH-YLWLKBPMSA-N 1 2 234.777 2.910 10 0 BFAELO CC[C@](C)(NC(=O)OC(C)(C)C)c1[nH]cc[nH+]1 ZINC000230367484 344546428 /nfs/dbraw/zinc/54/64/28/344546428.db2.gz VIOMXDZCWRZRMS-LBPRGKRZSA-N 1 2 239.319 2.560 10 0 BFAELO Oc1ccc([NH2+]C[C@@H]2CCSC2)cc1 ZINC000224370097 344904574 /nfs/dbraw/zinc/90/45/74/344904574.db2.gz JXGYSGINDRIAQX-VIFPVBQESA-N 1 2 209.314 2.557 10 0 BFAELO CO[C@@H]1CCC[C@@H](Nc2c[nH+]ccc2C)C1 ZINC000234781766 537874062 /nfs/dbraw/zinc/87/40/62/537874062.db2.gz IGFSSKPNIPGBAT-VXGBXAGGSA-N 1 2 220.316 2.760 10 0 BFAELO Cc1cc(N[C@H]2CCc3ccccc32)nc[nH+]1 ZINC000114583279 345675186 /nfs/dbraw/zinc/67/51/86/345675186.db2.gz VGCXOVAJGYVZST-ZDUSSCGKSA-N 1 2 225.295 2.884 10 0 BFAELO CN(C)C1=[NH+][C@H]2c3cccc4cccc(c34)[C@@H]2O1 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/nfs/dbraw/zinc/29/43/17/179294317.db2.gz YMSXAVFBCGBKAA-UHFFFAOYSA-N 1 2 213.284 2.740 10 0 BFAELO Cc1ccccc1Oc1cc[nH+]cc1N ZINC000020370627 179314091 /nfs/dbraw/zinc/31/40/91/179314091.db2.gz OEISIYDCCXQQBP-UHFFFAOYSA-N 1 2 200.241 2.765 10 0 BFAELO Cc1[nH+]c2cc(Br)cc3c2n1CC3 ZINC000082587485 180076545 /nfs/dbraw/zinc/07/65/45/180076545.db2.gz HXDLZTQPUBKNRI-UHFFFAOYSA-N 1 2 237.100 2.663 10 0 BFAELO Cc1[nH+]c2n(c1Br)CC[C@@H](C)C2 ZINC000049821308 180108366 /nfs/dbraw/zinc/10/83/66/180108366.db2.gz JSPPCXRGOWCEOI-ZCFIWIBFSA-N 1 2 229.121 2.536 10 0 BFAELO Cc1[nH+]c2ccccc2n1Cc1cccnc1 ZINC000075973022 180104031 /nfs/dbraw/zinc/10/40/31/180104031.db2.gz VIBFFVVQODTKQU-UHFFFAOYSA-N 1 2 223.279 2.788 10 0 BFAELO Cc1[nH+]c[nH]c1CNc1cc(F)cc(F)c1 ZINC000054793891 180121181 /nfs/dbraw/zinc/12/11/81/180121181.db2.gz OVZACVQTAHMQGD-UHFFFAOYSA-N 1 2 223.226 2.608 10 0 BFAELO Cc1ncc(CSc2ccc(N)[nH+]c2)s1 ZINC000062336804 180161604 /nfs/dbraw/zinc/16/16/04/180161604.db2.gz 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211.227 2.745 10 0 BFAELO CC(C)N1C[C@@H](c2c[nH]c[nH+]2)Cc2ccccc21 ZINC000616674390 351238749 /nfs/dbraw/zinc/23/87/49/351238749.db2.gz ZXBASTVMGQUTEV-ZDUSSCGKSA-N 1 2 241.338 2.964 10 0 BFAELO CC(C)N1C[C@@H](c2c[nH+]c[nH]2)Cc2ccccc21 ZINC000616674390 351238751 /nfs/dbraw/zinc/23/87/51/351238751.db2.gz ZXBASTVMGQUTEV-ZDUSSCGKSA-N 1 2 241.338 2.964 10 0 BFAELO Nc1cc([C@H]2CCc3ccccc3N2)cc[nH+]1 ZINC000616668009 351225966 /nfs/dbraw/zinc/22/59/66/351225966.db2.gz CICKMCOBUFYIMX-CYBMUJFWSA-N 1 2 225.295 2.594 10 0 BFAELO Cc1nc([C@H](C)[NH2+]Cc2ccns2)cs1 ZINC000404325861 351376168 /nfs/dbraw/zinc/37/61/68/351376168.db2.gz MLNHVBTYPROVLJ-ZETCQYMHSA-N 1 2 239.369 2.759 10 0 BFAELO Cc1cc([C@H]2[NH2+][C@@H](C)CCS2)sn1 ZINC000404439525 351450143 /nfs/dbraw/zinc/45/01/43/351450143.db2.gz ITCJOCNKIKGBRV-RCOVLWMOSA-N 1 2 214.359 2.565 10 0 BFAELO CCn1c[nH+]c([C@H]2CCCCCC2=O)c1 ZINC000307415498 352589730 /nfs/dbraw/zinc/58/97/30/352589730.db2.gz JXGBIXYJHYHOER-SNVBAGLBSA-N 1 2 206.289 2.520 10 0 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CCS[C@H]1CC[C@@H](Nc2cc(C)[nH+]cn2)C1 ZINC000230922210 353548903 /nfs/dbraw/zinc/54/89/03/353548903.db2.gz AMTDISCETREWRT-MNOVXSKESA-N 1 2 237.372 2.871 10 0 BFAELO CCS[C@@H]1CC[C@H](Nc2cc(C)[nH+]cn2)C1 ZINC000230922214 353548947 /nfs/dbraw/zinc/54/89/47/353548947.db2.gz AMTDISCETREWRT-WDEREUQCSA-N 1 2 237.372 2.871 10 0 BFAELO Cc1cc2[nH]c(CCCCCO)[nH+]c2c(C)c1 ZINC000026462254 357136252 /nfs/dbraw/zinc/13/62/52/357136252.db2.gz ASNHSVILNMDUAA-UHFFFAOYSA-N 1 2 232.327 2.885 10 0 BFAELO COc1ccc([C@H](C)n2cc[nH+]c2)cc1 ZINC000584612816 358276486 /nfs/dbraw/zinc/27/64/86/358276486.db2.gz OZESYXGIZQXWFW-JTQLQIEISA-N 1 2 202.257 2.501 10 0 BFAELO CCOc1cc2c(cc1OCC)C[C@H](C)[NH+]=C2 ZINC000584606427 358265787 /nfs/dbraw/zinc/26/57/87/358265787.db2.gz PKOZWYZWWAAXER-JTQLQIEISA-N 1 2 233.311 2.848 10 0 BFAELO COc1cccc(/C=C\n2cc[nH+]c2)c1 ZINC000584611066 358275005 /nfs/dbraw/zinc/27/50/05/358275005.db2.gz NJTHIGODPIKDBC-ALCCZGGFSA-N 1 2 200.241 2.520 10 0 BFAELO FC(F)(F)C(F)(F)CNc1cccc[nH+]1 ZINC000584628622 358298088 /nfs/dbraw/zinc/29/80/88/358298088.db2.gz OSMJZSVQLFGEME-UHFFFAOYSA-N 1 2 226.148 2.691 10 0 BFAELO CCOC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(C)c(C)c1 ZINC000049367567 358684266 /nfs/dbraw/zinc/68/42/66/358684266.db2.gz HTICBOJKDSXIFX-QWHCGFSZSA-N 1 2 249.354 2.906 10 0 BFAELO CC[C@@](C)(CCO)Nc1cc[nH+]c(C(C)C)n1 ZINC000131839846 358696672 /nfs/dbraw/zinc/69/66/72/358696672.db2.gz VGDGQWOMBBDETF-ZDUSSCGKSA-N 1 2 237.347 2.563 10 0 BFAELO C[C@H](Nc1cccc[nH+]1)c1cncc(F)c1 ZINC000134146862 358781815 /nfs/dbraw/zinc/78/18/15/358781815.db2.gz BZKUQCYKKLZSLF-VIFPVBQESA-N 1 2 217.247 2.789 10 0 BFAELO Cc1cc[nH+]cc1N[C@@H](C)c1ccccn1 ZINC000070957873 359067734 /nfs/dbraw/zinc/06/77/34/359067734.db2.gz WOQXNMYVWOGFPO-NSHDSACASA-N 1 2 213.284 2.958 10 0 BFAELO Cc1ccc(C[NH+]2[C@H](C)COC[C@H]2C)cc1F ZINC000093607504 360264732 /nfs/dbraw/zinc/26/47/32/360264732.db2.gz HZIZBGPHOKFJOR-VXGBXAGGSA-N 1 2 237.318 2.743 10 0 BFAELO NC(=S)c1cc(NCC2CCCCC2)cc[nH+]1 ZINC000061812504 181320253 /nfs/dbraw/zinc/32/02/53/181320253.db2.gz NHVZVZDDKJBFGZ-UHFFFAOYSA-N 1 2 249.383 2.708 10 0 BFAELO C[C@@H]1[NH+]=C(Nc2ccccc2)S[C@H]1C ZINC000238432914 361050413 /nfs/dbraw/zinc/05/04/13/361050413.db2.gz GFVQSVUITUGWNV-IUCAKERBSA-N 1 2 206.314 2.978 10 0 BFAELO Cc1c[nH]c(-c2c(N)cccc2Cl)[nH+]1 ZINC000070650506 361696623 /nfs/dbraw/zinc/69/66/23/361696623.db2.gz ROFUOUPXUNVWBO-UHFFFAOYSA-N 1 2 207.664 2.621 10 0 BFAELO C[C@H]([NH2+]Cc1cnc[nH]1)c1cc(F)ccc1F ZINC000054764189 541515442 /nfs/dbraw/zinc/51/54/42/541515442.db2.gz QYFAFHFPOAKKNL-QMMMGPOBSA-N 1 2 237.253 2.539 10 0 BFAELO Cc1ccc2c(c1)OCC=C2c1[nH]cc[nH+]1 ZINC000114548880 368943870 /nfs/dbraw/zinc/94/38/70/368943870.db2.gz BYNZIIRORWRBCY-UHFFFAOYSA-N 1 2 212.252 2.542 10 0 BFAELO Cc1c[nH+]c(Cc2c(C)cccc2C)[nH]1 ZINC000114916486 368957728 /nfs/dbraw/zinc/95/77/28/368957728.db2.gz PDRKMMODSVCOIK-UHFFFAOYSA-N 1 2 200.285 2.926 10 0 BFAELO CC(C)N1c2ccccc2NC[C@@H]1c1[nH]cc[nH+]1 ZINC000616692769 369115985 /nfs/dbraw/zinc/11/59/85/369115985.db2.gz ZIRXWQWQKUPLGP-CYBMUJFWSA-N 1 2 242.326 2.791 10 0 BFAELO Nc1ccc(-c2[nH]c3c([nH+]2)CCCC3)cc1 ZINC000049815393 181696180 /nfs/dbraw/zinc/69/61/80/181696180.db2.gz HFSCJRQKMRTTJA-UHFFFAOYSA-N 1 2 213.284 2.538 10 0 BFAELO Cc1ccc([C@@H]2[NH2+]CC[C@@H](C)S2)cn1 ZINC000162355279 371664771 /nfs/dbraw/zinc/66/47/71/371664771.db2.gz YECFWVJVLWCJRZ-MWLCHTKSSA-N 1 2 208.330 2.504 10 0 BFAELO C[C@H](c1ccsc1)[N@@H+]1CCC(=O)[C@@H](C)C1 ZINC000216353183 371748528 /nfs/dbraw/zinc/74/85/28/371748528.db2.gz DCIMXMHXAQCIGA-VHSXEESVSA-N 1 2 223.341 2.720 10 0 BFAELO C[C@H](c1ccsc1)[N@H+]1CCC(=O)[C@@H](C)C1 ZINC000216353183 371748533 /nfs/dbraw/zinc/74/85/33/371748533.db2.gz DCIMXMHXAQCIGA-VHSXEESVSA-N 1 2 223.341 2.720 10 0 BFAELO Cc1cc(O)ccc1[NH2+][C@H]1CCSC1 ZINC000070634874 374168296 /nfs/dbraw/zinc/16/82/96/374168296.db2.gz NEOUTYZJZTYQIG-VIFPVBQESA-N 1 2 209.314 2.618 10 0 BFAELO OCCCCCc1[nH]c2ccc(Cl)cc2[nH+]1 ZINC000026462238 183049583 /nfs/dbraw/zinc/04/95/83/183049583.db2.gz OFCSRMXHNSRHNJ-UHFFFAOYSA-N 1 2 238.718 2.921 10 0 BFAELO OCCn1c2cc(Cl)ccc2[nH+]c1C1CC1 ZINC000040401009 183101634 /nfs/dbraw/zinc/10/16/34/183101634.db2.gz LVSYJIBSJXGQOO-UHFFFAOYSA-N 1 2 236.702 2.559 10 0 BFAELO O[C@H](c1c[nH]c[nH+]1)c1cccc2ccccc21 ZINC000013737889 183228533 /nfs/dbraw/zinc/22/85/33/183228533.db2.gz GABDNCQOTDJOGF-AWEZNQCLSA-N 1 2 224.263 2.645 10 0 BFAELO S=c1[nH]c2ccccc2n1CCn1cc[nH+]c1 ZINC000042541999 183313924 /nfs/dbraw/zinc/31/39/24/183313924.db2.gz GJVJLFDJDBXTJZ-UHFFFAOYSA-N 1 2 244.323 2.596 10 0 BFAELO CCC[NH2+][C@H](C(=O)OCC)c1ccccc1CC ZINC000052204305 169285242 /nfs/dbraw/zinc/28/52/42/169285242.db2.gz UTCMMEIHAGJYHN-AWEZNQCLSA-N 1 2 249.354 2.853 10 0 BFAELO CCC[NH2+][C@@H](C(=O)OCC)c1ccccc1CC ZINC000052204307 169273746 /nfs/dbraw/zinc/27/37/46/169273746.db2.gz UTCMMEIHAGJYHN-CQSZACIVSA-N 1 2 249.354 2.853 10 0 BFAELO CCC[NH2+][C@@H](C(=O)OC)c1c(C)cc(C)cc1C ZINC000037513355 169273999 /nfs/dbraw/zinc/27/39/99/169273999.db2.gz SPEVJZXSYJGEFM-CQSZACIVSA-N 1 2 249.354 2.826 10 0 BFAELO CCCNc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000037071763 169294238 /nfs/dbraw/zinc/29/42/38/169294238.db2.gz RCDYKWHWAHOOTD-UHFFFAOYSA-N 1 2 201.273 2.899 10 0 BFAELO CCCOc1ccc([NH2+]C[C@H]2CCOC2)cc1 ZINC000051785239 169319841 /nfs/dbraw/zinc/31/98/41/169319841.db2.gz BNANFKXSGDGZLE-GFCCVEGCSA-N 1 2 235.327 2.924 10 0 BFAELO CCCOc1ccc([NH2+]C[C@@H]2CCOC2)cc1 ZINC000051785238 169320335 /nfs/dbraw/zinc/32/03/35/169320335.db2.gz BNANFKXSGDGZLE-LBPRGKRZSA-N 1 2 235.327 2.924 10 0 BFAELO CCCOc1ccccc1-c1[nH]cc[nH+]1 ZINC000035029668 169326648 /nfs/dbraw/zinc/32/66/48/169326648.db2.gz JOUOFPBCMBTBAP-UHFFFAOYSA-N 1 2 202.257 2.866 10 0 BFAELO Cc1cc(N2CCS[C@@H](C)C2)nc(C2CC2)[nH+]1 ZINC000116260915 384124289 /nfs/dbraw/zinc/12/42/89/384124289.db2.gz PKKXCCUETDTJCS-JTQLQIEISA-N 1 2 249.383 2.604 10 0 BFAELO c1[nH]cc(Cc2nc3ccccc3s2)[nH+]1 ZINC000013802774 384372586 /nfs/dbraw/zinc/37/25/86/384372586.db2.gz OWVZCGABAPTZKX-UHFFFAOYSA-N 1 2 215.281 2.610 10 0 BFAELO Clc1nc2ccccc2n2c[nH+]cc12 ZINC000095883707 384404132 /nfs/dbraw/zinc/40/41/32/384404132.db2.gz UFFBCELPRQKXDZ-UHFFFAOYSA-N 1 2 203.632 2.536 10 0 BFAELO CCn1cc[nH+]c1CSCCOC(C)(C)C ZINC000175294676 384417208 /nfs/dbraw/zinc/41/72/08/384417208.db2.gz FOHNPRBCVATJFT-UHFFFAOYSA-N 1 2 242.388 2.951 10 0 BFAELO Cc1c[nH+]ccc1NC(=O)N[C@@H](C)C(C)C ZINC000121753648 384436853 /nfs/dbraw/zinc/43/68/53/384436853.db2.gz MGUSFUWJDSLBKS-JTQLQIEISA-N 1 2 221.304 2.556 10 0 BFAELO CC(=O)CC[N@@H+](C)Cc1nc2ccccc2s1 ZINC000102674716 384722677 /nfs/dbraw/zinc/72/26/77/384722677.db2.gz FYVHPEKLURMCCT-UHFFFAOYSA-N 1 2 248.351 2.707 10 0 BFAELO CC(=O)CC[N@H+](C)Cc1nc2ccccc2s1 ZINC000102674716 384722687 /nfs/dbraw/zinc/72/26/87/384722687.db2.gz FYVHPEKLURMCCT-UHFFFAOYSA-N 1 2 248.351 2.707 10 0 BFAELO CC[C@@H](C)[N@H+](Cc1ncc[nH]1)Cc1ccncc1 ZINC000055120405 384868896 /nfs/dbraw/zinc/86/88/96/384868896.db2.gz IIEPKZDZJXZECY-GFCCVEGCSA-N 1 2 244.342 2.605 10 0 BFAELO CC[C@@H](C)[N@@H+](Cc1ncc[nH]1)Cc1ccncc1 ZINC000055120405 384868903 /nfs/dbraw/zinc/86/89/03/384868903.db2.gz IIEPKZDZJXZECY-GFCCVEGCSA-N 1 2 244.342 2.605 10 0 BFAELO c1[nH+]c2c(cccc2NC2CC2)n1C1CC1 ZINC000057218987 384931449 /nfs/dbraw/zinc/93/14/49/384931449.db2.gz GWBZXBFQMPDMCO-UHFFFAOYSA-N 1 2 213.284 2.946 10 0 BFAELO C[NH+](C)c1ccc(NCc2ccc[nH]2)cc1 ZINC000060392814 385085463 /nfs/dbraw/zinc/08/54/63/385085463.db2.gz HTFVLCZDUGERKB-UHFFFAOYSA-N 1 2 215.300 2.693 10 0 BFAELO CCC(CC)[S@@](=O)Cc1[nH+]ccn1C(C)C ZINC000177115073 385184889 /nfs/dbraw/zinc/18/48/89/385184889.db2.gz AYZAUKPIWDITFL-INIZCTEOSA-N 1 2 242.388 2.901 10 0 BFAELO Cc1ccc(NC(=O)N[C@@H](C)C(C)C)c(C)[nH+]1 ZINC000152273777 385170193 /nfs/dbraw/zinc/17/01/93/385170193.db2.gz HKJIFNHFQOHLEQ-JTQLQIEISA-N 1 2 235.331 2.864 10 0 BFAELO CC(C)n1cc[nH+]c1C[S@](=O)C1CCCC1 ZINC000177072809 385177674 /nfs/dbraw/zinc/17/76/74/385177674.db2.gz MSRDEDHVJCFBSV-INIZCTEOSA-N 1 2 240.372 2.655 10 0 BFAELO Cc1nnc(C[NH2+][C@@H](C)c2ccc(C)c(F)c2)o1 ZINC000181361500 385405405 /nfs/dbraw/zinc/40/54/05/385405405.db2.gz DLVOFJSKZVZLDS-VIFPVBQESA-N 1 2 249.289 2.676 10 0 BFAELO CC[C@H](Nc1cc[nH+]c(C(C)C)n1)C(C)C ZINC000336735347 385591863 /nfs/dbraw/zinc/59/18/63/385591863.db2.gz LSUWPDHJDYONOT-NSHDSACASA-N 1 2 221.348 2.868 10 0 BFAELO COC[C@@H](CC(C)C)Nc1c[nH+]ccc1C ZINC000309547892 385681297 /nfs/dbraw/zinc/68/12/97/385681297.db2.gz HIXCLPLYWZFUAH-GFCCVEGCSA-N 1 2 222.332 2.863 10 0 BFAELO Cc1ccc([C@@H](C)[NH2+]Cc2cn(C(C)C)nn2)o1 ZINC000289898286 385963750 /nfs/dbraw/zinc/96/37/50/385963750.db2.gz YGWJMJTVBLKIQE-LLVKDONJSA-N 1 2 248.330 2.611 10 0 BFAELO C[C@]([NH3+])(c1sccc1Cl)C(F)F ZINC000575572913 386156053 /nfs/dbraw/zinc/15/60/53/386156053.db2.gz UGSVZELCZFXZNG-ZETCQYMHSA-N 1 2 211.664 2.841 10 0 BFAELO Cc1ccc([C@@H](C)[NH2+]Cc2coc(C)n2)o1 ZINC000647970869 386434037 /nfs/dbraw/zinc/43/40/37/386434037.db2.gz JKRFHCVYJPDMDF-SECBINFHSA-N 1 2 220.272 2.735 10 0 BFAELO CC(F)(F)[C@H]([NH3+])c1ccc(F)cc1F ZINC000306681197 386664447 /nfs/dbraw/zinc/66/44/47/386664447.db2.gz NGUJQRLDMKGVSY-MRVPVSSYSA-N 1 2 207.170 2.620 10 0 BFAELO Cc1c[nH+]ccc1NC(=O)N[C@@H](C)CC1CC1 ZINC000120955487 386670139 /nfs/dbraw/zinc/67/01/39/386670139.db2.gz VDGWUYHXHXMOKB-JTQLQIEISA-N 1 2 233.315 2.700 10 0 BFAELO CC(C)c1nc([C@@H]2[NH2+]CCS2)cs1 ZINC000575504220 387355503 /nfs/dbraw/zinc/35/55/03/387355503.db2.gz FZKIBYHESFOWAD-SECBINFHSA-N 1 2 214.359 2.602 10 0 BFAELO Cc1[nH+]c[nH]c1CNc1cc(C)cc(C)c1 ZINC000054793856 177909665 /nfs/dbraw/zinc/90/96/65/177909665.db2.gz ODYDKKFRKBWPHU-UHFFFAOYSA-N 1 2 215.300 2.947 10 0 BFAELO Cc1cccc([C@@H](C)[NH2+]Cc2ncc(C)cn2)c1 ZINC000452084952 387730762 /nfs/dbraw/zinc/73/07/62/387730762.db2.gz LJTDBYUAMODAED-CYBMUJFWSA-N 1 2 241.338 2.944 10 0 BFAELO C[C@@H](Nc1[nH+]c2ccccc2n1C)[C@@H]1CCCO1 ZINC000079044317 387938075 /nfs/dbraw/zinc/93/80/75/387938075.db2.gz WBITUJIUZGKACQ-MFKMUULPSA-N 1 2 245.326 2.553 10 0 BFAELO CCn1cc[nH+]c1CSCC[C@H]1CCCO1 ZINC000190047443 388646502 /nfs/dbraw/zinc/64/65/02/388646502.db2.gz YEWWVQHQBXJRDH-LLVKDONJSA-N 1 2 240.372 2.705 10 0 BFAELO C[C@@H]1[C@@H](C)CCC[N@H+]1c1cccc(N)c1 ZINC000050564035 132359085 /nfs/dbraw/zinc/35/90/85/132359085.db2.gz AFLLSBYHNLOKBA-WDEREUQCSA-N 1 2 204.317 2.894 10 0 BFAELO C[C@@H]1[C@@H](C)CCC[N@@H+]1c1cccc(N)c1 ZINC000050564035 132359086 /nfs/dbraw/zinc/35/90/86/132359086.db2.gz AFLLSBYHNLOKBA-WDEREUQCSA-N 1 2 204.317 2.894 10 0 BFAELO C[C@@H]1CCC[N@@H+](c2cccc(N)c2)[C@@H]1C ZINC000050564034 132359170 /nfs/dbraw/zinc/35/91/70/132359170.db2.gz AFLLSBYHNLOKBA-GHMZBOCLSA-N 1 2 204.317 2.894 10 0 BFAELO C[C@@H]1CCC[N@H+](c2cccc(N)c2)[C@@H]1C ZINC000050564034 132359172 /nfs/dbraw/zinc/35/91/72/132359172.db2.gz AFLLSBYHNLOKBA-GHMZBOCLSA-N 1 2 204.317 2.894 10 0 BFAELO Cc1ccc2c(c1)CCC[N@H+]2CC(C)(C)CO ZINC000051292270 132359743 /nfs/dbraw/zinc/35/97/43/132359743.db2.gz RKBZGDVIERXDEQ-UHFFFAOYSA-N 1 2 233.355 2.766 10 0 BFAELO Cc1ccc2c(c1)CCC[N@@H+]2CC(C)(C)CO ZINC000051292270 132359744 /nfs/dbraw/zinc/35/97/44/132359744.db2.gz RKBZGDVIERXDEQ-UHFFFAOYSA-N 1 2 233.355 2.766 10 0 BFAELO CC(C)n1cc[nH+]c1C[S@](=O)c1ccccc1 ZINC000177071162 134297484 /nfs/dbraw/zinc/29/74/84/134297484.db2.gz PKTNDRWLPLYAKJ-KRWDZBQOSA-N 1 2 248.351 2.772 10 0 BFAELO Cc1cnc([C@H](C)[NH2+]Cc2ncccc2C)o1 ZINC000220936064 134315414 /nfs/dbraw/zinc/31/54/14/134315414.db2.gz IGNDHXFGXPHVGE-NSHDSACASA-N 1 2 231.299 2.537 10 0 BFAELO COc1ccc(C[NH2+][C@H](C)c2ncc(C)o2)cc1 ZINC000220881401 134316849 /nfs/dbraw/zinc/31/68/49/134316849.db2.gz PDBMRRLATTZVMU-LLVKDONJSA-N 1 2 246.310 2.842 10 0 BFAELO C[C@@H]1COC[C@@H](C)[NH+]1Cc1ccccc1Cl ZINC000077366805 135063182 /nfs/dbraw/zinc/06/31/82/135063182.db2.gz VWYJUPKIUKPGLX-GHMZBOCLSA-N 1 2 239.746 2.949 10 0 BFAELO CC(C)Nc1ccc2cc(N)ccc2[nH+]1 ZINC000035343247 167147685 /nfs/dbraw/zinc/14/76/85/167147685.db2.gz WGLDKJRGOAHLGU-UHFFFAOYSA-N 1 2 201.273 2.637 10 0 BFAELO CC1CCC(c2nc(N)c3c([nH+]2)CCC3)CC1 ZINC000050844798 168170017 /nfs/dbraw/zinc/17/00/17/168170017.db2.gz ZEFFPZRSJGIGAA-UHFFFAOYSA-N 1 2 231.343 2.841 10 0 BFAELO CCCOc1cncc(-c2c[nH+]c(N)c(C)c2)c1 ZINC000129749361 411387142 /nfs/dbraw/zinc/38/71/42/411387142.db2.gz DHTOGTNCWKHFCR-UHFFFAOYSA-N 1 2 243.310 2.823 10 0 BFAELO Cc1cc[nH+]cc1N[C@@H]1CCOC(C)(C)C1 ZINC000069891306 411507530 /nfs/dbraw/zinc/50/75/30/411507530.db2.gz AANFZEJKGPMZMT-LLVKDONJSA-N 1 2 220.316 2.760 10 0 BFAELO CC[NH2+][C@@](C)(C(=O)OC)c1c(C)cc(C)cc1C ZINC000037446679 170155029 /nfs/dbraw/zinc/15/50/29/170155029.db2.gz NHEWAXMNFUFQRZ-OAHLLOKOSA-N 1 2 249.354 2.610 10 0 BFAELO CC[NH2+][C@@](C)(C(=O)OCC)c1cc(C)ccc1C ZINC000037447116 170155318 /nfs/dbraw/zinc/15/53/18/170155318.db2.gz BDQWDEVOLFJWJX-OAHLLOKOSA-N 1 2 249.354 2.691 10 0 BFAELO CC[NH2+][C@](C)(C(=O)OCC)c1ccc(CC)cc1 ZINC000037447059 170170437 /nfs/dbraw/zinc/17/04/37/170170437.db2.gz LWVPMNYRFMUDPB-HNNXBMFYSA-N 1 2 249.354 2.637 10 0 BFAELO CCNc1cc(CSc2ccncn2)cc[nH+]1 ZINC000104187648 170172087 /nfs/dbraw/zinc/17/20/87/170172087.db2.gz VNGBKMVWYRNZEN-UHFFFAOYSA-N 1 2 246.339 2.596 10 0 BFAELO CCNc1cc(C)[nH+]c(-c2ccsc2)n1 ZINC000050848830 170172369 /nfs/dbraw/zinc/17/23/69/170172369.db2.gz OGIWGPVLHLJOOY-UHFFFAOYSA-N 1 2 219.313 2.945 10 0 BFAELO CCOC(=[NH2+])c1cc(C)nc2ccccc21 ZINC000039109571 170180111 /nfs/dbraw/zinc/18/01/11/170180111.db2.gz LCQUOMURDLVOLR-UHFFFAOYSA-N 1 2 214.268 2.905 10 0 BFAELO CCOC(=O)C(C)(C)[NH2+]CCCc1ccccc1 ZINC000102826524 170187440 /nfs/dbraw/zinc/18/74/40/170187440.db2.gz PIAHZFFRTQJEND-UHFFFAOYSA-N 1 2 249.354 2.551 10 0 BFAELO CCOC(=O)[C@@H]([NH3+])c1cccc(Cl)c1Cl ZINC000033613334 170254813 /nfs/dbraw/zinc/25/48/13/170254813.db2.gz UHHYUSLSBOJVHY-VIFPVBQESA-N 1 2 248.109 2.556 10 0 BFAELO CCOC(=O)[C@@H]([NH2+][C@H](C)CC)c1ccccc1 ZINC000037975587 170255199 /nfs/dbraw/zinc/25/51/99/170255199.db2.gz UKJIVKPCDDRTGR-YPMHNXCESA-N 1 2 235.327 2.679 10 0 BFAELO CCOC(=O)[C@@H]([NH2+][C@@H](C)CC)c1cccc(C)c1 ZINC000038067553 170255218 /nfs/dbraw/zinc/25/52/18/170255218.db2.gz HUCATPNSYDLJNM-JSGCOSHPSA-N 1 2 249.354 2.987 10 0 BFAELO CCOC(=O)[C@H](C)[NH2+][C@@H]1CCCc2ccccc21 ZINC000049370061 170268798 /nfs/dbraw/zinc/26/87/98/170268798.db2.gz IDRHJIUZKGCRFZ-SMDDNHRTSA-N 1 2 247.338 2.605 10 0 BFAELO CCOC(=O)[C@H]([NH2+]CC(C)C)c1cccc(C)c1 ZINC000037966216 170277177 /nfs/dbraw/zinc/27/71/77/170277177.db2.gz AONQUMNJRHTEDF-CQSZACIVSA-N 1 2 249.354 2.845 10 0 BFAELO CCOC(=O)[C@H]([NH2+][C@@H](C)CC)c1ccccc1C ZINC000038067639 170277435 /nfs/dbraw/zinc/27/74/35/170277435.db2.gz YVZHBVMJADUBGG-GXTWGEPZSA-N 1 2 249.354 2.987 10 0 BFAELO CC[C@H](C(=O)c1ccccc1)n1cc[nH+]c1 ZINC000037340559 171241766 /nfs/dbraw/zinc/24/17/66/171241766.db2.gz SBHYVRMBRSZXGF-GFCCVEGCSA-N 1 2 214.268 2.717 10 0 BFAELO CC[C@H](C)[NH2+][C@@](C)(C(=O)OC)c1ccc(C)cc1 ZINC000038067059 171347338 /nfs/dbraw/zinc/34/73/38/171347338.db2.gz LMGSSGLTMVSMCM-SWLSCSKDSA-N 1 2 249.354 2.771 10 0 BFAELO CCc1c[nH]c([C@@H]2Cc3ccccc3N2)[nH+]1 ZINC000036438923 171746193 /nfs/dbraw/zinc/74/61/93/171746193.db2.gz HLMZQXTXYVUGHN-LBPRGKRZSA-N 1 2 213.284 2.681 10 0 BFAELO CCc1nc(N)c(-c2cccc(Cl)c2)c[nH+]1 ZINC000061675358 172014768 /nfs/dbraw/zinc/01/47/68/172014768.db2.gz ADAODIMDPAFXQO-UHFFFAOYSA-N 1 2 233.702 2.942 10 0 BFAELO C[NH2+]CC(=O)OCc1cc(C(C)(C)C)ccc1C ZINC000077429172 173335384 /nfs/dbraw/zinc/33/53/84/173335384.db2.gz MPBYDAVXKLTWBZ-UHFFFAOYSA-N 1 2 249.354 2.555 10 0 BFAELO COC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(C)c(C)c1 ZINC000042304091 173690624 /nfs/dbraw/zinc/69/06/24/173690624.db2.gz KSXWIRHLEMMWFC-NWDGAFQWSA-N 1 2 235.327 2.516 10 0 BFAELO COc1ccc([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)cc1 ZINC000085629824 175154764 /nfs/dbraw/zinc/15/47/64/175154764.db2.gz PRTOHNLGMYUWLC-MJBXVCDLSA-N 1 2 247.338 2.921 10 0 BFAELO COc1cccc2c1CCC=C2c1c[nH]c[nH+]1 ZINC000013765300 175301025 /nfs/dbraw/zinc/30/10/25/175301025.db2.gz YUEWGFBQJSQEKV-UHFFFAOYSA-N 1 2 226.279 2.796 10 0 BFAELO C[C@@H]1C[C@@H](C)C[NH+]([C@@H](C[NH3+])c2cccs2)C1 ZINC000022173328 176361942 /nfs/dbraw/zinc/36/19/42/176361942.db2.gz XTFZCWAPCWICTP-UTUOFQBUSA-N 1 2 238.400 2.726 10 0 BFAELO C[C@H]1CCCC[C@@H]1N(C)c1ccc(CO)c[nH+]1 ZINC000042609782 177081700 /nfs/dbraw/zinc/08/17/00/177081700.db2.gz RLQKKOJHXUFJSJ-AAEUAGOBSA-N 1 2 234.343 2.589 10 0 BFAELO C[C@H]1CCC[C@@H](OCc2ccc(N)[nH+]c2)C1 ZINC000050832443 177123617 /nfs/dbraw/zinc/12/36/17/177123617.db2.gz KFVDIVSKTZRQCQ-CMPLNLGQSA-N 1 2 220.316 2.759 10 0 BFAELO C[C@H]1CCn2cc(-c3cccc(N)c3)[nH+]c2C1 ZINC000049820879 177211332 /nfs/dbraw/zinc/21/13/32/177211332.db2.gz KKSUXRBRWCEWTA-JTQLQIEISA-N 1 2 227.311 2.715 10 0 BFAELO C[C@H]1C[C@@H]1Nc1cc(C(F)(F)F)cc[nH+]1 ZINC000078612387 177350645 /nfs/dbraw/zinc/35/06/45/177350645.db2.gz WTHPWEOYZZTQQK-XPUUQOCRSA-N 1 2 216.206 2.921 10 0 BFAELO C[C@H]1C[C@H]1Nc1cc(C(F)(F)F)cc[nH+]1 ZINC000078612392 177386196 /nfs/dbraw/zinc/38/61/96/177386196.db2.gz WTHPWEOYZZTQQK-POYBYMJQSA-N 1 2 216.206 2.921 10 0 BFAELO C[C@H]1Cc2cc(-c3cccc(N)[nH+]3)ccc2O1 ZINC000038069469 177387622 /nfs/dbraw/zinc/38/76/22/177387622.db2.gz IHWHAGMRMLAHFD-VIFPVBQESA-N 1 2 226.279 2.654 10 0 BFAELO CC[C@@H]([NH2+][C@@H](C)c1ccc(C)cc1C)C(=O)OC ZINC000134965564 325384915 /nfs/dbraw/zinc/38/49/15/325384915.db2.gz NFCLHPKHELDROR-GXTWGEPZSA-N 1 2 249.354 2.906 10 0 BFAELO CC[C@@H](C)c1noc(C[NH2+]Cc2ccccc2)n1 ZINC000057340717 522449627 /nfs/dbraw/zinc/44/96/27/522449627.db2.gz ZNZQPOJYOXDYPQ-LLVKDONJSA-N 1 2 245.326 2.873 10 0 BFAELO C[C@@H]1C(=O)C[N@@H+](Cc2ccccc2)[C@@H](C)[C@H]1C ZINC000238851056 526199476 /nfs/dbraw/zinc/19/94/76/526199476.db2.gz DVDWJFDLDUYNRK-AVGNSLFASA-N 1 2 231.339 2.732 10 0 BFAELO C[C@@H]1C(=O)C[N@H+](Cc2ccccc2)[C@@H](C)[C@H]1C ZINC000238851056 526199486 /nfs/dbraw/zinc/19/94/86/526199486.db2.gz DVDWJFDLDUYNRK-AVGNSLFASA-N 1 2 231.339 2.732 10 0 BFAELO CCO[C@H]1CCCN(c2ccc([NH3+])cc2C)C1 ZINC000058950032 535621228 /nfs/dbraw/zinc/62/12/28/535621228.db2.gz QSNBGFKGRPDBPN-ZDUSSCGKSA-N 1 2 234.343 2.583 10 0 BFAELO CCCCc1nc2[nH]ccc2c(NCC)[nH+]1 ZINC000757565921 586461577 /nfs/dbraw/zinc/46/15/77/586461577.db2.gz JJSVMBNBTUTFKY-UHFFFAOYSA-N 1 2 218.304 2.684 10 0 BFAELO CC(C)Nc1[nH+]c(CC2CC2)nc2[nH]ccc21 ZINC000757568969 586462161 /nfs/dbraw/zinc/46/21/61/586462161.db2.gz SLCZEBLPPWDQNI-UHFFFAOYSA-N 1 2 230.315 2.731 10 0 BFAELO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ncc[nH]2)o1 ZINC000124736941 590080510 /nfs/dbraw/zinc/08/05/10/590080510.db2.gz ZAXSXMAITJKQSD-UWVGGRQHSA-N 1 2 219.288 2.723 10 0 BFAELO C[C@@H]1CC[C@H]1[NH2+]c1ccc(N(C)C)cc1 ZINC000308775712 631641416 /nfs/dbraw/zinc/64/14/16/631641416.db2.gz CWLRMBIVEKXOQK-ZWNOBZJWSA-N 1 2 204.317 2.963 10 0 BFAELO C[C@@H]1CC[C@H]1Nc1ccc([NH+](C)C)cc1 ZINC000308775712 631641420 /nfs/dbraw/zinc/64/14/20/631641420.db2.gz CWLRMBIVEKXOQK-ZWNOBZJWSA-N 1 2 204.317 2.963 10 0 BFAELO Cc1[nH+]cn(-c2c(Cl)cccc2C=O)c1C ZINC000235945596 632854221 /nfs/dbraw/zinc/85/42/21/632854221.db2.gz DKCQGUAWSDTERE-UHFFFAOYSA-N 1 2 234.686 2.955 10 0 BFAELO Cc1cc(F)ccc1NCCCn1cc[nH+]c1 ZINC000049327816 178089896 /nfs/dbraw/zinc/08/98/96/178089896.db2.gz KEYJMDWHSZHKGJ-UHFFFAOYSA-N 1 2 233.290 2.833 10 0 BFAELO Cc1cc(N(C)c2ccccc2F)[nH+]cc1N ZINC000077361045 178101554 /nfs/dbraw/zinc/10/15/54/178101554.db2.gz PDVPDZJNMXYGHC-UHFFFAOYSA-N 1 2 231.274 2.879 10 0 BFAELO Cc1cc([NH3+])ccc1N(C)Cc1ccco1 ZINC000057528895 178105948 /nfs/dbraw/zinc/10/59/48/178105948.db2.gz ZKADCJCFRPNHHM-UHFFFAOYSA-N 1 2 216.284 2.807 10 0 BFAELO Cc1cc(N)ccc1[N@H+](C)[C@H]1CCSC1 ZINC000037174387 178106014 /nfs/dbraw/zinc/10/60/14/178106014.db2.gz INPYEFINSKFIND-NSHDSACASA-N 1 2 222.357 2.519 10 0 BFAELO Cc1cc(N)ccc1[N@@H+](C)[C@H]1CCSC1 ZINC000037174387 178106015 /nfs/dbraw/zinc/10/60/15/178106015.db2.gz INPYEFINSKFIND-NSHDSACASA-N 1 2 222.357 2.519 10 0 BFAELO Cc1cc([NH3+])ccc1N[C@H](C)[C@@H]1CCCO1 ZINC000035734625 178106815 /nfs/dbraw/zinc/10/68/15/178106815.db2.gz XEIHIMBNOKBBEW-MFKMUULPSA-N 1 2 220.316 2.557 10 0 BFAELO Cc1cc([NH3+])ccc1NCc1ccco1 ZINC000036950096 178107309 /nfs/dbraw/zinc/10/73/09/178107309.db2.gz VQRKBOFQZXHZGF-UHFFFAOYSA-N 1 2 202.257 2.782 10 0 BFAELO Cc1cc(N[C@@H](C)Cc2cccc(F)c2)nc[nH+]1 ZINC000301260256 178179235 /nfs/dbraw/zinc/17/92/35/178179235.db2.gz CTIJBUWPKXOQJF-NSHDSACASA-N 1 2 245.301 2.967 10 0 BFAELO Cc1cc2[nH+]cn([C@@H]3CCCO3)c2cc1C ZINC000005552966 178305472 /nfs/dbraw/zinc/30/54/72/178305472.db2.gz FSRRNQVQTHCLOS-ZDUSSCGKSA-N 1 2 216.284 2.962 10 0 BFAELO Cc1cc2c(n1-c1[nH]cc[nH+]1)CC(C)(C)C[C@@H]2O ZINC000104108075 178293197 /nfs/dbraw/zinc/29/31/97/178293197.db2.gz FAOFVVUBHKJATH-LBPRGKRZSA-N 1 2 245.326 2.515 10 0 BFAELO Cc1ccc(-c2nc(N)c(C)c(C)[nH+]2)c(C)c1 ZINC000050867403 178332995 /nfs/dbraw/zinc/33/29/95/178332995.db2.gz IWBOVVPDCRTXSZ-UHFFFAOYSA-N 1 2 227.311 2.959 10 0 BFAELO CCC(CC)[N@H+](C)Cc1nnsc1Cl ZINC000035220877 168369554 /nfs/dbraw/zinc/36/95/54/168369554.db2.gz JEAININVESCOIG-UHFFFAOYSA-N 1 2 233.768 2.812 10 0 BFAELO CCC(CC)[N@@H+](C)Cc1nnsc1Cl ZINC000035220877 168369555 /nfs/dbraw/zinc/36/95/55/168369555.db2.gz JEAININVESCOIG-UHFFFAOYSA-N 1 2 233.768 2.812 10 0 BFAELO CCC(CC)N(CCO)c1ccc([NH3+])cc1C ZINC000042501017 168374806 /nfs/dbraw/zinc/37/48/06/168374806.db2.gz CVTQERXANFVDPZ-UHFFFAOYSA-N 1 2 236.359 2.565 10 0 BFAELO Cc1ccc(NC(=O)OCn2cc[nH+]c2)cc1C ZINC000001460685 342701381 /nfs/dbraw/zinc/70/13/81/342701381.db2.gz SNYFJERIWCBLDY-UHFFFAOYSA-N 1 2 245.282 2.706 10 0 BFAELO CC(C)(C)O[NH2+][C@@H]1CSCCC1(C)C ZINC000134476004 342857429 /nfs/dbraw/zinc/85/74/29/342857429.db2.gz MSFVRIRXEYQVDZ-SECBINFHSA-N 1 2 217.378 2.838 10 0 BFAELO c1cc(N2C[C@H]3CC=CC[C@@H]3C2)nc(C2CC2)[nH+]1 ZINC000301399523 187205725 /nfs/dbraw/zinc/20/57/25/187205725.db2.gz BEFGFPKLKKPMFY-CHWSQXEVSA-N 1 2 241.338 2.756 10 0 BFAELO CC(C)N(c1ccc([C@H](C)O)c[nH+]1)C(C)C ZINC000584880168 343080458 /nfs/dbraw/zinc/08/04/58/343080458.db2.gz CINDDVUSWCDVTC-NSHDSACASA-N 1 2 222.332 2.758 10 0 BFAELO Nc1[nH+]c(-c2ccncc2)cc2ccccc21 ZINC000031597948 343221824 /nfs/dbraw/zinc/22/18/24/343221824.db2.gz AMCCFAMDPQHLQK-UHFFFAOYSA-N 1 2 221.263 2.879 10 0 BFAELO CCOc1ccc2[nH+]c(N)c(CC)cc2c1 ZINC000032099272 343229626 /nfs/dbraw/zinc/22/96/26/343229626.db2.gz KLKYNPDFZYLZQE-UHFFFAOYSA-N 1 2 216.284 2.778 10 0 BFAELO C(\Cn1cc[nH+]c1)=C1/CCCc2occc21 ZINC000013808215 187251343 /nfs/dbraw/zinc/25/13/43/187251343.db2.gz AHZCDINNUVENGR-WCIBSUBMSA-N 1 2 214.268 2.896 10 0 BFAELO COC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(C)c(C)c1 ZINC000037073895 343332673 /nfs/dbraw/zinc/33/26/73/343332673.db2.gz KSXWIRHLEMMWFC-RYUDHWBXSA-N 1 2 235.327 2.516 10 0 BFAELO COC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(C)cc1C ZINC000042304329 343434489 /nfs/dbraw/zinc/43/44/89/343434489.db2.gz BIDPCRXZAXEWRT-VXGBXAGGSA-N 1 2 235.327 2.516 10 0 BFAELO CC(C)[N@@H+]1CCOC[C@@H]1c1cccc(F)c1 ZINC000165483039 343448302 /nfs/dbraw/zinc/44/83/02/343448302.db2.gz JRSHLSGRHGZKHK-CYBMUJFWSA-N 1 2 223.291 2.607 10 0 BFAELO CC(C)[N@H+]1CCOC[C@@H]1c1cccc(F)c1 ZINC000165483039 343448305 /nfs/dbraw/zinc/44/83/05/343448305.db2.gz JRSHLSGRHGZKHK-CYBMUJFWSA-N 1 2 223.291 2.607 10 0 BFAELO CCOC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccccc1C ZINC000049368208 343596551 /nfs/dbraw/zinc/59/65/51/343596551.db2.gz XSRYHKYHVXJXTA-NWDGAFQWSA-N 1 2 235.327 2.597 10 0 BFAELO CC(C)C[C@@H](C)OC(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000052880834 187271593 /nfs/dbraw/zinc/27/15/93/187271593.db2.gz SWLNNCDLXUDITL-DOMZBBRYSA-N 1 2 249.354 2.838 10 0 BFAELO Nc1cc(C2CCCCC2)[nH+]c(C2CC2)n1 ZINC000380651874 343796916 /nfs/dbraw/zinc/79/69/16/343796916.db2.gz QOOKLWXKIOOHHB-UHFFFAOYSA-N 1 2 217.316 2.814 10 0 BFAELO CC(C)c1n[nH]c(-c2ccccc2)c1CC[NH3+] ZINC000409438370 343850883 /nfs/dbraw/zinc/85/08/83/343850883.db2.gz DDJADDLIUMYXIJ-UHFFFAOYSA-N 1 2 229.327 2.701 10 0 BFAELO C[C@H]1CS[C@@H](c2ncc(Cl)s2)[NH2+]1 ZINC000223219257 344380623 /nfs/dbraw/zinc/38/06/23/344380623.db2.gz NNBRRDRVVFMLLL-FFWSUHOLSA-N 1 2 220.750 2.520 10 0 BFAELO CC[C@@H]([NH2+][C@H]1CCCc2ccccc21)C(=O)OC ZINC000105993828 344472835 /nfs/dbraw/zinc/47/28/35/344472835.db2.gz QCMQDZGSJYQVOS-KGLIPLIRSA-N 1 2 247.338 2.605 10 0 BFAELO Cc1ccncc1[C@H]1[NH2+]CC[C@@H](C)S1 ZINC000135523845 344742026 /nfs/dbraw/zinc/74/20/26/344742026.db2.gz NFAJLDCYXDGBLF-KOLCDFICSA-N 1 2 208.330 2.504 10 0 BFAELO C[C@@H]1CCc2[nH+]c(-c3ccccc3N)cn2C1 ZINC000258082730 345780039 /nfs/dbraw/zinc/78/00/39/345780039.db2.gz BGDRPFYUTWSGEQ-SNVBAGLBSA-N 1 2 227.311 2.715 10 0 BFAELO C[C@H]1CCCc2[nH+]c(-c3cccnc3)cn21 ZINC000258049353 345780128 /nfs/dbraw/zinc/78/01/28/345780128.db2.gz AHPJZQUDOSHQAZ-JTQLQIEISA-N 1 2 213.284 2.842 10 0 BFAELO C[C@H]1CCc2[nH+]c(-c3cccnc3)cn2C1 ZINC000258603467 345784399 /nfs/dbraw/zinc/78/43/99/345784399.db2.gz VOJZTEWQOBGHNV-JTQLQIEISA-N 1 2 213.284 2.527 10 0 BFAELO CC[C@@H]1CC[C@@H](C)[N@@H+]1Cc1nnc(Cl)s1 ZINC000136108420 345845617 /nfs/dbraw/zinc/84/56/17/345845617.db2.gz FUZOKIUHJAFUFG-HTQZYQBOSA-N 1 2 245.779 2.954 10 0 BFAELO CC[C@@H]1CC[C@@H](C)[N@H+]1Cc1nnc(Cl)s1 ZINC000136108420 345845620 /nfs/dbraw/zinc/84/56/20/345845620.db2.gz FUZOKIUHJAFUFG-HTQZYQBOSA-N 1 2 245.779 2.954 10 0 BFAELO Clc1c[nH+]ccc1NN1CCCCC1 ZINC000148241269 346034340 /nfs/dbraw/zinc/03/43/40/346034340.db2.gz NQYOUPBZPIMMIA-UHFFFAOYSA-N 1 2 211.696 2.548 10 0 BFAELO Cc1ccccc1[C@H](C)[NH2+]Cc1csnn1 ZINC000036902031 179339133 /nfs/dbraw/zinc/33/91/33/179339133.db2.gz XNPQJYOLDMODJL-JTQLQIEISA-N 1 2 233.340 2.697 10 0 BFAELO Cc1cc[nH+]cc1N[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000250870336 349180559 /nfs/dbraw/zinc/18/05/59/349180559.db2.gz JZOUTNUPDLBFCJ-ZSBIGDGJSA-N 1 2 220.316 2.758 10 0 BFAELO Cc1[nH]c(-c2ccc(N)cc2Cl)[nH+]c1C ZINC000042414857 179864351 /nfs/dbraw/zinc/86/43/51/179864351.db2.gz NENFEPWSEMIODE-UHFFFAOYSA-N 1 2 221.691 2.929 10 0 BFAELO Cc1cn2cc(C(F)(F)F)ccc2[nH+]1 ZINC000071571313 350115170 /nfs/dbraw/zinc/11/51/70/350115170.db2.gz PTZKVRBKHNGFSO-UHFFFAOYSA-N 1 2 200.163 2.662 10 0 BFAELO Cc1nc([C@H](C)[NH2+]Cc2conc2C)cs1 ZINC000339246007 180050422 /nfs/dbraw/zinc/05/04/22/180050422.db2.gz NCYSIKRXQRFZMX-QMMMGPOBSA-N 1 2 237.328 2.599 10 0 BFAELO Cc1[nH+]c2ccccc2n1[C@H]1CCCC[C@@H]1O ZINC000037490615 180103387 /nfs/dbraw/zinc/10/33/87/180103387.db2.gz LRVBFAPDHDFBGX-KBPBESRZSA-N 1 2 230.311 2.821 10 0 BFAELO Cc1[nH+]c[nH]c1CNc1cc(F)ccc1F ZINC000054793630 180121007 /nfs/dbraw/zinc/12/10/07/180121007.db2.gz YMMNIGKDUZFXLP-UHFFFAOYSA-N 1 2 223.226 2.608 10 0 BFAELO Cc1[nH+]c[nH]c1CNc1cc(F)c(F)c(F)c1 ZINC000061099688 180121338 /nfs/dbraw/zinc/12/13/38/180121338.db2.gz VTRGOMWAMUFSOG-UHFFFAOYSA-N 1 2 241.216 2.748 10 0 BFAELO Cc1ncc(C[N@@H+]2Cc3cccc(N)c3C2)s1 ZINC000049534590 180148257 /nfs/dbraw/zinc/14/82/57/180148257.db2.gz PFQXEESZMNRJQD-UHFFFAOYSA-N 1 2 245.351 2.550 10 0 BFAELO Cc1ncc(C[N@H+]2Cc3cccc(N)c3C2)s1 ZINC000049534590 180148259 /nfs/dbraw/zinc/14/82/59/180148259.db2.gz PFQXEESZMNRJQD-UHFFFAOYSA-N 1 2 245.351 2.550 10 0 BFAELO Cc1ccc([C@H](C)Nc2cc[nH+]c(C)n2)o1 ZINC000054936056 180203513 /nfs/dbraw/zinc/20/35/13/180203513.db2.gz WRDDORXJHNIBKA-VIFPVBQESA-N 1 2 217.272 2.860 10 0 BFAELO Cc1[nH+]cn(-c2ccc(N)cc2Cl)c1C ZINC000051925481 180285472 /nfs/dbraw/zinc/28/54/72/180285472.db2.gz OIBVMVMZFPCTAD-UHFFFAOYSA-N 1 2 221.691 2.725 10 0 BFAELO CC(C)=CC[N@H+]1C[C@@H]2CCCCN2C[C@H]1C ZINC000300372481 191112352 /nfs/dbraw/zinc/11/23/52/191112352.db2.gz VAKPKJCLEONZCB-KGLIPLIRSA-N 1 2 222.376 2.511 10 0 BFAELO CC(C)=CC[N@@H+]1C[C@@H]2CCCCN2C[C@H]1C ZINC000300372481 191112355 /nfs/dbraw/zinc/11/23/55/191112355.db2.gz VAKPKJCLEONZCB-KGLIPLIRSA-N 1 2 222.376 2.511 10 0 BFAELO CC(C)[N@@H+]1CCCC[C@H]1OC(F)(F)F ZINC000616615762 350850320 /nfs/dbraw/zinc/85/03/20/350850320.db2.gz QVEHLVZBUWWASI-MRVPVSSYSA-N 1 2 211.227 2.743 10 0 BFAELO CC(C)[N@H+]1CCCC[C@H]1OC(F)(F)F ZINC000616615762 350850322 /nfs/dbraw/zinc/85/03/22/350850322.db2.gz QVEHLVZBUWWASI-MRVPVSSYSA-N 1 2 211.227 2.743 10 0 BFAELO Nc1ccc([NH2+]CCCF)c(Br)c1 ZINC000306724655 350893688 /nfs/dbraw/zinc/89/36/88/350893688.db2.gz VIBRVRMFDQBPCU-UHFFFAOYSA-N 1 2 247.111 2.803 10 0 BFAELO CC[C@H]1CS[C@H](c2nc(C)cs2)[NH2+]1 ZINC000159623064 350955342 /nfs/dbraw/zinc/95/53/42/350955342.db2.gz ZVIXIFDQPKTOFJ-IONNQARKSA-N 1 2 214.359 2.565 10 0 BFAELO CC(C)[N@@H+]1CCOC[C@H]1c1ccccc1F ZINC000616641591 351149365 /nfs/dbraw/zinc/14/93/65/351149365.db2.gz JSNRRQHBYQCLRN-ZDUSSCGKSA-N 1 2 223.291 2.607 10 0 BFAELO CC(C)[N@H+]1CCOC[C@H]1c1ccccc1F ZINC000616641591 351149369 /nfs/dbraw/zinc/14/93/69/351149369.db2.gz JSNRRQHBYQCLRN-ZDUSSCGKSA-N 1 2 223.291 2.607 10 0 BFAELO CCN1c2ccccc2CC[C@@H]1c1c[nH+]c[nH]1 ZINC000616669856 351229303 /nfs/dbraw/zinc/22/93/03/351229303.db2.gz RZSFKMFLIQVIPU-CQSZACIVSA-N 1 2 227.311 2.924 10 0 BFAELO CCN1c2ccccc2CC[C@@H]1c1c[nH]c[nH+]1 ZINC000616669856 351229307 /nfs/dbraw/zinc/22/93/07/351229307.db2.gz RZSFKMFLIQVIPU-CQSZACIVSA-N 1 2 227.311 2.924 10 0 BFAELO Clc1ccc2c(Br)[nH+]cn2c1 ZINC000306871313 180585555 /nfs/dbraw/zinc/58/55/55/180585555.db2.gz XAWZIKFVVANXQQ-UHFFFAOYSA-N 1 2 231.480 2.750 10 0 BFAELO Cc1cc([C@H]2[NH2+][C@H](C)CCS2)sn1 ZINC000404439524 351449819 /nfs/dbraw/zinc/44/98/19/351449819.db2.gz ITCJOCNKIKGBRV-MUWHJKNJSA-N 1 2 214.359 2.565 10 0 BFAELO C[C@@H](Nc1cc(N)cc(Cl)[nH+]1)C1CC1 ZINC000228876943 351462413 /nfs/dbraw/zinc/46/24/13/351462413.db2.gz QHBYQEOAFWFJNM-ZCFIWIBFSA-N 1 2 211.696 2.528 10 0 BFAELO C/C(=C\Cl)C[NH2+]N1[C@H](C)CCC[C@@H]1C ZINC000232000782 351507560 /nfs/dbraw/zinc/50/75/60/351507560.db2.gz ZLGGMJLBCISWFK-GVDBZTIHSA-N 1 2 216.756 2.897 10 0 BFAELO CC(C)(Nc1cccc[nH+]1)C(F)(F)F ZINC000307169736 351544866 /nfs/dbraw/zinc/54/48/66/351544866.db2.gz YYXNOLVBMSHHKQ-UHFFFAOYSA-N 1 2 204.195 2.834 10 0 BFAELO C[NH2+][C@H](c1cccc(F)c1)C(C)(F)F ZINC000307371031 352471098 /nfs/dbraw/zinc/47/10/98/352471098.db2.gz SWNJUTLIDNZUFP-SECBINFHSA-N 1 2 203.207 2.741 10 0 BFAELO CC[C@@H](C)[C@H]1CC(=O)C[N@@H+]1Cc1ccccc1 ZINC000725272302 538104260 /nfs/dbraw/zinc/10/42/60/538104260.db2.gz KMSQZFIHCRMWKK-IUODEOHRSA-N 1 2 231.339 2.876 10 0 BFAELO CC[C@@H](C)[C@H]1CC(=O)C[N@H+]1Cc1ccccc1 ZINC000725272302 538104261 /nfs/dbraw/zinc/10/42/61/538104261.db2.gz KMSQZFIHCRMWKK-IUODEOHRSA-N 1 2 231.339 2.876 10 0 BFAELO CC(C)(C)[C@H]1CC(=O)C[N@@H+]1Cc1ccccc1 ZINC000725272827 538104664 /nfs/dbraw/zinc/10/46/64/538104664.db2.gz SEPUYRYSYJKBMN-CQSZACIVSA-N 1 2 231.339 2.876 10 0 BFAELO CC(C)(C)[C@H]1CC(=O)C[N@H+]1Cc1ccccc1 ZINC000725272827 538104665 /nfs/dbraw/zinc/10/46/65/538104665.db2.gz SEPUYRYSYJKBMN-CQSZACIVSA-N 1 2 231.339 2.876 10 0 BFAELO C[NH2+][C@]1(C(F)(F)F)C[C@H](C)CC[C@H]1C ZINC000252180618 363193999 /nfs/dbraw/zinc/19/39/99/363193999.db2.gz SVPNZXQYGVBSSW-IWSPIJDZSA-N 1 2 209.255 2.963 10 0 BFAELO C[C@@H]1C[NH2+][C@H](c2cccc(O)c2Cl)S1 ZINC000307656055 352744423 /nfs/dbraw/zinc/74/44/23/352744423.db2.gz YDENHXRXGDMARO-LDWIPMOCSA-N 1 2 229.732 2.769 10 0 BFAELO C[C@H]1CCC[N@H+](Cc2nnc(Cl)s2)[C@H]1C ZINC000252192279 363210123 /nfs/dbraw/zinc/21/01/23/363210123.db2.gz RUHGTFRZZMLBML-YUMQZZPRSA-N 1 2 245.779 2.812 10 0 BFAELO C[C@H]1CCC[N@@H+](Cc2nnc(Cl)s2)[C@H]1C ZINC000252192279 363210128 /nfs/dbraw/zinc/21/01/28/363210128.db2.gz RUHGTFRZZMLBML-YUMQZZPRSA-N 1 2 245.779 2.812 10 0 BFAELO CC(C)(C)[C@@H](O)Cn1cc[nH+]c1-c1ccccc1 ZINC000044187002 188296456 /nfs/dbraw/zinc/29/64/56/188296456.db2.gz XUOYEOXPPDRJNG-ZDUSSCGKSA-N 1 2 244.338 2.957 10 0 BFAELO C[C@H]1C[NH2+][C@@H](c2ncc(Cl)s2)S1 ZINC000223218998 353364300 /nfs/dbraw/zinc/36/43/00/353364300.db2.gz DOINLINKZQWSDI-UJURSFKZSA-N 1 2 220.750 2.520 10 0 BFAELO CC[C@H]1CS[C@@H](c2ncc(Cl)s2)[NH2+]1 ZINC000223220435 353368011 /nfs/dbraw/zinc/36/80/11/353368011.db2.gz QLNOTCDMCCNTKH-XNCJUZBTSA-N 1 2 234.777 2.910 10 0 BFAELO CCc1cc(N[C@H](C)c2ncc(C)o2)nc[nH+]1 ZINC000226546799 538116725 /nfs/dbraw/zinc/11/67/25/538116725.db2.gz FKZKHVVEJHYQOO-SECBINFHSA-N 1 2 232.287 2.509 10 0 BFAELO Cc1cc(C)c(NC(=O)[C@H]2CC[C@H](C)O2)c(C)[nH+]1 ZINC000178306063 366113257 /nfs/dbraw/zinc/11/32/57/366113257.db2.gz CMPARJKEFADTKR-CMPLNLGQSA-N 1 2 248.326 2.513 10 0 BFAELO CN(C)c1cc(-c2ccc(F)c(N)c2F)cc[nH+]1 ZINC000675058959 538482449 /nfs/dbraw/zinc/48/24/49/538482449.db2.gz DQAIJPCEMPWDBE-UHFFFAOYSA-N 1 2 249.264 2.675 10 0 BFAELO CCn1cc[nH+]c1-c1cc(C)c(C=O)cc1C ZINC000675073402 538505603 /nfs/dbraw/zinc/50/56/03/538505603.db2.gz WDGMRDNYWRXULK-UHFFFAOYSA-N 1 2 228.295 2.999 10 0 BFAELO C[C@@H]1CC(C)(C)C[C@H]1[NH2+]CC(F)(F)F ZINC000235298679 357852791 /nfs/dbraw/zinc/85/27/91/357852791.db2.gz CADNXUJMRWMRDG-HTQZYQBOSA-N 1 2 209.255 2.963 10 0 BFAELO CCC[C@H]1Cc2cc(OC)c(OC)cc2C=[NH+]1 ZINC000584606485 358265996 /nfs/dbraw/zinc/26/59/96/358265996.db2.gz WXWJFVQCGBTUTN-LBPRGKRZSA-N 1 2 233.311 2.848 10 0 BFAELO Cc1cc(OCCC[NH+]2CC2)nc2ccccc12 ZINC000584650538 358305104 /nfs/dbraw/zinc/30/51/04/358305104.db2.gz QAFBMWPNSOPSQU-UHFFFAOYSA-N 1 2 242.322 2.628 10 0 BFAELO C[C@@H](Nc1cccc[nH+]1)c1cncc(F)c1 ZINC000134147056 358781623 /nfs/dbraw/zinc/78/16/23/358781623.db2.gz BZKUQCYKKLZSLF-SECBINFHSA-N 1 2 217.247 2.789 10 0 BFAELO CC[N@@H+]1CCc2cc(Br)sc2C1 ZINC000090651764 360082008 /nfs/dbraw/zinc/08/20/08/360082008.db2.gz JQNAKFMLOGPERQ-UHFFFAOYSA-N 1 2 246.173 2.889 10 0 BFAELO CC[N@H+]1CCc2cc(Br)sc2C1 ZINC000090651764 360082012 /nfs/dbraw/zinc/08/20/12/360082012.db2.gz JQNAKFMLOGPERQ-UHFFFAOYSA-N 1 2 246.173 2.889 10 0 BFAELO Cc1ccc(F)c(C[NH+]2[C@@H](C)COC[C@@H]2C)c1 ZINC000093606630 360263113 /nfs/dbraw/zinc/26/31/13/360263113.db2.gz RZFBAGISJCTXSB-RYUDHWBXSA-N 1 2 237.318 2.743 10 0 BFAELO Cc1ccc(F)c(C[N@H+]2[C@H](C)COC[C@@H]2C)c1 ZINC000093606629 360263306 /nfs/dbraw/zinc/26/33/06/360263306.db2.gz RZFBAGISJCTXSB-TXEJJXNPSA-N 1 2 237.318 2.743 10 0 BFAELO Cc1ccc(F)c(C[N@@H+]2[C@H](C)COC[C@@H]2C)c1 ZINC000093606629 360263309 /nfs/dbraw/zinc/26/33/09/360263309.db2.gz RZFBAGISJCTXSB-TXEJJXNPSA-N 1 2 237.318 2.743 10 0 BFAELO C[C@H]1SC(Nc2ccccc2)=[NH+][C@H]1C ZINC000238511099 361133124 /nfs/dbraw/zinc/13/31/24/361133124.db2.gz GFVQSVUITUGWNV-DTWKUNHWSA-N 1 2 206.314 2.978 10 0 BFAELO Cc1cc(C(=O)C[NH+]2CCCCC2)cs1 ZINC000306638469 361586866 /nfs/dbraw/zinc/58/68/66/361586866.db2.gz CDSIBVCLOPPOLN-UHFFFAOYSA-N 1 2 223.341 2.725 10 0 BFAELO c1ccc2c(c1)[nH+]c1n2[C@H]2CCC[C@@H]2CN1 ZINC000232483411 541394463 /nfs/dbraw/zinc/39/44/63/541394463.db2.gz YJRWDNXDRZEBLW-KOLCDFICSA-N 1 2 213.284 2.803 10 0 BFAELO COc1ccc(Oc2cc[nH+]cc2)c(OC)c1 ZINC000224244168 368366078 /nfs/dbraw/zinc/36/60/78/368366078.db2.gz DDOJKSRDMAEGLC-UHFFFAOYSA-N 1 2 231.251 2.891 10 0 BFAELO CC(C)N1c2ccccc2NC[C@@H]1c1c[nH+]c[nH]1 ZINC000616588094 369096746 /nfs/dbraw/zinc/09/67/46/369096746.db2.gz WGUGNIFRPNMKEU-CQSZACIVSA-N 1 2 242.326 2.791 10 0 BFAELO CC(C)N1c2ccccc2NC[C@@H]1c1c[nH]c[nH+]1 ZINC000616588094 369096750 /nfs/dbraw/zinc/09/67/50/369096750.db2.gz WGUGNIFRPNMKEU-CQSZACIVSA-N 1 2 242.326 2.791 10 0 BFAELO Cc1ccc([C@@H]2[NH2+]CC[C@H](C)S2)cn1 ZINC000162355010 371663978 /nfs/dbraw/zinc/66/39/78/371663978.db2.gz YECFWVJVLWCJRZ-GXSJLCMTSA-N 1 2 208.330 2.504 10 0 BFAELO C[NH2+]CC(F)(F)c1cccc(Cl)c1 ZINC000131758579 371667753 /nfs/dbraw/zinc/66/77/53/371667753.db2.gz DOZCDLDHRNPYRC-UHFFFAOYSA-N 1 2 205.635 2.651 10 0 BFAELO Nc1cc(SCC2CCCC2)cc[nH+]1 ZINC000227674532 371919830 /nfs/dbraw/zinc/91/98/30/371919830.db2.gz FIVCKAZHQJUIQF-UHFFFAOYSA-N 1 2 208.330 2.946 10 0 BFAELO Cc1ncc([C@H]2[NH2+][C@@H](C)CCS2)s1 ZINC000307737518 372144159 /nfs/dbraw/zinc/14/41/59/372144159.db2.gz UZLLOTARSTWPHP-RCOVLWMOSA-N 1 2 214.359 2.565 10 0 BFAELO CC(=O)Nc1ccc(NC2=[NH+]CCCS2)cc1 ZINC000008702138 372859935 /nfs/dbraw/zinc/85/99/35/372859935.db2.gz PVVXNAFEMPZFDB-UHFFFAOYSA-N 1 2 249.339 2.550 10 0 BFAELO CCCC[S@@](=O)Cc1[nH+]ccn1C(C)C ZINC000133731368 169016178 /nfs/dbraw/zinc/01/61/78/169016178.db2.gz QXJOMXPOTLIXBB-HNNXBMFYSA-N 1 2 228.361 2.513 10 0 BFAELO CCCCn1cc[nH+]c1-c1ccc(N)cc1 ZINC000037974151 169036594 /nfs/dbraw/zinc/03/65/94/169036594.db2.gz GLRXQNBKRJPIQK-UHFFFAOYSA-N 1 2 215.300 2.932 10 0 BFAELO O[C@@H](Cn1cc[nH+]c1)c1ccc2ccccc2c1 ZINC000005117567 183185172 /nfs/dbraw/zinc/18/51/72/183185172.db2.gz LFAPKHXSAABGPQ-HNNXBMFYSA-N 1 2 238.290 2.770 10 0 BFAELO OCc1ccc([NH+]2CCCCCCC2)cc1 ZINC000054009831 183166216 /nfs/dbraw/zinc/16/62/16/183166216.db2.gz ALSXIDPWMQYOLC-UHFFFAOYSA-N 1 2 219.328 2.949 10 0 BFAELO Oc1ccc([C@H]2OCC[C@H]3CCCC[N@@H+]32)cc1 ZINC000004228050 183279059 /nfs/dbraw/zinc/27/90/59/183279059.db2.gz MTNHRTUBILGTGY-TZMCWYRMSA-N 1 2 233.311 2.666 10 0 BFAELO Oc1ccc([C@H]2OCC[C@H]3CCCC[N@H+]32)cc1 ZINC000004228050 183279061 /nfs/dbraw/zinc/27/90/61/183279061.db2.gz MTNHRTUBILGTGY-TZMCWYRMSA-N 1 2 233.311 2.666 10 0 BFAELO c1cc([NH+]2CCCCC2)cc2c1CCN2 ZINC000032010101 183369433 /nfs/dbraw/zinc/36/94/33/183369433.db2.gz VCMGOHXWXIPHMP-UHFFFAOYSA-N 1 2 202.301 2.645 10 0 BFAELO CCC[NH2+][C@H](C(=O)OCC)c1ccc(C)cc1C ZINC000037513679 169284818 /nfs/dbraw/zinc/28/48/18/169284818.db2.gz YPNQIWADWRYKME-AWEZNQCLSA-N 1 2 249.354 2.907 10 0 BFAELO CCC[NH2+][C@H](C(=O)OC)c1ccc(C)cc1C ZINC000037513362 169284824 /nfs/dbraw/zinc/28/48/24/169284824.db2.gz RJVRWFCZPGUWMT-ZDUSSCGKSA-N 1 2 235.327 2.517 10 0 BFAELO CCCNc1nc([C@H]2CCOC2)[nH+]c(C)c1CC ZINC000051691598 169295547 /nfs/dbraw/zinc/29/55/47/169295547.db2.gz VBAFHUAKXRBGNM-NSHDSACASA-N 1 2 249.358 2.673 10 0 BFAELO CCCNc1nc([C@H]2CCOC2)[nH+]c(CC)c1C ZINC000104156884 169295821 /nfs/dbraw/zinc/29/58/21/169295821.db2.gz CCSKKPHQKAFIJF-NSHDSACASA-N 1 2 249.358 2.673 10 0 BFAELO CCCNc1[nH+]cnc2c1cnn2[C@H](C)CC ZINC000062367263 169296388 /nfs/dbraw/zinc/29/63/88/169296388.db2.gz ROHJDRHWAHAPBB-SECBINFHSA-N 1 2 233.319 2.619 10 0 BFAELO CCC[C@@H](C)[NH2+]c1ccc(-n2cncn2)cc1 ZINC000037769087 169371269 /nfs/dbraw/zinc/37/12/69/169371269.db2.gz XJZVYNRIRXPXGS-LLVKDONJSA-N 1 2 230.315 2.868 10 0 BFAELO CCCCC[N@@H+]1CCCC[C@H]1c1nnc[nH]1 ZINC000182703416 134348006 /nfs/dbraw/zinc/34/80/06/134348006.db2.gz MFPIHPZRMHAGKB-NSHDSACASA-N 1 2 222.336 2.522 10 0 BFAELO CCCCC[N@H+]1CCCC[C@H]1c1nnc[nH]1 ZINC000182703416 134348007 /nfs/dbraw/zinc/34/80/07/134348007.db2.gz MFPIHPZRMHAGKB-NSHDSACASA-N 1 2 222.336 2.522 10 0 BFAELO CCCCC[N@@H+]1CCCC[C@H]1c1nc[nH]n1 ZINC000182703416 134348008 /nfs/dbraw/zinc/34/80/08/134348008.db2.gz MFPIHPZRMHAGKB-NSHDSACASA-N 1 2 222.336 2.522 10 0 BFAELO CCCCC[N@H+]1CCCC[C@H]1c1nc[nH]n1 ZINC000182703416 134348009 /nfs/dbraw/zinc/34/80/09/134348009.db2.gz MFPIHPZRMHAGKB-NSHDSACASA-N 1 2 222.336 2.522 10 0 BFAELO CCCc1ccc(-c2cc(N)nc(C)[nH+]2)cc1 ZINC000071533334 383871746 /nfs/dbraw/zinc/87/17/46/383871746.db2.gz KFRFLWIHBUWLNC-UHFFFAOYSA-N 1 2 227.311 2.987 10 0 BFAELO c1cc2[nH+]cnc(NCc3ccccc3)c2[nH]1 ZINC000089223759 383951421 /nfs/dbraw/zinc/95/14/21/383951421.db2.gz BQNXRDMOJHZVJZ-UHFFFAOYSA-N 1 2 224.267 2.570 10 0 BFAELO CCc1cccc(CCc2ccccn2)[nH+]1 ZINC000039101581 384103687 /nfs/dbraw/zinc/10/36/87/384103687.db2.gz CXDXAFLFCPWHKF-UHFFFAOYSA-N 1 2 212.296 2.824 10 0 BFAELO CCOc1ccccc1[C@@H](C)[NH2+]Cc1ncc[nH]1 ZINC000070939307 384141655 /nfs/dbraw/zinc/14/16/55/384141655.db2.gz FBRLGFRNHQPOTA-LLVKDONJSA-N 1 2 245.326 2.659 10 0 BFAELO Cc1cc[nH+]cc1N[C@H]1CSC[C@@H]1C ZINC000295705585 384689043 /nfs/dbraw/zinc/68/90/43/384689043.db2.gz MQYJBNLIWQEHHY-ONGXEEELSA-N 1 2 208.330 2.553 10 0 BFAELO c1cn(CC[C@H]2CCCc3ncccc32)c[nH+]1 ZINC000013808190 384871908 /nfs/dbraw/zinc/87/19/08/384871908.db2.gz VPDLANZEXFQJSQ-GFCCVEGCSA-N 1 2 227.311 2.788 10 0 BFAELO CC(C)(C)Nc1cc[nH+]c(C(C)(C)C)n1 ZINC000301528389 384889872 /nfs/dbraw/zinc/88/98/72/384889872.db2.gz JYKXWTSXFKTVDD-UHFFFAOYSA-N 1 2 207.321 2.985 10 0 BFAELO CC(=O)c1ccc(OCCCc2c[nH]c[nH+]2)cc1 ZINC000013517752 384852250 /nfs/dbraw/zinc/85/22/50/384852250.db2.gz FDJSGXRROVCWFT-UHFFFAOYSA-N 1 2 244.294 2.624 10 0 BFAELO CC(=O)c1ccc(OCCCc2c[nH+]c[nH]2)cc1 ZINC000013517752 384852261 /nfs/dbraw/zinc/85/22/61/384852261.db2.gz FDJSGXRROVCWFT-UHFFFAOYSA-N 1 2 244.294 2.624 10 0 BFAELO Cc1cc[nH+]cc1N[C@@H](C)COC(C)C ZINC000308846397 385208084 /nfs/dbraw/zinc/20/80/84/385208084.db2.gz MLSFXEMIDYBDJY-NSHDSACASA-N 1 2 208.305 2.615 10 0 BFAELO CCc1ccc([C@H](C)[NH2+]Cc2noc(C)n2)cc1 ZINC000154927625 385365388 /nfs/dbraw/zinc/36/53/88/385365388.db2.gz VRNAKWANOAUCKN-JTQLQIEISA-N 1 2 245.326 2.791 10 0 BFAELO Cc1cc[nH+]c(N[C@@H](C)CF)c1Br ZINC000575580477 386232297 /nfs/dbraw/zinc/23/22/97/386232297.db2.gz UVWGTKOBAOERJB-ZETCQYMHSA-N 1 2 247.111 2.922 10 0 BFAELO CCc1[nH+]c(C)ccc1Oc1ccc(N)cn1 ZINC000232200621 386745268 /nfs/dbraw/zinc/74/52/68/386745268.db2.gz MIVJKHFACOSDLH-UHFFFAOYSA-N 1 2 229.283 2.722 10 0 BFAELO CC(C)c1nc(N[C@H](C)[C@@H]2CCCO2)cc[nH+]1 ZINC000301214999 386825036 /nfs/dbraw/zinc/82/50/36/386825036.db2.gz ZJNGHEBQXOPZTA-MNOVXSKESA-N 1 2 235.331 2.579 10 0 BFAELO CO[C@H]1CCC[C@H](Nc2cc[nH+]c(C3CC3)n2)C1 ZINC000301758004 386875685 /nfs/dbraw/zinc/87/56/85/386875685.db2.gz FBPKWWWCHITLNW-RYUDHWBXSA-N 1 2 247.342 2.724 10 0 BFAELO Cc1cc(N(C)Cc2ccc(C)c(F)c2)nc[nH+]1 ZINC000302696927 386932091 /nfs/dbraw/zinc/93/20/91/386932091.db2.gz GUFYOBPGLQYBQJ-UHFFFAOYSA-N 1 2 245.301 2.869 10 0 BFAELO C[C@@H]1C[C@H](C)C[N@H+](c2ccccc2C(N)=S)C1 ZINC000020077036 132329577 /nfs/dbraw/zinc/32/95/77/132329577.db2.gz XXVUSSVWGUCQNF-PHIMTYICSA-N 1 2 248.395 2.803 10 0 BFAELO C[C@@H]1C[C@H](C)C[N@@H+](c2ccccc2C(N)=S)C1 ZINC000020077036 132329579 /nfs/dbraw/zinc/32/95/79/132329579.db2.gz XXVUSSVWGUCQNF-PHIMTYICSA-N 1 2 248.395 2.803 10 0 BFAELO CC[C@H]1CO[C@@H](C)CN1c1ccc([NH3+])cc1C ZINC000036131699 132339967 /nfs/dbraw/zinc/33/99/67/132339967.db2.gz AEAXDLSHJNDPJC-AAEUAGOBSA-N 1 2 234.343 2.581 10 0 BFAELO C[C@H]1C[C@H](C)C[NH+](c2cccc(N)c2)C1 ZINC000036720275 132342198 /nfs/dbraw/zinc/34/21/98/132342198.db2.gz QHHKGUVAZDDJMB-QWRGUYRKSA-N 1 2 204.317 2.751 10 0 BFAELO OCc1ccc[nH+]c1N1CCC[C@@H]2CCCC[C@@H]21 ZINC000040878928 132348955 /nfs/dbraw/zinc/34/89/55/132348955.db2.gz BQNMODHCLMNZJG-JSGCOSHPSA-N 1 2 246.354 2.733 10 0 BFAELO C[C@@H](Nc1cccc[nH+]1)c1cccc(O)c1 ZINC000174720797 134283062 /nfs/dbraw/zinc/28/30/62/134283062.db2.gz DHKRUYKWXNJACA-SNVBAGLBSA-N 1 2 214.268 2.960 10 0 BFAELO Cc1cnc([C@@H](C)[NH2+]Cc2ccc(C)nc2)o1 ZINC000220909465 134315088 /nfs/dbraw/zinc/31/50/88/134315088.db2.gz KKODNYRJFXUTDL-LLVKDONJSA-N 1 2 231.299 2.537 10 0 BFAELO Cc1cnc([C@@H](C)[NH2+]Cc2ccc(F)cc2)o1 ZINC000220883304 134316507 /nfs/dbraw/zinc/31/65/07/134316507.db2.gz RPBKGHFGTROHBG-SNVBAGLBSA-N 1 2 234.274 2.973 10 0 BFAELO C[C@H]1C[C@H]1C[N@@H+]1CCCc2c(N)cccc21 ZINC000261740204 135249098 /nfs/dbraw/zinc/24/90/98/135249098.db2.gz IKDLJUXWLNGAED-QWRGUYRKSA-N 1 2 216.328 2.677 10 0 BFAELO C[C@H]1C[C@H]1C[N@H+]1CCCc2c(N)cccc21 ZINC000261740204 135249099 /nfs/dbraw/zinc/24/90/99/135249099.db2.gz IKDLJUXWLNGAED-QWRGUYRKSA-N 1 2 216.328 2.677 10 0 BFAELO CCc1noc(C[NH2+][C@@H](C)c2cccc(C)c2)n1 ZINC000650334679 398117491 /nfs/dbraw/zinc/11/74/91/398117491.db2.gz NDVGBBMAAVZGOK-NSHDSACASA-N 1 2 245.326 2.791 10 0 BFAELO CC(C)Oc1ccc([NH2+]C[C@@H]2CCOC2)cc1 ZINC000034957212 167296952 /nfs/dbraw/zinc/29/69/52/167296952.db2.gz PFOGKJXQDOQUQV-LBPRGKRZSA-N 1 2 235.327 2.922 10 0 BFAELO CC(C)[C@@H](C)[NH2+]c1ccc(-n2cncn2)cc1 ZINC000037768867 167386174 /nfs/dbraw/zinc/38/61/74/167386174.db2.gz KZTAKSQRLPAROE-LLVKDONJSA-N 1 2 230.315 2.724 10 0 BFAELO CC1CC[N@H+](Cc2ccccc2)CC1=O ZINC000100034028 168087572 /nfs/dbraw/zinc/08/75/72/168087572.db2.gz DGGRQTDQKJRVTJ-UHFFFAOYSA-N 1 2 203.285 2.724 10 0 BFAELO CC1CC[N@@H+](Cc2ccccc2)CC1=O ZINC000100034028 168087574 /nfs/dbraw/zinc/08/75/74/168087574.db2.gz DGGRQTDQKJRVTJ-UHFFFAOYSA-N 1 2 203.285 2.724 10 0 BFAELO CCCn1nc(C)c(-c2c[nH+]c(N)c(C)c2)c1C ZINC000129755656 411387874 /nfs/dbraw/zinc/38/78/74/411387874.db2.gz HUMGIMBNDMGGOZ-UHFFFAOYSA-N 1 2 244.342 2.863 10 0 BFAELO Cc1c[nH]c(CNc2cscc2C)[nH+]1 ZINC000657412606 411498352 /nfs/dbraw/zinc/49/83/52/411498352.db2.gz NQPAROFJQGWVOB-UHFFFAOYSA-N 1 2 207.302 2.700 10 0 BFAELO CC[C@@H]1C[C@@H](Nc2c[nH+]ccc2C)CCO1 ZINC000069891311 411507757 /nfs/dbraw/zinc/50/77/57/411507757.db2.gz MMTCCHLPAFUXCR-NWDGAFQWSA-N 1 2 220.316 2.760 10 0 BFAELO CCNc1cc(C)[nH+]c(Cc2ccccc2)n1 ZINC000050848711 170172013 /nfs/dbraw/zinc/17/20/13/170172013.db2.gz JOSNWNWYHVQHGK-UHFFFAOYSA-N 1 2 227.311 2.808 10 0 BFAELO CCNc1[nH+]c2cc(OC)ccc2cc1COC ZINC000050830439 170177682 /nfs/dbraw/zinc/17/76/82/170177682.db2.gz WHVIFMXONCDLIP-UHFFFAOYSA-N 1 2 246.310 2.822 10 0 BFAELO CCNc1[nH+]cccc1CSc1cnccn1 ZINC000104352771 170178522 /nfs/dbraw/zinc/17/85/22/170178522.db2.gz YZMYYBMSAQFSLE-UHFFFAOYSA-N 1 2 246.339 2.596 10 0 BFAELO CCOC(=[NH2+])c1cc2c(cc1OCC)C[C@@H](C)O2 ZINC000037928149 170180073 /nfs/dbraw/zinc/18/00/73/170180073.db2.gz MXHNYIBNYTZUQG-SECBINFHSA-N 1 2 249.310 2.771 10 0 BFAELO CCOC(=O)C[NH2+][C@H](c1ccc(C)cc1)C1CC1 ZINC000037395853 170227104 /nfs/dbraw/zinc/22/71/04/170227104.db2.gz LLBYFOOSEQOWEQ-OAHLLOKOSA-N 1 2 247.338 2.599 10 0 BFAELO CCOC(=O)Cn1c2ccccc2[nH+]c1C(C)C ZINC000040231406 170236684 /nfs/dbraw/zinc/23/66/84/170236684.db2.gz ZNLFXSVNIJTLTL-UHFFFAOYSA-N 1 2 246.310 2.723 10 0 BFAELO CCOC(=O)[C@@H]([NH2+][C@H](C)CC)c1ccc(C)cc1 ZINC000038067640 170255255 /nfs/dbraw/zinc/25/52/55/170255255.db2.gz OOYLWAXOCPKGRI-OCCSQVGLSA-N 1 2 249.354 2.987 10 0 BFAELO CCOC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(C)c(C)c1 ZINC000049367571 170268645 /nfs/dbraw/zinc/26/86/45/170268645.db2.gz HTICBOJKDSXIFX-STQMWFEESA-N 1 2 249.354 2.906 10 0 BFAELO CCOC(=O)[C@H]([NH2+][C@H](C)CC)c1ccc(C)cc1 ZINC000038067642 170277547 /nfs/dbraw/zinc/27/75/47/170277547.db2.gz OOYLWAXOCPKGRI-TZMCWYRMSA-N 1 2 249.354 2.987 10 0 BFAELO CC[C@H](C)C[S@@](=O)Cc1[nH+]ccn1C(C)C ZINC000133730770 171300166 /nfs/dbraw/zinc/30/01/66/171300166.db2.gz ARIDMPOKBMJATJ-ZBEGNZNMSA-N 1 2 242.388 2.759 10 0 BFAELO CC[C@H](C)[NH2+][C@H](C(=O)OC)c1ccc(C)cc1 ZINC000038066949 171347672 /nfs/dbraw/zinc/34/76/72/171347672.db2.gz OKADQGUPWHTIEL-AAEUAGOBSA-N 1 2 235.327 2.597 10 0 BFAELO CC[C@H](C)Oc1ccc(N)c2c[nH+]ccc12 ZINC000037715617 171355886 /nfs/dbraw/zinc/35/58/86/171355886.db2.gz LTWTXAWMWLADSN-VIFPVBQESA-N 1 2 216.284 2.994 10 0 BFAELO CCn1ccnc1[C@@H]([NH3+])c1ccc(Cl)s1 ZINC000051173287 172229528 /nfs/dbraw/zinc/22/95/28/172229528.db2.gz WUMOKUOOFKQYOJ-VIFPVBQESA-N 1 2 241.747 2.666 10 0 BFAELO CNc1cc(C)[nH+]c(-c2cccc(OC)c2)n1 ZINC000050848531 173472852 /nfs/dbraw/zinc/47/28/52/173472852.db2.gz CZRFXSWVBXIOPH-UHFFFAOYSA-N 1 2 229.283 2.502 10 0 BFAELO COCC[N@H+](CC(C)C)c1ccc(N)c(C)c1 ZINC000042370006 174288828 /nfs/dbraw/zinc/28/88/28/174288828.db2.gz WSMLAXSQPLFJSR-UHFFFAOYSA-N 1 2 236.359 2.686 10 0 BFAELO COCC[N@@H+](CC(C)C)c1ccc(N)c(C)c1 ZINC000042370006 174288829 /nfs/dbraw/zinc/28/88/29/174288829.db2.gz WSMLAXSQPLFJSR-UHFFFAOYSA-N 1 2 236.359 2.686 10 0 BFAELO COc1ccc(-c2[nH]c(C)c(C)[nH+]2)cc1 ZINC000039194330 175038388 /nfs/dbraw/zinc/03/83/88/175038388.db2.gz ZDPCMEFEPRRXLA-UHFFFAOYSA-N 1 2 202.257 2.702 10 0 BFAELO C[C@@H](c1cccs1)N(C)c1cc(CO)cc[nH+]1 ZINC000049728147 176032770 /nfs/dbraw/zinc/03/27/70/176032770.db2.gz UOMMKMSWLIZFMX-JTQLQIEISA-N 1 2 248.351 2.833 10 0 BFAELO C[C@@H]1CCCC[C@@H]1OCc1ccc[nH+]c1N ZINC000052754799 176082906 /nfs/dbraw/zinc/08/29/06/176082906.db2.gz QAISFIDFOLIAGO-PWSUYJOCSA-N 1 2 220.316 2.759 10 0 BFAELO C[C@@H]1CCCN1c1ccc2[nH+]cccc2c1N ZINC000037910191 176111554 /nfs/dbraw/zinc/11/15/54/176111554.db2.gz WAOXBGDVEWEZSP-SNVBAGLBSA-N 1 2 227.311 2.806 10 0 BFAELO C[C@H](c1ccccc1F)[N@H+](C)[C@@H]1CCCC1=O ZINC000062015763 177042070 /nfs/dbraw/zinc/04/20/70/177042070.db2.gz PFVBNDSTZKARFJ-ZWNOBZJWSA-N 1 2 235.302 2.940 10 0 BFAELO C[C@H](c1ccccc1F)[N@@H+](C)[C@@H]1CCCC1=O ZINC000062015763 177042071 /nfs/dbraw/zinc/04/20/71/177042071.db2.gz PFVBNDSTZKARFJ-ZWNOBZJWSA-N 1 2 235.302 2.940 10 0 BFAELO C[C@H]1CCCC[C@H]1N(C)c1cccc(CO)[nH+]1 ZINC000051042216 177087161 /nfs/dbraw/zinc/08/71/61/177087161.db2.gz OMASSKKSCJRDIV-WCQYABFASA-N 1 2 234.343 2.589 10 0 BFAELO C[C@H]1CCC[N@@H+]1CC(=O)c1c(F)cccc1F ZINC000037911673 177108816 /nfs/dbraw/zinc/10/88/16/177108816.db2.gz YKDLDNWCNDAYHP-VIFPVBQESA-N 1 2 239.265 2.632 10 0 BFAELO C[C@H]1CCC[N@H+]1CC(=O)c1c(F)cccc1F ZINC000037911673 177108817 /nfs/dbraw/zinc/10/88/17/177108817.db2.gz YKDLDNWCNDAYHP-VIFPVBQESA-N 1 2 239.265 2.632 10 0 BFAELO C[C@H]1CCC[N@@H+]1CC(=O)c1ccc(F)cc1F ZINC000037911511 177109430 /nfs/dbraw/zinc/10/94/30/177109430.db2.gz DZQJCVCISSOSFH-VIFPVBQESA-N 1 2 239.265 2.632 10 0 BFAELO C[C@H]1CCC[N@H+]1CC(=O)c1ccc(F)cc1F ZINC000037911511 177109432 /nfs/dbraw/zinc/10/94/32/177109432.db2.gz DZQJCVCISSOSFH-VIFPVBQESA-N 1 2 239.265 2.632 10 0 BFAELO C[C@H]1CCC[C@@H](N(C)c2[nH+]cccc2CO)C1 ZINC000042494295 177121208 /nfs/dbraw/zinc/12/12/08/177121208.db2.gz MKWDOGMANHGIGU-WCQYABFASA-N 1 2 234.343 2.589 10 0 BFAELO C[C@H]1C[N@H+](Cc2cccnc2Cl)CCS1 ZINC000122510733 177267293 /nfs/dbraw/zinc/26/72/93/177267293.db2.gz NCPOOVUZIJBFKR-VIFPVBQESA-N 1 2 242.775 2.672 10 0 BFAELO C[C@H]1C[N@@H+](Cc2cccnc2Cl)CCS1 ZINC000122510733 177267295 /nfs/dbraw/zinc/26/72/95/177267295.db2.gz NCPOOVUZIJBFKR-VIFPVBQESA-N 1 2 242.775 2.672 10 0 BFAELO C[C@H]1Cc2ccccc2N1Cc1ccc(N)[nH+]c1 ZINC000050793116 177390777 /nfs/dbraw/zinc/39/07/77/177390777.db2.gz BRQFLFCBERTPOI-NSHDSACASA-N 1 2 239.322 2.615 10 0 BFAELO CC[C@@H]([NH2+][C@@H](C(=O)OC)c1ccccc1)C(C)C ZINC000050507326 322850365 /nfs/dbraw/zinc/85/03/65/322850365.db2.gz TZHLTAQDIHENRN-ZIAGYGMSSA-N 1 2 249.354 2.925 10 0 BFAELO Clc1ncsc1[C@H]1[NH2+]CCc2occc21 ZINC000713481619 582478757 /nfs/dbraw/zinc/47/87/57/582478757.db2.gz DOWXDOFLJSFKOM-QMMMGPOBSA-N 1 2 240.715 2.625 10 0 BFAELO CSC[C@@H](C)[NH2+]c1ccc2c(c1)CCN2C ZINC000757126689 582501946 /nfs/dbraw/zinc/50/19/46/582501946.db2.gz GMUNXNCGHDLUQO-SNVBAGLBSA-N 1 2 236.384 2.842 10 0 BFAELO CC[C@@H]1CO[C@@H](C)CN1c1ccc([NH3+])cc1C ZINC000036131697 535843851 /nfs/dbraw/zinc/84/38/51/535843851.db2.gz AEAXDLSHJNDPJC-WCQYABFASA-N 1 2 234.343 2.581 10 0 BFAELO COc1ccccc1C[NH2+][C@H](C)c1ncc(C)o1 ZINC000220883074 537048890 /nfs/dbraw/zinc/04/88/90/537048890.db2.gz WSEITVPTBBUXKG-LLVKDONJSA-N 1 2 246.310 2.842 10 0 BFAELO CCC[C@H]1C[C@@H]1Nc1cc(CC)[nH+]cn1 ZINC000231662669 566313077 /nfs/dbraw/zinc/31/30/77/566313077.db2.gz BRQRUSWXSSMPTN-ONGXEEELSA-N 1 2 205.305 2.640 10 0 BFAELO c1ccc2c(c1)[nH+]c1n2[C@H](C2CC2)CCN1 ZINC000232474326 566491015 /nfs/dbraw/zinc/49/10/15/566491015.db2.gz PUUGBOUUWVVFLB-NSHDSACASA-N 1 2 213.284 2.803 10 0 BFAELO CC[C@@H](COC)[NH2+]c1ccc2c(c1)CCN2C ZINC000757128290 582503505 /nfs/dbraw/zinc/50/35/05/582503505.db2.gz KDDQMVOBCYXBQO-LBPRGKRZSA-N 1 2 234.343 2.516 10 0 BFAELO C[C@@H]1C[C@@H](C)n2c3ccccc3[nH+]c2N1 ZINC000235380872 582571487 /nfs/dbraw/zinc/57/14/87/582571487.db2.gz YYMPUGYNFQCYPV-RKDXNWHRSA-N 1 2 201.273 2.801 10 0 BFAELO CCn1nc(-c2ccccc2)cc1C(=[NH2+])OC ZINC000409443948 582670973 /nfs/dbraw/zinc/67/09/73/582670973.db2.gz XEPIHQPFITWENI-UHFFFAOYSA-N 1 2 229.283 2.542 10 0 BFAELO Fc1ccc(Br)cc1-c1c[nH]c[nH+]1 ZINC000757565602 586461136 /nfs/dbraw/zinc/46/11/36/586461136.db2.gz GIOYOUFRDAWLEJ-UHFFFAOYSA-N 1 2 241.063 2.978 10 0 BFAELO CN(C)c1[nH+]c(C2CCCC2)nc2[nH]ccc21 ZINC000757568874 586462027 /nfs/dbraw/zinc/46/20/27/586462027.db2.gz RVSKYJMMVVQTTQ-UHFFFAOYSA-N 1 2 230.315 2.682 10 0 BFAELO O=Cc1ccccc1-c1cccc2[nH+]ccn21 ZINC000128047093 590884742 /nfs/dbraw/zinc/88/47/42/590884742.db2.gz DJSMEJIUCCLIRB-UHFFFAOYSA-N 1 2 222.247 2.814 10 0 BFAELO CC(C)[C@H]([NH3+])c1cc(Cl)c(O)cc1F ZINC000757132837 643258250 /nfs/dbraw/zinc/25/82/50/643258250.db2.gz MNMPWCVAUMSFOD-JTQLQIEISA-N 1 2 217.671 2.841 10 0 BFAELO CCC[N@@H+]1CCC(=O)C12CCC(F)(F)CC2 ZINC000685953917 538898628 /nfs/dbraw/zinc/89/86/28/538898628.db2.gz JPJZGHOJKZANED-UHFFFAOYSA-N 1 2 231.286 2.619 10 0 BFAELO CCC[N@H+]1CCC(=O)C12CCC(F)(F)CC2 ZINC000685953917 538898629 /nfs/dbraw/zinc/89/86/29/538898629.db2.gz JPJZGHOJKZANED-UHFFFAOYSA-N 1 2 231.286 2.619 10 0 BFAELO Cc1ccc([C@H](C)[NH2+]Cc2cc(C)on2)o1 ZINC000044296655 178031943 /nfs/dbraw/zinc/03/19/43/178031943.db2.gz KHSARIKORRPJPB-JTQLQIEISA-N 1 2 220.272 2.735 10 0 BFAELO Cc1ccc([C@@H](C)[NH2+]Cc2cc(C)on2)o1 ZINC000044296651 178038065 /nfs/dbraw/zinc/03/80/65/178038065.db2.gz KHSARIKORRPJPB-SNVBAGLBSA-N 1 2 220.272 2.735 10 0 BFAELO CCCc1[nH+]c2c(cc1CC)NCCC2 ZINC000536959712 398199516 /nfs/dbraw/zinc/19/95/16/398199516.db2.gz SLFOKQCFRWKHNU-UHFFFAOYSA-N 1 2 204.317 2.955 10 0 BFAELO Cc1cc(N)ccc1[N@@H+]1CCCSCC1 ZINC000058666264 178105570 /nfs/dbraw/zinc/10/55/70/178105570.db2.gz HAIRVULOQWDUJP-UHFFFAOYSA-N 1 2 222.357 2.521 10 0 BFAELO Cc1cc(N)ccc1[N@H+]1CCCSCC1 ZINC000058666264 178105571 /nfs/dbraw/zinc/10/55/71/178105571.db2.gz HAIRVULOQWDUJP-UHFFFAOYSA-N 1 2 222.357 2.521 10 0 BFAELO Cc1cc(N)cn2cc(-c3cccs3)[nH+]c12 ZINC000036241633 178108197 /nfs/dbraw/zinc/10/81/97/178108197.db2.gz QCTCMVLVAPJMOX-UHFFFAOYSA-N 1 2 229.308 2.953 10 0 BFAELO CC(C)n1cc[nH+]c1/C=C/Br ZINC000606282705 538929670 /nfs/dbraw/zinc/92/96/70/538929670.db2.gz SAAYYGRAFYBPSJ-ONEGZZNKSA-N 1 2 215.094 2.830 10 0 BFAELO Cc1cc(N[C@@H](C)c2ccco2)nc[nH+]1 ZINC000040727199 178179991 /nfs/dbraw/zinc/17/99/91/178179991.db2.gz VCWFDRLGSXJRPI-VIFPVBQESA-N 1 2 203.245 2.551 10 0 BFAELO Cc1cc(N[C@H]2CCOc3ccccc32)nc[nH+]1 ZINC000051986997 178189864 /nfs/dbraw/zinc/18/98/64/178189864.db2.gz QPWDHXYCIRFIIV-LBPRGKRZSA-N 1 2 241.294 2.721 10 0 BFAELO Cc1ccc(-c2nc(N)c3c([nH+]2)CCC3)cc1 ZINC000050844543 178335798 /nfs/dbraw/zinc/33/57/98/178335798.db2.gz BINMBGFSOJUMGD-UHFFFAOYSA-N 1 2 225.295 2.523 10 0 BFAELO [NH3+][C@H](c1cc(F)ccc1Cl)C(F)F ZINC000226551598 342814145 /nfs/dbraw/zinc/81/41/45/342814145.db2.gz RQBZJCNXSBVPPC-SSDOTTSWSA-N 1 2 209.598 2.744 10 0 BFAELO Cc1cc[nH+]c(N[C@@H]2CCC[C@H](O)C2)c1Cl ZINC000390511592 539022757 /nfs/dbraw/zinc/02/27/57/539022757.db2.gz ZUPYVZWRZSHKNZ-ZJUUUORDSA-N 1 2 240.734 2.759 10 0 BFAELO [NH3+][C@H](c1ccc(Cl)cc1F)C(F)F ZINC000229943369 342858043 /nfs/dbraw/zinc/85/80/43/342858043.db2.gz HHGUYGNNLPJVBA-SSDOTTSWSA-N 1 2 209.598 2.744 10 0 BFAELO CCc1[nH+]ccn1-c1nc(Cl)cs1 ZINC000165238979 342888184 /nfs/dbraw/zinc/88/81/84/342888184.db2.gz HCCZHXNJZRNART-UHFFFAOYSA-N 1 2 213.693 2.545 10 0 BFAELO Clc1csc(-n2c[nH+]c3c2CCCC3)n1 ZINC000165243304 342890120 /nfs/dbraw/zinc/89/01/20/342890120.db2.gz SFEMJTJWUSZLQY-UHFFFAOYSA-N 1 2 239.731 2.861 10 0 BFAELO CC(C)(C)c1ccc(Cn2cc[nH+]c2)cc1N ZINC000034763310 398343543 /nfs/dbraw/zinc/34/35/43/398343543.db2.gz YFGYQJWMHPMXSK-UHFFFAOYSA-N 1 2 229.327 2.811 10 0 BFAELO Nc1[nH+]cc(C2CC2)cc1C(F)(F)F ZINC000584880631 343081100 /nfs/dbraw/zinc/08/11/00/343081100.db2.gz GAZXXVFVZZHSCA-UHFFFAOYSA-N 1 2 202.179 2.560 10 0 BFAELO Cc1c2[nH+]c[nH]c2cc(Br)c1C ZINC000082360973 187242889 /nfs/dbraw/zinc/24/28/89/187242889.db2.gz QHHGDQJMMRUHTO-UHFFFAOYSA-N 1 2 225.089 2.942 10 0 BFAELO Cc1c2[nH]c[nH+]c2cc(Br)c1C ZINC000082360973 187242891 /nfs/dbraw/zinc/24/28/91/187242891.db2.gz QHHGDQJMMRUHTO-UHFFFAOYSA-N 1 2 225.089 2.942 10 0 BFAELO Nc1cc[nH+]c(Oc2cccc(F)c2)c1 ZINC000043569415 343172653 /nfs/dbraw/zinc/17/26/53/343172653.db2.gz JFJGMRVPSYTFPN-UHFFFAOYSA-N 1 2 204.204 2.595 10 0 BFAELO [NH3+][C@@H](c1ccco1)c1ccc(Br)o1 ZINC000043606765 343263934 /nfs/dbraw/zinc/26/39/34/343263934.db2.gz XEJFVMZBQGDAAB-VIFPVBQESA-N 1 2 242.072 2.683 10 0 BFAELO C[C@@H]([NH2+]c1ccc(N(C)C)cc1)C1CC1 ZINC000036335418 343316197 /nfs/dbraw/zinc/31/61/97/343316197.db2.gz OEFIXVXBYVWCCP-SNVBAGLBSA-N 1 2 204.317 2.963 10 0 BFAELO C[C@@H](Nc1ccc([NH+](C)C)cc1)C1CC1 ZINC000036335418 343316199 /nfs/dbraw/zinc/31/61/99/343316199.db2.gz OEFIXVXBYVWCCP-SNVBAGLBSA-N 1 2 204.317 2.963 10 0 BFAELO CC(C)[C@H](C)[NH2+]c1ccc(-n2cncn2)cc1 ZINC000037768868 187260383 /nfs/dbraw/zinc/26/03/83/187260383.db2.gz KZTAKSQRLPAROE-NSHDSACASA-N 1 2 230.315 2.724 10 0 BFAELO CCc1ccc(-n2cc[nH+]c2)c(CC)c1 ZINC000150121054 343467452 /nfs/dbraw/zinc/46/74/52/343467452.db2.gz XIAMMDAVBRBCOV-UHFFFAOYSA-N 1 2 200.285 2.997 10 0 BFAELO Brc1ccccc1[C@@H]1[NH2+]CCS1 ZINC000050522828 343616530 /nfs/dbraw/zinc/61/65/30/343616530.db2.gz LOFDXLRTOXUARD-SECBINFHSA-N 1 2 244.157 2.784 10 0 BFAELO Fc1cccc(Cl)c1[C@@H]1[NH2+]CCS1 ZINC000050522818 343782114 /nfs/dbraw/zinc/78/21/14/343782114.db2.gz OTQBKYZCYLLRBZ-SECBINFHSA-N 1 2 217.696 2.814 10 0 BFAELO Cc1cccn2cc(-c3cccnc3)[nH+]c12 ZINC000228018646 343793699 /nfs/dbraw/zinc/79/36/99/343793699.db2.gz OBFUSBVUXUIWQV-UHFFFAOYSA-N 1 2 209.252 2.705 10 0 BFAELO Cc1nc(C[NH+](C)C)nc(Cl)c1C(C)C ZINC000085792349 344209266 /nfs/dbraw/zinc/20/92/66/344209266.db2.gz JXMWGNOWYRVEBY-UHFFFAOYSA-N 1 2 227.739 2.623 10 0 BFAELO Clc1cc(Cl)c(C[NH+]2CCCC2)cn1 ZINC000165987575 344268294 /nfs/dbraw/zinc/26/82/94/344268294.db2.gz IEAPEVFPBDAILJ-UHFFFAOYSA-N 1 2 231.126 2.984 10 0 BFAELO CC[C@@H]([NH2+][C@@H]1CCCc2ccccc21)C(=O)OC ZINC000105993824 344472824 /nfs/dbraw/zinc/47/28/24/344472824.db2.gz QCMQDZGSJYQVOS-ZIAGYGMSSA-N 1 2 247.338 2.605 10 0 BFAELO Cc1noc([C@@H](C)[NH2+][C@H](C)c2cccs2)n1 ZINC000309424784 347059782 /nfs/dbraw/zinc/05/97/82/347059782.db2.gz KGMCHHCKZXZAQT-HTQZYQBOSA-N 1 2 237.328 2.851 10 0 BFAELO C[C@H]1CS[C@@H](c2occc2Br)[NH2+]1 ZINC000235672380 345006604 /nfs/dbraw/zinc/00/66/04/345006604.db2.gz QFTYTYSKGANROC-XNCJUZBTSA-N 1 2 248.145 2.766 10 0 BFAELO C[C@@H]1CCCn2cc(-c3ccncc3)[nH+]c21 ZINC000258302625 345783821 /nfs/dbraw/zinc/78/38/21/345783821.db2.gz JKKKROUMLNQGIX-SNVBAGLBSA-N 1 2 213.284 2.842 10 0 BFAELO CCc1c[nH+]c(CCOCc2ccccc2)[nH]1 ZINC000143497410 345866379 /nfs/dbraw/zinc/86/63/79/345866379.db2.gz RMULCPDGOFWUJG-UHFFFAOYSA-N 1 2 230.311 2.731 10 0 BFAELO [NH3+][C@@H](c1ccc(Cl)cc1F)C(F)F ZINC000229943363 346482802 /nfs/dbraw/zinc/48/28/02/346482802.db2.gz HHGUYGNNLPJVBA-ZETCQYMHSA-N 1 2 209.598 2.744 10 0 BFAELO CCn1cc[nH+]c1C[S@](=O)c1ccc(C)cc1 ZINC000177291379 346595368 /nfs/dbraw/zinc/59/53/68/346595368.db2.gz ABQOFGSIUQECHS-KRWDZBQOSA-N 1 2 248.351 2.519 10 0 BFAELO C[NH2+][C@@H](c1cnsn1)c1ccc(Cl)s1 ZINC000164704705 346618113 /nfs/dbraw/zinc/61/81/13/346618113.db2.gz BAGGNKACLNJNLN-QMMMGPOBSA-N 1 2 245.760 2.562 10 0 BFAELO CN(C)c1[nH+]cccc1NCc1ccccc1 ZINC000037028779 348010034 /nfs/dbraw/zinc/01/00/34/348010034.db2.gz ITCPYYVWAKPGLA-UHFFFAOYSA-N 1 2 227.311 2.760 10 0 BFAELO CCc1c(C)[nH+]c2c(Br)cccn12 ZINC000228026596 350086469 /nfs/dbraw/zinc/08/64/69/350086469.db2.gz NQAGORRBTFKZSF-UHFFFAOYSA-N 1 2 239.116 2.968 10 0 BFAELO Cc1nc([C@H]([NH3+])c2csc3ccccc23)no1 ZINC000054465689 180055341 /nfs/dbraw/zinc/05/53/41/180055341.db2.gz QTJZVDKCWAOYRH-LLVKDONJSA-N 1 2 245.307 2.641 10 0 BFAELO Cc1[nH+]c2ccccc2n1[C@H]1CCCC[C@H]1O ZINC000037490617 180102512 /nfs/dbraw/zinc/10/25/12/180102512.db2.gz LRVBFAPDHDFBGX-UONOGXRCSA-N 1 2 230.311 2.821 10 0 BFAELO Cc1[nH+]cccc1N[C@@H]1CCCc2c1cnn2C ZINC000091495554 180226874 /nfs/dbraw/zinc/22/68/74/180226874.db2.gz ZWBSFLIWKRMIJE-CYBMUJFWSA-N 1 2 242.326 2.613 10 0 BFAELO Cc1[nH+]cnc(N)c1-c1ccc(Cl)cc1 ZINC000001745748 180291347 /nfs/dbraw/zinc/29/13/47/180291347.db2.gz UVLCSOKOFOZRSP-UHFFFAOYSA-N 1 2 219.675 2.688 10 0 BFAELO C[NH+](C)c1ccc(NC/C=C\Cl)cc1 ZINC000308409175 350698970 /nfs/dbraw/zinc/69/89/70/350698970.db2.gz DIXUSOBPRUOURW-BAQGIRSFSA-N 1 2 210.708 2.917 10 0 BFAELO CC(C)(C)[N@@H+]1CCCCC[C@@H]1c1nc[nH]n1 ZINC000616605225 350794021 /nfs/dbraw/zinc/79/40/21/350794021.db2.gz IRZPLYSXUMOZOB-SNVBAGLBSA-N 1 2 222.336 2.520 10 0 BFAELO CC(C)(C)[N@H+]1CCCCC[C@@H]1c1nc[nH]n1 ZINC000616605225 350794024 /nfs/dbraw/zinc/79/40/24/350794024.db2.gz IRZPLYSXUMOZOB-SNVBAGLBSA-N 1 2 222.336 2.520 10 0 BFAELO CC(C)(C)[N@@H+]1CCCCC[C@@H]1c1cn[nH]n1 ZINC000616605945 350796290 /nfs/dbraw/zinc/79/62/90/350796290.db2.gz RYTHDIDHCVLCLH-LLVKDONJSA-N 1 2 222.336 2.520 10 0 BFAELO CC(C)(C)[N@H+]1CCCCC[C@@H]1c1cn[nH]n1 ZINC000616605945 350796292 /nfs/dbraw/zinc/79/62/92/350796292.db2.gz RYTHDIDHCVLCLH-LLVKDONJSA-N 1 2 222.336 2.520 10 0 BFAELO Cc1csc([C@H]2[NH2+][C@@H](C)CCS2)n1 ZINC000159621724 350955280 /nfs/dbraw/zinc/95/52/80/350955280.db2.gz SVOJUVBHTGDXOU-XPUUQOCRSA-N 1 2 214.359 2.565 10 0 BFAELO Cc1csc([C@H]2[NH2+]CC[C@H](C)S2)n1 ZINC000159622547 350955851 /nfs/dbraw/zinc/95/58/51/350955851.db2.gz JXDBVBVSIVNYGT-YUMQZZPRSA-N 1 2 214.359 2.565 10 0 BFAELO CCN1C[C@H](n2cc[nH+]c2)Cc2ccccc21 ZINC000616670731 351230753 /nfs/dbraw/zinc/23/07/53/351230753.db2.gz NUKUFENFGZCJLL-CYBMUJFWSA-N 1 2 227.311 2.507 10 0 BFAELO CCN1CC[C@H](n2cc[nH+]c2)c2ccccc21 ZINC000616675677 351243057 /nfs/dbraw/zinc/24/30/57/351243057.db2.gz OFSNYHIEXQRKSK-AWEZNQCLSA-N 1 2 227.311 2.703 10 0 BFAELO CC(C)N1C[C@H](c2c[nH+]c[nH]2)Nc2ccccc21 ZINC000616684373 351255028 /nfs/dbraw/zinc/25/50/28/351255028.db2.gz YSHZCJMOVYZSEX-CYBMUJFWSA-N 1 2 242.326 2.791 10 0 BFAELO CC(C)N1C[C@H](c2c[nH]c[nH+]2)Nc2ccccc21 ZINC000616684373 351255032 /nfs/dbraw/zinc/25/50/32/351255032.db2.gz YSHZCJMOVYZSEX-CYBMUJFWSA-N 1 2 242.326 2.791 10 0 BFAELO Nc1cc([C@@H]2CCc3ccccc3N2)cc[nH+]1 ZINC000616665909 351224116 /nfs/dbraw/zinc/22/41/16/351224116.db2.gz CICKMCOBUFYIMX-ZDUSSCGKSA-N 1 2 225.295 2.594 10 0 BFAELO Cc1cnc([C@H]2[NH2+][C@@H](C)CCS2)s1 ZINC000307028719 351430859 /nfs/dbraw/zinc/43/08/59/351430859.db2.gz NCFVDXAJKUNNAV-RCOVLWMOSA-N 1 2 214.359 2.565 10 0 BFAELO Cc1cc([C@@H]2[NH2+][C@@H](C)CCS2)sn1 ZINC000404439523 351450124 /nfs/dbraw/zinc/45/01/24/351450124.db2.gz ITCJOCNKIKGBRV-IMTBSYHQSA-N 1 2 214.359 2.565 10 0 BFAELO Cc1cscc1Nc1ccc(N)[nH+]c1 ZINC000307216724 351617037 /nfs/dbraw/zinc/61/70/37/351617037.db2.gz UIKNYSHCAWAMFN-UHFFFAOYSA-N 1 2 205.286 2.777 10 0 BFAELO CC[C@H]1CS[C@H](c2ncc(C)s2)[NH2+]1 ZINC000307219852 351620555 /nfs/dbraw/zinc/62/05/55/351620555.db2.gz HJNDOEROCWSONN-IONNQARKSA-N 1 2 214.359 2.565 10 0 BFAELO Cc1ccc(Cl)c([C@H]([NH3+])C(F)F)c1 ZINC000307371733 352469819 /nfs/dbraw/zinc/46/98/19/352469819.db2.gz UEIMUMMRTGBXCU-QMMMGPOBSA-N 1 2 205.635 2.913 10 0 BFAELO Cn1cc[nH+]c1-c1ccccc1Br ZINC000082548665 188007859 /nfs/dbraw/zinc/00/78/59/188007859.db2.gz HBXXUQHCYFAVSC-UHFFFAOYSA-N 1 2 237.100 2.850 10 0 BFAELO CC(C)(C)c1ccc([C@@H](O)Cn2cc[nH+]c2)cc1 ZINC000027766134 188271203 /nfs/dbraw/zinc/27/12/03/188271203.db2.gz XVDCESAYHTYKTJ-AWEZNQCLSA-N 1 2 244.338 2.914 10 0 BFAELO CC(C)[C@H](C)Nc1ccc(N(C)C)[nH+]c1 ZINC000036989006 188279643 /nfs/dbraw/zinc/27/96/43/188279643.db2.gz LEVORQCWPHHGDO-JTQLQIEISA-N 1 2 207.321 2.604 10 0 BFAELO CNc1c[nH+]cc(OC2CC2)c1C(C)(C)C ZINC000095729880 188319828 /nfs/dbraw/zinc/31/98/28/188319828.db2.gz QBDXAMXUKQEIDL-UHFFFAOYSA-N 1 2 220.316 2.962 10 0 BFAELO Cc1cn2cc(C)cc(Br)c2[nH+]1 ZINC000082540026 188354446 /nfs/dbraw/zinc/35/44/46/188354446.db2.gz PUYCNLJKBFVUQK-UHFFFAOYSA-N 1 2 225.089 2.714 10 0 BFAELO Cc1cc(C)c(NC(=O)[C@@H]2CC[C@@H](C)O2)c(C)[nH+]1 ZINC000178306075 366113632 /nfs/dbraw/zinc/11/36/32/366113632.db2.gz CMPARJKEFADTKR-PWSUYJOCSA-N 1 2 248.326 2.513 10 0 BFAELO Cc1cc(C)c(NC(=O)[C@@H]2CC[C@H](C)O2)c(C)[nH+]1 ZINC000178306046 366113816 /nfs/dbraw/zinc/11/38/16/366113816.db2.gz CMPARJKEFADTKR-JQWIXIFHSA-N 1 2 248.326 2.513 10 0 BFAELO Cc1cnc([C@H](C)[NH2+]Cc2cnccc2C)o1 ZINC000230643199 357543592 /nfs/dbraw/zinc/54/35/92/357543592.db2.gz WOZNNCWAHDKHDM-NSHDSACASA-N 1 2 231.299 2.537 10 0 BFAELO COc1ccc2c3c1C=[NH+]CC[C@@H]3CCC2 ZINC000584643604 358328652 /nfs/dbraw/zinc/32/86/52/358328652.db2.gz PMHSUQJIQYKVGB-NSHDSACASA-N 1 2 215.296 2.938 10 0 BFAELO CCOC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(C)cc1C ZINC000049368218 358684341 /nfs/dbraw/zinc/68/43/41/358684341.db2.gz ZYNZWAVXELMVDQ-QWHCGFSZSA-N 1 2 249.354 2.906 10 0 BFAELO CCn1cc[nH+]c1CSc1ccc(O)cc1 ZINC000052345233 358780954 /nfs/dbraw/zinc/78/09/54/358780954.db2.gz WVJSETYMPFWCAG-UHFFFAOYSA-N 1 2 234.324 2.901 10 0 BFAELO Cc1cc[nH+]cc1N[C@H](C)c1ccccn1 ZINC000070957875 359067934 /nfs/dbraw/zinc/06/79/34/359067934.db2.gz WOQXNMYVWOGFPO-LLVKDONJSA-N 1 2 213.284 2.958 10 0 BFAELO Cc1cc[nH+]cc1N[C@@H]1CC[C@@H]1C1CC1 ZINC000309245305 491146659 /nfs/dbraw/zinc/14/66/59/491146659.db2.gz ZASPBQHFUBCEDG-VXGBXAGGSA-N 1 2 202.301 2.991 10 0 BFAELO c1csc(C2=CC[N@H+](Cc3cc[nH]n3)CC2)c1 ZINC000093533843 360255471 /nfs/dbraw/zinc/25/54/71/360255471.db2.gz PVMLLNVZVVWBLC-UHFFFAOYSA-N 1 2 245.351 2.761 10 0 BFAELO c1csc(C2=CC[N@@H+](Cc3cc[nH]n3)CC2)c1 ZINC000093533843 360255477 /nfs/dbraw/zinc/25/54/77/360255477.db2.gz PVMLLNVZVVWBLC-UHFFFAOYSA-N 1 2 245.351 2.761 10 0 BFAELO Cc1ccc(C[N@H+]2[C@H](C)COC[C@@H]2C)cc1F ZINC000093607502 360264466 /nfs/dbraw/zinc/26/44/66/360264466.db2.gz HZIZBGPHOKFJOR-TXEJJXNPSA-N 1 2 237.318 2.743 10 0 BFAELO Cc1ccc(C[N@@H+]2[C@H](C)COC[C@@H]2C)cc1F ZINC000093607502 360264468 /nfs/dbraw/zinc/26/44/68/360264468.db2.gz HZIZBGPHOKFJOR-TXEJJXNPSA-N 1 2 237.318 2.743 10 0 BFAELO CC1(C)C[NH+](Cc2coc(Br)c2)C1 ZINC000306610529 360615362 /nfs/dbraw/zinc/61/53/62/360615362.db2.gz AMUHLRJCDRWGRI-UHFFFAOYSA-N 1 2 244.132 2.884 10 0 BFAELO Cc1cc(C)c2c(-c3ccccc3)[nH+]c(N)n2n1 ZINC000036138848 360648126 /nfs/dbraw/zinc/64/81/26/360648126.db2.gz SEDWZPMEIRPHII-UHFFFAOYSA-N 1 2 238.294 2.595 10 0 BFAELO NC(=S)c1cc[nH+]c(NCC2CCCCC2)c1 ZINC000037260025 181321326 /nfs/dbraw/zinc/32/13/26/181321326.db2.gz MOVADMQWFHZGFD-UHFFFAOYSA-N 1 2 249.383 2.708 10 0 BFAELO Cc1nccc([C@H](C)c2c[nH]c[nH+]2)c1C ZINC000068245900 370764137 /nfs/dbraw/zinc/76/41/37/370764137.db2.gz BXXFIFZBCTYMNJ-VIFPVBQESA-N 1 2 201.273 2.573 10 0 BFAELO Clc1ccc2[nH+]c3c(n2c1)CSCC3 ZINC000228012045 371975847 /nfs/dbraw/zinc/97/58/47/371975847.db2.gz WZWWQSNQHZUPCW-UHFFFAOYSA-N 1 2 224.716 2.777 10 0 BFAELO C[C@H](Nc1ccnc(Cl)c1)c1[nH]cc[nH+]1 ZINC000229340299 372143859 /nfs/dbraw/zinc/14/38/59/372143859.db2.gz FZBTZCXFUVYMCZ-ZETCQYMHSA-N 1 2 222.679 2.631 10 0 BFAELO CC(C)[N@@H+]1CCOC[C@H]1c1ccc(F)cc1 ZINC000141436164 372954178 /nfs/dbraw/zinc/95/41/78/372954178.db2.gz FTSUSYGLDLZEBB-ZDUSSCGKSA-N 1 2 223.291 2.607 10 0 BFAELO CC(C)[N@H+]1CCOC[C@H]1c1ccc(F)cc1 ZINC000141436164 372954185 /nfs/dbraw/zinc/95/41/85/372954185.db2.gz FTSUSYGLDLZEBB-ZDUSSCGKSA-N 1 2 223.291 2.607 10 0 BFAELO O=C(Cn1cc[nH+]c1)c1cccc2ccccc21 ZINC000005425600 182071115 /nfs/dbraw/zinc/07/11/15/182071115.db2.gz OQYTVTMYRAGJMK-UHFFFAOYSA-N 1 2 236.274 2.919 10 0 BFAELO CCn1cc[nH+]c1-c1ccc(C=O)c(F)c1 ZINC000069030749 373109250 /nfs/dbraw/zinc/10/92/50/373109250.db2.gz UTKHUSQTLJSLHN-UHFFFAOYSA-N 1 2 218.231 2.522 10 0 BFAELO [NH3+][C@@H](c1ccoc1)c1occc1Br ZINC000069946489 374099117 /nfs/dbraw/zinc/09/91/17/374099117.db2.gz GJFMYUOTIJTXET-QMMMGPOBSA-N 1 2 242.072 2.683 10 0 BFAELO Cc1cc(O)ccc1[NH2+][C@@H]1CCSC1 ZINC000070634873 374168070 /nfs/dbraw/zinc/16/80/70/374168070.db2.gz NEOUTYZJZTYQIG-SECBINFHSA-N 1 2 209.314 2.618 10 0 BFAELO OCc1ccc(Oc2ccc3[nH]c[nH+]c3c2)cc1 ZINC000089195156 183166108 /nfs/dbraw/zinc/16/61/08/183166108.db2.gz FVRZPHFOTLADQG-UHFFFAOYSA-N 1 2 240.262 2.848 10 0 BFAELO O[C@@H]1CCC[C@@H]1CNc1ccc2ccccc2[nH+]1 ZINC000089166926 183195320 /nfs/dbraw/zinc/19/53/20/183195320.db2.gz RCEFVSRSZMUCME-TZMCWYRMSA-N 1 2 242.322 2.808 10 0 BFAELO c1cc(CNc2ccc(N3CCCC3)[nH+]c2)c[nH]1 ZINC000090994428 183353967 /nfs/dbraw/zinc/35/39/67/183353967.db2.gz VTEMDILDVMZUNS-UHFFFAOYSA-N 1 2 242.326 2.622 10 0 BFAELO c1c[nH+]c(CNc2cccc(N3CCCC3)c2)[nH]1 ZINC000049715532 183358286 /nfs/dbraw/zinc/35/82/86/183358286.db2.gz CEBGLXKMVQKMJP-UHFFFAOYSA-N 1 2 242.326 2.622 10 0 BFAELO CCC[NH2+][C@H](C(=O)OC)c1c(C)cc(C)cc1C ZINC000037513354 169284166 /nfs/dbraw/zinc/28/41/66/169284166.db2.gz SPEVJZXSYJGEFM-AWEZNQCLSA-N 1 2 249.354 2.826 10 0 BFAELO CCCOc1cc(N[C@H](C)COC)ccc1[NH3+] ZINC000104230732 169315863 /nfs/dbraw/zinc/31/58/63/169315863.db2.gz LTVCYHHRJQMWPX-SNVBAGLBSA-N 1 2 238.331 2.504 10 0 BFAELO CCCSC(=[NH2+])c1ccc(O)cc1O ZINC000039097088 169334958 /nfs/dbraw/zinc/33/49/58/169334958.db2.gz BRSRCAZIEGCMST-UHFFFAOYSA-N 1 2 211.286 2.566 10 0 BFAELO CCC[C@@H](C)c1nc([C@@H]2CCCC[NH2+]2)no1 ZINC000040443557 169375616 /nfs/dbraw/zinc/37/56/16/169375616.db2.gz CPZJAZNVPAJCCT-ZJUUUORDSA-N 1 2 223.320 2.788 10 0 BFAELO CCn1cc[nH+]c1CN(C)c1ccc(F)cc1 ZINC000195514933 259607720 /nfs/dbraw/zinc/60/77/20/259607720.db2.gz ABBQVBRLDCJXRL-UHFFFAOYSA-N 1 2 233.290 2.679 10 0 BFAELO C=COc1cc(C=O)ccc1-n1c[nH+]c(C)c1 ZINC000095938044 384417245 /nfs/dbraw/zinc/41/72/45/384417245.db2.gz NOZOLQQNLXLQFX-UHFFFAOYSA-N 1 2 228.251 2.516 10 0 BFAELO Nc1cc[nH+]c2c(Br)cc(F)cc12 ZINC000050844329 384496236 /nfs/dbraw/zinc/49/62/36/384496236.db2.gz VWKMEADFEAFVIN-UHFFFAOYSA-N 1 2 241.063 2.719 10 0 BFAELO Cc1cc[nH+]cc1N[C@@H]1CSC[C@@H]1C ZINC000295705582 384688610 /nfs/dbraw/zinc/68/86/10/384688610.db2.gz MQYJBNLIWQEHHY-GXSJLCMTSA-N 1 2 208.330 2.553 10 0 BFAELO CC(C)n1cc[nH+]c1CSC[C@H]1CCCO1 ZINC000175283098 384890892 /nfs/dbraw/zinc/89/08/92/384890892.db2.gz VQBSXKFYZVFJSH-LLVKDONJSA-N 1 2 240.372 2.876 10 0 BFAELO CC[C@H]([NH2+][C@@H]1CCCc2ccccc21)C(=O)OC ZINC000105993821 384895522 /nfs/dbraw/zinc/89/55/22/384895522.db2.gz QCMQDZGSJYQVOS-UONOGXRCSA-N 1 2 247.338 2.605 10 0 BFAELO CC[C@H]([NH2+][C@@H](C)c1ccccc1C)C(=O)OC ZINC000105994059 384896385 /nfs/dbraw/zinc/89/63/85/384896385.db2.gz FKKPFKKUERUPGQ-AAEUAGOBSA-N 1 2 235.327 2.597 10 0 BFAELO CC(C)CNc1cc(N2CCC[C@H](C)C2)nc[nH+]1 ZINC000244153680 384918351 /nfs/dbraw/zinc/91/83/51/384918351.db2.gz UWKDBASKUJUPEY-LBPRGKRZSA-N 1 2 248.374 2.781 10 0 BFAELO CC(C)CNc1cc(N2CCC[C@H](C)C2)[nH+]cn1 ZINC000244153680 384918363 /nfs/dbraw/zinc/91/83/63/384918363.db2.gz UWKDBASKUJUPEY-LBPRGKRZSA-N 1 2 248.374 2.781 10 0 BFAELO Nc1[nH+]cccc1OCCCc1ccccc1 ZINC000020483719 384994231 /nfs/dbraw/zinc/99/42/31/384994231.db2.gz UFOCIKDXQGUYNX-UHFFFAOYSA-N 1 2 228.295 2.675 10 0 BFAELO C[C@@H]1OCC[C@@H]1Nc1cc(C(F)(F)F)cc[nH+]1 ZINC000150068509 384961517 /nfs/dbraw/zinc/96/15/17/384961517.db2.gz VWVXOQSHFFBFQO-CBAPKCEASA-N 1 2 246.232 2.690 10 0 BFAELO CC(C)c1ccc([C@H](C)[NH2+]Cc2c[nH]nn2)cc1 ZINC000398343681 385202242 /nfs/dbraw/zinc/20/22/42/385202242.db2.gz OHTPALIZIJCNPS-NSHDSACASA-N 1 2 244.342 2.779 10 0 BFAELO CC(C)c1ccc([C@H](C)[NH2+]Cc2cn[nH]n2)cc1 ZINC000398343681 385202247 /nfs/dbraw/zinc/20/22/47/385202247.db2.gz OHTPALIZIJCNPS-NSHDSACASA-N 1 2 244.342 2.779 10 0 BFAELO CC(C)c1ccc([C@@H](C)[NH2+]Cc2c[nH]nn2)cc1 ZINC000398343680 385200365 /nfs/dbraw/zinc/20/03/65/385200365.db2.gz OHTPALIZIJCNPS-LLVKDONJSA-N 1 2 244.342 2.779 10 0 BFAELO CC(C)c1ccc([C@@H](C)[NH2+]Cc2cn[nH]n2)cc1 ZINC000398343680 385200371 /nfs/dbraw/zinc/20/03/71/385200371.db2.gz OHTPALIZIJCNPS-LLVKDONJSA-N 1 2 244.342 2.779 10 0 BFAELO Cc1nnc(C[NH2+][C@@H](C)c2ccccc2C)o1 ZINC000181060829 385562287 /nfs/dbraw/zinc/56/22/87/385562287.db2.gz ZIZXRXJDVKIIDY-JTQLQIEISA-N 1 2 231.299 2.537 10 0 BFAELO CC[C@H](Nc1ccc(C)[nH+]c1)c1cnn(C)c1 ZINC000182908000 385720747 /nfs/dbraw/zinc/72/07/47/385720747.db2.gz MKNRILMHTPGGOS-ZDUSSCGKSA-N 1 2 230.315 2.687 10 0 BFAELO CCOc1ccccc1[C@H](C)[NH2+]Cc1c[nH]cn1 ZINC000112344592 385839479 /nfs/dbraw/zinc/83/94/79/385839479.db2.gz OJUZRDBKFAGPNS-NSHDSACASA-N 1 2 245.326 2.659 10 0 BFAELO CC(C)(C)OC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000299890150 386498341 /nfs/dbraw/zinc/49/83/41/386498341.db2.gz UVDOKIIGYGERQT-UHFFFAOYSA-N 1 2 244.294 2.828 10 0 BFAELO CCCOc1cc(N)c2ccccc2[nH+]1 ZINC000238268352 387031870 /nfs/dbraw/zinc/03/18/70/387031870.db2.gz RSWHMXXCBSUOOE-UHFFFAOYSA-N 1 2 202.257 2.606 10 0 BFAELO CCOC(=O)[C@@H](CC)[NH2+][C@@H](C)c1ccccc1C ZINC000084102369 387434549 /nfs/dbraw/zinc/43/45/49/387434549.db2.gz SRWZXDUNOKLBJJ-GXTWGEPZSA-N 1 2 249.354 2.987 10 0 BFAELO CSc1ccc2c(c1)N(Cc1c[nH+]c[nH]1)CC2 ZINC000034894287 387437186 /nfs/dbraw/zinc/43/71/86/387437186.db2.gz NBVVJPJJUKTPQD-UHFFFAOYSA-N 1 2 245.351 2.694 10 0 BFAELO CSc1ccc2c(c1)N(Cc1c[nH]c[nH+]1)CC2 ZINC000034894287 387437190 /nfs/dbraw/zinc/43/71/90/387437190.db2.gz NBVVJPJJUKTPQD-UHFFFAOYSA-N 1 2 245.351 2.694 10 0 BFAELO c1nc([C@@H]2CCCC[N@H+]2CC2CCCC2)n[nH]1 ZINC000121827291 387420166 /nfs/dbraw/zinc/42/01/66/387420166.db2.gz RKQUSXRENFKNJT-LBPRGKRZSA-N 1 2 234.347 2.522 10 0 BFAELO c1nc([C@@H]2CCCC[N@@H+]2CC2CCCC2)n[nH]1 ZINC000121827291 387420168 /nfs/dbraw/zinc/42/01/68/387420168.db2.gz RKQUSXRENFKNJT-LBPRGKRZSA-N 1 2 234.347 2.522 10 0 BFAELO Cc1ccc([C@H](C)[NH2+]Cc2cnc(C)cn2)o1 ZINC000061319948 387842387 /nfs/dbraw/zinc/84/23/87/387842387.db2.gz YQELCDZIVNJBAO-NSHDSACASA-N 1 2 231.299 2.537 10 0 BFAELO COC(=O)[C@H]([NH2+][C@H](C)[C@@H]1C[C@@H]1C)c1ccccc1 ZINC000321067378 387943328 /nfs/dbraw/zinc/94/33/28/387943328.db2.gz NBBUUECKJRXCDO-OIMNJJJWSA-N 1 2 247.338 2.535 10 0 BFAELO Cc1cnc([C@@H](C)[NH2+]Cc2ccnn2C(C)C)o1 ZINC000337201672 388849686 /nfs/dbraw/zinc/84/96/86/388849686.db2.gz GECPBWIVLUUHLU-LLVKDONJSA-N 1 2 248.330 2.611 10 0 BFAELO Cc1ccc2c(c1)CCC[N@H+]2CCCC(N)=S ZINC000019423303 132324810 /nfs/dbraw/zinc/32/48/10/132324810.db2.gz HEXKKKBOLPKLFH-UHFFFAOYSA-N 1 2 248.395 2.814 10 0 BFAELO Cc1ccc2c(c1)CCC[N@@H+]2CCCC(N)=S ZINC000019423303 132324811 /nfs/dbraw/zinc/32/48/11/132324811.db2.gz HEXKKKBOLPKLFH-UHFFFAOYSA-N 1 2 248.395 2.814 10 0 BFAELO CC(C)n1cc[nH+]c1C[S@@](=O)c1ccccc1 ZINC000177071145 134297071 /nfs/dbraw/zinc/29/70/71/134297071.db2.gz PKTNDRWLPLYAKJ-QGZVFWFLSA-N 1 2 248.351 2.772 10 0 BFAELO Cc1cnc([C@H](C)[NH2+]Cc2cccc(F)c2)o1 ZINC000220905382 134315250 /nfs/dbraw/zinc/31/52/50/134315250.db2.gz OKRNDDHHAQNVJL-JTQLQIEISA-N 1 2 234.274 2.973 10 0 BFAELO C[C@H]1COC[C@H](C)[NH+]1Cc1cccc(Cl)c1 ZINC000077368250 135062714 /nfs/dbraw/zinc/06/27/14/135062714.db2.gz ZBNLADPFKOQBGQ-QWRGUYRKSA-N 1 2 239.746 2.949 10 0 BFAELO Cc1cc[nH+]cc1N[C@H]1CS[C@@H](C)C1 ZINC000086935984 487587312 /nfs/dbraw/zinc/58/73/12/487587312.db2.gz SAAXNXHGCXVINP-VHSXEESVSA-N 1 2 208.330 2.696 10 0 BFAELO C[C@H]([NH2+]Cc1nnc(C2CC2)o1)c1cccs1 ZINC000680405279 487588465 /nfs/dbraw/zinc/58/84/65/487588465.db2.gz VVYSJFJBRSCLQK-QMMMGPOBSA-N 1 2 249.339 2.859 10 0 BFAELO Brc1cc2[nH+]cn3c2c(c1)CCC3 ZINC000082587482 166096477 /nfs/dbraw/zinc/09/64/77/166096477.db2.gz FBKUVHXRMSDEDU-UHFFFAOYSA-N 1 2 237.100 2.745 10 0 BFAELO CC(C)[NH2+]Cc1noc(C[C@@H](C)C(C)(C)C)n1 ZINC000104449055 167123709 /nfs/dbraw/zinc/12/37/09/167123709.db2.gz QZISJSDJNXEZFT-SNVBAGLBSA-N 1 2 239.363 2.792 10 0 BFAELO CC1(CNc2cc[nH+]c(C(N)=S)c2)CCCC1 ZINC000104449748 168048620 /nfs/dbraw/zinc/04/86/20/168048620.db2.gz QMDFQSSRBUBCMS-UHFFFAOYSA-N 1 2 249.383 2.708 10 0 BFAELO CC[NH2+]C(C)(C)C(=O)O[C@@H](C)c1ccccc1 ZINC000061171966 170107488 /nfs/dbraw/zinc/10/74/88/170107488.db2.gz RZSPSXLDTQYWST-NSHDSACASA-N 1 2 235.327 2.679 10 0 BFAELO CC[NH2+][C@@](CC)(C(=O)OC)c1ccc(CC)cc1 ZINC000037446619 170155204 /nfs/dbraw/zinc/15/52/04/170155204.db2.gz AOWOLADTFSDSGT-OAHLLOKOSA-N 1 2 249.354 2.637 10 0 BFAELO CCNc1cc(C2CC2)[nH+]c(C[C@@H]2CCCO2)n1 ZINC000103955592 170172072 /nfs/dbraw/zinc/17/20/72/170172072.db2.gz WKVZBUPDGFXDRE-NSHDSACASA-N 1 2 247.342 2.507 10 0 BFAELO CCOC(=[NH2+])Cc1ccccc1OCC ZINC000039099528 170179869 /nfs/dbraw/zinc/17/98/69/170179869.db2.gz LMHXMONMPVQBDK-UHFFFAOYSA-N 1 2 207.273 2.642 10 0 BFAELO CCOC(=[NH2+])c1ccc2ncsc2c1 ZINC000211757483 170180522 /nfs/dbraw/zinc/18/05/22/170180522.db2.gz BMBAXGIFCKGMED-UHFFFAOYSA-N 1 2 206.270 2.658 10 0 BFAELO CCOC(=O)C[NH2+][C@@H](C)c1ccc(C)cc1C ZINC000037563605 170226321 /nfs/dbraw/zinc/22/63/21/170226321.db2.gz CKYMOJHEJDKOPA-LBPRGKRZSA-N 1 2 235.327 2.517 10 0 BFAELO CCOC(=O)c1c[nH+]c2ccc(C)cc2c1NC ZINC000040175701 170302478 /nfs/dbraw/zinc/30/24/78/170302478.db2.gz GPRHKELXTQWEIA-UHFFFAOYSA-N 1 2 244.294 2.762 10 0 BFAELO CC[C@@H]1C[NH2+]c2c(cc(OC)cc2OC)C1 ZINC000011633287 171102955 /nfs/dbraw/zinc/10/29/55/171102955.db2.gz LIKRILOKKNJIHJ-VIFPVBQESA-N 1 2 221.300 2.698 10 0 BFAELO CC[C@H](C)[NH2+][C@@H](C(=O)OC)c1ccc(C)cc1 ZINC000038066951 171345435 /nfs/dbraw/zinc/34/54/35/171345435.db2.gz OKADQGUPWHTIEL-WCQYABFASA-N 1 2 235.327 2.597 10 0 BFAELO CC[C@H](C)[NH2+][C@H](C(=O)OC)c1cc(C)ccc1C ZINC000049670964 171347216 /nfs/dbraw/zinc/34/72/16/171347216.db2.gz LKWWMXWBTBBDNM-JSGCOSHPSA-N 1 2 249.354 2.906 10 0 BFAELO CCc1[nH+]c(Cc2ccc(F)cc2)nc(N)c1C ZINC000104156138 171994194 /nfs/dbraw/zinc/99/41/94/171994194.db2.gz OUYCFSNPBJCJBH-UHFFFAOYSA-N 1 2 245.301 2.660 10 0 BFAELO CCc1[nH+]c2ccccc2n1C[C@@H](C)C(N)=S ZINC000057868045 172013408 /nfs/dbraw/zinc/01/34/08/172013408.db2.gz GHKDNKHYAZAZQO-SECBINFHSA-N 1 2 247.367 2.521 10 0 BFAELO CCc1nc(N)c(-c2ccccc2C)c[nH+]1 ZINC000061675408 172014782 /nfs/dbraw/zinc/01/47/82/172014782.db2.gz RXNSXTOBEHMFOQ-UHFFFAOYSA-N 1 2 213.284 2.597 10 0 BFAELO CCn1cc(Cn2cc[nH+]c2)c2ccccc21 ZINC000027096766 172178666 /nfs/dbraw/zinc/17/86/66/172178666.db2.gz KIIFZBAPVHIJQJ-UHFFFAOYSA-N 1 2 225.295 2.906 10 0 in-vivo BFAELO CCn1cc[nH+]c1CNc1cccnc1Cl ZINC000051922075 172226118 /nfs/dbraw/zinc/22/61/18/172226118.db2.gz MCDARDCDZSOHOM-UHFFFAOYSA-N 1 2 236.706 2.564 10 0 BFAELO CNc1ccc(OC2CC2)c(C(C)(C)C)[nH+]1 ZINC000095729900 173480060 /nfs/dbraw/zinc/48/00/60/173480060.db2.gz RXNSVJRXEJSWTJ-UHFFFAOYSA-N 1 2 220.316 2.962 10 0 BFAELO COc1ccc2[nH+]c(-c3ccc(O)cc3)cn2c1 ZINC000000337745 175226930 /nfs/dbraw/zinc/22/69/30/175226930.db2.gz ZHWJONXIBRILIF-UHFFFAOYSA-N 1 2 240.262 2.716 10 0 BFAELO C[C@@H](c1ccc(F)cc1)[N@@H+]1CCC(=O)C[C@H]1C ZINC000049713733 176016235 /nfs/dbraw/zinc/01/62/35/176016235.db2.gz OPPMFAUZEREVLI-MNOVXSKESA-N 1 2 235.302 2.940 10 0 BFAELO C[C@@H](c1ccc(F)cc1)[N@H+]1CCC(=O)C[C@H]1C ZINC000049713733 176016236 /nfs/dbraw/zinc/01/62/36/176016236.db2.gz OPPMFAUZEREVLI-MNOVXSKESA-N 1 2 235.302 2.940 10 0 BFAELO C[C@@H]1CCCC[C@H]1OCc1ccc(N)[nH+]c1 ZINC000050831669 176089962 /nfs/dbraw/zinc/08/99/62/176089962.db2.gz GTOAQFPNTYVFLS-ZYHUDNBSSA-N 1 2 220.316 2.759 10 0 BFAELO C[C@@H]1CCC[N@@H+](c2ccccc2C(N)=S)CC1 ZINC000104364719 176103696 /nfs/dbraw/zinc/10/36/96/176103696.db2.gz BCBQZIATFLXTTI-LLVKDONJSA-N 1 2 248.395 2.947 10 0 BFAELO C[C@@H]1CCC[N@H+](c2ccccc2C(N)=S)CC1 ZINC000104364719 176103697 /nfs/dbraw/zinc/10/36/97/176103697.db2.gz BCBQZIATFLXTTI-LLVKDONJSA-N 1 2 248.395 2.947 10 0 BFAELO C[C@@H]1CCC[N@@H+]1CC(=O)c1ccc(F)c(F)c1 ZINC000037911656 176109263 /nfs/dbraw/zinc/10/92/63/176109263.db2.gz SZTQEWQZRHNNKN-SECBINFHSA-N 1 2 239.265 2.632 10 0 BFAELO C[C@@H]1CCC[N@H+]1CC(=O)c1ccc(F)c(F)c1 ZINC000037911656 176109264 /nfs/dbraw/zinc/10/92/64/176109264.db2.gz SZTQEWQZRHNNKN-SECBINFHSA-N 1 2 239.265 2.632 10 0 BFAELO C[C@@H]1CCC[C@H](Nc2cc(C(N)=S)cc[nH+]2)C1 ZINC000037256830 176145378 /nfs/dbraw/zinc/14/53/78/176145378.db2.gz KCPBVTZZVLPXIK-KOLCDFICSA-N 1 2 249.383 2.706 10 0 BFAELO C[C@@H]1CCC[C@H](Oc2cc[nH+]cc2N)C1 ZINC000020507205 176146410 /nfs/dbraw/zinc/14/64/10/176146410.db2.gz SDFDXPASFVCIGQ-ZJUUUORDSA-N 1 2 206.289 2.621 10 0 BFAELO C[C@H](c1cccs1)N(C)c1ccc(CO)c[nH+]1 ZINC000049728169 177048886 /nfs/dbraw/zinc/04/88/86/177048886.db2.gz CCNHHAJYBCSIPS-SNVBAGLBSA-N 1 2 248.351 2.833 10 0 BFAELO C[C@H]1CCCN1c1ccc2[nH+]cccc2c1N ZINC000037910192 177111763 /nfs/dbraw/zinc/11/17/63/177111763.db2.gz WAOXBGDVEWEZSP-JTQLQIEISA-N 1 2 227.311 2.806 10 0 BFAELO C[C@H]1CCC[C@H](OCc2cc[nH+]c(N)c2)C1 ZINC000052755184 177138542 /nfs/dbraw/zinc/13/85/42/177138542.db2.gz QHGDOGWWEQMLPT-JQWIXIFHSA-N 1 2 220.316 2.759 10 0 BFAELO C[C@H]1COC[C@H](C)[NH+]1Cc1ccc(Cl)cc1 ZINC000120931087 177300141 /nfs/dbraw/zinc/30/01/41/177300141.db2.gz CSBGGRCPKJMVDF-QWRGUYRKSA-N 1 2 239.746 2.949 10 0 BFAELO C[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)[C@H](C)C1=O ZINC000068592844 177309218 /nfs/dbraw/zinc/30/92/18/177309218.db2.gz CZWYZABAEYBOPQ-FRRDWIJNSA-N 1 2 231.339 2.875 10 0 BFAELO C[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)[C@H](C)C1=O ZINC000068592844 177309219 /nfs/dbraw/zinc/30/92/19/177309219.db2.gz CZWYZABAEYBOPQ-FRRDWIJNSA-N 1 2 231.339 2.875 10 0 BFAELO C[C@@H]1C[C@H](C)C[N@H+]([C@@H](C[NH3+])c2ccsc2)C1 ZINC000022217578 177315749 /nfs/dbraw/zinc/31/57/49/177315749.db2.gz LMLUQUPBINJHET-LOWVWBTDSA-N 1 2 238.400 2.726 10 0 BFAELO C[C@H]1C[C@H]1CN(C)c1ccc2[nH+]cccc2c1N ZINC000104416362 177379099 /nfs/dbraw/zinc/37/90/99/177379099.db2.gz BGYQHFLAZFRYHM-QWRGUYRKSA-N 1 2 241.338 2.909 10 0 BFAELO CCC[C@H]1C[C@@H]1Nc1[nH+]cccc1OC ZINC000233447657 324095818 /nfs/dbraw/zinc/09/58/18/324095818.db2.gz TUZXDBJUNATQGN-UWVGGRQHSA-N 1 2 206.289 2.691 10 0 BFAELO CCCn1nc(C)c(-c2ccc[nH+]c2N)c1C ZINC000088446930 490121409 /nfs/dbraw/zinc/12/14/09/490121409.db2.gz SZPPBCXVLHUYQV-UHFFFAOYSA-N 1 2 230.315 2.554 10 0 BFAELO BrC1=CC[N@H+](Cc2ccccc2)C1 ZINC000584645372 490182613 /nfs/dbraw/zinc/18/26/13/490182613.db2.gz LUPFWNCYVRLGTK-UHFFFAOYSA-N 1 2 238.128 2.781 10 0 BFAELO BrC1=CC[N@@H+](Cc2ccccc2)C1 ZINC000584645372 490182619 /nfs/dbraw/zinc/18/26/19/490182619.db2.gz LUPFWNCYVRLGTK-UHFFFAOYSA-N 1 2 238.128 2.781 10 0 BFAELO Cc1cc(Cn2cc[nH+]c2)ccc1Cl ZINC000757148045 582531856 /nfs/dbraw/zinc/53/18/56/582531856.db2.gz VWPDVIDRIOSCFZ-UHFFFAOYSA-N 1 2 206.676 2.893 10 0 BFAELO C[NH+](C)[C@H](CO)c1c(Cl)cccc1Cl ZINC000095532635 522089163 /nfs/dbraw/zinc/08/91/63/522089163.db2.gz ZNBGRGASMLEDCN-SECBINFHSA-N 1 2 234.126 2.588 10 0 BFAELO Cc1n[nH]cc1[C@H](C)Nc1ccc(C)[nH+]c1 ZINC000134606830 566328890 /nfs/dbraw/zinc/32/88/90/566328890.db2.gz WBWLFTWJARDROE-VIFPVBQESA-N 1 2 216.288 2.595 10 0 BFAELO FC(F)[C@H]1CCNc2[nH+]c3ccccc3n21 ZINC000236129135 582639462 /nfs/dbraw/zinc/63/94/62/582639462.db2.gz FLAOTNDHFQEQEY-SECBINFHSA-N 1 2 223.226 2.658 10 0 BFAELO CCNc1[nH+]c([C@@H](C)CC)nc2[nH]ccc21 ZINC000757567146 586305904 /nfs/dbraw/zinc/30/59/04/586305904.db2.gz MCLFJBWAXFDLHU-QMMMGPOBSA-N 1 2 218.304 2.855 10 0 BFAELO FC(F)Sc1[nH+]cc2ccccn21 ZINC000757135027 586427169 /nfs/dbraw/zinc/42/71/69/586427169.db2.gz BOYCWVKYAVHFAX-UHFFFAOYSA-N 1 2 200.213 2.649 10 0 BFAELO CCOc1cc(F)ccc1-c1c[nH]c[nH+]1 ZINC000757566735 586461742 /nfs/dbraw/zinc/46/17/42/586461742.db2.gz MAKHQMPBLZCJAO-UHFFFAOYSA-N 1 2 206.220 2.615 10 0 BFAELO CCNc1[nH+]c(C(C)(C)C)nc2[nH]ccc21 ZINC000757568999 586462138 /nfs/dbraw/zinc/46/21/38/586462138.db2.gz SQNYXYDDDCLMIF-UHFFFAOYSA-N 1 2 218.304 2.639 10 0 BFAELO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ncc[nH]2)o1 ZINC000124737170 590080544 /nfs/dbraw/zinc/08/05/44/590080544.db2.gz ZAXSXMAITJKQSD-NXEZZACHSA-N 1 2 219.288 2.723 10 0 BFAELO O=Cc1cccc(-c2cccc3[nH+]ccn32)c1 ZINC000128046879 590884559 /nfs/dbraw/zinc/88/45/59/590884559.db2.gz JZHYCGWIWLBNPI-UHFFFAOYSA-N 1 2 222.247 2.814 10 0 BFAELO C[NH+](C)c1ccc(NCc2ccc(F)nc2)cc1 ZINC000189150627 634167150 /nfs/dbraw/zinc/16/71/50/634167150.db2.gz JHCCPOQNWDCFNS-UHFFFAOYSA-N 1 2 245.301 2.899 10 0 BFAELO CC1CC([NH2+]c2ccc(N(C)C)cc2)C1 ZINC000231790146 641203048 /nfs/dbraw/zinc/20/30/48/641203048.db2.gz WKDZZQSBZNKDPX-UHFFFAOYSA-N 1 2 204.317 2.963 10 0 BFAELO CC1CC(Nc2ccc([NH+](C)C)cc2)C1 ZINC000231790146 641203051 /nfs/dbraw/zinc/20/30/51/641203051.db2.gz WKDZZQSBZNKDPX-UHFFFAOYSA-N 1 2 204.317 2.963 10 0 BFAELO Cc1cc(N[C@@H](C)Cc2ccc(F)cc2)nc[nH+]1 ZINC000062054738 178178154 /nfs/dbraw/zinc/17/81/54/178178154.db2.gz BSXGAUFXKZGMGT-NSHDSACASA-N 1 2 245.301 2.967 10 0 BFAELO Cc1cc(N[C@H](C)Cc2ccc(F)cc2)nc[nH+]1 ZINC000062054739 178185978 /nfs/dbraw/zinc/18/59/78/178185978.db2.gz BSXGAUFXKZGMGT-LLVKDONJSA-N 1 2 245.301 2.967 10 0 BFAELO Cc1cc(Nc2ccccc2F)[nH+]cc1N ZINC000036251314 178193299 /nfs/dbraw/zinc/19/32/99/178193299.db2.gz XSJGTIAMJGTZRF-UHFFFAOYSA-N 1 2 217.247 2.855 10 0 BFAELO Cc1cc(OC(C)C)c(OC2CC2)c[nH+]1 ZINC000095720429 178206180 /nfs/dbraw/zinc/20/61/80/178206180.db2.gz BIGIEXHBGHSYJG-UHFFFAOYSA-N 1 2 207.273 2.718 10 0 BFAELO Cc1ccc(-c2[nH+]c(N)[nH]c2Cl)cc1 ZINC000075615240 178316096 /nfs/dbraw/zinc/31/60/96/178316096.db2.gz ZMOFWVRCOLSSAW-UHFFFAOYSA-N 1 2 207.664 2.621 10 0 BFAELO Cc1ccc(-c2[nH]c(N)[nH+]c2Cl)cc1 ZINC000075615240 178316097 /nfs/dbraw/zinc/31/60/97/178316097.db2.gz ZMOFWVRCOLSSAW-UHFFFAOYSA-N 1 2 207.664 2.621 10 0 BFAELO Cc1ccc(-c2nc(N)cc(C)[nH+]2)c(C)c1 ZINC000050866295 178332946 /nfs/dbraw/zinc/33/29/46/178332946.db2.gz FOOWPAQWVXNDIL-UHFFFAOYSA-N 1 2 213.284 2.651 10 0 BFAELO CCC(CC)N(C)c1cc[nH+]c(C2CC2)n1 ZINC000301600820 168369595 /nfs/dbraw/zinc/36/95/95/168369595.db2.gz ZCHQKIJDZQZOGR-UHFFFAOYSA-N 1 2 219.332 2.979 10 0 BFAELO Nc1cccc([C@@H]2CCNc3ccccc32)[nH+]1 ZINC000616589739 349574314 /nfs/dbraw/zinc/57/43/14/349574314.db2.gz ULPMUTJVRRHHDM-LLVKDONJSA-N 1 2 225.295 2.611 10 0 BFAELO C[C@@H]1CC[N@H+](Cc2nnc(Cl)s2)[C@@H](C)C1 ZINC000227048658 342767871 /nfs/dbraw/zinc/76/78/71/342767871.db2.gz LZMCTYRUMYAEGM-SFYZADRCSA-N 1 2 245.779 2.812 10 0 BFAELO C[C@@H]1CC[N@@H+](Cc2nnc(Cl)s2)[C@@H](C)C1 ZINC000227048658 342767872 /nfs/dbraw/zinc/76/78/72/342767872.db2.gz LZMCTYRUMYAEGM-SFYZADRCSA-N 1 2 245.779 2.812 10 0 BFAELO CCC(CC)[C@@H](C)[NH2+]c1ccc(N)c(C(N)=O)c1 ZINC000104413455 168399074 /nfs/dbraw/zinc/39/90/74/168399074.db2.gz TWKYTGWFRMGEIE-SECBINFHSA-N 1 2 249.358 2.604 10 0 BFAELO Cc1ccc(NC(=O)N2C[C@H]3CCC[C@@H]32)c(C)[nH+]1 ZINC000336310699 398329872 /nfs/dbraw/zinc/32/98/72/398329872.db2.gz MPSPXEALQJHDJM-YPMHNXCESA-N 1 2 245.326 2.715 10 0 BFAELO Cc1noc(C[NH2+][C@H](C)c2cccc(C)c2)n1 ZINC000038034122 343053289 /nfs/dbraw/zinc/05/32/89/343053289.db2.gz DEDDYGIZUHOLDI-SNVBAGLBSA-N 1 2 231.299 2.537 10 0 BFAELO Cc1cc(C)c(-c2csc(N)n2)c(C)[nH+]1 ZINC000118769460 343055301 /nfs/dbraw/zinc/05/53/01/343055301.db2.gz SNIBQFOEOVBOKU-UHFFFAOYSA-N 1 2 219.313 2.713 10 0 BFAELO COc1ccc2[nH]c3c(c2c1)CC[N@H+](C)[C@H]3C ZINC000014697394 343129394 /nfs/dbraw/zinc/12/93/94/343129394.db2.gz KJRZKSZBOCUMNO-VIFPVBQESA-N 1 2 230.311 2.725 10 0 BFAELO COc1ccc2[nH]c3c(c2c1)CC[N@@H+](C)[C@H]3C ZINC000014697394 343129396 /nfs/dbraw/zinc/12/93/96/343129396.db2.gz KJRZKSZBOCUMNO-VIFPVBQESA-N 1 2 230.311 2.725 10 0 BFAELO Clc1cccc(OCc2[nH]cc[nH+]2)c1 ZINC000031560400 343220498 /nfs/dbraw/zinc/22/04/98/343220498.db2.gz JHDAIQXMOZAAHO-UHFFFAOYSA-N 1 2 208.648 2.642 10 0 BFAELO COc1cc2[nH+]c(C)[nH]c2cc1Br ZINC000146647936 343305011 /nfs/dbraw/zinc/30/50/11/343305011.db2.gz PTQMHGBFTYYQDX-UHFFFAOYSA-N 1 2 241.088 2.642 10 0 BFAELO Cc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000036244275 343313099 /nfs/dbraw/zinc/31/30/99/343313099.db2.gz XXIFFUAPZHTUJK-UHFFFAOYSA-N 1 2 225.089 2.714 10 0 BFAELO Cc1[nH+]cn(C)c1-c1ccc(N)c(Cl)c1 ZINC000203790208 343544691 /nfs/dbraw/zinc/54/46/91/343544691.db2.gz YFPGZAKBDWCVCM-UHFFFAOYSA-N 1 2 221.691 2.631 10 0 BFAELO C[N@H+](Cc1ccc(Cl)s1)[C@H]1CCCC1=O ZINC000050144010 343609944 /nfs/dbraw/zinc/60/99/44/343609944.db2.gz JYGIJJNSZLODBV-VIFPVBQESA-N 1 2 243.759 2.955 10 0 BFAELO C[N@@H+](Cc1ccc(Cl)s1)[C@H]1CCCC1=O ZINC000050144010 343609947 /nfs/dbraw/zinc/60/99/47/343609947.db2.gz JYGIJJNSZLODBV-VIFPVBQESA-N 1 2 243.759 2.955 10 0 BFAELO C[NH+](C)c1ccc(NC/C=C/Cl)cc1 ZINC000234243751 343748030 /nfs/dbraw/zinc/74/80/30/343748030.db2.gz DIXUSOBPRUOURW-FPYGCLRLSA-N 1 2 210.708 2.917 10 0 BFAELO CCn1nc(-c2ccsc2)cc1C(=[NH2+])OC ZINC000409443568 343867575 /nfs/dbraw/zinc/86/75/75/343867575.db2.gz PRXWXVDZIUYQTR-UHFFFAOYSA-N 1 2 235.312 2.603 10 0 BFAELO Nc1cc(CC2CCCCC2)[nH+]c(C2CC2)n1 ZINC000575622287 343869428 /nfs/dbraw/zinc/86/94/28/343869428.db2.gz PKSYDTXJBNCXBY-UHFFFAOYSA-N 1 2 231.343 2.889 10 0 BFAELO CCC(CC)c1cc(N)nc(C2CC2)[nH+]1 ZINC000575621771 343869972 /nfs/dbraw/zinc/86/99/72/343869972.db2.gz ALDDSESUXQWMRE-UHFFFAOYSA-N 1 2 205.305 2.670 10 0 BFAELO C[NH2+][C@@H](c1ccc(Cl)s1)C(F)F ZINC000234466980 343971945 /nfs/dbraw/zinc/97/19/45/343971945.db2.gz KKKBESKNWFFHHY-LURJTMIESA-N 1 2 211.664 2.927 10 0 BFAELO C[NH2+][C@H](c1ccc(Cl)s1)C(F)F ZINC000234412228 343964562 /nfs/dbraw/zinc/96/45/62/343964562.db2.gz KKKBESKNWFFHHY-ZCFIWIBFSA-N 1 2 211.664 2.927 10 0 BFAELO COc1ccc[nH+]c1N[C@@H]1CCC[C@H]2C[C@H]21 ZINC000378678152 344801243 /nfs/dbraw/zinc/80/12/43/344801243.db2.gz RSSCKSIIHKYHMS-HBNTYKKESA-N 1 2 218.300 2.691 10 0 BFAELO CO[C@H]1CCC[C@@H](Nc2c[nH+]ccc2C)C1 ZINC000234780301 537874043 /nfs/dbraw/zinc/87/40/43/537874043.db2.gz IGFSSKPNIPGBAT-NEPJUHHUSA-N 1 2 220.316 2.760 10 0 BFAELO Oc1ccc([C@H]2OCC[C@@H]3CCCC[N@H+]23)cc1 ZINC000011757587 344998607 /nfs/dbraw/zinc/99/86/07/344998607.db2.gz MTNHRTUBILGTGY-GXTWGEPZSA-N 1 2 233.311 2.666 10 0 BFAELO Oc1ccc([C@H]2OCC[C@@H]3CCCC[N@@H+]23)cc1 ZINC000011757587 344998608 /nfs/dbraw/zinc/99/86/08/344998608.db2.gz MTNHRTUBILGTGY-GXTWGEPZSA-N 1 2 233.311 2.666 10 0 BFAELO [NH3+][C@@H](CF)c1cc(Cl)c(O)c(Cl)c1 ZINC000238572619 345080581 /nfs/dbraw/zinc/08/05/81/345080581.db2.gz CRUZDOCGSOMZIT-ZETCQYMHSA-N 1 2 224.062 2.668 10 0 BFAELO Cc1cc([NH2+][C@H]2CCSC2)ccc1O ZINC000148169449 345287655 /nfs/dbraw/zinc/28/76/55/345287655.db2.gz HWZGPTNECBTEMB-JTQLQIEISA-N 1 2 209.314 2.618 10 0 BFAELO CN(Cc1ccccc1)C(=O)Oc1cc[nH+]cc1 ZINC000034082988 345816379 /nfs/dbraw/zinc/81/63/79/345816379.db2.gz CZPPKBWNKHNGIJ-UHFFFAOYSA-N 1 2 242.278 2.712 10 0 BFAELO C[C@@H]1CCCn2cc(-c3cccnc3)[nH+]c21 ZINC000258583787 345784314 /nfs/dbraw/zinc/78/43/14/345784314.db2.gz UXZXNPBPDMBLNI-SNVBAGLBSA-N 1 2 213.284 2.842 10 0 BFAELO C[C@@H]1CCc2[nH+]c(-c3cccnc3)cn2C1 ZINC000258603469 345784627 /nfs/dbraw/zinc/78/46/27/345784627.db2.gz VOJZTEWQOBGHNV-SNVBAGLBSA-N 1 2 213.284 2.527 10 0 BFAELO Cc1cc(C)cc(-c2cc(N)nc(C)[nH+]2)c1 ZINC000084026235 345920774 /nfs/dbraw/zinc/92/07/74/345920774.db2.gz BMVNBQYPIVUEMG-UHFFFAOYSA-N 1 2 213.284 2.651 10 0 BFAELO CCn1cc[nH+]c1-c1ccc(C=O)cc1C ZINC000161635454 346350155 /nfs/dbraw/zinc/35/01/55/346350155.db2.gz UMNFTCKYVHUWMY-UHFFFAOYSA-N 1 2 214.268 2.691 10 0 BFAELO Cc1cccc(N(C)c2ccc(N)[nH+]c2)c1 ZINC000049979878 179118381 /nfs/dbraw/zinc/11/83/81/179118381.db2.gz PVVOMZYBQGHIOW-UHFFFAOYSA-N 1 2 213.284 2.740 10 0 BFAELO Cc1[nH]c(CNc2cccc(C)c2)c[nH+]1 ZINC000054797681 179147899 /nfs/dbraw/zinc/14/78/99/179147899.db2.gz CUXXKAKZDMGPHG-UHFFFAOYSA-N 1 2 201.273 2.639 10 0 BFAELO Cc1[nH]cc(CNc2cccc(C)c2)[nH+]1 ZINC000054797681 179147901 /nfs/dbraw/zinc/14/79/01/179147901.db2.gz CUXXKAKZDMGPHG-UHFFFAOYSA-N 1 2 201.273 2.639 10 0 BFAELO CC(C)Nc1ccc(-c2[nH+]ccn2C)cc1 ZINC000669380076 537985965 /nfs/dbraw/zinc/98/59/65/537985965.db2.gz HWJLIIGEHGEXGV-UHFFFAOYSA-N 1 2 215.300 2.907 10 0 BFAELO CCC(=O)CCC[NH2+]c1ccc(OC)cc1 ZINC000039150067 347181380 /nfs/dbraw/zinc/18/13/80/347181380.db2.gz JLYDHQZPBDVZJF-UHFFFAOYSA-N 1 2 221.300 2.866 10 0 BFAELO Cc1cccc2c(N)c(Br)c[nH+]c12 ZINC000041702181 179210813 /nfs/dbraw/zinc/21/08/13/179210813.db2.gz KUAJXPOLIQGJNW-UHFFFAOYSA-N 1 2 237.100 2.888 10 0 BFAELO Cc1ccccc1N[C@@H]1CCn2cc[nH+]c21 ZINC000294062233 179306866 /nfs/dbraw/zinc/30/68/66/179306866.db2.gz KEKCOYLQUULIHY-GFCCVEGCSA-N 1 2 213.284 2.748 10 0 BFAELO C[NH+](C)CC(=O)c1cc(Cl)sc1Cl ZINC000037333565 348339913 /nfs/dbraw/zinc/33/99/13/348339913.db2.gz PXWODAKIZDQLMW-UHFFFAOYSA-N 1 2 238.139 2.799 10 0 BFAELO C[C@H](c1ccsc1)[N@@H+]1CCC(=O)[C@H](C)C1 ZINC000251600808 362889544 /nfs/dbraw/zinc/88/95/44/362889544.db2.gz DCIMXMHXAQCIGA-NXEZZACHSA-N 1 2 223.341 2.720 10 0 BFAELO C[C@H](c1ccsc1)[N@H+]1CCC(=O)[C@H](C)C1 ZINC000251600808 362889550 /nfs/dbraw/zinc/88/95/50/362889550.db2.gz DCIMXMHXAQCIGA-NXEZZACHSA-N 1 2 223.341 2.720 10 0 BFAELO Cc1[nH]c2c(cc(Br)cc2C)[nH+]1 ZINC000062152737 180076748 /nfs/dbraw/zinc/07/67/48/180076748.db2.gz GXRBMCDGVSZJHK-UHFFFAOYSA-N 1 2 225.089 2.942 10 0 BFAELO Cc1[nH]c2cc(Br)cc(C)c2[nH+]1 ZINC000062152737 180076750 /nfs/dbraw/zinc/07/67/50/180076750.db2.gz GXRBMCDGVSZJHK-UHFFFAOYSA-N 1 2 225.089 2.942 10 0 BFAELO Cc1[nH+]c2n(c1Br)[C@H](C)CCC2 ZINC000049821311 180108730 /nfs/dbraw/zinc/10/87/30/180108730.db2.gz MXARIPZRYAJGPH-ZCFIWIBFSA-N 1 2 229.121 2.851 10 0 BFAELO Cc1[nH+]c2n(c1Br)[C@@H](C)CCC2 ZINC000049821310 180108989 /nfs/dbraw/zinc/10/89/89/180108989.db2.gz MXARIPZRYAJGPH-LURJTMIESA-N 1 2 229.121 2.851 10 0 BFAELO Cc1[nH+]c2ccccc2n1CC(F)(F)F ZINC000075972943 180104217 /nfs/dbraw/zinc/10/42/17/180104217.db2.gz DOPOHCNZKWISDK-UHFFFAOYSA-N 1 2 214.190 2.907 10 0 BFAELO Cc1[nH+]cn(-c2ccc3ncccc3c2N)c1C ZINC000051925452 180286368 /nfs/dbraw/zinc/28/63/68/180286368.db2.gz IYCFKPXGICZXQN-UHFFFAOYSA-N 1 2 238.294 2.620 10 0 BFAELO CC(C)(C)N1CC[NH2+][C@H](c2ccccc2F)C1 ZINC000616632378 351111353 /nfs/dbraw/zinc/11/13/53/351111353.db2.gz IAAPHCDHFBEXOF-ZDUSSCGKSA-N 1 2 236.334 2.571 10 0 BFAELO CC[N@@H+]1CCCCC[C@@H]1OC(F)(F)F ZINC000616623647 351089096 /nfs/dbraw/zinc/08/90/96/351089096.db2.gz PVFBQULPXVXYLC-QMMMGPOBSA-N 1 2 211.227 2.745 10 0 BFAELO CC[N@H+]1CCCCC[C@@H]1OC(F)(F)F ZINC000616623647 351089098 /nfs/dbraw/zinc/08/90/98/351089098.db2.gz PVFBQULPXVXYLC-QMMMGPOBSA-N 1 2 211.227 2.745 10 0 BFAELO CC[N@@H+]1CCOC[C@@H]1c1cnc2ccccc2c1 ZINC000616638461 351139181 /nfs/dbraw/zinc/13/91/81/351139181.db2.gz UGDDLZNTDKYISS-OAHLLOKOSA-N 1 2 242.322 2.628 10 0 BFAELO CC[N@H+]1CCOC[C@@H]1c1cnc2ccccc2c1 ZINC000616638461 351139184 /nfs/dbraw/zinc/13/91/84/351139184.db2.gz UGDDLZNTDKYISS-OAHLLOKOSA-N 1 2 242.322 2.628 10 0 BFAELO Nc1ccc([C@@H]2CCc3ccccc3N2)c[nH+]1 ZINC000616666366 351226881 /nfs/dbraw/zinc/22/68/81/351226881.db2.gz KKMMFXOJDHYVDZ-ZDUSSCGKSA-N 1 2 225.295 2.594 10 0 BFAELO CCOC(=[NH2+])c1cccc2cccnc21 ZINC000069050834 351347152 /nfs/dbraw/zinc/34/71/52/351347152.db2.gz UPDRMLOZEZDCAD-UHFFFAOYSA-N 1 2 200.241 2.597 10 0 BFAELO CCc1nc([C@@H]2[NH2+]C(C)(C)CS2)cs1 ZINC000307050130 351447916 /nfs/dbraw/zinc/44/79/16/351447916.db2.gz QRZSAENMDTXPBS-SECBINFHSA-N 1 2 228.386 2.819 10 0 BFAELO Cc1cc([C@@H]2[NH2+]CC[C@H](C)S2)sn1 ZINC000404446727 351459190 /nfs/dbraw/zinc/45/91/90/351459190.db2.gz OBVRMUFSZFCANQ-IONNQARKSA-N 1 2 214.359 2.565 10 0 BFAELO CC[C@@H]1CS[C@@H](c2ncc(C)s2)[NH2+]1 ZINC000307219849 351620763 /nfs/dbraw/zinc/62/07/63/351620763.db2.gz HJNDOEROCWSONN-APPZFPTMSA-N 1 2 214.359 2.565 10 0 BFAELO Cc1nc([C@@H]([NH3+])c2ccc(Cl)o2)cs1 ZINC000307242793 351748112 /nfs/dbraw/zinc/74/81/12/351748112.db2.gz JNWYCTQPZGYQCQ-SECBINFHSA-N 1 2 228.704 2.746 10 0 BFAELO CC(C)C[C@@H]1CC(=O)C[N@@H+]1Cc1ccccc1 ZINC000725272223 538103674 /nfs/dbraw/zinc/10/36/74/538103674.db2.gz IPYHGOHEQSXTLF-CQSZACIVSA-N 1 2 231.339 2.876 10 0 BFAELO CC(C)C[C@@H]1CC(=O)C[N@H+]1Cc1ccccc1 ZINC000725272223 538103676 /nfs/dbraw/zinc/10/36/76/538103676.db2.gz IPYHGOHEQSXTLF-CQSZACIVSA-N 1 2 231.339 2.876 10 0 BFAELO Cc1cc[nH+]cc1NC[C@@H]1C[C@H]2C[C@H]2C1 ZINC000638791256 352751948 /nfs/dbraw/zinc/75/19/48/352751948.db2.gz FPDKGAKHMPGKBQ-ZSBIGDGJSA-N 1 2 202.301 2.848 10 0 BFAELO Cc1csc([C@@H]([NH3+])c2ncc(Cl)s2)n1 ZINC000223128640 353139532 /nfs/dbraw/zinc/13/95/32/353139532.db2.gz UHUXJCOFSAVDPV-LURJTMIESA-N 1 2 245.760 2.610 10 0 BFAELO Cc1cc[nH+]c(NC(C)C)c1Br ZINC000232712053 353265496 /nfs/dbraw/zinc/26/54/96/353265496.db2.gz WQQPKSYFMZCHOC-UHFFFAOYSA-N 1 2 229.121 2.973 10 0 BFAELO Oc1c(F)cc([C@@H]2CCC[NH2+]2)cc1Cl ZINC000072202108 188306961 /nfs/dbraw/zinc/30/69/61/188306961.db2.gz OHHXXXGOCWTPFF-VIFPVBQESA-N 1 2 215.655 2.609 10 0 BFAELO CC[C@@H]1CS[C@H](c2ncc(Cl)s2)[NH2+]1 ZINC000223220495 353368150 /nfs/dbraw/zinc/36/81/50/353368150.db2.gz QLNOTCDMCCNTKH-SVGQVSJJSA-N 1 2 234.777 2.910 10 0 BFAELO Cc1nn(C)cc1Nc1cc(C)[nH+]c(C(C)C)n1 ZINC000230185387 353475004 /nfs/dbraw/zinc/47/50/04/353475004.db2.gz DVXOZENXPWHUNM-UHFFFAOYSA-N 1 2 245.330 2.694 10 0 BFAELO Fc1cccc(NCCCn2cc[nH+]c2)c1F ZINC000049328064 181001749 /nfs/dbraw/zinc/00/17/49/181001749.db2.gz SAZCWOOJZHESHU-UHFFFAOYSA-N 1 2 237.253 2.664 10 0 BFAELO COc1ccc(Sc2ccc(N)[nH+]c2)cc1 ZINC000019869371 355362777 /nfs/dbraw/zinc/36/27/77/355362777.db2.gz ZDGVJSDOSLQBNI-UHFFFAOYSA-N 1 2 232.308 2.824 10 0 BFAELO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]CC(F)(F)F ZINC000235289421 357852006 /nfs/dbraw/zinc/85/20/06/357852006.db2.gz CADNXUJMRWMRDG-SFYZADRCSA-N 1 2 209.255 2.963 10 0 BFAELO C[C@H]1CC[C@H](Oc2cc[nH+]c(CO)c2)CC1 ZINC000584629100 358298530 /nfs/dbraw/zinc/29/85/30/358298530.db2.gz BURBIXFEXMDBKT-UMSPYCQHSA-N 1 2 221.300 2.531 10 0 BFAELO C[NH2+][C@@](C)(Cc1ccccc1)C(=O)OC(C)(C)C ZINC000584651359 358306143 /nfs/dbraw/zinc/30/61/43/358306143.db2.gz AQGFZDMEKNDSRL-HNNXBMFYSA-N 1 2 249.354 2.549 10 0 BFAELO COc1ccc2c3c1C=[NH+]CC[C@H]3CCC2 ZINC000584643603 358328683 /nfs/dbraw/zinc/32/86/83/358328683.db2.gz PMHSUQJIQYKVGB-LLVKDONJSA-N 1 2 215.296 2.938 10 0 BFAELO Cc1cnc(C[N@@H+]2CCC[C@@H]2c2ccco2)o1 ZINC000173653230 134276132 /nfs/dbraw/zinc/27/61/32/134276132.db2.gz MNNVPHSBGUDPMT-LLVKDONJSA-N 1 2 232.283 2.913 10 0 BFAELO Cc1cnc(C[N@H+]2CCC[C@@H]2c2ccco2)o1 ZINC000173653230 134276133 /nfs/dbraw/zinc/27/61/33/134276133.db2.gz MNNVPHSBGUDPMT-LLVKDONJSA-N 1 2 232.283 2.913 10 0 BFAELO Cc1nnc([C@H](C)[N@@H+]2CCC[C@H]2c2ccco2)o1 ZINC000247558961 359234381 /nfs/dbraw/zinc/23/43/81/359234381.db2.gz UMNXCOYUKHNBOZ-ONGXEEELSA-N 1 2 247.298 2.869 10 0 BFAELO Cc1nnc([C@H](C)[N@H+]2CCC[C@H]2c2ccco2)o1 ZINC000247558961 359234385 /nfs/dbraw/zinc/23/43/85/359234385.db2.gz UMNXCOYUKHNBOZ-ONGXEEELSA-N 1 2 247.298 2.869 10 0 BFAELO [NH3+][C@@H](c1ccsc1Cl)c1nccs1 ZINC000306231417 359380569 /nfs/dbraw/zinc/38/05/69/359380569.db2.gz LWWIUJDRHPQCIX-LURJTMIESA-N 1 2 230.745 2.906 10 0 BFAELO [NH3+][C@H](c1ccsc1Cl)c1nccs1 ZINC000306231436 359380629 /nfs/dbraw/zinc/38/06/29/359380629.db2.gz LWWIUJDRHPQCIX-ZCFIWIBFSA-N 1 2 230.745 2.906 10 0 BFAELO Cc1c[nH]c(-c2ccncc2Br)[nH+]1 ZINC000306571657 360457682 /nfs/dbraw/zinc/45/76/82/360457682.db2.gz GDSUEFUXXGHVIW-UHFFFAOYSA-N 1 2 238.088 2.543 10 0 BFAELO NC(=S)c1ccc[nH+]c1NC1CCCCCC1 ZINC000037390408 181321789 /nfs/dbraw/zinc/32/17/89/181321789.db2.gz SUCUUQYNCOOXEQ-UHFFFAOYSA-N 1 2 249.383 2.851 10 0 BFAELO CN(C(=O)Oc1cc[nH+]cc1)c1ccccc1 ZINC000038674394 368327812 /nfs/dbraw/zinc/32/78/12/368327812.db2.gz MELPGTIJONCQLF-UHFFFAOYSA-N 1 2 228.251 2.717 10 0 BFAELO Cc1cnc([C@@H](C)[NH2+]Cc2ccnc(C)c2)o1 ZINC000621278779 370210652 /nfs/dbraw/zinc/21/06/52/370210652.db2.gz YJYHDJHAJDEAQB-LLVKDONJSA-N 1 2 231.299 2.537 10 0 BFAELO CSCC[NH2+][C@H](Cc1ccccc1)C(F)F ZINC000309883466 370272343 /nfs/dbraw/zinc/27/23/43/370272343.db2.gz WUWKTCLZXOAQPK-LLVKDONJSA-N 1 2 245.338 2.815 10 0 BFAELO C[NH2+][C@]1(C(F)(F)F)CCC[C@@H](C)[C@@H]1C ZINC000227394160 371855381 /nfs/dbraw/zinc/85/53/81/371855381.db2.gz YLSUUFYFZSIDKJ-HRDYMLBCSA-N 1 2 209.255 2.963 10 0 BFAELO O=C(Cn1cc[nH+]c1)c1ccc2ccccc2c1 ZINC000000001766 182071014 /nfs/dbraw/zinc/07/10/14/182071014.db2.gz ITPVLJQRUQVNSD-UHFFFAOYSA-N 1 2 236.274 2.919 10 0 in-man BFAELO [NH3+][C@@H](c1ccco1)c1occc1Br ZINC000068982969 373102303 /nfs/dbraw/zinc/10/23/03/373102303.db2.gz BBNHHASTCUPPEO-QMMMGPOBSA-N 1 2 242.072 2.683 10 0 BFAELO CCCN(C)c1ccc2[nH+]cccc2c1N ZINC000037377918 169088388 /nfs/dbraw/zinc/08/83/88/169088388.db2.gz VNXGIMSCPWMVLR-UHFFFAOYSA-N 1 2 215.300 2.663 10 0 BFAELO CCC[N@H+](C)c1ccc(N)c2ncccc12 ZINC000035340776 169088491 /nfs/dbraw/zinc/08/84/91/169088491.db2.gz VVSFGCHNMNYKGV-UHFFFAOYSA-N 1 2 215.300 2.663 10 0 BFAELO CCC[N@@H+](C)c1ccc(N)c2ncccc12 ZINC000035340776 169088495 /nfs/dbraw/zinc/08/84/95/169088495.db2.gz VVSFGCHNMNYKGV-UHFFFAOYSA-N 1 2 215.300 2.663 10 0 BFAELO Oc1ccc([NH2+]C2CCSCC2)cc1 ZINC000037132225 183275185 /nfs/dbraw/zinc/27/51/85/183275185.db2.gz RZOCOIWPRCZLFK-UHFFFAOYSA-N 1 2 209.314 2.700 10 0 BFAELO c1cc2c(cccc2C[NH2+]N2CCCCC2)[nH]1 ZINC000083251082 183352730 /nfs/dbraw/zinc/35/27/30/183352730.db2.gz BVCJIALQJMFRQA-UHFFFAOYSA-N 1 2 229.327 2.658 10 0 BFAELO CCC[NH2+][C@@H](C(=O)OC)c1cc(C)ccc1C ZINC000049670786 169274028 /nfs/dbraw/zinc/27/40/28/169274028.db2.gz GREZCBYHLNHBEU-CYBMUJFWSA-N 1 2 235.327 2.517 10 0 BFAELO CCC[NH2+]c1ccc(-n2cccn2)cc1 ZINC000036978015 169294351 /nfs/dbraw/zinc/29/43/51/169294351.db2.gz ZFNRGUWIWFMCCR-UHFFFAOYSA-N 1 2 201.273 2.694 10 0 BFAELO CCCSCc1[nH]c2ccc(N)cc2[nH+]1 ZINC000037285819 169340260 /nfs/dbraw/zinc/34/02/60/169340260.db2.gz UCAJTPHJQVUOQG-UHFFFAOYSA-N 1 2 221.329 2.788 10 0 BFAELO CCC[C@@H](C)c1nc([C@H]2CCCC[NH2+]2)no1 ZINC000040443559 169375623 /nfs/dbraw/zinc/37/56/23/169375623.db2.gz CPZJAZNVPAJCCT-NXEZZACHSA-N 1 2 223.320 2.788 10 0 BFAELO C[NH2+][C@]1(C(F)(F)F)C[C@@H](C)CC[C@@H]1C ZINC000227394506 383855663 /nfs/dbraw/zinc/85/56/63/383855663.db2.gz SVPNZXQYGVBSSW-XHNCKOQMSA-N 1 2 209.255 2.963 10 0 BFAELO Cc1ccc([C@H](C)[NH2+]Cc2ncnn2C(C)C)o1 ZINC000088589950 383916525 /nfs/dbraw/zinc/91/65/25/383916525.db2.gz RXTWQNUAXUXYNI-NSHDSACASA-N 1 2 248.330 2.611 10 0 BFAELO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2cnccn2)o1 ZINC000070478250 384115330 /nfs/dbraw/zinc/11/53/30/384115330.db2.gz BEOGDLIRPJVJDN-WDEREUQCSA-N 1 2 231.299 2.790 10 0 BFAELO CC[C@@H]1CS[C@@H](c2csc(C)n2)[NH2+]1 ZINC000126797443 384475903 /nfs/dbraw/zinc/47/59/03/384475903.db2.gz SVMZCMFSVKRHRE-APPZFPTMSA-N 1 2 214.359 2.565 10 0 BFAELO FC(F)(F)c1c[nH+]c(NCc2cccs2)[nH]1 ZINC000336660626 384695819 /nfs/dbraw/zinc/69/58/19/384695819.db2.gz CJUSRBGYSCEOKE-UHFFFAOYSA-N 1 2 247.245 2.524 10 0 BFAELO CC(C)n1cc[nH+]c1CSCc1ccon1 ZINC000175300239 384889625 /nfs/dbraw/zinc/88/96/25/384889625.db2.gz BCKVJJCNBIYECL-UHFFFAOYSA-N 1 2 237.328 2.885 10 0 BFAELO CCC[C@H]1C[C@@H]1Nc1cc[nH+]c(C2CC2)n1 ZINC000301439556 384875279 /nfs/dbraw/zinc/87/52/79/384875279.db2.gz LVVZGEXCRUUMFB-QWRGUYRKSA-N 1 2 217.316 2.955 10 0 BFAELO CC(C)n1cc[nH+]c1CSC[C@@H]1CCCO1 ZINC000175283083 384888679 /nfs/dbraw/zinc/88/86/79/384888679.db2.gz VQBSXKFYZVFJSH-NSHDSACASA-N 1 2 240.372 2.876 10 0 BFAELO COc1cc(NCc2ccccc2)cc[nH+]1 ZINC000127037518 384855204 /nfs/dbraw/zinc/85/52/04/384855204.db2.gz FDNQUBSLIXATRQ-UHFFFAOYSA-N 1 2 214.268 2.702 10 0 BFAELO CCn1cc[nH+]c1CNc1cccc(C(C)=O)c1 ZINC000177093139 384867149 /nfs/dbraw/zinc/86/71/49/384867149.db2.gz QFCRSNRHQPTVCR-UHFFFAOYSA-N 1 2 243.310 2.718 10 0 BFAELO COC[C@@H](C)SCc1[nH+]ccn1C(C)C ZINC000175301563 384890767 /nfs/dbraw/zinc/89/07/67/384890767.db2.gz RJKCPKZBPOPRSG-SNVBAGLBSA-N 1 2 228.361 2.732 10 0 BFAELO Cc1cc[nH+]c(NC[C@H]2CCC[C@H]2O)c1Cl ZINC000336495864 384911463 /nfs/dbraw/zinc/91/14/63/384911463.db2.gz LHIAOJWXNSGZNN-NXEZZACHSA-N 1 2 240.734 2.616 10 0 BFAELO COC(=O)[C@H]([NH2+][C@@H]1C[C@@H](C)[C@H]1C)c1ccccc1 ZINC000311105605 385320000 /nfs/dbraw/zinc/32/00/00/385320000.db2.gz QTKOBFOTIVOQGS-HBJVGIJOSA-N 1 2 247.338 2.535 10 0 BFAELO Cc1c(-c2cccc(N)c2)[nH+]c2ccccn12 ZINC000409428859 385327277 /nfs/dbraw/zinc/32/72/77/385327277.db2.gz PHPBQAAZAISRAL-UHFFFAOYSA-N 1 2 223.279 2.892 10 0 BFAELO CCc1ccc([C@H](C)[NH2+]Cc2nnc(C)o2)cc1 ZINC000181060577 385562696 /nfs/dbraw/zinc/56/26/96/385562696.db2.gz PALXJFZGTFPXFL-JTQLQIEISA-N 1 2 245.326 2.791 10 0 BFAELO CC[C@@H](Nc1cc[nH+]c(C(C)C)n1)C(C)C ZINC000336735346 385696302 /nfs/dbraw/zinc/69/63/02/385696302.db2.gz LSUWPDHJDYONOT-LLVKDONJSA-N 1 2 221.348 2.868 10 0 BFAELO Nc1c(F)c[nH+]cc1Nc1ccc(C2CC2)cn1 ZINC000261506835 386027734 /nfs/dbraw/zinc/02/77/34/386027734.db2.gz BLBDHLZJPUSETL-UHFFFAOYSA-N 1 2 244.273 2.819 10 0 BFAELO Cc1cnc([C@@H](C)[NH2+]Cc2ccoc2C)o1 ZINC000321580599 387281573 /nfs/dbraw/zinc/28/15/73/387281573.db2.gz VROXSXUFVDKARI-SECBINFHSA-N 1 2 220.272 2.735 10 0 BFAELO Cc1cccc([C@@H](C)[NH2+]Cc2nccc(C)n2)c1 ZINC000452088860 387732541 /nfs/dbraw/zinc/73/25/41/387732541.db2.gz PIADQLGRYTVAKX-CYBMUJFWSA-N 1 2 241.338 2.944 10 0 BFAELO Cc1ccc(N[C@H]2[C@@H]3CCO[C@@H]3C2(C)C)c[nH+]1 ZINC000154247341 387897888 /nfs/dbraw/zinc/89/78/88/387897888.db2.gz OYWYLOWQQZLHCY-AVGNSLFASA-N 1 2 232.327 2.615 10 0 BFAELO C[C@H]1CN2CCCC[C@H]2C[N@@H+]1CC1=CCCC1 ZINC000645804913 387948957 /nfs/dbraw/zinc/94/89/57/387948957.db2.gz CEJQHROGGWZGBP-ZFWWWQNUSA-N 1 2 234.387 2.655 10 0 BFAELO C[C@H]1CN2CCCC[C@H]2C[N@H+]1CC1=CCCC1 ZINC000645804913 387948959 /nfs/dbraw/zinc/94/89/59/387948959.db2.gz CEJQHROGGWZGBP-ZFWWWQNUSA-N 1 2 234.387 2.655 10 0 BFAELO CC(C)=CC[N@@H+](C)[C@@H](C)C(=O)OC(C)(C)C ZINC000081567794 388583078 /nfs/dbraw/zinc/58/30/78/388583078.db2.gz HRSPWZCENLVNHS-NSHDSACASA-N 1 2 227.348 2.615 10 0 BFAELO CC(C)=CC[N@H+](C)[C@@H](C)C(=O)OC(C)(C)C ZINC000081567794 388583083 /nfs/dbraw/zinc/58/30/83/388583083.db2.gz HRSPWZCENLVNHS-NSHDSACASA-N 1 2 227.348 2.615 10 0 BFAELO [NH3+]c1ccc2c(c1)CCCN2Cc1cccnc1 ZINC000019875196 132328757 /nfs/dbraw/zinc/32/87/57/132328757.db2.gz UGGCFJCZTKKQMU-UHFFFAOYSA-N 1 2 239.322 2.617 10 0 BFAELO [NH3+]c1ccc2c(c1)CCCN2Cc1ccncc1 ZINC000019875237 132328868 /nfs/dbraw/zinc/32/88/68/132328868.db2.gz OSZTZCPFRJLJPS-UHFFFAOYSA-N 1 2 239.322 2.617 10 0 BFAELO Cc1cnc([C@@H](C)[NH2+]Cc2ccccc2)o1 ZINC000220878248 134316740 /nfs/dbraw/zinc/31/67/40/134316740.db2.gz GXOZJYAGZDWAGN-LLVKDONJSA-N 1 2 216.284 2.834 10 0 BFAELO Cc1cnc([C@H](C)[NH2+]Cc2cccc(O)c2)o1 ZINC000227555554 134383607 /nfs/dbraw/zinc/38/36/07/134383607.db2.gz LXAQRRIMESFHGR-JTQLQIEISA-N 1 2 232.283 2.539 10 0 BFAELO C[C@@H]1COC[C@@H](C)[NH+]1Cc1cccc(Cl)c1 ZINC000077368251 135063240 /nfs/dbraw/zinc/06/32/40/135063240.db2.gz ZBNLADPFKOQBGQ-GHMZBOCLSA-N 1 2 239.746 2.949 10 0 BFAELO Cc1ccc([C@H](C)[NH2+]Cc2nccc(C)n2)o1 ZINC000348255655 136057161 /nfs/dbraw/zinc/05/71/61/136057161.db2.gz RWUOGDRJQKOIHI-NSHDSACASA-N 1 2 231.299 2.537 10 0 BFAELO Cc1cnc([C@H](C)NCc2[nH+]ccn2C(C)C)o1 ZINC000348355379 136071991 /nfs/dbraw/zinc/07/19/91/136071991.db2.gz CKYYMPAVYBAXLZ-NSHDSACASA-N 1 2 248.330 2.611 10 0 BFAELO CC(C)c1cc(N)nc(-c2ccccc2)[nH+]1 ZINC000020550158 487591669 /nfs/dbraw/zinc/59/16/69/487591669.db2.gz AXPUOPJMXRWEDL-UHFFFAOYSA-N 1 2 213.284 2.849 10 0 BFAELO CC(C)Nc1cccc(Cn2cc[nH+]c2)c1 ZINC000037123646 167146287 /nfs/dbraw/zinc/14/62/87/167146287.db2.gz XFYWOFPQFRCPDY-UHFFFAOYSA-N 1 2 215.300 2.752 10 0 BFAELO Cc1cc[nH+]cc1N[C@@H](C)[C@H]1CCCCO1 ZINC000653465962 411284737 /nfs/dbraw/zinc/28/47/37/411284737.db2.gz TUFYNZLHXKDKOU-WCQYABFASA-N 1 2 220.316 2.760 10 0 BFAELO Cc1ccc([C@@H](C)NCc2[nH]c(C)c(C)[nH+]2)o1 ZINC000657293078 411453155 /nfs/dbraw/zinc/45/31/55/411453155.db2.gz WLIYQWDSOGBWIM-LLVKDONJSA-N 1 2 233.315 2.779 10 0 BFAELO Cc1ccc([C@@H](C)[NH2+]Cc2nc(C)c(C)[nH]2)o1 ZINC000657293078 411453158 /nfs/dbraw/zinc/45/31/58/411453158.db2.gz WLIYQWDSOGBWIM-LLVKDONJSA-N 1 2 233.315 2.779 10 0 BFAELO CCNc1nc(C(C)C)[nH+]c(CC)c1C ZINC000082443900 170175916 /nfs/dbraw/zinc/17/59/16/170175916.db2.gz SJTSJIDLUPFQBY-UHFFFAOYSA-N 1 2 207.321 2.903 10 0 BFAELO CCOC(=O)C(C)(C)[NH2+]Cc1cc(C)ccc1C ZINC000102826513 170186847 /nfs/dbraw/zinc/18/68/47/170186847.db2.gz LUPSUKWQRBWMLX-UHFFFAOYSA-N 1 2 249.354 2.735 10 0 BFAELO CCOC(=O)[C@@H]([NH2+][C@@H](C)CC)c1ccccc1 ZINC000037975588 170255264 /nfs/dbraw/zinc/25/52/64/170255264.db2.gz UKJIVKPCDDRTGR-AAEUAGOBSA-N 1 2 235.327 2.679 10 0 BFAELO CCOC(=O)[C@@H]([NH2+][C@H](C)CC)c1cccc(C)c1 ZINC000038067552 170255833 /nfs/dbraw/zinc/25/58/33/170255833.db2.gz HUCATPNSYDLJNM-OCCSQVGLSA-N 1 2 249.354 2.987 10 0 BFAELO CCOC(=O)[C@@](C)(CC)[NH2+]Cc1ccccc1 ZINC000037952655 170260684 /nfs/dbraw/zinc/26/06/84/170260684.db2.gz LOZWJFVQRUWBPG-CQSZACIVSA-N 1 2 235.327 2.508 10 0 BFAELO CCOC(=O)[C@@](C)([NH3+])c1ccc2ccccc2c1 ZINC000037514830 170261444 /nfs/dbraw/zinc/26/14/44/170261444.db2.gz LDOVPYQJUHKZJV-HNNXBMFYSA-N 1 2 243.306 2.577 10 0 BFAELO CCOC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(C)c1 ZINC000049371481 170268290 /nfs/dbraw/zinc/26/82/90/170268290.db2.gz IXKLGCCVCUHIKH-RYUDHWBXSA-N 1 2 235.327 2.597 10 0 BFAELO CC[C@H](C(C)C)n1c2ccc(N)cc2[nH+]c1CO ZINC000053736955 171242584 /nfs/dbraw/zinc/24/25/84/171242584.db2.gz WVGRVGRCDPFYFN-GFCCVEGCSA-N 1 2 247.342 2.718 10 0 BFAELO CC[C@H](C)[C@@H]([NH3+])c1n[nH]c(C2CCCC2)n1 ZINC000041058820 171372759 /nfs/dbraw/zinc/37/27/59/171372759.db2.gz MLOAIUHPUGOYLC-WCBMZHEXSA-N 1 2 222.336 2.508 10 0 BFAELO CCc1[nH+]c2cc(Cl)ccc2n1CCOC ZINC000040404595 172011216 /nfs/dbraw/zinc/01/12/16/172011216.db2.gz VDXGLAQXWMTTGL-UHFFFAOYSA-N 1 2 238.718 2.899 10 0 BFAELO CCc1[nH+]c2ccccc2n1C[C@H](C)C(N)=S ZINC000057868048 172013181 /nfs/dbraw/zinc/01/31/81/172013181.db2.gz GHKDNKHYAZAZQO-VIFPVBQESA-N 1 2 247.367 2.521 10 0 BFAELO CCn1c2ccc(N)cc2[nH+]c1-c1cccnc1 ZINC000084950684 172130700 /nfs/dbraw/zinc/13/07/00/172130700.db2.gz RGBRTBPRPAKDDI-UHFFFAOYSA-N 1 2 238.294 2.700 10 0 BFAELO CCn1cc([C@@H](C)Nc2c[nH+]ccc2C)cn1 ZINC000071413926 172194139 /nfs/dbraw/zinc/19/41/39/172194139.db2.gz RIWSTRRHGRHQSU-LLVKDONJSA-N 1 2 230.315 2.780 10 0 BFAELO C[NH+](C)/C=C/c1nc2ccccc2s1 ZINC000034278869 172350462 /nfs/dbraw/zinc/35/04/62/172350462.db2.gz QWNOLXNQHADUHK-BQYQJAHWSA-N 1 2 204.298 2.829 10 0 BFAELO C[N@@H+]1CCc2c(F)cc(Br)cc2C1 ZINC000095917738 173168347 /nfs/dbraw/zinc/16/83/47/173168347.db2.gz LQQWAQYOPRNUHI-UHFFFAOYSA-N 1 2 244.107 2.576 10 0 BFAELO C[N@H+]1CCc2c(F)cc(Br)cc2C1 ZINC000095917738 173168348 /nfs/dbraw/zinc/16/83/48/173168348.db2.gz LQQWAQYOPRNUHI-UHFFFAOYSA-N 1 2 244.107 2.576 10 0 BFAELO COCCC1(CNc2cccc[nH+]2)CCC1 ZINC000301685737 174158604 /nfs/dbraw/zinc/15/86/04/174158604.db2.gz WTCVWIUIEJZMMM-UHFFFAOYSA-N 1 2 220.316 2.700 10 0 BFAELO COCCC[NH2+]c1ccc(OC(C)C)cc1 ZINC000037753754 174252040 /nfs/dbraw/zinc/25/20/40/174252040.db2.gz ABKXDHMWPOLXKJ-UHFFFAOYSA-N 1 2 223.316 2.922 10 0 BFAELO COc1cc2c(c(OC)c1)[NH2+]C[C@@H](C(C)C)C2 ZINC000011633350 175020553 /nfs/dbraw/zinc/02/05/53/175020553.db2.gz QTPKBBHJZDOMHR-NSHDSACASA-N 1 2 235.327 2.944 10 0 BFAELO COc1cc2c[nH+]cc(C)c2cc1OC ZINC000039119733 175027488 /nfs/dbraw/zinc/02/74/88/175027488.db2.gz IWHLQUIHSISOFH-UHFFFAOYSA-N 1 2 203.241 2.560 10 0 BFAELO COc1ccc(NC2=[NH+]CC(C)(C)S2)cc1 ZINC000005482215 175149533 /nfs/dbraw/zinc/14/95/33/175149533.db2.gz IBISZLUPKQSKEK-UHFFFAOYSA-N 1 2 236.340 2.989 10 0 BFAELO COc1ccc([NH2+]CCC(C)C)cc1O ZINC000037134623 175150494 /nfs/dbraw/zinc/15/04/94/175150494.db2.gz ISFRLGMSHGQPIB-UHFFFAOYSA-N 1 2 209.289 2.859 10 0 BFAELO COc1ccc2c(c1)CCC=C2c1c[nH]c[nH+]1 ZINC000013765315 175207396 /nfs/dbraw/zinc/20/73/96/175207396.db2.gz RSPLVLJXBIUYAQ-UHFFFAOYSA-N 1 2 226.279 2.796 10 0 BFAELO C[C@@H]([NH2+]Cc1ccccc1Cl)c1cc[nH]n1 ZINC000037906464 175901179 /nfs/dbraw/zinc/90/11/79/175901179.db2.gz VMVAXGUHMZODMF-SECBINFHSA-N 1 2 235.718 2.914 10 0 BFAELO C[C@@H]1CCCC[C@H]1N(C)c1ccc(CO)c[nH+]1 ZINC000042609783 176086902 /nfs/dbraw/zinc/08/69/02/176086902.db2.gz RLQKKOJHXUFJSJ-DGCLKSJQSA-N 1 2 234.343 2.589 10 0 BFAELO C[C@@H]1CCCC[C@H]1OCc1cc[nH+]c(N)c1 ZINC000052754826 176090064 /nfs/dbraw/zinc/09/00/64/176090064.db2.gz YPPUWPAZASMWSM-ZYHUDNBSSA-N 1 2 220.316 2.759 10 0 BFAELO C[C@@H]1CCC[C@H](c2nc(N)c3c([nH+]2)CCC3)C1 ZINC000050844740 176146833 /nfs/dbraw/zinc/14/68/33/176146833.db2.gz PFYUDOIPQGTLKM-ZJUUUORDSA-N 1 2 231.343 2.841 10 0 BFAELO C[C@@H]1COC[C@@H](C)[NH+]1Cc1ccc(F)c(F)c1 ZINC000077368431 176346923 /nfs/dbraw/zinc/34/69/23/176346923.db2.gz ZISXVWCYPSOJCN-NXEZZACHSA-N 1 2 241.281 2.574 10 0 BFAELO C[C@H](O)c1[nH+]c2cc(N)ccc2n1[C@@H](C)C1CC1 ZINC000053736359 177018805 /nfs/dbraw/zinc/01/88/05/177018805.db2.gz LPWGQTYJULASCO-IUCAKERBSA-N 1 2 245.326 2.643 10 0 BFAELO C[C@H]1CCC[C@@H](Oc2cc[nH+]cc2N)C1 ZINC000020507204 177123575 /nfs/dbraw/zinc/12/35/75/177123575.db2.gz SDFDXPASFVCIGQ-VHSXEESVSA-N 1 2 206.289 2.621 10 0 BFAELO C[C@H]1Cc2ccccc2N1c1ccc(N)[nH+]c1 ZINC000019868599 177390686 /nfs/dbraw/zinc/39/06/86/177390686.db2.gz IZKMQKKKGDACFW-JTQLQIEISA-N 1 2 225.295 2.747 10 0 BFAELO CCc1cnc(C[NH2+][C@H](C)c2cncc(F)c2)o1 ZINC000228578337 491095539 /nfs/dbraw/zinc/09/55/39/491095539.db2.gz PRISVSFWSXYABO-SECBINFHSA-N 1 2 249.289 2.622 10 0 BFAELO COCC[C@@H](C)[NH2+]c1ccc2c(c1)CCN2C ZINC000757130810 582504483 /nfs/dbraw/zinc/50/44/83/582504483.db2.gz ODPQBADPZLDZHY-LLVKDONJSA-N 1 2 234.343 2.516 10 0 BFAELO CC1(C)CCC[C@@]2(CC1)[NH2+]CC(F)(F)CO2 ZINC000757145414 582528261 /nfs/dbraw/zinc/52/82/61/582528261.db2.gz IJLAEPHHHWZADB-GFCCVEGCSA-N 1 2 233.302 2.928 10 0 BFAELO C[C@@H]1C(=O)[C@@H](C)[C@H](C)C[N@@H+]1Cc1ccccc1 ZINC000238855462 526208999 /nfs/dbraw/zinc/20/89/99/526208999.db2.gz RXZUFZQANYQWEB-FRRDWIJNSA-N 1 2 231.339 2.732 10 0 BFAELO C[C@@H]1C(=O)[C@@H](C)[C@H](C)C[N@H+]1Cc1ccccc1 ZINC000238855462 526209005 /nfs/dbraw/zinc/20/90/05/526209005.db2.gz RXZUFZQANYQWEB-FRRDWIJNSA-N 1 2 231.339 2.732 10 0 BFAELO CCc1ccsc1C(=O)Nc1ccc(N)[nH+]c1 ZINC000061680186 536018064 /nfs/dbraw/zinc/01/80/64/536018064.db2.gz MNYDEWCQYGWGBB-UHFFFAOYSA-N 1 2 247.323 2.540 10 0 BFAELO CCC[C@@H]1C[C@H]1Nc1cc(CC)[nH+]cn1 ZINC000231662671 566314623 /nfs/dbraw/zinc/31/46/23/566314623.db2.gz BRQRUSWXSSMPTN-MWLCHTKSSA-N 1 2 205.305 2.640 10 0 BFAELO COCCCC[NH2+]c1ccc2c(c1)CCN2C ZINC000757134079 582510268 /nfs/dbraw/zinc/51/02/68/582510268.db2.gz WCRFFFJSMSMRKA-UHFFFAOYSA-N 1 2 234.343 2.517 10 0 BFAELO CC[C@H]1CCC[C@@]2(CC1)[NH2+]CC(F)(F)CO2 ZINC000757151275 582535269 /nfs/dbraw/zinc/53/52/69/582535269.db2.gz QGVKWVZWGARJPW-CMPLNLGQSA-N 1 2 233.302 2.928 10 0 BFAELO CCc1nc([C@@H]2[NH2+]CCc3ccoc32)cs1 ZINC000701336400 582916181 /nfs/dbraw/zinc/91/61/81/582916181.db2.gz MKYNPRGRYGFLOQ-NSHDSACASA-N 1 2 234.324 2.534 10 0 BFAELO CCc1cn2ccc(Br)cc2[nH+]1 ZINC000116144191 588960596 /nfs/dbraw/zinc/96/05/96/588960596.db2.gz ULRKPCDDQOTHNA-UHFFFAOYSA-N 1 2 225.089 2.659 10 0 BFAELO COCC[C@H](C)[NH2+]c1ccc2c(c1)CCN2C ZINC000757130817 586426065 /nfs/dbraw/zinc/42/60/65/586426065.db2.gz ODPQBADPZLDZHY-NSHDSACASA-N 1 2 234.343 2.516 10 0 BFAELO Cc1ccc([C@H](C)[NH2+][C@H](C)c2ncc[nH]2)o1 ZINC000124737469 590080717 /nfs/dbraw/zinc/08/07/17/590080717.db2.gz ZAXSXMAITJKQSD-VHSXEESVSA-N 1 2 219.288 2.723 10 0 BFAELO C[C@@H]1CC[C@@H]1[NH2+]c1ccc(N(C)C)cc1 ZINC000308775711 631641822 /nfs/dbraw/zinc/64/18/22/631641822.db2.gz CWLRMBIVEKXOQK-MFKMUULPSA-N 1 2 204.317 2.963 10 0 BFAELO C[C@@H]1CC[C@@H]1Nc1ccc([NH+](C)C)cc1 ZINC000308775711 631641826 /nfs/dbraw/zinc/64/18/26/631641826.db2.gz CWLRMBIVEKXOQK-MFKMUULPSA-N 1 2 204.317 2.963 10 0 BFAELO C[N@@H+]1CCC(=O)C12CCC(C(C)(C)C)CC2 ZINC000685953546 538897735 /nfs/dbraw/zinc/89/77/35/538897735.db2.gz IIDOZUOJLILYRR-UHFFFAOYSA-N 1 2 223.360 2.866 10 0 BFAELO C[N@H+]1CCC(=O)C12CCC(C(C)(C)C)CC2 ZINC000685953546 538897737 /nfs/dbraw/zinc/89/77/37/538897737.db2.gz IIDOZUOJLILYRR-UHFFFAOYSA-N 1 2 223.360 2.866 10 0 BFAELO Cc1cc(CNc2cn[nH+]c3ccccc23)no1 ZINC000104101909 178045066 /nfs/dbraw/zinc/04/50/66/178045066.db2.gz PSGGWAHHWYSFCD-UHFFFAOYSA-N 1 2 240.266 2.538 10 0 BFAELO Cc1cc([NH+](C)C)ccc1N[C@@H](C)c1cn[nH]c1 ZINC000284915182 178094444 /nfs/dbraw/zinc/09/44/44/178094444.db2.gz CWMCFMCMFOEIAA-NSHDSACASA-N 1 2 244.342 2.957 10 0 BFAELO Cc1cc(N)c2cc(F)cc(Cl)c2[nH+]1 ZINC000050869887 178103215 /nfs/dbraw/zinc/10/32/15/178103215.db2.gz YKWBFQRMNSSFJX-UHFFFAOYSA-N 1 2 210.639 2.918 10 0 BFAELO Cc1cc([NH3+])ccc1N[C@H](C)[C@H]1CCCO1 ZINC000035734627 178107135 /nfs/dbraw/zinc/10/71/35/178107135.db2.gz XEIHIMBNOKBBEW-ZWNOBZJWSA-N 1 2 220.316 2.557 10 0 BFAELO Cc1cc([NH3+])ccc1NC[C@@H]1CCCCO1 ZINC000042813535 178107599 /nfs/dbraw/zinc/10/75/99/178107599.db2.gz VMKZVDXWXZPEJJ-LBPRGKRZSA-N 1 2 220.316 2.558 10 0 BFAELO Cc1cc(N)ccc1[NH2+]C[C@@H]1CCCCO1 ZINC000042813535 178107601 /nfs/dbraw/zinc/10/76/01/178107601.db2.gz VMKZVDXWXZPEJJ-LBPRGKRZSA-N 1 2 220.316 2.558 10 0 BFAELO Cc1cc(NC(=O)N[C@H](C)CC2CC2)cc[nH+]1 ZINC000119379651 178142051 /nfs/dbraw/zinc/14/20/51/178142051.db2.gz KSNHZZIHBKLURA-SNVBAGLBSA-N 1 2 233.315 2.700 10 0 BFAELO Cc1cc2[nH+]cn([C@H]3CCC[C@@H]3O)c2cc1C ZINC000037490376 178305458 /nfs/dbraw/zinc/30/54/58/178305458.db2.gz HRZKIHZHQSTAIP-JSGCOSHPSA-N 1 2 230.311 2.739 10 0 BFAELO CCCc1[nH+]c(C)c2c(C)nc3ncsc3n12 ZINC000146720595 342771228 /nfs/dbraw/zinc/77/12/28/342771228.db2.gz GUURQIKFMACTPV-UHFFFAOYSA-N 1 2 246.339 2.908 10 0 BFAELO CCc1nc(CC)c(Cc2c[nH]c[nH+]2)s1 ZINC000013802755 342872184 /nfs/dbraw/zinc/87/21/84/342872184.db2.gz IUAILLRXYSNSTK-UHFFFAOYSA-N 1 2 221.329 2.582 10 0 BFAELO Cc1nnsc1[C@H]([NH3+])c1sccc1Cl ZINC000229961227 342859192 /nfs/dbraw/zinc/85/91/92/342859192.db2.gz ZSTQZWJSQOPDPJ-LURJTMIESA-N 1 2 245.760 2.610 10 0 BFAELO Cc1[nH+]cn(-c2nc(Cl)cs2)c1C ZINC000165239918 342888428 /nfs/dbraw/zinc/88/84/28/342888428.db2.gz PYXLRSCLDRNZRO-UHFFFAOYSA-N 1 2 213.693 2.599 10 0 BFAELO Cc1ccc(NC(=O)N2C[C@H]3CCC[C@H]32)c(C)[nH+]1 ZINC000336310697 398329821 /nfs/dbraw/zinc/32/98/21/398329821.db2.gz MPSPXEALQJHDJM-DGCLKSJQSA-N 1 2 245.326 2.715 10 0 BFAELO Nc1cc[nH+]c(Sc2cccs2)c1 ZINC000043569707 343179539 /nfs/dbraw/zinc/17/95/39/343179539.db2.gz ACOKFHHTJXJECI-UHFFFAOYSA-N 1 2 208.311 2.877 10 0 BFAELO CCc1ccnc([C@@H](C)c2c[nH]c[nH+]2)c1 ZINC000034027573 343263819 /nfs/dbraw/zinc/26/38/19/343263819.db2.gz SHCGPNXFLWRYMG-SECBINFHSA-N 1 2 201.273 2.519 10 0 BFAELO O=C1CCCC[C@@H]1c1ccc2[nH+]ccn2c1 ZINC000034537435 343274304 /nfs/dbraw/zinc/27/43/04/343274304.db2.gz UVUOVBKYCRDAHA-LLVKDONJSA-N 1 2 214.268 2.561 10 0 BFAELO COC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(C)c(C)c1 ZINC000037073894 343332795 /nfs/dbraw/zinc/33/27/95/343332795.db2.gz KSXWIRHLEMMWFC-NEPJUHHUSA-N 1 2 235.327 2.516 10 0 BFAELO CC(C)(C)OC(=O)Nc1cccc2[nH+]ccn21 ZINC000039076784 343381275 /nfs/dbraw/zinc/38/12/75/343381275.db2.gz QIHZGABAFVTOKE-UHFFFAOYSA-N 1 2 233.271 2.681 10 0 BFAELO CN(C)c1cc[nH+]c2c1c1ccccc1n2C ZINC000039110888 343385449 /nfs/dbraw/zinc/38/54/49/343385449.db2.gz BQVBQKAMFCHPKE-UHFFFAOYSA-N 1 2 225.295 2.793 10 0 BFAELO C[C@H]1CS[C@H](c2occc2Br)[NH2+]1 ZINC000235673880 344033241 /nfs/dbraw/zinc/03/32/41/344033241.db2.gz QFTYTYSKGANROC-YLWLKBPMSA-N 1 2 248.145 2.766 10 0 BFAELO CC(C)[N@@H+]1CCOC[C@H]1c1cccc(F)c1 ZINC000165483176 343448611 /nfs/dbraw/zinc/44/86/11/343448611.db2.gz JRSHLSGRHGZKHK-ZDUSSCGKSA-N 1 2 223.291 2.607 10 0 BFAELO CC(C)[N@H+]1CCOC[C@H]1c1cccc(F)c1 ZINC000165483176 343448613 /nfs/dbraw/zinc/44/86/13/343448613.db2.gz JRSHLSGRHGZKHK-ZDUSSCGKSA-N 1 2 223.291 2.607 10 0 BFAELO CC[N@@H+]1CCOC[C@H]1c1cccc(Cl)c1 ZINC000616642110 343529326 /nfs/dbraw/zinc/52/93/26/343529326.db2.gz VUGLGGWVPXPSGN-LBPRGKRZSA-N 1 2 225.719 2.733 10 0 BFAELO CC[N@H+]1CCOC[C@H]1c1cccc(Cl)c1 ZINC000616642110 343529327 /nfs/dbraw/zinc/52/93/27/343529327.db2.gz VUGLGGWVPXPSGN-LBPRGKRZSA-N 1 2 225.719 2.733 10 0 BFAELO Nc1cc(Sc2ccccc2)cc[nH+]1 ZINC000039370234 187263655 /nfs/dbraw/zinc/26/36/55/187263655.db2.gz ATVRGZFHKLCSLX-UHFFFAOYSA-N 1 2 202.282 2.815 10 0 BFAELO CCNc1cc(NCc2ccccc2)nc[nH+]1 ZINC000128358846 346952233 /nfs/dbraw/zinc/95/22/33/346952233.db2.gz GYVXWFQIZLNGQA-UHFFFAOYSA-N 1 2 228.299 2.521 10 0 BFAELO CCNc1cc(NCc2ccccc2)[nH+]cn1 ZINC000128358846 346952236 /nfs/dbraw/zinc/95/22/36/346952236.db2.gz GYVXWFQIZLNGQA-UHFFFAOYSA-N 1 2 228.299 2.521 10 0 BFAELO CC(C)(C)Cc1cc(N)nc(C2CC2)[nH+]1 ZINC000044262915 343780660 /nfs/dbraw/zinc/78/06/60/343780660.db2.gz OMAPFLCAHWXIDA-UHFFFAOYSA-N 1 2 205.305 2.525 10 0 BFAELO Cc1cnc([C@H](C)[NH2+]Cc2ccncc2C)o1 ZINC000384868772 344193205 /nfs/dbraw/zinc/19/32/05/344193205.db2.gz QMCQGHPGKIUDAY-NSHDSACASA-N 1 2 231.299 2.537 10 0 BFAELO Fc1cccc(NC2=[NH+]CCCS2)c1 ZINC000000165040 344583270 /nfs/dbraw/zinc/58/32/70/344583270.db2.gz YXFZWKHENKAPHZ-UHFFFAOYSA-N 1 2 210.277 2.731 10 0 BFAELO Cc1noc([C@H](C)[NH2+][C@H](C)c2cccs2)n1 ZINC000309424787 347059590 /nfs/dbraw/zinc/05/95/90/347059590.db2.gz KGMCHHCKZXZAQT-SFYZADRCSA-N 1 2 237.328 2.851 10 0 BFAELO Cc1ccncc1[C@@H]1[NH2+]CC[C@@H](C)S1 ZINC000135523826 344741907 /nfs/dbraw/zinc/74/19/07/344741907.db2.gz NFAJLDCYXDGBLF-MWLCHTKSSA-N 1 2 208.330 2.504 10 0 BFAELO Cc1[nH]c(-c2cc(C)ccc2N)[nH+]c1C ZINC000082531542 178702859 /nfs/dbraw/zinc/70/28/59/178702859.db2.gz WITXRELICXULIA-UHFFFAOYSA-N 1 2 201.273 2.584 10 0 BFAELO CC/C=C\CC[N@@H+]1CCCC[C@H]1c1nnc[nH]1 ZINC000583363206 344816921 /nfs/dbraw/zinc/81/69/21/344816921.db2.gz UPHMCFXFRKMFRN-MVZIDQBPSA-N 1 2 234.347 2.688 10 0 BFAELO CC/C=C\CC[N@H+]1CCCC[C@H]1c1nnc[nH]1 ZINC000583363206 344816923 /nfs/dbraw/zinc/81/69/23/344816923.db2.gz UPHMCFXFRKMFRN-MVZIDQBPSA-N 1 2 234.347 2.688 10 0 BFAELO CC/C=C\CC[N@@H+]1CCCC[C@H]1c1nc[nH]n1 ZINC000583363206 344816924 /nfs/dbraw/zinc/81/69/24/344816924.db2.gz UPHMCFXFRKMFRN-MVZIDQBPSA-N 1 2 234.347 2.688 10 0 BFAELO CC/C=C\CC[N@H+]1CCCC[C@H]1c1nc[nH]n1 ZINC000583363206 344816925 /nfs/dbraw/zinc/81/69/25/344816925.db2.gz UPHMCFXFRKMFRN-MVZIDQBPSA-N 1 2 234.347 2.688 10 0 BFAELO C[C@@H]1CS[C@@H](c2occc2Br)[NH2+]1 ZINC000235358494 344892230 /nfs/dbraw/zinc/89/22/30/344892230.db2.gz QFTYTYSKGANROC-XRGYYRRGSA-N 1 2 248.145 2.766 10 0 BFAELO Cc1ccc(N[C@H]2CCCc3c2cnn3C)c[nH+]1 ZINC000154241628 345022311 /nfs/dbraw/zinc/02/23/11/345022311.db2.gz QMGBXNQUPLLWFS-ZDUSSCGKSA-N 1 2 242.326 2.613 10 0 BFAELO O=C1CC[N@@H+]2CCc3c4ccccc4oc3[C@H]2C1 ZINC000033979160 345814817 /nfs/dbraw/zinc/81/48/17/345814817.db2.gz ZRDWYECCNDBGMN-CYBMUJFWSA-N 1 2 241.290 2.695 10 0 BFAELO O=C1CC[N@H+]2CCc3c4ccccc4oc3[C@H]2C1 ZINC000033979160 345814818 /nfs/dbraw/zinc/81/48/18/345814818.db2.gz ZRDWYECCNDBGMN-CYBMUJFWSA-N 1 2 241.290 2.695 10 0 BFAELO CC[C@H]1CC[C@H](C)[N@@H+]1Cc1nnc(Cl)s1 ZINC000136108385 345845676 /nfs/dbraw/zinc/84/56/76/345845676.db2.gz FUZOKIUHJAFUFG-YUMQZZPRSA-N 1 2 245.779 2.954 10 0 BFAELO CC[C@H]1CC[C@H](C)[N@H+]1Cc1nnc(Cl)s1 ZINC000136108385 345845679 /nfs/dbraw/zinc/84/56/79/345845679.db2.gz FUZOKIUHJAFUFG-YUMQZZPRSA-N 1 2 245.779 2.954 10 0 BFAELO c1[nH]cc(C[C@H]2CCc3ccccc3C2)[nH+]1 ZINC000034481797 345835314 /nfs/dbraw/zinc/83/53/14/345835314.db2.gz KHWVTSPEKQKARQ-NSHDSACASA-N 1 2 212.296 2.757 10 0 BFAELO c1[nH]c(C[C@H]2CCc3ccccc3C2)c[nH+]1 ZINC000034481797 345835316 /nfs/dbraw/zinc/83/53/16/345835316.db2.gz KHWVTSPEKQKARQ-NSHDSACASA-N 1 2 212.296 2.757 10 0 BFAELO CC[C@H]1CS[C@@H](c2nc(C)cs2)[NH2+]1 ZINC000159623293 346426971 /nfs/dbraw/zinc/42/69/71/346426971.db2.gz ZVIXIFDQPKTOFJ-CBAPKCEASA-N 1 2 214.359 2.565 10 0 BFAELO C[NH2+][C@H](c1cnsn1)c1ccc(Cl)s1 ZINC000164704588 346618084 /nfs/dbraw/zinc/61/80/84/346618084.db2.gz BAGGNKACLNJNLN-MRVPVSSYSA-N 1 2 245.760 2.562 10 0 BFAELO COc1cc(C)[nH+]c2ccc(N(C)C(C)=O)cc21 ZINC000039121943 347179462 /nfs/dbraw/zinc/17/94/62/347179462.db2.gz JSWRKKBATAEWHL-UHFFFAOYSA-N 1 2 244.294 2.535 10 0 BFAELO Cc1ccccc1N(C)c1ccc(N)c[nH+]1 ZINC000049979739 179294652 /nfs/dbraw/zinc/29/46/52/179294652.db2.gz UIQTVKBBSYSYNI-UHFFFAOYSA-N 1 2 213.284 2.740 10 0 BFAELO Cc1ccccc1N[C@@H](C)c1[nH+]ccn1C ZINC000070007370 179306781 /nfs/dbraw/zinc/30/67/81/179306781.db2.gz JRKMGRUVCVLQAI-NSHDSACASA-N 1 2 215.300 2.902 10 0 BFAELO Cc1ccccc1OCc1cc[nH+]c(N)c1 ZINC000052734678 179313099 /nfs/dbraw/zinc/31/30/99/179313099.db2.gz GEKNISMIMCABGU-UHFFFAOYSA-N 1 2 214.268 2.551 10 0 BFAELO Cc1[nH+]c2ccc(Br)cc2n1C ZINC000076209869 180088669 /nfs/dbraw/zinc/08/86/69/180088669.db2.gz XXPOCWQCTILEQZ-UHFFFAOYSA-N 1 2 225.089 2.644 10 0 BFAELO Cc1[nH+]c2ccccc2n1C[C@@H](O)C(C)(C)C ZINC000044184673 180103366 /nfs/dbraw/zinc/10/33/66/180103366.db2.gz SJYPHYIJMNDMDT-CYBMUJFWSA-N 1 2 232.327 2.752 10 0 BFAELO Cc1ncc(CNc2ccc[nH+]c2N(C)C)s1 ZINC000037797355 180159423 /nfs/dbraw/zinc/15/94/23/180159423.db2.gz YZPRGGKOZNMNQL-UHFFFAOYSA-N 1 2 248.355 2.525 10 0 BFAELO Cc1ccc([C@@H](C)[NH2+]Cc2ccnc(C)n2)o1 ZINC000038037251 180191548 /nfs/dbraw/zinc/19/15/48/180191548.db2.gz DMBXMPIPRPZQDV-SNVBAGLBSA-N 1 2 231.299 2.537 10 0 BFAELO C[NH2+][C@]1(C(F)(F)F)CC[C@@H](C)[C@H](C)C1 ZINC000251886293 362974868 /nfs/dbraw/zinc/97/48/68/362974868.db2.gz RMOXSHSMWYPODB-IWSPIJDZSA-N 1 2 209.255 2.963 10 0 BFAELO CC(C)[N@@H+]1CCCC[C@@H]1OC(F)(F)F ZINC000616614488 350833375 /nfs/dbraw/zinc/83/33/75/350833375.db2.gz QVEHLVZBUWWASI-QMMMGPOBSA-N 1 2 211.227 2.743 10 0 BFAELO CC(C)[N@H+]1CCCC[C@@H]1OC(F)(F)F ZINC000616614488 350833376 /nfs/dbraw/zinc/83/33/76/350833376.db2.gz QVEHLVZBUWWASI-QMMMGPOBSA-N 1 2 211.227 2.743 10 0 BFAELO C[NH2+][C@@]1(C(F)(F)F)[C@H](C)CCC[C@@H]1C ZINC000251979571 363002631 /nfs/dbraw/zinc/00/26/31/363002631.db2.gz YPRKEOPHBILMMK-BRPSZJMVSA-N 1 2 209.255 2.963 10 0 BFAELO CC(C)(C)[N@@H+]1CCCCC[C@H]1c1cn[nH]n1 ZINC000616625642 351094543 /nfs/dbraw/zinc/09/45/43/351094543.db2.gz RYTHDIDHCVLCLH-NSHDSACASA-N 1 2 222.336 2.520 10 0 BFAELO CC(C)(C)[N@H+]1CCCCC[C@H]1c1cn[nH]n1 ZINC000616625642 351094544 /nfs/dbraw/zinc/09/45/44/351094544.db2.gz RYTHDIDHCVLCLH-NSHDSACASA-N 1 2 222.336 2.520 10 0 BFAELO CC(C)N1C[C@H](c2[nH]cc[nH+]2)Nc2ccccc21 ZINC000616683035 351253428 /nfs/dbraw/zinc/25/34/28/351253428.db2.gz NTBFUTPDFCTLSV-GFCCVEGCSA-N 1 2 242.326 2.791 10 0 BFAELO Nc1[nH+]cccc1[C@@H]1CCc2ccccc2N1 ZINC000616665879 351223505 /nfs/dbraw/zinc/22/35/05/351223505.db2.gz BDEKXGNKQRPIDR-ZDUSSCGKSA-N 1 2 225.295 2.763 10 0 BFAELO Nc1[nH+]cccc1[C@H]1CCc2ccccc2N1 ZINC000616667978 351224804 /nfs/dbraw/zinc/22/48/04/351224804.db2.gz BDEKXGNKQRPIDR-CYBMUJFWSA-N 1 2 225.295 2.763 10 0 BFAELO Cc1cc([C@@H]2[NH2+][C@H](C)CCS2)sn1 ZINC000404439522 351449652 /nfs/dbraw/zinc/44/96/52/351449652.db2.gz ITCJOCNKIKGBRV-HZGVNTEJSA-N 1 2 214.359 2.565 10 0 BFAELO Clc1cccc([C@@H]2COCC[NH2+]2)c1Cl ZINC000076136663 180591787 /nfs/dbraw/zinc/59/17/87/180591787.db2.gz FJNBISFSQGBEFQ-VIFPVBQESA-N 1 2 232.110 2.654 10 0 BFAELO O=C1SCC[C@H]1[NH2+]Cc1ccc(Cl)s1 ZINC000307287442 351850129 /nfs/dbraw/zinc/85/01/29/351850129.db2.gz URBIGZWHSPXQOZ-SSDOTTSWSA-N 1 2 247.772 2.523 10 0 BFAELO CC[N@H+](C)c1ccc(N)c(C(F)(F)F)c1 ZINC000037078329 188279211 /nfs/dbraw/zinc/27/92/11/188279211.db2.gz HHTDWMFMBRVDRG-UHFFFAOYSA-N 1 2 218.222 2.744 10 0 BFAELO CC[N@@H+](C)c1ccc(N)c(C(F)(F)F)c1 ZINC000037078329 188279213 /nfs/dbraw/zinc/27/92/13/188279213.db2.gz HHTDWMFMBRVDRG-UHFFFAOYSA-N 1 2 218.222 2.744 10 0 BFAELO Nc1ccc(SC/C=C/Cl)c[nH+]1 ZINC000037192707 188286786 /nfs/dbraw/zinc/28/67/86/188286786.db2.gz PBQWGJIGYRTGPI-DAFODLJHSA-N 1 2 200.694 2.508 10 0 BFAELO C[C@H]1CC(CNc2cccc[nH+]2)C[C@H](C)O1 ZINC000335606817 188338220 /nfs/dbraw/zinc/33/82/20/188338220.db2.gz QEWBDMTVWUOFQA-QWRGUYRKSA-N 1 2 220.316 2.697 10 0 BFAELO CC[C@@H]1C[C@H]1Nc1cc(N)cc(Cl)[nH+]1 ZINC000229540670 353475790 /nfs/dbraw/zinc/47/57/90/353475790.db2.gz UCIRJNYSOZIHCT-HTRCEHHLSA-N 1 2 211.696 2.528 10 0 BFAELO CCc1cnc([C@H](C)Nc2cc(C)[nH+]cn2)s1 ZINC000134927557 353513136 /nfs/dbraw/zinc/51/31/36/353513136.db2.gz JYVBDFKMCFCYEW-VIFPVBQESA-N 1 2 248.355 2.977 10 0 BFAELO CC1(CNc2cc(N)cc(Cl)[nH+]2)CC1 ZINC000229549561 353542415 /nfs/dbraw/zinc/54/24/15/353542415.db2.gz SEGPUMXYODYZQB-UHFFFAOYSA-N 1 2 211.696 2.529 10 0 BFAELO CC(C)n1c[nH+]cc1-c1ccc(N)cc1 ZINC000084324924 538532195 /nfs/dbraw/zinc/53/21/95/538532195.db2.gz YEWGUDHVKMDNRI-UHFFFAOYSA-N 1 2 201.273 2.713 10 0 BFAELO CCOC(=[NH2+])c1c(O)ccc2ccccc21 ZINC000038952383 358213340 /nfs/dbraw/zinc/21/33/40/358213340.db2.gz VPDABOROMJYOPB-UHFFFAOYSA-N 1 2 215.252 2.907 10 0 BFAELO CCOC(=O)[C@H]1CC[C@H](c2[nH+]cccc2N)CC1 ZINC000584601327 358258406 /nfs/dbraw/zinc/25/84/06/358258406.db2.gz MSXHIEYDNACVMC-XYPYZODXSA-N 1 2 248.326 2.501 10 0 BFAELO CCC[C@@H]1Cc2cc(OC)c(OC)cc2C=[NH+]1 ZINC000584606484 358265724 /nfs/dbraw/zinc/26/57/24/358265724.db2.gz WXWJFVQCGBTUTN-GFCCVEGCSA-N 1 2 233.311 2.848 10 0 BFAELO C[C@@H]1CC(Cc2ccccc2)C[C@@H](C)N1[NH3+] ZINC000584620925 358287973 /nfs/dbraw/zinc/28/79/73/358287973.db2.gz STZSYLWZTDJHJU-VXGBXAGGSA-N 1 2 218.344 2.592 10 0 BFAELO OCc1cc(OC2CCC(F)(F)CC2)cc[nH+]1 ZINC000584629161 358298598 /nfs/dbraw/zinc/29/85/98/358298598.db2.gz JMFXAFWBHBDUES-UHFFFAOYSA-N 1 2 243.253 2.531 10 0 BFAELO Cn1cccc(Cl)/c1=[NH+]\c1ccccc1 ZINC000584643277 358328690 /nfs/dbraw/zinc/32/86/90/358328690.db2.gz HXTHIHGIISGXMS-WYMLVPIESA-N 1 2 218.687 2.911 10 0 BFAELO c1ccc2c(c1)CC[N@H+]1Cc3cccnc3C[C@@H]21 ZINC000584640056 358325432 /nfs/dbraw/zinc/32/54/32/358325432.db2.gz ISALQUHTWBTCIS-INIZCTEOSA-N 1 2 236.318 2.737 10 0 BFAELO c1ccc2c(c1)CC[N@@H+]1Cc3cccnc3C[C@@H]21 ZINC000584640056 358325437 /nfs/dbraw/zinc/32/54/37/358325437.db2.gz ISALQUHTWBTCIS-INIZCTEOSA-N 1 2 236.318 2.737 10 0 BFAELO COc1ccc2c[nH+]c(C)cc2c1OC ZINC000230498829 358400118 /nfs/dbraw/zinc/40/01/18/358400118.db2.gz LXBHIXDRJGUCTM-UHFFFAOYSA-N 1 2 203.241 2.560 10 0 BFAELO CCn1cc[nH+]c1CSCCCCCOC ZINC000175299035 134287020 /nfs/dbraw/zinc/28/70/20/134287020.db2.gz BXIYEFBOECNPDG-UHFFFAOYSA-N 1 2 242.388 2.953 10 0 BFAELO C[C@H]1CS[C@H](c2cccc(O)c2Cl)[NH2+]1 ZINC000306179555 358992092 /nfs/dbraw/zinc/99/20/92/358992092.db2.gz IMAYVVVEFBKQLW-QUBYGPBYSA-N 1 2 229.732 2.769 10 0 BFAELO CSCc1cc[nH+]c(NC2CCC2)c1 ZINC000306210934 359304314 /nfs/dbraw/zinc/30/43/14/359304314.db2.gz GXXVPBSCRPFQJI-UHFFFAOYSA-N 1 2 208.330 2.909 10 0 BFAELO C[C@H]1CC[N@H+](CC(=O)c2ccc(Cl)s2)C1 ZINC000040719199 359914489 /nfs/dbraw/zinc/91/44/89/359914489.db2.gz KFMMUEBRACUPFC-QMMMGPOBSA-N 1 2 243.759 2.926 10 0 BFAELO C[C@H]1CC[N@@H+](CC(=O)c2ccc(Cl)s2)C1 ZINC000040719199 359914494 /nfs/dbraw/zinc/91/44/94/359914494.db2.gz KFMMUEBRACUPFC-QMMMGPOBSA-N 1 2 243.759 2.926 10 0 BFAELO c1csc(C2=CC[N@H+](Cc3c[nH]cn3)CC2)c1 ZINC000093533763 360255994 /nfs/dbraw/zinc/25/59/94/360255994.db2.gz ULFFIEGBCFXBPB-UHFFFAOYSA-N 1 2 245.351 2.761 10 0 BFAELO c1csc(C2=CC[N@@H+](Cc3c[nH]cn3)CC2)c1 ZINC000093533763 360255997 /nfs/dbraw/zinc/25/59/97/360255997.db2.gz ULFFIEGBCFXBPB-UHFFFAOYSA-N 1 2 245.351 2.761 10 0 BFAELO C[C@@H](c1sccc1Cl)[NH+]1CCOCC1 ZINC000306595238 360516434 /nfs/dbraw/zinc/51/64/34/360516434.db2.gz XSTARIGBLFYDHQ-QMMMGPOBSA-N 1 2 231.748 2.795 10 0 BFAELO CO[C@@H](C)CSCc1[nH+]ccn1C(C)C ZINC000181136296 366789131 /nfs/dbraw/zinc/78/91/31/366789131.db2.gz SWZDWSIVRLVAMG-JTQLQIEISA-N 1 2 228.361 2.732 10 0 BFAELO COc1cccc(Cl)c1[C@@H]1[NH2+]CCS1 ZINC000162065757 371608742 /nfs/dbraw/zinc/60/87/42/371608742.db2.gz LDVOBRGUXQTRKS-SNVBAGLBSA-N 1 2 229.732 2.684 10 0 BFAELO OCCc1ccc([NH+]2CCCCCC2)cc1 ZINC000071522006 183100271 /nfs/dbraw/zinc/10/02/71/183100271.db2.gz UKXHYNZNTNWXQW-UHFFFAOYSA-N 1 2 219.328 2.602 10 0 BFAELO O[C@@H](c1c[nH]c[nH+]1)c1cccc2ccccc21 ZINC000013737888 183184467 /nfs/dbraw/zinc/18/44/67/183184467.db2.gz GABDNCQOTDJOGF-CQSZACIVSA-N 1 2 224.263 2.645 10 0 BFAELO O[C@H]1CCC[C@@H]1n1cc[nH+]c1-c1ccccc1 ZINC000042267954 183236913 /nfs/dbraw/zinc/23/69/13/183236913.db2.gz YTHJTUNXDDWCTA-STQMWFEESA-N 1 2 228.295 2.636 10 0 BFAELO Oc1cc2c(cc1Br)[NH2+]CCC2 ZINC000082351142 183261876 /nfs/dbraw/zinc/26/18/76/183261876.db2.gz BRTXKZVHIFXLNN-UHFFFAOYSA-N 1 2 228.089 2.513 10 0 BFAELO c1cn2c(cccc2-c2cccc3[nH+]ccn32)n1 ZINC000089201315 183328735 /nfs/dbraw/zinc/32/87/35/183328735.db2.gz RAGWIEZNYRJZKK-UHFFFAOYSA-N 1 2 234.262 2.649 10 0 BFAELO c1c(Cc2ccccc2)[nH+]c2ccccn12 ZINC000026571620 183411330 /nfs/dbraw/zinc/41/13/30/183411330.db2.gz BOYDQUIVNHEZFN-UHFFFAOYSA-N 1 2 208.264 2.925 10 0 BFAELO c1nnc([C@@H]2CCCC[N@H+]2Cc2ccccc2)[nH]1 ZINC000121631947 183397086 /nfs/dbraw/zinc/39/70/86/183397086.db2.gz AENMFSUADJPVLQ-ZDUSSCGKSA-N 1 2 242.326 2.532 10 0 BFAELO c1nnc([C@@H]2CCCC[N@@H+]2Cc2ccccc2)[nH]1 ZINC000121631947 183397091 /nfs/dbraw/zinc/39/70/91/183397091.db2.gz AENMFSUADJPVLQ-ZDUSSCGKSA-N 1 2 242.326 2.532 10 0 BFAELO CCC[NH2+][C@@H](C(=O)OCC)c1ccc(C)cc1C ZINC000037513680 169274051 /nfs/dbraw/zinc/27/40/51/169274051.db2.gz YPNQIWADWRYKME-CQSZACIVSA-N 1 2 249.354 2.907 10 0 BFAELO CCC[NH2+][C@@](CCC)(C(=O)OC)c1ccccc1 ZINC000037513430 169283895 /nfs/dbraw/zinc/28/38/95/169283895.db2.gz UIQJRKDRECJXKJ-OAHLLOKOSA-N 1 2 249.354 2.855 10 0 BFAELO CCCNc1nc([C@@H]2CCOC2)[nH+]c(CC)c1C ZINC000104156880 169296004 /nfs/dbraw/zinc/29/60/04/169296004.db2.gz CCSKKPHQKAFIJF-LLVKDONJSA-N 1 2 249.358 2.673 10 0 BFAELO c1[nH+]c2ccccn2c1[C@H]1CCCCO1 ZINC000089200974 383944387 /nfs/dbraw/zinc/94/43/87/383944387.db2.gz BNJXWKZKIJTHEI-LLVKDONJSA-N 1 2 202.257 2.576 10 0 BFAELO c1[nH]cc(Cc2ccnc3ccccc23)[nH+]1 ZINC000039134200 384108579 /nfs/dbraw/zinc/10/85/79/384108579.db2.gz LJNABVNRZPCNJH-UHFFFAOYSA-N 1 2 209.252 2.549 10 0 BFAELO CC[C@@H](C)C[S@](=O)Cc1[nH+]ccn1C(C)C ZINC000133730960 384309986 /nfs/dbraw/zinc/30/99/86/384309986.db2.gz ARIDMPOKBMJATJ-BDJLRTHQSA-N 1 2 242.388 2.759 10 0 BFAELO Cc1ccc(N[C@@H]2C[C@H]3CC[C@@H]2C3)c[nH+]1 ZINC000096033341 384424716 /nfs/dbraw/zinc/42/47/16/384424716.db2.gz WBKRLJOIYKZSCU-DMDPSCGWSA-N 1 2 202.301 2.991 10 0 BFAELO C[C@@H]1CC(CNc2cccc[nH+]2)C[C@@H](C)O1 ZINC000335606816 384379029 /nfs/dbraw/zinc/37/90/29/384379029.db2.gz QEWBDMTVWUOFQA-GHMZBOCLSA-N 1 2 220.316 2.697 10 0 BFAELO CCOC(=O)C(C)(C)CCCCn1cc[nH+]c1 ZINC000039320237 384676433 /nfs/dbraw/zinc/67/64/33/384676433.db2.gz INGHSXXFORJTMX-UHFFFAOYSA-N 1 2 238.331 2.643 10 0 BFAELO Cc1cc[nH+]cc1N[C@H]1CSC[C@H]1C ZINC000295705583 384690224 /nfs/dbraw/zinc/69/02/24/384690224.db2.gz MQYJBNLIWQEHHY-KOLCDFICSA-N 1 2 208.330 2.553 10 0 BFAELO Cc1[nH+]c(-n2cccc2)c(C)c(C)c1O ZINC000143789018 384744671 /nfs/dbraw/zinc/74/46/71/384744671.db2.gz GLOGFDFBRUWQIX-UHFFFAOYSA-N 1 2 202.257 2.503 10 0 BFAELO CCC[C@H]1C[C@H]1Nc1cc[nH+]c(C2CC2)n1 ZINC000301439557 384874646 /nfs/dbraw/zinc/87/46/46/384874646.db2.gz LVVZGEXCRUUMFB-WDEREUQCSA-N 1 2 217.316 2.955 10 0 BFAELO CCOC(=O)[C@H](CC)[NH2+][C@@H](C)c1ccccc1C ZINC000084102367 384839553 /nfs/dbraw/zinc/83/95/53/384839553.db2.gz SRWZXDUNOKLBJJ-JSGCOSHPSA-N 1 2 249.354 2.987 10 0 BFAELO C[C@@H]([NH2+]Cc1c[nH]cn1)c1ccc(F)c(F)c1 ZINC000054764296 384851920 /nfs/dbraw/zinc/85/19/20/384851920.db2.gz KBRBGKWSUAMFDR-MRVPVSSYSA-N 1 2 237.253 2.539 10 0 BFAELO CC[C@H]([NH2+][C@H]1CCCc2ccccc21)C(=O)OC ZINC000105993825 384895050 /nfs/dbraw/zinc/89/50/50/384895050.db2.gz QCMQDZGSJYQVOS-KBPBESRZSA-N 1 2 247.338 2.605 10 0 BFAELO CCC(CC)[S@](=O)Cc1[nH+]ccn1C(C)C ZINC000177115087 385184743 /nfs/dbraw/zinc/18/47/43/385184743.db2.gz AYZAUKPIWDITFL-MRXNPFEDSA-N 1 2 242.388 2.901 10 0 BFAELO FC(F)CNc1cc(C(F)(F)F)cc[nH+]1 ZINC000131916889 385367915 /nfs/dbraw/zinc/36/79/15/385367915.db2.gz XACRSETYYGXZAU-UHFFFAOYSA-N 1 2 226.148 2.777 10 0 BFAELO C/C=C/CCNc1cc[nH+]c(C2CC2)n1 ZINC000114710445 385436160 /nfs/dbraw/zinc/43/61/60/385436160.db2.gz HOCLITIMOTXCOK-NSCUHMNNSA-N 1 2 203.289 2.732 10 0 BFAELO c1csc([C@H]2CCCCN2Cc2c[nH+]c[nH]2)n1 ZINC000179830328 385494282 /nfs/dbraw/zinc/49/42/82/385494282.db2.gz LQVDFOHUGBYBTR-LLVKDONJSA-N 1 2 248.355 2.593 10 0 BFAELO c1csc([C@H]2CCCCN2Cc2c[nH]c[nH+]2)n1 ZINC000179830328 385494285 /nfs/dbraw/zinc/49/42/85/385494285.db2.gz LQVDFOHUGBYBTR-LLVKDONJSA-N 1 2 248.355 2.593 10 0 BFAELO CCCCC[S@@](=O)Cc1[nH+]ccn1C(C)C ZINC000180549341 385529257 /nfs/dbraw/zinc/52/92/57/385529257.db2.gz LNEILUSJWYZGHQ-MRXNPFEDSA-N 1 2 242.388 2.903 10 0 BFAELO CC(C)c1nc(N[C@@H](C)[C@H]2CCCO2)cc[nH+]1 ZINC000301215001 386826454 /nfs/dbraw/zinc/82/64/54/386826454.db2.gz ZJNGHEBQXOPZTA-WDEREUQCSA-N 1 2 235.331 2.579 10 0 BFAELO C[C@@H]([NH2+]Cc1ncc[nH]1)c1cc(F)ccc1F ZINC000049714903 387006004 /nfs/dbraw/zinc/00/60/04/387006004.db2.gz OIMZZICDGSLGGO-MRVPVSSYSA-N 1 2 237.253 2.539 10 0 BFAELO C[C@@H](NCc1[nH]cc[nH+]1)c1cc(F)ccc1F ZINC000049714903 387006009 /nfs/dbraw/zinc/00/60/09/387006009.db2.gz OIMZZICDGSLGGO-MRVPVSSYSA-N 1 2 237.253 2.539 10 0 BFAELO CC(C)c1nc([C@@H]2CCC[N@@H+]2CCCF)no1 ZINC000125555616 387661670 /nfs/dbraw/zinc/66/16/70/387661670.db2.gz GMHJQGOZUMWLCL-JTQLQIEISA-N 1 2 241.310 2.690 10 0 BFAELO CC(C)c1nc([C@@H]2CCC[N@H+]2CCCF)no1 ZINC000125555616 387661676 /nfs/dbraw/zinc/66/16/76/387661676.db2.gz GMHJQGOZUMWLCL-JTQLQIEISA-N 1 2 241.310 2.690 10 0 BFAELO CCc1cnc(NCc2[nH+]ccn2CC)s1 ZINC000309467036 387803224 /nfs/dbraw/zinc/80/32/24/387803224.db2.gz PQVXEUUXQHXJLW-UHFFFAOYSA-N 1 2 236.344 2.534 10 0 BFAELO Cc1cnc([C@H](C)[NH2+]Cc2ccnn2C(C)C)o1 ZINC000337201673 388849324 /nfs/dbraw/zinc/84/93/24/388849324.db2.gz GECPBWIVLUUHLU-NSHDSACASA-N 1 2 248.330 2.611 10 0 BFAELO Clc1c[nH]c2nc[nH+]c(N3CCCCC3)c12 ZINC000000024366 132312275 /nfs/dbraw/zinc/31/22/75/132312275.db2.gz ZYUZIQCTDGCTPB-UHFFFAOYSA-N 1 2 236.706 2.602 10 0 BFAELO Cc1cc([NH+]2C[C@H](C)C[C@@H](C)C2)ccc1CO ZINC000050582562 132359261 /nfs/dbraw/zinc/35/92/61/132359261.db2.gz ISSAYUJTFGXPIB-VXGBXAGGSA-N 1 2 233.355 2.970 10 0 BFAELO CCO[C@@H]1CCCN(c2ccc([NH3+])cc2C)C1 ZINC000058950031 132368515 /nfs/dbraw/zinc/36/85/15/132368515.db2.gz QSNBGFKGRPDBPN-CYBMUJFWSA-N 1 2 234.343 2.583 10 0 BFAELO Cc1cnc([C@H](C)[NH2+]Cc2cccc(C)n2)o1 ZINC000220913501 134314761 /nfs/dbraw/zinc/31/47/61/134314761.db2.gz MYTJHWYLKSKUOB-NSHDSACASA-N 1 2 231.299 2.537 10 0 BFAELO Cc1cnc([C@@H](C)[NH2+]Cc2cccc(C)n2)o1 ZINC000220913441 134315015 /nfs/dbraw/zinc/31/50/15/134315015.db2.gz MYTJHWYLKSKUOB-LLVKDONJSA-N 1 2 231.299 2.537 10 0 BFAELO Cc1cnc([C@H](C)[NH2+]Cc2ccc(F)cc2)o1 ZINC000220883364 134316410 /nfs/dbraw/zinc/31/64/10/134316410.db2.gz RPBKGHFGTROHBG-JTQLQIEISA-N 1 2 234.274 2.973 10 0 BFAELO Cc1cnc([C@H](C)[NH2+]Cc2ccccc2)o1 ZINC000220878330 134316716 /nfs/dbraw/zinc/31/67/16/134316716.db2.gz GXOZJYAGZDWAGN-NSHDSACASA-N 1 2 216.284 2.834 10 0 BFAELO Cc1cn(COCC[Si](C)(C)C)c[nH+]1 ZINC000196142290 397951738 /nfs/dbraw/zinc/95/17/38/397951738.db2.gz CEEMYEVZMRJTDG-UHFFFAOYSA-N 1 2 212.369 2.504 10 0 BFAELO CCN1c2ccccc2CC[C@H]1c1[nH]cc[nH+]1 ZINC000616671236 397918535 /nfs/dbraw/zinc/91/85/35/397918535.db2.gz SQZALGNNVUDHDN-ZDUSSCGKSA-N 1 2 227.311 2.924 10 0 BFAELO CN1CC[NH2+][C@@H]1c1ccc(Cl)cc1Cl ZINC000022861897 397976124 /nfs/dbraw/zinc/97/61/24/397976124.db2.gz KXZNGVVLDAKMEL-JTQLQIEISA-N 1 2 231.126 2.527 10 0 BFAELO Cc1cc[nH+]cc1N[C@@H]1CS[C@@H](C)C1 ZINC000086935985 487587225 /nfs/dbraw/zinc/58/72/25/487587225.db2.gz SAAXNXHGCXVINP-UWVGGRQHSA-N 1 2 208.330 2.696 10 0 BFAELO Brc1cnc2c(ccc3[nH+]ccn32)c1 ZINC000072193584 166104152 /nfs/dbraw/zinc/10/41/52/166104152.db2.gz ZIWUPURUKQOBFG-UHFFFAOYSA-N 1 2 248.083 2.645 10 0 BFAELO CC[NH2+][C@](C)(C(=O)OC)c1ccc(C(C)C)cc1 ZINC000037446817 170170221 /nfs/dbraw/zinc/17/02/21/170170221.db2.gz MDQREEFYBCAVSK-HNNXBMFYSA-N 1 2 249.354 2.808 10 0 BFAELO CCNc1cc(-c2ccccc2)[nH+]c(N(C)C)n1 ZINC000050848364 170171009 /nfs/dbraw/zinc/17/10/09/170171009.db2.gz KJDZZRGPNPZUQL-UHFFFAOYSA-N 1 2 242.326 2.641 10 0 BFAELO CCNc1cc(C)[nH+]c(-c2cccc(O)c2)n1 ZINC000050864629 170172335 /nfs/dbraw/zinc/17/23/35/170172335.db2.gz KNIBHNCKJXEVQF-UHFFFAOYSA-N 1 2 229.283 2.589 10 0 BFAELO CCNc1nc(C(C)C)[nH+]c2c1CCC2 ZINC000050847821 170176169 /nfs/dbraw/zinc/17/61/69/170176169.db2.gz DNWLTPYOVFTMNX-UHFFFAOYSA-N 1 2 205.305 2.521 10 0 BFAELO CCNc1nc(N2CCCC2)[nH+]c2ccccc21 ZINC000041147482 170176963 /nfs/dbraw/zinc/17/69/63/170176963.db2.gz NDZZIKNZGVOKEW-UHFFFAOYSA-N 1 2 242.326 2.662 10 0 BFAELO CCOC(=[NH2+])c1cc(C)ccc1OCC ZINC000039099484 170179981 /nfs/dbraw/zinc/17/99/81/170179981.db2.gz UNAUAKJXFYQDCM-UHFFFAOYSA-N 1 2 207.273 2.756 10 0 BFAELO CCOC(=O)[C@@](C)([NH2+][C@@H](C)CC)c1ccccc1 ZINC000038067739 170261877 /nfs/dbraw/zinc/26/18/77/170261877.db2.gz PZFLQGVHJYBEOE-WFASDCNBSA-N 1 2 249.354 2.853 10 0 BFAELO CCOC(=O)[C@H]([NH3+])c1c(Cl)cccc1Cl ZINC000037459938 170275623 /nfs/dbraw/zinc/27/56/23/170275623.db2.gz WOOIHMLXFGXRCC-SECBINFHSA-N 1 2 248.109 2.556 10 0 BFAELO CCOCCCn1c(C)[nH+]c2ccccc21 ZINC000040389453 170385674 /nfs/dbraw/zinc/38/56/74/170385674.db2.gz NFIPGIQDGQFQMK-UHFFFAOYSA-N 1 2 218.300 2.771 10 0 BFAELO CC[C@H](C)[NH2+][C@@H](C(=O)OC)c1ccc(C)c(C)c1 ZINC000038067319 171345540 /nfs/dbraw/zinc/34/55/40/171345540.db2.gz VDKFGJLQFLYTSZ-GXTWGEPZSA-N 1 2 249.354 2.906 10 0 BFAELO CC[C@H](C)[NH2+][C@H](CCc1ccccc1)C(=O)OC ZINC000061625640 171349001 /nfs/dbraw/zinc/34/90/01/171349001.db2.gz HTDDAZLPAZOVSH-GXTWGEPZSA-N 1 2 249.354 2.549 10 0 BFAELO CCc1ccc(-c2cc(N)nc(C)[nH+]2)cc1 ZINC000071518842 171778159 /nfs/dbraw/zinc/77/81/59/171778159.db2.gz QDMKYDXSXQLYFH-UHFFFAOYSA-N 1 2 213.284 2.597 10 0 BFAELO CCn1cc(Nc2[nH]c3ccccc3[nH+]2)cn1 ZINC000037756963 172187959 /nfs/dbraw/zinc/18/79/59/172187959.db2.gz UDZVTNURKWUEGP-UHFFFAOYSA-N 1 2 227.271 2.523 10 0 BFAELO CCn1cc[nH+]c1CSc1cccc(O)c1 ZINC000127018561 172225418 /nfs/dbraw/zinc/22/54/18/172225418.db2.gz ISIYLGBRSACERT-UHFFFAOYSA-N 1 2 234.324 2.901 10 0 BFAELO CCn1ccnc1[C@H]([NH3+])c1ccc(Cl)s1 ZINC000051173286 172229022 /nfs/dbraw/zinc/22/90/22/172229022.db2.gz WUMOKUOOFKQYOJ-SECBINFHSA-N 1 2 241.747 2.666 10 0 BFAELO C[N@@H+]1C[C@H](c2cccc(O)c2)O[C@@H]1C(C)(C)C ZINC000005439711 173196322 /nfs/dbraw/zinc/19/63/22/173196322.db2.gz ORIOFGXXYYXLNY-CHWSQXEVSA-N 1 2 235.327 2.768 10 0 in-man BFAELO C[N@H+]1C[C@H](c2cccc(O)c2)O[C@@H]1C(C)(C)C ZINC000005439711 173196325 /nfs/dbraw/zinc/19/63/25/173196325.db2.gz ORIOFGXXYYXLNY-CHWSQXEVSA-N 1 2 235.327 2.768 10 0 in-man BFAELO COCCCSCc1[nH+]ccn1C(C)C ZINC000187852175 174258693 /nfs/dbraw/zinc/25/86/93/174258693.db2.gz VEEUGJNKTWFKTK-UHFFFAOYSA-N 1 2 228.361 2.734 10 0 BFAELO COCCN(CC(C)C)c1ccc([NH3+])cc1C ZINC000058939192 174288226 /nfs/dbraw/zinc/28/82/26/174288226.db2.gz LRMGSUPRPPYWFG-UHFFFAOYSA-N 1 2 236.359 2.686 10 0 BFAELO COC[C@H](CC(C)C)Nc1c[nH+]ccc1C ZINC000309547893 174562314 /nfs/dbraw/zinc/56/23/14/174562314.db2.gz HIXCLPLYWZFUAH-LBPRGKRZSA-N 1 2 222.332 2.863 10 0 BFAELO COc1cc([NH2+]CCc2ccccc2)ccc1N ZINC000104234019 175002631 /nfs/dbraw/zinc/00/26/31/175002631.db2.gz OLPQSIHHMARTSO-UHFFFAOYSA-N 1 2 242.322 2.932 10 0 BFAELO COc1ccc(-c2[nH]c3c(cccc3N)[nH+]2)cc1 ZINC000036281920 175040800 /nfs/dbraw/zinc/04/08/00/175040800.db2.gz RMRIRVRVVAXGAE-UHFFFAOYSA-N 1 2 239.278 2.821 10 0 BFAELO COc1ccc2c(c1)C(c1c[nH]c[nH+]1)=CCC2 ZINC000013765322 175206965 /nfs/dbraw/zinc/20/69/65/175206965.db2.gz LODNSVZOBFYPFE-UHFFFAOYSA-N 1 2 226.279 2.796 10 0 BFAELO C[C@@H](O)c1[nH+]c2cc(N)ccc2n1[C@H](C)C1CC1 ZINC000053736365 176001088 /nfs/dbraw/zinc/00/10/88/176001088.db2.gz LPWGQTYJULASCO-RKDXNWHRSA-N 1 2 245.326 2.643 10 0 BFAELO C[C@@H](c1cccs1)N(C)c1ccc(CO)c[nH+]1 ZINC000049728168 176033537 /nfs/dbraw/zinc/03/35/37/176033537.db2.gz CCNHHAJYBCSIPS-JTQLQIEISA-N 1 2 248.351 2.833 10 0 BFAELO C[C@@H]1CCCC[C@@H]1Oc1cc[nH+]cc1N ZINC000020370755 176083058 /nfs/dbraw/zinc/08/30/58/176083058.db2.gz SMUPJAHDHDOTTI-KOLCDFICSA-N 1 2 206.289 2.621 10 0 BFAELO C[C@@H]1CCC[C@H](OCc2ccc(N)[nH+]c2)C1 ZINC000050832440 176146426 /nfs/dbraw/zinc/14/64/26/176146426.db2.gz KFVDIVSKTZRQCQ-PWSUYJOCSA-N 1 2 220.316 2.759 10 0 BFAELO C[C@@H]1OCC[C@H]1Nc1ccc2ccccc2[nH+]1 ZINC000149947517 176482295 /nfs/dbraw/zinc/48/22/95/176482295.db2.gz LFZXAWZRPHDOCJ-CMPLNLGQSA-N 1 2 228.295 2.824 10 0 BFAELO C[C@H]1CCCC[C@H]1Oc1cc[nH+]cc1N ZINC000020370764 177090529 /nfs/dbraw/zinc/09/05/29/177090529.db2.gz SMUPJAHDHDOTTI-GXSJLCMTSA-N 1 2 206.289 2.621 10 0 BFAELO C[C@H]1CCCC[C@H]1OCc1cc[nH+]c(N)c1 ZINC000052754828 177090799 /nfs/dbraw/zinc/09/07/99/177090799.db2.gz YPPUWPAZASMWSM-CMPLNLGQSA-N 1 2 220.316 2.759 10 0 BFAELO C[C@H]1[C@H]([NH2+]CC(F)(F)F)CCC[C@@H]1C ZINC000020055065 177122815 /nfs/dbraw/zinc/12/28/15/177122815.db2.gz HFFPPTSLVYATDO-DJLDLDEBSA-N 1 2 209.255 2.963 10 0 BFAELO CCC[C@H](CNc1c[nH+]ccc1C)OC ZINC000386175867 487833098 /nfs/dbraw/zinc/83/30/98/487833098.db2.gz XGCGSDZDDODCCT-LLVKDONJSA-N 1 2 208.305 2.617 10 0 BFAELO CCn1nc(C)c([C@@H](C)[NH2+]CC(C)(F)F)c1C ZINC000566517344 326061457 /nfs/dbraw/zinc/06/14/57/326061457.db2.gz GQFLJCQLKCAQDR-MRVPVSSYSA-N 1 2 245.317 2.826 10 0 BFAELO Cc1cnc(C[NH2+][C@@H]2CCOc3ccccc32)o1 ZINC000231638945 488217457 /nfs/dbraw/zinc/21/74/57/488217457.db2.gz UZVUHOVYQSOMAY-GFCCVEGCSA-N 1 2 244.294 2.596 10 0 BFAELO C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)C(=O)[C@H]1C ZINC000238855461 525013225 /nfs/dbraw/zinc/01/32/25/525013225.db2.gz RXZUFZQANYQWEB-AGIUHOORSA-N 1 2 231.339 2.732 10 0 BFAELO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)C(=O)[C@H]1C ZINC000238855461 525013238 /nfs/dbraw/zinc/01/32/38/525013238.db2.gz RXZUFZQANYQWEB-AGIUHOORSA-N 1 2 231.339 2.732 10 0 BFAELO CCC[C@H]1C[C@H]1Nc1cc(CC)[nH+]cn1 ZINC000231662675 566313423 /nfs/dbraw/zinc/31/34/23/566313423.db2.gz BRQRUSWXSSMPTN-GXSJLCMTSA-N 1 2 205.305 2.640 10 0 BFAELO CCNc1ccc(-c2c[nH+]cn2C)cc1 ZINC000669380699 566424800 /nfs/dbraw/zinc/42/48/00/566424800.db2.gz TVXDJKIQGPIARS-UHFFFAOYSA-N 1 2 201.273 2.519 10 0 BFAELO c1ccc2c(c1)[nH+]c1n2[C@@H]2CCC[C@H]2CN1 ZINC000232464718 566491231 /nfs/dbraw/zinc/49/12/31/566491231.db2.gz YJRWDNXDRZEBLW-GXSJLCMTSA-N 1 2 213.284 2.803 10 0 BFAELO Clc1ncsc1[C@@H]1[NH2+]CCc2occc21 ZINC000713481617 582478674 /nfs/dbraw/zinc/47/86/74/582478674.db2.gz DOWXDOFLJSFKOM-MRVPVSSYSA-N 1 2 240.715 2.625 10 0 BFAELO CC[C@@H]1CCC[C@]2(CC1)[NH2+]CC(F)(F)CO2 ZINC000757151295 582535612 /nfs/dbraw/zinc/53/56/12/582535612.db2.gz QGVKWVZWGARJPW-PWSUYJOCSA-N 1 2 233.302 2.928 10 0 BFAELO CC(=O)[C@@H]1CCC[N@H+](C/C(Cl)=C\Cl)C1 ZINC000211204931 583841758 /nfs/dbraw/zinc/84/17/58/583841758.db2.gz ZJEDOBJBITVOOT-RAJVOEEQSA-N 1 2 236.142 2.606 10 0 BFAELO CC(=O)[C@@H]1CCC[N@@H+](C/C(Cl)=C\Cl)C1 ZINC000211204931 583841759 /nfs/dbraw/zinc/84/17/59/583841759.db2.gz ZJEDOBJBITVOOT-RAJVOEEQSA-N 1 2 236.142 2.606 10 0 BFAELO CC(C)[C@H]1CCC[C@@]2(C1)[NH2+]CC(F)(F)CO2 ZINC000757152831 586429338 /nfs/dbraw/zinc/42/93/38/586429338.db2.gz UELWAWUJLMUROH-CMPLNLGQSA-N 1 2 233.302 2.784 10 0 BFAELO Cc1cn(-c2ccc(C=O)c(Cl)c2)c[nH+]1 ZINC000218185589 592153611 /nfs/dbraw/zinc/15/36/11/592153611.db2.gz HQHKGYRPYMMZJR-UHFFFAOYSA-N 1 2 220.659 2.647 10 0 BFAELO Clc1ncc(C[N@@H+]2C[C@H]3CCC[C@H]32)s1 ZINC000706736620 712153219 /nfs/dbraw/zinc/15/32/19/712153219.db2.gz VUCZZTJFVCVWBK-VXNVDRBHSA-N 1 2 228.748 2.781 10 0 BFAELO Clc1ncc(C[N@H+]2C[C@H]3CCC[C@H]32)s1 ZINC000706736620 712153222 /nfs/dbraw/zinc/15/32/22/712153222.db2.gz VUCZZTJFVCVWBK-VXNVDRBHSA-N 1 2 228.748 2.781 10 0 BFAELO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2cn(C)cn2)o1 ZINC000710012142 712240690 /nfs/dbraw/zinc/24/06/90/712240690.db2.gz GHMQLSNLBCDSRP-GHMZBOCLSA-N 1 2 233.315 2.733 10 0 BFAELO Cc1ccc([C@H](C)[NH2+]Cc2nccn2C2CC2)o1 ZINC000711733491 712320649 /nfs/dbraw/zinc/32/06/49/712320649.db2.gz SMJIOBJACNTARQ-NSHDSACASA-N 1 2 245.326 2.970 10 0 BFAELO CC(C)[N@@H+]1CCC(=O)C12CCC(F)(F)CC2 ZINC000685953547 538898242 /nfs/dbraw/zinc/89/82/42/538898242.db2.gz IIFDDSSSHKLDQD-UHFFFAOYSA-N 1 2 231.286 2.618 10 0 BFAELO CC(C)[N@H+]1CCC(=O)C12CCC(F)(F)CC2 ZINC000685953547 538898243 /nfs/dbraw/zinc/89/82/43/538898243.db2.gz IIFDDSSSHKLDQD-UHFFFAOYSA-N 1 2 231.286 2.618 10 0 BFAELO Nc1cn(Cc2c(Cl)cccc2Cl)c[nH+]1 ZINC000685964246 538911002 /nfs/dbraw/zinc/91/10/02/538911002.db2.gz WMQISSLNJQLBOO-UHFFFAOYSA-N 1 2 242.109 2.820 10 0 BFAELO CN1CC[C@@H](c2cccc(N)[nH+]2)c2ccccc21 ZINC000616588275 349497522 /nfs/dbraw/zinc/49/75/22/349497522.db2.gz UXCQNDKKYDVUPT-LLVKDONJSA-N 1 2 239.322 2.636 10 0 BFAELO Cc1cc(N(C)C)ccc1[NH2+]CC1CCOCC1 ZINC000052176179 178094819 /nfs/dbraw/zinc/09/48/19/178094819.db2.gz AGBFZBCKOBGFCU-UHFFFAOYSA-N 1 2 248.370 2.900 10 0 BFAELO Cc1cc([NH+](C)C)ccc1NCC1CCOCC1 ZINC000052176179 178094821 /nfs/dbraw/zinc/09/48/21/178094821.db2.gz AGBFZBCKOBGFCU-UHFFFAOYSA-N 1 2 248.370 2.900 10 0 BFAELO Cc1cc(N)ccc1[NH2+]CCc1ccco1 ZINC000042587083 178106601 /nfs/dbraw/zinc/10/66/01/178106601.db2.gz SWUWVADXXPQUHX-UHFFFAOYSA-N 1 2 216.284 2.825 10 0 BFAELO Cc1cc([NH3+])ccc1NCc1ccc(O)cc1 ZINC000039111113 178106807 /nfs/dbraw/zinc/10/68/07/178106807.db2.gz XUQWQILYLNIJTQ-UHFFFAOYSA-N 1 2 228.295 2.895 10 0 BFAELO Cc1cc([NH3+])ccc1NCc1cccnc1 ZINC000036950145 178107479 /nfs/dbraw/zinc/10/74/79/178107479.db2.gz HPWIPUSIWOHXAT-UHFFFAOYSA-N 1 2 213.284 2.584 10 0 BFAELO Cc1cc(NC(=O)N[C@@H](C)C(C)C)cc[nH+]1 ZINC000119858107 178140456 /nfs/dbraw/zinc/14/04/56/178140456.db2.gz OGNVVIFJSIOSNU-JTQLQIEISA-N 1 2 221.304 2.556 10 0 BFAELO Cc1cc(NC[C@H](C)Nc2ccccc2)nc[nH+]1 ZINC000301587759 178168263 /nfs/dbraw/zinc/16/82/63/178168263.db2.gz WMHWLLKCNDHADN-LBPRGKRZSA-N 1 2 242.326 2.698 10 0 BFAELO Cc1cc([NH2+][C@@H](C)[C@@H]2CCCO2)ccc1N ZINC000035734588 178178649 /nfs/dbraw/zinc/17/86/49/178178649.db2.gz HIGLIDGLMHCJJM-GWCFXTLKSA-N 1 2 220.316 2.557 10 0 BFAELO Cc1cc2ccccc2n1Cc1[nH+]ccn1C ZINC000104287249 178299022 /nfs/dbraw/zinc/29/90/22/178299022.db2.gz JEDZNLOFPAYFLO-UHFFFAOYSA-N 1 2 225.295 2.732 10 0 BFAELO CC[C@]1(c2c[nH]c[nH+]2)Cc2ccc(F)cc2C1 ZINC000005424460 342763937 /nfs/dbraw/zinc/76/39/37/342763937.db2.gz KXSUAWAUCNFBQJ-AWEZNQCLSA-N 1 2 230.286 2.995 10 0 investigational BFAELO CC[C@]1(c2c[nH+]c[nH]2)Cc2ccc(F)cc2C1 ZINC000005424460 342763938 /nfs/dbraw/zinc/76/39/38/342763938.db2.gz KXSUAWAUCNFBQJ-AWEZNQCLSA-N 1 2 230.286 2.995 10 0 investigational BFAELO CCc1cc(N[C@@H](CC)C(C)C)nc[nH+]1 ZINC000042590783 342778332 /nfs/dbraw/zinc/77/83/32/342778332.db2.gz MCZMXGLEYMMTBO-NSHDSACASA-N 1 2 207.321 2.886 10 0 BFAELO CC(C)(C)O[NH2+][C@H]1CSCCC1(C)C ZINC000134475980 342857522 /nfs/dbraw/zinc/85/75/22/342857522.db2.gz MSFVRIRXEYQVDZ-VIFPVBQESA-N 1 2 217.378 2.838 10 0 BFAELO CC[C@H](C)CNc1cc(N)cc(Cl)[nH+]1 ZINC000233973572 342916568 /nfs/dbraw/zinc/91/65/68/342916568.db2.gz YSQXHCPMHKZBKM-ZETCQYMHSA-N 1 2 213.712 2.775 10 0 BFAELO Cc1ccc(NC(=O)N2C[C@@H]3CCC[C@H]32)c(C)[nH+]1 ZINC000336310698 398329827 /nfs/dbraw/zinc/32/98/27/398329827.db2.gz MPSPXEALQJHDJM-WCQYABFASA-N 1 2 245.326 2.715 10 0 BFAELO O=C1N[C@H](C2CCCCC2)[N@@H+]2CCCC[C@H]12 ZINC000071967416 342952479 /nfs/dbraw/zinc/95/24/79/342952479.db2.gz YBMOVEVGQKOYQD-NEPJUHHUSA-N 1 2 222.332 2.717 10 0 BFAELO O=C1N[C@H](C2CCCCC2)[N@H+]2CCCC[C@H]12 ZINC000071967416 342952480 /nfs/dbraw/zinc/95/24/80/342952480.db2.gz YBMOVEVGQKOYQD-NEPJUHHUSA-N 1 2 222.332 2.717 10 0 BFAELO c1ccc2[nH+]c(N3C[C@@H]4CC=CC[C@H]4C3)[nH]c2c1 ZINC000301893707 187207236 /nfs/dbraw/zinc/20/72/36/187207236.db2.gz SMBXRPHWZHZAMV-RYUDHWBXSA-N 1 2 239.322 2.965 10 0 BFAELO O=C(CCCn1cc[nH+]c1)c1ccc(F)cc1 ZINC000020457412 342985708 /nfs/dbraw/zinc/98/57/08/342985708.db2.gz HRJPLOHUQRTELO-UHFFFAOYSA-N 1 2 232.258 2.685 10 0 BFAELO Cn1c2c([nH+]c1-c1ccccc1)CCCC2 ZINC000022000605 343032899 /nfs/dbraw/zinc/03/28/99/343032899.db2.gz NXLMQBQPYJXVBU-UHFFFAOYSA-N 1 2 212.296 2.966 10 0 BFAELO Nc1c[nH+]c2c(Cl)c(Cl)ccc2c1N ZINC000584882875 343085404 /nfs/dbraw/zinc/08/54/04/343085404.db2.gz YDGRMLGWRMYKOS-UHFFFAOYSA-N 1 2 228.082 2.706 10 0 BFAELO CCNc1c(N)c[nH+]c2c(OCC)cccc12 ZINC000584882863 343085679 /nfs/dbraw/zinc/08/56/79/343085679.db2.gz XEJXIZMOUZSMJQ-UHFFFAOYSA-N 1 2 231.299 2.648 10 0 BFAELO c1ccc(N[C@@H]2COc3ccccc32)[nH+]c1 ZINC000058545172 136271880 /nfs/dbraw/zinc/27/18/80/136271880.db2.gz DFFHTMRMQBUCMH-LLVKDONJSA-N 1 2 212.252 2.627 10 0 BFAELO COC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(C)cc1C ZINC000037074017 343332760 /nfs/dbraw/zinc/33/27/60/343332760.db2.gz BIDPCRXZAXEWRT-NEPJUHHUSA-N 1 2 235.327 2.516 10 0 BFAELO COC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(C)cc1C ZINC000042304332 343434518 /nfs/dbraw/zinc/43/45/18/343434518.db2.gz BIDPCRXZAXEWRT-NWDGAFQWSA-N 1 2 235.327 2.516 10 0 BFAELO C[N@H+](Cc1ccc(Cl)s1)[C@@H]1CCCC1=O ZINC000050144007 343609971 /nfs/dbraw/zinc/60/99/71/343609971.db2.gz JYGIJJNSZLODBV-SECBINFHSA-N 1 2 243.759 2.955 10 0 BFAELO C[N@@H+](Cc1ccc(Cl)s1)[C@@H]1CCCC1=O ZINC000050144007 343609973 /nfs/dbraw/zinc/60/99/73/343609973.db2.gz JYGIJJNSZLODBV-SECBINFHSA-N 1 2 243.759 2.955 10 0 BFAELO CCc1[nH]nc(C(C)C)c1CCC(=[NH2+])OC ZINC000409437910 343849267 /nfs/dbraw/zinc/84/92/67/343849267.db2.gz AYRDTIFVSGAOBW-UHFFFAOYSA-N 1 2 223.320 2.652 10 0 BFAELO CCc1n[nH]c(C(C)C)c1CCC(=[NH2+])OC ZINC000409437910 343849269 /nfs/dbraw/zinc/84/92/69/343849269.db2.gz AYRDTIFVSGAOBW-UHFFFAOYSA-N 1 2 223.320 2.652 10 0 BFAELO Nc1cc(CCC2CCCC2)[nH+]c(C2CC2)n1 ZINC000575622383 343869980 /nfs/dbraw/zinc/86/99/80/343869980.db2.gz UXFYHLLKFYZBPL-UHFFFAOYSA-N 1 2 231.343 2.889 10 0 BFAELO 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/nfs/dbraw/zinc/34/02/79/132340279.db2.gz ASKAXCODBNRZQG-LLVKDONJSA-N 1 2 248.395 2.947 10 0 BFAELO Cc1cnc(C[N@@H+]2CCC[C@H]2c2ccco2)o1 ZINC000173653244 134276177 /nfs/dbraw/zinc/27/61/77/134276177.db2.gz MNNVPHSBGUDPMT-NSHDSACASA-N 1 2 232.283 2.913 10 0 BFAELO Cc1cnc(C[N@H+]2CCC[C@H]2c2ccco2)o1 ZINC000173653244 134276178 /nfs/dbraw/zinc/27/61/78/134276178.db2.gz MNNVPHSBGUDPMT-NSHDSACASA-N 1 2 232.283 2.913 10 0 BFAELO Cc1cnc([C@@H](C)[NH2+]Cc2cccc(F)c2)o1 ZINC000220905326 134315150 /nfs/dbraw/zinc/31/51/50/134315150.db2.gz OKRNDDHHAQNVJL-SNVBAGLBSA-N 1 2 234.274 2.973 10 0 BFAELO COCC(C)(C)C[N@@H+]1CCCc2c(N)cccc21 ZINC000261758270 135251093 /nfs/dbraw/zinc/25/10/93/135251093.db2.gz LCMGJDTWZVNMMX-UHFFFAOYSA-N 1 2 248.370 2.694 10 0 BFAELO COCC(C)(C)C[N@H+]1CCCc2c(N)cccc21 ZINC000261758270 135251095 /nfs/dbraw/zinc/25/10/95/135251095.db2.gz LCMGJDTWZVNMMX-UHFFFAOYSA-N 1 2 248.370 2.694 10 0 BFAELO Cc1ccc([C@H](C)[NH2+]Cc2ncc(C)cn2)o1 ZINC000348261885 136057979 /nfs/dbraw/zinc/05/79/79/136057979.db2.gz NEKATCATKYFKNS-NSHDSACASA-N 1 2 231.299 2.537 10 0 BFAELO Cc1cnc([C@@H](C)NCc2[nH+]ccn2C(C)C)o1 ZINC000348355377 136072163 /nfs/dbraw/zinc/07/21/63/136072163.db2.gz CKYYMPAVYBAXLZ-LLVKDONJSA-N 1 2 248.330 2.611 10 0 BFAELO COc1ccc[nH+]c1N[C@@H](C)c1ncc(C)o1 ZINC000231747194 397935539 /nfs/dbraw/zinc/93/55/39/397935539.db2.gz QRCPAFUFQOIOMV-VIFPVBQESA-N 1 2 233.271 2.560 10 0 BFAELO CCc1noc(C[NH2+][C@H](C)c2cccc(C)c2)n1 ZINC000650334678 398117195 /nfs/dbraw/zinc/11/71/95/398117195.db2.gz NDVGBBMAAVZGOK-LLVKDONJSA-N 1 2 245.326 2.791 10 0 BFAELO CC(C)Nc1nc[nH+]c(Nc2ccccc2)c1N ZINC000040708161 167151585 /nfs/dbraw/zinc/15/15/85/167151585.db2.gz FDJQVGUIMANJLM-UHFFFAOYSA-N 1 2 243.314 2.623 10 0 BFAELO CC(C)Nc1[nH+]cnc(Nc2ccccc2)c1N ZINC000040708161 167151589 /nfs/dbraw/zinc/15/15/89/167151589.db2.gz FDJQVGUIMANJLM-UHFFFAOYSA-N 1 2 243.314 2.623 10 0 BFAELO CC(C)c1cc(C[NH3+])ccc1OC1CC1 ZINC000095737984 167569160 /nfs/dbraw/zinc/56/91/60/167569160.db2.gz GXEHQSHJQIKQQZ-UHFFFAOYSA-N 1 2 205.301 2.810 10 0 BFAELO Cc1cc[nH+]cc1N[C@H](C)[C@H]1CCCCO1 ZINC000653465961 411284426 /nfs/dbraw/zinc/28/44/26/411284426.db2.gz TUFYNZLHXKDKOU-DGCLKSJQSA-N 1 2 220.316 2.760 10 0 BFAELO Cc1cc[nH+]cc1N[C@H](C)[C@@H]1CCCCO1 ZINC000653465963 411284902 /nfs/dbraw/zinc/28/49/02/411284902.db2.gz TUFYNZLHXKDKOU-YPMHNXCESA-N 1 2 220.316 2.760 10 0 BFAELO Cc1ccc([C@H](C)NCc2[nH]c(C)c(C)[nH+]2)o1 ZINC000657293079 411452830 /nfs/dbraw/zinc/45/28/30/411452830.db2.gz WLIYQWDSOGBWIM-NSHDSACASA-N 1 2 233.315 2.779 10 0 BFAELO Cc1ccc([C@H](C)[NH2+]Cc2nc(C)c(C)[nH]2)o1 ZINC000657293079 411452834 /nfs/dbraw/zinc/45/28/34/411452834.db2.gz WLIYQWDSOGBWIM-NSHDSACASA-N 1 2 233.315 2.779 10 0 BFAELO CC[C@@H]1C[C@H](Nc2c[nH+]ccc2C)CCO1 ZINC000069891308 411507721 /nfs/dbraw/zinc/50/77/21/411507721.db2.gz MMTCCHLPAFUXCR-VXGBXAGGSA-N 1 2 220.316 2.760 10 0 BFAELO CCOC(=O)C[NH2+][C@@H]1CCCCc2ccccc21 ZINC000037563513 170226118 /nfs/dbraw/zinc/22/61/18/170226118.db2.gz WDNHPHCSEBMYPV-CQSZACIVSA-N 1 2 247.338 2.607 10 0 BFAELO CCOC(=O)[C@@H]([NH3+])c1c(Cl)cccc1Cl ZINC000037459939 170254154 /nfs/dbraw/zinc/25/41/54/170254154.db2.gz WOOIHMLXFGXRCC-VIFPVBQESA-N 1 2 248.109 2.556 10 0 BFAELO CCOC(=O)[C@@H]([NH2+]CC1CC1)c1ccc(C)cc1 ZINC000037968233 170255233 /nfs/dbraw/zinc/25/52/33/170255233.db2.gz MMSLHJJMVCQATN-AWEZNQCLSA-N 1 2 247.338 2.599 10 0 BFAELO CCOC(=O)[C@@](C)([NH2+][C@H](C)CC)c1ccccc1 ZINC000038067738 170261139 /nfs/dbraw/zinc/26/11/39/170261139.db2.gz PZFLQGVHJYBEOE-DOMZBBRYSA-N 1 2 249.354 2.853 10 0 BFAELO CCOC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(C)cc1C ZINC000049368227 170268095 /nfs/dbraw/zinc/26/80/95/170268095.db2.gz ZYNZWAVXELMVDQ-OLZOCXBDSA-N 1 2 249.354 2.906 10 0 BFAELO CCOC(=O)[C@H](C)[NH2+][C@@H](C)c1ccccc1C ZINC000049368211 170268810 /nfs/dbraw/zinc/26/88/10/170268810.db2.gz XSRYHKYHVXJXTA-RYUDHWBXSA-N 1 2 235.327 2.597 10 0 BFAELO CCOC(=O)[C@H]([NH2+]CC1CC1)c1ccc(C)cc1 ZINC000037968232 170277078 /nfs/dbraw/zinc/27/70/78/170277078.db2.gz MMSLHJJMVCQATN-CQSZACIVSA-N 1 2 247.338 2.599 10 0 BFAELO CCOC(=O)[C@](C)([NH2+][C@H](C)CC)c1ccccc1 ZINC000038067740 170283808 /nfs/dbraw/zinc/28/38/08/170283808.db2.gz PZFLQGVHJYBEOE-IUODEOHRSA-N 1 2 249.354 2.853 10 0 BFAELO CC[C@@]1(c2c[nH]c[nH+]2)Cc2ccc(F)cc2C1 ZINC000003612873 171215574 /nfs/dbraw/zinc/21/55/74/171215574.db2.gz KXSUAWAUCNFBQJ-CQSZACIVSA-N 1 2 230.286 2.995 10 0 investigational BFAELO CC[C@@]1(c2c[nH+]c[nH]2)Cc2ccc(F)cc2C1 ZINC000003612873 171215575 /nfs/dbraw/zinc/21/55/75/171215575.db2.gz KXSUAWAUCNFBQJ-CQSZACIVSA-N 1 2 230.286 2.995 10 0 investigational BFAELO CC[C@H](C)[NH2+][C@H](C(=O)OC)c1ccc(C)c(C)c1 ZINC000038067317 171347092 /nfs/dbraw/zinc/34/70/92/171347092.db2.gz VDKFGJLQFLYTSZ-JSGCOSHPSA-N 1 2 249.354 2.906 10 0 BFAELO CC[C@H](C)[NH2+][C@@](CC)(C(=O)OC)c1ccccc1 ZINC000038067075 171347411 /nfs/dbraw/zinc/34/74/11/171347411.db2.gz DTFIWQWGNBXBLB-SWLSCSKDSA-N 1 2 249.354 2.853 10 0 BFAELO CC[C@H](C)[NH2+]c1ccc(N(CC)CCO)cc1 ZINC000037784680 171349603 /nfs/dbraw/zinc/34/96/03/171349603.db2.gz NUHBYIYZNVVPLH-LBPRGKRZSA-N 1 2 236.359 2.716 10 0 BFAELO CCc1[nH+]c2ccc(Cl)cc2n1CCCO ZINC000040402295 172012671 /nfs/dbraw/zinc/01/26/71/172012671.db2.gz YVJGQHBJLMNPQC-UHFFFAOYSA-N 1 2 238.718 2.635 10 0 BFAELO CCc1[nH+]c2ccccc2n1CCCC(N)=S ZINC000062807694 172013319 /nfs/dbraw/zinc/01/33/19/172013319.db2.gz KBJXWYKFPFRYFX-UHFFFAOYSA-N 1 2 247.367 2.665 10 0 BFAELO COCCCNc1ccc([NH+]2CCCC2)cc1 ZINC000062996133 174252053 /nfs/dbraw/zinc/25/20/53/174252053.db2.gz DWZUAINLPSNRGW-UHFFFAOYSA-N 1 2 234.343 2.735 10 0 BFAELO COCCC[NH2+]c1ccc(N2CCCC2)cc1 ZINC000062996133 174252054 /nfs/dbraw/zinc/25/20/54/174252054.db2.gz DWZUAINLPSNRGW-UHFFFAOYSA-N 1 2 234.343 2.735 10 0 BFAELO COc1ccc(NC2=[NH+]C[C@@H](C3CC3)S2)cc1 ZINC000071306636 175149414 /nfs/dbraw/zinc/14/94/14/175149414.db2.gz OAQBDTTWHINNSG-LBPRGKRZSA-N 1 2 248.351 2.989 10 0 BFAELO COc1ccc([NH2+]C2CCC(O)CC2)c(C)c1 ZINC000234970810 175149663 /nfs/dbraw/zinc/14/96/63/175149663.db2.gz QQLAZORCXNWSBR-UHFFFAOYSA-N 1 2 235.327 2.719 10 0 BFAELO COc1ccc2c(c1)C[C@@H](C(C)C)C[NH2+]2 ZINC000011633310 175210600 /nfs/dbraw/zinc/21/06/00/175210600.db2.gz JUPSTCXLRFVYBY-LLVKDONJSA-N 1 2 205.301 2.935 10 0 BFAELO COc1ccc2[nH+]c(C)ccc2c1OC ZINC000039119769 175227504 /nfs/dbraw/zinc/22/75/04/175227504.db2.gz JJVZUIMQVQMYSM-UHFFFAOYSA-N 1 2 203.241 2.560 10 0 BFAELO COc1c[nH+]c(C(C)C)cc1OC1CC1 ZINC000095728415 175381164 /nfs/dbraw/zinc/38/11/64/175381164.db2.gz YWSLDMDYTASEKN-UHFFFAOYSA-N 1 2 207.273 2.755 10 0 BFAELO COc1c[nH+]c(C(C)(C)C)cc1OC1CC1 ZINC000095728192 175381305 /nfs/dbraw/zinc/38/13/05/175381305.db2.gz QMPJTHXFPJNVBN-UHFFFAOYSA-N 1 2 221.300 2.929 10 0 BFAELO C[C@@H](Oc1cc[nH+]cc1N)c1ccccc1 ZINC000020370803 176006529 /nfs/dbraw/zinc/00/65/29/176006529.db2.gz BHKODFOWFJSJIM-SNVBAGLBSA-N 1 2 214.268 2.804 10 0 BFAELO C[C@@H]1[C@H](C)C(=O)C[N@@H+](Cc2ccccc2)[C@H]1C ZINC000169616767 176043223 /nfs/dbraw/zinc/04/32/23/176043223.db2.gz DVDWJFDLDUYNRK-AGIUHOORSA-N 1 2 231.339 2.732 10 0 BFAELO C[C@@H]1[C@H](C)C(=O)C[N@H+](Cc2ccccc2)[C@H]1C ZINC000169616767 176043224 /nfs/dbraw/zinc/04/32/24/176043224.db2.gz DVDWJFDLDUYNRK-AGIUHOORSA-N 1 2 231.339 2.732 10 0 BFAELO C[C@@H]1CCCN1c1ccc2cc(N)ccc2[nH+]1 ZINC000037910155 176111936 /nfs/dbraw/zinc/11/19/36/176111936.db2.gz RHYDFSGKSIBMTB-SNVBAGLBSA-N 1 2 227.311 2.806 10 0 BFAELO C[C@@H]1CCC[C@@H](c2nc(N)c3c([nH+]2)CCC3)C1 ZINC000050844746 176125792 /nfs/dbraw/zinc/12/57/92/176125792.db2.gz PFYUDOIPQGTLKM-NXEZZACHSA-N 1 2 231.343 2.841 10 0 BFAELO C[C@@H]1C[C@@H](C)C[NH+]([C@@H](C[NH3+])c2ccsc2)C1 ZINC000022217576 176362061 /nfs/dbraw/zinc/36/20/61/176362061.db2.gz LMLUQUPBINJHET-WZRBSPASSA-N 1 2 238.400 2.726 10 0 BFAELO C[C@H](c1cccs1)N(C)c1cc(CO)cc[nH+]1 ZINC000049728149 177049373 /nfs/dbraw/zinc/04/93/73/177049373.db2.gz UOMMKMSWLIZFMX-SNVBAGLBSA-N 1 2 248.351 2.833 10 0 BFAELO C[C@H]1CCC(=O)[C@H](C)[N@@H+]1Cc1ccccc1 ZINC000068593085 177068851 /nfs/dbraw/zinc/06/88/51/177068851.db2.gz JUVFBCNKSXUBOK-RYUDHWBXSA-N 1 2 217.312 2.629 10 0 BFAELO C[C@H]1CCC(=O)[C@H](C)[N@H+]1Cc1ccccc1 ZINC000068593085 177068852 /nfs/dbraw/zinc/06/88/52/177068852.db2.gz JUVFBCNKSXUBOK-RYUDHWBXSA-N 1 2 217.312 2.629 10 0 BFAELO C[C@@H]1[C@@H](C)CCC[C@@H]1[NH2+]CC(F)(F)F ZINC000020055069 177136831 /nfs/dbraw/zinc/13/68/31/177136831.db2.gz HFFPPTSLVYATDO-YIZRAAEISA-N 1 2 209.255 2.963 10 0 BFAELO C[C@@H]1COC[C@H](C)[N@H+]1Cc1ccc(F)c(F)c1 ZINC000077368427 177299176 /nfs/dbraw/zinc/29/91/76/177299176.db2.gz ZISXVWCYPSOJCN-AOOOYVTPSA-N 1 2 241.281 2.574 10 0 BFAELO C[C@@H]1COC[C@H](C)[N@@H+]1Cc1ccc(F)c(F)c1 ZINC000077368427 177299177 /nfs/dbraw/zinc/29/91/77/177299177.db2.gz ZISXVWCYPSOJCN-AOOOYVTPSA-N 1 2 241.281 2.574 10 0 BFAELO CCC[C@@H](CNc1c[nH+]ccc1C)OC ZINC000386175874 487833271 /nfs/dbraw/zinc/83/32/71/487833271.db2.gz XGCGSDZDDODCCT-NSHDSACASA-N 1 2 208.305 2.617 10 0 BFAELO CCc1cc(NCC2C[C@@H](C)O[C@H](C)C2)nc[nH+]1 ZINC000684897921 488351032 /nfs/dbraw/zinc/35/10/32/488351032.db2.gz VGZOAEJFLCXPJY-GHMZBOCLSA-N 1 2 249.358 2.655 10 0 BFAELO CCc1cnc(C[NH2+][C@@H](C)c2ccc(C)o2)o1 ZINC000230630342 491130492 /nfs/dbraw/zinc/13/04/92/491130492.db2.gz RWPNWQNXRNUBIK-JTQLQIEISA-N 1 2 234.299 2.989 10 0 BFAELO CC[C@H](C)c1noc(C[NH2+]Cc2ccccc2)n1 ZINC000057340718 522067032 /nfs/dbraw/zinc/06/70/32/522067032.db2.gz ZNZQPOJYOXDYPQ-NSHDSACASA-N 1 2 245.326 2.873 10 0 BFAELO Cc1cc2[nH+]c(-c3ccnn3C)cc(N)c2s1 ZINC000725257570 538065458 /nfs/dbraw/zinc/06/54/58/538065458.db2.gz RKCIHYBACNEFRV-UHFFFAOYSA-N 1 2 244.323 2.587 10 0 BFAELO CN1CCc2cc([NH2+]C[C@H]3CCCS3)ccc21 ZINC000757123942 582498626 /nfs/dbraw/zinc/49/86/26/582498626.db2.gz AZWHDWHKBSZJIG-CYBMUJFWSA-N 1 2 248.395 2.986 10 0 BFAELO C[C@H]([NH2+]c1ccc2c(c1)CCN2C)C1CC1 ZINC000757131204 582505859 /nfs/dbraw/zinc/50/58/59/582505859.db2.gz PUTAEGFUFINXMM-JTQLQIEISA-N 1 2 216.328 2.889 10 0 BFAELO CC1(C)CCC[C@]2(CC1)[NH2+]CC(F)(F)CO2 ZINC000757145418 582528188 /nfs/dbraw/zinc/52/81/88/582528188.db2.gz IJLAEPHHHWZADB-LBPRGKRZSA-N 1 2 233.302 2.928 10 0 BFAELO CC[C@@H]1CCC[C@@]2(CC1)[NH2+]CC(F)(F)CO2 ZINC000757151301 582535765 /nfs/dbraw/zinc/53/57/65/582535765.db2.gz QGVKWVZWGARJPW-ZYHUDNBSSA-N 1 2 233.302 2.928 10 0 BFAELO Nc1ccc([NH2+]C2CCC2)c(Br)c1 ZINC000052207376 398191775 /nfs/dbraw/zinc/19/17/75/398191775.db2.gz NZMSSRUHDYVEAF-UHFFFAOYSA-N 1 2 241.132 2.996 10 0 BFAELO Cc1cc([NH+](C)C)ccc1N[C@@H](C)c1cc[nH]n1 ZINC000037907269 178095543 /nfs/dbraw/zinc/09/55/43/178095543.db2.gz XXJIKSPKCPRXJU-NSHDSACASA-N 1 2 244.342 2.957 10 0 BFAELO Cc1cc([NH3+])ccc1N(CCO)C1CCCCC1 ZINC000042501621 178105236 /nfs/dbraw/zinc/10/52/36/178105236.db2.gz CPORREAPTSIHHI-UHFFFAOYSA-N 1 2 248.370 2.709 10 0 BFAELO Cc1cc([NH3+])ccc1N(C)Cc1cccnc1 ZINC000036771235 178105991 /nfs/dbraw/zinc/10/59/91/178105991.db2.gz HSBMHISLVSVGPO-UHFFFAOYSA-N 1 2 227.311 2.609 10 0 BFAELO Cc1cc([NH3+])ccc1N[C@@H](C)[C@@H]1CCCO1 ZINC000035734624 178106464 /nfs/dbraw/zinc/10/64/64/178106464.db2.gz XEIHIMBNOKBBEW-GWCFXTLKSA-N 1 2 220.316 2.557 10 0 BFAELO Cc1cc(N)ccc1SCc1[nH+]ccn1C ZINC000037193771 178106878 /nfs/dbraw/zinc/10/68/78/178106878.db2.gz DZNPAJHSSMSUGY-UHFFFAOYSA-N 1 2 233.340 2.603 10 0 BFAELO Cc1cc(N2CC[C@H]3CCCC[C@@H]32)nc[nH+]1 ZINC000301250554 178118886 /nfs/dbraw/zinc/11/88/86/178118886.db2.gz RPUWUZZLIPPJPV-NEPJUHHUSA-N 1 2 217.316 2.554 10 0 BFAELO Cc1cc(NC(=O)N[C@@H](C)CC2CC2)cc[nH+]1 ZINC000119379533 178140927 /nfs/dbraw/zinc/14/09/27/178140927.db2.gz KSNHZZIHBKLURA-JTQLQIEISA-N 1 2 233.315 2.700 10 0 BFAELO Cc1cc(NCc2ccon2)nc(C(C)C)[nH+]1 ZINC000093297743 178174853 /nfs/dbraw/zinc/17/48/53/178174853.db2.gz ALIDDLMOANVIOH-UHFFFAOYSA-N 1 2 232.287 2.509 10 0 BFAELO Cc1cc([NH2+][C@@H](C)[C@H]2CCCO2)ccc1N ZINC000035734590 178178601 /nfs/dbraw/zinc/17/86/01/178178601.db2.gz HIGLIDGLMHCJJM-GXFFZTMASA-N 1 2 220.316 2.557 10 0 BFAELO Cc1cc(N[C@@H]2CCOc3ccccc32)nc[nH+]1 ZINC000051986995 178181967 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/nfs/dbraw/zinc/85/94/00/342859400.db2.gz ZSTQZWJSQOPDPJ-ZCFIWIBFSA-N 1 2 245.760 2.610 10 0 BFAELO O=C(CCc1ccc(Cl)cc1)Cn1cc[nH+]c1 ZINC000036177219 342892916 /nfs/dbraw/zinc/89/29/16/342892916.db2.gz JEOWNNXFRYOUCQ-UHFFFAOYSA-N 1 2 248.713 2.738 10 0 BFAELO Cc1c(F)cc(Cl)c2[nH+]cc(N)c(N)c12 ZINC000584882165 343084354 /nfs/dbraw/zinc/08/43/54/343084354.db2.gz QVGSTFNTBOTMNP-UHFFFAOYSA-N 1 2 225.654 2.500 10 0 BFAELO Nc1c[nH+]c2c(Cl)ccc(Cl)c2c1N ZINC000584882752 343085447 /nfs/dbraw/zinc/08/54/47/343085447.db2.gz PCSVBIWIJCNDGK-UHFFFAOYSA-N 1 2 228.082 2.536 10 0 BFAELO CC(=O)c1ccc(C2=C[NH+]3CCC2CC3)o1 ZINC000013766603 343104071 /nfs/dbraw/zinc/10/40/71/343104071.db2.gz LSYQABJIACQBKK-UHFFFAOYSA-N 1 2 217.268 2.549 10 0 BFAELO Nc1cc(-c2ccccn2)[nH+]c2ccccc12 ZINC000026441987 343105206 /nfs/dbraw/zinc/10/52/06/343105206.db2.gz XDZHSMGSENLRPL-UHFFFAOYSA-N 1 2 221.263 2.879 10 0 BFAELO CC[NH+](CC)COc1nsc2ccccc21 ZINC000038647050 343378003 /nfs/dbraw/zinc/37/80/03/343378003.db2.gz GZCHAXSDZLOSHJ-UHFFFAOYSA-N 1 2 236.340 2.974 10 0 BFAELO CC(C)Cc1ccc([C@H](O)Cn2cc[nH+]c2)cc1 ZINC000041290983 187265246 /nfs/dbraw/zinc/26/52/46/187265246.db2.gz GSRNPELHTWUMMX-OAHLLOKOSA-N 1 2 244.338 2.815 10 0 BFAELO CCNc1[nH+]cnc(NCc2ccccc2)c1C ZINC000128356418 346950239 /nfs/dbraw/zinc/95/02/39/346950239.db2.gz BXPPLEVTCOYBED-UHFFFAOYSA-N 1 2 242.326 2.829 10 0 BFAELO CCNc1nc[nH+]c(NCc2ccccc2)c1C ZINC000128356418 346950240 /nfs/dbraw/zinc/95/02/40/346950240.db2.gz BXPPLEVTCOYBED-UHFFFAOYSA-N 1 2 242.326 2.829 10 0 BFAELO COC(=[NH2+])Cn1nc(-c2ccsc2)cc1C ZINC000409442128 343857302 /nfs/dbraw/zinc/85/73/02/343857302.db2.gz WVADVTKOQHZCAJ-UHFFFAOYSA-N 1 2 235.312 2.544 10 0 BFAELO c1cn2[nH]c(C3CC3)c(-c3cccnc3)c2[nH+]1 ZINC000409440013 343853897 /nfs/dbraw/zinc/85/38/97/343853897.db2.gz VBASNNGHKFIDRD-UHFFFAOYSA-N 1 2 224.267 2.602 10 0 BFAELO COC(=[NH2+])CCc1c(C)[nH]nc1-c1ccco1 ZINC000409441717 343860401 /nfs/dbraw/zinc/86/04/01/343860401.db2.gz SUHBUUKZBUEVLG-UHFFFAOYSA-N 1 2 233.271 2.534 10 0 BFAELO CCc1[nH]nc(CC(C)C)c1CCC(=[NH2+])OC ZINC000409441896 343861772 /nfs/dbraw/zinc/86/17/72/343861772.db2.gz UMKMXQYNUVEFBT-UHFFFAOYSA-N 1 2 237.347 2.727 10 0 BFAELO CCc1n[nH]c(CC(C)C)c1CCC(=[NH2+])OC ZINC000409441896 343861775 /nfs/dbraw/zinc/86/17/75/343861775.db2.gz UMKMXQYNUVEFBT-UHFFFAOYSA-N 1 2 237.347 2.727 10 0 BFAELO Fc1ccc([C@H]2[NH2+]CCCC2(F)F)cc1 ZINC000220218687 344108893 /nfs/dbraw/zinc/10/88/93/344108893.db2.gz OJJNMBWVCJVOID-SNVBAGLBSA-N 1 2 215.218 2.886 10 0 BFAELO CC1=C[NH+]=C[C@@H](OC(C)(C)C)[C@@H]1OC1CC1 ZINC000095727260 187287887 /nfs/dbraw/zinc/28/78/87/187287887.db2.gz WHYMWWPQNVULTK-VXGBXAGGSA-N 1 2 223.316 2.706 10 0 BFAELO CC(C)c1cn2cc(Cl)c(C#N)cc2[nH+]1 ZINC000221705832 344380034 /nfs/dbraw/zinc/38/00/34/344380034.db2.gz XNOUMKJZOPPRRR-UHFFFAOYSA-N 1 2 219.675 2.983 10 0 BFAELO Cc1cc2[nH+]ccn2c(C)c1Br ZINC000143897000 344622284 /nfs/dbraw/zinc/62/22/84/344622284.db2.gz RMHDABFXQXYPBG-UHFFFAOYSA-N 1 2 225.089 2.714 10 0 BFAELO CO[C@H]1CCC[C@H](Nc2c[nH+]ccc2C)C1 ZINC000234837761 537879670 /nfs/dbraw/zinc/87/96/70/537879670.db2.gz IGFSSKPNIPGBAT-RYUDHWBXSA-N 1 2 220.316 2.760 10 0 BFAELO [NH3+][C@H](c1ccsc1)C(F)(F)C(F)(F)F ZINC000238631495 345096678 /nfs/dbraw/zinc/09/66/78/345096678.db2.gz IBNOINHWBIUDIJ-RXMQYKEDSA-N 1 2 231.189 2.946 10 0 BFAELO c1coc([C@@H]2CCC[N@H+]2Cc2ccon2)c1 ZINC000158410518 345330875 /nfs/dbraw/zinc/33/08/75/345330875.db2.gz IXXKTOJCFXRXEX-NSHDSACASA-N 1 2 218.256 2.605 10 0 BFAELO c1coc([C@@H]2CCC[N@@H+]2Cc2ccon2)c1 ZINC000158410518 345330876 /nfs/dbraw/zinc/33/08/76/345330876.db2.gz IXXKTOJCFXRXEX-NSHDSACASA-N 1 2 218.256 2.605 10 0 BFAELO OC[C@H](Nc1cccc[nH+]1)c1ccc(Cl)cc1 ZINC000092960935 345649219 /nfs/dbraw/zinc/64/92/19/345649219.db2.gz VCHLYBXQWDLDDT-LBPRGKRZSA-N 1 2 248.713 2.881 10 0 BFAELO Cc1cccc(C)c1OCCCC[NH+]1CC1 ZINC000032251626 345759401 /nfs/dbraw/zinc/75/94/01/345759401.db2.gz CPOUNCISHPEPRD-UHFFFAOYSA-N 1 2 219.328 2.778 10 0 BFAELO C[C@H]1CCc2[nH+]c(-c3ccncc3)cn2C1 ZINC000258378041 345783524 /nfs/dbraw/zinc/78/35/24/345783524.db2.gz MOFSCSUWERWBDJ-JTQLQIEISA-N 1 2 213.284 2.527 10 0 BFAELO C[C@H]1CCCn2cc(-c3ccncc3)[nH+]c21 ZINC000258302621 345783889 /nfs/dbraw/zinc/78/38/89/345783889.db2.gz JKKKROUMLNQGIX-JTQLQIEISA-N 1 2 213.284 2.842 10 0 BFAELO CC[C@H]1CC[C@@H](C)[N@@H+]1Cc1nnc(Cl)s1 ZINC000136108457 345845811 /nfs/dbraw/zinc/84/58/11/345845811.db2.gz FUZOKIUHJAFUFG-SFYZADRCSA-N 1 2 245.779 2.954 10 0 BFAELO CC[C@H]1CC[C@@H](C)[N@H+]1Cc1nnc(Cl)s1 ZINC000136108457 345845813 /nfs/dbraw/zinc/84/58/13/345845813.db2.gz FUZOKIUHJAFUFG-SFYZADRCSA-N 1 2 245.779 2.954 10 0 BFAELO Cc1ccc([C@H]([NH3+])c2ccc(Cl)o2)o1 ZINC000235883568 345957489 /nfs/dbraw/zinc/95/74/89/345957489.db2.gz VUEFGUZHCNZRCF-JTQLQIEISA-N 1 2 211.648 2.883 10 0 BFAELO Clc1nc2sccc2c(-n2cc[nH+]c2)n1 ZINC000236068569 346187705 /nfs/dbraw/zinc/18/77/05/346187705.db2.gz GSROFLMIPYSUIA-UHFFFAOYSA-N 1 2 236.687 2.530 10 0 BFAELO [NH3+][C@@H](c1cscc1Br)C(F)F ZINC000236310673 346224836 /nfs/dbraw/zinc/22/48/36/346224836.db2.gz QLSFPBBRXRYSJJ-YFKPBYRVSA-N 1 2 242.088 2.776 10 0 BFAELO CCC(O)(CC)c1ccc2[nH]c(C)[nH+]c2c1 ZINC000202435002 346605603 /nfs/dbraw/zinc/60/56/03/346605603.db2.gz LSVBZXHYPQDHJF-UHFFFAOYSA-N 1 2 218.300 2.879 10 0 BFAELO CCC(O)(CC)c1ccc2[nH+]c(C)[nH]c2c1 ZINC000202435002 346605607 /nfs/dbraw/zinc/60/56/07/346605607.db2.gz LSVBZXHYPQDHJF-UHFFFAOYSA-N 1 2 218.300 2.879 10 0 BFAELO Cc1ccc(Br)c2cc(N)[nH+]cc12 ZINC000165109905 346641990 /nfs/dbraw/zinc/64/19/90/346641990.db2.gz IMTPHBPXWRIKDN-UHFFFAOYSA-N 1 2 237.100 2.888 10 0 BFAELO Cc1ccccc1N[C@H]1CCn2cc[nH+]c21 ZINC000294062235 179306830 /nfs/dbraw/zinc/30/68/30/179306830.db2.gz KEKCOYLQUULIHY-LBPRGKRZSA-N 1 2 213.284 2.748 10 0 BFAELO Cc1ccccc1OCc1ccc[nH+]c1N ZINC000052734671 179313187 /nfs/dbraw/zinc/31/31/87/179313187.db2.gz DLLKGQGZLZWXRV-UHFFFAOYSA-N 1 2 214.268 2.551 10 0 BFAELO C[Si](C)(C)c1[nH]c[nH+]c1C[C@@H]1CC=CCC1 ZINC000197026414 348084140 /nfs/dbraw/zinc/08/41/40/348084140.db2.gz YIRSTCPKSAQRKW-LLVKDONJSA-N 1 2 234.419 2.854 10 0 BFAELO C[Si](C)(C)c1[nH+]c[nH]c1C[C@@H]1CC=CCC1 ZINC000197026414 348084141 /nfs/dbraw/zinc/08/41/41/348084141.db2.gz YIRSTCPKSAQRKW-LLVKDONJSA-N 1 2 234.419 2.854 10 0 BFAELO Cc1[nH+]c2c(F)ccc(F)c2c(N)c1C ZINC000050869812 180066355 /nfs/dbraw/zinc/06/63/55/180066355.db2.gz HWQLLMFOAXCHJK-UHFFFAOYSA-N 1 2 208.211 2.712 10 0 BFAELO Cc1csc2c1[nH+]c(-c1ccnn1C)cc2N ZINC000725257806 538068396 /nfs/dbraw/zinc/06/83/96/538068396.db2.gz XOIOTBSHWOZUAW-UHFFFAOYSA-N 1 2 244.323 2.587 10 0 BFAELO Cc1[nH+]cccc1N[C@H]1CCCc2c1cnn2C ZINC000091495555 180227943 /nfs/dbraw/zinc/22/79/43/180227943.db2.gz ZWBSFLIWKRMIJE-ZDUSSCGKSA-N 1 2 242.326 2.613 10 0 BFAELO Cc1[nH+]cn(-c2ccc(Cl)cc2N)c1C ZINC000051925483 180285197 /nfs/dbraw/zinc/28/51/97/180285197.db2.gz TWQOSTCVYBAASI-UHFFFAOYSA-N 1 2 221.691 2.725 10 0 BFAELO COC(=[NH2+])CCc1c[nH]nc1-c1ccsc1 ZINC000409440217 350482038 /nfs/dbraw/zinc/48/20/38/350482038.db2.gz LOUZXUXWXGUCAL-UHFFFAOYSA-N 1 2 235.312 2.694 10 0 BFAELO Cc1[nH]n2cc[nH+]c2c1-c1cccs1 ZINC000000011614 180394595 /nfs/dbraw/zinc/39/45/95/180394595.db2.gz GWNORQZNWYHWKO-UHFFFAOYSA-N 1 2 203.270 2.699 10 0 BFAELO [NH3+]c1ccc2c(c1)C[C@H](O)[C@@H](C1CCCCC1)N2 ZINC000725267438 538098454 /nfs/dbraw/zinc/09/84/54/538098454.db2.gz GXOTWGSVMLQDRV-LSDHHAIUSA-N 1 2 246.354 2.547 10 0 BFAELO Cc1csc([C@H]2[NH2+][C@H](C)CCS2)n1 ZINC000159621511 350955270 /nfs/dbraw/zinc/95/52/70/350955270.db2.gz SVOJUVBHTGDXOU-SVRRBLITSA-N 1 2 214.359 2.565 10 0 BFAELO CC(C)[N@@H+]1CCN[C@@H](c2cccc(Cl)c2)C1 ZINC000616632719 351113318 /nfs/dbraw/zinc/11/33/18/351113318.db2.gz YHYJSOWLIFWTCX-CYBMUJFWSA-N 1 2 238.762 2.695 10 0 BFAELO CC(C)[N@H+]1CCN[C@@H](c2cccc(Cl)c2)C1 ZINC000616632719 351113321 /nfs/dbraw/zinc/11/33/21/351113321.db2.gz YHYJSOWLIFWTCX-CYBMUJFWSA-N 1 2 238.762 2.695 10 0 BFAELO CC(C)[N@@H+]1CCN[C@H](c2cccc(Cl)c2)C1 ZINC000616633045 351114678 /nfs/dbraw/zinc/11/46/78/351114678.db2.gz YHYJSOWLIFWTCX-ZDUSSCGKSA-N 1 2 238.762 2.695 10 0 BFAELO CC(C)[N@H+]1CCN[C@H](c2cccc(Cl)c2)C1 ZINC000616633045 351114680 /nfs/dbraw/zinc/11/46/80/351114680.db2.gz YHYJSOWLIFWTCX-ZDUSSCGKSA-N 1 2 238.762 2.695 10 0 BFAELO CCN1c2ccccc2CC[C@@H]1c1[nH]cc[nH+]1 ZINC000616669910 351229718 /nfs/dbraw/zinc/22/97/18/351229718.db2.gz SQZALGNNVUDHDN-CYBMUJFWSA-N 1 2 227.311 2.924 10 0 BFAELO CC(C)N1C[C@@H](c2[nH]cc[nH+]2)Nc2ccccc21 ZINC000616681178 351248211 /nfs/dbraw/zinc/24/82/11/351248211.db2.gz NTBFUTPDFCTLSV-LBPRGKRZSA-N 1 2 242.326 2.791 10 0 BFAELO CN1c2ccccc2CC[C@@H]1c1[nH]cc[nH+]1 ZINC000616668827 351228307 /nfs/dbraw/zinc/22/83/07/351228307.db2.gz XMYVISLRVOPYEC-GFCCVEGCSA-N 1 2 213.284 2.533 10 0 BFAELO CCc1nc([C@H]2[NH2+]C(C)(C)CS2)cs1 ZINC000307050131 351447989 /nfs/dbraw/zinc/44/79/89/351447989.db2.gz QRZSAENMDTXPBS-VIFPVBQESA-N 1 2 228.386 2.819 10 0 BFAELO C/C(=C\Cl)C[NH2+]N1[C@H](C)CCC[C@H]1C ZINC000232000786 351507291 /nfs/dbraw/zinc/50/72/91/351507291.db2.gz ZLGGMJLBCISWFK-JKWVPGAPSA-N 1 2 216.756 2.897 10 0 BFAELO Clc1nccc(C[NH+]2CCC2)c1Cl ZINC000307193442 351594546 /nfs/dbraw/zinc/59/45/46/351594546.db2.gz NXOGMJKLFKDNNM-UHFFFAOYSA-N 1 2 217.099 2.594 10 0 BFAELO CC[C@@H](C)[C@@H]1CC(=O)C[N@@H+]1Cc1ccccc1 ZINC000725272301 538104221 /nfs/dbraw/zinc/10/42/21/538104221.db2.gz KMSQZFIHCRMWKK-DOMZBBRYSA-N 1 2 231.339 2.876 10 0 BFAELO CC[C@@H](C)[C@@H]1CC(=O)C[N@H+]1Cc1ccccc1 ZINC000725272301 538104222 /nfs/dbraw/zinc/10/42/22/538104222.db2.gz KMSQZFIHCRMWKK-DOMZBBRYSA-N 1 2 231.339 2.876 10 0 BFAELO CCC[C@H]1CC(=O)C[N@@H+]1Cc1ccccc1 ZINC000725272559 538104355 /nfs/dbraw/zinc/10/43/55/538104355.db2.gz PTIXUQIBEZCNSX-ZDUSSCGKSA-N 1 2 217.312 2.630 10 0 BFAELO CCC[C@H]1CC(=O)C[N@H+]1Cc1ccccc1 ZINC000725272559 538104356 /nfs/dbraw/zinc/10/43/56/538104356.db2.gz PTIXUQIBEZCNSX-ZDUSSCGKSA-N 1 2 217.312 2.630 10 0 BFAELO CC(C)N(Cc1[nH]cc[nH+]1)c1ccccc1 ZINC000095559428 188016052 /nfs/dbraw/zinc/01/60/52/188016052.db2.gz FLUNLUFFEQTLNP-UHFFFAOYSA-N 1 2 215.300 2.825 10 0 BFAELO Cc1cccc(Oc2cc[nH+]cc2N)c1 ZINC000020370624 188005395 /nfs/dbraw/zinc/00/53/95/188005395.db2.gz HYIMUYFMOKZSNN-UHFFFAOYSA-N 1 2 200.241 2.765 10 0 BFAELO CC(C)COC[C@H](C)Nc1cccc[nH+]1 ZINC000301586060 188336831 /nfs/dbraw/zinc/33/68/31/188336831.db2.gz VZUVDZYQTVVKTQ-NSHDSACASA-N 1 2 208.305 2.555 10 0 BFAELO CC(C)C=CNc1[nH+]cnc2[nH]ccc21 ZINC000215922849 188355628 /nfs/dbraw/zinc/35/56/28/188355628.db2.gz DACAIEZGHFKSSA-HYXAFXHYSA-N 1 2 202.261 2.540 10 0 BFAELO CCc1cc(N[C@@H](C)c2ncc(C)o2)nc[nH+]1 ZINC000226546795 538116754 /nfs/dbraw/zinc/11/67/54/538116754.db2.gz FKZKHVVEJHYQOO-VIFPVBQESA-N 1 2 232.287 2.509 10 0 BFAELO CC[C@H](Nc1nc[nH+]c(N)c1Cl)C(C)C ZINC000234043179 363414861 /nfs/dbraw/zinc/41/48/61/363414861.db2.gz QPKMPTKMBLGGOB-ZETCQYMHSA-N 1 2 228.727 2.559 10 0 BFAELO CC[C@H](Nc1[nH+]cnc(N)c1Cl)C(C)C ZINC000234043179 363414863 /nfs/dbraw/zinc/41/48/63/363414863.db2.gz QPKMPTKMBLGGOB-ZETCQYMHSA-N 1 2 228.727 2.559 10 0 BFAELO Cc1cnc([C@@H](C)Nc2cccc[nH+]2)o1 ZINC000235210866 363439905 /nfs/dbraw/zinc/43/99/05/363439905.db2.gz VXMMFOSUDVPNAC-SECBINFHSA-N 1 2 203.245 2.551 10 0 BFAELO COC(=[NH2+])c1ccc(C)cc1Br ZINC000129704726 355916407 /nfs/dbraw/zinc/91/64/07/355916407.db2.gz AUKQTRIXOMEAOV-UHFFFAOYSA-N 1 2 228.089 2.729 10 0 BFAELO Cc1cnc([C@@H](C)[NH2+]Cc2ccc(C)cn2)o1 ZINC000231526461 357609540 /nfs/dbraw/zinc/60/95/40/357609540.db2.gz XSRCDUAVKOGGCS-LLVKDONJSA-N 1 2 231.299 2.537 10 0 BFAELO Cc1cc[nH+]cc1N[C@@H](C)C1CCOCC1 ZINC000134338587 358787652 /nfs/dbraw/zinc/78/76/52/358787652.db2.gz GNLDGAQMDOHKMC-NSHDSACASA-N 1 2 220.316 2.617 10 0 BFAELO C[NH2+][C@H](c1ccc(F)cc1)C(C)(F)F ZINC000306320175 359603747 /nfs/dbraw/zinc/60/37/47/359603747.db2.gz BQLCVKTYOITZSP-SECBINFHSA-N 1 2 203.207 2.741 10 0 BFAELO Clc1ccc(Cl)c(C[NH+]2CCC2)n1 ZINC000306415131 359822273 /nfs/dbraw/zinc/82/22/73/359822273.db2.gz ZNBDDBITWNUSCW-UHFFFAOYSA-N 1 2 217.099 2.594 10 0 BFAELO Cc1noc(C[NH2+][C@@H](C)c2ccc(C)c(F)c2)n1 ZINC000094837570 360322900 /nfs/dbraw/zinc/32/29/00/360322900.db2.gz LPHYREIVUJEIEB-VIFPVBQESA-N 1 2 249.289 2.676 10 0 BFAELO Cc1cc(-c2cc(Cl)cnc2F)cc(N)[nH+]1 ZINC000725241556 541329981 /nfs/dbraw/zinc/32/99/81/541329981.db2.gz XYWAMVZJJIBXSD-UHFFFAOYSA-N 1 2 237.665 2.827 10 0 BFAELO CCn1cc[nH+]c1C[S@@](=O)CCCC(C)C ZINC000182309344 366884307 /nfs/dbraw/zinc/88/43/07/366884307.db2.gz MBVKMFJVWLKPHE-INIZCTEOSA-N 1 2 242.388 2.588 10 0 BFAELO Cc1cnc([C@H](C)[NH2+]Cc2ccnc(C)c2)o1 ZINC000621278780 370210586 /nfs/dbraw/zinc/21/05/86/370210586.db2.gz YJYHDJHAJDEAQB-NSHDSACASA-N 1 2 231.299 2.537 10 0 BFAELO [NH3+][C@@H](c1ccco1)c1c(F)cccc1F ZINC000043606876 181565404 /nfs/dbraw/zinc/56/54/04/181565404.db2.gz KXYIZMOEDCFPMT-NSHDSACASA-N 1 2 209.195 2.606 10 0 BFAELO CCc1noc(C[NH2+][C@@H](C)c2ccccc2C)n1 ZINC000126282754 371510136 /nfs/dbraw/zinc/51/01/36/371510136.db2.gz ZKFGPLLLQCIJFR-NSHDSACASA-N 1 2 245.326 2.791 10 0 BFAELO Cc1nc([C@@H]2[NH2+]C(C)(C)CS2)cs1 ZINC000126799795 371551321 /nfs/dbraw/zinc/55/13/21/371551321.db2.gz OBFJSTMZHBJEQZ-MRVPVSSYSA-N 1 2 214.359 2.565 10 0 BFAELO Fc1ccc(-c2[nH]cc[nH+]2)c(Br)c1 ZINC000228863166 372085226 /nfs/dbraw/zinc/08/52/26/372085226.db2.gz RZFIQRHOLUQTLY-UHFFFAOYSA-N 1 2 241.063 2.978 10 0 BFAELO CC(C)c1ccc2[nH+]ccc(NN)c2c1 ZINC000040175271 373115344 /nfs/dbraw/zinc/11/53/44/373115344.db2.gz BADTXLGPOOXDHJ-UHFFFAOYSA-N 1 2 201.273 2.644 10 0 BFAELO CCCN(C)c1ccc2cc(N)ccc2[nH+]1 ZINC000035343677 169088052 /nfs/dbraw/zinc/08/80/52/169088052.db2.gz LIYCLEPJAWUJGE-UHFFFAOYSA-N 1 2 215.300 2.663 10 0 BFAELO Oc1ccc([C@@H]2OCC[C@H]3CCCC[N@@H+]32)cc1 ZINC000004228051 183279064 /nfs/dbraw/zinc/27/90/64/183279064.db2.gz MTNHRTUBILGTGY-OCCSQVGLSA-N 1 2 233.311 2.666 10 0 BFAELO Oc1ccc([C@@H]2OCC[C@H]3CCCC[N@H+]32)cc1 ZINC000004228051 183279066 /nfs/dbraw/zinc/27/90/66/183279066.db2.gz MTNHRTUBILGTGY-OCCSQVGLSA-N 1 2 233.311 2.666 10 0 BFAELO Oc1cccc2c(NCc3[nH]cc[nH+]3)cccc12 ZINC000049715377 183294447 /nfs/dbraw/zinc/29/44/47/183294447.db2.gz VYMRDTLOXYQZFD-UHFFFAOYSA-N 1 2 239.278 2.881 10 0 BFAELO c1cc2cc(C[NH+]3CCOCC3)ccc2s1 ZINC000089195338 183375037 /nfs/dbraw/zinc/37/50/37/183375037.db2.gz YSZQOYTUCRWYBX-UHFFFAOYSA-N 1 2 233.336 2.734 10 0 BFAELO CCC[NH2+][C@@H](C(=O)OCC)c1cc(C)ccc1C ZINC000049670788 169273230 /nfs/dbraw/zinc/27/32/30/169273230.db2.gz DPKKPHHOKANEDC-CQSZACIVSA-N 1 2 249.354 2.907 10 0 BFAELO CCCOc1cccc(-c2nc(N)cc(C)[nH+]2)c1 ZINC000052921589 169324324 /nfs/dbraw/zinc/32/43/24/169324324.db2.gz CJZCZNSICHAJES-UHFFFAOYSA-N 1 2 243.310 2.823 10 0 BFAELO Cc1cccc([C@@H](C)[NH2+]Cc2csnn2)c1 ZINC000088162129 383883190 /nfs/dbraw/zinc/88/31/90/383883190.db2.gz QTLJQWJNXVNZLF-SNVBAGLBSA-N 1 2 233.340 2.697 10 0 BFAELO C[C@@H]1C[C@@H]1Nc1cc(C(F)(F)F)cc[nH+]1 ZINC000078612383 384076430 /nfs/dbraw/zinc/07/64/30/384076430.db2.gz WTHPWEOYZZTQQK-SVRRBLITSA-N 1 2 216.206 2.921 10 0 BFAELO C[C@H]([NH2+][C@H]1CCOc2ccccc21)c1ncc[nH]1 ZINC000138977630 384148867 /nfs/dbraw/zinc/14/88/67/384148867.db2.gz RVUOGJUQIFSHRR-JQWIXIFHSA-N 1 2 243.310 2.584 10 0 BFAELO CCn1cc[nH+]c1CSCC(=O)C(C)(C)C ZINC000176958896 384824064 /nfs/dbraw/zinc/82/40/64/384824064.db2.gz XMMWNNJBDKDKJQ-UHFFFAOYSA-N 1 2 240.372 2.751 10 0 BFAELO COC(=O)[C@H]([NH2+][C@@H]1C[C@H](C)[C@H]1C)c1ccccc1 ZINC000311105609 385319399 /nfs/dbraw/zinc/31/93/99/385319399.db2.gz QTKOBFOTIVOQGS-OIMNJJJWSA-N 1 2 247.338 2.535 10 0 BFAELO COC(=O)[C@H]([NH2+][C@@H]1C[C@H](C)[C@@H]1C)c1ccccc1 ZINC000311105602 385319472 /nfs/dbraw/zinc/31/94/72/385319472.db2.gz QTKOBFOTIVOQGS-CDGCEXEKSA-N 1 2 247.338 2.535 10 0 BFAELO COC(=O)C1CCC(Nc2c[nH+]ccc2C)CC1 ZINC000192446889 385357291 /nfs/dbraw/zinc/35/72/91/385357291.db2.gz YVNBXDLLSVNTDW-UHFFFAOYSA-N 1 2 248.326 2.534 10 0 BFAELO Cc1nnc(C[NH2+][C@H](C)c2ccc(C)c(F)c2)o1 ZINC000181361483 385404421 /nfs/dbraw/zinc/40/44/21/385404421.db2.gz DLVOFJSKZVZLDS-SECBINFHSA-N 1 2 249.289 2.676 10 0 BFAELO Nc1ccc2cc(OC(F)(F)F)ccc2[nH+]1 ZINC000521400464 386445699 /nfs/dbraw/zinc/44/56/99/386445699.db2.gz NNCNPTQDIOWJPB-UHFFFAOYSA-N 1 2 228.173 2.546 10 0 BFAELO CC(F)(F)[C@@H]([NH3+])c1ccc(F)cc1F ZINC000306681198 386665236 /nfs/dbraw/zinc/66/52/36/386665236.db2.gz NGUJQRLDMKGVSY-QMMMGPOBSA-N 1 2 207.170 2.620 10 0 BFAELO Cc1nc(C[NH2+][C@H](C)c2cncc(F)c2)oc1C ZINC000228578352 387093842 /nfs/dbraw/zinc/09/38/42/387093842.db2.gz ASIAMPAHXBVJNX-SECBINFHSA-N 1 2 249.289 2.676 10 0 BFAELO Nc1[nH+]cccc1Sc1ccccc1 ZINC000039370235 387221368 /nfs/dbraw/zinc/22/13/68/387221368.db2.gz URBIZDKERKNRAY-UHFFFAOYSA-N 1 2 202.282 2.815 10 0 BFAELO c1nc([C@@H]2CCCC[N@H+]2CCC2CCCC2)n[nH]1 ZINC000121737585 387403686 /nfs/dbraw/zinc/40/36/86/387403686.db2.gz CNKZWHBFWHOPQN-ZDUSSCGKSA-N 1 2 248.374 2.912 10 0 BFAELO c1nc([C@@H]2CCCC[N@@H+]2CCC2CCCC2)n[nH]1 ZINC000121737585 387403688 /nfs/dbraw/zinc/40/36/88/387403688.db2.gz CNKZWHBFWHOPQN-ZDUSSCGKSA-N 1 2 248.374 2.912 10 0 BFAELO CCc1nnc(C[NH2+][C@@H](C)c2ccccc2C)o1 ZINC000192502320 387417876 /nfs/dbraw/zinc/41/78/76/387417876.db2.gz SSBNOWRFLXKEAG-NSHDSACASA-N 1 2 245.326 2.791 10 0 BFAELO C[C@@]([NH3+])(c1ccc(Cl)s1)C(F)F ZINC000575572974 387752544 /nfs/dbraw/zinc/75/25/44/387752544.db2.gz VEEXZFDLRDVQDS-SSDOTTSWSA-N 1 2 211.664 2.841 10 0 BFAELO Clc1cc([C@H]2COCC[NH2+]2)c(Cl)s1 ZINC000306352866 387722776 /nfs/dbraw/zinc/72/27/76/387722776.db2.gz OQEBWBXFMGIOBC-ZCFIWIBFSA-N 1 2 238.139 2.716 10 0 BFAELO C[C@H](Nc1[nH+]c2ccccc2n1C)[C@H]1CCCO1 ZINC000079044335 387938031 /nfs/dbraw/zinc/93/80/31/387938031.db2.gz WBITUJIUZGKACQ-GXFFZTMASA-N 1 2 245.326 2.553 10 0 BFAELO Cc1cnc(C[NH2+][C@@H]2COc3ccccc32)s1 ZINC000268938078 389005425 /nfs/dbraw/zinc/00/54/25/389005425.db2.gz ZHVUMCGCRHFNPN-LLVKDONJSA-N 1 2 246.335 2.675 10 0 BFAELO CC[C@H]1CCC[N@@H+](c2ccccc2C(N)=S)C1 ZINC000036170021 132340359 /nfs/dbraw/zinc/34/03/59/132340359.db2.gz ASKAXCODBNRZQG-NSHDSACASA-N 1 2 248.395 2.947 10 0 BFAELO CC[C@H]1CCC[N@H+](c2ccccc2C(N)=S)C1 ZINC000036170021 132340360 /nfs/dbraw/zinc/34/03/60/132340360.db2.gz ASKAXCODBNRZQG-NSHDSACASA-N 1 2 248.395 2.947 10 0 BFAELO Cc1cnc([C@@H](C)[NH2+]Cc2cncc(C)c2)o1 ZINC000220957747 134314823 /nfs/dbraw/zinc/31/48/23/134314823.db2.gz AZKIHZWXQAWPNO-LLVKDONJSA-N 1 2 231.299 2.537 10 0 BFAELO Cc1cnc([C@H](C)[NH2+]Cc2ccc(C)nc2)o1 ZINC000220909528 134315410 /nfs/dbraw/zinc/31/54/10/134315410.db2.gz KKODNYRJFXUTDL-NSHDSACASA-N 1 2 231.299 2.537 10 0 BFAELO Cc1cnc([C@H](C)[NH2+]Cc2ccccc2F)o1 ZINC000220884578 134316708 /nfs/dbraw/zinc/31/67/08/134316708.db2.gz XNHIZZKRNRWTRD-JTQLQIEISA-N 1 2 234.274 2.973 10 0 BFAELO CC(C)(C)CC[N@@H+]1CCCC[C@@H]1c1nc[nH]n1 ZINC000182694796 134346909 /nfs/dbraw/zinc/34/69/09/134346909.db2.gz ULDRGDUHBILJOM-LLVKDONJSA-N 1 2 236.363 2.768 10 0 BFAELO CC(C)(C)CC[N@H+]1CCCC[C@@H]1c1nc[nH]n1 ZINC000182694796 134346910 /nfs/dbraw/zinc/34/69/10/134346910.db2.gz ULDRGDUHBILJOM-LLVKDONJSA-N 1 2 236.363 2.768 10 0 BFAELO Cc1ccc([C@@H](C)[NH2+]Cc2ncc(C)cn2)o1 ZINC000348261884 136057904 /nfs/dbraw/zinc/05/79/04/136057904.db2.gz NEKATCATKYFKNS-LLVKDONJSA-N 1 2 231.299 2.537 10 0 BFAELO Brc1cccc(-n2cc[nH+]c2)c1 ZINC000013283501 166101397 /nfs/dbraw/zinc/10/13/97/166101397.db2.gz QUGKDYCNOGZPMO-UHFFFAOYSA-N 1 2 223.073 2.635 10 0 BFAELO CC(C)Nc1ccccc1-c1[nH]cc[nH+]1 ZINC000089202660 167146271 /nfs/dbraw/zinc/14/62/71/167146271.db2.gz QJOVTAJMORGYQH-UHFFFAOYSA-N 1 2 201.273 2.897 10 0 BFAELO CC(C)Nc1ccccc1-n1cc[nH+]c1 ZINC000036920400 167146349 /nfs/dbraw/zinc/14/63/49/167146349.db2.gz IUMGWJJILCEOIS-UHFFFAOYSA-N 1 2 201.273 2.693 10 0 BFAELO Clc1ccc2c(c1)nccc2N1CCCC[NH2+]1 ZINC000400263476 411153858 /nfs/dbraw/zinc/15/38/58/411153858.db2.gz MUMSGHWKFAJPAA-UHFFFAOYSA-N 1 2 247.729 2.993 10 0 BFAELO COCCc1ccc(-c2c[nH+]c(N)c(C)c2)cc1 ZINC000129752435 411387223 /nfs/dbraw/zinc/38/72/23/411387223.db2.gz IVSGLBLVOHVNBN-UHFFFAOYSA-N 1 2 242.322 2.828 10 0 BFAELO Cc1cc[nH+]c(C)c1NC(=O)N1C[C@@H]2CCC[C@H]21 ZINC000334457183 411517299 /nfs/dbraw/zinc/51/72/99/411517299.db2.gz IEWLLFXZEWHHJW-NWDGAFQWSA-N 1 2 245.326 2.715 10 0 BFAELO Cc1cc[nH+]c(C)c1NC(=O)N1C[C@H]2CCC[C@@H]21 ZINC000334457181 411517459 /nfs/dbraw/zinc/51/74/59/411517459.db2.gz IEWLLFXZEWHHJW-NEPJUHHUSA-N 1 2 245.326 2.715 10 0 BFAELO CC[NH2+][C@](C)(C(=O)OCC)c1cc(C)ccc1C ZINC000037447115 170170197 /nfs/dbraw/zinc/17/01/97/170170197.db2.gz BDQWDEVOLFJWJX-HNNXBMFYSA-N 1 2 249.354 2.691 10 0 BFAELO CC[NH2+][C@](C)(C(=O)OC)c1c(C)cc(C)cc1C ZINC000037446678 170170777 /nfs/dbraw/zinc/17/07/77/170170777.db2.gz NHEWAXMNFUFQRZ-HNNXBMFYSA-N 1 2 249.354 2.610 10 0 BFAELO CCNc1cc(C)[nH+]c(C2CCCC2)n1 ZINC000050848701 170172372 /nfs/dbraw/zinc/17/23/72/170172372.db2.gz KUQLKSHFARCPGW-UHFFFAOYSA-N 1 2 205.305 2.874 10 0 BFAELO CCOC(=[NH2+])c1cc2c(cc1OCC)C[C@H](C)O2 ZINC000037928150 170179955 /nfs/dbraw/zinc/17/99/55/170179955.db2.gz MXHNYIBNYTZUQG-VIFPVBQESA-N 1 2 249.310 2.771 10 0 BFAELO CCOC(=O)[C@H]([NH2+][C@H](C)CC)c1ccccc1C ZINC000038067638 170277643 /nfs/dbraw/zinc/27/76/43/170277643.db2.gz YVZHBVMJADUBGG-TZMCWYRMSA-N 1 2 249.354 2.987 10 0 BFAELO CC[C@H](C)[NH2+][C@@H](C(=O)OC)c1ccc(C)cc1C ZINC000038066871 171345511 /nfs/dbraw/zinc/34/55/11/171345511.db2.gz MESAZHZWTORCFE-GXTWGEPZSA-N 1 2 249.354 2.906 10 0 BFAELO CC[C@H](C)[NH2+][C@H](C(=O)OC)c1ccccc1C ZINC000038066945 171347963 /nfs/dbraw/zinc/34/79/63/171347963.db2.gz ZOWOQDUUPYPGJA-AAEUAGOBSA-N 1 2 235.327 2.597 10 0 BFAELO CCc1c(C)[nH+]c(-c2ccccc2)nc1N ZINC000050845323 171740376 /nfs/dbraw/zinc/74/03/76/171740376.db2.gz YJGRPBCCSXURMB-UHFFFAOYSA-N 1 2 213.284 2.597 10 0 BFAELO CCn1c2cc(C)c(C)cc2[nH+]c1CCCO ZINC000040310937 172143343 /nfs/dbraw/zinc/14/33/43/172143343.db2.gz QUEWHGQFNIHOLT-UHFFFAOYSA-N 1 2 232.327 2.598 10 0 BFAELO COc1ccc[nH+]c1N[C@H](C)c1cccc(O)c1 ZINC000383467101 487624322 /nfs/dbraw/zinc/62/43/22/487624322.db2.gz JHVHTXZURPPHIN-SNVBAGLBSA-N 1 2 244.294 2.969 10 0 BFAELO COC(=O)[C@@](C)([NH2+]CC(C)C)c1ccc(C)cc1 ZINC000037965784 173754502 /nfs/dbraw/zinc/75/45/02/173754502.db2.gz ZEXNUNNXXFURSX-HNNXBMFYSA-N 1 2 249.354 2.629 10 0 BFAELO COC(=O)[C@H]([NH2+]CC1CC1)c1ccc(C)cc1C ZINC000037967831 173802774 /nfs/dbraw/zinc/80/27/74/173802774.db2.gz KIJXFSOHFNVKAU-CQSZACIVSA-N 1 2 247.338 2.517 10 0 BFAELO COc1ccc(-n2c[nH+]c3cc(N)ccc32)cc1 ZINC000000278541 175045096 /nfs/dbraw/zinc/04/50/96/175045096.db2.gz AKZKDPVPYUBENY-UHFFFAOYSA-N 1 2 239.278 2.616 10 0 BFAELO COc1ccc2c(c1)[C@@H](c1c[nH]c[nH+]1)CCC2 ZINC000013765319 175215640 /nfs/dbraw/zinc/21/56/40/175215640.db2.gz IKGOFDYUYWMHRI-LBPRGKRZSA-N 1 2 228.295 2.887 10 0 BFAELO COc1cccc(-c2[nH]c3c(cccc3N)[nH+]2)c1 ZINC000036281918 175236524 /nfs/dbraw/zinc/23/65/24/175236524.db2.gz PVMPHPLXXBKBFK-UHFFFAOYSA-N 1 2 239.278 2.821 10 0 BFAELO C[C@@H]1CCC[N@@H+]1CC(=O)c1ccc(F)cc1F ZINC000037911510 176108192 /nfs/dbraw/zinc/10/81/92/176108192.db2.gz DZQJCVCISSOSFH-SECBINFHSA-N 1 2 239.265 2.632 10 0 BFAELO C[C@@H]1CCC[N@H+]1CC(=O)c1ccc(F)cc1F ZINC000037911510 176108193 /nfs/dbraw/zinc/10/81/93/176108193.db2.gz 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214.062 2.542 10 0 BFAELO CC(C)(C)OC(=O)C[NH2+]CCCc1ccccc1 ZINC000037488528 343347369 /nfs/dbraw/zinc/34/73/69/343347369.db2.gz CXNYYUDIEZLDPB-UHFFFAOYSA-N 1 2 249.354 2.551 10 0 BFAELO CCc1cc2cc(OC)c(OC)cc2c[nH+]1 ZINC000039119740 343385786 /nfs/dbraw/zinc/38/57/86/343385786.db2.gz XMRVPIOYSAGZAG-UHFFFAOYSA-N 1 2 217.268 2.814 10 0 BFAELO CC(=O)n1cc(C2=[NH+]CCC2)c2ccccc21 ZINC000205543924 343632823 /nfs/dbraw/zinc/63/28/23/343632823.db2.gz FTLDCYXWGWCHNE-UHFFFAOYSA-N 1 2 226.279 2.884 10 0 BFAELO Clc1cn2cc[nH+]c2cc1Br ZINC000306340641 344124787 /nfs/dbraw/zinc/12/47/87/344124787.db2.gz WNYOLSIVXPEMDW-UHFFFAOYSA-N 1 2 231.480 2.750 10 0 BFAELO CCn1cc[nH+]c1-c1cc(F)cc(OC)c1 ZINC000616574274 344186453 /nfs/dbraw/zinc/18/64/53/344186453.db2.gz MOOLNOQVSHTTGQ-UHFFFAOYSA-N 1 2 220.247 2.718 10 0 BFAELO C[C@H]1CS[C@H](c2ncc(Cl)s2)[NH2+]1 ZINC000223219367 344380628 /nfs/dbraw/zinc/38/06/28/344380628.db2.gz NNBRRDRVVFMLLL-MHTLYPKNSA-N 1 2 220.750 2.520 10 0 BFAELO Cc1noc([C@@H](C)[NH2+][C@@H](C)c2cccs2)n1 ZINC000309424785 347059670 /nfs/dbraw/zinc/05/96/70/347059670.db2.gz KGMCHHCKZXZAQT-JGVFFNPUSA-N 1 2 237.328 2.851 10 0 BFAELO C[C@@H]1C[NH2+][C@H](c2occc2Br)S1 ZINC000235376986 344897613 /nfs/dbraw/zinc/89/76/13/344897613.db2.gz YJJJSHRXVKMJHM-XRGYYRRGSA-N 1 2 248.145 2.766 10 0 BFAELO Oc1ccc([C@@H]2OCC[C@@H]3CCCC[N@@H+]32)cc1 ZINC000011757586 344998530 /nfs/dbraw/zinc/99/85/30/344998530.db2.gz MTNHRTUBILGTGY-JSGCOSHPSA-N 1 2 233.311 2.666 10 0 BFAELO Oc1ccc([C@@H]2OCC[C@@H]3CCCC[N@H+]32)cc1 ZINC000011757586 344998531 /nfs/dbraw/zinc/99/85/31/344998531.db2.gz MTNHRTUBILGTGY-JSGCOSHPSA-N 1 2 233.311 2.666 10 0 BFAELO Cc1ccc(N[C@@H]2CCCc3c2cnn3C)c[nH+]1 ZINC000154241504 345022303 /nfs/dbraw/zinc/02/23/03/345022303.db2.gz QMGBXNQUPLLWFS-CYBMUJFWSA-N 1 2 242.326 2.613 10 0 BFAELO CC(C)COc1ccc(-n2cc[nH+]c2)cc1 ZINC000142606666 345863834 /nfs/dbraw/zinc/86/38/34/345863834.db2.gz HOBYFDPBZWTLDQ-UHFFFAOYSA-N 1 2 216.284 2.907 10 0 BFAELO CC[C@@H]1CC[C@H](C)[N@@H+]1Cc1nnc(Cl)s1 ZINC000136108353 345845570 /nfs/dbraw/zinc/84/55/70/345845570.db2.gz FUZOKIUHJAFUFG-JGVFFNPUSA-N 1 2 245.779 2.954 10 0 BFAELO CC[C@@H]1CC[C@H](C)[N@H+]1Cc1nnc(Cl)s1 ZINC000136108353 345845572 /nfs/dbraw/zinc/84/55/72/345845572.db2.gz FUZOKIUHJAFUFG-JGVFFNPUSA-N 1 2 245.779 2.954 10 0 BFAELO CCOC(=O)[C@@H](CC)[NH2+][C@H](C)c1cccc(C)c1 ZINC000160226719 346357192 /nfs/dbraw/zinc/35/71/92/346357192.db2.gz BKSLYLGREORZIX-TZMCWYRMSA-N 1 2 249.354 2.987 10 0 BFAELO Cc1c[nH]c(-c2cc(N)cc(Cl)c2)[nH+]1 ZINC000165690428 346656659 /nfs/dbraw/zinc/65/66/59/346656659.db2.gz PZMJWRIBRQEMMN-UHFFFAOYSA-N 1 2 207.664 2.621 10 0 BFAELO O=C1CC[NH+](C/C=C/c2ccc(F)cc2)CC1 ZINC000039187165 347183528 /nfs/dbraw/zinc/18/35/28/347183528.db2.gz HVAOCYAORHFUEY-OWOJBTEDSA-N 1 2 233.286 2.504 10 0 BFAELO CCc1cccc(C)c1Cc1c[nH]c[nH+]1 ZINC000118033969 347215871 /nfs/dbraw/zinc/21/58/71/347215871.db2.gz UFVMNWHBUCNENN-UHFFFAOYSA-N 1 2 200.285 2.871 10 0 BFAELO CC1(CNc2[nH]c(C(F)(F)F)c[nH+]2)CC1 ZINC000380100524 365880815 /nfs/dbraw/zinc/88/08/15/365880815.db2.gz LOWXHFHKTJBIFH-UHFFFAOYSA-N 1 2 219.210 2.641 10 0 BFAELO Cc1ccccc1Oc1cc(N)cc[nH+]1 ZINC000043569405 179314521 /nfs/dbraw/zinc/31/45/21/179314521.db2.gz QWEAYEIPUMTVTJ-UHFFFAOYSA-N 1 2 200.241 2.765 10 0 BFAELO CCN1CC[C@H](c2c[nH]c[nH+]2)c2ccccc21 ZINC000616590704 350014436 /nfs/dbraw/zinc/01/44/36/350014436.db2.gz PYVXAWVOKVCYCD-NSHDSACASA-N 1 2 227.311 2.772 10 0 BFAELO Cc1[nH]c(CC2(C(F)(F)F)CC2)c[nH+]1 ZINC000096028776 179929781 /nfs/dbraw/zinc/92/97/81/179929781.db2.gz SXKROCRZWDEOPW-UHFFFAOYSA-N 1 2 204.195 2.603 10 0 BFAELO Cc1nc([C@@H](C)N[C@H](C)c2[nH]cc[nH+]2)cs1 ZINC000124801684 180038245 /nfs/dbraw/zinc/03/82/45/180038245.db2.gz VLSVPDOIYDOYKG-HTQZYQBOSA-N 1 2 236.344 2.586 10 0 BFAELO Cc1[nH]c2c(cc(F)cc2Br)[nH+]1 ZINC000095932003 180059463 /nfs/dbraw/zinc/05/94/63/180059463.db2.gz ZMIIMTGEHWHMBN-UHFFFAOYSA-N 1 2 229.052 2.773 10 0 BFAELO Cc1[nH+]c2c(F)c(F)ccc2c(N)c1C ZINC000050870938 180065859 /nfs/dbraw/zinc/06/58/59/180065859.db2.gz VXPSGGQMJAWUCX-UHFFFAOYSA-N 1 2 208.211 2.712 10 0 BFAELO Cc1[nH+]c2ccccc2n1CCc1ccccn1 ZINC000105683693 180104514 /nfs/dbraw/zinc/10/45/14/180104514.db2.gz SOTPGQKEUGYZJR-UHFFFAOYSA-N 1 2 237.306 2.982 10 0 BFAELO Cc1csc2[nH+]c(C)c(NC3CC3)n12 ZINC000082377679 180118135 /nfs/dbraw/zinc/11/81/35/180118135.db2.gz USSUAZHXQPKDBW-UHFFFAOYSA-N 1 2 207.302 2.587 10 0 BFAELO Cc1[nH+]c[nH]c1CNc1ccc(Cl)cc1 ZINC000054793793 180121714 /nfs/dbraw/zinc/12/17/14/180121714.db2.gz RHASCSORDWLKDL-UHFFFAOYSA-N 1 2 221.691 2.984 10 0 BFAELO Cc1nc(N[C@@H](C)c2ccco2)cc[nH+]1 ZINC000054935854 180203206 /nfs/dbraw/zinc/20/32/06/180203206.db2.gz NPQYHURTRMQZQC-QMMMGPOBSA-N 1 2 203.245 2.551 10 0 BFAELO Cc1[nH+]ccc2c3cc(O)ccc3n(C)c21 ZINC000040577070 180209185 /nfs/dbraw/zinc/20/91/85/180209185.db2.gz IEGAEJKWYJMBPB-UHFFFAOYSA-N 1 2 212.252 2.741 10 0 BFAELO CC(C)N1C[C@H](c2c[nH]c[nH+]2)Cc2ccccc21 ZINC000616595359 350606656 /nfs/dbraw/zinc/60/66/56/350606656.db2.gz ZXBASTVMGQUTEV-CYBMUJFWSA-N 1 2 241.338 2.964 10 0 BFAELO CC(C)N1C[C@H](c2c[nH+]c[nH]2)Cc2ccccc21 ZINC000616595359 350606658 /nfs/dbraw/zinc/60/66/58/350606658.db2.gz ZXBASTVMGQUTEV-CYBMUJFWSA-N 1 2 241.338 2.964 10 0 BFAELO [NH3+][C@H](c1cscc1Br)C(F)F ZINC000236300139 350733266 /nfs/dbraw/zinc/73/32/66/350733266.db2.gz QLSFPBBRXRYSJJ-RXMQYKEDSA-N 1 2 242.088 2.776 10 0 BFAELO c1[nH]nnc1[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000616616661 350856826 /nfs/dbraw/zinc/85/68/26/350856826.db2.gz NKLUIAWDDPMGNQ-AWEZNQCLSA-N 1 2 242.326 2.532 10 0 BFAELO c1[nH]nnc1[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000616616661 350856827 /nfs/dbraw/zinc/85/68/27/350856827.db2.gz NKLUIAWDDPMGNQ-AWEZNQCLSA-N 1 2 242.326 2.532 10 0 BFAELO c1nn[nH]c1[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000616616661 350856831 /nfs/dbraw/zinc/85/68/31/350856831.db2.gz NKLUIAWDDPMGNQ-AWEZNQCLSA-N 1 2 242.326 2.532 10 0 BFAELO c1nn[nH]c1[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000616616661 350856833 /nfs/dbraw/zinc/85/68/33/350856833.db2.gz NKLUIAWDDPMGNQ-AWEZNQCLSA-N 1 2 242.326 2.532 10 0 BFAELO c1n[nH]nc1[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000616616661 350856835 /nfs/dbraw/zinc/85/68/35/350856835.db2.gz NKLUIAWDDPMGNQ-AWEZNQCLSA-N 1 2 242.326 2.532 10 0 BFAELO c1n[nH]nc1[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000616616661 350856838 /nfs/dbraw/zinc/85/68/38/350856838.db2.gz NKLUIAWDDPMGNQ-AWEZNQCLSA-N 1 2 242.326 2.532 10 0 BFAELO Cc1csc([C@H]2[NH2+]CC[C@@H](C)S2)n1 ZINC000159622758 350955848 /nfs/dbraw/zinc/95/58/48/350955848.db2.gz JXDBVBVSIVNYGT-SFYZADRCSA-N 1 2 214.359 2.565 10 0 BFAELO Cc1nc([C@@H](C)[NH2+]Cc2ccns2)cs1 ZINC000404325860 351375800 /nfs/dbraw/zinc/37/58/00/351375800.db2.gz MLNHVBTYPROVLJ-SSDOTTSWSA-N 1 2 239.369 2.759 10 0 BFAELO c1ccc(N[C@@H]2CNc3ccccc3C2)[nH+]c1 ZINC000404440680 351458281 /nfs/dbraw/zinc/45/82/81/351458281.db2.gz JSAQOLPDVJZJCX-LBPRGKRZSA-N 1 2 225.295 2.530 10 0 BFAELO Cc1cc([C@@H]2[NH2+]CC[C@@H](C)S2)sn1 ZINC000404446733 351459052 /nfs/dbraw/zinc/45/90/52/351459052.db2.gz OBVRMUFSZFCANQ-VXNVDRBHSA-N 1 2 214.359 2.565 10 0 BFAELO Cc1cc([C@H]2[NH2+]CC[C@H](C)S2)sn1 ZINC000404446724 351459220 /nfs/dbraw/zinc/45/92/20/351459220.db2.gz OBVRMUFSZFCANQ-CBAPKCEASA-N 1 2 214.359 2.565 10 0 BFAELO C[NH2+][C@@H](c1cccc(F)c1)C(C)(F)F ZINC000307371033 352471327 /nfs/dbraw/zinc/47/13/27/352471327.db2.gz SWNJUTLIDNZUFP-VIFPVBQESA-N 1 2 203.207 2.741 10 0 BFAELO Cc1c(F)cc(Cl)c2[nH+]ccc(N)c12 ZINC000307541749 352645029 /nfs/dbraw/zinc/64/50/29/352645029.db2.gz YEKQWCLTXDBMIG-UHFFFAOYSA-N 1 2 210.639 2.918 10 0 BFAELO C[NH2+][C@]1(C(F)(F)F)C[C@@H](C)CC[C@H]1C ZINC000252180616 363194091 /nfs/dbraw/zinc/19/40/91/363194091.db2.gz SVPNZXQYGVBSSW-DJLDLDEBSA-N 1 2 209.255 2.963 10 0 BFAELO C[C@H]1C[NH2+][C@H](c2cccc(O)c2Cl)S1 ZINC000307656061 352744560 /nfs/dbraw/zinc/74/45/60/352744560.db2.gz YDENHXRXGDMARO-WKEGUHRASA-N 1 2 229.732 2.769 10 0 BFAELO Cc1cc[nH+]c(NCCCF)c1Br ZINC000306614376 353029842 /nfs/dbraw/zinc/02/98/42/353029842.db2.gz LYKZGLUNFRQWDL-UHFFFAOYSA-N 1 2 247.111 2.924 10 0 BFAELO Cc1csc([C@H]([NH3+])c2ncc(Cl)s2)n1 ZINC000223128692 353139538 /nfs/dbraw/zinc/13/95/38/353139538.db2.gz UHUXJCOFSAVDPV-ZCFIWIBFSA-N 1 2 245.760 2.610 10 0 BFAELO CCOC(=O)[C@@H](C)[NH2+][C@H](C)c1cccc(C)c1 ZINC000049371483 188086074 /nfs/dbraw/zinc/08/60/74/188086074.db2.gz IXKLGCCVCUHIKH-VXGBXAGGSA-N 1 2 235.327 2.597 10 0 BFAELO C[C@@H]1CCC[N@H+](Cc2nnc(Cl)s2)[C@H]1C ZINC000252192278 363210319 /nfs/dbraw/zinc/21/03/19/363210319.db2.gz RUHGTFRZZMLBML-SFYZADRCSA-N 1 2 245.779 2.812 10 0 BFAELO C[C@@H]1CCC[N@@H+](Cc2nnc(Cl)s2)[C@H]1C ZINC000252192278 363210320 /nfs/dbraw/zinc/21/03/20/363210320.db2.gz RUHGTFRZZMLBML-SFYZADRCSA-N 1 2 245.779 2.812 10 0 BFAELO CC[C@@H]1C[C@@H]1Nc1cc(N)cc(Cl)[nH+]1 ZINC000229540649 353474577 /nfs/dbraw/zinc/47/45/77/353474577.db2.gz UCIRJNYSOZIHCT-SVRRBLITSA-N 1 2 211.696 2.528 10 0 BFAELO CCS[C@@H]1CC[C@@H](Nc2cc(C)[nH+]cn2)C1 ZINC000230922206 353548465 /nfs/dbraw/zinc/54/84/65/353548465.db2.gz AMTDISCETREWRT-GHMZBOCLSA-N 1 2 237.372 2.871 10 0 BFAELO Cc1cnc([C@@H](C)[NH2+]Cc2cnc(C)s2)o1 ZINC000230642916 357543196 /nfs/dbraw/zinc/54/31/96/357543196.db2.gz ZURSBSUOUIQSSV-MRVPVSSYSA-N 1 2 237.328 2.599 10 0 BFAELO CCc1ccc(C[NH2+][C@H](C)c2ncc(C)o2)o1 ZINC000231526699 357609511 /nfs/dbraw/zinc/60/95/11/357609511.db2.gz KPXRWUSIWWQSNM-SNVBAGLBSA-N 1 2 234.299 2.989 10 0 BFAELO Oc1ccc[n+](C[C@H]2CCC3(CCCCC3)O2)c1 ZINC000191698993 357800476 /nfs/dbraw/zinc/80/04/76/357800476.db2.gz LGYZEKMNNWWIBK-CQSZACIVSA-O 1 2 248.346 2.562 10 0 BFAELO CC(C)(CNc1cccc[nH+]1)OCC(F)(F)F ZINC000584628371 358298175 /nfs/dbraw/zinc/29/81/75/358298175.db2.gz LGUHMNJZLALBTI-UHFFFAOYSA-N 1 2 248.248 2.851 10 0 BFAELO OCc1cc(OC2CCC3(CC3)CC2)cc[nH+]1 ZINC000584629109 358298306 /nfs/dbraw/zinc/29/83/06/358298306.db2.gz CGALVHAKRACOLG-UHFFFAOYSA-N 1 2 233.311 2.676 10 0 BFAELO [NH3+][C@@H]1c2c(cc(F)cc2Cl)CC1(F)F ZINC000584618316 358284399 /nfs/dbraw/zinc/28/43/99/358284399.db2.gz UZTAGGSJYLOKOF-MRVPVSSYSA-N 1 2 221.609 2.670 10 0 BFAELO Cc1ccc2c(c1)OCC[C@H]2c1c[nH]c[nH+]1 ZINC000043168723 358368572 /nfs/dbraw/zinc/36/85/72/358368572.db2.gz NHNAHEJKBTZBMH-SNVBAGLBSA-N 1 2 214.268 2.633 10 0 BFAELO C[C@@H]1CS[C@@H](c2cccc(O)c2Cl)[NH2+]1 ZINC000306179552 358992195 /nfs/dbraw/zinc/99/21/95/358992195.db2.gz IMAYVVVEFBKQLW-LDWIPMOCSA-N 1 2 229.732 2.769 10 0 BFAELO Cc1[nH]ncc1C[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000093335444 360232380 /nfs/dbraw/zinc/23/23/80/360232380.db2.gz IQKMJAWHDQRNKL-GFCCVEGCSA-N 1 2 231.299 2.648 10 0 BFAELO Cc1[nH]ncc1C[N@H+]1CCC[C@@H]1c1ccco1 ZINC000093335444 360232382 /nfs/dbraw/zinc/23/23/82/360232382.db2.gz IQKMJAWHDQRNKL-GFCCVEGCSA-N 1 2 231.299 2.648 10 0 BFAELO Cc1ccc(F)c(C[NH+]2[C@H](C)COC[C@H]2C)c1 ZINC000093606631 360262281 /nfs/dbraw/zinc/26/22/81/360262281.db2.gz RZFBAGISJCTXSB-VXGBXAGGSA-N 1 2 237.318 2.743 10 0 BFAELO NC(=S)c1cc(Nc2cccc(F)c2)cc[nH+]1 ZINC000061812138 181320486 /nfs/dbraw/zinc/32/04/86/181320486.db2.gz BGDJCUQPEFQTLN-UHFFFAOYSA-N 1 2 247.298 2.599 10 0 BFAELO CCOC(=O)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1 ZINC000725271316 541339445 /nfs/dbraw/zinc/33/94/45/541339445.db2.gz CBDATELJFZIBTB-TXEJJXNPSA-N 1 2 248.326 2.615 10 0 BFAELO Cc1cc(N[C@H]2C[C@H]2C)nc(-c2ccncc2)[nH+]1 ZINC000068909516 370859059 /nfs/dbraw/zinc/85/90/59/370859059.db2.gz YNKXWGJLEILPEY-SKDRFNHKSA-N 1 2 240.310 2.667 10 0 BFAELO COc1cccc(Cl)c1[C@H]1[NH2+]CCS1 ZINC000162065836 371607941 /nfs/dbraw/zinc/60/79/41/371607941.db2.gz LDVOBRGUXQTRKS-JTQLQIEISA-N 1 2 229.732 2.684 10 0 BFAELO CCc1cn2c(ccc(Br)c2C)[nH+]1 ZINC000228010097 371971951 /nfs/dbraw/zinc/97/19/51/371971951.db2.gz ZKRJICNPBPTSRL-UHFFFAOYSA-N 1 2 239.116 2.968 10 0 BFAELO COc1cc(NC(C)C)[nH+]cc1Br ZINC000306712503 372058558 /nfs/dbraw/zinc/05/85/58/372058558.db2.gz UKSLRVWOUQUYOB-UHFFFAOYSA-N 1 2 245.120 2.673 10 0 BFAELO O=C(Cn1cc[nH+]c1)c1ccc2c(c1)CCCC2 ZINC000041283722 182070401 /nfs/dbraw/zinc/07/04/01/182070401.db2.gz JSXHJZYXDPGZIB-UHFFFAOYSA-N 1 2 240.306 2.645 10 0 BFAELO OCc1c[nH]c(C2(c3ccccc3)CCCC2)[nH+]1 ZINC000062820523 183160860 /nfs/dbraw/zinc/16/08/60/183160860.db2.gz RMCYZMQOFDFWTO-UHFFFAOYSA-N 1 2 242.322 2.762 10 0 BFAELO O[C@@H]1CCC[C@H]1n1cc[nH+]c1-c1ccccc1 ZINC000042267957 183197977 /nfs/dbraw/zinc/19/79/77/183197977.db2.gz YTHJTUNXDDWCTA-CHWSQXEVSA-N 1 2 228.295 2.636 10 0 BFAELO O[C@@H]1CCC[C@@H]1n1cc[nH+]c1-c1ccccc1 ZINC000042267959 183195067 /nfs/dbraw/zinc/19/50/67/183195067.db2.gz YTHJTUNXDDWCTA-QWHCGFSZSA-N 1 2 228.295 2.636 10 0 BFAELO Oc1ccc(Cc2[nH]c3ccc(F)cc3[nH+]2)cc1 ZINC000037439992 183271953 /nfs/dbraw/zinc/27/19/53/183271953.db2.gz RWDFFAYFOPYDOV-UHFFFAOYSA-N 1 2 242.253 2.998 10 0 BFAELO Oc1ccc2c(c1)[nH+]cn2Cc1ccccc1 ZINC000082291803 183283493 /nfs/dbraw/zinc/28/34/93/183283493.db2.gz QFVAQLYOUXVJQI-UHFFFAOYSA-N 1 2 224.263 2.790 10 0 BFAELO c1c[nH]c(CNc2ccc[nH+]c2N2CCCC2)c1 ZINC000051788332 183327082 /nfs/dbraw/zinc/32/70/82/183327082.db2.gz NBJHXHJZEBCUHQ-UHFFFAOYSA-N 1 2 242.326 2.622 10 0 BFAELO CCCNc1nc([C@@H]2CCCOC2)[nH+]c(C)c1C ZINC000104307235 169296222 /nfs/dbraw/zinc/29/62/22/169296222.db2.gz SLRNUHBNINRDJF-GFCCVEGCSA-N 1 2 249.358 2.809 10 0 BFAELO CCCNc1nc2ccccc2n2c[nH+]cc12 ZINC000013441449 169297241 /nfs/dbraw/zinc/29/72/41/169297241.db2.gz QERIAGHYQDKKRK-UHFFFAOYSA-N 1 2 226.283 2.704 10 0 BFAELO C[NH2+][C@]1(C(F)(F)F)C[C@H](C)CC[C@@H]1C ZINC000227394512 383855481 /nfs/dbraw/zinc/85/54/81/383855481.db2.gz SVPNZXQYGVBSSW-HRDYMLBCSA-N 1 2 209.255 2.963 10 0 BFAELO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2cnccn2)o1 ZINC000070478252 384113080 /nfs/dbraw/zinc/11/30/80/384113080.db2.gz BEOGDLIRPJVJDN-GHMZBOCLSA-N 1 2 231.299 2.790 10 0 BFAELO c1csc(C[N@@H+]2CCCC[C@H]2c2cn[nH]c2)n1 ZINC000135191647 384422647 /nfs/dbraw/zinc/42/26/47/384422647.db2.gz ZARXLSDZEXIMBI-NSHDSACASA-N 1 2 248.355 2.593 10 0 BFAELO c1csc(C[N@H+]2CCCC[C@H]2c2cn[nH]c2)n1 ZINC000135191647 384422654 /nfs/dbraw/zinc/42/26/54/384422654.db2.gz ZARXLSDZEXIMBI-NSHDSACASA-N 1 2 248.355 2.593 10 0 BFAELO Cc1cc[nH+]cc1N[C@@H](C)[C@H]1CCCOC1 ZINC000335607331 384378070 /nfs/dbraw/zinc/37/80/70/384378070.db2.gz OOURUOHXAZHAFB-RYUDHWBXSA-N 1 2 220.316 2.617 10 0 BFAELO Nc1nc(-c2ccc(Cl)cc2)[nH+]c2c1CCC2 ZINC000050844591 384495107 /nfs/dbraw/zinc/49/51/07/384495107.db2.gz QBSQTIWOBDGSOG-UHFFFAOYSA-N 1 2 245.713 2.868 10 0 BFAELO Cc1nc(CNc2cccc[nH+]2)c(C)s1 ZINC000301831311 384929907 /nfs/dbraw/zinc/92/99/07/384929907.db2.gz IHCATOXPMTYBLH-UHFFFAOYSA-N 1 2 219.313 2.767 10 0 BFAELO c1csc([C@@H]2CCCCN2Cc2c[nH+]c[nH]2)n1 ZINC000179830316 385494898 /nfs/dbraw/zinc/49/48/98/385494898.db2.gz LQVDFOHUGBYBTR-NSHDSACASA-N 1 2 248.355 2.593 10 0 BFAELO c1csc([C@@H]2CCCCN2Cc2c[nH]c[nH+]2)n1 ZINC000179830316 385494901 /nfs/dbraw/zinc/49/49/01/385494901.db2.gz LQVDFOHUGBYBTR-NSHDSACASA-N 1 2 248.355 2.593 10 0 BFAELO CC[C@H]([NH2+]Cc1nnc(C)o1)c1ccccc1 ZINC000223626222 386089936 /nfs/dbraw/zinc/08/99/36/386089936.db2.gz OSVOHIYPVWOISC-LBPRGKRZSA-N 1 2 231.299 2.619 10 0 BFAELO CCCCCC[N@@H+]1CCCC[C@H]1c1nnc[nH]1 ZINC000121770517 386405543 /nfs/dbraw/zinc/40/55/43/386405543.db2.gz JDUBOBNMBKJKBS-LBPRGKRZSA-N 1 2 236.363 2.912 10 0 BFAELO CCCCCC[N@H+]1CCCC[C@H]1c1nnc[nH]1 ZINC000121770517 386405549 /nfs/dbraw/zinc/40/55/49/386405549.db2.gz JDUBOBNMBKJKBS-LBPRGKRZSA-N 1 2 236.363 2.912 10 0 BFAELO CCCCCC[N@@H+]1CCCC[C@H]1c1nc[nH]n1 ZINC000121770517 386405553 /nfs/dbraw/zinc/40/55/53/386405553.db2.gz JDUBOBNMBKJKBS-LBPRGKRZSA-N 1 2 236.363 2.912 10 0 BFAELO CCCCCC[N@H+]1CCCC[C@H]1c1nc[nH]n1 ZINC000121770517 386405556 /nfs/dbraw/zinc/40/55/56/386405556.db2.gz JDUBOBNMBKJKBS-LBPRGKRZSA-N 1 2 236.363 2.912 10 0 BFAELO C[C@@H]1CN2CCCC[C@H]2C[N@@H+]1CC1=CCCC1 ZINC000645804911 387948852 /nfs/dbraw/zinc/94/88/52/387948852.db2.gz CEJQHROGGWZGBP-HIFRSBDPSA-N 1 2 234.387 2.655 10 0 BFAELO C[C@@H]1CN2CCCC[C@H]2C[N@H+]1CC1=CCCC1 ZINC000645804911 387948855 /nfs/dbraw/zinc/94/88/55/387948855.db2.gz CEJQHROGGWZGBP-HIFRSBDPSA-N 1 2 234.387 2.655 10 0 BFAELO FC(F)[C@H](Cc1ccccc1)[NH2+]C1CC1 ZINC000271266629 389019550 /nfs/dbraw/zinc/01/95/50/389019550.db2.gz NQESDLRVDKPHLW-NSHDSACASA-N 1 2 211.255 2.615 10 0 BFAELO CCCC1CCN(c2[nH+]cccc2CO)CC1 ZINC000050905060 132359637 /nfs/dbraw/zinc/35/96/37/132359637.db2.gz FLLLLKFFBGYYLF-UHFFFAOYSA-N 1 2 234.343 2.590 10 0 BFAELO CCCO[C@H]1CCCN(c2ccc([NH3+])cc2C)C1 ZINC000058949912 132368620 /nfs/dbraw/zinc/36/86/20/132368620.db2.gz IDFLASKQZKWOER-AWEZNQCLSA-N 1 2 248.370 2.973 10 0 BFAELO CCCO[C@@H]1CCCN(c2ccc([NH3+])cc2C)C1 ZINC000058949909 132368662 /nfs/dbraw/zinc/36/86/62/132368662.db2.gz IDFLASKQZKWOER-CQSZACIVSA-N 1 2 248.370 2.973 10 0 BFAELO CC(C)=CC[N@H+]1C[C@H]2CCCCN2C[C@@H]1C ZINC000227361312 134378415 /nfs/dbraw/zinc/37/84/15/134378415.db2.gz VAKPKJCLEONZCB-UONOGXRCSA-N 1 2 222.376 2.511 10 0 BFAELO CC(C)=CC[N@@H+]1C[C@H]2CCCCN2C[C@@H]1C ZINC000227361312 134378416 /nfs/dbraw/zinc/37/84/16/134378416.db2.gz VAKPKJCLEONZCB-UONOGXRCSA-N 1 2 222.376 2.511 10 0 BFAELO Cc1cnc([C@@H](C)[NH2+]Cc2cccc(O)c2)o1 ZINC000227555547 134383427 /nfs/dbraw/zinc/38/34/27/134383427.db2.gz LXAQRRIMESFHGR-SNVBAGLBSA-N 1 2 232.283 2.539 10 0 BFAELO Cc1nnc([C@@H](C)[N@@H+]2CCC[C@H]2c2ccco2)o1 ZINC000247558956 134985649 /nfs/dbraw/zinc/98/56/49/134985649.db2.gz UMNXCOYUKHNBOZ-KOLCDFICSA-N 1 2 247.298 2.869 10 0 BFAELO Cc1nnc([C@@H](C)[N@H+]2CCC[C@H]2c2ccco2)o1 ZINC000247558956 134985651 /nfs/dbraw/zinc/98/56/51/134985651.db2.gz UMNXCOYUKHNBOZ-KOLCDFICSA-N 1 2 247.298 2.869 10 0 BFAELO CC(C)n1cc[nH+]c1CSC1CCOCC1 ZINC000178870679 397851215 /nfs/dbraw/zinc/85/12/15/397851215.db2.gz GMRMHKAOAAVORW-UHFFFAOYSA-N 1 2 240.372 2.876 10 0 BFAELO CC(C)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000037071743 167145640 /nfs/dbraw/zinc/14/56/40/167145640.db2.gz QTKRFOBXDAUFRX-UHFFFAOYSA-N 1 2 201.273 2.897 10 0 BFAELO CCc1cc(N[C@@H]2CCC[C@H]3C[C@H]32)nc[nH+]1 ZINC000393202571 410310172 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Cc1cc([NH+](C)C)ccc1N[C@H](C)c1cn[nH]c1 ZINC000284915180 178096745 /nfs/dbraw/zinc/09/67/45/178096745.db2.gz CWMCFMCMFOEIAA-LLVKDONJSA-N 1 2 244.342 2.957 10 0 BFAELO Cc1cc([N@H+](C)[C@@H]2CCSC2)ccc1N ZINC000035278247 178100063 /nfs/dbraw/zinc/10/00/63/178100063.db2.gz WWRFJMORXDXGGW-LLVKDONJSA-N 1 2 222.357 2.519 10 0 BFAELO Cc1cc([N@@H+](C)[C@@H]2CCSC2)ccc1N ZINC000035278247 178100065 /nfs/dbraw/zinc/10/00/65/178100065.db2.gz WWRFJMORXDXGGW-LLVKDONJSA-N 1 2 222.357 2.519 10 0 BFAELO Cc1cc([NH3+])ccc1N(C)Cc1ccccn1 ZINC000036777495 178105780 /nfs/dbraw/zinc/10/57/80/178105780.db2.gz RBZDALCGDSWPOW-UHFFFAOYSA-N 1 2 227.311 2.609 10 0 BFAELO Cc1cc(N)nc(Cc2ccccc2Cl)[nH+]1 ZINC000050845207 178109837 /nfs/dbraw/zinc/10/98/37/178109837.db2.gz TWGKFYKECPUIIL-UHFFFAOYSA-N 1 2 233.702 2.611 10 0 BFAELO Cc1cc(N2CC[C@@H]3CCCC[C@H]32)nc[nH+]1 ZINC000301250555 178117435 /nfs/dbraw/zinc/11/74/35/178117435.db2.gz RPUWUZZLIPPJPV-NWDGAFQWSA-N 1 2 217.316 2.554 10 0 BFAELO Cc1cc(NC(=O)N[C@H](C)C(C)C)cc[nH+]1 ZINC000119858258 178141713 /nfs/dbraw/zinc/14/17/13/178141713.db2.gz OGNVVIFJSIOSNU-SNVBAGLBSA-N 1 2 221.304 2.556 10 0 BFAELO Cc1cc2[nH+]cn([C@H]3CCCO3)c2cc1C ZINC000001648719 178305743 /nfs/dbraw/zinc/30/57/43/178305743.db2.gz FSRRNQVQTHCLOS-CYBMUJFWSA-N 1 2 216.284 2.962 10 0 BFAELO Cc1cc2[nH+]cn([C@@H](C)CC(N)=S)c2cc1C ZINC000048248875 178305308 /nfs/dbraw/zinc/30/53/08/178305308.db2.gz JAAXZXKIICPQTE-JTQLQIEISA-N 1 2 247.367 2.890 10 0 BFAELO Cc1cc2[nH+]cn(CCCC(N)=S)c2cc1C ZINC000019480750 178306142 /nfs/dbraw/zinc/30/61/42/178306142.db2.gz YIRSMVMDFNUKFF-UHFFFAOYSA-N 1 2 247.367 2.719 10 0 BFAELO Cc1ccc(-c2nc(C[NH+](C)C)cs2)o1 ZINC000040520634 178333991 /nfs/dbraw/zinc/33/39/91/178333991.db2.gz PNOQXMSVPZYTJF-UHFFFAOYSA-N 1 2 222.313 2.773 10 0 BFAELO Cc1ccc(-c2[nH+]c3cccc(C)n3c2N)o1 ZINC000104351751 178337399 /nfs/dbraw/zinc/33/73/99/178337399.db2.gz QNFMEOZYXGTLCT-UHFFFAOYSA-N 1 2 227.267 2.793 10 0 BFAELO CCC(CC)[N@H+](CCO)c1ccc(N)c(C)c1 ZINC000058971835 168374681 /nfs/dbraw/zinc/37/46/81/168374681.db2.gz BTBOPPJRHYSNAW-UHFFFAOYSA-N 1 2 236.359 2.565 10 0 BFAELO CCC(CC)[N@@H+](CCO)c1ccc(N)c(C)c1 ZINC000058971835 168374685 /nfs/dbraw/zinc/37/46/85/168374685.db2.gz BTBOPPJRHYSNAW-UHFFFAOYSA-N 1 2 236.359 2.565 10 0 BFAELO c1[nH]cc(C[C@H]2CCNc3ccccc32)[nH+]1 ZINC000138461567 342866521 /nfs/dbraw/zinc/86/65/21/342866521.db2.gz OPHKGCHPHQSQFQ-SNVBAGLBSA-N 1 2 213.284 2.552 10 0 BFAELO c1[nH]c(C[C@H]2CCNc3ccccc32)c[nH+]1 ZINC000138461567 342866523 /nfs/dbraw/zinc/86/65/23/342866523.db2.gz OPHKGCHPHQSQFQ-SNVBAGLBSA-N 1 2 213.284 2.552 10 0 BFAELO c1ccc2[nH+]c(N[C@@H]3CCCOC3)ccc2c1 ZINC000103955989 398323458 /nfs/dbraw/zinc/32/34/58/398323458.db2.gz NLGHAHANZMEBKE-GFCCVEGCSA-N 1 2 228.295 2.826 10 0 BFAELO Cc1noc(C[NH2+][C@@H](C)c2cccc(C)c2)n1 ZINC000038034123 343053192 /nfs/dbraw/zinc/05/31/92/343053192.db2.gz DEDDYGIZUHOLDI-JTQLQIEISA-N 1 2 231.299 2.537 10 0 BFAELO CC[C@@H](C)CNc1cc(N)cc(Cl)[nH+]1 ZINC000233834730 343072845 /nfs/dbraw/zinc/07/28/45/343072845.db2.gz YSQXHCPMHKZBKM-SSDOTTSWSA-N 1 2 213.712 2.775 10 0 BFAELO C[C@H]1CCn2cc(-c3cccnc3)[nH+]c2C1 ZINC000258526649 343127642 /nfs/dbraw/zinc/12/76/42/343127642.db2.gz SAFQOJSLVYHGSN-JTQLQIEISA-N 1 2 213.284 2.527 10 0 BFAELO C[C@H]([NH2+]c1ccc(N(C)C)cc1)C1CC1 ZINC000036335417 343316219 /nfs/dbraw/zinc/31/62/19/343316219.db2.gz OEFIXVXBYVWCCP-JTQLQIEISA-N 1 2 204.317 2.963 10 0 BFAELO C[C@H](Nc1ccc([NH+](C)C)cc1)C1CC1 ZINC000036335417 343316222 /nfs/dbraw/zinc/31/62/22/343316222.db2.gz OEFIXVXBYVWCCP-JTQLQIEISA-N 1 2 204.317 2.963 10 0 BFAELO Cc1cnc(CCNc2cccc[nH+]2)s1 ZINC000078373274 343368381 /nfs/dbraw/zinc/36/83/81/343368381.db2.gz MGAAAZZXSXNBNL-UHFFFAOYSA-N 1 2 219.313 2.501 10 0 BFAELO CCOC(=O)C1CCC(c2[nH+]cccc2N)CC1 ZINC000166372788 343523232 /nfs/dbraw/zinc/52/32/32/343523232.db2.gz MSXHIEYDNACVMC-UHFFFAOYSA-N 1 2 248.326 2.501 10 0 BFAELO CCN(CC)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000114056085 346948096 /nfs/dbraw/zinc/94/80/96/346948096.db2.gz JRBJXLCETJHABT-UHFFFAOYSA-N 1 2 215.300 2.923 10 0 BFAELO CC(C)c1c(N)[nH+]cnc1NCc1ccccc1 ZINC000128355971 346950272 /nfs/dbraw/zinc/95/02/72/346950272.db2.gz PLWBIWIPVCJRQJ-UHFFFAOYSA-N 1 2 242.326 2.794 10 0 BFAELO CC(C)c1c(N)nc[nH+]c1NCc1ccccc1 ZINC000128355971 346950274 /nfs/dbraw/zinc/95/02/74/346950274.db2.gz PLWBIWIPVCJRQJ-UHFFFAOYSA-N 1 2 242.326 2.794 10 0 BFAELO Fc1cccc([C@@H]2[NH2+]CCCC2(F)F)c1 ZINC000220218903 344109025 /nfs/dbraw/zinc/10/90/25/344109025.db2.gz AMIYDZJZZOQSKZ-JTQLQIEISA-N 1 2 215.218 2.886 10 0 BFAELO Fc1cnc(Cl)cc1-n1c[nH+]c(C2CC2)c1 ZINC000217941233 344420971 /nfs/dbraw/zinc/42/09/71/344420971.db2.gz ZFKBJOGBKMBMSS-UHFFFAOYSA-N 1 2 237.665 2.937 10 0 BFAELO C[C@@H]1CS[C@H](c2occc2Br)[NH2+]1 ZINC000235359537 344892247 /nfs/dbraw/zinc/89/22/47/344892247.db2.gz QFTYTYSKGANROC-SVGQVSJJSA-N 1 2 248.145 2.766 10 0 BFAELO Oc1ccc([NH2+]C[C@H]2CCSC2)cc1 ZINC000224370148 344904483 /nfs/dbraw/zinc/90/44/83/344904483.db2.gz JXGYSGINDRIAQX-SECBINFHSA-N 1 2 209.314 2.557 10 0 BFAELO C[C@@H](c1ccsc1)[N@@H+]1CCC(=O)[C@H](C)C1 ZINC000061363672 344921579 /nfs/dbraw/zinc/92/15/79/344921579.db2.gz DCIMXMHXAQCIGA-ZJUUUORDSA-N 1 2 223.341 2.720 10 0 BFAELO C[C@@H](c1ccsc1)[N@H+]1CCC(=O)[C@H](C)C1 ZINC000061363672 344921581 /nfs/dbraw/zinc/92/15/81/344921581.db2.gz DCIMXMHXAQCIGA-ZJUUUORDSA-N 1 2 223.341 2.720 10 0 BFAELO Cc1nc2[nH]ccc2c(N[C@H](C)C(C)C)[nH+]1 ZINC000080762963 345449970 /nfs/dbraw/zinc/44/99/70/345449970.db2.gz MQVVIQXFKCLQLR-MRVPVSSYSA-N 1 2 218.304 2.723 10 0 BFAELO OC[C@@H](Nc1cccc[nH+]1)c1ccc(Cl)cc1 ZINC000092960936 345649128 /nfs/dbraw/zinc/64/91/28/345649128.db2.gz VCHLYBXQWDLDDT-GFCCVEGCSA-N 1 2 248.713 2.881 10 0 BFAELO CN(C)C1=[NH+][C@H]2c3cccc4cccc(c34)[C@H]2O1 ZINC000033865109 345813331 /nfs/dbraw/zinc/81/33/31/345813331.db2.gz VGRSJZAGRKMMIT-UONOGXRCSA-N 1 2 238.290 2.883 10 0 BFAELO Cc1cc(-c2ccc(F)cc2)c(CO)c(C)[nH+]1 ZINC000033975752 345814127 /nfs/dbraw/zinc/81/41/27/345814127.db2.gz PHWSDHBMYWBYAL-UHFFFAOYSA-N 1 2 231.270 2.997 10 0 BFAELO C[C@@H]1CCCc2[nH+]c(-c3cccnc3)cn21 ZINC000258049354 345779845 /nfs/dbraw/zinc/77/98/45/345779845.db2.gz AHPJZQUDOSHQAZ-SNVBAGLBSA-N 1 2 213.284 2.842 10 0 BFAELO CCC[N@@H+]1CCc2nc(Cl)sc2C1 ZINC000061714209 345844965 /nfs/dbraw/zinc/84/49/65/345844965.db2.gz IGOQSRKCBRNXSM-UHFFFAOYSA-N 1 2 216.737 2.565 10 0 BFAELO CCC[N@H+]1CCc2nc(Cl)sc2C1 ZINC000061714209 345844968 /nfs/dbraw/zinc/84/49/68/345844968.db2.gz IGOQSRKCBRNXSM-UHFFFAOYSA-N 1 2 216.737 2.565 10 0 BFAELO Cc1cc(N2CCC[C@H]2CO)[nH+]c2ccccc12 ZINC000034522299 345831002 /nfs/dbraw/zinc/83/10/02/345831002.db2.gz LAOUVZIKRWHMOB-LBPRGKRZSA-N 1 2 242.322 2.504 10 0 BFAELO Fc1ccc([C@@H]2[NH2+]CCS2)c(Cl)c1 ZINC000236233071 346213181 /nfs/dbraw/zinc/21/31/81/346213181.db2.gz DBRJKICDOCYTFS-SECBINFHSA-N 1 2 217.696 2.814 10 0 BFAELO C[C@@H]1CC[C@H](C)[C@@H]([NH2+]CC(F)(F)F)C1 ZINC000221600583 346277782 /nfs/dbraw/zinc/27/77/82/346277782.db2.gz GFLRUDTXHURXJA-VGMNWLOBSA-N 1 2 209.255 2.963 10 0 BFAELO Cc1ccccc1CN(C)c1[nH+]cccc1CO ZINC000042436085 179272766 /nfs/dbraw/zinc/27/27/66/179272766.db2.gz FCWAGSXPOITKJG-UHFFFAOYSA-N 1 2 242.322 2.519 10 0 BFAELO Cc1nc(C[NH2+]Cc2ccccc2C)oc1C ZINC000037909445 179282771 /nfs/dbraw/zinc/28/27/71/179282771.db2.gz FVARKBFDINUDEE-UHFFFAOYSA-N 1 2 230.311 2.890 10 0 BFAELO Cc1nc([C@H](C)N[C@H](C)c2[nH]cc[nH+]2)cs1 ZINC000124801893 180051971 /nfs/dbraw/zinc/05/19/71/180051971.db2.gz VLSVPDOIYDOYKG-JGVFFNPUSA-N 1 2 236.344 2.586 10 0 BFAELO Cc1[nH+]c2ccccc2n1-c1ccc(CO)cc1 ZINC000040177256 180101285 /nfs/dbraw/zinc/10/12/85/180101285.db2.gz UJVVRZBGVJLQNP-UHFFFAOYSA-N 1 2 238.290 2.826 10 0 BFAELO Cc1[nH+]c2ccccc2n1-c1ccccc1N ZINC000006061886 180101699 /nfs/dbraw/zinc/10/16/99/180101699.db2.gz XKEMNDSPRYSFNK-UHFFFAOYSA-N 1 2 223.279 2.916 10 0 BFAELO Cc1[nH+]c2ccccc2n1CCCCC(N)=S ZINC000049582851 180103053 /nfs/dbraw/zinc/10/30/53/180103053.db2.gz SDSOIYHCZXWGMI-UHFFFAOYSA-N 1 2 247.367 2.801 10 0 BFAELO Cc1[nH+]c2ccccc2n1[C@@H]1CCCC[C@H]1O ZINC000037490616 180103209 /nfs/dbraw/zinc/10/32/09/180103209.db2.gz LRVBFAPDHDFBGX-ZIAGYGMSSA-N 1 2 230.311 2.821 10 0 BFAELO Cc1nc(N)c(-c2cccc(Cl)c2)c[nH+]1 ZINC000026465760 180121436 /nfs/dbraw/zinc/12/14/36/180121436.db2.gz DSTBBRUKWCJGSZ-UHFFFAOYSA-N 1 2 219.675 2.688 10 0 BFAELO Cc1[nH+]c[nH]c1CNc1cccc(F)c1C ZINC000054797294 180122532 /nfs/dbraw/zinc/12/25/32/180122532.db2.gz LFZVAHOCUQDUNQ-UHFFFAOYSA-N 1 2 219.263 2.778 10 0 BFAELO Cc1nn(C)cc1[C@H](C)Nc1ccc[nH+]c1C ZINC000091496110 180226423 /nfs/dbraw/zinc/22/64/23/180226423.db2.gz FIJDOKSZJWIOKW-VIFPVBQESA-N 1 2 230.315 2.605 10 0 BFAELO CC[C@H]1CN2CCCC[C@H]2C[N@@H+]1CC=C(C)C ZINC000300404393 490559242 /nfs/dbraw/zinc/55/92/42/490559242.db2.gz QYRAGFKDNQSMOC-GJZGRUSLSA-N 1 2 236.403 2.901 10 0 BFAELO CC[C@H]1CN2CCCC[C@H]2C[N@H+]1CC=C(C)C ZINC000300404393 490559244 /nfs/dbraw/zinc/55/92/44/490559244.db2.gz QYRAGFKDNQSMOC-GJZGRUSLSA-N 1 2 236.403 2.901 10 0 BFAELO CC1(CSc2ccc(N)[nH+]c2)CCC1 ZINC000306733982 350904062 /nfs/dbraw/zinc/90/40/62/350904062.db2.gz UDSDPSXORRMXSA-UHFFFAOYSA-N 1 2 208.330 2.946 10 0 BFAELO Cc1csc([C@@H]2[NH2+]C(C)(C)CS2)n1 ZINC000159623450 350955799 /nfs/dbraw/zinc/95/57/99/350955799.db2.gz HFDQOMKNBMBDPZ-MRVPVSSYSA-N 1 2 214.359 2.565 10 0 BFAELO Cc1ncc(C[NH2+][C@@H](C)c2csc(C)n2)o1 ZINC000398043671 362992024 /nfs/dbraw/zinc/99/20/24/362992024.db2.gz ASUPANYLWDEFAL-ZETCQYMHSA-N 1 2 237.328 2.599 10 0 BFAELO CC[N@@H+]1CCOC[C@@H]1c1cccc(Cl)c1 ZINC000616638508 351139745 /nfs/dbraw/zinc/13/97/45/351139745.db2.gz VUGLGGWVPXPSGN-GFCCVEGCSA-N 1 2 225.719 2.733 10 0 BFAELO CC[N@H+]1CCOC[C@@H]1c1cccc(Cl)c1 ZINC000616638508 351139748 /nfs/dbraw/zinc/13/97/48/351139748.db2.gz VUGLGGWVPXPSGN-GFCCVEGCSA-N 1 2 225.719 2.733 10 0 BFAELO CN1c2ccccc2CC[C@@H]1c1c[nH+]c[nH]1 ZINC000616667712 351224951 /nfs/dbraw/zinc/22/49/51/351224951.db2.gz OAKRSZNKWCULHQ-CYBMUJFWSA-N 1 2 213.284 2.533 10 0 BFAELO CN1c2ccccc2CC[C@@H]1c1c[nH]c[nH+]1 ZINC000616667712 351224954 /nfs/dbraw/zinc/22/49/54/351224954.db2.gz OAKRSZNKWCULHQ-CYBMUJFWSA-N 1 2 213.284 2.533 10 0 BFAELO CN1c2ccccc2CC[C@@H]1c1ccc[nH+]c1N ZINC000616667668 351224963 /nfs/dbraw/zinc/22/49/63/351224963.db2.gz BTULALZDXTWFST-CQSZACIVSA-N 1 2 239.322 2.788 10 0 BFAELO COC(=O)C[NH2+][C@@H]1CCC(C)(C)c2ccccc21 ZINC000034963750 351367239 /nfs/dbraw/zinc/36/72/39/351367239.db2.gz BTAKMOSKTFKEGR-CYBMUJFWSA-N 1 2 247.338 2.562 10 0 BFAELO Cc1cc([C@H]2[NH2+]CC[C@@H](C)S2)sn1 ZINC000404446718 351459211 /nfs/dbraw/zinc/45/92/11/351459211.db2.gz OBVRMUFSZFCANQ-APPZFPTMSA-N 1 2 214.359 2.565 10 0 BFAELO O=C1C[C@H](CC2CC2)[N@H+](Cc2ccccc2)C1 ZINC000725273151 538104337 /nfs/dbraw/zinc/10/43/37/538104337.db2.gz VNMLLRDPMHKBEB-AWEZNQCLSA-N 1 2 229.323 2.630 10 0 BFAELO O=C1C[C@H](CC2CC2)[N@@H+](Cc2ccccc2)C1 ZINC000725273151 538104338 /nfs/dbraw/zinc/10/43/38/538104338.db2.gz VNMLLRDPMHKBEB-AWEZNQCLSA-N 1 2 229.323 2.630 10 0 BFAELO c1ccc2[nH+]c(N3C[C@H]4CC=CC[C@@H]4C3)[nH]c2c1 ZINC000301893709 188059349 /nfs/dbraw/zinc/05/93/49/188059349.db2.gz SMBXRPHWZHZAMV-VXGBXAGGSA-N 1 2 239.322 2.965 10 0 BFAELO Nc1cccc2[nH+]c(-c3cccc(F)c3)[nH]c21 ZINC000036281901 188112704 /nfs/dbraw/zinc/11/27/04/188112704.db2.gz LTBVIKVNKZYYQI-UHFFFAOYSA-N 1 2 227.242 2.951 10 0 BFAELO CC(C)(C)c1c(N)c[nH+]cc1OC1CC1 ZINC000095719855 188146710 /nfs/dbraw/zinc/14/67/10/188146710.db2.gz FDZGQZXCUDAAHO-UHFFFAOYSA-N 1 2 206.289 2.503 10 0 BFAELO FCC[NH2+][C@H](c1ccco1)c1ccccc1 ZINC000304132043 180934183 /nfs/dbraw/zinc/93/41/83/180934183.db2.gz YWFKNKDEQFVHQC-ZDUSSCGKSA-N 1 2 219.259 2.928 10 0 BFAELO C[C@@H]1CS[C@@H](c2ncc(Cl)s2)[NH2+]1 ZINC000223219189 353364574 /nfs/dbraw/zinc/36/45/74/353364574.db2.gz NNBRRDRVVFMLLL-FBCQKBJTSA-N 1 2 220.750 2.520 10 0 BFAELO C[C@@H]1C[NH2+][C@H](c2ncc(Cl)s2)S1 ZINC000223219058 353364691 /nfs/dbraw/zinc/36/46/91/353364691.db2.gz DOINLINKZQWSDI-XINAWCOVSA-N 1 2 220.750 2.520 10 0 BFAELO NC(=[NH2+])c1c(O)cccc1/C=C\c1ccccc1 ZINC000098092226 181192017 /nfs/dbraw/zinc/19/20/17/181192017.db2.gz XGGRLDLYDMMXND-KTKRTIGZSA-N 1 2 238.290 2.847 10 0 BFAELO NC(=[NH2+])c1c(O)cccc1/C=C/c1ccccc1 ZINC000059214200 181192546 /nfs/dbraw/zinc/19/25/46/181192546.db2.gz XGGRLDLYDMMXND-MDZDMXLPSA-N 1 2 238.290 2.847 10 0 BFAELO FC(Br)=C1CC[NH+](C2CC2)CC1 ZINC000685947363 538889087 /nfs/dbraw/zinc/88/90/87/538889087.db2.gz JZIJVENIIHDQTP-UHFFFAOYSA-N 1 2 234.112 2.821 10 0 BFAELO Cc1ccccc1OCCCCC[NH+]1CC1 ZINC000584591761 358250335 /nfs/dbraw/zinc/25/03/35/358250335.db2.gz JDSDEZROROBYTQ-UHFFFAOYSA-N 1 2 219.328 2.860 10 0 BFAELO Cc1ccc(C)c(OCCCC[NH+]2CC2)c1 ZINC000584591802 358250595 /nfs/dbraw/zinc/25/05/95/358250595.db2.gz LWLDKLHEJGZGGO-UHFFFAOYSA-N 1 2 219.328 2.778 10 0 BFAELO CSC(=[NH2+])c1cc2ccccc2cn1 ZINC000584606515 358265795 /nfs/dbraw/zinc/26/57/95/358265795.db2.gz BYYPJFBOJICCGI-UHFFFAOYSA-N 1 2 202.282 2.923 10 0 BFAELO CCOc1cc2c(cc1OCC)C[C@@H](C)[NH+]=C2 ZINC000584606430 358266088 /nfs/dbraw/zinc/26/60/88/358266088.db2.gz PKOZWYZWWAAXER-SNVBAGLBSA-N 1 2 233.311 2.848 10 0 BFAELO CC(C)OC(C)(C)CNc1cccc[nH+]1 ZINC000584628387 358298062 /nfs/dbraw/zinc/29/80/62/358298062.db2.gz MLDPFJCAQPPSSG-UHFFFAOYSA-N 1 2 208.305 2.697 10 0 BFAELO FCCC[N@@H+]1CCC(Cl)=C(Cl)C1 ZINC000306480090 360121153 /nfs/dbraw/zinc/12/11/53/360121153.db2.gz MXCCVFRQCJQWQZ-UHFFFAOYSA-N 1 2 212.095 2.741 10 0 BFAELO FCCC[N@H+]1CCC(Cl)=C(Cl)C1 ZINC000306480090 360121159 /nfs/dbraw/zinc/12/11/59/360121159.db2.gz MXCCVFRQCJQWQZ-UHFFFAOYSA-N 1 2 212.095 2.741 10 0 BFAELO CCc1ccc([C@@H](C)[NH2+]Cc2noc(C)n2)cc1 ZINC000154927512 201299521 /nfs/dbraw/zinc/29/95/21/201299521.db2.gz VRNAKWANOAUCKN-SNVBAGLBSA-N 1 2 245.326 2.791 10 0 BFAELO Cc1nccc([C@@H](C)c2c[nH]c[nH+]2)c1C ZINC000068245899 370764243 /nfs/dbraw/zinc/76/42/43/370764243.db2.gz BXXFIFZBCTYMNJ-SECBINFHSA-N 1 2 201.273 2.573 10 0 BFAELO CCn1cc[nH+]c1C[S@](=O)CCCC(C)C ZINC000182309360 366884336 /nfs/dbraw/zinc/88/43/36/366884336.db2.gz MBVKMFJVWLKPHE-MRXNPFEDSA-N 1 2 242.388 2.588 10 0 BFAELO C[C@@H]([NH2+]Cc1cnc[nH]1)c1cc(F)ccc1F ZINC000054764191 541515317 /nfs/dbraw/zinc/51/53/17/541515317.db2.gz QYFAFHFPOAKKNL-MRVPVSSYSA-N 1 2 237.253 2.539 10 0 BFAELO FC(F)(F)Oc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000081201008 368336865 /nfs/dbraw/zinc/33/68/65/368336865.db2.gz UMCRGEQTUJYEEC-UHFFFAOYSA-N 1 2 228.173 2.975 10 0 BFAELO O[C@H](c1c[nH+]c2n1CCC2)c1ccc(Cl)cc1 ZINC000027526767 368677403 /nfs/dbraw/zinc/67/74/03/368677403.db2.gz BTLABYJXXMWYIE-ZDUSSCGKSA-N 1 2 248.713 2.564 10 0 BFAELO Brc1ccc2[nH+]c3c(n2c1)CCC3 ZINC000105736960 369065367 /nfs/dbraw/zinc/06/53/67/369065367.db2.gz HROIZUSVQHFNDC-UHFFFAOYSA-N 1 2 237.100 2.586 10 0 BFAELO [NH3+]N1CC[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000077360486 181509925 /nfs/dbraw/zinc/50/99/25/181509925.db2.gz JRWIDJZZQXGCTO-MRVPVSSYSA-N 1 2 231.126 2.656 10 0 BFAELO Cc1nc([C@H]2[NH2+]C(C)(C)CS2)cs1 ZINC000126800007 371551214 /nfs/dbraw/zinc/55/12/14/371551214.db2.gz OBFJSTMZHBJEQZ-QMMMGPOBSA-N 1 2 214.359 2.565 10 0 BFAELO c1ccn(-c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000008436734 372715350 /nfs/dbraw/zinc/71/53/50/372715350.db2.gz IXQFLHBZBFTLPB-UHFFFAOYSA-N 1 2 209.252 2.663 10 0 BFAELO O=C(Cc1[nH]cc[nH+]1)c1cc2c(s1)CCCC2 ZINC000035369702 182061415 /nfs/dbraw/zinc/06/14/15/182061415.db2.gz JGPLYPOZHRAJPF-UHFFFAOYSA-N 1 2 246.335 2.775 10 0 BFAELO CCn1cc[nH+]c1CNc1ccc(C(C)=O)cc1 ZINC000177093053 205605299 /nfs/dbraw/zinc/60/52/99/205605299.db2.gz WJCVMAVRVLDHBF-UHFFFAOYSA-N 1 2 243.310 2.718 10 0 BFAELO O[C@H](Cn1cc[nH+]c1)c1cccc2ccccc21 ZINC000027763459 183228718 /nfs/dbraw/zinc/22/87/18/183228718.db2.gz PGOHMHDRFAPIIL-OAHLLOKOSA-N 1 2 238.290 2.770 10 0 BFAELO c1nnc([C@H]2CCCC[N@H+]2Cc2ccccc2)[nH]1 ZINC000121631753 183397592 /nfs/dbraw/zinc/39/75/92/183397592.db2.gz AENMFSUADJPVLQ-CYBMUJFWSA-N 1 2 242.326 2.532 10 0 BFAELO c1nnc([C@H]2CCCC[N@@H+]2Cc2ccccc2)[nH]1 ZINC000121631753 183397594 /nfs/dbraw/zinc/39/75/94/183397594.db2.gz AENMFSUADJPVLQ-CYBMUJFWSA-N 1 2 242.326 2.532 10 0 BFAELO CCCOCc1cc2ccc(OC)cc2[nH+]c1N ZINC000050832926 169309446 /nfs/dbraw/zinc/30/94/46/169309446.db2.gz LBSICKUIGSKXQI-UHFFFAOYSA-N 1 2 246.310 2.752 10 0 BFAELO CCCNc1ccccc1-n1cc[nH+]c1 ZINC000036920420 169294621 /nfs/dbraw/zinc/29/46/21/169294621.db2.gz GROVRLTUXNUOBE-UHFFFAOYSA-N 1 2 201.273 2.694 10 0 BFAELO C[C@H]1C(=O)C[N@@H+](Cc2ccccc2)[C@H](C)[C@H]1C ZINC000068593111 384003015 /nfs/dbraw/zinc/00/30/15/384003015.db2.gz DVDWJFDLDUYNRK-YNEHKIRRSA-N 1 2 231.339 2.732 10 0 BFAELO C[C@H]1C(=O)C[N@H+](Cc2ccccc2)[C@H](C)[C@H]1C ZINC000068593111 384003024 /nfs/dbraw/zinc/00/30/24/384003024.db2.gz DVDWJFDLDUYNRK-YNEHKIRRSA-N 1 2 231.339 2.732 10 0 BFAELO C[C@H]([NH2+][C@@H]1CCOc2ccccc21)c1ncc[nH]1 ZINC000138977395 384148691 /nfs/dbraw/zinc/14/86/91/384148691.db2.gz RVUOGJUQIFSHRR-CMPLNLGQSA-N 1 2 243.310 2.584 10 0 BFAELO Cc1cc[nH+]cc1N[C@H]1CCCSC1 ZINC000070958550 384142663 /nfs/dbraw/zinc/14/26/63/384142663.db2.gz SGFRIFQIIFDQLU-JTQLQIEISA-N 1 2 208.330 2.698 10 0 BFAELO CC[C@@H](C)C[S@@](=O)Cc1[nH+]ccn1C(C)C ZINC000133730541 384311806 /nfs/dbraw/zinc/31/18/06/384311806.db2.gz ARIDMPOKBMJATJ-BZNIZROVSA-N 1 2 242.388 2.759 10 0 BFAELO Nc1cc(-c2c3cc[nH]c3ncc2Cl)cc[nH+]1 ZINC000095937780 384416742 /nfs/dbraw/zinc/41/67/42/384416742.db2.gz VXTDQHCLDQOBGK-UHFFFAOYSA-N 1 2 244.685 2.861 10 0 BFAELO Cc1ccc(N[C@H]2C[C@H]3CC[C@@H]2C3)c[nH+]1 ZINC000096033342 384425194 /nfs/dbraw/zinc/42/51/94/384425194.db2.gz WBKRLJOIYKZSCU-LOWVWBTDSA-N 1 2 202.301 2.991 10 0 BFAELO CCC[C@@H]1C[C@@H]1Nc1cc[nH+]c(C2CC2)n1 ZINC000301439555 384875456 /nfs/dbraw/zinc/87/54/56/384875456.db2.gz LVVZGEXCRUUMFB-MNOVXSKESA-N 1 2 217.316 2.955 10 0 BFAELO CCn1cc[nH+]c1CSCCOC(C)C ZINC000175296703 384890413 /nfs/dbraw/zinc/89/04/13/384890413.db2.gz CURKMJITLZMPKB-UHFFFAOYSA-N 1 2 228.361 2.561 10 0 BFAELO CC(C)n1cc[nH+]c1CS[C@@H]1CCO[C@@H]1C ZINC000163771980 384859634 /nfs/dbraw/zinc/85/96/34/384859634.db2.gz UFYVINDGJIBUFO-GHMZBOCLSA-N 1 2 240.372 2.875 10 0 BFAELO Cc1cc[nH+]cc1N[C@H](C)COC(C)C ZINC000308846395 385206373 /nfs/dbraw/zinc/20/63/73/385206373.db2.gz MLSFXEMIDYBDJY-LLVKDONJSA-N 1 2 208.305 2.615 10 0 BFAELO CC(C)[C@H](C)Nc1cc[nH+]c(C2CC2)n1 ZINC000110112507 385381348 /nfs/dbraw/zinc/38/13/48/385381348.db2.gz MMZLPPJQPWMRAN-VIFPVBQESA-N 1 2 205.305 2.810 10 0 BFAELO CC(C)(C)CNc1[nH]c(C(F)(F)F)c[nH+]1 ZINC000309078928 385399580 /nfs/dbraw/zinc/39/95/80/385399580.db2.gz NNMPKSYBSVPIJO-UHFFFAOYSA-N 1 2 221.226 2.887 10 0 BFAELO Cc1ccc([C@H](C)[NH2+]Cc2ncc(C)o2)o1 ZINC000182599273 385687126 /nfs/dbraw/zinc/68/71/26/385687126.db2.gz YTZCKCRDLFNSCP-JTQLQIEISA-N 1 2 220.272 2.735 10 0 BFAELO Cc1nc(N2CCC23CCCCC3)cc[nH+]1 ZINC000365472838 386111905 /nfs/dbraw/zinc/11/19/05/386111905.db2.gz OWBXBSGVPHTUHM-UHFFFAOYSA-N 1 2 217.316 2.698 10 0 BFAELO CC[C@H]1C[C@@H]1Nc1nc(C)[nH+]c2c1CCCC2 ZINC000302066596 386902344 /nfs/dbraw/zinc/90/23/44/386902344.db2.gz WHVKODBUHXPBTE-GWCFXTLKSA-N 1 2 231.343 2.874 10 0 BFAELO Cc1cc(C[N@@H+]2CCC[C@H]2c2ccco2)no1 ZINC000116288371 386931663 /nfs/dbraw/zinc/93/16/63/386931663.db2.gz KQNCWLVNMBXBRH-LBPRGKRZSA-N 1 2 232.283 2.913 10 0 BFAELO Cc1cc(C[N@H+]2CCC[C@H]2c2ccco2)no1 ZINC000116288371 386931666 /nfs/dbraw/zinc/93/16/66/386931666.db2.gz KQNCWLVNMBXBRH-LBPRGKRZSA-N 1 2 232.283 2.913 10 0 BFAELO C[C@H]([NH2+]Cc1ncc[nH]1)c1cc(F)ccc1F ZINC000049714902 387005449 /nfs/dbraw/zinc/00/54/49/387005449.db2.gz OIMZZICDGSLGGO-QMMMGPOBSA-N 1 2 237.253 2.539 10 0 BFAELO C[C@H](NCc1[nH]cc[nH+]1)c1cc(F)ccc1F ZINC000049714902 387005454 /nfs/dbraw/zinc/00/54/54/387005454.db2.gz OIMZZICDGSLGGO-QMMMGPOBSA-N 1 2 237.253 2.539 10 0 BFAELO c1nc([C@H]2CCCC[N@H+]2CC2CCCCC2)n[nH]1 ZINC000121640974 387389998 /nfs/dbraw/zinc/38/99/98/387389998.db2.gz FUBPTPQGUUMLRN-CYBMUJFWSA-N 1 2 248.374 2.912 10 0 BFAELO c1nc([C@H]2CCCC[N@@H+]2CC2CCCCC2)n[nH]1 ZINC000121640974 387390004 /nfs/dbraw/zinc/39/00/04/387390004.db2.gz FUBPTPQGUUMLRN-CYBMUJFWSA-N 1 2 248.374 2.912 10 0 BFAELO CC(C)c1nc([C@H]2CCC[N@@H+]2CCCF)no1 ZINC000125555840 387660975 /nfs/dbraw/zinc/66/09/75/387660975.db2.gz GMHJQGOZUMWLCL-SNVBAGLBSA-N 1 2 241.310 2.690 10 0 BFAELO CC(C)c1nc([C@H]2CCC[N@H+]2CCCF)no1 ZINC000125555840 387660979 /nfs/dbraw/zinc/66/09/79/387660979.db2.gz GMHJQGOZUMWLCL-SNVBAGLBSA-N 1 2 241.310 2.690 10 0 BFAELO C[C@]([NH3+])(c1ccc(Cl)s1)C(F)F ZINC000575572975 387751601 /nfs/dbraw/zinc/75/16/01/387751601.db2.gz VEEXZFDLRDVQDS-ZETCQYMHSA-N 1 2 211.664 2.841 10 0 BFAELO C[C@H]1CN2CCCC[C@@H]2C[N@@H+]1CC1=CCCC1 ZINC000645804910 387949117 /nfs/dbraw/zinc/94/91/17/387949117.db2.gz CEJQHROGGWZGBP-DZGCQCFKSA-N 1 2 234.387 2.655 10 0 BFAELO C[C@H]1CN2CCCC[C@@H]2C[N@H+]1CC1=CCCC1 ZINC000645804910 387949120 /nfs/dbraw/zinc/94/91/20/387949120.db2.gz CEJQHROGGWZGBP-DZGCQCFKSA-N 1 2 234.387 2.655 10 0 BFAELO FC(F)[C@@H](Cc1ccccc1)[NH2+]C1CC1 ZINC000271266626 389019193 /nfs/dbraw/zinc/01/91/93/389019193.db2.gz NQESDLRVDKPHLW-LLVKDONJSA-N 1 2 211.255 2.615 10 0 BFAELO Nc1ccc([NH+]2CCCCC2)c2cccnc12 ZINC000035340415 132338142 /nfs/dbraw/zinc/33/81/42/132338142.db2.gz OROSWPFBXXIKGL-UHFFFAOYSA-N 1 2 227.311 2.807 10 0 BFAELO Cc1ccc(N)cc1[NH+]1CCC(C)CC1 ZINC000053734383 132363655 /nfs/dbraw/zinc/36/36/55/132363655.db2.gz KUSITDZSDWMYDX-UHFFFAOYSA-N 1 2 204.317 2.814 10 0 BFAELO Cc1cnc([C@@H](C)[NH2+]Cc2cccs2)o1 ZINC000220884362 134316780 /nfs/dbraw/zinc/31/67/80/134316780.db2.gz FHURLDLWQJSCFN-SECBINFHSA-N 1 2 222.313 2.895 10 0 BFAELO CCCCC[N@@H+]1CCCC[C@@H]1c1nnc[nH]1 ZINC000182703393 134347992 /nfs/dbraw/zinc/34/79/92/134347992.db2.gz MFPIHPZRMHAGKB-LLVKDONJSA-N 1 2 222.336 2.522 10 0 BFAELO CCCCC[N@H+]1CCCC[C@@H]1c1nnc[nH]1 ZINC000182703393 134347993 /nfs/dbraw/zinc/34/79/93/134347993.db2.gz MFPIHPZRMHAGKB-LLVKDONJSA-N 1 2 222.336 2.522 10 0 BFAELO CCCCC[N@@H+]1CCCC[C@@H]1c1nc[nH]n1 ZINC000182703393 134347994 /nfs/dbraw/zinc/34/79/94/134347994.db2.gz MFPIHPZRMHAGKB-LLVKDONJSA-N 1 2 222.336 2.522 10 0 BFAELO CCCCC[N@H+]1CCCC[C@@H]1c1nc[nH]n1 ZINC000182703393 134347995 /nfs/dbraw/zinc/34/79/95/134347995.db2.gz MFPIHPZRMHAGKB-LLVKDONJSA-N 1 2 222.336 2.522 10 0 BFAELO CC(C)=CC[N@H+]1C[C@@H]2CCCCN2C[C@@H]1C ZINC000227361309 134378435 /nfs/dbraw/zinc/37/84/35/134378435.db2.gz VAKPKJCLEONZCB-KBPBESRZSA-N 1 2 222.376 2.511 10 0 BFAELO CC(C)=CC[N@@H+]1C[C@@H]2CCCCN2C[C@@H]1C ZINC000227361309 134378436 /nfs/dbraw/zinc/37/84/36/134378436.db2.gz VAKPKJCLEONZCB-KBPBESRZSA-N 1 2 222.376 2.511 10 0 BFAELO Cc1nc(C[NH2+][C@@H](C)c2cccc(C)c2)no1 ZINC000227349291 134378778 /nfs/dbraw/zinc/37/87/78/134378778.db2.gz XHJPZCLZYMUGTR-JTQLQIEISA-N 1 2 231.299 2.537 10 0 BFAELO C[C@H]1COC[C@H](C)[NH+]1Cc1ccccc1Cl ZINC000077366803 135063504 /nfs/dbraw/zinc/06/35/04/135063504.db2.gz VWYJUPKIUKPGLX-QWRGUYRKSA-N 1 2 239.746 2.949 10 0 BFAELO CC[C@H]([NH2+][C@H](C(=O)OC)c1ccccc1)C(C)C ZINC000050507319 322850225 /nfs/dbraw/zinc/85/02/25/322850225.db2.gz TZHLTAQDIHENRN-KBPBESRZSA-N 1 2 249.354 2.925 10 0 BFAELO C[C@@H]([NH2+]Cc1nnc(C2CC2)o1)c1cccs1 ZINC000680405278 487587928 /nfs/dbraw/zinc/58/79/28/487587928.db2.gz VVYSJFJBRSCLQK-MRVPVSSYSA-N 1 2 249.339 2.859 10 0 BFAELO CC(C)OCCn1cc[nH+]c1-c1ccc(N)cc1 ZINC000049259644 167252558 /nfs/dbraw/zinc/25/25/58/167252558.db2.gz IVWHPVWJSQHPJD-UHFFFAOYSA-N 1 2 245.326 2.557 10 0 BFAELO CC(C)[C@@H](C)Nc1cc[nH+]c(C2CC2)n1 ZINC000110112504 167388204 /nfs/dbraw/zinc/38/82/04/167388204.db2.gz MMZLPPJQPWMRAN-SECBINFHSA-N 1 2 205.305 2.810 10 0 BFAELO Cc1cc[nH+]cc1N[C@@H](C)[C@@H]1CCCCO1 ZINC000653465960 411285093 /nfs/dbraw/zinc/28/50/93/411285093.db2.gz TUFYNZLHXKDKOU-AAEUAGOBSA-N 1 2 220.316 2.760 10 0 BFAELO CC(C)N1c2ccccc2NC[C@H]1c1[nH]cc[nH+]1 ZINC000616687241 411415126 /nfs/dbraw/zinc/41/51/26/411415126.db2.gz ZIRXWQWQKUPLGP-ZDUSSCGKSA-N 1 2 242.326 2.791 10 0 BFAELO CC[NH2+][C@](CC)(C(=O)OC)c1ccc(CC)cc1 ZINC000037446618 170170569 /nfs/dbraw/zinc/17/05/69/170170569.db2.gz AOWOLADTFSDSGT-HNNXBMFYSA-N 1 2 249.354 2.637 10 0 BFAELO CCNc1[nH]c2ccc(Br)cc2[nH+]1 ZINC000082741746 170177523 /nfs/dbraw/zinc/17/75/23/170177523.db2.gz IHSFFNZFHDHOTF-UHFFFAOYSA-N 1 2 240.104 2.757 10 0 BFAELO CCNc1[nH]c2cc(Br)ccc2[nH+]1 ZINC000082741746 170177524 /nfs/dbraw/zinc/17/75/24/170177524.db2.gz IHSFFNZFHDHOTF-UHFFFAOYSA-N 1 2 240.104 2.757 10 0 BFAELO CCOC(=[NH2+])[C@@H](O)c1c(C)c(C)cc(C)c1C ZINC000211758979 170180272 /nfs/dbraw/zinc/18/02/72/170180272.db2.gz GWVJEBFQAGEFQC-ZDUSSCGKSA-N 1 2 235.327 2.967 10 0 BFAELO CCOC(=[NH2+])Cc1ccc(OCC)cc1 ZINC000034236289 170180349 /nfs/dbraw/zinc/18/03/49/170180349.db2.gz RXRSYZWKSCNPPI-UHFFFAOYSA-N 1 2 207.273 2.642 10 0 BFAELO CCOC(=O)C[NH2+][C@@H](c1ccc(C)cc1)C1CC1 ZINC000037395852 170226044 /nfs/dbraw/zinc/22/60/44/170226044.db2.gz LLBYFOOSEQOWEQ-HNNXBMFYSA-N 1 2 247.338 2.599 10 0 BFAELO CCOC(=O)[C@@H]([NH3+])c1cc(Cl)cc(Cl)c1 ZINC000037459936 170253944 /nfs/dbraw/zinc/25/39/44/170253944.db2.gz INFLZDRYQJJHJD-VIFPVBQESA-N 1 2 248.109 2.556 10 0 BFAELO CCOC(=O)[C@@H]([NH3+])c1ccc(Cl)cc1Cl ZINC000037459958 170254562 /nfs/dbraw/zinc/25/45/62/170254562.db2.gz WOGCPFPCVRSFBZ-VIFPVBQESA-N 1 2 248.109 2.556 10 0 BFAELO CCOC(=O)[C@@H]([NH2+]C(C)C)c1cc(C)ccc1C ZINC000049670776 170254861 /nfs/dbraw/zinc/25/48/61/170254861.db2.gz FHRSQKCPPDPOFA-AWEZNQCLSA-N 1 2 249.354 2.906 10 0 BFAELO CCOC(=O)[C@@H]([NH2+]CC(C)C)c1ccccc1C ZINC000037966261 170255318 /nfs/dbraw/zinc/25/53/18/170255318.db2.gz NVYZMSOCSFGSBU-AWEZNQCLSA-N 1 2 249.354 2.845 10 0 BFAELO CCOC(=O)[C@H]([NH2+]C(C)C)c1cc(C)ccc1C ZINC000049670775 170276248 /nfs/dbraw/zinc/27/62/48/170276248.db2.gz FHRSQKCPPDPOFA-CQSZACIVSA-N 1 2 249.354 2.906 10 0 BFAELO CCOC(=O)[C@H]([NH3+])c1ccc(Cl)cc1Cl ZINC000037459957 170276909 /nfs/dbraw/zinc/27/69/09/170276909.db2.gz WOGCPFPCVRSFBZ-SECBINFHSA-N 1 2 248.109 2.556 10 0 BFAELO CCOC(=O)[C@H]([NH2+]CC(C)C)c1ccccc1C ZINC000037966260 170277319 /nfs/dbraw/zinc/27/73/19/170277319.db2.gz NVYZMSOCSFGSBU-CQSZACIVSA-N 1 2 249.354 2.845 10 0 BFAELO CCOC(=O)[C@H]([NH2+][C@@H](C)CC)c1ccc(C)cc1 ZINC000038067643 170277608 /nfs/dbraw/zinc/27/76/08/170277608.db2.gz OOYLWAXOCPKGRI-GXTWGEPZSA-N 1 2 249.354 2.987 10 0 BFAELO CCOC(=O)[C@H]([NH2+]CC(C)C)c1ccc(C)cc1 ZINC000037966262 170277648 /nfs/dbraw/zinc/27/76/48/170277648.db2.gz VXOAATSMERFRBL-CQSZACIVSA-N 1 2 249.354 2.845 10 0 BFAELO CCOC(=O)[C@H]([NH2+]CC1CC1)c1cccc(C)c1 ZINC000037968184 170277691 /nfs/dbraw/zinc/27/76/91/170277691.db2.gz QQVQPAHHRQRVCN-CQSZACIVSA-N 1 2 247.338 2.599 10 0 BFAELO Cc1cc2ccccc2[nH+]c1NC1CC(CO)C1 ZINC000664646028 412005455 /nfs/dbraw/zinc/00/54/55/412005455.db2.gz USUNGFLUBFGAHI-UHFFFAOYSA-N 1 2 242.322 2.726 10 0 BFAELO CC[C@H](C)[NH2+][C@](C)(C(=O)OC)c1ccc(C)cc1 ZINC000038067057 171349057 /nfs/dbraw/zinc/34/90/57/171349057.db2.gz LMGSSGLTMVSMCM-WFASDCNBSA-N 1 2 249.354 2.771 10 0 BFAELO CCc1ccc([C@H](C)[NH2+]Cc2csnn2)cc1 ZINC000036958555 171839767 /nfs/dbraw/zinc/83/97/67/171839767.db2.gz LNWMKTUNJVYBMO-JTQLQIEISA-N 1 2 247.367 2.951 10 0 BFAELO CCc1[nH+]c2ccccc2n1C[C@@H]1CCCO1 ZINC000040390094 172013873 /nfs/dbraw/zinc/01/38/73/172013873.db2.gz ZRUYHIGKFBMQIL-NSHDSACASA-N 1 2 230.311 2.778 10 0 BFAELO CCc1[nH+]c2ccccc2n1[C@H]1CCC[C@@H]1O ZINC000060285895 172014435 /nfs/dbraw/zinc/01/44/35/172014435.db2.gz AJSQCWVRANPJEV-STQMWFEESA-N 1 2 230.311 2.685 10 0 BFAELO CCc1[nH+]cc(OC)c2c3cccc(O)c3[nH]c21 ZINC000015118733 172023319 /nfs/dbraw/zinc/02/33/19/172023319.db2.gz BKAUNKSTECWQGT-UHFFFAOYSA-N 1 2 242.278 2.993 10 0 BFAELO CN1CC[NH2+][C@H]1c1ccc(Cl)cc1Cl ZINC000022861901 173098555 /nfs/dbraw/zinc/09/85/55/173098555.db2.gz KXZNGVVLDAKMEL-SNVBAGLBSA-N 1 2 231.126 2.527 10 0 BFAELO C[N@@H+]1C[C@@H](c2cccc(O)c2)O[C@H]1C(C)(C)C ZINC000013901022 173187937 /nfs/dbraw/zinc/18/79/37/173187937.db2.gz ORIOFGXXYYXLNY-STQMWFEESA-N 1 2 235.327 2.768 10 0 in-man BFAELO C[N@H+]1C[C@@H](c2cccc(O)c2)O[C@H]1C(C)(C)C ZINC000013901022 173187941 /nfs/dbraw/zinc/18/79/41/173187941.db2.gz ORIOFGXXYYXLNY-STQMWFEESA-N 1 2 235.327 2.768 10 0 in-man BFAELO COc1c(C)c2sc(N)[nH+]c2c(C)c1C ZINC000034348494 174920867 /nfs/dbraw/zinc/92/08/67/174920867.db2.gz HUVORRPTACOVPT-UHFFFAOYSA-N 1 2 222.313 2.812 10 0 BFAELO COc1cccc(C)c1Nc1[nH+]cccc1N ZINC000038549204 175248061 /nfs/dbraw/zinc/24/80/61/175248061.db2.gz GRNQKHWYQDXSII-UHFFFAOYSA-N 1 2 229.283 2.724 10 0 BFAELO COc1cccc(Oc2cc[nH+]cc2N)c1C ZINC000082296740 175285252 /nfs/dbraw/zinc/28/52/52/175285252.db2.gz WEUBFCNFLDZGSZ-UHFFFAOYSA-N 1 2 230.267 2.773 10 0 BFAELO COc1cccc2c1CCC[C@@H]2c1c[nH]c[nH+]1 ZINC000003826265 175300853 /nfs/dbraw/zinc/30/08/53/175300853.db2.gz XVZVIENUEBLQBC-NSHDSACASA-N 1 2 228.295 2.887 10 0 BFAELO COc1c[nH+]cc(C(C)C)c1OC1CC1 ZINC000095731058 175384252 /nfs/dbraw/zinc/38/42/52/175384252.db2.gz DZXPEALCHCNYGK-UHFFFAOYSA-N 1 2 207.273 2.755 10 0 BFAELO C[C@@H](Oc1cc(N)cc[nH+]1)c1ccccc1 ZINC000043569506 176003841 /nfs/dbraw/zinc/00/38/41/176003841.db2.gz LFVJOOPEXGGBJU-SNVBAGLBSA-N 1 2 214.268 2.804 10 0 BFAELO C[C@@H](c1ccccc1F)[N@H+](C)[C@@H]1CCCC1=O ZINC000062015762 176024622 /nfs/dbraw/zinc/02/46/22/176024622.db2.gz PFVBNDSTZKARFJ-GXFFZTMASA-N 1 2 235.302 2.940 10 0 BFAELO C[C@@H](c1ccccc1F)[N@@H+](C)[C@@H]1CCCC1=O ZINC000062015762 176024624 /nfs/dbraw/zinc/02/46/24/176024624.db2.gz PFVBNDSTZKARFJ-GXFFZTMASA-N 1 2 235.302 2.940 10 0 BFAELO C[C@@H]1CCCC[C@H]1N(C)c1cc(CO)cc[nH+]1 ZINC000042609761 176086702 /nfs/dbraw/zinc/08/67/02/176086702.db2.gz PVLMHWAXDREUCO-DGCLKSJQSA-N 1 2 234.343 2.589 10 0 BFAELO C[C@@H]1CCCC[C@H]1Oc1cc[nH+]cc1N ZINC000020370761 176090349 /nfs/dbraw/zinc/09/03/49/176090349.db2.gz SMUPJAHDHDOTTI-MWLCHTKSSA-N 1 2 206.289 2.621 10 0 BFAELO C[C@@H]1CCCC[C@H]1OCc1ccc[nH+]c1N ZINC000052754802 176090563 /nfs/dbraw/zinc/09/05/63/176090563.db2.gz QAISFIDFOLIAGO-ZYHUDNBSSA-N 1 2 220.316 2.759 10 0 BFAELO C[C@@H]1CCC[N@@H+]1CC(=O)c1cc(F)ccc1F ZINC000037911546 176108476 /nfs/dbraw/zinc/10/84/76/176108476.db2.gz MNLHEVGFFDPLMF-SECBINFHSA-N 1 2 239.265 2.632 10 0 BFAELO C[C@@H]1CCC[N@H+]1CC(=O)c1cc(F)ccc1F ZINC000037911546 176108477 /nfs/dbraw/zinc/10/84/77/176108477.db2.gz MNLHEVGFFDPLMF-SECBINFHSA-N 1 2 239.265 2.632 10 0 BFAELO C[C@@H]1CCC[C@H](OCc2ccc[nH+]c2N)C1 ZINC000052755163 176146109 /nfs/dbraw/zinc/14/61/09/176146109.db2.gz UHQWWHQSUPFQQU-PWSUYJOCSA-N 1 2 220.316 2.759 10 0 BFAELO C[C@@H]1CCn2cc(-c3ccc(N)cc3)[nH+]c2C1 ZINC000049820876 176241379 /nfs/dbraw/zinc/24/13/79/176241379.db2.gz SKTLOHQNLNERNC-SNVBAGLBSA-N 1 2 227.311 2.715 10 0 BFAELO C[C@H](OCc1ccc[nH+]c1N)c1ccccc1 ZINC000052754835 177021503 /nfs/dbraw/zinc/02/15/03/177021503.db2.gz ITGWIWYHXNSQDW-NSHDSACASA-N 1 2 228.295 2.942 10 0 BFAELO C[C@H]1CCC[N@@H+](c2ccccc2C(N)=S)CC1 ZINC000104364722 177105276 /nfs/dbraw/zinc/10/52/76/177105276.db2.gz BCBQZIATFLXTTI-NSHDSACASA-N 1 2 248.395 2.947 10 0 BFAELO C[C@H]1CCC[N@H+](c2ccccc2C(N)=S)CC1 ZINC000104364722 177105277 /nfs/dbraw/zinc/10/52/77/177105277.db2.gz BCBQZIATFLXTTI-NSHDSACASA-N 1 2 248.395 2.947 10 0 BFAELO C[C@@H]1CCC[C@H](C)C1[NH2+]CC(F)(F)F ZINC000019807469 177114165 /nfs/dbraw/zinc/11/41/65/177114165.db2.gz AKUVLVWHWDWSNY-JVHMLUBASA-N 1 2 209.255 2.963 10 0 BFAELO C[C@H]1CCC[C@H](N(C)c2[nH+]cccc2CO)C1 ZINC000042494291 177135287 /nfs/dbraw/zinc/13/52/87/177135287.db2.gz MKWDOGMANHGIGU-AAEUAGOBSA-N 1 2 234.343 2.589 10 0 BFAELO C[C@H]1C[N@H+](Cc2cccc(Cl)n2)CCS1 ZINC000128354043 177265245 /nfs/dbraw/zinc/26/52/45/177265245.db2.gz GSJRGLOHGXUIID-VIFPVBQESA-N 1 2 242.775 2.672 10 0 BFAELO C[C@H]1C[N@@H+](Cc2cccc(Cl)n2)CCS1 ZINC000128354043 177265247 /nfs/dbraw/zinc/26/52/47/177265247.db2.gz GSJRGLOHGXUIID-VIFPVBQESA-N 1 2 242.775 2.672 10 0 BFAELO C[C@H]1COC[C@H](C)[NH+]1Cc1ccc(F)c(F)c1 ZINC000077368429 177300396 /nfs/dbraw/zinc/30/03/96/177300396.db2.gz ZISXVWCYPSOJCN-UWVGGRQHSA-N 1 2 241.281 2.574 10 0 BFAELO CCCn1nc(C)c(-c2ccc(N)[nH+]c2)c1C ZINC000104284913 487970961 /nfs/dbraw/zinc/97/09/61/487970961.db2.gz AGGRQAAPAJEWMN-UHFFFAOYSA-N 1 2 230.315 2.554 10 0 BFAELO CC[C@H]1CCC[C@]2(CC1)[NH2+]CC(F)(F)CO2 ZINC000757151279 582535519 /nfs/dbraw/zinc/53/55/19/582535519.db2.gz QGVKWVZWGARJPW-JQWIXIFHSA-N 1 2 233.302 2.928 10 0 BFAELO CCCC1(CCC)[NH2+]CC(F)(F)CO1 ZINC000757153718 582538542 /nfs/dbraw/zinc/53/85/42/582538542.db2.gz WZWJYRGMTSBBOX-UHFFFAOYSA-N 1 2 207.264 2.538 10 0 BFAELO CCn1cc[nH+]c1CNc1c(F)cccc1F ZINC000051921387 536111666 /nfs/dbraw/zinc/11/16/66/536111666.db2.gz BNSPVPUVKRQDJE-UHFFFAOYSA-N 1 2 237.253 2.793 10 0 BFAELO C[NH+](C)[C@@H](CO)c1c(Cl)cccc1Cl ZINC000095532634 522032490 /nfs/dbraw/zinc/03/24/90/522032490.db2.gz ZNBGRGASMLEDCN-VIFPVBQESA-N 1 2 234.126 2.588 10 0 BFAELO CC[C@@H]([NH2+][C@@H](C)c1ccc(C)c(C)c1)C(=O)OC ZINC000301728964 529200762 /nfs/dbraw/zinc/20/07/62/529200762.db2.gz SGRMPYURCXGKCJ-GXTWGEPZSA-N 1 2 249.354 2.906 10 0 BFAELO Cc1n[nH]cc1[C@@H](C)Nc1ccc(C)[nH+]c1 ZINC000134606849 566329004 /nfs/dbraw/zinc/32/90/04/566329004.db2.gz WBWLFTWJARDROE-SECBINFHSA-N 1 2 216.288 2.595 10 0 BFAELO FC1(F)C[NH2+]C2(CCCCCCC2)OC1 ZINC000757146737 582529791 /nfs/dbraw/zinc/52/97/91/582529791.db2.gz LFKGOLUJDLACKC-UHFFFAOYSA-N 1 2 219.275 2.682 10 0 BFAELO C[C@@H]1C[C@H](C)Nc2[nH+]c3ccccc3n21 ZINC000235657190 582596882 /nfs/dbraw/zinc/59/68/82/582596882.db2.gz YYMPUGYNFQCYPV-DTWKUNHWSA-N 1 2 201.273 2.801 10 0 BFAELO CC(C)Nc1[nH+]c(C(C)C)nc2[nH]ccc21 ZINC000148670183 584030852 /nfs/dbraw/zinc/03/08/52/584030852.db2.gz FTBLVGQWEWDDBL-UHFFFAOYSA-N 1 2 218.304 2.902 10 0 BFAELO CCNc1[nH+]c(CC2CCC2)nc2[nH]ccc21 ZINC000757564239 586253834 /nfs/dbraw/zinc/25/38/34/586253834.db2.gz CSOIDPNJKSSUKZ-UHFFFAOYSA-N 1 2 230.315 2.684 10 0 BFAELO CCCc1nc2[nH]ccc2c(NC(C)C)[nH+]1 ZINC000757564816 586461060 /nfs/dbraw/zinc/46/10/60/586461060.db2.gz GCVYRALQQVTNFL-UHFFFAOYSA-N 1 2 218.304 2.731 10 0 BFAELO CCOc1cccc(-c2c[nH]c[nH+]2)c1F ZINC000757567391 586461572 /nfs/dbraw/zinc/46/15/72/586461572.db2.gz RJULPPNQJNDHTD-UHFFFAOYSA-N 1 2 206.220 2.615 10 0 BFAELO C[C@H]1CC[C@H]1[NH2+]c1ccc(N(C)C)cc1 ZINC000308775710 631642590 /nfs/dbraw/zinc/64/25/90/631642590.db2.gz CWLRMBIVEKXOQK-GXFFZTMASA-N 1 2 204.317 2.963 10 0 BFAELO C[C@H]1CC[C@H]1Nc1ccc([NH+](C)C)cc1 ZINC000308775710 631642591 /nfs/dbraw/zinc/64/25/91/631642591.db2.gz CWLRMBIVEKXOQK-GXFFZTMASA-N 1 2 204.317 2.963 10 0 BFAELO Nc1ccc(-n2cnc(-c3cccs3)c2)c[nH+]1 ZINC000065528659 631733886 /nfs/dbraw/zinc/73/38/86/631733886.db2.gz LCGCPHNGAQNGQO-UHFFFAOYSA-N 1 2 242.307 2.578 10 0 BFAELO Cl/C=C(/Cl)C[N@@H+]1C[C@@H]2CCC[C@H]21 ZINC000307724653 635994235 /nfs/dbraw/zinc/99/42/35/635994235.db2.gz YZXHFJCUPKREFW-VPTUDDBQSA-N 1 2 206.116 2.790 10 0 BFAELO Cl/C=C(/Cl)C[N@H+]1C[C@@H]2CCC[C@H]21 ZINC000307724653 635994237 /nfs/dbraw/zinc/99/42/37/635994237.db2.gz YZXHFJCUPKREFW-VPTUDDBQSA-N 1 2 206.116 2.790 10 0 BFAELO CC(C)Nc1nc(N(C)C)[nH+]c2ccccc21 ZINC000096205505 644802164 /nfs/dbraw/zinc/80/21/64/644802164.db2.gz INFQAJNBOHOQOB-UHFFFAOYSA-N 1 2 230.315 2.516 10 0 BFAELO Cc1cc([N@H+](C)[C@H]2CCSC2)ccc1N ZINC000035278250 178102671 /nfs/dbraw/zinc/10/26/71/178102671.db2.gz WWRFJMORXDXGGW-NSHDSACASA-N 1 2 222.357 2.519 10 0 BFAELO Cc1cc([N@@H+](C)[C@H]2CCSC2)ccc1N ZINC000035278250 178102674 /nfs/dbraw/zinc/10/26/74/178102674.db2.gz WWRFJMORXDXGGW-NSHDSACASA-N 1 2 222.357 2.519 10 0 BFAELO Cc1cc([NH3+])ccc1N[C@@H](CO)c1ccccc1 ZINC000063000894 178106771 /nfs/dbraw/zinc/10/67/71/178106771.db2.gz BRCSXAWDVVRNGZ-HNNXBMFYSA-N 1 2 242.322 2.723 10 0 BFAELO Cc1cc(N[C@H](C)c2ccco2)nc[nH+]1 ZINC000040727201 178187020 /nfs/dbraw/zinc/18/70/20/178187020.db2.gz VCWFDRLGSXJRPI-SECBINFHSA-N 1 2 203.245 2.551 10 0 BFAELO Cc1cc(Nc2cc(F)ccc2F)[nH+]cc1N ZINC000036251477 178191883 /nfs/dbraw/zinc/19/18/83/178191883.db2.gz SIVRSZKWUHCHIH-UHFFFAOYSA-N 1 2 235.237 2.994 10 0 BFAELO Cc1cc([C@H]([NH3+])c2noc(C3CC3)n2)c(C)s1 ZINC000049687986 178263070 /nfs/dbraw/zinc/26/30/70/178263070.db2.gz WNWHSUAEUMZUPZ-JTQLQIEISA-N 1 2 249.339 2.673 10 0 BFAELO Cc1cc2[nH+]cn([C@@H](C)C(N)=S)c2cc1C ZINC000043514779 178305434 /nfs/dbraw/zinc/30/54/34/178305434.db2.gz XEJNPKJANPPDCF-VIFPVBQESA-N 1 2 233.340 2.500 10 0 BFAELO Cc1cc2[nH+]cn(CCCCCO)c2cc1C ZINC000051020151 178304761 /nfs/dbraw/zinc/30/47/61/178304761.db2.gz OARSEXGMYQXMDL-UHFFFAOYSA-N 1 2 232.327 2.816 10 0 BFAELO Cc1ccc(-c2[nH+]c(C(C)C)n(N)c2N)cc1C ZINC000052840010 178333505 /nfs/dbraw/zinc/33/35/05/178333505.db2.gz FTAOEUFZRIKOFK-UHFFFAOYSA-N 1 2 244.342 2.586 10 0 BFAELO Cc1ccc(-c2[nH]c3c(cccc3N)[nH+]2)cn1 ZINC000104201925 178337123 /nfs/dbraw/zinc/33/71/23/178337123.db2.gz MCEUJGCEWUIKTE-UHFFFAOYSA-N 1 2 224.267 2.516 10 0 BFAELO Cc1c2[nH+]c(N)sc2c(C)c(O)c1C ZINC000000004029 342669302 /nfs/dbraw/zinc/66/93/02/342669302.db2.gz ZHVOWCPERPUZCF-UHFFFAOYSA-N 1 2 208.286 2.509 10 0 BFAELO CCC(CC)[C@@H](C)Nc1[nH+]cnc2c1cnn2C ZINC000104440840 168399915 /nfs/dbraw/zinc/39/99/15/168399915.db2.gz QHZNZMTVCWGBQR-SECBINFHSA-N 1 2 247.346 2.600 10 0 BFAELO Cc1ccc(NC(=O)N2C[C@@H]3CCC[C@@H]32)c(C)[nH+]1 ZINC000336310696 398329744 /nfs/dbraw/zinc/32/97/44/398329744.db2.gz MPSPXEALQJHDJM-AAEUAGOBSA-N 1 2 245.326 2.715 10 0 BFAELO Cc1cn(-c2ccc(N)cc2C(F)(F)F)c[nH+]1 ZINC000117551079 343003020 /nfs/dbraw/zinc/00/30/20/343003020.db2.gz QDRCHOTURIMJHZ-UHFFFAOYSA-N 1 2 241.216 2.782 10 0 BFAELO Clc1ccc(OCc2[nH]cc[nH+]2)cc1 ZINC000031560401 343220638 /nfs/dbraw/zinc/22/06/38/343220638.db2.gz HPGRVHAOHCWTRK-UHFFFAOYSA-N 1 2 208.648 2.642 10 0 BFAELO CCc1ccnc([C@H](C)c2c[nH]c[nH+]2)c1 ZINC000034027574 343263938 /nfs/dbraw/zinc/26/39/38/343263938.db2.gz SHCGPNXFLWRYMG-VIFPVBQESA-N 1 2 201.273 2.519 10 0 BFAELO Cc1ccc(-c2cc(N)nc(C)[nH+]2)cc1C ZINC000071518813 343304010 /nfs/dbraw/zinc/30/40/10/343304010.db2.gz BHEBROYPYNJVJH-UHFFFAOYSA-N 1 2 213.284 2.651 10 0 BFAELO Fc1cccc(Cl)c1[C@H]1[NH2+]CCS1 ZINC000050522820 343782082 /nfs/dbraw/zinc/78/20/82/343782082.db2.gz OTQBKYZCYLLRBZ-VIFPVBQESA-N 1 2 217.696 2.814 10 0 BFAELO CC(C)c1n[nH]c(-c2ccsc2)c1CC[NH3+] ZINC000409438769 343845326 /nfs/dbraw/zinc/84/53/26/343845326.db2.gz FUYSMBZCCXDFEG-UHFFFAOYSA-N 1 2 235.356 2.763 10 0 BFAELO COC(=[NH2+])CCc1c(C)[nH]nc1-c1ccoc1 ZINC000409438771 343845532 /nfs/dbraw/zinc/84/55/32/343845532.db2.gz FVQJXUOMTSABRH-UHFFFAOYSA-N 1 2 233.271 2.534 10 0 BFAELO [NH3+]CCc1c(-c2ccsc2)[nH]nc1C1CC1 ZINC000409439100 343846480 /nfs/dbraw/zinc/84/64/80/343846480.db2.gz GVKADOAFNULZFI-UHFFFAOYSA-N 1 2 233.340 2.517 10 0 BFAELO COC(=[NH2+])CCc1c(C)[nH]nc1C1CCCC1 ZINC000409439146 343846502 /nfs/dbraw/zinc/84/65/02/343846502.db2.gz HIEUFRZZROMRPH-UHFFFAOYSA-N 1 2 235.331 2.932 10 0 BFAELO COC(=[NH2+])CCc1c(C)n[nH]c1C1CCCC1 ZINC000409439146 343846505 /nfs/dbraw/zinc/84/65/05/343846505.db2.gz HIEUFRZZROMRPH-UHFFFAOYSA-N 1 2 235.331 2.932 10 0 BFAELO CCn1nc(-c2cccs2)cc1C(=[NH2+])OC ZINC000409443114 343865509 /nfs/dbraw/zinc/86/55/09/343865509.db2.gz HEWOIUXVGBFDMH-UHFFFAOYSA-N 1 2 235.312 2.603 10 0 BFAELO CC[C@@H](c1ccccc1)c1cc(N)nc(C)[nH+]1 ZINC000575622332 343869178 /nfs/dbraw/zinc/86/91/78/343869178.db2.gz RBQUBILZIRVJIJ-LBPRGKRZSA-N 1 2 227.311 2.739 10 0 BFAELO C[C@H]1C[NH2+][C@@H](c2occc2Br)S1 ZINC000235662864 344976974 /nfs/dbraw/zinc/97/69/74/344976974.db2.gz YJJJSHRXVKMJHM-YLWLKBPMSA-N 1 2 248.145 2.766 10 0 BFAELO Cc1cc[nH+]c(N[C@H]2C[C@@H]2C)c1Br ZINC000235581686 344947811 /nfs/dbraw/zinc/94/78/11/344947811.db2.gz FESXEGAUKCVSLH-YUMQZZPRSA-N 1 2 241.132 2.973 10 0 BFAELO [NH3+][C@H](c1c(F)cccc1Cl)C(F)F ZINC000238652199 345100362 /nfs/dbraw/zinc/10/03/62/345100362.db2.gz CELQJHOOVYMXRR-SSDOTTSWSA-N 1 2 209.598 2.744 10 0 BFAELO c1coc([C@H]2CCC[N@H+]2Cc2ccon2)c1 ZINC000158410663 345330899 /nfs/dbraw/zinc/33/08/99/345330899.db2.gz IXXKTOJCFXRXEX-LLVKDONJSA-N 1 2 218.256 2.605 10 0 BFAELO c1coc([C@H]2CCC[N@@H+]2Cc2ccon2)c1 ZINC000158410663 345330901 /nfs/dbraw/zinc/33/09/01/345330901.db2.gz IXXKTOJCFXRXEX-LLVKDONJSA-N 1 2 218.256 2.605 10 0 BFAELO Cc1ccc([C@H]([NH3+])c2c(F)cccc2F)o1 ZINC000043609977 178908581 /nfs/dbraw/zinc/90/85/81/178908581.db2.gz WHHBVXGNUQRRBM-LBPRGKRZSA-N 1 2 223.222 2.914 10 0 BFAELO Oc1ccc([C@@H]2CCCn3cc[nH+]c32)cc1 ZINC000034144210 345817818 /nfs/dbraw/zinc/81/78/18/345817818.db2.gz OVGSALPEYMNSMY-LBPRGKRZSA-N 1 2 214.268 2.514 10 0 BFAELO C[C@H]1CCn2cc(-c3ccncc3)[nH+]c2C1 ZINC000258307532 345783630 /nfs/dbraw/zinc/78/36/30/345783630.db2.gz JRJKCIUQKWHKOO-JTQLQIEISA-N 1 2 213.284 2.527 10 0 BFAELO Cc1ccc([C@@H]([NH3+])c2ccc(Cl)o2)o1 ZINC000235925543 345962182 /nfs/dbraw/zinc/96/21/82/345962182.db2.gz VUEFGUZHCNZRCF-SNVBAGLBSA-N 1 2 211.648 2.883 10 0 BFAELO Cc1cc([NH2+]C2CC2)c(Br)cc1N ZINC000235850845 345949175 /nfs/dbraw/zinc/94/91/75/345949175.db2.gz RTFGDZPKVQZKSO-UHFFFAOYSA-N 1 2 241.132 2.914 10 0 BFAELO CCOC(=O)[C@H](CC)[NH2+][C@H](C)c1cccc(C)c1 ZINC000160226603 346357527 /nfs/dbraw/zinc/35/75/27/346357527.db2.gz BKSLYLGREORZIX-OCCSQVGLSA-N 1 2 249.354 2.987 10 0 BFAELO Cc1cccc(NC(=O)Nc2cc[nH+]cc2N)c1 ZINC000062726016 179137658 /nfs/dbraw/zinc/13/76/58/179137658.db2.gz WZNDFEWSUGPWEH-UHFFFAOYSA-N 1 2 242.282 2.616 10 0 BFAELO CCC[NH+](CCC)Cc1nc(C=O)cs1 ZINC000616569804 347831136 /nfs/dbraw/zinc/83/11/36/347831136.db2.gz XRROKCAUDFHRHN-UHFFFAOYSA-N 1 2 226.345 2.578 10 0 BFAELO Fc1c(Br)cccc1-c1c[nH]c[nH+]1 ZINC000725244218 537995153 /nfs/dbraw/zinc/99/51/53/537995153.db2.gz KSHOZUBJEKZOQX-UHFFFAOYSA-N 1 2 241.063 2.978 10 0 BFAELO [NH3+][C@@H](c1cccs1)C(F)(F)C(F)(F)F ZINC000037034527 348018321 /nfs/dbraw/zinc/01/83/21/348018321.db2.gz RISBVBSENWEURM-YFKPBYRVSA-N 1 2 231.189 2.946 10 0 BFAELO COc1ncc(-c2c[nH+]cn2C(C)C)cc1C ZINC000725245079 537999685 /nfs/dbraw/zinc/99/96/85/537999685.db2.gz GARNEFRIQXPVOO-UHFFFAOYSA-N 1 2 231.299 2.843 10 0 BFAELO Cn1cc[nH+]c1CSCC[Si](C)(C)C ZINC000725245430 538000966 /nfs/dbraw/zinc/00/09/66/538000966.db2.gz IBRWFWYQIILCOE-UHFFFAOYSA-N 1 2 228.437 2.992 10 0 BFAELO Nc1cc(C2CCCC2)[nH+]c(C2CC2)n1 ZINC000107241479 348487870 /nfs/dbraw/zinc/48/78/70/348487870.db2.gz CQXAPCHPIKZNOC-UHFFFAOYSA-N 1 2 203.289 2.594 10 0 BFAELO Cc1nc([C@@H](C)[NH2+]Cc2conc2C)cs1 ZINC000339246006 180037939 /nfs/dbraw/zinc/03/79/39/180037939.db2.gz NCYSIKRXQRFZMX-MRVPVSSYSA-N 1 2 237.328 2.599 10 0 BFAELO Cc1nc([C@@H](C)[NH2+]Cc2ccccn2)cs1 ZINC000036914587 180038469 /nfs/dbraw/zinc/03/84/69/180038469.db2.gz HKAKDOVRBCTEAN-SECBINFHSA-N 1 2 233.340 2.697 10 0 BFAELO CCCn1cc[nH+]c1CNc1ccccc1OC ZINC000061877266 187440325 /nfs/dbraw/zinc/44/03/25/187440325.db2.gz POTWBABKJQBVLL-UHFFFAOYSA-N 1 2 245.326 2.914 10 0 BFAELO Cc1nc(N[C@H](C)c2ccccc2N)cc[nH+]1 ZINC000054937014 180206106 /nfs/dbraw/zinc/20/61/06/180206106.db2.gz BLRIMRZYNFXJBF-SECBINFHSA-N 1 2 228.299 2.540 10 0 BFAELO Cc1[nH+]cn(-c2ccc([C@H](C)O)cc2F)c1C ZINC000051927256 180285034 /nfs/dbraw/zinc/28/50/34/180285034.db2.gz DUYSIZCUHCSKBV-JTQLQIEISA-N 1 2 234.274 2.682 10 0 BFAELO c1[nH]cc(CCCCc2ccccc2)[nH+]1 ZINC000029405823 350368445 /nfs/dbraw/zinc/36/84/45/350368445.db2.gz BQTXNCXSCSNHGA-UHFFFAOYSA-N 1 2 200.285 2.975 10 0 in-vivo BFAELO c1[nH]c(CCCCc2ccccc2)c[nH+]1 ZINC000029405823 350368447 /nfs/dbraw/zinc/36/84/47/350368447.db2.gz BQTXNCXSCSNHGA-UHFFFAOYSA-N 1 2 200.285 2.975 10 0 in-vivo BFAELO CC(C)(C)N1CC[NH2+][C@@H](c2ccccc2F)C1 ZINC000616631881 351109833 /nfs/dbraw/zinc/10/98/33/351109833.db2.gz IAAPHCDHFBEXOF-CYBMUJFWSA-N 1 2 236.334 2.571 10 0 BFAELO CC[N@@H+]1CCOC[C@@H]1c1cc2ccccc2cn1 ZINC000616637275 351132303 /nfs/dbraw/zinc/13/23/03/351132303.db2.gz MEHAORBUPILRRN-OAHLLOKOSA-N 1 2 242.322 2.628 10 0 BFAELO CC[N@H+]1CCOC[C@@H]1c1cc2ccccc2cn1 ZINC000616637275 351132305 /nfs/dbraw/zinc/13/23/05/351132305.db2.gz MEHAORBUPILRRN-OAHLLOKOSA-N 1 2 242.322 2.628 10 0 BFAELO CN1c2ccccc2CC[C@H]1c1ccc[nH+]c1N ZINC000616668646 351227565 /nfs/dbraw/zinc/22/75/65/351227565.db2.gz BTULALZDXTWFST-AWEZNQCLSA-N 1 2 239.322 2.788 10 0 BFAELO COC(=O)C[NH2+][C@H]1CCC(C)(C)c2ccccc21 ZINC000034963748 351367561 /nfs/dbraw/zinc/36/75/61/351367561.db2.gz BTAKMOSKTFKEGR-ZDUSSCGKSA-N 1 2 247.338 2.562 10 0 BFAELO Cc1cc([C@@H]2CCCC(=O)C2)c[nH+]c1C ZINC000307170177 351544178 /nfs/dbraw/zinc/54/41/78/351544178.db2.gz KELAJWYPBLTNNL-LLVKDONJSA-N 1 2 203.285 2.925 10 0 BFAELO O=C1C[C@H](C2CCC2)[N@H+](Cc2ccccc2)C1 ZINC000725271652 538103481 /nfs/dbraw/zinc/10/34/81/538103481.db2.gz ABUOYHDIGUMXSA-OAHLLOKOSA-N 1 2 229.323 2.630 10 0 BFAELO O=C1C[C@H](C2CCC2)[N@@H+](Cc2ccccc2)C1 ZINC000725271652 538103484 /nfs/dbraw/zinc/10/34/84/538103484.db2.gz ABUOYHDIGUMXSA-OAHLLOKOSA-N 1 2 229.323 2.630 10 0 BFAELO CC(F)(F)C[NH2+][C@H]1CCc2ccsc21 ZINC000307447781 352603102 /nfs/dbraw/zinc/60/31/02/352603102.db2.gz JWNFAYGMARVNOH-QMMMGPOBSA-N 1 2 217.284 2.980 10 0 BFAELO C[C@H]1CCC[C@@H](OC(=O)[C@@H]([NH3+])c2ccccc2)C1 ZINC000135069587 188156404 /nfs/dbraw/zinc/15/64/04/188156404.db2.gz MWBHMEYKNXYWCN-YUTCNCBUSA-N 1 2 247.338 2.808 10 0 BFAELO C[C@H]1C[NH2+][C@H](c2ncc(Cl)s2)S1 ZINC000223219120 353364657 /nfs/dbraw/zinc/36/46/57/353364657.db2.gz DOINLINKZQWSDI-NJGYIYPDSA-N 1 2 220.750 2.520 10 0 BFAELO Cc1cnc([C@H](C)NCc2c[nH+]cn2C(C)C)o1 ZINC000231740697 357624270 /nfs/dbraw/zinc/62/42/70/357624270.db2.gz RQOLBQGTCHEFFR-NSHDSACASA-N 1 2 248.330 2.611 10 0 BFAELO Cc1nc(C[NH2+][C@H](C)c2cccc(C)c2)no1 ZINC000231771648 357628754 /nfs/dbraw/zinc/62/87/54/357628754.db2.gz XHJPZCLZYMUGTR-SNVBAGLBSA-N 1 2 231.299 2.537 10 0 BFAELO C[C@H]1CC(C)(C)C[C@H]1[NH2+]CC(F)(F)F ZINC000235574794 357879963 /nfs/dbraw/zinc/87/99/63/357879963.db2.gz CADNXUJMRWMRDG-JGVFFNPUSA-N 1 2 209.255 2.963 10 0 BFAELO Brc1ccc2c(n1)[nH]c1cc[nH+]cc12 ZINC000584590551 358248991 /nfs/dbraw/zinc/24/89/91/358248991.db2.gz FYFAESRRWBSTMD-UHFFFAOYSA-N 1 2 248.083 2.874 10 0 BFAELO COC1=CCc2c3cc[nH+]c(C)c3n(C)c2C1 ZINC000584638817 358324741 /nfs/dbraw/zinc/32/47/41/358324741.db2.gz KAUDEAYIEWUOOQ-UHFFFAOYSA-N 1 2 228.295 2.511 10 0 BFAELO Cc1cc(N(C)C)[nH+]c2c(C)cc(C=O)cc12 ZINC000584639847 358325719 /nfs/dbraw/zinc/32/57/19/358325719.db2.gz HRYYYHMVEWPRCI-UHFFFAOYSA-N 1 2 228.295 2.730 10 0 BFAELO Cc1[nH]ncc1C[N@@H+]1CCC[C@H]1c1ccco1 ZINC000093335445 360232663 /nfs/dbraw/zinc/23/26/63/360232663.db2.gz IQKMJAWHDQRNKL-LBPRGKRZSA-N 1 2 231.299 2.648 10 0 BFAELO Cc1[nH]ncc1C[N@H+]1CCC[C@H]1c1ccco1 ZINC000093335445 360232667 /nfs/dbraw/zinc/23/26/67/360232667.db2.gz IQKMJAWHDQRNKL-LBPRGKRZSA-N 1 2 231.299 2.648 10 0 BFAELO Cc1[nH+]ccc(OC(F)(F)F)c1CF ZINC000238491590 361128183 /nfs/dbraw/zinc/12/81/83/361128183.db2.gz AQJUMEIOMQRYGX-UHFFFAOYSA-N 1 2 209.142 2.758 10 0 BFAELO Cc1c[nH+]c(N)c(C(=O)CC(C)(C)C)c1 ZINC000069942927 361174296 /nfs/dbraw/zinc/17/42/96/361174296.db2.gz FWWBYKMMKLEESD-UHFFFAOYSA-N 1 2 206.289 2.591 10 0 BFAELO CCCc1[nH+]ccn1-c1nc(C)cs1 ZINC000069964952 361230076 /nfs/dbraw/zinc/23/00/76/361230076.db2.gz DVUKZYGBVCWMMU-UHFFFAOYSA-N 1 2 207.302 2.590 10 0 BFAELO c1ccn(-c2cc[nH+]c(-c3ccccn3)c2)c1 ZINC000136184090 368345364 /nfs/dbraw/zinc/34/53/64/368345364.db2.gz CFVCUTBPMWHETK-UHFFFAOYSA-N 1 2 221.263 2.934 10 0 BFAELO Cc1cccc2c1C(c1[nH]cc[nH+]1)=CCO2 ZINC000114549738 368943777 /nfs/dbraw/zinc/94/37/77/368943777.db2.gz KQXLIMDUAJBEMP-UHFFFAOYSA-N 1 2 212.252 2.542 10 0 BFAELO CCn1cc[nH+]c1CNc1c(C)cccc1F ZINC000164805118 203381975 /nfs/dbraw/zinc/38/19/75/203381975.db2.gz RADQFEJOQCSJCF-UHFFFAOYSA-N 1 2 233.290 2.963 10 0 BFAELO CSCC[NH2+][C@@H](Cc1ccccc1)C(F)F ZINC000309883467 370272398 /nfs/dbraw/zinc/27/23/98/370272398.db2.gz WUWKTCLZXOAQPK-NSHDSACASA-N 1 2 245.338 2.815 10 0 BFAELO Cc1ccc([C@H]2[NH2+]CC[C@H](C)S2)cn1 ZINC000162355143 371664842 /nfs/dbraw/zinc/66/48/42/371664842.db2.gz YECFWVJVLWCJRZ-ONGXEEELSA-N 1 2 208.330 2.504 10 0 BFAELO C[N@@H+]1CCc2c(Br)ccc(F)c2C1 ZINC000217584188 371981336 /nfs/dbraw/zinc/98/13/36/371981336.db2.gz ZQLFMBYJGSEAFX-UHFFFAOYSA-N 1 2 244.107 2.576 10 0 BFAELO C[N@H+]1CCc2c(Br)ccc(F)c2C1 ZINC000217584188 371981342 /nfs/dbraw/zinc/98/13/42/371981342.db2.gz ZQLFMBYJGSEAFX-UHFFFAOYSA-N 1 2 244.107 2.576 10 0 BFAELO Fc1ccc(Cl)cc1[C@@H]1[NH2+]CCS1 ZINC000163561927 372012502 /nfs/dbraw/zinc/01/25/02/372012502.db2.gz WQRBPHQVUUBZQW-SECBINFHSA-N 1 2 217.696 2.814 10 0 BFAELO Cc1ncc([C@@H]2[NH2+][C@@H](C)CCS2)s1 ZINC000307737516 372143950 /nfs/dbraw/zinc/14/39/50/372143950.db2.gz UZLLOTARSTWPHP-IMTBSYHQSA-N 1 2 214.359 2.565 10 0 BFAELO Oc1ccccc1Cc1[nH]c2ccccc2[nH+]1 ZINC000027849541 183304035 /nfs/dbraw/zinc/30/40/35/183304035.db2.gz OLNLWAVOTVONIX-UHFFFAOYSA-N 1 2 224.263 2.859 10 0 BFAELO CCCNc1cc(CC)[nH+]c([C@H]2CCCOC2)n1 ZINC000104305674 169293408 /nfs/dbraw/zinc/29/34/08/169293408.db2.gz WWIGNFHIHQEUIH-NSHDSACASA-N 1 2 249.358 2.755 10 0 BFAELO CCCNc1cc(CC)[nH+]c(C2CCOCC2)n1 ZINC000052177227 169293946 /nfs/dbraw/zinc/29/39/46/169293946.db2.gz CPYHWGJXLHJQKE-UHFFFAOYSA-N 1 2 249.358 2.755 10 0 BFAELO CCCNc1ccc2cc(N)ccc2[nH+]1 ZINC000035343244 169295142 /nfs/dbraw/zinc/29/51/42/169295142.db2.gz PGTUPUBRMLIHNU-UHFFFAOYSA-N 1 2 201.273 2.639 10 0 BFAELO CCCNc1nc([C@@H]2CCOC2)[nH+]c(C)c1CC ZINC000051691596 169295603 /nfs/dbraw/zinc/29/56/03/169295603.db2.gz VBAFHUAKXRBGNM-LLVKDONJSA-N 1 2 249.358 2.673 10 0 BFAELO CCCNc1nc[nH+]c(Nc2ccccc2)c1N ZINC000040707764 169296280 /nfs/dbraw/zinc/29/62/80/169296280.db2.gz KQEOVTSVOQDKLY-UHFFFAOYSA-N 1 2 243.314 2.624 10 0 BFAELO CCCNc1[nH+]cnc(Nc2ccccc2)c1N ZINC000040707764 169296283 /nfs/dbraw/zinc/29/62/83/169296283.db2.gz KQEOVTSVOQDKLY-UHFFFAOYSA-N 1 2 243.314 2.624 10 0 BFAELO CC(C)(C)OC(=O)C[NH2+]CCC1CCCCC1 ZINC000037741840 166641657 /nfs/dbraw/zinc/64/16/57/166641657.db2.gz UVOFDUGQQGGVRI-UHFFFAOYSA-N 1 2 241.375 2.888 10 0 BFAELO C/C=C\C1=[NH+]CCc2cc(OC)c(OC)cc21 ZINC000091366529 384123029 /nfs/dbraw/zinc/12/30/29/384123029.db2.gz OFYJNLHZVWYRCI-PLNGDYQASA-N 1 2 231.295 2.625 10 0 BFAELO CCOc1ccccc1[C@H](C)[NH2+]Cc1ncc[nH]1 ZINC000070939309 384141558 /nfs/dbraw/zinc/14/15/58/384141558.db2.gz FBRLGFRNHQPOTA-NSHDSACASA-N 1 2 245.326 2.659 10 0 BFAELO Cc1cc[nH+]cc1N[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC000070958596 384144227 /nfs/dbraw/zinc/14/42/27/384144227.db2.gz XTOCTZJDCAYSRT-QJPTWQEYSA-N 1 2 202.301 2.991 10 0 BFAELO CCn1cc[nH+]c1CSCC1CCC1 ZINC000175301024 384421628 /nfs/dbraw/zinc/42/16/28/384421628.db2.gz FLMJCRABGVVQLA-UHFFFAOYSA-N 1 2 210.346 2.936 10 0 BFAELO CNc1cc(C)[nH+]c(-c2ccsc2)n1 ZINC000050848567 384495077 /nfs/dbraw/zinc/49/50/77/384495077.db2.gz FSDWXIYILLQYLD-UHFFFAOYSA-N 1 2 205.286 2.555 10 0 BFAELO CCC[C@@H]1C[C@@H]1Nc1[nH+]cccc1OC ZINC000300390237 384619953 /nfs/dbraw/zinc/61/99/53/384619953.db2.gz TUZXDBJUNATQGN-ZJUUUORDSA-N 1 2 206.289 2.691 10 0 BFAELO CC1(C)[NH2+][C@H]1[C@H](O)c1ccc2ccccc2c1 ZINC000169316474 384671346 /nfs/dbraw/zinc/67/13/46/384671346.db2.gz CATNXLVQVNCSIK-KGLIPLIRSA-N 1 2 227.307 2.624 10 0 BFAELO CC(C)C=CNc1[nH+]cnc2[nH]ccc21 ZINC000100728808 384651868 /nfs/dbraw/zinc/65/18/68/384651868.db2.gz DACAIEZGHFKSSA-HWKANZROSA-N 1 2 202.261 2.540 10 0 BFAELO Cc1nc(N)cc(-c2ccc3cccnc3c2)[nH+]1 ZINC000124655353 384662384 /nfs/dbraw/zinc/66/23/84/384662384.db2.gz PCVSVNMIEKABLW-UHFFFAOYSA-N 1 2 236.278 2.582 10 0 BFAELO Nc1cn2cc(C(F)(F)F)cc(Cl)c2[nH+]1 ZINC000077254362 384702845 /nfs/dbraw/zinc/70/28/45/384702845.db2.gz DGSCGACFMVKHDN-UHFFFAOYSA-N 1 2 235.596 2.589 10 0 BFAELO CCn1cc[nH+]c1C[S@](=O)c1cccc(C)c1 ZINC000177293974 384945891 /nfs/dbraw/zinc/94/58/91/384945891.db2.gz DSPLAWYHQGIGDG-KRWDZBQOSA-N 1 2 248.351 2.519 10 0 BFAELO C[C@H]1OCC[C@@H]1Nc1cc(C(F)(F)F)cc[nH+]1 ZINC000150068329 384962548 /nfs/dbraw/zinc/96/25/48/384962548.db2.gz VWVXOQSHFFBFQO-APPZFPTMSA-N 1 2 246.232 2.690 10 0 BFAELO CCc1c(NCc2ccccc2)nc[nH+]c1NC ZINC000128358403 385352706 /nfs/dbraw/zinc/35/27/06/385352706.db2.gz JTLQGYLPTCFGQU-UHFFFAOYSA-N 1 2 242.326 2.693 10 0 BFAELO CCc1c(NC)nc[nH+]c1NCc1ccccc1 ZINC000128358403 385352710 /nfs/dbraw/zinc/35/27/10/385352710.db2.gz JTLQGYLPTCFGQU-UHFFFAOYSA-N 1 2 242.326 2.693 10 0 BFAELO C[C@@]([NH3+])(c1sccc1Cl)C(F)F ZINC000575572912 386156208 /nfs/dbraw/zinc/15/62/08/386156208.db2.gz UGSVZELCZFXZNG-SSDOTTSWSA-N 1 2 211.664 2.841 10 0 BFAELO c1cc(N2C[C@@H]3CC=CC[C@H]3C2)nc(C2CC2)[nH+]1 ZINC000301399525 386840429 /nfs/dbraw/zinc/84/04/29/386840429.db2.gz BEFGFPKLKKPMFY-STQMWFEESA-N 1 2 241.338 2.756 10 0 BFAELO Cc1nnc([C@H](C)[N@@H+]2CCC[C@@H]2c2ccco2)o1 ZINC000116287646 386931254 /nfs/dbraw/zinc/93/12/54/386931254.db2.gz UMNXCOYUKHNBOZ-GXSJLCMTSA-N 1 2 247.298 2.869 10 0 BFAELO Cc1nnc([C@H](C)[N@H+]2CCC[C@@H]2c2ccco2)o1 ZINC000116287646 386931259 /nfs/dbraw/zinc/93/12/59/386931259.db2.gz UMNXCOYUKHNBOZ-GXSJLCMTSA-N 1 2 247.298 2.869 10 0 BFAELO CCc1nnc(C[NH2+][C@H](C)c2cccs2)o1 ZINC000193216251 387181561 /nfs/dbraw/zinc/18/15/61/387181561.db2.gz NORCAWCVBDRQHD-MRVPVSSYSA-N 1 2 237.328 2.544 10 0 BFAELO CCc1nnc(C[NH2+][C@@H](C)c2cccs2)o1 ZINC000193216237 387182363 /nfs/dbraw/zinc/18/23/63/387182363.db2.gz NORCAWCVBDRQHD-QMMMGPOBSA-N 1 2 237.328 2.544 10 0 BFAELO CC(C)n1cc[nH+]c1CSc1ncccn1 ZINC000195516731 387923258 /nfs/dbraw/zinc/92/32/58/387923258.db2.gz FOFFELMDNADPGL-UHFFFAOYSA-N 1 2 234.328 2.546 10 0 BFAELO COC(=O)[C@H]([NH2+][C@H](C)[C@H]1C[C@@H]1C)c1ccccc1 ZINC000321067379 387943503 /nfs/dbraw/zinc/94/35/03/387943503.db2.gz NBBUUECKJRXCDO-UZGDPCLZSA-N 1 2 247.338 2.535 10 0 BFAELO COC(=O)[C@H]([NH2+][C@H](C)[C@@H]1C[C@H]1C)c1ccccc1 ZINC000321067376 387943728 /nfs/dbraw/zinc/94/37/28/387943728.db2.gz NBBUUECKJRXCDO-HBJVGIJOSA-N 1 2 247.338 2.535 10 0 BFAELO CCSCCNc1ccc([NH+](C)C)cc1 ZINC000164782631 388248508 /nfs/dbraw/zinc/24/85/08/388248508.db2.gz IBWNVZRHPUNGJZ-UHFFFAOYSA-N 1 2 224.373 2.918 10 0 BFAELO CCSCC[NH2+]c1ccc(N(C)C)cc1 ZINC000164782631 388248510 /nfs/dbraw/zinc/24/85/10/388248510.db2.gz IBWNVZRHPUNGJZ-UHFFFAOYSA-N 1 2 224.373 2.918 10 0 BFAELO Cc1cnc([C@@H](C)[NH2+]Cc2cccnc2C)o1 ZINC000336715257 388467772 /nfs/dbraw/zinc/46/77/72/388467772.db2.gz PLJJMHGHPRZQMD-LLVKDONJSA-N 1 2 231.299 2.537 10 0 BFAELO CCc1ccc(C[NH2+][C@@H](C)c2ncc(C)o2)nc1 ZINC000345117775 388510771 /nfs/dbraw/zinc/51/07/71/388510771.db2.gz KVHNIXCZFLAUNE-NSHDSACASA-N 1 2 245.326 2.791 10 0 BFAELO CCCC[N@@H+]1CCCc2c(N)cccc21 ZINC000037905815 132295603 /nfs/dbraw/zinc/29/56/03/132295603.db2.gz MDQGJIBKVOSMSS-UHFFFAOYSA-N 1 2 204.317 2.822 10 0 BFAELO CCCC[N@H+]1CCCc2c(N)cccc21 ZINC000037905815 132295604 /nfs/dbraw/zinc/29/56/04/132295604.db2.gz MDQGJIBKVOSMSS-UHFFFAOYSA-N 1 2 204.317 2.822 10 0 BFAELO CC[C@@H]1CO[C@H](C)CN1c1ccc([NH3+])cc1C ZINC000036131694 132339984 /nfs/dbraw/zinc/33/99/84/132339984.db2.gz AEAXDLSHJNDPJC-DGCLKSJQSA-N 1 2 234.343 2.581 10 0 BFAELO C[C@@H]1C[C@@H](C)C[NH+](c2cccc(N)c2)C1 ZINC000036720276 132342351 /nfs/dbraw/zinc/34/23/51/132342351.db2.gz QHHKGUVAZDDJMB-GHMZBOCLSA-N 1 2 204.317 2.751 10 0 BFAELO OCc1ccc[nH+]c1N1CCC[C@H]2CCCC[C@@H]21 ZINC000040878925 132348788 /nfs/dbraw/zinc/34/87/88/132348788.db2.gz BQNMODHCLMNZJG-OCCSQVGLSA-N 1 2 246.354 2.733 10 0 BFAELO Cc1cc([N@@H+]2C[C@H](C)C[C@H](C)C2)ccc1CO ZINC000050582558 132359295 /nfs/dbraw/zinc/35/92/95/132359295.db2.gz ISSAYUJTFGXPIB-TXEJJXNPSA-N 1 2 233.355 2.970 10 0 BFAELO Cc1cc([N@H+]2C[C@H](C)C[C@H](C)C2)ccc1CO ZINC000050582558 132359296 /nfs/dbraw/zinc/35/92/96/132359296.db2.gz ISSAYUJTFGXPIB-TXEJJXNPSA-N 1 2 233.355 2.970 10 0 BFAELO CC(C)(C)CC[N@@H+]1CCCC[C@H]1c1nc[nH]n1 ZINC000182694816 134346884 /nfs/dbraw/zinc/34/68/84/134346884.db2.gz ULDRGDUHBILJOM-NSHDSACASA-N 1 2 236.363 2.768 10 0 BFAELO CC(C)(C)CC[N@H+]1CCCC[C@H]1c1nc[nH]n1 ZINC000182694816 134346885 /nfs/dbraw/zinc/34/68/85/134346885.db2.gz ULDRGDUHBILJOM-NSHDSACASA-N 1 2 236.363 2.768 10 0 BFAELO CCn1cc[nH+]c1CSc1ccccc1O ZINC000054743875 134769759 /nfs/dbraw/zinc/76/97/59/134769759.db2.gz WEASCQNDBPBTNM-UHFFFAOYSA-N 1 2 234.324 2.901 10 0 BFAELO C[C@@H]1COC[C@H](C)[N@H+]1Cc1cccc(Cl)c1 ZINC000077368249 135062724 /nfs/dbraw/zinc/06/27/24/135062724.db2.gz ZBNLADPFKOQBGQ-PHIMTYICSA-N 1 2 239.746 2.949 10 0 BFAELO C[C@@H]1COC[C@H](C)[N@@H+]1Cc1cccc(Cl)c1 ZINC000077368249 135062725 /nfs/dbraw/zinc/06/27/25/135062725.db2.gz ZBNLADPFKOQBGQ-PHIMTYICSA-N 1 2 239.746 2.949 10 0 BFAELO Cc1cc[nH+]cc1N[C@H]1CS[C@H](C)C1 ZINC000086935986 487586894 /nfs/dbraw/zinc/58/68/94/487586894.db2.gz SAAXNXHGCXVINP-NXEZZACHSA-N 1 2 208.330 2.696 10 0 BFAELO CC(C)Oc1ccc([NH2+]C[C@H]2CCOC2)cc1 ZINC000034957213 167297968 /nfs/dbraw/zinc/29/79/68/167297968.db2.gz PFOGKJXQDOQUQV-GFCCVEGCSA-N 1 2 235.327 2.922 10 0 BFAELO CCC(C)(C)c1nc([C@@H]2CCCC[NH2+]2)no1 ZINC000054404352 168307139 /nfs/dbraw/zinc/30/71/39/168307139.db2.gz IHMRQZOUMXHXBS-VIFPVBQESA-N 1 2 223.320 2.572 10 0 BFAELO CC[NH2+][C@@](C)(C(=O)OC)c1ccc(C(C)C)cc1 ZINC000037446818 170155058 /nfs/dbraw/zinc/15/50/58/170155058.db2.gz MDQREEFYBCAVSK-OAHLLOKOSA-N 1 2 249.354 2.808 10 0 BFAELO CC[NH2+][C@@H](c1nnc(C2CC2)o1)c1ccccc1 ZINC000050618077 170165006 /nfs/dbraw/zinc/16/50/06/170165006.db2.gz RFOCWRPKUDDKMH-GFCCVEGCSA-N 1 2 243.310 2.646 10 0 BFAELO CCNc1nc[nH+]c(Nc2ccccc2C)c1N ZINC000040707363 170178405 /nfs/dbraw/zinc/17/84/05/170178405.db2.gz SHDBAZSQRXLKKZ-UHFFFAOYSA-N 1 2 243.314 2.543 10 0 BFAELO CCNc1[nH+]cnc(Nc2ccccc2C)c1N ZINC000040707363 170178406 /nfs/dbraw/zinc/17/84/06/170178406.db2.gz SHDBAZSQRXLKKZ-UHFFFAOYSA-N 1 2 243.314 2.543 10 0 BFAELO CCNc1nc[nH+]c(Nc2ccc(C)cc2)c1N ZINC000040707377 170178438 /nfs/dbraw/zinc/17/84/38/170178438.db2.gz QVALZKQSYZHECY-UHFFFAOYSA-N 1 2 243.314 2.543 10 0 BFAELO CCNc1[nH+]cnc(Nc2ccc(C)cc2)c1N ZINC000040707377 170178439 /nfs/dbraw/zinc/17/84/39/170178439.db2.gz QVALZKQSYZHECY-UHFFFAOYSA-N 1 2 243.314 2.543 10 0 BFAELO CCOC(=O)[C@@H]([NH3+])c1ccc(Cl)c(Cl)c1 ZINC000021984144 170254944 /nfs/dbraw/zinc/25/49/44/170254944.db2.gz SMWHWXQCKJOPEG-VIFPVBQESA-N 1 2 248.109 2.556 10 0 BFAELO CCOC(=O)[C@@H]([NH2+][C@H](C)CC)c1ccccc1C ZINC000038067636 170255385 /nfs/dbraw/zinc/25/53/85/170255385.db2.gz YVZHBVMJADUBGG-OCCSQVGLSA-N 1 2 249.354 2.987 10 0 BFAELO CCOc1[nH+]c2ccccc2c(N)c1C ZINC000039099124 170603712 /nfs/dbraw/zinc/60/37/12/170603712.db2.gz ROBNSRZJUXUZLY-UHFFFAOYSA-N 1 2 202.257 2.524 10 0 BFAELO CC[C@H](C)C[S@](=O)Cc1[nH+]ccn1C(C)C ZINC000133731163 171300147 /nfs/dbraw/zinc/30/01/47/171300147.db2.gz ARIDMPOKBMJATJ-MEDUHNTESA-N 1 2 242.388 2.759 10 0 BFAELO CCc1[nH+]c2cc(Cl)ccc2n1CCCO ZINC000040402293 172011222 /nfs/dbraw/zinc/01/12/22/172011222.db2.gz IEFAGJXJEZEQHU-UHFFFAOYSA-N 1 2 238.718 2.635 10 0 BFAELO CCc1nc(N)c(-c2cccc(C)c2)c[nH+]1 ZINC000061675356 172014757 /nfs/dbraw/zinc/01/47/57/172014757.db2.gz DOMWJYDAYCUOAV-UHFFFAOYSA-N 1 2 213.284 2.597 10 0 BFAELO CCn1cc[nH+]c1-c1ccc(OC)cc1 ZINC000039100752 172213235 /nfs/dbraw/zinc/21/32/35/172213235.db2.gz XGCXKHFPHGZFSR-UHFFFAOYSA-N 1 2 202.257 2.579 10 0 BFAELO C[N@@H+]1C[C@@H](c2cccc(O)c2)O[C@@H]1C(C)(C)C ZINC000003778687 173188111 /nfs/dbraw/zinc/18/81/11/173188111.db2.gz ORIOFGXXYYXLNY-QWHCGFSZSA-N 1 2 235.327 2.768 10 0 in-man BFAELO C[N@H+]1C[C@@H](c2cccc(O)c2)O[C@@H]1C(C)(C)C ZINC000003778687 173188114 /nfs/dbraw/zinc/18/81/14/173188114.db2.gz ORIOFGXXYYXLNY-QWHCGFSZSA-N 1 2 235.327 2.768 10 0 in-man BFAELO C[NH2+]Cc1nc(C)c(-c2ccc(Cl)cc2)[nH]1 ZINC000036877247 173395539 /nfs/dbraw/zinc/39/55/39/173395539.db2.gz KQCLIYDEXLVMQL-UHFFFAOYSA-N 1 2 235.718 2.758 10 0 BFAELO COC(=O)[C@H]([NH2+][C@@H](C)c1ccccc1C)C(C)C ZINC000069150280 173805395 /nfs/dbraw/zinc/80/53/95/173805395.db2.gz HEADOWPEQLOJKA-GXTWGEPZSA-N 1 2 249.354 2.843 10 0 BFAELO COc1ccc(C)cc1NCCCn1cc[nH+]c1 ZINC000049327735 175078348 /nfs/dbraw/zinc/07/83/48/175078348.db2.gz MUAOHYOIWBGCFO-UHFFFAOYSA-N 1 2 245.326 2.702 10 0 BFAELO COc1ccc([NH2+]CC(C)(C)C)cc1O ZINC000041051363 175150240 /nfs/dbraw/zinc/15/02/40/175150240.db2.gz ARQMKVSANDMZCB-UHFFFAOYSA-N 1 2 209.289 2.859 10 0 BFAELO COc1ccc(NCc2c[nH+]c[nH]2)cc1Cl ZINC000054762967 175151682 /nfs/dbraw/zinc/15/16/82/175151682.db2.gz XWSYDLCCPMDNSV-UHFFFAOYSA-N 1 2 237.690 2.684 10 0 BFAELO COc1ccc(NCc2c[nH]c[nH+]2)cc1Cl ZINC000054762967 175151683 /nfs/dbraw/zinc/15/16/83/175151683.db2.gz XWSYDLCCPMDNSV-UHFFFAOYSA-N 1 2 237.690 2.684 10 0 BFAELO COc1ccccc1Sc1ccc(N)[nH+]c1 ZINC000041030455 175343656 /nfs/dbraw/zinc/34/36/56/175343656.db2.gz DXXMXXPBNCLWLL-UHFFFAOYSA-N 1 2 232.308 2.824 10 0 BFAELO C[C@@H](c1[nH+]ccn1C1CC1)C(F)(F)F ZINC000075839812 176039058 /nfs/dbraw/zinc/03/90/58/176039058.db2.gz AFRIXRLQGKTXFR-LURJTMIESA-N 1 2 204.195 2.884 10 0 BFAELO C[C@@H]1CCCC[C@@H]1Nc1cc(C(N)=S)cc[nH+]1 ZINC000019805732 176081711 /nfs/dbraw/zinc/08/17/11/176081711.db2.gz FLKFTGPEINXHPJ-KOLCDFICSA-N 1 2 249.383 2.706 10 0 BFAELO C[C@@H]1Cc2cc(-c3cccc(N)[nH+]3)ccc2O1 ZINC000038069468 176450253 /nfs/dbraw/zinc/45/02/53/176450253.db2.gz IHWHAGMRMLAHFD-SECBINFHSA-N 1 2 226.279 2.654 10 0 BFAELO C[C@H](c1ccc(F)cc1)[NH+]1CCC(=O)CC1 ZINC000019728822 177034794 /nfs/dbraw/zinc/03/47/94/177034794.db2.gz JPLYVJGTOBCVEW-SNVBAGLBSA-N 1 2 221.275 2.552 10 0 BFAELO C[C@@H]1CCC(=O)[C@H](C)[N@@H+]1Cc1ccccc1 ZINC000068593081 177056256 /nfs/dbraw/zinc/05/62/56/177056256.db2.gz JUVFBCNKSXUBOK-NEPJUHHUSA-N 1 2 217.312 2.629 10 0 BFAELO C[C@@H]1CCC(=O)[C@H](C)[N@H+]1Cc1ccccc1 ZINC000068593081 177056258 /nfs/dbraw/zinc/05/62/58/177056258.db2.gz JUVFBCNKSXUBOK-NEPJUHHUSA-N 1 2 217.312 2.629 10 0 BFAELO C[C@H]1CCC[N@@H+]1CC(=O)c1ccc(F)c(F)c1 ZINC000037911657 177109792 /nfs/dbraw/zinc/10/97/92/177109792.db2.gz SZTQEWQZRHNNKN-VIFPVBQESA-N 1 2 239.265 2.632 10 0 BFAELO C[C@H]1CCC[N@H+]1CC(=O)c1ccc(F)c(F)c1 ZINC000037911657 177109793 /nfs/dbraw/zinc/10/97/93/177109793.db2.gz SZTQEWQZRHNNKN-VIFPVBQESA-N 1 2 239.265 2.632 10 0 BFAELO C[C@H]1CCC[C@H](OCc2ccc[nH+]c2N)C1 ZINC000052755164 177137957 /nfs/dbraw/zinc/13/79/57/177137957.db2.gz UHQWWHQSUPFQQU-JQWIXIFHSA-N 1 2 220.316 2.759 10 0 BFAELO C[C@H]1C[NH+]=C(Nc2ccc(F)c(F)c2)S1 ZINC000003103170 177281445 /nfs/dbraw/zinc/28/14/45/177281445.db2.gz NKGUQLCXDGRZOZ-LURJTMIESA-N 1 2 228.267 2.868 10 0 BFAELO C[C@@H]1COC[C@H](C)[N@H+]1Cc1ccc(Cl)cc1 ZINC000120930958 177298750 /nfs/dbraw/zinc/29/87/50/177298750.db2.gz CSBGGRCPKJMVDF-PHIMTYICSA-N 1 2 239.746 2.949 10 0 BFAELO C[C@@H]1COC[C@H](C)[N@@H+]1Cc1ccc(Cl)cc1 ZINC000120930958 177298751 /nfs/dbraw/zinc/29/87/51/177298751.db2.gz CSBGGRCPKJMVDF-PHIMTYICSA-N 1 2 239.746 2.949 10 0 BFAELO CC[C@@](C)(CNc1c[nH+]ccc1C)OC ZINC000319923317 488079955 /nfs/dbraw/zinc/07/99/55/488079955.db2.gz SBLMDVKWFQQOGY-LBPRGKRZSA-N 1 2 208.305 2.617 10 0 BFAELO Nc1ccc2c(cccc2OC(F)(F)F)[nH+]1 ZINC000521400484 487611148 /nfs/dbraw/zinc/61/11/48/487611148.db2.gz NQSLQBJUCSTZOF-UHFFFAOYSA-N 1 2 228.173 2.546 10 0 BFAELO CC[C@@H]1CN2CCCC[C@@H]2C[N@@H+]1CC=C(C)C ZINC000227599834 491064058 /nfs/dbraw/zinc/06/40/58/491064058.db2.gz QYRAGFKDNQSMOC-HUUCEWRRSA-N 1 2 236.403 2.901 10 0 BFAELO CC[C@@H]1CN2CCCC[C@@H]2C[N@H+]1CC=C(C)C ZINC000227599834 491064060 /nfs/dbraw/zinc/06/40/60/491064060.db2.gz QYRAGFKDNQSMOC-HUUCEWRRSA-N 1 2 236.403 2.901 10 0 BFAELO Nc1cc(C(F)(F)F)ccc1-c1[nH]cc[nH+]1 ZINC000309271593 566340137 /nfs/dbraw/zinc/34/01/37/566340137.db2.gz ZUQVPSIWVWQJAB-UHFFFAOYSA-N 1 2 227.189 2.678 10 0 BFAELO CCC[C@H](C)c1nc2[nH]ccc2c(NC)[nH+]1 ZINC000757563993 586461407 /nfs/dbraw/zinc/46/14/07/586461407.db2.gz AOBWMVGKYKWGBR-QMMMGPOBSA-N 1 2 218.304 2.855 10 0 BFAELO CNc1[nH+]c(CCC(C)C)nc2[nH]ccc21 ZINC000757568850 586462032 /nfs/dbraw/zinc/46/20/32/586462032.db2.gz ROCRXRINJUAMHP-UHFFFAOYSA-N 1 2 218.304 2.540 10 0 BFAELO CCNc1[nH+]c(C2CCCC2)nc2[nH]ccc21 ZINC000757570548 586462623 /nfs/dbraw/zinc/46/26/23/586462623.db2.gz XJLOEOFESDSVBA-UHFFFAOYSA-N 1 2 230.315 2.999 10 0 BFAELO O=Cc1ccc(-n2cc[nH+]c2C2CC2)cc1 ZINC000212443839 591405883 /nfs/dbraw/zinc/40/58/83/591405883.db2.gz PXSSSJBTJZWTQR-UHFFFAOYSA-N 1 2 212.252 2.562 10 0 BFAELO Cc1cc([NH+](C)C)ccc1N[C@H](C)c1cc[nH]n1 ZINC000037907270 178096870 /nfs/dbraw/zinc/09/68/70/178096870.db2.gz XXJIKSPKCPRXJU-LLVKDONJSA-N 1 2 244.342 2.957 10 0 BFAELO Cc1cc(N)ccc1[N@H+](C)[C@@H]1CCSC1 ZINC000037174386 178105177 /nfs/dbraw/zinc/10/51/77/178105177.db2.gz INPYEFINSKFIND-LLVKDONJSA-N 1 2 222.357 2.519 10 0 BFAELO Cc1cc(N)ccc1[N@@H+](C)[C@@H]1CCSC1 ZINC000037174386 178105180 /nfs/dbraw/zinc/10/51/80/178105180.db2.gz INPYEFINSKFIND-LLVKDONJSA-N 1 2 222.357 2.519 10 0 BFAELO Cc1cc([NH3+])ccc1NC[C@H]1CCCCO1 ZINC000042813540 178107557 /nfs/dbraw/zinc/10/75/57/178107557.db2.gz VMKZVDXWXZPEJJ-GFCCVEGCSA-N 1 2 220.316 2.558 10 0 BFAELO Cc1cc(N)ccc1[NH2+]C[C@H]1CCCCO1 ZINC000042813540 178107559 /nfs/dbraw/zinc/10/75/59/178107559.db2.gz VMKZVDXWXZPEJJ-GFCCVEGCSA-N 1 2 220.316 2.558 10 0 BFAELO Cc1cc(N)nc(Cc2ccc(Cl)cc2)[nH+]1 ZINC000050845026 178109830 /nfs/dbraw/zinc/10/98/30/178109830.db2.gz GZPOPBARYIQLTH-UHFFFAOYSA-N 1 2 233.702 2.611 10 0 BFAELO Cc1ccc(CC(=O)Nc2cc[nH+]c(C)c2)s1 ZINC000101630853 178133991 /nfs/dbraw/zinc/13/39/91/178133991.db2.gz DWXPEPQIJZEWHJ-UHFFFAOYSA-N 1 2 246.335 2.941 10 0 BFAELO Cc1cc(N[C@H](C)Cc2cccc(F)c2)nc[nH+]1 ZINC000301260254 178185397 /nfs/dbraw/zinc/18/53/97/178185397.db2.gz CTIJBUWPKXOQJF-LLVKDONJSA-N 1 2 245.301 2.967 10 0 BFAELO Cc1cc([NH2+][C@H](C)[C@@H]2CCCO2)ccc1N ZINC000035734589 178186601 /nfs/dbraw/zinc/18/66/01/178186601.db2.gz HIGLIDGLMHCJJM-MFKMUULPSA-N 1 2 220.316 2.557 10 0 BFAELO Cc1ccccc1N[C@H](C)c1[nH]cc[nH+]1 ZINC000286184286 538943143 /nfs/dbraw/zinc/94/31/43/538943143.db2.gz QMAQNFXJVJQSQE-SNVBAGLBSA-N 1 2 201.273 2.891 10 0 BFAELO Cc1cc2[nH+]cn([C@H](C)CC(N)=S)c2cc1C ZINC000048248878 178305626 /nfs/dbraw/zinc/30/56/26/178305626.db2.gz JAAXZXKIICPQTE-SNVBAGLBSA-N 1 2 247.367 2.890 10 0 BFAELO CC(F)(F)[C@H]([NH3+])c1ccccc1Cl ZINC000214681492 342770097 /nfs/dbraw/zinc/77/00/97/342770097.db2.gz QOZFGDJKPZKDAL-MRVPVSSYSA-N 1 2 205.635 2.995 10 0 BFAELO CC[NH2+]c1cc(C)c(N)cc1Br ZINC000233632389 342875700 /nfs/dbraw/zinc/87/57/00/342875700.db2.gz ZVZIOVWSWVBRMB-UHFFFAOYSA-N 1 2 229.121 2.772 10 0 BFAELO Cc1ccc(C)c(-c2nc(N)cc(C)[nH+]2)c1 ZINC000050866425 178461371 /nfs/dbraw/zinc/46/13/71/178461371.db2.gz VHIVQPFLYMQRFH-UHFFFAOYSA-N 1 2 213.284 2.651 10 0 BFAELO O=C1N[C@H](C2CCCCC2)[N@@H+]2CCCC[C@@H]12 ZINC000071967418 342952502 /nfs/dbraw/zinc/95/25/02/342952502.db2.gz YBMOVEVGQKOYQD-RYUDHWBXSA-N 1 2 222.332 2.717 10 0 BFAELO O=C1N[C@H](C2CCCCC2)[N@H+]2CCCC[C@@H]12 ZINC000071967418 342952503 /nfs/dbraw/zinc/95/25/03/342952503.db2.gz YBMOVEVGQKOYQD-RYUDHWBXSA-N 1 2 222.332 2.717 10 0 BFAELO O=C1N[C@@H](C2CCCCC2)[N@@H+]2CCCC[C@H]12 ZINC000071967415 342952507 /nfs/dbraw/zinc/95/25/07/342952507.db2.gz YBMOVEVGQKOYQD-VXGBXAGGSA-N 1 2 222.332 2.717 10 0 BFAELO O=C1N[C@@H](C2CCCCC2)[N@H+]2CCCC[C@H]12 ZINC000071967415 342952508 /nfs/dbraw/zinc/95/25/08/342952508.db2.gz YBMOVEVGQKOYQD-VXGBXAGGSA-N 1 2 222.332 2.717 10 0 BFAELO Cc1cc(-c2[nH+]cn3c4cc[nH]c4ncc23)ccn1 ZINC000117575056 343007576 /nfs/dbraw/zinc/00/75/76/343007576.db2.gz SAEHFKMCYIVTBQ-UHFFFAOYSA-N 1 2 249.277 2.581 10 0 BFAELO CNc1c(N)c[nH+]c2c(Cl)c(F)ccc12 ZINC000584882903 343085647 /nfs/dbraw/zinc/08/56/47/343085647.db2.gz ZFYZNKBLFGTXQB-UHFFFAOYSA-N 1 2 225.654 2.651 10 0 BFAELO CCn1cc[nH+]c1C[S@](=O)c1ccccc1C ZINC000177293692 259363184 /nfs/dbraw/zinc/36/31/84/259363184.db2.gz VFYHESXGJOAAQU-KRWDZBQOSA-N 1 2 248.351 2.519 10 0 BFAELO Cc1ccc(C[NH2+]Cc2nc3ccccc3[nH]2)o1 ZINC000048435693 343581395 /nfs/dbraw/zinc/58/13/95/343581395.db2.gz LIBDYORTUDXCQW-UHFFFAOYSA-N 1 2 241.294 2.754 10 0 BFAELO Cc1nc(-n2cc[nH+]c2)cc2ccccc12 ZINC000197448649 343649041 /nfs/dbraw/zinc/64/90/41/343649041.db2.gz AOLCHPZUQPUMCO-UHFFFAOYSA-N 1 2 209.252 2.729 10 0 BFAELO c1cn2[nH]c(C3CC3)c(-c3ccncc3)c2[nH+]1 ZINC000409440833 343856158 /nfs/dbraw/zinc/85/61/58/343856158.db2.gz ZVZRODYWXUCYKN-UHFFFAOYSA-N 1 2 224.267 2.602 10 0 BFAELO COC(=[NH2+])CCc1c(C)[nH]nc1C1CCC1 ZINC000409442237 343857782 /nfs/dbraw/zinc/85/77/82/343857782.db2.gz XYAVHMUMGLDYPM-UHFFFAOYSA-N 1 2 221.304 2.542 10 0 BFAELO COC(=[NH2+])CCc1c(C)n[nH]c1C1CCC1 ZINC000409442237 343857784 /nfs/dbraw/zinc/85/77/84/343857784.db2.gz XYAVHMUMGLDYPM-UHFFFAOYSA-N 1 2 221.304 2.542 10 0 BFAELO Cc1[nH]c([C@@H](C)NC(=O)OC(C)(C)C)[nH+]c1C ZINC000230369295 344545352 /nfs/dbraw/zinc/54/53/52/344545352.db2.gz HKPFQPYYMPFFGI-SECBINFHSA-N 1 2 239.319 2.612 10 0 BFAELO Cc1ccncc1[C@H]1[NH2+]CC[C@H](C)S1 ZINC000135523805 344742058 /nfs/dbraw/zinc/74/20/58/344742058.db2.gz NFAJLDCYXDGBLF-ONGXEEELSA-N 1 2 208.330 2.504 10 0 BFAELO Cc1cc[nH+]c(N[C@@H]2C[C@H]2C)c1Br ZINC000235288151 344871718 /nfs/dbraw/zinc/87/17/18/344871718.db2.gz FESXEGAUKCVSLH-HTQZYQBOSA-N 1 2 241.132 2.973 10 0 BFAELO [NH3+][C@@H](c1ccsc1)C(F)(F)C(F)(F)F ZINC000238638762 345099102 /nfs/dbraw/zinc/09/91/02/345099102.db2.gz IBNOINHWBIUDIJ-YFKPBYRVSA-N 1 2 231.189 2.946 10 0 BFAELO CN(C)C1=[NH+][C@@H]2c3cccc4cccc(c34)[C@H]2O1 ZINC000033865108 345813285 /nfs/dbraw/zinc/81/32/85/345813285.db2.gz VGRSJZAGRKMMIT-ZIAGYGMSSA-N 1 2 238.290 2.883 10 0 BFAELO c1[nH]cc(C[C@@H]2CCNc3ccccc32)[nH+]1 ZINC000138461447 345770895 /nfs/dbraw/zinc/77/08/95/345770895.db2.gz OPHKGCHPHQSQFQ-JTQLQIEISA-N 1 2 213.284 2.552 10 0 BFAELO c1[nH]c(C[C@@H]2CCNc3ccccc32)c[nH+]1 ZINC000138461447 345770899 /nfs/dbraw/zinc/77/08/99/345770899.db2.gz OPHKGCHPHQSQFQ-JTQLQIEISA-N 1 2 213.284 2.552 10 0 BFAELO C[C@H]1CCc2[nH+]c(-c3ccccc3N)cn2C1 ZINC000258080224 345779715 /nfs/dbraw/zinc/77/97/15/345779715.db2.gz BGDRPFYUTWSGEQ-JTQLQIEISA-N 1 2 227.311 2.715 10 0 BFAELO Cc1cc(-c2cccc(=S)[nH]2)cc[nH+]1 ZINC000235866430 345951201 /nfs/dbraw/zinc/95/12/01/345951201.db2.gz FLSJQNPZRGWELF-UHFFFAOYSA-N 1 2 202.282 2.741 10 0 BFAELO Cc1cccc(C)c1NCc1[nH]cc[nH+]1 ZINC000083343645 179043762 /nfs/dbraw/zinc/04/37/62/179043762.db2.gz OMZKVJSFRMKCDF-UHFFFAOYSA-N 1 2 201.273 2.639 10 0 BFAELO CCCc1[nH]c2cccc(C(C)(C)O)c2[nH+]1 ZINC000205411275 346676859 /nfs/dbraw/zinc/67/68/59/346676859.db2.gz CORGLQHBWAAVGZ-UHFFFAOYSA-N 1 2 218.300 2.743 10 0 BFAELO Nc1cc(CSC2CCCC2)cc[nH+]1 ZINC000062831182 347140308 /nfs/dbraw/zinc/14/03/08/347140308.db2.gz ZFTIFMDXDXBGOF-UHFFFAOYSA-N 1 2 208.330 2.840 10 0 BFAELO Cc1ccccc1-c1nc(N)c(C)c(C)[nH+]1 ZINC000050847227 179238567 /nfs/dbraw/zinc/23/85/67/179238567.db2.gz QLSPLDCLYRGZBV-UHFFFAOYSA-N 1 2 213.284 2.651 10 0 BFAELO [NH3+][C@H](c1cccs1)C(F)(F)C(F)(F)F ZINC000037034528 348018155 /nfs/dbraw/zinc/01/81/55/348018155.db2.gz RISBVBSENWEURM-RXMQYKEDSA-N 1 2 231.189 2.946 10 0 BFAELO Cc1nc([C@@H](C)N[C@@H](C)c2[nH]cc[nH+]2)cs1 ZINC000124801330 180037717 /nfs/dbraw/zinc/03/77/17/180037717.db2.gz VLSVPDOIYDOYKG-SFYZADRCSA-N 1 2 236.344 2.586 10 0 BFAELO Cc1[nH+]c2cccc(Br)c2n1C ZINC000076209861 180099913 /nfs/dbraw/zinc/09/99/13/180099913.db2.gz QUVJEFJLOKULOX-UHFFFAOYSA-N 1 2 225.089 2.644 10 0 BFAELO Cc1nc(N)c(-c2ccccc2Cl)c[nH+]1 ZINC000026465994 180122499 /nfs/dbraw/zinc/12/24/99/180122499.db2.gz NEKPCWYQTBENCP-UHFFFAOYSA-N 1 2 219.675 2.688 10 0 BFAELO Cc1ncc(C[N@@H+]2Cc3ccc(N)cc3C2)s1 ZINC000049534591 180148794 /nfs/dbraw/zinc/14/87/94/180148794.db2.gz WSPHCLAFFLOODO-UHFFFAOYSA-N 1 2 245.351 2.550 10 0 BFAELO Cc1ncc(C[N@H+]2Cc3ccc(N)cc3C2)s1 ZINC000049534591 180148796 /nfs/dbraw/zinc/14/87/96/180148796.db2.gz WSPHCLAFFLOODO-UHFFFAOYSA-N 1 2 245.351 2.550 10 0 BFAELO Cc1ccc([C@H](C)[NH2+]Cc2ccnc(C)n2)o1 ZINC000038037252 180190654 /nfs/dbraw/zinc/19/06/54/180190654.db2.gz DMBXMPIPRPZQDV-JTQLQIEISA-N 1 2 231.299 2.537 10 0 BFAELO Cc1ccc([C@@H](C)Nc2cc[nH+]c(C)n2)o1 ZINC000054936054 180206085 /nfs/dbraw/zinc/20/60/85/180206085.db2.gz WRDDORXJHNIBKA-SECBINFHSA-N 1 2 217.272 2.860 10 0 BFAELO Cc1nc(N[C@H]2CCOc3ccccc32)cc[nH+]1 ZINC000054936517 180207671 /nfs/dbraw/zinc/20/76/71/180207671.db2.gz YYIMPYSJVYJYAM-LBPRGKRZSA-N 1 2 241.294 2.721 10 0 BFAELO Cc1nc(N[C@H]2CCc3ccccc32)cc[nH+]1 ZINC000266159139 180208265 /nfs/dbraw/zinc/20/82/65/180208265.db2.gz WBOKLCDRRVJQOJ-ZDUSSCGKSA-N 1 2 225.295 2.884 10 0 BFAELO Cc1nn(C)cc1[C@@H](C)Nc1ccc[nH+]c1C ZINC000091496111 180228044 /nfs/dbraw/zinc/22/80/44/180228044.db2.gz FIJDOKSZJWIOKW-SECBINFHSA-N 1 2 230.315 2.605 10 0 BFAELO CC[C@@H]1CS[C@H](c2nc(C)cs2)[NH2+]1 ZINC000159622917 350955204 /nfs/dbraw/zinc/95/52/04/350955204.db2.gz ZVIXIFDQPKTOFJ-VXNVDRBHSA-N 1 2 214.359 2.565 10 0 BFAELO Cc1csc([C@@H]2[NH2+]CC[C@@H](C)S2)n1 ZINC000159622644 350955220 /nfs/dbraw/zinc/95/52/20/350955220.db2.gz JXDBVBVSIVNYGT-HTQZYQBOSA-N 1 2 214.359 2.565 10 0 BFAELO CC[N@@H+]1CCOC[C@H]1c1cc2ccccc2cn1 ZINC000616641636 351149382 /nfs/dbraw/zinc/14/93/82/351149382.db2.gz MEHAORBUPILRRN-HNNXBMFYSA-N 1 2 242.322 2.628 10 0 BFAELO CC[N@H+]1CCOC[C@H]1c1cc2ccccc2cn1 ZINC000616641636 351149385 /nfs/dbraw/zinc/14/93/85/351149385.db2.gz MEHAORBUPILRRN-HNNXBMFYSA-N 1 2 242.322 2.628 10 0 BFAELO CN1c2ccccc2CC[C@H]1c1c[nH+]c[nH]1 ZINC000616670308 351232930 /nfs/dbraw/zinc/23/29/30/351232930.db2.gz OAKRSZNKWCULHQ-ZDUSSCGKSA-N 1 2 213.284 2.533 10 0 BFAELO CN1c2ccccc2CC[C@H]1c1c[nH]c[nH+]1 ZINC000616670308 351232933 /nfs/dbraw/zinc/23/29/33/351232933.db2.gz OAKRSZNKWCULHQ-ZDUSSCGKSA-N 1 2 213.284 2.533 10 0 BFAELO CN1c2ccccc2CC[C@H]1c1ccc(N)[nH+]c1 ZINC000616672025 351235248 /nfs/dbraw/zinc/23/52/48/351235248.db2.gz ZRYKYCVERUJADZ-AWEZNQCLSA-N 1 2 239.322 2.618 10 0 BFAELO CC(C)N1C[C@H](n2cc[nH+]c2)Cc2ccccc21 ZINC000616673710 351237375 /nfs/dbraw/zinc/23/73/75/351237375.db2.gz WXVFDRJJOIZHSO-CQSZACIVSA-N 1 2 241.338 2.895 10 0 BFAELO Cc1cnc([C@H]2[NH2+][C@H](C)CCS2)s1 ZINC000307028718 351430873 /nfs/dbraw/zinc/43/08/73/351430873.db2.gz NCFVDXAJKUNNAV-MUWHJKNJSA-N 1 2 214.359 2.565 10 0 BFAELO Clc1sccc1NCc1c[nH+]c[nH]1 ZINC000307039287 351437399 /nfs/dbraw/zinc/43/73/99/351437399.db2.gz PZNULTXWMZIQBX-UHFFFAOYSA-N 1 2 213.693 2.737 10 0 BFAELO Clc1sccc1NCc1c[nH]c[nH+]1 ZINC000307039287 351437403 /nfs/dbraw/zinc/43/74/03/351437403.db2.gz PZNULTXWMZIQBX-UHFFFAOYSA-N 1 2 213.693 2.737 10 0 BFAELO c1ccc(N[C@H]2CNc3ccccc3C2)[nH+]c1 ZINC000404440677 351458250 /nfs/dbraw/zinc/45/82/50/351458250.db2.gz JSAQOLPDVJZJCX-GFCCVEGCSA-N 1 2 225.295 2.530 10 0 BFAELO CC(C)(C)Oc1cc(N)[nH+]cc1Br ZINC000307143900 351501803 /nfs/dbraw/zinc/50/18/03/351501803.db2.gz HJPFXOSZFFRDAL-UHFFFAOYSA-N 1 2 245.120 2.604 10 0 BFAELO Nc1cc[nH+]c2c(Br)ccc(F)c12 ZINC000232221568 352481835 /nfs/dbraw/zinc/48/18/35/352481835.db2.gz KAGUNJIMSJIDGH-UHFFFAOYSA-N 1 2 241.063 2.719 10 0 BFAELO C[C@H](c1occc1Br)[NH+]1CCC1 ZINC000306605979 353029226 /nfs/dbraw/zinc/02/92/26/353029226.db2.gz QUDLMZGITSLTMH-SSDOTTSWSA-N 1 2 230.105 2.809 10 0 BFAELO CC1=C[NH+]=C[C@H](OC(C)(C)C)[C@H]1OC1CC1 ZINC000095727262 188146790 /nfs/dbraw/zinc/14/67/90/188146790.db2.gz WHYMWWPQNVULTK-RYUDHWBXSA-N 1 2 223.316 2.706 10 0 BFAELO CC1=C[NH+]=C[C@H](OC2CC2)[C@H]1OC(C)(C)C ZINC000095724579 188147017 /nfs/dbraw/zinc/14/70/17/188147017.db2.gz BDJGFWQTLNCZNV-RYUDHWBXSA-N 1 2 223.316 2.706 10 0 BFAELO CC1(C)C[C@H]1[NH2+][C@H](c1ncn[nH]1)C1CCCCC1 ZINC000330271780 188226321 /nfs/dbraw/zinc/22/63/21/188226321.db2.gz WNCJETVTBOCFDP-NEPJUHHUSA-N 1 2 248.374 2.814 10 0 BFAELO CC[C@@H]1CS[C@@H](c2ncc(Cl)s2)[NH2+]1 ZINC000223220379 353368065 /nfs/dbraw/zinc/36/80/65/353368065.db2.gz QLNOTCDMCCNTKH-XRGYYRRGSA-N 1 2 234.777 2.910 10 0 BFAELO Cc1cc(C)c(NC(=O)[C@H]2CC[C@@H](C)O2)c(C)[nH+]1 ZINC000178306091 366113772 /nfs/dbraw/zinc/11/37/72/366113772.db2.gz CMPARJKEFADTKR-ZYHUDNBSSA-N 1 2 248.326 2.513 10 0 BFAELO CCn1c(Br)c[nH+]c1C(C)C ZINC000258409289 259454316 /nfs/dbraw/zinc/45/43/16/259454316.db2.gz BWQPTDUIFRUYND-UHFFFAOYSA-N 1 2 217.110 2.789 10 0 BFAELO CC[C@@H](Nc1nc[nH+]c(N)c1Cl)C(C)C ZINC000233907562 363410387 /nfs/dbraw/zinc/41/03/87/363410387.db2.gz QPKMPTKMBLGGOB-SSDOTTSWSA-N 1 2 228.727 2.559 10 0 BFAELO CC[C@@H](Nc1[nH+]cnc(N)c1Cl)C(C)C ZINC000233907562 363410395 /nfs/dbraw/zinc/41/03/95/363410395.db2.gz QPKMPTKMBLGGOB-SSDOTTSWSA-N 1 2 228.727 2.559 10 0 BFAELO CCc1ccc(C[NH2+][C@@H](C)c2ncc(C)o2)o1 ZINC000231526676 357609438 /nfs/dbraw/zinc/60/94/38/357609438.db2.gz KPXRWUSIWWQSNM-JTQLQIEISA-N 1 2 234.299 2.989 10 0 BFAELO CC[NH+]1CCC(=C(F)Br)CC1 ZINC000685948151 538890516 /nfs/dbraw/zinc/89/05/16/538890516.db2.gz ZIQRAVIYVIBALY-UHFFFAOYSA-N 1 2 222.101 2.678 10 0 BFAELO Cc1nc([C@@H]2CCCN2Cc2c[nH+]c[nH]2)cs1 ZINC000189939924 357677053 /nfs/dbraw/zinc/67/70/53/357677053.db2.gz FRKRKQRMDUPEPQ-LBPRGKRZSA-N 1 2 248.355 2.512 10 0 BFAELO Cc1nc([C@@H]2CCCN2Cc2c[nH]c[nH+]2)cs1 ZINC000189939924 357677059 /nfs/dbraw/zinc/67/70/59/357677059.db2.gz FRKRKQRMDUPEPQ-LBPRGKRZSA-N 1 2 248.355 2.512 10 0 BFAELO C[C@H]([NH2+]Cc1nc(C2CC2)no1)c1cccs1 ZINC000193119546 357861057 /nfs/dbraw/zinc/86/10/57/357861057.db2.gz CUGGKHXMROCHFK-QMMMGPOBSA-N 1 2 249.339 2.859 10 0 BFAELO CCOC(=O)[C@H]([NH3+])c1cccc2c(C)csc21 ZINC000584596658 358254096 /nfs/dbraw/zinc/25/40/96/358254096.db2.gz JTUWBMHINATICL-LLVKDONJSA-N 1 2 249.335 2.773 10 0 BFAELO c1ccc2c(c1)CC[N@H+]1Cc3cccnc3C[C@H]21 ZINC000584640058 358325520 /nfs/dbraw/zinc/32/55/20/358325520.db2.gz ISALQUHTWBTCIS-MRXNPFEDSA-N 1 2 236.318 2.737 10 0 BFAELO c1ccc2c(c1)CC[N@@H+]1Cc3cccnc3C[C@H]21 ZINC000584640058 358325523 /nfs/dbraw/zinc/32/55/23/358325523.db2.gz ISALQUHTWBTCIS-MRXNPFEDSA-N 1 2 236.318 2.737 10 0 BFAELO C[C@H]1C[N@H+](Cc2c(F)cccc2F)CCS1 ZINC000131421882 358674848 /nfs/dbraw/zinc/67/48/48/358674848.db2.gz CNDKSVCNTBAFHY-VIFPVBQESA-N 1 2 243.322 2.902 10 0 BFAELO C[C@H]1C[N@@H+](Cc2c(F)cccc2F)CCS1 ZINC000131421882 358674852 /nfs/dbraw/zinc/67/48/52/358674852.db2.gz CNDKSVCNTBAFHY-VIFPVBQESA-N 1 2 243.322 2.902 10 0 BFAELO CC[C@@H]([NH2+][C@H](C)c1cccc(C)c1)C(=O)OC ZINC000134979216 358813326 /nfs/dbraw/zinc/81/33/26/358813326.db2.gz PAKMUVORUCFNHD-DGCLKSJQSA-N 1 2 235.327 2.597 10 0 BFAELO CC[C@H]([NH2+][C@H](C)c1cccc(C)c1)C(=O)OC ZINC000134979193 358813960 /nfs/dbraw/zinc/81/39/60/358813960.db2.gz PAKMUVORUCFNHD-YPMHNXCESA-N 1 2 235.327 2.597 10 0 BFAELO Clc1sccc1[C@@H]1[NH2+]CCS1 ZINC000306424487 359865590 /nfs/dbraw/zinc/86/55/90/359865590.db2.gz IKKPKLVFJKCCPZ-SSDOTTSWSA-N 1 2 205.735 2.737 10 0 BFAELO Clc1cscc1CNc1c[nH]c[nH+]1 ZINC000306521034 360358533 /nfs/dbraw/zinc/35/85/33/360358533.db2.gz KMRJZVGBKDQPIA-UHFFFAOYSA-N 1 2 213.693 2.737 10 0 BFAELO NC(=S)c1ccc[nH+]c1NCC1CCCCC1 ZINC000037260029 181321590 /nfs/dbraw/zinc/32/15/90/181321590.db2.gz WVRSUMZZNMYQFG-UHFFFAOYSA-N 1 2 249.383 2.708 10 0 BFAELO CCCc1[nH+]ccn1-c1cccc(Cl)n1 ZINC000069964304 361229698 /nfs/dbraw/zinc/22/96/98/361229698.db2.gz ODMUSMJUBMONQF-UHFFFAOYSA-N 1 2 221.691 2.873 10 0 BFAELO Nc1ccc(Oc2cc[nH+]cc2)c(F)c1 ZINC000037064960 361620404 /nfs/dbraw/zinc/62/04/04/361620404.db2.gz FYABOSFQTUJNCH-UHFFFAOYSA-N 1 2 204.204 2.595 10 0 BFAELO CCCn1c[nH+]c2c1cccc2N(C)C ZINC000675080726 541467933 /nfs/dbraw/zinc/46/79/33/541467933.db2.gz ULXYMPDWXQXHRO-UHFFFAOYSA-N 1 2 203.289 2.512 10 0 BFAELO Cc1cc(N[C@@H]2C[C@@H]2C)nc(-c2ccncc2)[nH+]1 ZINC000068909507 370858952 /nfs/dbraw/zinc/85/89/52/370858952.db2.gz YNKXWGJLEILPEY-JOYOIKCWSA-N 1 2 240.310 2.667 10 0 BFAELO Cc1cc(N[C@H]2C[C@@H]2C)nc(-c2ccncc2)[nH+]1 ZINC000068909510 370859333 /nfs/dbraw/zinc/85/93/33/370859333.db2.gz YNKXWGJLEILPEY-CABZTGNLSA-N 1 2 240.310 2.667 10 0 BFAELO Cc1ccc([C@H]2[NH2+]CC[C@@H](C)S2)cn1 ZINC000162355435 371663731 /nfs/dbraw/zinc/66/37/31/371663731.db2.gz YECFWVJVLWCJRZ-KOLCDFICSA-N 1 2 208.330 2.504 10 0 BFAELO Cc1cn2c(ccc(Br)c2C)[nH+]1 ZINC000228009495 371971415 /nfs/dbraw/zinc/97/14/15/371971415.db2.gz ZICACMNDHXREOT-UHFFFAOYSA-N 1 2 225.089 2.714 10 0 BFAELO Cc1cc(Br)cc2c(N)[nH+]ccc12 ZINC000307237370 372100996 /nfs/dbraw/zinc/10/09/96/372100996.db2.gz OIGJRPREQNRAHG-UHFFFAOYSA-N 1 2 237.100 2.888 10 0 BFAELO Nc1cc(Cl)[nH+]c(NCc2ccccc2)c1 ZINC000134191755 372175779 /nfs/dbraw/zinc/17/57/79/372175779.db2.gz WQSRVUFNJXSOAD-UHFFFAOYSA-N 1 2 233.702 2.929 10 0 BFAELO CN(Cc1ccccc1)c1cc(N)cc(Cl)[nH+]1 ZINC000134187336 372176248 /nfs/dbraw/zinc/17/62/48/372176248.db2.gz JLHGRLDZGKRJBO-UHFFFAOYSA-N 1 2 247.729 2.954 10 0 BFAELO [NH3+]C1(C(F)(F)F)C2CC3CC(C2)CC1C3 ZINC000068249660 372956748 /nfs/dbraw/zinc/95/67/48/372956748.db2.gz RNKUSGIYKOEMLP-UHFFFAOYSA-N 1 2 219.250 2.702 10 0 BFAELO CC(C)c1cccc2c(NN)cc[nH+]c21 ZINC000040175269 373115187 /nfs/dbraw/zinc/11/51/87/373115187.db2.gz IAHUDBFTFSGJCP-UHFFFAOYSA-N 1 2 201.273 2.644 10 0 BFAELO CCCCn1c2cc(C)c(C)cc2[nH+]c1CCO ZINC000040310638 169033787 /nfs/dbraw/zinc/03/37/87/169033787.db2.gz LFKRXUBJYNAVPN-UHFFFAOYSA-N 1 2 246.354 2.988 10 0 BFAELO O[C@H](Cn1cc[nH+]c1)c1ccc2ccccc2c1 ZINC000005117565 183228523 /nfs/dbraw/zinc/22/85/23/183228523.db2.gz LFAPKHXSAABGPQ-OAHLLOKOSA-N 1 2 238.290 2.770 10 0 BFAELO CCC[NH2+][C@](CCC)(C(=O)OC)c1ccccc1 ZINC000037513431 169294051 /nfs/dbraw/zinc/29/40/51/169294051.db2.gz UIQJRKDRECJXKJ-HNNXBMFYSA-N 1 2 249.354 2.855 10 0 BFAELO Cc1ccc([C@H](C)[NH2+][C@H](C)c2cnccn2)o1 ZINC000070478253 384113612 /nfs/dbraw/zinc/11/36/12/384113612.db2.gz BEOGDLIRPJVJDN-MNOVXSKESA-N 1 2 231.299 2.790 10 0 BFAELO Cc1cc[nH+]cc1NC1CCSCC1 ZINC000070958337 384144299 /nfs/dbraw/zinc/14/42/99/384144299.db2.gz JHPVEHODGBNSHN-UHFFFAOYSA-N 1 2 208.330 2.698 10 0 BFAELO C[NH2+][C@H](c1cc(C)cc(F)c1)C(F)F ZINC000234411671 384168727 /nfs/dbraw/zinc/16/87/27/384168727.db2.gz GKNGZHAYPZHGFX-SECBINFHSA-N 1 2 203.207 2.660 10 0 BFAELO Cc1cc[nH+]c(NC[C@@H](O)C(C)(C)C)c1Cl ZINC000309724270 384566924 /nfs/dbraw/zinc/56/69/24/384566924.db2.gz XGDAVFMAWRCSOR-SECBINFHSA-N 1 2 242.750 2.862 10 0 BFAELO Cc1csc(C[NH2+][C@@H]2COc3ccccc32)n1 ZINC000083704843 384793769 /nfs/dbraw/zinc/79/37/69/384793769.db2.gz PRXGZAZQCAQGAM-LLVKDONJSA-N 1 2 246.335 2.675 10 0 BFAELO c1cn(CC[C@@H]2CCCc3ncccc32)c[nH+]1 ZINC000013808188 384872620 /nfs/dbraw/zinc/87/26/20/384872620.db2.gz VPDLANZEXFQJSQ-LBPRGKRZSA-N 1 2 227.311 2.788 10 0 BFAELO CC(C)n1cc[nH+]c1CS[C@H]1CCO[C@@H]1C ZINC000163772140 384860941 /nfs/dbraw/zinc/86/09/41/384860941.db2.gz UFYVINDGJIBUFO-MNOVXSKESA-N 1 2 240.372 2.875 10 0 BFAELO CCn1cc[nH+]c1CSCCOCC1CC1 ZINC000175300565 384889213 /nfs/dbraw/zinc/88/92/13/384889213.db2.gz AOGOORAIZFMVKE-UHFFFAOYSA-N 1 2 240.372 2.563 10 0 BFAELO Cc1cc(C[NH2+][C@H](C)c2ncc(C)o2)sn1 ZINC000404493117 385019856 /nfs/dbraw/zinc/01/98/56/385019856.db2.gz XMPMEPPWJZOBGF-SECBINFHSA-N 1 2 237.328 2.599 10 0 BFAELO Cc1ccc(NC(=O)N[C@H](C)C(C)C)c(C)[nH+]1 ZINC000152273879 385169008 /nfs/dbraw/zinc/16/90/08/385169008.db2.gz HKJIFNHFQOHLEQ-SNVBAGLBSA-N 1 2 235.331 2.864 10 0 BFAELO c1cc(NCCC2=CCOCC2)nc(C2CC2)[nH+]1 ZINC000158063444 385337483 /nfs/dbraw/zinc/33/74/83/385337483.db2.gz MHBSHFXYBBFISR-UHFFFAOYSA-N 1 2 245.326 2.503 10 0 BFAELO Nc1ccc2ccc(OC(F)(F)F)cc2[nH+]1 ZINC000521400772 386445669 /nfs/dbraw/zinc/44/56/69/386445669.db2.gz OVXRQAKVBYZWRF-UHFFFAOYSA-N 1 2 228.173 2.546 10 0 BFAELO CO[C@@H]1CCC[C@H](Nc2cc[nH+]c(C3CC3)n2)C1 ZINC000301758003 386875644 /nfs/dbraw/zinc/87/56/44/386875644.db2.gz FBPKWWWCHITLNW-NWDGAFQWSA-N 1 2 247.342 2.724 10 0 BFAELO CCC[C@]1(COC)CCCN1c1cc(C)[nH+]cn1 ZINC000302829653 386938981 /nfs/dbraw/zinc/93/89/81/386938981.db2.gz PJSAFDKYPKNYEL-CQSZACIVSA-N 1 2 249.358 2.571 10 0 BFAELO CCc1c(CO)c(C)[nH+]c2cccc(C)c21 ZINC000536954713 387168207 /nfs/dbraw/zinc/16/82/07/387168207.db2.gz YODVZHJPKSJUMG-UHFFFAOYSA-N 1 2 215.296 2.906 10 0 BFAELO c1nc([C@H]2CCCC[N@H+]2CC2CCCC2)n[nH]1 ZINC000121827450 387419369 /nfs/dbraw/zinc/41/93/69/387419369.db2.gz RKQUSXRENFKNJT-GFCCVEGCSA-N 1 2 234.347 2.522 10 0 BFAELO c1nc([C@H]2CCCC[N@@H+]2CC2CCCC2)n[nH]1 ZINC000121827450 387419375 /nfs/dbraw/zinc/41/93/75/387419375.db2.gz RKQUSXRENFKNJT-GFCCVEGCSA-N 1 2 234.347 2.522 10 0 BFAELO CCOC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc(C)c1 ZINC000049371479 387786437 /nfs/dbraw/zinc/78/64/37/387786437.db2.gz IXKLGCCVCUHIKH-NWDGAFQWSA-N 1 2 235.327 2.597 10 0 BFAELO CCn1ccnc1C[N@@H+]1CCC[C@H]1c1ccco1 ZINC000172027042 134264198 /nfs/dbraw/zinc/26/41/98/134264198.db2.gz LCYLVURMSVERKS-LBPRGKRZSA-N 1 2 245.326 2.833 10 0 BFAELO CCn1ccnc1C[N@H+]1CCC[C@H]1c1ccco1 ZINC000172027042 134264199 /nfs/dbraw/zinc/26/41/99/134264199.db2.gz LCYLVURMSVERKS-LBPRGKRZSA-N 1 2 245.326 2.833 10 0 BFAELO Cc1cnc([C@@H](C)[NH2+]Cc2ncccc2C)o1 ZINC000220936010 134314842 /nfs/dbraw/zinc/31/48/42/134314842.db2.gz IGNDHXFGXPHVGE-LLVKDONJSA-N 1 2 231.299 2.537 10 0 BFAELO C[C@H]1C[C@@H]1C[N@@H+]1CCCc2c(N)cccc21 ZINC000261740206 135249006 /nfs/dbraw/zinc/24/90/06/135249006.db2.gz IKDLJUXWLNGAED-WDEREUQCSA-N 1 2 216.328 2.677 10 0 BFAELO C[C@H]1C[C@@H]1C[N@H+]1CCCc2c(N)cccc21 ZINC000261740206 135249007 /nfs/dbraw/zinc/24/90/07/135249007.db2.gz IKDLJUXWLNGAED-WDEREUQCSA-N 1 2 216.328 2.677 10 0 BFAELO CC[C@@H]([NH2+][C@H](C(=O)OC)c1ccccc1)C(C)C ZINC000050507321 322850296 /nfs/dbraw/zinc/85/02/96/322850296.db2.gz TZHLTAQDIHENRN-KGLIPLIRSA-N 1 2 249.354 2.925 10 0 BFAELO Cc1cc[nH+]cc1N[C@@H]1CS[C@H](C)C1 ZINC000086935987 487587534 /nfs/dbraw/zinc/58/75/34/487587534.db2.gz SAAXNXHGCXVINP-ZJUUUORDSA-N 1 2 208.330 2.696 10 0 BFAELO C[C@H]1CC(C)(C)C[C@@H]1[NH2+]CC(F)(F)F ZINC000235587256 410044029 /nfs/dbraw/zinc/04/40/29/410044029.db2.gz CADNXUJMRWMRDG-YUMQZZPRSA-N 1 2 209.255 2.963 10 0 BFAELO Brc1ccc2[nH+]c(C3CC3)cn2c1 ZINC000059865124 166100120 /nfs/dbraw/zinc/10/01/20/166100120.db2.gz RRIOKYWKFBDNEU-UHFFFAOYSA-N 1 2 237.100 2.974 10 0 BFAELO Brc1ccn2cc(C3CC3)[nH+]c2c1 ZINC000082330739 166103550 /nfs/dbraw/zinc/10/35/50/166103550.db2.gz WMEJSLGULVMORW-UHFFFAOYSA-N 1 2 237.100 2.974 10 0 BFAELO Brc1sccc1Cc1c[nH]c[nH+]1 ZINC000027999227 166108952 /nfs/dbraw/zinc/10/89/52/166108952.db2.gz TWKKFOGHMUMKLB-UHFFFAOYSA-N 1 2 243.129 2.825 10 0 BFAELO Brc1c[nH+]ccc1-n1cccc1 ZINC000011919536 166106316 /nfs/dbraw/zinc/10/63/16/166106316.db2.gz ABMKVOKGZPNESC-UHFFFAOYSA-N 1 2 223.073 2.635 10 0 BFAELO CC(C)[NH2+]Cc1noc(C2CCCCC2)n1 ZINC000051861143 167123439 /nfs/dbraw/zinc/12/34/39/167123439.db2.gz QBWMANADNFXHCV-UHFFFAOYSA-N 1 2 223.320 2.615 10 0 BFAELO CC(C)Oc1ccccc1-c1c[nH]c[nH+]1 ZINC000116367643 167308188 /nfs/dbraw/zinc/30/81/88/167308188.db2.gz YWZNXSHIYFLUOY-UHFFFAOYSA-N 1 2 202.257 2.864 10 0 BFAELO CC1CCC(Nc2cc[nH+]c(C(N)=S)c2)CC1 ZINC000061812270 168165437 /nfs/dbraw/zinc/16/54/37/168165437.db2.gz OBEBDMVHGQKIHZ-UHFFFAOYSA-N 1 2 249.383 2.706 10 0 BFAELO CC1CCC(OCc2ccc[nH+]c2N)CC1 ZINC000052754932 168167852 /nfs/dbraw/zinc/16/78/52/168167852.db2.gz LQGXBUCBBDBGCT-UHFFFAOYSA-N 1 2 220.316 2.759 10 0 BFAELO CC[C@H]1C[C@@H](Nc2c[nH+]ccc2C)CCO1 ZINC000069891312 411507331 /nfs/dbraw/zinc/50/73/31/411507331.db2.gz MMTCCHLPAFUXCR-RYUDHWBXSA-N 1 2 220.316 2.760 10 0 BFAELO CC[NH2+]C(C)(C)C(=O)O[C@H](C)c1ccccc1 ZINC000061171968 170107351 /nfs/dbraw/zinc/10/73/51/170107351.db2.gz RZSPSXLDTQYWST-LLVKDONJSA-N 1 2 235.327 2.679 10 0 BFAELO COc1ccccc1[C@H](C)[NH2+]Cc1coc(C)n1 ZINC000660172201 411552053 /nfs/dbraw/zinc/55/20/53/411552053.db2.gz JPASXDGDGXQLGT-JTQLQIEISA-N 1 2 246.310 2.842 10 0 BFAELO CC[NH2+][C@H](c1ccccc1Cl)c1ncccn1 ZINC000038078646 170149337 /nfs/dbraw/zinc/14/93/37/170149337.db2.gz RHJNBBVVLNYUIR-GFCCVEGCSA-N 1 2 247.729 2.829 10 0 BFAELO CCOC(=O)[C@H](C)[NH2+][C@H](C)c1cccc(C)c1 ZINC000049371485 170268292 /nfs/dbraw/zinc/26/82/92/170268292.db2.gz IXKLGCCVCUHIKH-NEPJUHHUSA-N 1 2 235.327 2.597 10 0 BFAELO CCOC(=O)[C@H]([NH3+])c1ccc(Cl)c(Cl)c1 ZINC000021984146 170276860 /nfs/dbraw/zinc/27/68/60/170276860.db2.gz SMWHWXQCKJOPEG-SECBINFHSA-N 1 2 248.109 2.556 10 0 BFAELO CCOC(=O)[C@H]([NH2+][C@@H](C)CC)c1cccc(C)c1 ZINC000038067555 170277671 /nfs/dbraw/zinc/27/76/71/170277671.db2.gz HUCATPNSYDLJNM-GXTWGEPZSA-N 1 2 249.354 2.987 10 0 BFAELO CCOC(=O)[C@](C)([NH2+]Cc1ccccc1)C1CC1 ZINC000037952676 170284400 /nfs/dbraw/zinc/28/44/00/170284400.db2.gz GWFSRANUUJRFTE-OAHLLOKOSA-N 1 2 247.338 2.508 10 0 BFAELO CC[C@H](C)[NH2+][C@](CC)(C(=O)OC)c1ccccc1 ZINC000038067073 171348982 /nfs/dbraw/zinc/34/89/82/171348982.db2.gz DTFIWQWGNBXBLB-WFASDCNBSA-N 1 2 249.354 2.853 10 0 BFAELO CCc1ccc([C@@H]([NH2+][C@H](C)CC)C(=O)OC)cc1 ZINC000038066851 171834904 /nfs/dbraw/zinc/83/49/04/171834904.db2.gz BKZVMAHRLBOLOM-BXUZGUMPSA-N 1 2 249.354 2.851 10 0 BFAELO CCc1nc2ccc3[nH+]ccn3c2cc1C ZINC000039101545 172014474 /nfs/dbraw/zinc/01/44/74/172014474.db2.gz SJRQWNWPABIVGI-UHFFFAOYSA-N 1 2 211.268 2.753 10 0 BFAELO CCc1nnc(C[N@@H+]2CCC[C@@H]2c2ccco2)o1 ZINC000116293891 172050049 /nfs/dbraw/zinc/05/00/49/172050049.db2.gz YETVGYRGAAVUSX-SNVBAGLBSA-N 1 2 247.298 2.562 10 0 BFAELO CCc1nnc(C[N@H+]2CCC[C@@H]2c2ccco2)o1 ZINC000116293891 172050051 /nfs/dbraw/zinc/05/00/51/172050051.db2.gz YETVGYRGAAVUSX-SNVBAGLBSA-N 1 2 247.298 2.562 10 0 BFAELO CNc1cc(CSC2CCOCC2)cc[nH+]1 ZINC000062056665 173473383 /nfs/dbraw/zinc/47/33/83/173473383.db2.gz QAKGKAZYJMYVHI-UHFFFAOYSA-N 1 2 238.356 2.536 10 0 BFAELO CNc1cc[nH+]c([C@@H]2CCC[C@@H](C)C2)n1 ZINC000050852761 173484288 /nfs/dbraw/zinc/48/42/88/173484288.db2.gz NGOFBYVIEZRBLV-NXEZZACHSA-N 1 2 205.305 2.812 10 0 BFAELO COc1ccc(NC2=[NH+]C[C@H](C3CC3)S2)cc1 ZINC000071306633 175149704 /nfs/dbraw/zinc/14/97/04/175149704.db2.gz OAQBDTTWHINNSG-GFCCVEGCSA-N 1 2 248.351 2.989 10 0 BFAELO COc1ccc([NH2+][C@H]2[C@@H]3CCO[C@@H]3C2(C)C)cc1 ZINC000085629828 175156256 /nfs/dbraw/zinc/15/62/56/175156256.db2.gz PRTOHNLGMYUWLC-IHRRRGAJSA-N 1 2 247.338 2.921 10 0 BFAELO COc1cccc2c1CCC[C@H]2c1c[nH]c[nH+]1 ZINC000000021287 175301563 /nfs/dbraw/zinc/30/15/63/175301563.db2.gz XVZVIENUEBLQBC-LLVKDONJSA-N 1 2 228.295 2.887 10 0 BFAELO C[C@@H](Nc1ccc([NH+](C)C)cc1)c1cn[nH]c1 ZINC000284960389 175930540 /nfs/dbraw/zinc/93/05/40/175930540.db2.gz FKXBTRIRSGGCGT-SNVBAGLBSA-N 1 2 230.315 2.649 10 0 BFAELO C[C@@H](OCc1ccc[nH+]c1N)c1ccccc1 ZINC000052754836 176002809 /nfs/dbraw/zinc/00/28/09/176002809.db2.gz ITGWIWYHXNSQDW-LLVKDONJSA-N 1 2 228.295 2.942 10 0 BFAELO C[C@@H]1CCCC[C@H]1N(C)c1cccc(CO)[nH+]1 ZINC000051042215 176087008 /nfs/dbraw/zinc/08/70/08/176087008.db2.gz OMASSKKSCJRDIV-DGCLKSJQSA-N 1 2 234.343 2.589 10 0 BFAELO C[C@@H]1CCC[N@@H+]1CC(=O)c1c(F)cccc1F ZINC000037911672 176108601 /nfs/dbraw/zinc/10/86/01/176108601.db2.gz YKDLDNWCNDAYHP-SECBINFHSA-N 1 2 239.265 2.632 10 0 BFAELO C[C@@H]1CCC[N@H+]1CC(=O)c1c(F)cccc1F ZINC000037911672 176108603 /nfs/dbraw/zinc/10/86/03/176108603.db2.gz YKDLDNWCNDAYHP-SECBINFHSA-N 1 2 239.265 2.632 10 0 BFAELO C[C@@H]1CCC[C@@H](Nc2cc(C(N)=S)cc[nH+]2)C1 ZINC000037256834 176124517 /nfs/dbraw/zinc/12/45/17/176124517.db2.gz KCPBVTZZVLPXIK-MWLCHTKSSA-N 1 2 249.383 2.706 10 0 BFAELO C[C@@H]1CCC[C@H](N(C)c2[nH+]cccc2CO)C1 ZINC000042494289 176140445 /nfs/dbraw/zinc/14/04/45/176140445.db2.gz MKWDOGMANHGIGU-YPMHNXCESA-N 1 2 234.343 2.589 10 0 BFAELO C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@H](C)C1=O ZINC000068592848 176363107 /nfs/dbraw/zinc/36/31/07/176363107.db2.gz CZWYZABAEYBOPQ-JHJVBQTASA-N 1 2 231.339 2.875 10 0 BFAELO C[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@H](C)C1=O ZINC000068592848 176363108 /nfs/dbraw/zinc/36/31/08/176363108.db2.gz CZWYZABAEYBOPQ-JHJVBQTASA-N 1 2 231.339 2.875 10 0 BFAELO C[C@@H]1C[C@@H]1CN(C)c1ccc2[nH+]cccc2c1N ZINC000104416354 176392297 /nfs/dbraw/zinc/39/22/97/176392297.db2.gz BGYQHFLAZFRYHM-GHMZBOCLSA-N 1 2 241.338 2.909 10 0 BFAELO C[C@H](c1cccc(N)c1)[N@H+](C)Cc1cscn1 ZINC000042859909 177036781 /nfs/dbraw/zinc/03/67/81/177036781.db2.gz RAQKJJVNYIOVEA-SNVBAGLBSA-N 1 2 247.367 2.918 10 0 BFAELO C[C@H](c1cccc(N)c1)[N@@H+](C)Cc1cscn1 ZINC000042859909 177036782 /nfs/dbraw/zinc/03/67/82/177036782.db2.gz RAQKJJVNYIOVEA-SNVBAGLBSA-N 1 2 247.367 2.918 10 0 BFAELO C[C@H]1CCCC[C@@H]1OC(=O)[C@@H]([NH3+])c1ccccc1 ZINC000135069661 177083726 /nfs/dbraw/zinc/08/37/26/177083726.db2.gz KNEVLTTVIHFIHJ-UBHSHLNASA-N 1 2 247.338 2.808 10 0 BFAELO C[C@H]1CCCC[C@@H]1OCc1ccc[nH+]c1N ZINC000052754801 177084617 /nfs/dbraw/zinc/08/46/17/177084617.db2.gz QAISFIDFOLIAGO-JQWIXIFHSA-N 1 2 220.316 2.759 10 0 BFAELO C[C@H]1CCCC[C@H]1N(C)c1ccc(CO)c[nH+]1 ZINC000042609784 177086590 /nfs/dbraw/zinc/08/65/90/177086590.db2.gz RLQKKOJHXUFJSJ-WCQYABFASA-N 1 2 234.343 2.589 10 0 BFAELO C[C@H]1CCCC[C@H]1Nc1[nH+]cccc1C(N)=S ZINC000019805727 177089571 /nfs/dbraw/zinc/08/95/71/177089571.db2.gz CJFIAWAYLVCDNO-GXSJLCMTSA-N 1 2 249.383 2.706 10 0 BFAELO C[C@H]1CCn2cc(-c3ccc(N)cc3)[nH+]c2C1 ZINC000049820877 177210728 /nfs/dbraw/zinc/21/07/28/177210728.db2.gz SKTLOHQNLNERNC-JTQLQIEISA-N 1 2 227.311 2.715 10 0 BFAELO C[C@@H]1C(=O)[C@@H](C)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC000068592846 177359946 /nfs/dbraw/zinc/35/99/46/177359946.db2.gz CZWYZABAEYBOPQ-RWMBFGLXSA-N 1 2 231.339 2.875 10 0 BFAELO C[C@@H]1C(=O)[C@@H](C)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC000068592846 177359949 /nfs/dbraw/zinc/35/99/49/177359949.db2.gz CZWYZABAEYBOPQ-RWMBFGLXSA-N 1 2 231.339 2.875 10 0 BFAELO C[C@H]1Cc2ccccc2N1Cc1cc[nH+]c(N)c1 ZINC000052717759 177390449 /nfs/dbraw/zinc/39/04/49/177390449.db2.gz KXBAWWVCZRAHLI-NSHDSACASA-N 1 2 239.322 2.615 10 0 BFAELO Cc1c(N)cccc1NCCCCn1cc[nH+]c1 ZINC000062725240 177614106 /nfs/dbraw/zinc/61/41/06/177614106.db2.gz XQZZHSIQZQZXKY-UHFFFAOYSA-N 1 2 244.342 2.666 10 0 BFAELO Cc1nc(C[NH2+][C@@H](C)c2ccccc2C)no1 ZINC000181538221 323078994 /nfs/dbraw/zinc/07/89/94/323078994.db2.gz HTRLMWKCZSNADP-JTQLQIEISA-N 1 2 231.299 2.537 10 0 BFAELO C[C@H]1C[N@H+](Cc2ccncc2Cl)CCS1 ZINC000075715384 325307634 /nfs/dbraw/zinc/30/76/34/325307634.db2.gz LWWDVVGIMRTUOR-VIFPVBQESA-N 1 2 242.775 2.672 10 0 BFAELO C[C@H]1C[N@@H+](Cc2ccncc2Cl)CCS1 ZINC000075715384 325307636 /nfs/dbraw/zinc/30/76/36/325307636.db2.gz LWWDVVGIMRTUOR-VIFPVBQESA-N 1 2 242.775 2.672 10 0 BFAELO CC[C@H]([NH2+][C@@H](C)c1ccc(C)cc1C)C(=O)OC ZINC000134965545 325384861 /nfs/dbraw/zinc/38/48/61/325384861.db2.gz NFCLHPKHELDROR-JSGCOSHPSA-N 1 2 249.354 2.906 10 0 BFAELO CC(C)[C@@H]([NH3+])c1cc(Cl)c(O)cc1F ZINC000757132850 582508469 /nfs/dbraw/zinc/50/84/69/582508469.db2.gz MNMPWCVAUMSFOD-SNVBAGLBSA-N 1 2 217.671 2.841 10 0 BFAELO C[Si](C)(C)CCSCc1c[nH+]c[nH]1 ZINC000725245633 538003094 /nfs/dbraw/zinc/00/30/94/538003094.db2.gz LFWGHWISBKAGMQ-UHFFFAOYSA-N 1 2 214.410 2.981 10 0 BFAELO C[Si](C)(C)CCSCc1c[nH]c[nH+]1 ZINC000725245633 538003098 /nfs/dbraw/zinc/00/30/98/538003098.db2.gz LFWGHWISBKAGMQ-UHFFFAOYSA-N 1 2 214.410 2.981 10 0 BFAELO Clc1ncsc1[C@@H]1[NH2+]CCc2ccoc21 ZINC000713483105 582478682 /nfs/dbraw/zinc/47/86/82/582478682.db2.gz YFIYSUDUWYBSSR-SSDOTTSWSA-N 1 2 240.715 2.625 10 0 BFAELO Clc1ncsc1[C@H]1[NH2+]CCc2ccoc21 ZINC000713483108 582478785 /nfs/dbraw/zinc/47/87/85/582478785.db2.gz YFIYSUDUWYBSSR-ZETCQYMHSA-N 1 2 240.715 2.625 10 0 BFAELO CN1CCc2cc([NH2+]C[C@@H]3CCCS3)ccc21 ZINC000757123948 582498853 /nfs/dbraw/zinc/49/88/53/582498853.db2.gz AZWHDWHKBSZJIG-ZDUSSCGKSA-N 1 2 248.395 2.986 10 0 BFAELO CC[C@H]([NH3+])c1cc(Cl)c(O)cc1F ZINC000757133683 582509621 /nfs/dbraw/zinc/50/96/21/582509621.db2.gz VHQVHWLGKFEOGF-QMMMGPOBSA-N 1 2 203.644 2.595 10 0 BFAELO Cc1ccoc1CSc1ccc(N)[nH+]c1 ZINC000757163056 582545328 /nfs/dbraw/zinc/54/53/28/582545328.db2.gz CDAHPCZESVROJE-UHFFFAOYSA-N 1 2 220.297 2.858 10 0 BFAELO CCC[C@@H](C)c1nc2[nH]ccc2c(NC)[nH+]1 ZINC000757563991 586461227 /nfs/dbraw/zinc/46/12/27/586461227.db2.gz AOBWMVGKYKWGBR-MRVPVSSYSA-N 1 2 218.304 2.855 10 0 BFAELO CCCCc1nc2[nH]ccc2c(NC2CC2)[nH+]1 ZINC000757564620 586461267 /nfs/dbraw/zinc/46/12/67/586461267.db2.gz DQSVAWODVLBGBD-UHFFFAOYSA-N 1 2 230.315 2.875 10 0 BFAELO CC(=O)[C@H]1CCC[N@H+](C/C(Cl)=C\Cl)C1 ZINC000211204991 591148353 /nfs/dbraw/zinc/14/83/53/591148353.db2.gz ZJEDOBJBITVOOT-UMYFRRCYSA-N 1 2 236.142 2.606 10 0 BFAELO CC(=O)[C@H]1CCC[N@@H+](C/C(Cl)=C\Cl)C1 ZINC000211204991 591148355 /nfs/dbraw/zinc/14/83/55/591148355.db2.gz ZJEDOBJBITVOOT-UMYFRRCYSA-N 1 2 236.142 2.606 10 0 BFAELO O=Cc1cccc(-n2cc[nH+]c2C2CC2)c1 ZINC000212443929 591405944 /nfs/dbraw/zinc/40/59/44/591405944.db2.gz PLUBAZICQSXABV-UHFFFAOYSA-N 1 2 212.252 2.562 10 0 BFAELO C[C@H]1CC[C@@H]1[NH2+]c1ccc(N(C)C)cc1 ZINC000308775709 631642679 /nfs/dbraw/zinc/64/26/79/631642679.db2.gz CWLRMBIVEKXOQK-GWCFXTLKSA-N 1 2 204.317 2.963 10 0 BFAELO C[C@H]1CC[C@@H]1Nc1ccc([NH+](C)C)cc1 ZINC000308775709 631642682 /nfs/dbraw/zinc/64/26/82/631642682.db2.gz CWLRMBIVEKXOQK-GWCFXTLKSA-N 1 2 204.317 2.963 10 0 BFAELO Cc1[nH+]cn(-c2ccc(C=O)cc2Cl)c1C ZINC000088041582 644507995 /nfs/dbraw/zinc/50/79/95/644507995.db2.gz KTZNFTSKJZFZKW-UHFFFAOYSA-N 1 2 234.686 2.955 10 0 BFAELO Cc1cc(N(C)C)[nH+]c(C)c1Br ZINC000095751961 178097665 /nfs/dbraw/zinc/09/76/65/178097665.db2.gz CISMTWZQYSPXPU-UHFFFAOYSA-N 1 2 229.121 2.527 10 0 BFAELO Cc1cc([NH3+])ccc1NCCOCC(F)(F)F ZINC000104439021 178105705 /nfs/dbraw/zinc/10/57/05/178105705.db2.gz BVVMWSFUQBHWNB-UHFFFAOYSA-N 1 2 248.248 2.568 10 0 BFAELO Cc1cc([NH3+])ccc1N[C@@H](C)[C@H]1CCCO1 ZINC000035734626 178107216 /nfs/dbraw/zinc/10/72/16/178107216.db2.gz XEIHIMBNOKBBEW-GXFFZTMASA-N 1 2 220.316 2.557 10 0 BFAELO Cc1cc(N)ccc1[NH2+]CCc1ccncc1 ZINC000048261071 178107705 /nfs/dbraw/zinc/10/77/05/178107705.db2.gz MUWPMGCDDZZQBV-UHFFFAOYSA-N 1 2 227.311 2.627 10 0 BFAELO Cc1cc([N@@H+]2CCCSCC2)ccc1N ZINC000042443748 178115360 /nfs/dbraw/zinc/11/53/60/178115360.db2.gz OOUYXCGRHSNPJQ-UHFFFAOYSA-N 1 2 222.357 2.521 10 0 BFAELO Cc1cc([N@H+]2CCCSCC2)ccc1N ZINC000042443748 178115362 /nfs/dbraw/zinc/11/53/62/178115362.db2.gz OOUYXCGRHSNPJQ-UHFFFAOYSA-N 1 2 222.357 2.521 10 0 BFAELO Cc1[nH+]c[nH]c1CNc1ccc(F)c(C)c1 ZINC000061116846 178171569 /nfs/dbraw/zinc/17/15/69/178171569.db2.gz REMXXJWZDDWUBG-UHFFFAOYSA-N 1 2 219.263 2.778 10 0 BFAELO Cc1cc(Oc2cc[nH+]cc2)ccc1N ZINC000036667212 178215191 /nfs/dbraw/zinc/21/51/91/178215191.db2.gz NSHZGORUSBOLRR-UHFFFAOYSA-N 1 2 200.241 2.765 10 0 BFAELO Cc1ccc(-c2nc(N)c(C)c(C)[nH+]2)cc1 ZINC000050847233 178332521 /nfs/dbraw/zinc/33/25/21/178332521.db2.gz NNNIGMRKXQUILQ-UHFFFAOYSA-N 1 2 213.284 2.651 10 0 BFAELO Cc1[nH]c(-c2ccc(C)c(N)c2)[nH+]c1C ZINC000042414855 178333578 /nfs/dbraw/zinc/33/35/78/178333578.db2.gz BEICGQZIOMFJRI-UHFFFAOYSA-N 1 2 201.273 2.584 10 0 BFAELO CCc1nc(C[N@@H+]2CCS[C@@H](C)C2)cs1 ZINC000171692553 346833859 /nfs/dbraw/zinc/83/38/59/346833859.db2.gz WJYCGYZDELUGAZ-VIFPVBQESA-N 1 2 242.413 2.643 10 0 BFAELO CCc1nc(C[N@H+]2CCS[C@@H](C)C2)cs1 ZINC000171692553 346833864 /nfs/dbraw/zinc/83/38/64/346833864.db2.gz WJYCGYZDELUGAZ-VIFPVBQESA-N 1 2 242.413 2.643 10 0 BFAELO CCC(CC)[C@@H](C[NH3+])[N@H+](CC)Cc1ccncc1 ZINC000042515372 168399617 /nfs/dbraw/zinc/39/96/17/168399617.db2.gz GINJOOGLCDTWQO-OAHLLOKOSA-N 1 2 249.402 2.667 10 0 BFAELO CCC(CC)[C@@H](C[NH3+])[N@@H+](CC)Cc1ccncc1 ZINC000042515372 168399619 /nfs/dbraw/zinc/39/96/19/168399619.db2.gz GINJOOGLCDTWQO-OAHLLOKOSA-N 1 2 249.402 2.667 10 0 BFAELO Nc1ccc2[nH]c(-c3ccsc3)[nH+]c2c1 ZINC000019429613 398313897 /nfs/dbraw/zinc/31/38/97/398313897.db2.gz LPXARYTXHJXWTI-UHFFFAOYSA-N 1 2 215.281 2.874 10 0 BFAELO CCc1nc(C2([NH2+]CC=C(C)C)CCCC2)no1 ZINC000173689779 346872174 /nfs/dbraw/zinc/87/21/74/346872174.db2.gz YSZMJXMLTYIFCP-UHFFFAOYSA-N 1 2 249.358 2.957 10 0 BFAELO Cc1[nH+]c(-c2cccnc2)c2cnc3[nH]ccc3n12 ZINC000117570483 343004888 /nfs/dbraw/zinc/00/48/88/343004888.db2.gz GNZUENAQXBETPY-UHFFFAOYSA-N 1 2 249.277 2.581 10 0 BFAELO Cc1cc(Cl)c2[nH+]cc(N)c(N)c2c1Cl ZINC000584882169 343084059 /nfs/dbraw/zinc/08/40/59/343084059.db2.gz RCUYYLJXNGDXDW-UHFFFAOYSA-N 1 2 242.109 2.845 10 0 BFAELO Cc1nc([C@@H](C)Nc2cc(C)[nH+]cn2)cs1 ZINC000170543312 136270286 /nfs/dbraw/zinc/27/02/86/136270286.db2.gz ITLWQDPUKXHXBN-MRVPVSSYSA-N 1 2 234.328 2.723 10 0 BFAELO COc1ccc(-c2cc[nH+]c(C)c2)cc1C=O ZINC000162956935 343205687 /nfs/dbraw/zinc/20/56/87/343205687.db2.gz LZDCGSNNVPVXRG-UHFFFAOYSA-N 1 2 227.263 2.878 10 0 BFAELO COC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(C)c(C)c1 ZINC000042304088 343434552 /nfs/dbraw/zinc/43/45/52/343434552.db2.gz KSXWIRHLEMMWFC-VXGBXAGGSA-N 1 2 235.327 2.516 10 0 BFAELO COC(=[NH2+])CCc1c(C2CC2)n[nH]c1C(C)C ZINC000409438269 343850326 /nfs/dbraw/zinc/85/03/26/343850326.db2.gz BZIJLPDLLAHDJQ-UHFFFAOYSA-N 1 2 235.331 2.967 10 0 BFAELO COC(=[NH2+])CCc1c(C(C)C)n[nH]c1C1CC1 ZINC000409438269 343850329 /nfs/dbraw/zinc/85/03/29/343850329.db2.gz BZIJLPDLLAHDJQ-UHFFFAOYSA-N 1 2 235.331 2.967 10 0 BFAELO CCc1cc(-c2ccsc2)nn1CC(=[NH2+])OC ZINC000409441890 343861801 /nfs/dbraw/zinc/86/18/01/343861801.db2.gz ULCYFJALUZAFPA-UHFFFAOYSA-N 1 2 249.339 2.798 10 0 BFAELO CO[C@H](C)CSCc1[nH+]ccn1C(C)C ZINC000181136272 347049433 /nfs/dbraw/zinc/04/94/33/347049433.db2.gz SWZDWSIVRLVAMG-SNVBAGLBSA-N 1 2 228.361 2.732 10 0 BFAELO CCc1nc(C[NH2+][C@@H](C)c2ccccc2C)no1 ZINC000181538380 347063273 /nfs/dbraw/zinc/06/32/73/347063273.db2.gz LCTIQGKXSMDVRK-NSHDSACASA-N 1 2 245.326 2.791 10 0 BFAELO Cc1cc[nH+]c(N[C@@H]2C[C@@H]2C)c1Br ZINC000235595860 344950805 /nfs/dbraw/zinc/95/08/05/344950805.db2.gz FESXEGAUKCVSLH-JGVFFNPUSA-N 1 2 241.132 2.973 10 0 BFAELO Cc1c[nH+]cc(CF)c1OC(F)(F)F ZINC000238541305 345075445 /nfs/dbraw/zinc/07/54/45/345075445.db2.gz ZJTDFMGNBOIUMS-UHFFFAOYSA-N 1 2 209.142 2.758 10 0 BFAELO Cc1cc(OC(F)(F)F)c(CF)c[nH+]1 ZINC000238492423 345059726 /nfs/dbraw/zinc/05/97/26/345059726.db2.gz HZWCHZLJCHVEJV-UHFFFAOYSA-N 1 2 209.142 2.758 10 0 BFAELO Cc1cc([NH2+][C@@H]2CCSC2)ccc1O ZINC000148169250 345287674 /nfs/dbraw/zinc/28/76/74/345287674.db2.gz HWZGPTNECBTEMB-SNVBAGLBSA-N 1 2 209.314 2.618 10 0 BFAELO Cc1ccncc1[C@@H]1[NH2+]CC[C@H](C)S1 ZINC000135523788 345444273 /nfs/dbraw/zinc/44/42/73/345444273.db2.gz NFAJLDCYXDGBLF-GXSJLCMTSA-N 1 2 208.330 2.504 10 0 BFAELO Cc1nc2[nH]ccc2c(N[C@@H](C)C(C)C)[nH+]1 ZINC000080762960 345449843 /nfs/dbraw/zinc/44/98/43/345449843.db2.gz MQVVIQXFKCLQLR-QMMMGPOBSA-N 1 2 218.304 2.723 10 0 BFAELO CN(C)C1=[NH+][C@@H]2c3cccc4cccc(c34)[C@@H]2O1 ZINC000033865106 345813181 /nfs/dbraw/zinc/81/31/81/345813181.db2.gz VGRSJZAGRKMMIT-KGLIPLIRSA-N 1 2 238.290 2.883 10 0 BFAELO C[C@@H]1CCn2cc(-c3ccccc3N)[nH+]c2C1 ZINC000258069845 345780162 /nfs/dbraw/zinc/78/01/62/345780162.db2.gz AWPKXBGMNHKYIS-SNVBAGLBSA-N 1 2 227.311 2.715 10 0 BFAELO C[C@@H]1CCn2cc(-c3ccncc3)[nH+]c2C1 ZINC000258307539 345783688 /nfs/dbraw/zinc/78/36/88/345783688.db2.gz JRJKCIUQKWHKOO-SNVBAGLBSA-N 1 2 213.284 2.527 10 0 BFAELO CC(C)[N@@H+]1CCc2nc(Cl)sc2C1 ZINC000061714235 345845689 /nfs/dbraw/zinc/84/56/89/345845689.db2.gz CASJOKSUWAHGON-UHFFFAOYSA-N 1 2 216.737 2.563 10 0 BFAELO CC(C)[N@H+]1CCc2nc(Cl)sc2C1 ZINC000061714235 345845690 /nfs/dbraw/zinc/84/56/90/345845690.db2.gz CASJOKSUWAHGON-UHFFFAOYSA-N 1 2 216.737 2.563 10 0 BFAELO c1[nH]cc(Cc2cccc3cccnc32)[nH+]1 ZINC000143797638 345867047 /nfs/dbraw/zinc/86/70/47/345867047.db2.gz YWHBADFWTJONNM-UHFFFAOYSA-N 1 2 209.252 2.549 10 0 BFAELO Fc1ccc(Cl)cc1[C@H]1[NH2+]CCS1 ZINC000163562035 346566335 /nfs/dbraw/zinc/56/63/35/346566335.db2.gz WQRBPHQVUUBZQW-VIFPVBQESA-N 1 2 217.696 2.814 10 0 BFAELO Nc1ccc(CSC2CCCC2)c[nH+]1 ZINC000062831187 347139827 /nfs/dbraw/zinc/13/98/27/347139827.db2.gz OLEPKCJSPHWKAD-UHFFFAOYSA-N 1 2 208.330 2.840 10 0 BFAELO Cc1ccccc1[N@H+](C)CC1(CO)CCCC1 ZINC000051294698 179295203 /nfs/dbraw/zinc/29/52/03/179295203.db2.gz ZQEVXHXAMYNSEO-UHFFFAOYSA-N 1 2 233.355 2.984 10 0 BFAELO Cc1ccccc1[N@@H+](C)CC1(CO)CCCC1 ZINC000051294698 179295205 /nfs/dbraw/zinc/29/52/05/179295205.db2.gz ZQEVXHXAMYNSEO-UHFFFAOYSA-N 1 2 233.355 2.984 10 0 BFAELO CCOC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(C)c(C)c1 ZINC000049367575 187395264 /nfs/dbraw/zinc/39/52/64/187395264.db2.gz HTICBOJKDSXIFX-CHWSQXEVSA-N 1 2 249.354 2.906 10 0 BFAELO CC(C)(Cn1cc[nH+]c1)c1ccccc1 ZINC000255975947 187396066 /nfs/dbraw/zinc/39/60/66/187396066.db2.gz HDEOXHCPNICVED-UHFFFAOYSA-N 1 2 200.285 2.861 10 0 BFAELO Cc1ccnc(C[NH2+][C@@H](C)c2ccccc2C)n1 ZINC000341068092 179425269 /nfs/dbraw/zinc/42/52/69/179425269.db2.gz BKNBKYSDQPRKOU-ZDUSSCGKSA-N 1 2 241.338 2.944 10 0 BFAELO Cc1c[nH+]c2c(Br)cc(C)cn12 ZINC000205957848 348609113 /nfs/dbraw/zinc/60/91/13/348609113.db2.gz DXKQGHPGINBHLV-UHFFFAOYSA-N 1 2 225.089 2.714 10 0 BFAELO Cc1nc2cc(NCc3[nH]c[nH+]c3C)ccc2o1 ZINC000054794244 180083247 /nfs/dbraw/zinc/08/32/47/180083247.db2.gz IBAKABXHRKAUOA-UHFFFAOYSA-N 1 2 242.282 2.780 10 0 BFAELO Cc1nc(NC(C)(C)C)c2c([nH+]1)CCCC2 ZINC000302039688 180068201 /nfs/dbraw/zinc/06/82/01/180068201.db2.gz HIYMRFLYWQTFSE-UHFFFAOYSA-N 1 2 219.332 2.874 10 0 BFAELO Cc1[nH+]c2n(c1Br)CCC[C@@H]2C ZINC000049821307 180108775 /nfs/dbraw/zinc/10/87/75/180108775.db2.gz GNWBPZYEQSRFGW-LURJTMIESA-N 1 2 229.121 2.851 10 0 BFAELO Cc1[nH+]c[nH]c1CNc1c(F)cccc1F ZINC000054794443 180121615 /nfs/dbraw/zinc/12/16/15/180121615.db2.gz PEFBPRPJBQDHPC-UHFFFAOYSA-N 1 2 223.226 2.608 10 0 BFAELO Cc1[nH+]ccc(OC2CC2)c1C(F)(F)F ZINC000095723912 180207739 /nfs/dbraw/zinc/20/77/39/180207739.db2.gz XYRNHJVWSABIEO-UHFFFAOYSA-N 1 2 217.190 2.950 10 0 BFAELO Cc1nccnc1[C@H](C)Nc1ccc[nH+]c1C ZINC000219226488 180225684 /nfs/dbraw/zinc/22/56/84/180225684.db2.gz USSZBQLZYKLUOL-NSHDSACASA-N 1 2 228.299 2.662 10 0 BFAELO CC1(C)CS[C@@H](c2ncc(Cl)s2)[NH2+]1 ZINC000223220633 350269008 /nfs/dbraw/zinc/26/90/08/350269008.db2.gz HRLBREQGYPVTAW-ZETCQYMHSA-N 1 2 234.777 2.910 10 0 BFAELO c1csc(C[NH2+][C@H]2CCOc3ccccc32)n1 ZINC000041012144 350402984 /nfs/dbraw/zinc/40/29/84/350402984.db2.gz AZPKBQMOYRNOHR-NSHDSACASA-N 1 2 246.335 2.757 10 0 BFAELO [NH3+]c1ccc2c(c1)C[C@@H](O)[C@@H](C1CCCCC1)N2 ZINC000725267437 538098180 /nfs/dbraw/zinc/09/81/80/538098180.db2.gz GXOTWGSVMLQDRV-HUUCEWRRSA-N 1 2 246.354 2.547 10 0 BFAELO Cc1noc(C)c1CSc1ccc(N)[nH+]c1 ZINC000037192599 180476405 /nfs/dbraw/zinc/47/64/05/180476405.db2.gz AOJHROLIBHSNRI-UHFFFAOYSA-N 1 2 235.312 2.561 10 0 BFAELO CC[N@@H+]1CCOC[C@H]1c1cnc2ccccc2c1 ZINC000616642056 351150980 /nfs/dbraw/zinc/15/09/80/351150980.db2.gz UGDDLZNTDKYISS-HNNXBMFYSA-N 1 2 242.322 2.628 10 0 BFAELO CC[N@H+]1CCOC[C@H]1c1cnc2ccccc2c1 ZINC000616642056 351150987 /nfs/dbraw/zinc/15/09/87/351150987.db2.gz UGDDLZNTDKYISS-HNNXBMFYSA-N 1 2 242.322 2.628 10 0 BFAELO CCN1C[C@@H](c2c[nH]c[nH+]2)Cc2ccccc21 ZINC000616672283 351235307 /nfs/dbraw/zinc/23/53/07/351235307.db2.gz GYTSZXPDBMVHBR-LBPRGKRZSA-N 1 2 227.311 2.576 10 0 BFAELO CCN1C[C@@H](c2c[nH+]c[nH]2)Cc2ccccc21 ZINC000616672283 351235309 /nfs/dbraw/zinc/23/53/09/351235309.db2.gz GYTSZXPDBMVHBR-LBPRGKRZSA-N 1 2 227.311 2.576 10 0 BFAELO C[NH+](C)CC(=O)c1ccc(Cl)c(Cl)c1 ZINC000034989553 351376624 /nfs/dbraw/zinc/37/66/24/351376624.db2.gz SHGZUGMLBQTHLL-UHFFFAOYSA-N 1 2 232.110 2.738 10 0 BFAELO Nc1ccc([NH2+]C2CC2)cc1C(F)(F)F ZINC000034939553 351355926 /nfs/dbraw/zinc/35/59/26/351355926.db2.gz VWLLXYZBIGBPSJ-UHFFFAOYSA-N 1 2 216.206 2.862 10 0 BFAELO Cc1cnc([C@@H]2[NH2+][C@@H](C)CCS2)s1 ZINC000307028717 351430546 /nfs/dbraw/zinc/43/05/46/351430546.db2.gz NCFVDXAJKUNNAV-IMTBSYHQSA-N 1 2 214.359 2.565 10 0 BFAELO CC[C@H]1CS[C@@H](c2ncc(C)s2)[NH2+]1 ZINC000307219850 351620273 /nfs/dbraw/zinc/62/02/73/351620273.db2.gz HJNDOEROCWSONN-CBAPKCEASA-N 1 2 214.359 2.565 10 0 BFAELO CC(C)C[C@H]1CC(=O)C[N@@H+]1Cc1ccccc1 ZINC000725272222 538103657 /nfs/dbraw/zinc/10/36/57/538103657.db2.gz IPYHGOHEQSXTLF-AWEZNQCLSA-N 1 2 231.339 2.876 10 0 BFAELO CC(C)C[C@H]1CC(=O)C[N@H+]1Cc1ccccc1 ZINC000725272222 538103658 /nfs/dbraw/zinc/10/36/58/538103658.db2.gz IPYHGOHEQSXTLF-AWEZNQCLSA-N 1 2 231.339 2.876 10 0 BFAELO O=C1C[C@@H](CC2CC2)[N@H+](Cc2ccccc2)C1 ZINC000725273152 538104352 /nfs/dbraw/zinc/10/43/52/538104352.db2.gz VNMLLRDPMHKBEB-CQSZACIVSA-N 1 2 229.323 2.630 10 0 BFAELO O=C1C[C@@H](CC2CC2)[N@@H+](Cc2ccccc2)C1 ZINC000725273152 538104353 /nfs/dbraw/zinc/10/43/53/538104353.db2.gz VNMLLRDPMHKBEB-CQSZACIVSA-N 1 2 229.323 2.630 10 0 BFAELO C[C@@H]1C[NH2+][C@@H](c2cccc(O)c2Cl)S1 ZINC000307656058 352744620 /nfs/dbraw/zinc/74/46/20/352744620.db2.gz YDENHXRXGDMARO-LHLIQPBNSA-N 1 2 229.732 2.769 10 0 BFAELO Cc1ncc([C@H]2[NH2+]CC[C@@H](C)S2)s1 ZINC000307748932 353126249 /nfs/dbraw/zinc/12/62/49/353126249.db2.gz DUCMAJLUMXQEFN-MUWHJKNJSA-N 1 2 214.359 2.565 10 0 BFAELO Cc1cc(N)nc(-c2ccc(Cl)cc2)[nH+]1 ZINC000039293416 188110101 /nfs/dbraw/zinc/11/01/01/188110101.db2.gz YNDNGVKCOYLJGD-UHFFFAOYSA-N 1 2 219.675 2.688 10 0 BFAELO CC(C)(C)c1nc([C@H]([NH3+])c2ccccc2F)no1 ZINC000036764730 188112686 /nfs/dbraw/zinc/11/26/86/188112686.db2.gz YWFCTFZLGZABIG-SNVBAGLBSA-N 1 2 249.289 2.554 10 0 BFAELO CC1(C)C(=O)CCC[N@H+]1Cc1ccccc1 ZINC000082161776 188137864 /nfs/dbraw/zinc/13/78/64/188137864.db2.gz FCLHNLYGDMFRFN-UHFFFAOYSA-N 1 2 217.312 2.630 10 0 BFAELO CC1(C)C(=O)CCC[N@@H+]1Cc1ccccc1 ZINC000082161776 188137866 /nfs/dbraw/zinc/13/78/66/188137866.db2.gz FCLHNLYGDMFRFN-UHFFFAOYSA-N 1 2 217.312 2.630 10 0 BFAELO CC1(C)C[C@H]1c1nnc([C@H]([NH3+])c2ccccc2)o1 ZINC000083371732 188141700 /nfs/dbraw/zinc/14/17/00/188141700.db2.gz CZZZIFFIXUZTQZ-WDEREUQCSA-N 1 2 243.310 2.631 10 0 BFAELO C[C@@H]1C[NH2+][C@@H](c2ncc(Cl)s2)S1 ZINC000223218947 353364869 /nfs/dbraw/zinc/36/48/69/353364869.db2.gz DOINLINKZQWSDI-INEUFUBQSA-N 1 2 220.750 2.520 10 0 BFAELO CC1(C)CS[C@H](c2ncc(Cl)s2)[NH2+]1 ZINC000223220688 353368354 /nfs/dbraw/zinc/36/83/54/353368354.db2.gz HRLBREQGYPVTAW-SSDOTTSWSA-N 1 2 234.777 2.910 10 0 BFAELO CC[C@H]1C[C@H]1Nc1cc(N)cc(Cl)[nH+]1 ZINC000229540680 353475361 /nfs/dbraw/zinc/47/53/61/353475361.db2.gz UCIRJNYSOZIHCT-POYBYMJQSA-N 1 2 211.696 2.528 10 0 BFAELO C[NH+](C)CC(=O)c1cc(Cl)ccc1Cl ZINC000035224928 356420747 /nfs/dbraw/zinc/42/07/47/356420747.db2.gz DTMXNFIBXHRACU-UHFFFAOYSA-N 1 2 232.110 2.738 10 0 BFAELO Nc1ccc(SCc2ccoc2)c[nH+]1 ZINC000130080771 357177781 /nfs/dbraw/zinc/17/77/81/357177781.db2.gz HAGQWUPDQWLMEX-UHFFFAOYSA-N 1 2 206.270 2.549 10 0 BFAELO Cc1cnc([C@@H](C)NCc2c[nH+]cn2C(C)C)o1 ZINC000231740694 357624139 /nfs/dbraw/zinc/62/41/39/357624139.db2.gz RQOLBQGTCHEFFR-LLVKDONJSA-N 1 2 248.330 2.611 10 0 BFAELO c1cn(C[C@@H]2CCC3(CCCCC3)O2)c[nH+]1 ZINC000191838176 357808664 /nfs/dbraw/zinc/80/86/64/357808664.db2.gz WMJRTQKNMXLIOE-LBPRGKRZSA-N 1 2 220.316 2.765 10 0 BFAELO FC(F)(F)[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccn[nH]1 ZINC000037100006 358064845 /nfs/dbraw/zinc/06/48/45/358064845.db2.gz HQICBNMBCZVUIT-ZJUUUORDSA-N 1 2 247.264 2.620 10 0 BFAELO C[C@H](OC(=O)[C@H]([NH3+])c1ccccc1)C(C)(C)C ZINC000584595582 358253284 /nfs/dbraw/zinc/25/32/84/358253284.db2.gz ORDDWTGXFMRPNZ-CMPLNLGQSA-N 1 2 235.327 2.664 10 0 BFAELO COc1ccc(/C=C(/F)n2cc[nH+]c2)cc1 ZINC000584609687 358271249 /nfs/dbraw/zinc/27/12/49/358271249.db2.gz WLUMSFDCYKGGIC-WQLSENKSSA-N 1 2 218.231 2.817 10 0 BFAELO CCn1cc[nH+]c1CNc1cccc(F)c1F ZINC000051923991 358768409 /nfs/dbraw/zinc/76/84/09/358768409.db2.gz GQXWCUBYKRPQKL-UHFFFAOYSA-N 1 2 237.253 2.793 10 0 BFAELO c1ccc(N[C@H]2COc3ccccc32)[nH+]c1 ZINC000070199013 359044439 /nfs/dbraw/zinc/04/44/39/359044439.db2.gz DFFHTMRMQBUCMH-NSHDSACASA-N 1 2 212.252 2.627 10 0 BFAELO Cc1ccc(C[NH+]2[C@@H](C)COC[C@@H]2C)cc1F ZINC000093607503 360264814 /nfs/dbraw/zinc/26/48/14/360264814.db2.gz HZIZBGPHOKFJOR-RYUDHWBXSA-N 1 2 237.318 2.743 10 0 BFAELO Cc1ccc([C@@H]2C[N@H+](Cc3ccco3)CCO2)o1 ZINC000093864573 360284784 /nfs/dbraw/zinc/28/47/84/360284784.db2.gz GHCCSYGHKSAYQF-AWEZNQCLSA-N 1 2 247.294 2.755 10 0 BFAELO Cc1ccc([C@@H]2C[N@@H+](Cc3ccco3)CCO2)o1 ZINC000093864573 360284785 /nfs/dbraw/zinc/28/47/85/360284785.db2.gz GHCCSYGHKSAYQF-AWEZNQCLSA-N 1 2 247.294 2.755 10 0 BFAELO NC(=S)c1ccccc1[NH+]1CCCCCC1 ZINC000020075807 181321647 /nfs/dbraw/zinc/32/16/47/181321647.db2.gz IBZYIRYKUXDDGO-UHFFFAOYSA-N 1 2 234.368 2.701 10 0 BFAELO N[C@@H](c1c[nH+]c2ccc(Cl)cn21)C(F)(F)F ZINC000031919753 181568277 /nfs/dbraw/zinc/56/82/77/181568277.db2.gz CWPRJPQVARZCHU-QMMMGPOBSA-N 1 2 249.623 2.550 10 0 BFAELO Cc1ncc([C@H]2[NH2+][C@H](C)CCS2)s1 ZINC000307737517 372144243 /nfs/dbraw/zinc/14/42/43/372144243.db2.gz UZLLOTARSTWPHP-MUWHJKNJSA-N 1 2 214.359 2.565 10 0 BFAELO [NH3+][C@H](c1ccco1)c1occc1Br ZINC000068982971 373101997 /nfs/dbraw/zinc/10/19/97/373101997.db2.gz BBNHHASTCUPPEO-MRVPVSSYSA-N 1 2 242.072 2.683 10 0 BFAELO Nc1[nH+]cccc1-c1occc1Br ZINC000069841412 373852698 /nfs/dbraw/zinc/85/26/98/373852698.db2.gz KMTFQHZIHRPNAR-UHFFFAOYSA-N 1 2 239.072 2.686 10 0 BFAELO CCC[NH+](CCC)c1ccccc1C(N)=S ZINC000020075877 169154527 /nfs/dbraw/zinc/15/45/27/169154527.db2.gz OJLBKJSELARTHN-UHFFFAOYSA-N 1 2 236.384 2.947 10 0 BFAELO Oc1cccc2c1CCC[C@H]2c1c[nH]c[nH+]1 ZINC000000021288 183296071 /nfs/dbraw/zinc/29/60/71/183296071.db2.gz URKMLGAUGBZDSY-SNVBAGLBSA-N 1 2 214.268 2.584 10 0 BFAELO Oc1cccc2[nH+]cn(-c3ccccc3)c21 ZINC000013782591 183298642 /nfs/dbraw/zinc/29/86/42/183298642.db2.gz TUOGHCCYCCTPLE-UHFFFAOYSA-N 1 2 210.236 2.731 10 0 BFAELO c1cc(C2CCCCC2)nc(C2CCC[NH2+]2)n1 ZINC000071397884 183337099 /nfs/dbraw/zinc/33/70/99/183337099.db2.gz WVIPUESTECKERR-ZDUSSCGKSA-N 1 2 231.343 2.949 10 0 BFAELO CCCNc1cc(C)[nH+]c(Cc2cccnc2)n1 ZINC000053132826 169293634 /nfs/dbraw/zinc/29/36/34/169293634.db2.gz HEJTVBCXSYRAQZ-UHFFFAOYSA-N 1 2 242.326 2.593 10 0 BFAELO CCCNc1ccc2[nH+]cccc2c1N ZINC000037377452 169295201 /nfs/dbraw/zinc/29/52/01/169295201.db2.gz KKKSCALYPICPES-UHFFFAOYSA-N 1 2 201.273 2.639 10 0 BFAELO CCc1[nH+]cccc1CCc1ccccn1 ZINC000039101582 384102590 /nfs/dbraw/zinc/10/25/90/384102590.db2.gz BZKKEMZSKAAEMJ-UHFFFAOYSA-N 1 2 212.296 2.824 10 0 BFAELO C[C@H]1C=CC=C[N@@H+]1CC(=O)c1ccccc1 ZINC000006494742 384154936 /nfs/dbraw/zinc/15/49/36/384154936.db2.gz FLCHRNDGFMDZTH-LBPRGKRZSA-N 1 2 213.280 2.643 10 0 BFAELO C[C@H]1C=CC=C[N@H+]1CC(=O)c1ccccc1 ZINC000006494742 384154942 /nfs/dbraw/zinc/15/49/42/384154942.db2.gz FLCHRNDGFMDZTH-LBPRGKRZSA-N 1 2 213.280 2.643 10 0 BFAELO C[C@@H]1C=CC=C[N@@H+]1CC(=O)c1ccccc1 ZINC000006487984 384156101 /nfs/dbraw/zinc/15/61/01/384156101.db2.gz FLCHRNDGFMDZTH-GFCCVEGCSA-N 1 2 213.280 2.643 10 0 BFAELO C[C@@H]1C=CC=C[N@H+]1CC(=O)c1ccccc1 ZINC000006487984 384156104 /nfs/dbraw/zinc/15/61/04/384156104.db2.gz FLCHRNDGFMDZTH-GFCCVEGCSA-N 1 2 213.280 2.643 10 0 BFAELO Cc1cc[nH+]cc1N[C@@H]1CCCSC1 ZINC000070958547 384142630 /nfs/dbraw/zinc/14/26/30/384142630.db2.gz SGFRIFQIIFDQLU-SNVBAGLBSA-N 1 2 208.330 2.698 10 0 BFAELO Cc1cc[nH+]cc1N[C@H](C)[C@H]1CCCOC1 ZINC000335607329 384378581 /nfs/dbraw/zinc/37/85/81/384378581.db2.gz OOURUOHXAZHAFB-NEPJUHHUSA-N 1 2 220.316 2.617 10 0 BFAELO CCOC(=O)/C=C/CCCCCn1cc[nH+]c1 ZINC000039320271 384675459 /nfs/dbraw/zinc/67/54/59/384675459.db2.gz BFJNVMVQSZYZAB-SOFGYWHQSA-N 1 2 236.315 2.563 10 0 BFAELO CC[C@H]([NH2+][C@@H](C(=O)OC)c1ccccc1)C(C)C ZINC000050507324 384698370 /nfs/dbraw/zinc/69/83/70/384698370.db2.gz TZHLTAQDIHENRN-UONOGXRCSA-N 1 2 249.354 2.925 10 0 BFAELO C(\Cn1cc[nH+]c1)=C1\CCCc2occc21 ZINC000013808213 384872981 /nfs/dbraw/zinc/87/29/81/384872981.db2.gz AHZCDINNUVENGR-NYYWCZLTSA-N 1 2 214.268 2.896 10 0 BFAELO c1cn(CCC2=CCCc3ncccc32)c[nH+]1 ZINC000013808192 384874388 /nfs/dbraw/zinc/87/43/88/384874388.db2.gz DJMSMHXCSIBVSA-UHFFFAOYSA-N 1 2 225.295 2.698 10 0 in-vivo BFAELO C[C@@H]1OCC[C@@H]1Nc1ccc2ccccc2[nH+]1 ZINC000149947925 384954583 /nfs/dbraw/zinc/95/45/83/384954583.db2.gz LFZXAWZRPHDOCJ-JQWIXIFHSA-N 1 2 228.295 2.824 10 0 BFAELO C[C@H]1OCC[C@H]1Nc1ccc2ccccc2[nH+]1 ZINC000149947328 384954678 /nfs/dbraw/zinc/95/46/78/384954678.db2.gz LFZXAWZRPHDOCJ-ZYHUDNBSSA-N 1 2 228.295 2.824 10 0 BFAELO C[C@H]1OCC[C@@H]1Nc1ccc2ccccc2[nH+]1 ZINC000149947725 384955228 /nfs/dbraw/zinc/95/52/28/384955228.db2.gz LFZXAWZRPHDOCJ-PWSUYJOCSA-N 1 2 228.295 2.824 10 0 BFAELO CC(C)COC[C@@H](C)Nc1cccc[nH+]1 ZINC000301585627 384892729 /nfs/dbraw/zinc/89/27/29/384892729.db2.gz VZUVDZYQTVVKTQ-LLVKDONJSA-N 1 2 208.305 2.555 10 0 BFAELO Cc1cc(C[NH2+][C@@H](C)c2ncc(C)o2)sn1 ZINC000404493119 385019720 /nfs/dbraw/zinc/01/97/20/385019720.db2.gz XMPMEPPWJZOBGF-VIFPVBQESA-N 1 2 237.328 2.599 10 0 BFAELO Cc1cc[nH+]c(N[C@H](C)CF)c1Br ZINC000575580476 386231514 /nfs/dbraw/zinc/23/15/14/386231514.db2.gz UVWGTKOBAOERJB-SSDOTTSWSA-N 1 2 247.111 2.922 10 0 BFAELO Cc1ccc([C@H](C)[NH2+]Cc2coc(C)n2)o1 ZINC000647970870 386432574 /nfs/dbraw/zinc/43/25/74/386432574.db2.gz JKRFHCVYJPDMDF-VIFPVBQESA-N 1 2 220.272 2.735 10 0 BFAELO CSC[C@H](C)N(C)c1cc[nH+]c(C(C)C)n1 ZINC000123167492 386542926 /nfs/dbraw/zinc/54/29/26/386542926.db2.gz LCRPJROZKDJRCZ-JTQLQIEISA-N 1 2 239.388 2.788 10 0 BFAELO CC(C)c1nc(N[C@H](C)[C@H]2CCCO2)cc[nH+]1 ZINC000301214998 386648419 /nfs/dbraw/zinc/64/84/19/386648419.db2.gz ZJNGHEBQXOPZTA-GHMZBOCLSA-N 1 2 235.331 2.579 10 0 BFAELO CO[C@@H]1CCC[C@@H](Nc2cc[nH+]c(C3CC3)n2)C1 ZINC000301758005 386875524 /nfs/dbraw/zinc/87/55/24/386875524.db2.gz FBPKWWWCHITLNW-VXGBXAGGSA-N 1 2 247.342 2.724 10 0 BFAELO Cc1nnc([C@@H](C)[N@@H+]2CCC[C@@H]2c2ccco2)o1 ZINC000116287641 386930314 /nfs/dbraw/zinc/93/03/14/386930314.db2.gz UMNXCOYUKHNBOZ-MWLCHTKSSA-N 1 2 247.298 2.869 10 0 BFAELO Cc1nnc([C@@H](C)[N@H+]2CCC[C@@H]2c2ccco2)o1 ZINC000116287641 386930320 /nfs/dbraw/zinc/93/03/20/386930320.db2.gz UMNXCOYUKHNBOZ-MWLCHTKSSA-N 1 2 247.298 2.869 10 0 BFAELO CCCCCC[N@@H+]1CCCC[C@@H]1c1nnc[nH]1 ZINC000121770367 387406983 /nfs/dbraw/zinc/40/69/83/387406983.db2.gz JDUBOBNMBKJKBS-GFCCVEGCSA-N 1 2 236.363 2.912 10 0 BFAELO CCCCCC[N@H+]1CCCC[C@@H]1c1nnc[nH]1 ZINC000121770367 387407000 /nfs/dbraw/zinc/40/70/00/387407000.db2.gz JDUBOBNMBKJKBS-GFCCVEGCSA-N 1 2 236.363 2.912 10 0 BFAELO CCCCCC[N@@H+]1CCCC[C@@H]1c1nc[nH]n1 ZINC000121770367 387407004 /nfs/dbraw/zinc/40/70/04/387407004.db2.gz JDUBOBNMBKJKBS-GFCCVEGCSA-N 1 2 236.363 2.912 10 0 BFAELO CCCCCC[N@H+]1CCCC[C@@H]1c1nc[nH]n1 ZINC000121770367 387407009 /nfs/dbraw/zinc/40/70/09/387407009.db2.gz JDUBOBNMBKJKBS-GFCCVEGCSA-N 1 2 236.363 2.912 10 0 BFAELO COC(=O)[C@H]([NH2+][C@H](C)[C@H]1C[C@H]1C)c1ccccc1 ZINC000321067377 387943873 /nfs/dbraw/zinc/94/38/73/387943873.db2.gz NBBUUECKJRXCDO-MHDGFBEUSA-N 1 2 247.338 2.535 10 0 BFAELO Cc1cc[nH+]cc1N[C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000566049698 388984525 /nfs/dbraw/zinc/98/45/25/388984525.db2.gz JZOUTNUPDLBFCJ-GDNZZTSVSA-N 1 2 220.316 2.758 10 0 BFAELO Cc1cnc(C[NH2+][C@H]2COc3ccccc32)s1 ZINC000268938079 389005649 /nfs/dbraw/zinc/00/56/49/389005649.db2.gz ZHVUMCGCRHFNPN-NSHDSACASA-N 1 2 246.335 2.675 10 0 BFAELO C[C@@H]1CCC[N@@H+](c2ccccc2C(N)=S)C1 ZINC000020075788 132329533 /nfs/dbraw/zinc/32/95/33/132329533.db2.gz JGVIPDONMFVTCQ-SNVBAGLBSA-N 1 2 234.368 2.557 10 0 BFAELO C[C@@H]1CCC[N@H+](c2ccccc2C(N)=S)C1 ZINC000020075788 132329537 /nfs/dbraw/zinc/32/95/37/132329537.db2.gz JGVIPDONMFVTCQ-SNVBAGLBSA-N 1 2 234.368 2.557 10 0 BFAELO C[C@@H]1C[C@H](C)C[N@H+](c2cccc(N)c2)C1 ZINC000036720274 132342149 /nfs/dbraw/zinc/34/21/49/132342149.db2.gz QHHKGUVAZDDJMB-PHIMTYICSA-N 1 2 204.317 2.751 10 0 BFAELO C[C@@H]1C[C@H](C)C[N@@H+](c2cccc(N)c2)C1 ZINC000036720274 132342150 /nfs/dbraw/zinc/34/21/50/132342150.db2.gz QHHKGUVAZDDJMB-PHIMTYICSA-N 1 2 204.317 2.751 10 0 BFAELO COc1cccc(C[NH2+][C@H](C)c2ncc(C)o2)c1 ZINC000220884153 134316720 /nfs/dbraw/zinc/31/67/20/134316720.db2.gz SAAXIODCGJFZCU-LLVKDONJSA-N 1 2 246.310 2.842 10 0 BFAELO Cc1cc[nH+]cc1N[C@H](C)C1CCOCC1 ZINC000134338608 134708144 /nfs/dbraw/zinc/70/81/44/134708144.db2.gz GNLDGAQMDOHKMC-LLVKDONJSA-N 1 2 220.316 2.617 10 0 BFAELO Cc1ccc([C@@H](C)[NH2+]Cc2nccc(C)n2)o1 ZINC000348255654 136057568 /nfs/dbraw/zinc/05/75/68/136057568.db2.gz RWUOGDRJQKOIHI-LLVKDONJSA-N 1 2 231.299 2.537 10 0 BFAELO COc1ccc[nH+]c1N[C@H](C)c1ncc(C)o1 ZINC000231747196 397935789 /nfs/dbraw/zinc/93/57/89/397935789.db2.gz QRCPAFUFQOIOMV-SECBINFHSA-N 1 2 233.271 2.560 10 0 BFAELO Cc1nc(C[NH2+][C@@H]2COc3ccccc32)cs1 ZINC000070070247 398125232 /nfs/dbraw/zinc/12/52/32/398125232.db2.gz OEUPCBOAQFWBEA-GFCCVEGCSA-N 1 2 246.335 2.675 10 0 BFAELO Cc1nc(C[NH2+][C@H]2COc3ccccc32)cs1 ZINC000070070248 398125377 /nfs/dbraw/zinc/12/53/77/398125377.db2.gz OEUPCBOAQFWBEA-LBPRGKRZSA-N 1 2 246.335 2.675 10 0 BFAELO CC1([NH2+]c2ccc(N)c(C(N)=O)c2)CCCCC1 ZINC000045047684 168064007 /nfs/dbraw/zinc/06/40/07/168064007.db2.gz XHTTUUODNCTVMH-UHFFFAOYSA-N 1 2 247.342 2.502 10 0 BFAELO CC1CCC(Nc2cc(C(N)=S)cc[nH+]2)CC1 ZINC000019805797 168165164 /nfs/dbraw/zinc/16/51/64/168165164.db2.gz DVGSNCCKBHMUAU-UHFFFAOYSA-N 1 2 249.383 2.706 10 0 BFAELO CC1CC[NH+](CC(=O)c2cccc(F)c2)CC1 ZINC000035022774 168179936 /nfs/dbraw/zinc/17/99/36/168179936.db2.gz WJDCNWYBFZQKLC-UHFFFAOYSA-N 1 2 235.302 2.740 10 0 BFAELO CC[NH2+][C@H](c1nnc(C2CC2)o1)c1ccccc1 ZINC000050618076 170148811 /nfs/dbraw/zinc/14/88/11/170148811.db2.gz RFOCWRPKUDDKMH-LBPRGKRZSA-N 1 2 243.310 2.646 10 0 BFAELO CC[NH2+][C@@](C)(C(=O)OCC)c1ccc(C)cc1C ZINC000037447110 170154735 /nfs/dbraw/zinc/15/47/35/170154735.db2.gz SKXKWZFVXQAXKK-OAHLLOKOSA-N 1 2 249.354 2.691 10 0 BFAELO CC[NH2+][C@](C)(C(=O)OCC)c1ccc(C)cc1C ZINC000037447109 170170406 /nfs/dbraw/zinc/17/04/06/170170406.db2.gz SKXKWZFVXQAXKK-HNNXBMFYSA-N 1 2 249.354 2.691 10 0 BFAELO CCNc1cc(C)[nH+]c(Cc2cccs2)n1 ZINC000052901119 170172026 /nfs/dbraw/zinc/17/20/26/170172026.db2.gz LBLWPCASTFTQLT-UHFFFAOYSA-N 1 2 233.340 2.869 10 0 BFAELO CCNc1cc(C)[nH+]c(Cc2ccccc2F)n1 ZINC000050848919 170172539 /nfs/dbraw/zinc/17/25/39/170172539.db2.gz RRDBLJJKDKFKKI-UHFFFAOYSA-N 1 2 245.301 2.947 10 0 BFAELO CCNc1ccc(CSc2ncccn2)c[nH+]1 ZINC000050837411 170173452 /nfs/dbraw/zinc/17/34/52/170173452.db2.gz KIOPIKSZEZKPEO-UHFFFAOYSA-N 1 2 246.339 2.596 10 0 BFAELO CC[NH2+]c1ccc(N2CCCC2)c(F)c1 ZINC000037781016 170174029 /nfs/dbraw/zinc/17/40/29/170174029.db2.gz SRUZJAKESFMJMW-UHFFFAOYSA-N 1 2 208.280 2.858 10 0 BFAELO CCNc1nc(C2CC2)[nH+]c(C)c1CC ZINC000050849538 170176393 /nfs/dbraw/zinc/17/63/93/170176393.db2.gz ZLMYDWHUJKNMHU-UHFFFAOYSA-N 1 2 205.305 2.657 10 0 BFAELO CCNc1nc(NC(C)C)c2ccccc2[nH+]1 ZINC000128204202 170176699 /nfs/dbraw/zinc/17/66/99/170176699.db2.gz LBDMWFHVQVZEBZ-UHFFFAOYSA-N 1 2 230.315 2.882 10 0 BFAELO CCOC(=O)[C@@H]([NH2+][C@@H](C)CC)c1ccccc1C ZINC000038067637 170255191 /nfs/dbraw/zinc/25/51/91/170255191.db2.gz YVZHBVMJADUBGG-JSGCOSHPSA-N 1 2 249.354 2.987 10 0 BFAELO CCOC(=O)[C@@](C)([NH2+]C(C)C)c1ccc(C)cc1 ZINC000037446204 170261830 /nfs/dbraw/zinc/26/18/30/170261830.db2.gz PWMCWJCIXKXSDX-HNNXBMFYSA-N 1 2 249.354 2.771 10 0 BFAELO CCOC(=O)[C@H]([NH3+])c1cccc(Cl)c1Cl ZINC000033613335 170276764 /nfs/dbraw/zinc/27/67/64/170276764.db2.gz UHHYUSLSBOJVHY-SECBINFHSA-N 1 2 248.109 2.556 10 0 BFAELO CCOC(=O)[C@H]([NH2+]CC1CC1)c1ccccc1C ZINC000037968230 170277142 /nfs/dbraw/zinc/27/71/42/170277142.db2.gz CMVHRKBYELUGDN-CQSZACIVSA-N 1 2 247.338 2.599 10 0 BFAELO CC[C@@H](C(=O)c1ccccc1)n1cc[nH+]c1 ZINC000037340558 170673100 /nfs/dbraw/zinc/67/31/00/170673100.db2.gz SBHYVRMBRSZXGF-LBPRGKRZSA-N 1 2 214.268 2.717 10 0 BFAELO CC[C@H](C)[NH2+][C@@H](C(=O)OC)c1cc(C)ccc1C ZINC000049670966 171345083 /nfs/dbraw/zinc/34/50/83/171345083.db2.gz LKWWMXWBTBBDNM-GXTWGEPZSA-N 1 2 249.354 2.906 10 0 BFAELO CCc1cc(NC)nc(-c2cccc(F)c2)[nH+]1 ZINC000050850934 171765668 /nfs/dbraw/zinc/76/56/68/171765668.db2.gz FURGYPFEIBVHBE-UHFFFAOYSA-N 1 2 231.274 2.887 10 0 BFAELO CCc1[nH+]c2ccc(Cl)cc2n1CCOC ZINC000040404598 172012202 /nfs/dbraw/zinc/01/22/02/172012202.db2.gz WRORJNUTPOGKNL-UHFFFAOYSA-N 1 2 238.718 2.899 10 0 BFAELO CCc1[nH+]c2ccccc2n1[C@@H]1CCC[C@H]1O ZINC000060285897 172013297 /nfs/dbraw/zinc/01/32/97/172013297.db2.gz AJSQCWVRANPJEV-CHWSQXEVSA-N 1 2 230.311 2.685 10 0 BFAELO CCc1[nH+]c2ccccc2n1C[C@H]1CCCO1 ZINC000040390096 172013731 /nfs/dbraw/zinc/01/37/31/172013731.db2.gz ZRUYHIGKFBMQIL-LLVKDONJSA-N 1 2 230.311 2.778 10 0 BFAELO CCc1[nH+]c2ccccc2n1[C@H]1CCC[C@H]1O ZINC000060285899 172014281 /nfs/dbraw/zinc/01/42/81/172014281.db2.gz AJSQCWVRANPJEV-QWHCGFSZSA-N 1 2 230.311 2.685 10 0 BFAELO COC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(C)cc1C ZINC000037074018 173787553 /nfs/dbraw/zinc/78/75/53/173787553.db2.gz BIDPCRXZAXEWRT-RYUDHWBXSA-N 1 2 235.327 2.516 10 0 BFAELO COc1cc(NCc2ccccc2)ccc1[NH3+] ZINC000104230722 175003400 /nfs/dbraw/zinc/00/34/00/175003400.db2.gz PHBOWZGYDMYBKW-UHFFFAOYSA-N 1 2 228.295 2.890 10 0 BFAELO COc1ccc(-c2nc(N)cc(C)[nH+]2)cc1Cl ZINC000071571505 175038776 /nfs/dbraw/zinc/03/87/76/175038776.db2.gz KSIXAHZROGSECY-UHFFFAOYSA-N 1 2 249.701 2.696 10 0 BFAELO COc1ccc(Cl)c(NCc2c[nH+]c[nH]2)c1 ZINC000054765250 175118763 /nfs/dbraw/zinc/11/87/63/175118763.db2.gz OMMIAPFHXFTFCT-UHFFFAOYSA-N 1 2 237.690 2.684 10 0 BFAELO COc1ccc(Cl)c(NCc2c[nH]c[nH+]2)c1 ZINC000054765250 175118764 /nfs/dbraw/zinc/11/87/64/175118764.db2.gz OMMIAPFHXFTFCT-UHFFFAOYSA-N 1 2 237.690 2.684 10 0 BFAELO COc1ccc2c(C)[nH+]ccc2c1OC ZINC000143212271 175204950 /nfs/dbraw/zinc/20/49/50/175204950.db2.gz AEINAJLQHYWFMJ-UHFFFAOYSA-N 1 2 203.241 2.560 10 0 BFAELO CS[C@@H]1C=C(OC2CC2)C=C(OC(C)C)[NH2+]1 ZINC000095733457 175547342 /nfs/dbraw/zinc/54/73/42/175547342.db2.gz UXEVWYDPLYIOGQ-GFCCVEGCSA-N 1 2 241.356 2.608 10 0 BFAELO C[C@@H](c1ccc(F)cc1)[NH+]1CCC(=O)CC1 ZINC000019728823 176014919 /nfs/dbraw/zinc/01/49/19/176014919.db2.gz JPLYVJGTOBCVEW-JTQLQIEISA-N 1 2 221.275 2.552 10 0 BFAELO C[C@H]1[C@@H](C)[N@H+](Cc2ccccc2)CC(=O)[C@H]1C ZINC000068593100 176043450 /nfs/dbraw/zinc/04/34/50/176043450.db2.gz DVDWJFDLDUYNRK-FRRDWIJNSA-N 1 2 231.339 2.732 10 0 BFAELO C[C@H]1[C@@H](C)[N@@H+](Cc2ccccc2)CC(=O)[C@H]1C ZINC000068593100 176043452 /nfs/dbraw/zinc/04/34/52/176043452.db2.gz DVDWJFDLDUYNRK-FRRDWIJNSA-N 1 2 231.339 2.732 10 0 BFAELO C[C@@H]1CCCC[C@@H]1Nc1[nH+]cccc1C(N)=S ZINC000019805723 176081440 /nfs/dbraw/zinc/08/14/40/176081440.db2.gz CJFIAWAYLVCDNO-KOLCDFICSA-N 1 2 249.383 2.706 10 0 BFAELO C[C@@H]1CCC[C@@H](OCc2ccc[nH+]c2N)C1 ZINC000052755165 176124971 /nfs/dbraw/zinc/12/49/71/176124971.db2.gz UHQWWHQSUPFQQU-ZYHUDNBSSA-N 1 2 220.316 2.759 10 0 BFAELO C[C@H](c1ccc(N)cc1)[N@H+](C)Cc1cscn1 ZINC000042859914 177034067 /nfs/dbraw/zinc/03/40/67/177034067.db2.gz SHCGFUZOPAGVHS-SNVBAGLBSA-N 1 2 247.367 2.918 10 0 BFAELO C[C@H](c1ccc(N)cc1)[N@@H+](C)Cc1cscn1 ZINC000042859914 177034070 /nfs/dbraw/zinc/03/40/70/177034070.db2.gz SHCGFUZOPAGVHS-SNVBAGLBSA-N 1 2 247.367 2.918 10 0 BFAELO C[C@H]1CCCC[C@@H]1Nc1cc(C(N)=S)cc[nH+]1 ZINC000019805733 177083212 /nfs/dbraw/zinc/08/32/12/177083212.db2.gz FLKFTGPEINXHPJ-ONGXEEELSA-N 1 2 249.383 2.706 10 0 BFAELO C[C@H]1CCCC[C@@H]1Nc1[nH+]cccc1C(N)=S ZINC000019805725 177083819 /nfs/dbraw/zinc/08/38/19/177083819.db2.gz CJFIAWAYLVCDNO-ONGXEEELSA-N 1 2 249.383 2.706 10 0 BFAELO C[C@H]1CCCC[C@@H]1OCc1ccc(N)[nH+]c1 ZINC000050831668 177084563 /nfs/dbraw/zinc/08/45/63/177084563.db2.gz GTOAQFPNTYVFLS-JQWIXIFHSA-N 1 2 220.316 2.759 10 0 BFAELO C[C@H]1CCC[C@H](Nc2cc(C(N)=S)cc[nH+]2)C1 ZINC000037256832 177138195 /nfs/dbraw/zinc/13/81/95/177138195.db2.gz KCPBVTZZVLPXIK-ONGXEEELSA-N 1 2 249.383 2.706 10 0 BFAELO C[C@H]1CCC[C@H](c2nc(N)c3c([nH+]2)CCC3)C1 ZINC000050844743 177139217 /nfs/dbraw/zinc/13/92/17/177139217.db2.gz PFYUDOIPQGTLKM-UWVGGRQHSA-N 1 2 231.343 2.841 10 0 BFAELO C[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1=O ZINC000101417686 177309521 /nfs/dbraw/zinc/30/95/21/177309521.db2.gz CZWYZABAEYBOPQ-AGIUHOORSA-N 1 2 231.339 2.875 10 0 BFAELO C[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1=O ZINC000101417686 177309522 /nfs/dbraw/zinc/30/95/22/177309522.db2.gz CZWYZABAEYBOPQ-AGIUHOORSA-N 1 2 231.339 2.875 10 0 BFAELO C[C@@H]1C[C@H](C)C[N@H+]([C@@H](C[NH3+])c2cccs2)C1 ZINC000019795940 177315114 /nfs/dbraw/zinc/31/51/14/177315114.db2.gz XTFZCWAPCWICTP-TUAOUCFPSA-N 1 2 238.400 2.726 10 0 BFAELO C[C@H]1C[C@@H]1Nc1cc[nH+]c(C(C)(C)C)n1 ZINC000301502596 177350807 /nfs/dbraw/zinc/35/08/07/177350807.db2.gz FODZZEODXPWHPP-IUCAKERBSA-N 1 2 205.305 2.594 10 0 BFAELO CCc1cnc(C[NH2+][C@H](C)c2ccc(C)o2)o1 ZINC000230630350 491130463 /nfs/dbraw/zinc/13/04/63/491130463.db2.gz RWPNWQNXRNUBIK-SNVBAGLBSA-N 1 2 234.299 2.989 10 0 BFAELO CSC[C@H](C)[NH2+]c1ccc2c(c1)CCN2C ZINC000757126688 582502267 /nfs/dbraw/zinc/50/22/67/582502267.db2.gz GMUNXNCGHDLUQO-JTQLQIEISA-N 1 2 236.384 2.842 10 0 BFAELO CC[C@H](COC)[NH2+]c1ccc2c(c1)CCN2C ZINC000757128281 582503124 /nfs/dbraw/zinc/50/31/24/582503124.db2.gz KDDQMVOBCYXBQO-GFCCVEGCSA-N 1 2 234.343 2.516 10 0 BFAELO CCNc1ccc(N2CCCCC2)[nH+]c1 ZINC000036988696 535525507 /nfs/dbraw/zinc/52/55/07/535525507.db2.gz IKUBKKDKELEGTG-UHFFFAOYSA-N 1 2 205.305 2.504 10 0 BFAELO CCC[C@@H]1C[C@@H]1Nc1cc(CC)[nH+]cn1 ZINC000231662665 566313758 /nfs/dbraw/zinc/31/37/58/566313758.db2.gz BRQRUSWXSSMPTN-KOLCDFICSA-N 1 2 205.305 2.640 10 0 BFAELO C[C@H]1C[C@H](C)n2c3ccccc3[nH+]c2N1 ZINC000235684297 582601711 /nfs/dbraw/zinc/60/17/11/582601711.db2.gz YYMPUGYNFQCYPV-IUCAKERBSA-N 1 2 201.273 2.801 10 0 BFAELO CCc1nc([C@H]2[NH2+]CCc3ccoc32)cs1 ZINC000701336393 582916735 /nfs/dbraw/zinc/91/67/35/582916735.db2.gz MKYNPRGRYGFLOQ-LLVKDONJSA-N 1 2 234.324 2.534 10 0 BFAELO Cc1nc([C@H]2[NH2+]CCc3sccc32)cs1 ZINC000397207923 583098959 /nfs/dbraw/zinc/09/89/59/583098959.db2.gz BYTBTHGJZNYUSS-NSHDSACASA-N 1 2 236.365 2.748 10 0 BFAELO CC(C)Cc1nc2[nH]ccc2c(NC2CC2)[nH+]1 ZINC000757569634 586366885 /nfs/dbraw/zinc/36/68/85/586366885.db2.gz UFUGCJMOFQOIQV-UHFFFAOYSA-N 1 2 230.315 2.731 10 0 BFAELO CCCC[NH2+]c1ccc2c(c1)CCN2C ZINC000757131916 586426472 /nfs/dbraw/zinc/42/64/72/586426472.db2.gz QMSZVPMZNAQTJD-UHFFFAOYSA-N 1 2 204.317 2.891 10 0 BFAELO C[C@H]1CCC[C@]2(CC1)[NH2+]CC(F)(F)CO2 ZINC000757144007 586428016 /nfs/dbraw/zinc/42/80/16/586428016.db2.gz FQUQZHGPNSATIQ-ONGXEEELSA-N 1 2 219.275 2.538 10 0 BFAELO CC(C)[C@H]1CCC[C@]2(C1)[NH2+]CC(F)(F)CO2 ZINC000757152838 586429267 /nfs/dbraw/zinc/42/92/67/586429267.db2.gz UELWAWUJLMUROH-JQWIXIFHSA-N 1 2 233.302 2.784 10 0 BFAELO CCC(=O)c1ccc(-n2c[nH+]c(C)c2)cc1 ZINC000201745761 589116769 /nfs/dbraw/zinc/11/67/69/589116769.db2.gz CRBWPKMATVXNBY-UHFFFAOYSA-N 1 2 214.268 2.773 10 0 BFAELO O=Cc1ccc(-c2cccc3[nH+]ccn32)cc1 ZINC000128045451 590885258 /nfs/dbraw/zinc/88/52/58/590885258.db2.gz LGDPKLRKAITJHA-UHFFFAOYSA-N 1 2 222.247 2.814 10 0 BFAELO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2cn(C)cn2)o1 ZINC000710012151 712240571 /nfs/dbraw/zinc/24/05/71/712240571.db2.gz GHMQLSNLBCDSRP-WDEREUQCSA-N 1 2 233.315 2.733 10 0 BFAELO Cc1cc([NH+](C)C)ccc1NC1CCC(O)CC1 ZINC000234237683 178095300 /nfs/dbraw/zinc/09/53/00/178095300.db2.gz NCWLKTBQETZVIS-UHFFFAOYSA-N 1 2 248.370 2.776 10 0 BFAELO Cc1cc(N(C)C)ccc1[NH2+]C1CCC(O)CC1 ZINC000234237683 178095302 /nfs/dbraw/zinc/09/53/02/178095302.db2.gz NCWLKTBQETZVIS-UHFFFAOYSA-N 1 2 248.370 2.776 10 0 BFAELO Cc1cc(N)ccc1SCCn1cc[nH+]c1 ZINC000037193861 178106387 /nfs/dbraw/zinc/10/63/87/178106387.db2.gz ZYHXKSWUDQLWBS-UHFFFAOYSA-N 1 2 233.340 2.566 10 0 BFAELO Cc1cc([NH3+])ccc1NC[C@H](O)c1ccccc1 ZINC000035600121 178106837 /nfs/dbraw/zinc/10/68/37/178106837.db2.gz UDAXGZCFDITATK-HNNXBMFYSA-N 1 2 242.322 2.723 10 0 BFAELO Cc1cc([NH3+])ccc1NCc1ccccn1 ZINC000034978366 178107453 /nfs/dbraw/zinc/10/74/53/178107453.db2.gz HUJRNRVNPRJNFM-UHFFFAOYSA-N 1 2 213.284 2.584 10 0 BFAELO Cc1cc([NH3+])ccc1NC[C@@H](O)c1ccccc1 ZINC000035600122 178107500 /nfs/dbraw/zinc/10/75/00/178107500.db2.gz UDAXGZCFDITATK-OAHLLOKOSA-N 1 2 242.322 2.723 10 0 BFAELO Cc1cc(N2CC[C@H]3CCCC[C@H]32)nc[nH+]1 ZINC000301250557 178119995 /nfs/dbraw/zinc/11/99/95/178119995.db2.gz RPUWUZZLIPPJPV-VXGBXAGGSA-N 1 2 217.316 2.554 10 0 BFAELO Cc1cc(NCCCCC(F)(F)F)nc[nH+]1 ZINC000122318488 178157603 /nfs/dbraw/zinc/15/76/03/178157603.db2.gz VHPANSSYPPLWSJ-UHFFFAOYSA-N 1 2 233.237 2.930 10 0 BFAELO Cc1cc(NC[C@@H](C)Nc2ccccc2)nc[nH+]1 ZINC000301587758 178165100 /nfs/dbraw/zinc/16/51/00/178165100.db2.gz WMHWLLKCNDHADN-GFCCVEGCSA-N 1 2 242.326 2.698 10 0 BFAELO Cc1cc([NH2+]CCc2ccccn2)ccc1N ZINC000035277583 178163356 /nfs/dbraw/zinc/16/33/56/178163356.db2.gz MQEYLQGIRXARQS-UHFFFAOYSA-N 1 2 227.311 2.627 10 0 BFAELO Cc1ccc([C@@H](C)Nc2cc(C)[nH+]cn2)o1 ZINC000040727410 178187833 /nfs/dbraw/zinc/18/78/33/178187833.db2.gz IRGYXUUPAWLWGI-SNVBAGLBSA-N 1 2 217.272 2.860 10 0 BFAELO Cc1cc2[nH+]c[nH]c2cc1C(F)(F)F ZINC000095922451 178276725 /nfs/dbraw/zinc/27/67/25/178276725.db2.gz JBWGORSCIJBHBE-UHFFFAOYSA-N 1 2 200.163 2.890 10 0 BFAELO Cc1cc2[nH+]c(CCO)n(CC(C)C)c2cc1C ZINC000040310654 178302007 /nfs/dbraw/zinc/30/20/07/178302007.db2.gz ZZZJMDQENZCVJM-UHFFFAOYSA-N 1 2 246.354 2.844 10 0 BFAELO Cc1cc2[nH+]cn([C@@H]3CCC[C@@H]3O)c2cc1C ZINC000037490375 178305968 /nfs/dbraw/zinc/30/59/68/178305968.db2.gz HRZKIHZHQSTAIP-OCCSQVGLSA-N 1 2 230.311 2.739 10 0 BFAELO Cc1ccc(-c2[nH]c3ccc(N)cc3[nH+]2)c(C)n1 ZINC000055330972 178337647 /nfs/dbraw/zinc/33/76/47/178337647.db2.gz XFGJDHWPYQLLLC-UHFFFAOYSA-N 1 2 238.294 2.824 10 0 BFAELO c1[nH]nnc1[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000616612786 349580427 /nfs/dbraw/zinc/58/04/27/349580427.db2.gz NKLUIAWDDPMGNQ-CQSZACIVSA-N 1 2 242.326 2.532 10 0 BFAELO c1[nH]nnc1[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000616612786 349580431 /nfs/dbraw/zinc/58/04/31/349580431.db2.gz NKLUIAWDDPMGNQ-CQSZACIVSA-N 1 2 242.326 2.532 10 0 BFAELO c1nn[nH]c1[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000616612786 349580435 /nfs/dbraw/zinc/58/04/35/349580435.db2.gz NKLUIAWDDPMGNQ-CQSZACIVSA-N 1 2 242.326 2.532 10 0 BFAELO c1nn[nH]c1[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000616612786 349580438 /nfs/dbraw/zinc/58/04/38/349580438.db2.gz NKLUIAWDDPMGNQ-CQSZACIVSA-N 1 2 242.326 2.532 10 0 BFAELO c1n[nH]nc1[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000616612786 349580442 /nfs/dbraw/zinc/58/04/42/349580442.db2.gz NKLUIAWDDPMGNQ-CQSZACIVSA-N 1 2 242.326 2.532 10 0 BFAELO c1n[nH]nc1[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000616612786 349580445 /nfs/dbraw/zinc/58/04/45/349580445.db2.gz NKLUIAWDDPMGNQ-CQSZACIVSA-N 1 2 242.326 2.532 10 0 BFAELO CC[C@H]([NH2+][C@@H](C)c1ccc(C)c(C)c1)C(=O)OC ZINC000301728965 529651695 /nfs/dbraw/zinc/65/16/95/529651695.db2.gz SGRMPYURCXGKCJ-JSGCOSHPSA-N 1 2 249.354 2.906 10 0 BFAELO c1ccc(N2CC[C@@H](Nc3cccc[nH+]3)C2)cc1 ZINC000301188620 136264806 /nfs/dbraw/zinc/26/48/06/136264806.db2.gz LCZGTLYNWYVOGU-CYBMUJFWSA-N 1 2 239.322 2.772 10 0 BFAELO c1ccc(N2CC[C@H](Nc3cccc[nH+]3)C2)cc1 ZINC000301188622 136264963 /nfs/dbraw/zinc/26/49/63/136264963.db2.gz LCZGTLYNWYVOGU-ZDUSSCGKSA-N 1 2 239.322 2.772 10 0 BFAELO CC(C)N(c1ccc([C@@H](C)O)c[nH+]1)C(C)C ZINC000584880167 343080450 /nfs/dbraw/zinc/08/04/50/343080450.db2.gz CINDDVUSWCDVTC-LLVKDONJSA-N 1 2 222.332 2.758 10 0 BFAELO CN1c2ccccc2CC[C@H]1c1cc[nH+]c(N)c1 ZINC000616669544 343534221 /nfs/dbraw/zinc/53/42/21/343534221.db2.gz KDKPMNXIEGUDDX-AWEZNQCLSA-N 1 2 239.322 2.618 10 0 BFAELO Cc1ccc2[nH+]c(-c3cccnc3)cn2c1 ZINC000228011272 343793704 /nfs/dbraw/zinc/79/37/04/343793704.db2.gz GGSSGLHOECMDJB-UHFFFAOYSA-N 1 2 209.252 2.705 10 0 BFAELO c1cn2[nH]c(C3CC3)c(-c3ccccn3)c2[nH+]1 ZINC000409438057 343849257 /nfs/dbraw/zinc/84/92/57/343849257.db2.gz JZMPLPKFEHKKRQ-UHFFFAOYSA-N 1 2 224.267 2.602 10 0 BFAELO CCc1cc(-c2cccs2)nn1CC(=[NH2+])OC ZINC000409437902 343849442 /nfs/dbraw/zinc/84/94/42/343849442.db2.gz AXUGZQAOUFCKOV-UHFFFAOYSA-N 1 2 249.339 2.798 10 0 BFAELO Nc1cccc([C@H]2CCNc3ccccc32)[nH+]1 ZINC000616590101 349878211 /nfs/dbraw/zinc/87/82/11/349878211.db2.gz ULPMUTJVRRHHDM-NSHDSACASA-N 1 2 225.295 2.611 10 0 BFAELO COC(=[NH2+])Cn1nc(-c2cccs2)cc1C ZINC000409440262 343851303 /nfs/dbraw/zinc/85/13/03/343851303.db2.gz LUBOZSRBISNQAL-UHFFFAOYSA-N 1 2 235.312 2.544 10 0 BFAELO Fc1cccc([C@H]2[NH2+]CCCC2(F)F)c1 ZINC000220218836 344109156 /nfs/dbraw/zinc/10/91/56/344109156.db2.gz AMIYDZJZZOQSKZ-SNVBAGLBSA-N 1 2 215.218 2.886 10 0 BFAELO C[C@H]1C[N@H+](Cc2nc3ccccc3[nH]2)CCS1 ZINC000131396428 344276689 /nfs/dbraw/zinc/27/66/89/344276689.db2.gz AFYLLOKDQDKTKK-JTQLQIEISA-N 1 2 247.367 2.500 10 0 BFAELO C[C@H]1C[N@@H+](Cc2nc3ccccc3[nH]2)CCS1 ZINC000131396428 344276690 /nfs/dbraw/zinc/27/66/90/344276690.db2.gz AFYLLOKDQDKTKK-JTQLQIEISA-N 1 2 247.367 2.500 10 0 BFAELO Cc1noc([C@H](C)[NH2+][C@@H](C)c2cccs2)n1 ZINC000309424789 347059965 /nfs/dbraw/zinc/05/99/65/347059965.db2.gz KGMCHHCKZXZAQT-YUMQZZPRSA-N 1 2 237.328 2.851 10 0 BFAELO Brc1ccccc1[C@H]1[NH2+]CCS1 ZINC000050522830 344706367 /nfs/dbraw/zinc/70/63/67/344706367.db2.gz LOFDXLRTOXUARD-VIFPVBQESA-N 1 2 244.157 2.784 10 0 BFAELO CC/C=C\CC[N@@H+]1CCCC[C@@H]1c1nnc[nH]1 ZINC000583363207 344816973 /nfs/dbraw/zinc/81/69/73/344816973.db2.gz UPHMCFXFRKMFRN-VSQXVHSFSA-N 1 2 234.347 2.688 10 0 BFAELO CC/C=C\CC[N@H+]1CCCC[C@@H]1c1nnc[nH]1 ZINC000583363207 344816974 /nfs/dbraw/zinc/81/69/74/344816974.db2.gz UPHMCFXFRKMFRN-VSQXVHSFSA-N 1 2 234.347 2.688 10 0 BFAELO CC/C=C\CC[N@@H+]1CCCC[C@@H]1c1nc[nH]n1 ZINC000583363207 344816976 /nfs/dbraw/zinc/81/69/76/344816976.db2.gz UPHMCFXFRKMFRN-VSQXVHSFSA-N 1 2 234.347 2.688 10 0 BFAELO CC/C=C\CC[N@H+]1CCCC[C@@H]1c1nc[nH]n1 ZINC000583363207 344816978 /nfs/dbraw/zinc/81/69/78/344816978.db2.gz UPHMCFXFRKMFRN-VSQXVHSFSA-N 1 2 234.347 2.688 10 0 BFAELO [NH3+][C@@H](c1c(F)cccc1Cl)C(F)F ZINC000238639490 345098941 /nfs/dbraw/zinc/09/89/41/345098941.db2.gz CELQJHOOVYMXRR-ZETCQYMHSA-N 1 2 209.598 2.744 10 0 BFAELO Cc1[nH]c(-c2c(C)cccc2N)[nH+]c1C ZINC000042414864 179119622 /nfs/dbraw/zinc/11/96/22/179119622.db2.gz NNFOGOFXFIWFKO-UHFFFAOYSA-N 1 2 201.273 2.584 10 0 BFAELO CC[C@@H](Nc1ccc(C)[nH+]c1)c1cnn(C)c1 ZINC000182908020 347111283 /nfs/dbraw/zinc/11/12/83/347111283.db2.gz MKNRILMHTPGGOS-CYBMUJFWSA-N 1 2 230.315 2.687 10 0 BFAELO Clc1n[nH]c2c1CC[N@H+](Cc1ccccc1)C2 ZINC000026461053 187391624 /nfs/dbraw/zinc/39/16/24/187391624.db2.gz SFPAAEUUKGDLSB-UHFFFAOYSA-N 1 2 247.729 2.621 10 0 BFAELO Clc1n[nH]c2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000026461053 187391625 /nfs/dbraw/zinc/39/16/25/187391625.db2.gz SFPAAEUUKGDLSB-UHFFFAOYSA-N 1 2 247.729 2.621 10 0 BFAELO Cc1nc([C@@H]([NH3+])c2csc3ccccc23)no1 ZINC000054465691 180040816 /nfs/dbraw/zinc/04/08/16/180040816.db2.gz QTJZVDKCWAOYRH-NSHDSACASA-N 1 2 245.307 2.641 10 0 BFAELO Cc1[nH+]c2ccccc2n1-c1ccccc1CO ZINC000040177257 180101336 /nfs/dbraw/zinc/10/13/36/180101336.db2.gz IFFOSMLPLZJVSE-UHFFFAOYSA-N 1 2 238.290 2.826 10 0 BFAELO Cc1[nH+]c2ccccc2n1Cc1cccc(N)c1 ZINC000019265408 180104473 /nfs/dbraw/zinc/10/44/73/180104473.db2.gz OFAHRJGCXHQLFW-UHFFFAOYSA-N 1 2 237.306 2.975 10 0 BFAELO Cc1[nH+]c[nH]c1CNc1cccc(Cl)c1 ZINC000039415361 180121622 /nfs/dbraw/zinc/12/16/22/180121622.db2.gz JLKKQYHQLJKLPE-UHFFFAOYSA-N 1 2 221.691 2.984 10 0 BFAELO Cc1ncc(CNc2ccc([NH3+])cc2C)s1 ZINC000040997404 180161194 /nfs/dbraw/zinc/16/11/94/180161194.db2.gz VCKXLBJLXRFYAG-UHFFFAOYSA-N 1 2 233.340 2.954 10 0 BFAELO Cc1[nH+]cccc1N[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC000085711570 180227261 /nfs/dbraw/zinc/22/72/61/180227261.db2.gz FBIZENHLIVCDPP-DMDPSCGWSA-N 1 2 202.301 2.991 10 0 BFAELO Nc1ccc([NH+]2CCCCC2)cc1OC(F)F ZINC000725265108 538092913 /nfs/dbraw/zinc/09/29/13/538092913.db2.gz FWKOWEJLDGUJLT-UHFFFAOYSA-N 1 2 242.269 2.861 10 0 BFAELO Cc1ccc([C@H]([NH3+])C(F)F)c(F)c1F ZINC000226553863 350440161 /nfs/dbraw/zinc/44/01/61/350440161.db2.gz ORTYCBWEADCNPA-QMMMGPOBSA-N 1 2 207.170 2.538 10 0 BFAELO CCN1c2ccccc2CC[C@H]1c1c[nH+]c[nH]1 ZINC000616594774 350597035 /nfs/dbraw/zinc/59/70/35/350597035.db2.gz RZSFKMFLIQVIPU-AWEZNQCLSA-N 1 2 227.311 2.924 10 0 BFAELO CCN1c2ccccc2CC[C@H]1c1c[nH]c[nH+]1 ZINC000616594774 350597038 /nfs/dbraw/zinc/59/70/38/350597038.db2.gz RZSFKMFLIQVIPU-AWEZNQCLSA-N 1 2 227.311 2.924 10 0 BFAELO CC[C@@H]1CS[C@@H](c2nc(C)cs2)[NH2+]1 ZINC000159623173 350955744 /nfs/dbraw/zinc/95/57/44/350955744.db2.gz ZVIXIFDQPKTOFJ-APPZFPTMSA-N 1 2 214.359 2.565 10 0 BFAELO CC[N@@H+]1CCOC[C@@H]1c1ccc2ccccc2n1 ZINC000616636103 351123899 /nfs/dbraw/zinc/12/38/99/351123899.db2.gz ANEPVRJAWPGJKE-OAHLLOKOSA-N 1 2 242.322 2.628 10 0 BFAELO CC[N@H+]1CCOC[C@@H]1c1ccc2ccccc2n1 ZINC000616636103 351123900 /nfs/dbraw/zinc/12/39/00/351123900.db2.gz ANEPVRJAWPGJKE-OAHLLOKOSA-N 1 2 242.322 2.628 10 0 BFAELO CN1c2ccccc2CC[C@@H]1c1ccc(N)[nH+]c1 ZINC000616670619 351233321 /nfs/dbraw/zinc/23/33/21/351233321.db2.gz ZRYKYCVERUJADZ-CQSZACIVSA-N 1 2 239.322 2.618 10 0 BFAELO CN1C[C@@H](Nc2cccc[nH+]2)Cc2ccccc21 ZINC000616672285 351234979 /nfs/dbraw/zinc/23/49/79/351234979.db2.gz HCDDXGHCQDEKIS-ZDUSSCGKSA-N 1 2 239.322 2.555 10 0 BFAELO CN1c2ccccc2CC[C@H]1c1[nH]cc[nH+]1 ZINC000616671910 351237308 /nfs/dbraw/zinc/23/73/08/351237308.db2.gz XMYVISLRVOPYEC-LBPRGKRZSA-N 1 2 213.284 2.533 10 0 BFAELO Cc1cnc([C@@H]2[NH2+]C(C)(C)CS2)s1 ZINC000307089414 351472457 /nfs/dbraw/zinc/47/24/57/351472457.db2.gz VAOBKQIJVNSBMI-MRVPVSSYSA-N 1 2 214.359 2.565 10 0 BFAELO Cc1cc([C@H]2CCCC(=O)C2)c[nH+]c1C ZINC000307170182 351544172 /nfs/dbraw/zinc/54/41/72/351544172.db2.gz KELAJWYPBLTNNL-NSHDSACASA-N 1 2 203.285 2.925 10 0 BFAELO CSC[C@@H](C)N(C)c1cc[nH+]c(C2CC2)n1 ZINC000123162795 187530991 /nfs/dbraw/zinc/53/09/91/187530991.db2.gz LINQAJVWPVUXJI-SECBINFHSA-N 1 2 237.372 2.542 10 0 BFAELO Cc1cc[nH+]c(C)c1N[C@H](C)C(F)F ZINC000307296652 351906764 /nfs/dbraw/zinc/90/67/64/351906764.db2.gz SEDVELTYOPCUAR-MRVPVSSYSA-N 1 2 200.232 2.764 10 0 BFAELO CCn1c[nH+]c([C@@H]2CCCCCC2=O)c1 ZINC000307415495 352589739 /nfs/dbraw/zinc/58/97/39/352589739.db2.gz JXGBIXYJHYHOER-JTQLQIEISA-N 1 2 206.289 2.520 10 0 BFAELO Cc1cnc([C@@H]2[NH2+][C@H](C)CCS2)s1 ZINC000307028715 353050245 /nfs/dbraw/zinc/05/02/45/353050245.db2.gz NCFVDXAJKUNNAV-HZGVNTEJSA-N 1 2 214.359 2.565 10 0 BFAELO CCOC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(C)cc1C ZINC000049368224 188086136 /nfs/dbraw/zinc/08/61/36/188086136.db2.gz ZYNZWAVXELMVDQ-CHWSQXEVSA-N 1 2 249.354 2.906 10 0 BFAELO C[C@@H](c1ccc(F)cc1)[N@@H+]1CCC(=O)C[C@@H]1C ZINC000049713734 188125416 /nfs/dbraw/zinc/12/54/16/188125416.db2.gz OPPMFAUZEREVLI-QWRGUYRKSA-N 1 2 235.302 2.940 10 0 BFAELO C[C@@H](c1ccc(F)cc1)[N@H+]1CCC(=O)C[C@@H]1C ZINC000049713734 188125417 /nfs/dbraw/zinc/12/54/17/188125417.db2.gz OPPMFAUZEREVLI-QWRGUYRKSA-N 1 2 235.302 2.940 10 0 BFAELO CCc1[nH+]ccc(OC2CC2)c1SC ZINC000095725249 188146648 /nfs/dbraw/zinc/14/66/48/188146648.db2.gz APUKWZBAAAESAC-UHFFFAOYSA-N 1 2 209.314 2.907 10 0 BFAELO Cc1cnc([C@H](C)Nc2cccc[nH+]2)o1 ZINC000235544868 363447192 /nfs/dbraw/zinc/44/71/92/363447192.db2.gz VXMMFOSUDVPNAC-VIFPVBQESA-N 1 2 203.245 2.551 10 0 BFAELO NC(Nc1ccccc1)=[NH+]OCc1ccccc1 ZINC000303401265 363433547 /nfs/dbraw/zinc/43/35/47/363433547.db2.gz LWPCYDCTLLCMOX-UHFFFAOYSA-N 1 2 241.294 2.755 10 0 BFAELO Nc1ccc(Sc2ccccc2)c[nH+]1 ZINC000019869329 355362746 /nfs/dbraw/zinc/36/27/46/355362746.db2.gz CCZKQXORAMBPSJ-UHFFFAOYSA-N 1 2 202.282 2.815 10 0 BFAELO c1cn(C[C@H]2CCC3(CCCCC3)O2)c[nH+]1 ZINC000191838188 357808487 /nfs/dbraw/zinc/80/84/87/357808487.db2.gz WMJRTQKNMXLIOE-GFCCVEGCSA-N 1 2 220.316 2.765 10 0 BFAELO COc1ccc([C@@H](C)n2cc[nH+]c2)cc1 ZINC000584612817 358276191 /nfs/dbraw/zinc/27/61/91/358276191.db2.gz OZESYXGIZQXWFW-SNVBAGLBSA-N 1 2 202.257 2.501 10 0 BFAELO COc1ccc(/C=C\n2cc[nH+]c2)cc1 ZINC000584611065 358274980 /nfs/dbraw/zinc/27/49/80/358274980.db2.gz MTDZTVUULMAWEG-VURMDHGXSA-N 1 2 200.241 2.520 10 0 BFAELO Cc1cc[nH+]c(C)c1NC(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000306089589 358559657 /nfs/dbraw/zinc/55/96/57/358559657.db2.gz LHEQMRNQZMMUKL-ZSBIGDGJSA-N 1 2 230.311 2.683 10 0 BFAELO CC[C@](C)(CCO)Nc1cc[nH+]c(C(C)C)n1 ZINC000131840020 358697022 /nfs/dbraw/zinc/69/70/22/358697022.db2.gz VGDGQWOMBBDETF-CYBMUJFWSA-N 1 2 237.347 2.563 10 0 BFAELO C[C@@H]1CC[N@H+](CC(=O)c2ccc(Cl)s2)C1 ZINC000040719198 359914555 /nfs/dbraw/zinc/91/45/55/359914555.db2.gz KFMMUEBRACUPFC-MRVPVSSYSA-N 1 2 243.759 2.926 10 0 BFAELO C[C@@H]1CC[N@@H+](CC(=O)c2ccc(Cl)s2)C1 ZINC000040719198 359914559 /nfs/dbraw/zinc/91/45/59/359914559.db2.gz KFMMUEBRACUPFC-MRVPVSSYSA-N 1 2 243.759 2.926 10 0 BFAELO NC(=S)c1cc[nH+]c(NCCC2CCCC2)c1 ZINC000037741522 181321969 /nfs/dbraw/zinc/32/19/69/181321969.db2.gz SFYCOVKEOLAKSC-UHFFFAOYSA-N 1 2 249.383 2.708 10 0 BFAELO NC(=S)c1ccc[nH+]c1NCCC1CCCC1 ZINC000037741520 181322148 /nfs/dbraw/zinc/32/21/48/181322148.db2.gz FJLLQIRUGXUHOP-UHFFFAOYSA-N 1 2 249.383 2.708 10 0 BFAELO Cc1cnc([C@@H](C)[NH2+]Cc2ccncc2C)o1 ZINC000384868771 367748175 /nfs/dbraw/zinc/74/81/75/367748175.db2.gz QMCQGHPGKIUDAY-LLVKDONJSA-N 1 2 231.299 2.537 10 0 BFAELO Nc1cc(CSc2ccccc2O)cc[nH+]1 ZINC000052756615 181683123 /nfs/dbraw/zinc/68/31/23/181683123.db2.gz CWCXWACIYLJZMD-UHFFFAOYSA-N 1 2 232.308 2.662 10 0 BFAELO Cc1ccc([C@@H]([NH3+])C(F)F)c(F)c1F ZINC000226553857 371696356 /nfs/dbraw/zinc/69/63/56/371696356.db2.gz ORTYCBWEADCNPA-MRVPVSSYSA-N 1 2 207.170 2.538 10 0 BFAELO C[NH2+][C@]1(C(F)(F)F)CCC[C@H](C)[C@@H]1C ZINC000227394174 371855609 /nfs/dbraw/zinc/85/56/09/371855609.db2.gz YLSUUFYFZSIDKJ-XHNCKOQMSA-N 1 2 209.255 2.963 10 0 BFAELO Brc1cccn2c3c([nH+]c12)CCC3 ZINC000228025972 371977552 /nfs/dbraw/zinc/97/75/52/371977552.db2.gz PDYHILSCLFXSJJ-UHFFFAOYSA-N 1 2 237.100 2.586 10 0 BFAELO OC1CCC(Nc2ccc3ccccc3[nH+]2)CC1 ZINC000020550661 183029715 /nfs/dbraw/zinc/02/97/15/183029715.db2.gz JVVCXNYTDCBCAV-UHFFFAOYSA-N 1 2 242.322 2.950 10 0 BFAELO OC1(Cc2cccc3[nH+]ccn32)CCCCC1 ZINC000089201326 183022176 /nfs/dbraw/zinc/02/21/76/183022176.db2.gz OSHQSDZTNDVLCO-UHFFFAOYSA-N 1 2 230.311 2.572 10 0 BFAELO Oc1cccc2c1CCC[C@@H]2c1c[nH]c[nH+]1 ZINC000003826266 183295120 /nfs/dbraw/zinc/29/51/20/183295120.db2.gz URKMLGAUGBZDSY-JTQLQIEISA-N 1 2 214.268 2.584 10 0 BFAELO CCCNc1cccc(-n2cc[nH+]c2)c1 ZINC000036940153 169295091 /nfs/dbraw/zinc/29/50/91/169295091.db2.gz RATGRRDRFVGHGX-UHFFFAOYSA-N 1 2 201.273 2.694 10 0 BFAELO CCCNc1[nH+]cnc2c1cnn2CCC(C)C ZINC000062367387 169296664 /nfs/dbraw/zinc/29/66/64/169296664.db2.gz JKDKLZLPOVFMIV-UHFFFAOYSA-N 1 2 247.346 2.694 10 0 BFAELO CC[C@@H]1CC[N@@H+]1Cc1cnc(Cl)s1 ZINC000292465088 171025225 /nfs/dbraw/zinc/02/52/25/171025225.db2.gz QUBIJLWDOGFIAV-SSDOTTSWSA-N 1 2 216.737 2.781 10 0 BFAELO CC[C@@H]1CC[N@H+]1Cc1cnc(Cl)s1 ZINC000292465088 171025228 /nfs/dbraw/zinc/02/52/28/171025228.db2.gz QUBIJLWDOGFIAV-SSDOTTSWSA-N 1 2 216.737 2.781 10 0 BFAELO Cc1cc[nH+]cc1N[C@@H](C)[C@@H]1CCCOC1 ZINC000335607330 384378967 /nfs/dbraw/zinc/37/89/67/384378967.db2.gz OOURUOHXAZHAFB-NWDGAFQWSA-N 1 2 220.316 2.617 10 0 BFAELO CCOCCSCc1[nH+]ccn1C(C)C ZINC000173753567 384718540 /nfs/dbraw/zinc/71/85/40/384718540.db2.gz YZUVZGWGIGQDKJ-UHFFFAOYSA-N 1 2 228.361 2.734 10 0 BFAELO Cc1csc(C[NH2+][C@H]2COc3ccccc32)n1 ZINC000083704845 384792285 /nfs/dbraw/zinc/79/22/85/384792285.db2.gz PRXGZAZQCAQGAM-NSHDSACASA-N 1 2 246.335 2.675 10 0 BFAELO CC(C)n1cc[nH+]c1CS[C@H]1CCO[C@H]1C ZINC000163772230 384858777 /nfs/dbraw/zinc/85/87/77/384858777.db2.gz UFYVINDGJIBUFO-QWRGUYRKSA-N 1 2 240.372 2.875 10 0 BFAELO CC(C)(C)c1ccc([C@H](O)Cn2cc[nH+]c2)cc1 ZINC000027766142 384995595 /nfs/dbraw/zinc/99/55/95/384995595.db2.gz XVDCESAYHTYKTJ-CQSZACIVSA-N 1 2 244.338 2.914 10 0 BFAELO CC(C)n1cc[nH+]c1C[S@@](=O)C1CCCC1 ZINC000177072796 385179166 /nfs/dbraw/zinc/17/91/66/385179166.db2.gz MSRDEDHVJCFBSV-MRXNPFEDSA-N 1 2 240.372 2.655 10 0 BFAELO CCn1cc[nH+]c1CSCc1nccs1 ZINC000161698902 385463760 /nfs/dbraw/zinc/46/37/60/385463760.db2.gz FETWVKXZWVNMOL-UHFFFAOYSA-N 1 2 239.369 2.793 10 0 BFAELO COC(=[NH2+])c1ccc2sc(C)nc2c1 ZINC000211764559 385693482 /nfs/dbraw/zinc/69/34/82/385693482.db2.gz WYJAYIHORZUOLJ-UHFFFAOYSA-N 1 2 206.270 2.576 10 0 BFAELO FC(F)CNc1ccc2ccccc2[nH+]1 ZINC000098000812 386219702 /nfs/dbraw/zinc/21/97/02/386219702.db2.gz KEJCGXVABRCIGN-UHFFFAOYSA-N 1 2 208.211 2.912 10 0 BFAELO CSC[C@H](C)N(C)c1cc[nH+]c(C2CC2)n1 ZINC000123162576 386543554 /nfs/dbraw/zinc/54/35/54/386543554.db2.gz LINQAJVWPVUXJI-VIFPVBQESA-N 1 2 237.372 2.542 10 0 BFAELO CSc1nc2c(cnn2[C@@H]2C[C@H]3C[C@H]3C2)c[nH+]1 ZINC000247537148 386723952 /nfs/dbraw/zinc/72/39/52/386723952.db2.gz QVPBTCKEINOJIM-DIYOJNKTSA-N 1 2 246.339 2.519 10 0 BFAELO CCc1[nH+]c(C)ccc1Oc1ncccc1N ZINC000232200564 386744753 /nfs/dbraw/zinc/74/47/53/386744753.db2.gz RIRXXWZZFSFCQW-UHFFFAOYSA-N 1 2 229.283 2.722 10 0 BFAELO C[C@]([NH3+])(c1ccsc1Cl)C(F)F ZINC000575571702 387743392 /nfs/dbraw/zinc/74/33/92/387743392.db2.gz OBQNEFMHVWUCEJ-ZETCQYMHSA-N 1 2 211.664 2.841 10 0 BFAELO Clc1cc([C@@H]2COCC[NH2+]2)c(Cl)s1 ZINC000306352863 387723319 /nfs/dbraw/zinc/72/33/19/387723319.db2.gz OQEBWBXFMGIOBC-LURJTMIESA-N 1 2 238.139 2.716 10 0 BFAELO CCn1cc[nH+]c1[C@H]1CCCCCC1=O ZINC000069048546 388412400 /nfs/dbraw/zinc/41/24/00/388412400.db2.gz NXZFLTHHNLKFHQ-JTQLQIEISA-N 1 2 206.289 2.520 10 0 BFAELO CCCn1cc[nH+]c1[C@@H]1CCCCC1=O ZINC000069048532 388412425 /nfs/dbraw/zinc/41/24/25/388412425.db2.gz DXGNAAOZSRYXCJ-SNVBAGLBSA-N 1 2 206.289 2.520 10 0 BFAELO CNc1cc(-c2cc(C)ccc2Cl)[nH+]c(N)n1 ZINC000223267021 388584656 /nfs/dbraw/zinc/58/46/56/388584656.db2.gz BXKJWPODYUXTBN-UHFFFAOYSA-N 1 2 248.717 2.729 10 0 BFAELO C[C@@H]1CCCC[N@@H+]1c1ccccc1C(N)=S ZINC000020075655 132329378 /nfs/dbraw/zinc/32/93/78/132329378.db2.gz DGOIBTNWJNSXPY-SNVBAGLBSA-N 1 2 234.368 2.700 10 0 BFAELO C[C@@H]1CCCC[N@H+]1c1ccccc1C(N)=S ZINC000020075655 132329379 /nfs/dbraw/zinc/32/93/79/132329379.db2.gz DGOIBTNWJNSXPY-SNVBAGLBSA-N 1 2 234.368 2.700 10 0 BFAELO C[C@H]1C[C@H](C)C[NH+](c2ccccc2C(N)=S)C1 ZINC000020077038 132329718 /nfs/dbraw/zinc/32/97/18/132329718.db2.gz XXVUSSVWGUCQNF-QWRGUYRKSA-N 1 2 248.395 2.803 10 0 BFAELO Cc1ccc(N2CCc3c(N)cccc3C2)[nH+]c1 ZINC000038032944 132345828 /nfs/dbraw/zinc/34/58/28/132345828.db2.gz DKYOSCRRYYVWAB-UHFFFAOYSA-N 1 2 239.322 2.535 10 0 BFAELO Cc1cnc([C@H](C)[NH2+]Cc2cncc(C)c2)o1 ZINC000220957802 134315074 /nfs/dbraw/zinc/31/50/74/134315074.db2.gz AZKIHZWXQAWPNO-NSHDSACASA-N 1 2 231.299 2.537 10 0 BFAELO Cc1cnc([C@H](C)[NH2+]Cc2ccsc2)o1 ZINC000220907679 134315288 /nfs/dbraw/zinc/31/52/88/134315288.db2.gz UYKIUHVQPYATHD-VIFPVBQESA-N 1 2 222.313 2.895 10 0 BFAELO COc1ccc(C[NH2+][C@@H](C)c2ncc(C)o2)cc1 ZINC000220881339 134316633 /nfs/dbraw/zinc/31/66/33/134316633.db2.gz PDBMRRLATTZVMU-NSHDSACASA-N 1 2 246.310 2.842 10 0 BFAELO C[C@@H]1C[C@@H]1C[N@@H+]1CCCc2c(N)cccc21 ZINC000261740201 135249207 /nfs/dbraw/zinc/24/92/07/135249207.db2.gz IKDLJUXWLNGAED-GHMZBOCLSA-N 1 2 216.328 2.677 10 0 BFAELO C[C@@H]1C[C@@H]1C[N@H+]1CCCc2c(N)cccc21 ZINC000261740201 135249209 /nfs/dbraw/zinc/24/92/09/135249209.db2.gz IKDLJUXWLNGAED-GHMZBOCLSA-N 1 2 216.328 2.677 10 0 BFAELO C[C@@H]1C[C@H]1C[N@@H+]1CCCc2c(N)cccc21 ZINC000261740202 135249410 /nfs/dbraw/zinc/24/94/10/135249410.db2.gz IKDLJUXWLNGAED-MNOVXSKESA-N 1 2 216.328 2.677 10 0 BFAELO C[C@@H]1C[C@H]1C[N@H+]1CCCc2c(N)cccc21 ZINC000261740202 135249411 /nfs/dbraw/zinc/24/94/11/135249411.db2.gz IKDLJUXWLNGAED-MNOVXSKESA-N 1 2 216.328 2.677 10 0 BFAELO c1ccc(C[NH2+]N2CC3CCC2CC3)cc1 ZINC000584624834 398079673 /nfs/dbraw/zinc/07/96/73/398079673.db2.gz AJGRTKHYFNCELC-UHFFFAOYSA-N 1 2 216.328 2.566 10 0 BFAELO C[C@@H]1C[NH2+]C[C@H]([NH2+][C@@H]2CCCc3ccccc32)C1 ZINC000401884593 411168238 /nfs/dbraw/zinc/16/82/38/411168238.db2.gz SHCYALFQCHZXNI-JGGQBBKZSA-N 1 2 244.382 2.652 10 0 BFAELO CC1CCC(OCc2ccc(N)[nH+]c2)CC1 ZINC000050831955 168168295 /nfs/dbraw/zinc/16/82/95/168168295.db2.gz YBHCGPRTPSXKMI-UHFFFAOYSA-N 1 2 220.316 2.759 10 0 BFAELO CC[C@H]1C[C@H](Nc2c[nH+]ccc2C)CCO1 ZINC000069891309 411507811 /nfs/dbraw/zinc/50/78/11/411507811.db2.gz MMTCCHLPAFUXCR-NEPJUHHUSA-N 1 2 220.316 2.760 10 0 BFAELO CCNc1cc[nH+]c(C2CCCCC2)n1 ZINC000050852875 170175727 /nfs/dbraw/zinc/17/57/27/170175727.db2.gz RBPNSMBLHGNUCE-UHFFFAOYSA-N 1 2 205.305 2.956 10 0 BFAELO CCOC(=O)C[NH2+][C@H](C)c1ccc(C)cc1C ZINC000037563606 170227168 /nfs/dbraw/zinc/22/71/68/170227168.db2.gz CKYMOJHEJDKOPA-GFCCVEGCSA-N 1 2 235.327 2.517 10 0 BFAELO CCOC(=O)C[NH2+][C@H]1CCCCc2ccccc21 ZINC000037563514 170227456 /nfs/dbraw/zinc/22/74/56/170227456.db2.gz WDNHPHCSEBMYPV-AWEZNQCLSA-N 1 2 247.338 2.607 10 0 BFAELO CCOC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(C)cc1C ZINC000049368221 170268202 /nfs/dbraw/zinc/26/82/02/170268202.db2.gz ZYNZWAVXELMVDQ-STQMWFEESA-N 1 2 249.354 2.906 10 0 BFAELO CCOC(=O)[C@H]([NH3+])c1cc(Cl)cc(Cl)c1 ZINC000037459935 170276525 /nfs/dbraw/zinc/27/65/25/170276525.db2.gz INFLZDRYQJJHJD-SECBINFHSA-N 1 2 248.109 2.556 10 0 BFAELO CCOC(=O)[C@](C)([NH2+]C(C)C)c1ccc(C)cc1 ZINC000037446203 170284289 /nfs/dbraw/zinc/28/42/89/170284289.db2.gz PWMCWJCIXKXSDX-OAHLLOKOSA-N 1 2 249.354 2.771 10 0 BFAELO CCOCCCNc1ccc2cc(N)ccc2[nH+]1 ZINC000035060539 170383745 /nfs/dbraw/zinc/38/37/45/170383745.db2.gz APPHSMMBQIWCRX-UHFFFAOYSA-N 1 2 245.326 2.656 10 0 BFAELO CC[C@@H]1C[C@@H]1Nc1nc(C)[nH+]c2c1CCCC2 ZINC000302066600 171123930 /nfs/dbraw/zinc/12/39/30/171123930.db2.gz WHVKODBUHXPBTE-MFKMUULPSA-N 1 2 231.343 2.874 10 0 BFAELO CCc1cnc([C@@H](C)Nc2cc(C)[nH+]cn2)s1 ZINC000134927534 171919897 /nfs/dbraw/zinc/91/98/97/171919897.db2.gz JYVBDFKMCFCYEW-SECBINFHSA-N 1 2 248.355 2.977 10 0 BFAELO CCc1nc(N)c(-c2ccccc2Cl)c[nH+]1 ZINC000061675434 172015349 /nfs/dbraw/zinc/01/53/49/172015349.db2.gz AGNHOVNLNDYFPA-UHFFFAOYSA-N 1 2 233.702 2.942 10 0 BFAELO CCn1cc([C@@H](C)Nc2ccc[nH+]c2C)cn1 ZINC000091496117 172195022 /nfs/dbraw/zinc/19/50/22/172195022.db2.gz PRJLMFDNYOJBAA-SNVBAGLBSA-N 1 2 230.315 2.780 10 0 BFAELO CN(Cc1ccsc1)c1ccc(C(N)=[NH2+])cc1 ZINC000035719271 172908227 /nfs/dbraw/zinc/90/82/27/172908227.db2.gz AMFNOUKYHRKGCY-UHFFFAOYSA-N 1 2 245.351 2.669 10 0 BFAELO C[N@@H+]1CCc2ccc(Cl)c(Cl)c2C1 ZINC000039109810 173171661 /nfs/dbraw/zinc/17/16/61/173171661.db2.gz CKQGPXVHWWVFPA-UHFFFAOYSA-N 1 2 216.111 2.981 10 0 in-vitro BFAELO C[N@H+]1CCc2ccc(Cl)c(Cl)c2C1 ZINC000039109810 173171663 /nfs/dbraw/zinc/17/16/63/173171663.db2.gz CKQGPXVHWWVFPA-UHFFFAOYSA-N 1 2 216.111 2.981 10 0 in-vitro BFAELO COc1cc([NH2+][C@@H](C)Cc2ccco2)ccc1N ZINC000104237096 175003598 /nfs/dbraw/zinc/00/35/98/175003598.db2.gz APYYAEYBBDYAPP-JTQLQIEISA-N 1 2 246.310 2.914 10 0 BFAELO COc1ccc(Cl)c2c(N)c3c([nH+]c12)CCC3 ZINC000050869636 175118769 /nfs/dbraw/zinc/11/87/69/175118769.db2.gz KFCBKSKEWPNPHO-UHFFFAOYSA-N 1 2 248.713 2.968 10 0 BFAELO COc1ccc2c(c1)CCC[C@@H]2c1c[nH]c[nH+]1 ZINC000003826262 175207919 /nfs/dbraw/zinc/20/79/19/175207919.db2.gz PDZOBADSVBKQKE-ZDUSSCGKSA-N 1 2 228.295 2.887 10 0 BFAELO COc1ccc2c(c1)CCC[C@H]2c1c[nH]c[nH+]1 ZINC000000021284 175208718 /nfs/dbraw/zinc/20/87/18/175208718.db2.gz PDZOBADSVBKQKE-CYBMUJFWSA-N 1 2 228.295 2.887 10 0 BFAELO COc1ccc2c(c1)[C@H](c1c[nH]c[nH+]1)CCC2 ZINC000013765317 175217168 /nfs/dbraw/zinc/21/71/68/175217168.db2.gz IKGOFDYUYWMHRI-GFCCVEGCSA-N 1 2 228.295 2.887 10 0 BFAELO COc1ccccc1N(C)c1[nH+]cc(N)cc1C ZINC000052813466 175336148 /nfs/dbraw/zinc/33/61/48/175336148.db2.gz CHBXIAHNBOYUKQ-UHFFFAOYSA-N 1 2 243.310 2.749 10 0 BFAELO COc1ccccc1[C@H](C)[NH2+]Cc1cnc(C)[nH]1 ZINC000054798225 175352347 /nfs/dbraw/zinc/35/23/47/175352347.db2.gz TZNKGVOGXWUKHA-JTQLQIEISA-N 1 2 245.326 2.578 10 0 BFAELO COc1c[nH+]cc(C(C)(C)C)c1OC1CC1 ZINC000095731054 175384391 /nfs/dbraw/zinc/38/43/91/175384391.db2.gz NDINVHCDVKXNNK-UHFFFAOYSA-N 1 2 221.300 2.929 10 0 BFAELO C[C@@H](c1ccccc1F)[N@@H+]1CCC(=O)C[C@H]1C ZINC000049713935 176024596 /nfs/dbraw/zinc/02/45/96/176024596.db2.gz VDOSIIRATNZLCZ-MNOVXSKESA-N 1 2 235.302 2.940 10 0 BFAELO C[C@@H](c1ccccc1F)[N@H+]1CCC(=O)C[C@H]1C ZINC000049713935 176024598 /nfs/dbraw/zinc/02/45/98/176024598.db2.gz VDOSIIRATNZLCZ-MNOVXSKESA-N 1 2 235.302 2.940 10 0 BFAELO C[C@@H]1CCC[C@@H](N(C)c2[nH+]cccc2CO)C1 ZINC000042494293 176121199 /nfs/dbraw/zinc/12/11/99/176121199.db2.gz MKWDOGMANHGIGU-DGCLKSJQSA-N 1 2 234.343 2.589 10 0 BFAELO C[C@H](C1CC1)n1c2ccc(N)cc2[nH+]c1[C@H](C)O ZINC000053736363 177018569 /nfs/dbraw/zinc/01/85/69/177018569.db2.gz LPWGQTYJULASCO-BDAKNGLRSA-N 1 2 245.326 2.643 10 0 BFAELO C[C@@H]1C(=O)CC[C@H](C)[N@H+]1Cc1ccccc1 ZINC000068593090 177068561 /nfs/dbraw/zinc/06/85/61/177068561.db2.gz JUVFBCNKSXUBOK-NWDGAFQWSA-N 1 2 217.312 2.629 10 0 BFAELO C[C@@H]1C(=O)CC[C@H](C)[N@@H+]1Cc1ccccc1 ZINC000068593090 177068563 /nfs/dbraw/zinc/06/85/63/177068563.db2.gz JUVFBCNKSXUBOK-NWDGAFQWSA-N 1 2 217.312 2.629 10 0 BFAELO C[C@H]1CCCC[C@@H]1Oc1cc[nH+]cc1N ZINC000020370758 177084690 /nfs/dbraw/zinc/08/46/90/177084690.db2.gz SMUPJAHDHDOTTI-ONGXEEELSA-N 1 2 206.289 2.621 10 0 BFAELO C[C@H]1CCCC[C@H]1OC(=O)[C@@H]([NH3+])c1ccccc1 ZINC000135069701 177089397 /nfs/dbraw/zinc/08/93/97/177089397.db2.gz KNEVLTTVIHFIHJ-YUTCNCBUSA-N 1 2 247.338 2.808 10 0 BFAELO C[C@H]1CCCC[C@H]1OCc1ccc[nH+]c1N ZINC000052754804 177090397 /nfs/dbraw/zinc/09/03/97/177090397.db2.gz QAISFIDFOLIAGO-CMPLNLGQSA-N 1 2 220.316 2.759 10 0 BFAELO C[C@H]1CCC[N@@H+]1CC(=O)c1cc(F)ccc1F ZINC000037911547 177109303 /nfs/dbraw/zinc/10/93/03/177109303.db2.gz MNLHEVGFFDPLMF-VIFPVBQESA-N 1 2 239.265 2.632 10 0 BFAELO C[C@H]1CCC[N@H+]1CC(=O)c1cc(F)ccc1F ZINC000037911547 177109304 /nfs/dbraw/zinc/10/93/04/177109304.db2.gz MNLHEVGFFDPLMF-VIFPVBQESA-N 1 2 239.265 2.632 10 0 BFAELO C[C@H]1CCC[C@@H](OCc2ccc[nH+]c2N)C1 ZINC000052755166 177123374 /nfs/dbraw/zinc/12/33/74/177123374.db2.gz UHQWWHQSUPFQQU-CMPLNLGQSA-N 1 2 220.316 2.759 10 0 BFAELO C[C@H]1CN(c2[nH]c3ccccc3[nH+]2)CCS1 ZINC000134940902 177278186 /nfs/dbraw/zinc/27/81/86/177278186.db2.gz HHFWDFFGICVDOP-VIFPVBQESA-N 1 2 233.340 2.505 10 0 BFAELO C[C@H]([NH2+]Cc1ccno1)c1cc(F)ccc1F ZINC000223646741 491137941 /nfs/dbraw/zinc/13/79/41/491137941.db2.gz PBLGGQJICBCQEX-QMMMGPOBSA-N 1 2 238.237 2.804 10 0 BFAELO CCCn1cc[nH+]c1-c1ccc(N)cc1 ZINC000037974180 582675309 /nfs/dbraw/zinc/67/53/09/582675309.db2.gz SBNXWIMALZDSHP-UHFFFAOYSA-N 1 2 201.273 2.542 10 0 BFAELO CC[C@@H]([NH2+][C@H](C)c1ccc(C)c(C)c1)C(=O)OC ZINC000301728967 529205808 /nfs/dbraw/zinc/20/58/08/529205808.db2.gz SGRMPYURCXGKCJ-TZMCWYRMSA-N 1 2 249.354 2.906 10 0 BFAELO CC[C@H]1CO[C@H](C)CN1c1ccc([NH3+])cc1C ZINC000036131696 536171874 /nfs/dbraw/zinc/17/18/74/536171874.db2.gz AEAXDLSHJNDPJC-YPMHNXCESA-N 1 2 234.343 2.581 10 0 BFAELO Cc1cnc(C[NH2+][C@H]2CCc3ccccc32)o1 ZINC000231638900 566313042 /nfs/dbraw/zinc/31/30/42/566313042.db2.gz GILIJVFASXBYCC-ZDUSSCGKSA-N 1 2 228.295 2.760 10 0 BFAELO c1ccc2c(c1)[nH+]c1n2[C@@H]2CCC[C@@H]2CN1 ZINC000232483405 566491134 /nfs/dbraw/zinc/49/11/34/566491134.db2.gz YJRWDNXDRZEBLW-MWLCHTKSSA-N 1 2 213.284 2.803 10 0 BFAELO CC(C)CCc1nc2[nH]ccc2c(N(C)C)[nH+]1 ZINC000757567509 586462103 /nfs/dbraw/zinc/46/21/03/586462103.db2.gz NRNJNZJVFLNBPU-UHFFFAOYSA-N 1 2 232.331 2.613 10 0 BFAELO FC(F)(F)c1c[nH+]c(NCc2ccoc2)[nH]1 ZINC000309594706 633208346 /nfs/dbraw/zinc/20/83/46/633208346.db2.gz UFJWRTFIYVIHEB-UHFFFAOYSA-N 1 2 231.177 2.634 10 0 BFAELO FC(F)[C@@H]1CCNc2[nH+]c3ccccc3n21 ZINC000236126460 643595616 /nfs/dbraw/zinc/59/56/16/643595616.db2.gz FLAOTNDHFQEQEY-VIFPVBQESA-N 1 2 223.226 2.658 10 0 BFAELO Cc1ccc([C@H](C)[NH2+][C@H](C)c2cn(C)cn2)o1 ZINC000710012145 712240912 /nfs/dbraw/zinc/24/09/12/712240912.db2.gz GHMQLSNLBCDSRP-MNOVXSKESA-N 1 2 233.315 2.733 10 0 BFAELO Nc1cn(Cc2cc(Cl)ccc2Cl)c[nH+]1 ZINC000685964242 538910921 /nfs/dbraw/zinc/91/09/21/538910921.db2.gz VBHNCYONFCWONF-UHFFFAOYSA-N 1 2 242.109 2.820 10 0 BFAELO Nc1cn(Cc2cccc(Cl)c2Cl)c[nH+]1 ZINC000685964179 538911060 /nfs/dbraw/zinc/91/10/60/538911060.db2.gz HNPHHTRDJMIPDZ-UHFFFAOYSA-N 1 2 242.109 2.820 10 0 BFAELO Cc1cc([NH3+])ccc1NCc1ccncc1 ZINC000036950144 178106346 /nfs/dbraw/zinc/10/63/46/178106346.db2.gz KTYISDNGMMGVHI-UHFFFAOYSA-N 1 2 213.284 2.584 10 0 BFAELO Cc1cc([NH3+])ccc1NCc1nccs1 ZINC000041012156 178107200 /nfs/dbraw/zinc/10/72/00/178107200.db2.gz 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187422983 /nfs/dbraw/zinc/42/29/83/187422983.db2.gz BHHHPRAWZQNXSL-UHFFFAOYSA-N 1 2 233.340 2.566 10 0 BFAELO CN1CC[C@H](c2cccc(N)[nH+]2)c2ccccc21 ZINC000616590857 350020268 /nfs/dbraw/zinc/02/02/68/350020268.db2.gz UXCQNDKKYDVUPT-NSHDSACASA-N 1 2 239.322 2.636 10 0 BFAELO Cc1nc([C@H](C)N[C@@H](C)c2[nH]cc[nH+]2)cs1 ZINC000124801526 180050794 /nfs/dbraw/zinc/05/07/94/180050794.db2.gz VLSVPDOIYDOYKG-YUMQZZPRSA-N 1 2 236.344 2.586 10 0 BFAELO Cc1[nH+]c2c(F)c(F)cc(F)c2c(N)c1C ZINC000061122465 180066377 /nfs/dbraw/zinc/06/63/77/180066377.db2.gz URLQUPMTYHHZLR-UHFFFAOYSA-N 1 2 226.201 2.851 10 0 BFAELO Cc1[nH+]c2n(c1Br)CCC[C@H]2C ZINC000049821306 180109438 /nfs/dbraw/zinc/10/94/38/180109438.db2.gz GNWBPZYEQSRFGW-ZCFIWIBFSA-N 1 2 229.121 2.851 10 0 BFAELO Cc1[nH+]c2ccccc2n1CC(=O)c1ccco1 ZINC000034979996 180103896 /nfs/dbraw/zinc/10/38/96/180103896.db2.gz LFPFECCZTYEWBR-UHFFFAOYSA-N 1 2 240.262 2.821 10 0 BFAELO Cc1[nH+]c[nH]c1CNc1ccccc1Cl ZINC000054793814 180121013 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/nfs/dbraw/zinc/25/23/14/351252314.db2.gz YSHZCJMOVYZSEX-ZDUSSCGKSA-N 1 2 242.326 2.791 10 0 BFAELO CC(C)N1C[C@@H](c2c[nH]c[nH+]2)Nc2ccccc21 ZINC000616681873 351252316 /nfs/dbraw/zinc/25/23/16/351252316.db2.gz YSHZCJMOVYZSEX-ZDUSSCGKSA-N 1 2 242.326 2.791 10 0 BFAELO C[NH+](C)CC(=O)c1ccc(Cl)cc1Cl ZINC000034989536 351377025 /nfs/dbraw/zinc/37/70/25/351377025.db2.gz KIAVQGFWJONLOX-UHFFFAOYSA-N 1 2 232.110 2.738 10 0 BFAELO Nc1nc(Nc2ccsc2Cl)cc[nH+]1 ZINC000307020236 351424742 /nfs/dbraw/zinc/42/47/42/351424742.db2.gz SVFDQXLSTJCPIF-UHFFFAOYSA-N 1 2 226.692 2.517 10 0 BFAELO Cc1cnc([C@H]2[NH2+]C(C)(C)CS2)s1 ZINC000307089415 351472265 /nfs/dbraw/zinc/47/22/65/351472265.db2.gz VAOBKQIJVNSBMI-QMMMGPOBSA-N 1 2 214.359 2.565 10 0 BFAELO CC[C@@H]1CS[C@H](c2ncc(C)s2)[NH2+]1 ZINC000307219854 351620522 /nfs/dbraw/zinc/62/05/22/351620522.db2.gz HJNDOEROCWSONN-VXNVDRBHSA-N 1 2 214.359 2.565 10 0 BFAELO O=C1SCC[C@@H]1[NH2+]Cc1ccc(Cl)s1 ZINC000307287443 351849908 /nfs/dbraw/zinc/84/99/08/351849908.db2.gz URBIGZWHSPXQOZ-ZETCQYMHSA-N 1 2 247.772 2.523 10 0 BFAELO O=C1C[C@@H](C2CCC2)[N@H+](Cc2ccccc2)C1 ZINC000725271649 538103456 /nfs/dbraw/zinc/10/34/56/538103456.db2.gz ABUOYHDIGUMXSA-HNNXBMFYSA-N 1 2 229.323 2.630 10 0 BFAELO O=C1C[C@@H](C2CCC2)[N@@H+](Cc2ccccc2)C1 ZINC000725271649 538103457 /nfs/dbraw/zinc/10/34/57/538103457.db2.gz ABUOYHDIGUMXSA-HNNXBMFYSA-N 1 2 229.323 2.630 10 0 BFAELO Cc1ccc(Cl)c([C@@H]([NH3+])C(F)F)c1 ZINC000307371731 352469744 /nfs/dbraw/zinc/46/97/44/352469744.db2.gz UEIMUMMRTGBXCU-MRVPVSSYSA-N 1 2 205.635 2.913 10 0 BFAELO CC[C@H](C)[C@H]1CC(=O)C[N@@H+]1Cc1ccccc1 ZINC000725272303 538104050 /nfs/dbraw/zinc/10/40/50/538104050.db2.gz KMSQZFIHCRMWKK-SWLSCSKDSA-N 1 2 231.339 2.876 10 0 BFAELO CC[C@H](C)[C@H]1CC(=O)C[N@H+]1Cc1ccccc1 ZINC000725272303 538104051 /nfs/dbraw/zinc/10/40/51/538104051.db2.gz KMSQZFIHCRMWKK-SWLSCSKDSA-N 1 2 231.339 2.876 10 0 BFAELO Cc1ncc([C@@H]2[NH2+][C@H](C)CCS2)s1 ZINC000307737515 353098694 /nfs/dbraw/zinc/09/86/94/353098694.db2.gz UZLLOTARSTWPHP-HZGVNTEJSA-N 1 2 214.359 2.565 10 0 BFAELO Cc1ncc([C@@H]2[NH2+]CC[C@@H](C)S2)s1 ZINC000307748930 353126343 /nfs/dbraw/zinc/12/63/43/353126343.db2.gz DUCMAJLUMXQEFN-HZGVNTEJSA-N 1 2 214.359 2.565 10 0 BFAELO C[C@@H]([NH2+]c1ccc(-n2cncn2)cc1)C1(C)CC1 ZINC000037769547 188114821 /nfs/dbraw/zinc/11/48/21/188114821.db2.gz RTWUUHVRPWVWHU-LLVKDONJSA-N 1 2 242.326 2.868 10 0 BFAELO OCc1ccc[nH+]c1N1CCC[C@@H]1C1CCCC1 ZINC000045086279 188123671 /nfs/dbraw/zinc/12/36/71/188123671.db2.gz JDZJLJFOBGELGV-CQSZACIVSA-N 1 2 246.354 2.733 10 0 BFAELO Fc1cccc(F)c1NCCCn1cc[nH+]c1 ZINC000049327892 181001202 /nfs/dbraw/zinc/00/12/02/181001202.db2.gz BBZTZIUAEROXGP-UHFFFAOYSA-N 1 2 237.253 2.664 10 0 BFAELO CCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000129850736 356986723 /nfs/dbraw/zinc/98/67/23/356986723.db2.gz TVKYMTDLLMRVRR-UHFFFAOYSA-N 1 2 239.116 2.968 10 0 BFAELO O=C1CC[NH+](CCc2ccccc2Cl)CC1 ZINC000039384316 358225879 /nfs/dbraw/zinc/22/58/79/358225879.db2.gz SIQFHAQBMXLXPR-UHFFFAOYSA-N 1 2 237.730 2.547 10 0 BFAELO COc1cc2c(cc1OC)C[C@@H](C(C)C)[NH+]=C2 ZINC000584606149 358265189 /nfs/dbraw/zinc/26/51/89/358265189.db2.gz GZWWRSHNSIJSNC-LBPRGKRZSA-N 1 2 233.311 2.703 10 0 BFAELO C[C@H]1CC(Cc2ccccc2)C[C@H](C)N1[NH3+] ZINC000584620924 358288073 /nfs/dbraw/zinc/28/80/73/358288073.db2.gz STZSYLWZTDJHJU-RYUDHWBXSA-N 1 2 218.344 2.592 10 0 BFAELO [NH3+][C@H]1c2c(cc(F)cc2Cl)CC1(F)F ZINC000584618319 358284437 /nfs/dbraw/zinc/28/44/37/358284437.db2.gz UZTAGGSJYLOKOF-QMMMGPOBSA-N 1 2 221.609 2.670 10 0 BFAELO Cc1[nH+]cc(N)cc1-c1cccc(C2COC2)c1 ZINC000584633351 358317012 /nfs/dbraw/zinc/31/70/12/358317012.db2.gz FZLWSXRFFVIDCA-UHFFFAOYSA-N 1 2 240.306 2.753 10 0 BFAELO C[NH2+]C1(C#N)CCC(OCc2ccccc2)CC1 ZINC000113794883 368341881 /nfs/dbraw/zinc/34/18/81/368341881.db2.gz QKAPGQNMASBPCZ-UHFFFAOYSA-N 1 2 244.338 2.628 10 0 BFAELO CC1=[NH+]CCc2c(Br)cccc21 ZINC000115026545 368942119 /nfs/dbraw/zinc/94/21/19/368942119.db2.gz WUTKJZGYMPMUSI-UHFFFAOYSA-N 1 2 224.101 2.814 10 0 BFAELO Nc1cc(Sc2cccs2)cc[nH+]1 ZINC000227673171 371919484 /nfs/dbraw/zinc/91/94/84/371919484.db2.gz LFPPZPLLFTYDRB-UHFFFAOYSA-N 1 2 208.311 2.877 10 0 BFAELO CCNc1nc(CC)[nH+]c(C)c1C(C)C ZINC000061687432 170175866 /nfs/dbraw/zinc/17/58/66/170175866.db2.gz ANDWHZMVZLBMCB-UHFFFAOYSA-N 1 2 207.321 2.903 10 0 BFAELO OCCCCCn1cc[nH+]c1-c1ccccc1 ZINC000051020256 183048171 /nfs/dbraw/zinc/04/81/71/183048171.db2.gz HZQPIMZZQAZRLS-UHFFFAOYSA-N 1 2 230.311 2.713 10 0 BFAELO c1ccn(-c2cccc(NCc3[nH]cc[nH+]3)c2)c1 ZINC000049715295 183359206 /nfs/dbraw/zinc/35/92/06/183359206.db2.gz RQJNQAGHGRIDSR-UHFFFAOYSA-N 1 2 238.294 2.813 10 0 BFAELO CCC[NH2+][C@H](C(=O)OC)c1cc(C)ccc1C ZINC000049670785 169285598 /nfs/dbraw/zinc/28/55/98/169285598.db2.gz GREZCBYHLNHBEU-ZDUSSCGKSA-N 1 2 235.327 2.517 10 0 BFAELO CCCNc1cc(CC)[nH+]c([C@@H]2CCCOC2)n1 ZINC000104305669 169293953 /nfs/dbraw/zinc/29/39/53/169293953.db2.gz WWIGNFHIHQEUIH-LLVKDONJSA-N 1 2 249.358 2.755 10 0 BFAELO CCCNc1nc([C@H]2CCCOC2)[nH+]c(C)c1C ZINC000104307239 169296085 /nfs/dbraw/zinc/29/60/85/169296085.db2.gz SLRNUHBNINRDJF-LBPRGKRZSA-N 1 2 249.358 2.809 10 0 BFAELO CCCNc1[nH+]cccc1Cn1nc(C)cc1C ZINC000052732343 169297265 /nfs/dbraw/zinc/29/72/65/169297265.db2.gz ISSGQVMASGHEJC-UHFFFAOYSA-N 1 2 244.342 2.765 10 0 BFAELO CSCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC000070183979 383880602 /nfs/dbraw/zinc/88/06/02/383880602.db2.gz GDEVWUZIMUHIEV-UHFFFAOYSA-N 1 2 225.361 2.683 10 0 BFAELO Cc1ccc([C@@H](C)[NH2+]Cc2ncnn2C(C)C)o1 ZINC000088589948 383914862 /nfs/dbraw/zinc/91/48/62/383914862.db2.gz RXTWQNUAXUXYNI-LLVKDONJSA-N 1 2 248.330 2.611 10 0 BFAELO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2cnccn2)o1 ZINC000070478251 384114715 /nfs/dbraw/zinc/11/47/15/384114715.db2.gz BEOGDLIRPJVJDN-QWRGUYRKSA-N 1 2 231.299 2.790 10 0 BFAELO Cc1c[nH+]ccc1NC(=O)N[C@H](C)C(C)C ZINC000121753793 384436721 /nfs/dbraw/zinc/43/67/21/384436721.db2.gz MGUSFUWJDSLBKS-SNVBAGLBSA-N 1 2 221.304 2.556 10 0 BFAELO c1nc(C[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)cs1 ZINC000121801958 384439817 /nfs/dbraw/zinc/43/98/17/384439817.db2.gz BXDOYOYHQLNZQN-GFCCVEGCSA-N 1 2 248.355 2.593 10 0 BFAELO c1nc(C[N@H+]2CCCC[C@@H]2c2cn[nH]c2)cs1 ZINC000121801958 384439822 /nfs/dbraw/zinc/43/98/22/384439822.db2.gz BXDOYOYHQLNZQN-GFCCVEGCSA-N 1 2 248.355 2.593 10 0 BFAELO Cc1ccc(C)c(NC(=O)OCn2cc[nH+]c2)c1 ZINC000020357200 384613680 /nfs/dbraw/zinc/61/36/80/384613680.db2.gz QPLFDZQQCRCWKO-UHFFFAOYSA-N 1 2 245.282 2.706 10 0 BFAELO Cc1cc(C)c([NH+]2CCCC2)c(C)c1N ZINC000034481171 384665794 /nfs/dbraw/zinc/66/57/94/384665794.db2.gz WZOOMOPBWZWSJN-UHFFFAOYSA-N 1 2 204.317 2.794 10 0 BFAELO CC/C=C/CC[N@@H+]1CCCC[C@H]1c1nnc[nH]1 ZINC000184707389 384639697 /nfs/dbraw/zinc/63/96/97/384639697.db2.gz UPHMCFXFRKMFRN-PCAWENJQSA-N 1 2 234.347 2.688 10 0 BFAELO CC/C=C/CC[N@H+]1CCCC[C@H]1c1nnc[nH]1 ZINC000184707389 384639707 /nfs/dbraw/zinc/63/97/07/384639707.db2.gz UPHMCFXFRKMFRN-PCAWENJQSA-N 1 2 234.347 2.688 10 0 BFAELO CC/C=C/CC[N@@H+]1CCCC[C@H]1c1nc[nH]n1 ZINC000184707389 384639719 /nfs/dbraw/zinc/63/97/19/384639719.db2.gz UPHMCFXFRKMFRN-PCAWENJQSA-N 1 2 234.347 2.688 10 0 BFAELO CC/C=C/CC[N@H+]1CCCC[C@H]1c1nc[nH]n1 ZINC000184707389 384639726 /nfs/dbraw/zinc/63/97/26/384639726.db2.gz UPHMCFXFRKMFRN-PCAWENJQSA-N 1 2 234.347 2.688 10 0 BFAELO C[C@H]1OCC[C@H]1Nc1cc(C(F)(F)F)cc[nH+]1 ZINC000150067918 384961596 /nfs/dbraw/zinc/96/15/96/384961596.db2.gz VWVXOQSHFFBFQO-VXNVDRBHSA-N 1 2 246.232 2.690 10 0 BFAELO Cc1ccc(Oc2cc(N)cc[nH+]2)cc1 ZINC000043572006 385025682 /nfs/dbraw/zinc/02/56/82/385025682.db2.gz KHYKQCAKIOXWQJ-UHFFFAOYSA-N 1 2 200.241 2.765 10 0 BFAELO CCCCC[S@](=O)Cc1[nH+]ccn1C(C)C ZINC000180549360 385529635 /nfs/dbraw/zinc/52/96/35/385529635.db2.gz LNEILUSJWYZGHQ-INIZCTEOSA-N 1 2 242.388 2.903 10 0 BFAELO CCc1ccc([C@@H](C)[NH2+]Cc2nc(C)no2)cc1 ZINC000037980688 386107335 /nfs/dbraw/zinc/10/73/35/386107335.db2.gz MIECBLMJPJWQFL-SNVBAGLBSA-N 1 2 245.326 2.791 10 0 BFAELO Cc1cnc([C@@H](C)[NH2+][C@H](C)c2cncc(F)c2)o1 ZINC000228578264 387093246 /nfs/dbraw/zinc/09/32/46/387093246.db2.gz NRSBPRWGFPMHMJ-NXEZZACHSA-N 1 2 249.289 2.929 10 0 BFAELO c1nc([C@@H]2CCCC[N@H+]2CC2CCCCC2)n[nH]1 ZINC000121640813 387389863 /nfs/dbraw/zinc/38/98/63/387389863.db2.gz FUBPTPQGUUMLRN-ZDUSSCGKSA-N 1 2 248.374 2.912 10 0 BFAELO c1nc([C@@H]2CCCC[N@@H+]2CC2CCCCC2)n[nH]1 ZINC000121640813 387389868 /nfs/dbraw/zinc/38/98/68/387389868.db2.gz FUBPTPQGUUMLRN-ZDUSSCGKSA-N 1 2 248.374 2.912 10 0 BFAELO CCn1cc[nH+]c1CSCc1cc(C)on1 ZINC000083632133 387417493 /nfs/dbraw/zinc/41/74/93/387417493.db2.gz WEXGMPHCBOSDOH-UHFFFAOYSA-N 1 2 237.328 2.633 10 0 BFAELO O=Cc1ccc(-n2c[nH+]c3c2CCCC3)cc1 ZINC000039641341 387495381 /nfs/dbraw/zinc/49/53/81/387495381.db2.gz FPUDKGHDFSMXQV-UHFFFAOYSA-N 1 2 226.279 2.564 10 0 BFAELO Cc1cnc(SCc2[nH+]ccn2C(C)C)nc1 ZINC000195517486 387923283 /nfs/dbraw/zinc/92/32/83/387923283.db2.gz SNFRSPFCOKIUPS-UHFFFAOYSA-N 1 2 248.355 2.855 10 0 BFAELO C[C@@H](Nc1[nH+]c2ccccc2n1C)[C@H]1CCCO1 ZINC000079044343 387937864 /nfs/dbraw/zinc/93/78/64/387937864.db2.gz WBITUJIUZGKACQ-ZWNOBZJWSA-N 1 2 245.326 2.553 10 0 BFAELO CCCn1cc[nH+]c1[C@H]1CCCCC1=O ZINC000069048533 388412347 /nfs/dbraw/zinc/41/23/47/388412347.db2.gz DXGNAAOZSRYXCJ-JTQLQIEISA-N 1 2 206.289 2.520 10 0 BFAELO CCn1cc[nH+]c1CS[C@@H](C)c1cnccn1 ZINC000185567375 388588814 /nfs/dbraw/zinc/58/88/14/388588814.db2.gz MLYRLUDSMVOURH-JTQLQIEISA-N 1 2 248.355 2.687 10 0 BFAELO CC1CC[NH+](c2ccccc2C(N)=S)CC1 ZINC000020075586 132329342 /nfs/dbraw/zinc/32/93/42/132329342.db2.gz MEKCTWUDRQCXKI-UHFFFAOYSA-N 1 2 234.368 2.557 10 0 BFAELO C[C@H]1CCC[N@H+](c2ccccc2C(N)=S)C1 ZINC000020075790 132329623 /nfs/dbraw/zinc/32/96/23/132329623.db2.gz JGVIPDONMFVTCQ-JTQLQIEISA-N 1 2 234.368 2.557 10 0 BFAELO C[C@H]1CCCC[N@@H+]1c1ccccc1C(N)=S ZINC000020075658 132329371 /nfs/dbraw/zinc/32/93/71/132329371.db2.gz DGOIBTNWJNSXPY-JTQLQIEISA-N 1 2 234.368 2.700 10 0 BFAELO C[C@H]1CCCC[N@H+]1c1ccccc1C(N)=S ZINC000020075658 132329372 /nfs/dbraw/zinc/32/93/72/132329372.db2.gz DGOIBTNWJNSXPY-JTQLQIEISA-N 1 2 234.368 2.700 10 0 BFAELO C[C@H]1CCC[N@@H+](c2ccccc2C(N)=S)C1 ZINC000020075790 132329620 /nfs/dbraw/zinc/32/96/20/132329620.db2.gz JGVIPDONMFVTCQ-JTQLQIEISA-N 1 2 234.368 2.557 10 0 BFAELO CCn1ccnc1C[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000172027034 134264212 /nfs/dbraw/zinc/26/42/12/134264212.db2.gz LCYLVURMSVERKS-GFCCVEGCSA-N 1 2 245.326 2.833 10 0 BFAELO CCn1ccnc1C[N@H+]1CCC[C@@H]1c1ccco1 ZINC000172027034 134264213 /nfs/dbraw/zinc/26/42/13/134264213.db2.gz LCYLVURMSVERKS-GFCCVEGCSA-N 1 2 245.326 2.833 10 0 BFAELO Cc1cc[nH+]c(C)c1NC(=O)N1C[C@H]2CCC[C@H]21 ZINC000334457187 135415402 /nfs/dbraw/zinc/41/54/02/135415402.db2.gz IEWLLFXZEWHHJW-VXGBXAGGSA-N 1 2 245.326 2.715 10 0 BFAELO CC(C)CNc1ccc2cc(N)ccc2[nH+]1 ZINC000035343259 167016188 /nfs/dbraw/zinc/01/61/88/167016188.db2.gz KUYWQXYFDDMJKZ-UHFFFAOYSA-N 1 2 215.300 2.885 10 0 BFAELO CC(C)CNc1ccc2[nH+]cccc2c1N ZINC000037377472 167016291 /nfs/dbraw/zinc/01/62/91/167016291.db2.gz ATQZMHOCXKNHRT-UHFFFAOYSA-N 1 2 215.300 2.885 10 0 BFAELO C[C@@H]1C[NH2+]C[C@@H]([NH2+][C@H]2CCCc3ccccc32)C1 ZINC000401884594 411168186 /nfs/dbraw/zinc/16/81/86/411168186.db2.gz SHCYALFQCHZXNI-NOLJZWGESA-N 1 2 244.382 2.652 10 0 BFAELO CC1CCC(N(C)c2cccc(CO)[nH+]2)CC1 ZINC000051042002 168160423 /nfs/dbraw/zinc/16/04/23/168160423.db2.gz GWWRTGFFVXIKNL-UHFFFAOYSA-N 1 2 234.343 2.589 10 0 BFAELO CC1CCC(OCc2cc[nH+]c(N)c2)CC1 ZINC000052754938 168168317 /nfs/dbraw/zinc/16/83/17/168168317.db2.gz YNOFTMVHSUMEFC-UHFFFAOYSA-N 1 2 220.316 2.759 10 0 BFAELO CC[NH2+][C@@](C)(C(=O)OCC)c1ccc(CC)cc1 ZINC000037447060 170154692 /nfs/dbraw/zinc/15/46/92/170154692.db2.gz LWVPMNYRFMUDPB-OAHLLOKOSA-N 1 2 249.354 2.637 10 0 BFAELO CCNc1cc2[nH+]ccn2cc1Br ZINC000089202457 170172747 /nfs/dbraw/zinc/17/27/47/170172747.db2.gz TVXLJXZORJEUBZ-UHFFFAOYSA-N 1 2 240.104 2.529 10 0 BFAELO CCNc1ncccc1C[N@H+](C)Cc1ccco1 ZINC000052720399 170177946 /nfs/dbraw/zinc/17/79/46/170177946.db2.gz MYPVGKOXVHGNHC-UHFFFAOYSA-N 1 2 245.326 2.738 10 0 BFAELO CCNc1ncccc1C[N@@H+](C)Cc1ccco1 ZINC000052720399 170177947 /nfs/dbraw/zinc/17/79/47/170177947.db2.gz MYPVGKOXVHGNHC-UHFFFAOYSA-N 1 2 245.326 2.738 10 0 BFAELO CCOC(=O)[C@@H]([NH2+][C@@H](C)CC)c1ccc(C)cc1 ZINC000038067641 170255344 /nfs/dbraw/zinc/25/53/44/170255344.db2.gz OOYLWAXOCPKGRI-JSGCOSHPSA-N 1 2 249.354 2.987 10 0 BFAELO CCOC(=O)[C@H](C)[NH2+][C@H]1CCCc2ccccc21 ZINC000049370069 170268708 /nfs/dbraw/zinc/26/87/08/170268708.db2.gz IDRHJIUZKGCRFZ-FZMZJTMJSA-N 1 2 247.338 2.605 10 0 BFAELO CCOC(=O)[C@H]([NH2+][C@H](C)CC)c1cccc(C)c1 ZINC000038067554 170277650 /nfs/dbraw/zinc/27/76/50/170277650.db2.gz HUCATPNSYDLJNM-TZMCWYRMSA-N 1 2 249.354 2.987 10 0 BFAELO CCOC(=O)[C@](C)([NH2+][C@@H](C)CC)c1ccccc1 ZINC000038067741 170284162 /nfs/dbraw/zinc/28/41/62/170284162.db2.gz PZFLQGVHJYBEOE-SWLSCSKDSA-N 1 2 249.354 2.853 10 0 BFAELO CCOC(=O)[C@](C)(CC)[NH2+]Cc1ccccc1 ZINC000037952654 170284402 /nfs/dbraw/zinc/28/44/02/170284402.db2.gz LOZWJFVQRUWBPG-AWEZNQCLSA-N 1 2 235.327 2.508 10 0 BFAELO CCOCCn1c2ccccc2[nH+]c1C1CC1 ZINC000040231694 170429093 /nfs/dbraw/zinc/42/90/93/170429093.db2.gz LXHAONYDHHZPAJ-UHFFFAOYSA-N 1 2 230.311 2.950 10 0 BFAELO CC[C@H](C)N(CCOC)c1ccc([NH3+])cc1C ZINC000058989145 171314724 /nfs/dbraw/zinc/31/47/24/171314724.db2.gz ULWZOVMVYXNKJD-LBPRGKRZSA-N 1 2 236.359 2.829 10 0 BFAELO CC[C@H](C)[NH2+][C@@H](C(=O)OC)c1ccccc1C ZINC000038066947 171344743 /nfs/dbraw/zinc/34/47/43/171344743.db2.gz ZOWOQDUUPYPGJA-WCQYABFASA-N 1 2 235.327 2.597 10 0 BFAELO CC[C@H](C)[NH2+][C@H](C(=O)OC)c1ccc(C)cc1C ZINC000038066869 171348013 /nfs/dbraw/zinc/34/80/13/171348013.db2.gz MESAZHZWTORCFE-JSGCOSHPSA-N 1 2 249.354 2.906 10 0 BFAELO CCc1[nH+]c2ccccc2n1CCCC(C)=O ZINC000062807760 172013340 /nfs/dbraw/zinc/01/33/40/172013340.db2.gz SPIJESXGKIBMAE-UHFFFAOYSA-N 1 2 230.311 2.968 10 0 BFAELO CCc1[nH+]c2ccccc2n1[C@@H]1CCC[C@@H]1O ZINC000060285894 172013477 /nfs/dbraw/zinc/01/34/77/172013477.db2.gz AJSQCWVRANPJEV-OLZOCXBDSA-N 1 2 230.311 2.685 10 0 BFAELO COc1ccc[nH+]c1N[C@@H](C)c1cccc(O)c1 ZINC000383467100 487624260 /nfs/dbraw/zinc/62/42/60/487624260.db2.gz JHVHTXZURPPHIN-JTQLQIEISA-N 1 2 244.294 2.969 10 0 BFAELO CCn1cc[nH+]c1CSCc1ccco1 ZINC000128556091 172226080 /nfs/dbraw/zinc/22/60/80/172226080.db2.gz OPOFAJJEDYLIGZ-UHFFFAOYSA-N 1 2 222.313 2.929 10 0 BFAELO C[NH+](C)/C=C\c1nc2ccccc2s1 ZINC000095829682 172351657 /nfs/dbraw/zinc/35/16/57/172351657.db2.gz QWNOLXNQHADUHK-FPLPWBNLSA-N 1 2 204.298 2.829 10 0 BFAELO CNc1cc(C(C)C)[nH+]c(Cc2cccnc2)n1 ZINC000053132875 173472594 /nfs/dbraw/zinc/47/25/94/173472594.db2.gz DZXVPGQPUAZBAN-UHFFFAOYSA-N 1 2 242.326 2.628 10 0 BFAELO CNc1[nH+]c(C(C)(C)C)ccc1OC1CC1 ZINC000095730375 173485578 /nfs/dbraw/zinc/48/55/78/173485578.db2.gz VROWLUMFXOYCTF-UHFFFAOYSA-N 1 2 220.316 2.962 10 0 BFAELO COCCN(c1ccc([NH3+])cc1C)[C@H](C)C1CC1 ZINC000059001898 174302151 /nfs/dbraw/zinc/30/21/51/174302151.db2.gz XUNKSUVLBZKINP-GFCCVEGCSA-N 1 2 248.370 2.829 10 0 BFAELO CO[C@H]1CCC[C@@H]1Nc1ccc([NH3+])cc1C ZINC000050368811 174882408 /nfs/dbraw/zinc/88/24/08/174882408.db2.gz CWKPBQDWRCZYOP-STQMWFEESA-N 1 2 220.316 2.557 10 0 BFAELO COc1c(OC2CC2)c[nH+]cc1C(C)(C)C ZINC000095728427 174935356 /nfs/dbraw/zinc/93/53/56/174935356.db2.gz MNSPWIPRCLQDKM-UHFFFAOYSA-N 1 2 221.300 2.929 10 0 BFAELO COc1ccc([NH2+]C2CCC2)c(OC)c1 ZINC000044479894 175149315 /nfs/dbraw/zinc/14/93/15/175149315.db2.gz IQARJVMEGBDFRN-UHFFFAOYSA-N 1 2 207.273 2.668 10 0 BFAELO COc1ccc([NH2+]C2CCOCC2)cc1C ZINC000049528459 175149698 /nfs/dbraw/zinc/14/96/98/175149698.db2.gz HXPHVDSXQRMHIE-UHFFFAOYSA-N 1 2 221.300 2.595 10 0 BFAELO COc1ccc([NH2+]C[C@@H]2CCCOC2)cc1C ZINC000104317279 175151836 /nfs/dbraw/zinc/15/18/36/175151836.db2.gz ONAMAZCAIGLYQZ-LBPRGKRZSA-N 1 2 235.327 2.842 10 0 BFAELO COc1ccc2c(c1)C[C@H](C(C)C)C[NH2+]2 ZINC000011633309 175211058 /nfs/dbraw/zinc/21/10/58/175211058.db2.gz JUPSTCXLRFVYBY-NSHDSACASA-N 1 2 205.301 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CC(C)[N@@H+]1CCOC[C@@H]1c1ccccc1F ZINC000616637030 351131577 /nfs/dbraw/zinc/13/15/77/351131577.db2.gz JSNRRQHBYQCLRN-CYBMUJFWSA-N 1 2 223.291 2.607 10 0 BFAELO CC(C)[N@H+]1CCOC[C@@H]1c1ccccc1F ZINC000616637030 351131578 /nfs/dbraw/zinc/13/15/78/351131578.db2.gz JSNRRQHBYQCLRN-CYBMUJFWSA-N 1 2 223.291 2.607 10 0 BFAELO CCN1CC[C@@H](c2c[nH]c[nH+]2)c2ccccc21 ZINC000616672741 351239406 /nfs/dbraw/zinc/23/94/06/351239406.db2.gz PYVXAWVOKVCYCD-LLVKDONJSA-N 1 2 227.311 2.772 10 0 BFAELO C[C@H](c1sccc1Cl)[NH+]1CCOCC1 ZINC000306959499 351381941 /nfs/dbraw/zinc/38/19/41/351381941.db2.gz XSTARIGBLFYDHQ-MRVPVSSYSA-N 1 2 231.748 2.795 10 0 BFAELO Cc1ccc(C(=O)C[NH+]2CCCCC2)s1 ZINC000035020124 351384481 /nfs/dbraw/zinc/38/44/81/351384481.db2.gz WXEXSSXPLDJFBM-UHFFFAOYSA-N 1 2 223.341 2.725 10 0 BFAELO CC[C@H](C)[C@@H]1CC(=O)C[N@@H+]1Cc1ccccc1 ZINC000725272305 538104182 /nfs/dbraw/zinc/10/41/82/538104182.db2.gz KMSQZFIHCRMWKK-WFASDCNBSA-N 1 2 231.339 2.876 10 0 BFAELO CC[C@H](C)[C@@H]1CC(=O)C[N@H+]1Cc1ccccc1 ZINC000725272305 538104184 /nfs/dbraw/zinc/10/41/84/538104184.db2.gz KMSQZFIHCRMWKK-WFASDCNBSA-N 1 2 231.339 2.876 10 0 BFAELO C[NH2+][C@@H](c1ccc(F)cc1)C(C)(F)F ZINC000306320180 353003740 /nfs/dbraw/zinc/00/37/40/353003740.db2.gz BQLCVKTYOITZSP-VIFPVBQESA-N 1 2 203.207 2.741 10 0 BFAELO CC[C@H]1CS[C@@H](c2csc(C)n2)[NH2+]1 ZINC000126797646 353254864 /nfs/dbraw/zinc/25/48/64/353254864.db2.gz SVMZCMFSVKRHRE-CBAPKCEASA-N 1 2 214.359 2.565 10 0 BFAELO CSC[C@@H](C)N(C)c1cc[nH+]c(C(C)C)n1 ZINC000123167679 188219186 /nfs/dbraw/zinc/21/91/86/188219186.db2.gz LCRPJROZKDJRCZ-SNVBAGLBSA-N 1 2 239.388 2.788 10 0 BFAELO CC1=C[NH+]=C[C@@H](OC(C)(C)C)[C@H]1OC1CC1 ZINC000095727265 188500129 /nfs/dbraw/zinc/50/01/29/188500129.db2.gz WHYMWWPQNVULTK-NEPJUHHUSA-N 1 2 223.316 2.706 10 0 BFAELO Cc1c(N)c[nH+]cc1-c1cc(F)ccc1F ZINC000675069284 538498454 /nfs/dbraw/zinc/49/84/54/538498454.db2.gz FETCWMGOTBDXOB-UHFFFAOYSA-N 1 2 220.222 2.917 10 0 BFAELO c1coc([C@H]2CCC[N@H+]2Cc2cocn2)c1 ZINC000191077027 357746953 /nfs/dbraw/zinc/74/69/53/357746953.db2.gz YYGJEMKZZMRMEL-LLVKDONJSA-N 1 2 218.256 2.605 10 0 BFAELO c1coc([C@H]2CCC[N@@H+]2Cc2cocn2)c1 ZINC000191077027 357746956 /nfs/dbraw/zinc/74/69/56/357746956.db2.gz YYGJEMKZZMRMEL-LLVKDONJSA-N 1 2 218.256 2.605 10 0 BFAELO c1coc([C@@H]2CCC[N@H+]2Cc2cocn2)c1 ZINC000191077010 357747688 /nfs/dbraw/zinc/74/76/88/357747688.db2.gz YYGJEMKZZMRMEL-NSHDSACASA-N 1 2 218.256 2.605 10 0 BFAELO c1coc([C@@H]2CCC[N@@H+]2Cc2cocn2)c1 ZINC000191077010 357747691 /nfs/dbraw/zinc/74/76/91/357747691.db2.gz YYGJEMKZZMRMEL-NSHDSACASA-N 1 2 218.256 2.605 10 0 BFAELO COCCOc1cc(C)[nH+]c2ccc(OC)cc21 ZINC000193104351 357860719 /nfs/dbraw/zinc/86/07/19/357860719.db2.gz RNCSWZXOKRNNHS-UHFFFAOYSA-N 1 2 247.294 2.577 10 0 BFAELO C[C@@H]([NH2+]Cc1nc(C2CC2)no1)c1cccs1 ZINC000193119557 357861023 /nfs/dbraw/zinc/86/10/23/357861023.db2.gz CUGGKHXMROCHFK-MRVPVSSYSA-N 1 2 249.339 2.859 10 0 BFAELO C[C@@H](OC(=O)[C@H]([NH3+])c1ccccc1)C(C)(C)C ZINC000584595583 358253193 /nfs/dbraw/zinc/25/31/93/358253193.db2.gz ORDDWTGXFMRPNZ-ZYHUDNBSSA-N 1 2 235.327 2.664 10 0 BFAELO CCOC(=O)[C@@H]([NH3+])c1cccc2c(C)csc21 ZINC000584596662 358253722 /nfs/dbraw/zinc/25/37/22/358253722.db2.gz JTUWBMHINATICL-NSHDSACASA-N 1 2 249.335 2.773 10 0 BFAELO COc1cc2c(cc1OC)C[C@H](C(C)C)[NH+]=C2 ZINC000584606148 358265545 /nfs/dbraw/zinc/26/55/45/358265545.db2.gz GZWWRSHNSIJSNC-GFCCVEGCSA-N 1 2 233.311 2.703 10 0 BFAELO Cc1ccc2c(c1)OCC[C@@H]2c1c[nH]c[nH+]1 ZINC000043168722 358368436 /nfs/dbraw/zinc/36/84/36/358368436.db2.gz NHNAHEJKBTZBMH-JTQLQIEISA-N 1 2 214.268 2.633 10 0 BFAELO C[C@H]1CS[C@@H](c2cccc(O)c2Cl)[NH2+]1 ZINC000306179556 358992334 /nfs/dbraw/zinc/99/23/34/358992334.db2.gz IMAYVVVEFBKQLW-WKEGUHRASA-N 1 2 229.732 2.769 10 0 BFAELO Cc1ccc([C@H]2C[N@H+](Cc3ccco3)CCO2)o1 ZINC000093864574 360284541 /nfs/dbraw/zinc/28/45/41/360284541.db2.gz GHCCSYGHKSAYQF-CQSZACIVSA-N 1 2 247.294 2.755 10 0 BFAELO Cc1ccc([C@H]2C[N@@H+](Cc3ccco3)CCO2)o1 ZINC000093864574 360284545 /nfs/dbraw/zinc/28/45/45/360284545.db2.gz GHCCSYGHKSAYQF-CQSZACIVSA-N 1 2 247.294 2.755 10 0 BFAELO CCn1cc[nH+]c1-c1ccc(NC)cc1 ZINC000669380623 541437054 /nfs/dbraw/zinc/43/70/54/541437054.db2.gz SKSQDFMURKYKGH-UHFFFAOYSA-N 1 2 201.273 2.612 10 0 BFAELO O[C@@H](c1c[nH+]c2n1CCC2)c1ccc(Cl)cc1 ZINC000027526769 368671460 /nfs/dbraw/zinc/67/14/60/368671460.db2.gz BTLABYJXXMWYIE-CYBMUJFWSA-N 1 2 248.713 2.564 10 0 BFAELO COC1=CCc2c([nH]c3c2cc[nH+]c3C)C1 ZINC000003614888 368874882 /nfs/dbraw/zinc/87/48/82/368874882.db2.gz PFWVFHNUUZUIPE-UHFFFAOYSA-N 1 2 214.268 2.500 10 0 BFAELO Cc1ccc([C@H](C)[NH2+]Cc2nccnc2C)o1 ZINC000621326759 370258400 /nfs/dbraw/zinc/25/84/00/370258400.db2.gz SLNDYWWDCMCADV-NSHDSACASA-N 1 2 231.299 2.537 10 0 BFAELO Nc1ccc(Oc2cc[nH+]cc2)cc1F ZINC000043473260 181723845 /nfs/dbraw/zinc/72/38/45/181723845.db2.gz LVVPCNGDMQWTMB-UHFFFAOYSA-N 1 2 204.204 2.595 10 0 BFAELO Nc1[nH+]c2c(cccc2F)n1-c1ccccc1F ZINC000037421343 181789900 /nfs/dbraw/zinc/78/99/00/181789900.db2.gz LRLCSOVNIIFVHY-UHFFFAOYSA-N 1 2 245.232 2.886 10 0 BFAELO Cc1cc(-c2ccccc2)c(CO)c(C)[nH+]1 ZINC000142732368 373878432 /nfs/dbraw/zinc/87/84/32/373878432.db2.gz YHJWUQOGSCGDRH-UHFFFAOYSA-N 1 2 213.280 2.858 10 0 BFAELO [NH3+][C@H](c1ccoc1)c1occc1Br ZINC000069946491 374099051 /nfs/dbraw/zinc/09/90/51/374099051.db2.gz GJFMYUOTIJTXET-MRVPVSSYSA-N 1 2 242.072 2.683 10 0 BFAELO CCCCc1[nH+]c2ccccc2n1CC(=O)OC ZINC000006294241 169028135 /nfs/dbraw/zinc/02/81/35/169028135.db2.gz WXCNTIRWFUCCMZ-UHFFFAOYSA-N 1 2 246.310 2.552 10 0 BFAELO CCCCn1c(N)[nH+]c2c1cccc2F ZINC000037421069 169033587 /nfs/dbraw/zinc/03/35/87/169033587.db2.gz COCGIZLLTQKVDE-UHFFFAOYSA-N 1 2 207.252 2.558 10 0 BFAELO Oc1ccc([NH2+][C@@H]2CCCSC2)cc1 ZINC000061587837 183276849 /nfs/dbraw/zinc/27/68/49/183276849.db2.gz MAGGZQMJHCAFSZ-SNVBAGLBSA-N 1 2 209.314 2.700 10 0 BFAELO Oc1ccc([NH2+][C@H]2CCCSC2)cc1 ZINC000061587838 183277070 /nfs/dbraw/zinc/27/70/70/183277070.db2.gz MAGGZQMJHCAFSZ-JTQLQIEISA-N 1 2 209.314 2.700 10 0 BFAELO CCC[NH2+][C@@H](C(=O)OC)c1ccc(C)cc1C ZINC000037513363 169273833 /nfs/dbraw/zinc/27/38/33/169273833.db2.gz RJVRWFCZPGUWMT-CYBMUJFWSA-N 1 2 235.327 2.517 10 0 BFAELO CCCOc1ccc(-c2cc(N)nc(C)[nH+]2)cc1 ZINC000071557533 169316405 /nfs/dbraw/zinc/31/64/05/169316405.db2.gz WZECUTWHGAHRKY-UHFFFAOYSA-N 1 2 243.310 2.823 10 0 BFAELO CCCOc1ccc(-c2nc(N)cc[nH+]2)cc1 ZINC000052919787 169316433 /nfs/dbraw/zinc/31/64/33/169316433.db2.gz BAVCCBCGQVCNCK-UHFFFAOYSA-N 1 2 229.283 2.515 10 0 BFAELO CCCNc1[nH+]cnc2c1cnn2[C@@H](C)CC ZINC000062367257 169296667 /nfs/dbraw/zinc/29/66/67/169296667.db2.gz ROHJDRHWAHAPBB-VIFPVBQESA-N 1 2 233.319 2.619 10 0 BFAELO CCCOc1ccc(N)c2c[nH+]ccc12 ZINC000035333266 169319047 /nfs/dbraw/zinc/31/90/47/169319047.db2.gz BTFPOIYAJBBDIH-UHFFFAOYSA-N 1 2 202.257 2.606 10 0 BFAELO c1cn2c(cccc2OCc2ccccc2)[nH+]1 ZINC000089201328 383945004 /nfs/dbraw/zinc/94/50/04/383945004.db2.gz UNMXYQOXUNXRJF-UHFFFAOYSA-N 1 2 224.263 2.913 10 0 BFAELO C[C@@H]([NH2+][C@@H]1CCOc2ccccc21)c1ncc[nH]1 ZINC000138977506 384147590 /nfs/dbraw/zinc/14/75/90/384147590.db2.gz RVUOGJUQIFSHRR-ZYHUDNBSSA-N 1 2 243.310 2.584 10 0 BFAELO Cc1cc[nH+]cc1N[C@H]1C[C@H]2CC[C@@H]1C2 ZINC000070958598 384143510 /nfs/dbraw/zinc/14/35/10/384143510.db2.gz XTOCTZJDCAYSRT-TUAOUCFPSA-N 1 2 202.301 2.991 10 0 BFAELO CCc1[nH+]c(Br)c2ccccn21 ZINC000008339449 384199500 /nfs/dbraw/zinc/19/95/00/384199500.db2.gz UHQAYBFBRAOMQP-UHFFFAOYSA-N 1 2 225.089 2.659 10 0 BFAELO Cc1cc[nH+]cc1N[C@H](C)[C@@H]1CCCOC1 ZINC000335607332 384378458 /nfs/dbraw/zinc/37/84/58/384378458.db2.gz OOURUOHXAZHAFB-VXGBXAGGSA-N 1 2 220.316 2.617 10 0 BFAELO c1nc(C[N@@H+]2CCCC[C@H]2c2cn[nH]c2)cs1 ZINC000121801795 384440183 /nfs/dbraw/zinc/44/01/83/384440183.db2.gz BXDOYOYHQLNZQN-LBPRGKRZSA-N 1 2 248.355 2.593 10 0 BFAELO c1nc(C[N@H+]2CCCC[C@H]2c2cn[nH]c2)cs1 ZINC000121801795 384440186 /nfs/dbraw/zinc/44/01/86/384440186.db2.gz BXDOYOYHQLNZQN-LBPRGKRZSA-N 1 2 248.355 2.593 10 0 BFAELO CC[C@H]1CS[C@H](c2csc(C)n2)[NH2+]1 ZINC000126797230 384477476 /nfs/dbraw/zinc/47/74/76/384477476.db2.gz SVMZCMFSVKRHRE-IONNQARKSA-N 1 2 214.359 2.565 10 0 BFAELO C[C@H]1[NH+]=C(Nc2ccccc2)S[C@H]1C ZINC000238432906 384665199 /nfs/dbraw/zinc/66/51/99/384665199.db2.gz GFVQSVUITUGWNV-BDAKNGLRSA-N 1 2 206.314 2.978 10 0 BFAELO COc1ccc2[nH]c3c(c2c1)CC[N@H+](C)[C@@H]3C ZINC000014697392 384959190 /nfs/dbraw/zinc/95/91/90/384959190.db2.gz KJRZKSZBOCUMNO-SECBINFHSA-N 1 2 230.311 2.725 10 0 biogenic,in-vitro BFAELO COc1ccc2[nH]c3c(c2c1)CC[N@@H+](C)[C@@H]3C ZINC000014697392 384959193 /nfs/dbraw/zinc/95/91/93/384959193.db2.gz KJRZKSZBOCUMNO-SECBINFHSA-N 1 2 230.311 2.725 10 0 biogenic,in-vitro BFAELO C[C@@H]1OCC[C@H]1Nc1cc(C(F)(F)F)cc[nH+]1 ZINC000150068108 384963245 /nfs/dbraw/zinc/96/32/45/384963245.db2.gz VWVXOQSHFFBFQO-IONNQARKSA-N 1 2 246.232 2.690 10 0 BFAELO CCOc1ccccc1[C@@H](C)[NH2+]Cc1c[nH]cn1 ZINC000112344590 385839633 /nfs/dbraw/zinc/83/96/33/385839633.db2.gz OJUZRDBKFAGPNS-LLVKDONJSA-N 1 2 245.326 2.659 10 0 BFAELO Cc1ccc([C@H](C)[NH2+]Cc2cn(C(C)C)nn2)o1 ZINC000289898293 385962469 /nfs/dbraw/zinc/96/24/69/385962469.db2.gz YGWJMJTVBLKIQE-NSHDSACASA-N 1 2 248.330 2.611 10 0 BFAELO C[C@@]([NH3+])(c1ccsc1Cl)C(F)F ZINC000575571701 386145396 /nfs/dbraw/zinc/14/53/96/386145396.db2.gz OBQNEFMHVWUCEJ-SSDOTTSWSA-N 1 2 211.664 2.841 10 0 BFAELO CC[C@H]1CC[N@@H+]1Cc1cnc(Cl)s1 ZINC000292465091 386637562 /nfs/dbraw/zinc/63/75/62/386637562.db2.gz QUBIJLWDOGFIAV-ZETCQYMHSA-N 1 2 216.737 2.781 10 0 BFAELO CC[C@H]1CC[N@H+]1Cc1cnc(Cl)s1 ZINC000292465091 386637569 /nfs/dbraw/zinc/63/75/69/386637569.db2.gz QUBIJLWDOGFIAV-ZETCQYMHSA-N 1 2 216.737 2.781 10 0 BFAELO CCC[C@@]1(COC)CCCN1c1cc(C)[nH+]cn1 ZINC000302829652 386939236 /nfs/dbraw/zinc/93/92/36/386939236.db2.gz PJSAFDKYPKNYEL-AWEZNQCLSA-N 1 2 249.358 2.571 10 0 BFAELO Cc1cnc([C@H](C)[NH2+][C@H](C)c2cncc(F)c2)o1 ZINC000228578268 387093798 /nfs/dbraw/zinc/09/37/98/387093798.db2.gz NRSBPRWGFPMHMJ-ZJUUUORDSA-N 1 2 249.289 2.929 10 0 BFAELO c1nc([C@H]2CCCC[N@H+]2CCC2CCCC2)n[nH]1 ZINC000121737739 387402923 /nfs/dbraw/zinc/40/29/23/387402923.db2.gz CNKZWHBFWHOPQN-CYBMUJFWSA-N 1 2 248.374 2.912 10 0 BFAELO c1nc([C@H]2CCCC[N@@H+]2CCC2CCCC2)n[nH]1 ZINC000121737739 387402929 /nfs/dbraw/zinc/40/29/29/387402929.db2.gz CNKZWHBFWHOPQN-CYBMUJFWSA-N 1 2 248.374 2.912 10 0 BFAELO Cc1ccc([C@@H](C)[NH2+]Cc2cnc(C)cn2)o1 ZINC000061319947 387842556 /nfs/dbraw/zinc/84/25/56/387842556.db2.gz YQELCDZIVNJBAO-LLVKDONJSA-N 1 2 231.299 2.537 10 0 BFAELO CCn1cc[nH+]c1CSc1ccncc1 ZINC000119246467 388112452 /nfs/dbraw/zinc/11/24/52/388112452.db2.gz LNYDDXVCVNYPLW-UHFFFAOYSA-N 1 2 219.313 2.590 10 0 BFAELO CCc1ccc(C[NH2+][C@H](C)c2ncc(C)o2)nc1 ZINC000345117774 388511022 /nfs/dbraw/zinc/51/10/22/388511022.db2.gz KVHNIXCZFLAUNE-LLVKDONJSA-N 1 2 245.326 2.791 10 0 BFAELO CCn1cc[nH+]c1CS[C@H](C)c1cnccn1 ZINC000185567394 388588797 /nfs/dbraw/zinc/58/87/97/388588797.db2.gz MLYRLUDSMVOURH-SNVBAGLBSA-N 1 2 248.355 2.687 10 0 BFAELO CCn1cc[nH+]c1CSCC[C@@H]1CCCO1 ZINC000190047424 388645976 /nfs/dbraw/zinc/64/59/76/388645976.db2.gz YEWWVQHQBXJRDH-NSHDSACASA-N 1 2 240.372 2.705 10 0 BFAELO CC(C)c1nc([C@H]2[NH2+]CCS2)cs1 ZINC000575504224 388990476 /nfs/dbraw/zinc/99/04/76/388990476.db2.gz FZKIBYHESFOWAD-VIFPVBQESA-N 1 2 214.359 2.602 10 0 BFAELO Cc1cc([NH+]2C[C@@H](C)C[C@H](C)C2)ccc1CO ZINC000050582560 132359265 /nfs/dbraw/zinc/35/92/65/132359265.db2.gz ISSAYUJTFGXPIB-RYUDHWBXSA-N 1 2 233.355 2.970 10 0 BFAELO Cc1cc2ccccc2[nH+]c1N1CCC(=O)CC1 ZINC000063105485 132389522 /nfs/dbraw/zinc/38/95/22/132389522.db2.gz ATNGLQNTVRJKHX-UHFFFAOYSA-N 1 2 240.306 2.713 10 0 BFAELO Cc1cnc([C@@H](C)[NH2+]Cc2ccccc2F)o1 ZINC000220884511 134316573 /nfs/dbraw/zinc/31/65/73/134316573.db2.gz XNHIZZKRNRWTRD-SNVBAGLBSA-N 1 2 234.274 2.973 10 0 BFAELO Cc1cnc([C@H](C)[NH2+]Cc2cccs2)o1 ZINC000220884420 134316859 /nfs/dbraw/zinc/31/68/59/134316859.db2.gz FHURLDLWQJSCFN-VIFPVBQESA-N 1 2 222.313 2.895 10 0 BFAELO CC(C)Nc1ccc2[nH+]cccc2c1N ZINC000037377455 167146868 /nfs/dbraw/zinc/14/68/68/167146868.db2.gz YHPMUFLGTQIDDU-UHFFFAOYSA-N 1 2 201.273 2.637 10 0 BFAELO Brc1ccc(Cc2c[nH]c[nH+]2)cc1 ZINC000014979069 166098058 /nfs/dbraw/zinc/09/80/58/166098058.db2.gz WXUFCVQAMIUJMP-UHFFFAOYSA-N 1 2 237.100 2.763 10 0 BFAELO Brc1ccc(Cc2c[nH+]c[nH]2)cc1 ZINC000014979069 166098060 /nfs/dbraw/zinc/09/80/60/166098060.db2.gz WXUFCVQAMIUJMP-UHFFFAOYSA-N 1 2 237.100 2.763 10 0 BFAELO CC(C)[NH2+]c1ccc(N)cc1Br ZINC000043596544 167145525 /nfs/dbraw/zinc/14/55/25/167145525.db2.gz VFOPHOJCGPGLCS-UHFFFAOYSA-N 1 2 229.121 2.852 10 0 BFAELO CC(C)[C@@H](C)Nc1ccc(N(C)C)[nH+]c1 ZINC000036989005 167385302 /nfs/dbraw/zinc/38/53/02/167385302.db2.gz LEVORQCWPHHGDO-SNVBAGLBSA-N 1 2 207.321 2.604 10 0 BFAELO CC1CCC(Nc2[nH+]cccc2C(N)=S)CC1 ZINC000019805793 168166027 /nfs/dbraw/zinc/16/60/27/168166027.db2.gz VAYFJRAYZXFYNM-UHFFFAOYSA-N 1 2 249.383 2.706 10 0 BFAELO Cc1cc[nH+]cc1N[C@H]1CCOC(C)(C)C1 ZINC000069891307 411507267 /nfs/dbraw/zinc/50/72/67/411507267.db2.gz AANFZEJKGPMZMT-NSHDSACASA-N 1 2 220.316 2.760 10 0 BFAELO Cc1cc[nH+]c(C)c1NC(=O)N1C[C@@H]2CCC[C@@H]21 ZINC000334457185 411517290 /nfs/dbraw/zinc/51/72/90/411517290.db2.gz IEWLLFXZEWHHJW-RYUDHWBXSA-N 1 2 245.326 2.715 10 0 BFAELO COc1ccccc1[C@@H](C)[NH2+]Cc1coc(C)n1 ZINC000660172202 411551918 /nfs/dbraw/zinc/55/19/18/411551918.db2.gz JPASXDGDGXQLGT-SNVBAGLBSA-N 1 2 246.310 2.842 10 0 BFAELO CCNc1cc(Nc2ccc(OC)cc2)[nH+]cn1 ZINC000103297699 170172680 /nfs/dbraw/zinc/17/26/80/170172680.db2.gz WEHGRKCDRKHJNF-UHFFFAOYSA-N 1 2 244.298 2.661 10 0 BFAELO CCNc1cc(Nc2ccc(OC)cc2)nc[nH+]1 ZINC000103297699 170172682 /nfs/dbraw/zinc/17/26/82/170172682.db2.gz WEHGRKCDRKHJNF-UHFFFAOYSA-N 1 2 244.298 2.661 10 0 BFAELO CCNc1nc[nH+]c(Nc2cccc(C)c2)c1N ZINC000040707371 170178266 /nfs/dbraw/zinc/17/82/66/170178266.db2.gz VMUOZTROMQRBMX-UHFFFAOYSA-N 1 2 243.314 2.543 10 0 BFAELO CCNc1[nH+]cnc(Nc2cccc(C)c2)c1N ZINC000040707371 170178268 /nfs/dbraw/zinc/17/82/68/170178268.db2.gz VMUOZTROMQRBMX-UHFFFAOYSA-N 1 2 243.314 2.543 10 0 BFAELO CCOC(=O)[C@@H]([NH2+]CC(C)C)c1ccc(C)cc1 ZINC000037966263 170255815 /nfs/dbraw/zinc/25/58/15/170255815.db2.gz VXOAATSMERFRBL-AWEZNQCLSA-N 1 2 249.354 2.845 10 0 BFAELO CC[C@H](C)[NH2+][C@@H](C(=O)OC)c1cccc(C)c1 ZINC000038066843 171345449 /nfs/dbraw/zinc/34/54/49/171345449.db2.gz XYIFZTFBLXVRQL-WCQYABFASA-N 1 2 235.327 2.597 10 0 BFAELO CC[C@H](C)[NH2+][C@H](C(=O)OC)c1cccc(C)c1 ZINC000038066841 171348104 /nfs/dbraw/zinc/34/81/04/171348104.db2.gz XYIFZTFBLXVRQL-AAEUAGOBSA-N 1 2 235.327 2.597 10 0 BFAELO CCc1ccc(NCc2[nH]c[nH+]c2C)cc1 ZINC000054793865 171821247 /nfs/dbraw/zinc/82/12/47/171821247.db2.gz NIBQVSRGPWZXMG-UHFFFAOYSA-N 1 2 215.300 2.893 10 0 BFAELO CCc1nc(N)c(-c2ccc(Cl)cc2)c[nH+]1 ZINC000061675303 172014856 /nfs/dbraw/zinc/01/48/56/172014856.db2.gz WJLJGNNRUBYLEX-UHFFFAOYSA-N 1 2 233.702 2.942 10 0 BFAELO CCc1nc(N)c(-c2ccc(C)cc2)c[nH+]1 ZINC000061675305 172015453 /nfs/dbraw/zinc/01/54/53/172015453.db2.gz JZISCGBVDKFUMS-UHFFFAOYSA-N 1 2 213.284 2.597 10 0 BFAELO CCn1c(C)[nH+]c2cc(C(F)(F)F)c(N)cc21 ZINC000005317346 172137514 /nfs/dbraw/zinc/13/75/14/172137514.db2.gz CBCBTRZQTHHIST-UHFFFAOYSA-N 1 2 243.232 2.966 10 0 BFAELO C[NH2+]Cc1nc(C)c(-c2cccc(Cl)c2)[nH]1 ZINC000036877264 173394541 /nfs/dbraw/zinc/39/45/41/173394541.db2.gz QUYLXSFSULTUDQ-UHFFFAOYSA-N 1 2 235.718 2.758 10 0 BFAELO COc1cc2c(c(OC)c1)[NH2+]C[C@H](C(C)C)C2 ZINC000011633349 175020533 /nfs/dbraw/zinc/02/05/33/175020533.db2.gz QTPKBBHJZDOMHR-LLVKDONJSA-N 1 2 235.327 2.944 10 0 BFAELO COc1ccc(Cl)cc1-c1c[nH]c[nH+]1 ZINC000041218147 175119446 /nfs/dbraw/zinc/11/94/46/175119446.db2.gz QIIZZPYSBCLNAG-UHFFFAOYSA-N 1 2 208.648 2.739 10 0 BFAELO COc1cccc(Sc2cc(N)cc[nH+]2)c1 ZINC000043569664 175285459 /nfs/dbraw/zinc/28/54/59/175285459.db2.gz QGUDLWLKYLVKIX-UHFFFAOYSA-N 1 2 232.308 2.824 10 0 BFAELO COc1ccccc1C(=O)C[NH+]1CCC(C)CC1 ZINC000034989718 175316356 /nfs/dbraw/zinc/31/63/56/175316356.db2.gz OMZIAGCMBMDFHS-UHFFFAOYSA-N 1 2 247.338 2.610 10 0 BFAELO C[C@@H]1[C@@H](C)[C@H](C)C(=O)C[N@H+]1Cc1ccccc1 ZINC000068593104 176043742 /nfs/dbraw/zinc/04/37/42/176043742.db2.gz DVDWJFDLDUYNRK-RWMBFGLXSA-N 1 2 231.339 2.732 10 0 BFAELO C[C@@H]1[C@@H](C)[C@H](C)C(=O)C[N@@H+]1Cc1ccccc1 ZINC000068593104 176043744 /nfs/dbraw/zinc/04/37/44/176043744.db2.gz DVDWJFDLDUYNRK-RWMBFGLXSA-N 1 2 231.339 2.732 10 0 BFAELO C[C@@H]1CCCC[C@@H]1N(C)c1ccc(CO)c[nH+]1 ZINC000042609781 176078687 /nfs/dbraw/zinc/07/86/87/176078687.db2.gz RLQKKOJHXUFJSJ-YPMHNXCESA-N 1 2 234.343 2.589 10 0 BFAELO C[C@@H]1CCCC[C@@H]1N(C)c1cc(CO)cc[nH+]1 ZINC000042609759 176078960 /nfs/dbraw/zinc/07/89/60/176078960.db2.gz PVLMHWAXDREUCO-YPMHNXCESA-N 1 2 234.343 2.589 10 0 BFAELO C[C@@H]1CCCC[C@@H]1OCc1ccc(N)[nH+]c1 ZINC000050831667 176082982 /nfs/dbraw/zinc/08/29/82/176082982.db2.gz GTOAQFPNTYVFLS-PWSUYJOCSA-N 1 2 220.316 2.759 10 0 BFAELO C[C@@H]1CCCC[C@H]1Nc1cc(C(N)=S)cc[nH+]1 ZINC000019805734 176089239 /nfs/dbraw/zinc/08/92/39/176089239.db2.gz FLKFTGPEINXHPJ-MWLCHTKSSA-N 1 2 249.383 2.706 10 0 BFAELO C[C@@H]1CCCC[C@H]1Nc1[nH+]cccc1C(N)=S ZINC000019805726 176089425 /nfs/dbraw/zinc/08/94/25/176089425.db2.gz CJFIAWAYLVCDNO-MWLCHTKSSA-N 1 2 249.383 2.706 10 0 BFAELO C[C@@H]1CCC[C@@H](OCc2ccc(N)[nH+]c2)C1 ZINC000050832442 176125006 /nfs/dbraw/zinc/12/50/06/176125006.db2.gz KFVDIVSKTZRQCQ-ZYHUDNBSSA-N 1 2 220.316 2.759 10 0 BFAELO C[C@@H]1COC[C@@H](C)[NH+]1Cc1cc(F)cc(F)c1 ZINC000093606604 176346764 /nfs/dbraw/zinc/34/67/64/176346764.db2.gz NFZHESLZKXCDNB-NXEZZACHSA-N 1 2 241.281 2.574 10 0 BFAELO C[C@H](c1cccnc1)[N@H+]1[C@@H]2CCC[C@H]1CC(=O)C2 ZINC000054600985 177046463 /nfs/dbraw/zinc/04/64/63/177046463.db2.gz GJVCZAPARNDPKM-BNOWGMLFSA-N 1 2 244.338 2.729 10 0 BFAELO C[C@H](c1cccnc1)[N@@H+]1[C@@H]2CCC[C@H]1CC(=O)C2 ZINC000054600985 177046466 /nfs/dbraw/zinc/04/64/66/177046466.db2.gz GJVCZAPARNDPKM-BNOWGMLFSA-N 1 2 244.338 2.729 10 0 BFAELO C[C@H]1C(=O)C[N@@H+](Cc2ccccc2)[C@H](C)[C@@H]1C ZINC000068593108 177057093 /nfs/dbraw/zinc/05/70/93/177057093.db2.gz DVDWJFDLDUYNRK-JHJVBQTASA-N 1 2 231.339 2.732 10 0 BFAELO C[C@H]1C(=O)C[N@H+](Cc2ccccc2)[C@H](C)[C@@H]1C ZINC000068593108 177057095 /nfs/dbraw/zinc/05/70/95/177057095.db2.gz DVDWJFDLDUYNRK-JHJVBQTASA-N 1 2 231.339 2.732 10 0 BFAELO C[C@H]1CCCC[C@@H]1OCc1cc[nH+]c(N)c1 ZINC000052754824 177084519 /nfs/dbraw/zinc/08/45/19/177084519.db2.gz YPPUWPAZASMWSM-JQWIXIFHSA-N 1 2 220.316 2.759 10 0 BFAELO C[C@H]1C[C@@H]1CN(C)c1ccc2[nH+]cccc2c1N ZINC000104416357 177342610 /nfs/dbraw/zinc/34/26/10/177342610.db2.gz BGYQHFLAZFRYHM-WDEREUQCSA-N 1 2 241.338 2.909 10 0 BFAELO C[C@H]1Cc2ccccc2N1c1[nH+]cccc1N ZINC000019276728 177390456 /nfs/dbraw/zinc/39/04/56/177390456.db2.gz NQHOQCDMRGHJNP-JTQLQIEISA-N 1 2 225.295 2.747 10 0 BFAELO C[C@H]1Cc2ccccc2N1c1ccc(N)c[nH+]1 ZINC000019398397 177390466 /nfs/dbraw/zinc/39/04/66/177390466.db2.gz SDGIOJHEIHSJED-JTQLQIEISA-N 1 2 225.295 2.747 10 0 BFAELO CCC[C@@H]1C[C@H]1Nc1[nH+]cccc1OC ZINC000233312163 325184724 /nfs/dbraw/zinc/18/47/24/325184724.db2.gz TUZXDBJUNATQGN-NXEZZACHSA-N 1 2 206.289 2.691 10 0 BFAELO CCc1cc(NC(C)(C)COC(C)C)nc[nH+]1 ZINC000396327295 487909028 /nfs/dbraw/zinc/90/90/28/487909028.db2.gz BJDDLESWVWYYEX-UHFFFAOYSA-N 1 2 237.347 2.655 10 0 BFAELO CCc1cc(NC[C@@H]2C[C@@H](C)O[C@@H](C)C2)nc[nH+]1 ZINC000684897923 488351010 /nfs/dbraw/zinc/35/10/10/488351010.db2.gz VGZOAEJFLCXPJY-ZSBIGDGJSA-N 1 2 249.358 2.655 10 0 BFAELO CCc1cc(NCC2C[C@H](C)O[C@@H](C)C2)nc[nH+]1 ZINC000684897922 488351112 /nfs/dbraw/zinc/35/11/12/488351112.db2.gz VGZOAEJFLCXPJY-QWRGUYRKSA-N 1 2 249.358 2.655 10 0 BFAELO CC[C@H]1CN2CCCC[C@@H]2C[N@@H+]1CC=C(C)C ZINC000227599842 491064037 /nfs/dbraw/zinc/06/40/37/491064037.db2.gz QYRAGFKDNQSMOC-LSDHHAIUSA-N 1 2 236.403 2.901 10 0 BFAELO CC[C@H]1CN2CCCC[C@@H]2C[N@H+]1CC=C(C)C ZINC000227599842 491064039 /nfs/dbraw/zinc/06/40/39/491064039.db2.gz QYRAGFKDNQSMOC-LSDHHAIUSA-N 1 2 236.403 2.901 10 0 BFAELO Cc1cc[nH+]cc1N[C@H]1CC[C@H]1C1CC1 ZINC000309245304 491146627 /nfs/dbraw/zinc/14/66/27/491146627.db2.gz ZASPBQHFUBCEDG-RYUDHWBXSA-N 1 2 202.301 2.991 10 0 BFAELO Cc1ccoc1CSc1cc[nH+]c(N)c1 ZINC000757166293 582547654 /nfs/dbraw/zinc/54/76/54/582547654.db2.gz QAYYEONBDGZKSS-UHFFFAOYSA-N 1 2 220.297 2.858 10 0 BFAELO C[C@@H]([NH2+]c1ccc2c(c1)CCN2C)C1CC1 ZINC000757131207 582505764 /nfs/dbraw/zinc/50/57/64/582505764.db2.gz PUTAEGFUFINXMM-SNVBAGLBSA-N 1 2 216.328 2.889 10 0 BFAELO Cc1nc([C@@H]2[NH2+]CCc3sccc32)cs1 ZINC000397207922 583098810 /nfs/dbraw/zinc/09/88/10/583098810.db2.gz BYTBTHGJZNYUSS-LLVKDONJSA-N 1 2 236.365 2.748 10 0 BFAELO FC(F)C(F)(F)C[NH2+]CCc1ccccc1 ZINC000020518550 590117639 /nfs/dbraw/zinc/11/76/39/590117639.db2.gz HFZXLNMBGYYRJL-UHFFFAOYSA-N 1 2 235.224 2.719 10 0 BFAELO Cc1ccc(F)cc1-n1cc[nH+]c1[C@@H]1CCOC1 ZINC000067515546 636304592 /nfs/dbraw/zinc/30/45/92/636304592.db2.gz XRJPRGBAGGKLJS-LLVKDONJSA-N 1 2 246.285 2.824 10 0 BFAELO CNc1cc(N[C@H](C)c2cccs2)nc[nH+]1 ZINC000087812147 641051587 /nfs/dbraw/zinc/05/15/87/641051587.db2.gz ARGFZYGWPCWUQY-MRVPVSSYSA-N 1 2 234.328 2.753 10 0 BFAELO CNc1cc(N[C@H](C)c2cccs2)[nH+]cn1 ZINC000087812147 641051589 /nfs/dbraw/zinc/05/15/89/641051589.db2.gz ARGFZYGWPCWUQY-MRVPVSSYSA-N 1 2 234.328 2.753 10 0 BFAELO Cc1ccc([C@@H](C)[NH2+]Cc2nccn2C2CC2)o1 ZINC000711733215 712321051 /nfs/dbraw/zinc/32/10/51/712321051.db2.gz SMJIOBJACNTARQ-LLVKDONJSA-N 1 2 245.326 2.970 10 0 BFAELO