smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cccc2c1CCC[C@H]2c1c[nH]c[nH+]1 ZINC000000006656 179213313 /nfs/dbraw/zinc/21/33/13/179213313.db2.gz PBKUWTSPSPWXNE-CYBMUJFWSA-N 1 2 212.296 3.186 10 0 BGAELO Oc1ccc([NH2+][C@H]2CCc3ccccc3C2)cc1 ZINC000000009652 183277014 /nfs/dbraw/zinc/27/70/14/183277014.db2.gz PEYFLWVFFHEZSO-HNNXBMFYSA-N 1 2 239.318 3.362 10 0 BGAELO C[C@@H](c1noc2ccc(Cl)cc21)n1cc[nH+]c1 ZINC000000015778 176042080 /nfs/dbraw/zinc/04/20/80/176042080.db2.gz QMKRARTVXMQOBW-QMMMGPOBSA-N 1 2 247.685 3.287 10 0 in-man BGAELO c1cc2c(cccc2-c2c[nH]c[nH+]2)s1 ZINC000000024131 183329329 /nfs/dbraw/zinc/32/93/29/183329329.db2.gz QRRRICPYXPJYEH-UHFFFAOYSA-N 1 2 200.266 3.291 10 0 in-vivo BGAELO Cc1sc(C)c2c1CCC=C2c1c[nH]c[nH+]1 ZINC000000024132 368478572 /nfs/dbraw/zinc/47/85/72/368478572.db2.gz RLKWQKZPCMICPS-UHFFFAOYSA-N 1 2 230.336 3.466 10 0 in-vitro BGAELO COc1ccc(-c2cn3c([nH+]2)CCCCC3)cc1 ZINC000000245699 175035589 /nfs/dbraw/zinc/03/55/89/175035589.db2.gz HQYGCPGALQCOLC-UHFFFAOYSA-N 1 2 242.322 3.285 10 0 BGAELO Cc1ccc2[nH+]c(-c3ccc(C=O)cc3)cn2c1 ZINC000000337713 383856412 /nfs/dbraw/zinc/85/64/12/383856412.db2.gz RPJOPDMVXDGVQQ-UHFFFAOYSA-N 1 2 236.274 3.122 10 0 BGAELO Fc1ccccc1Nc1[nH]c2ccccc2[nH+]1 ZINC000000513169 181014068 /nfs/dbraw/zinc/01/40/68/181014068.db2.gz OJRMUPYSGWAPCE-UHFFFAOYSA-N 1 2 227.242 3.446 10 0 BGAELO Clc1ccc2c(c1)[nH+]c1ccccn12 ZINC000000520187 360637803 /nfs/dbraw/zinc/63/78/03/360637803.db2.gz NWMIPVKRLZRRSQ-UHFFFAOYSA-N 1 2 202.644 3.141 10 0 BGAELO Cc1ccc2c([nH+]1)[C@H](C(C)(C)O)CC[C@@H]2C ZINC000001090540 560180367 /nfs/dbraw/zinc/18/03/67/560180367.db2.gz ZKWQRKACMGTYMH-JOYOIKCWSA-N 1 2 219.328 3.142 10 0 in-vitro BGAELO Nc1ccc(-c2c(N)[nH+]cc3ccccc32)cc1 ZINC000001557664 368647108 /nfs/dbraw/zinc/64/71/08/368647108.db2.gz RHQIZEYRGRQHKC-UHFFFAOYSA-N 1 2 235.290 3.066 10 0 BGAELO Cc1cc2[nH+]cn([C@H]3CCCCO3)c2cc1C ZINC000001648720 178305658 /nfs/dbraw/zinc/30/56/58/178305658.db2.gz ASIWCDIGTQZVDE-CQSZACIVSA-N 1 2 230.311 3.352 10 0 BGAELO Cc1cc(OCc2c[nH+]c[nH]2)cc(C)c1Cl ZINC000001651821 178212908 /nfs/dbraw/zinc/21/29/08/178212908.db2.gz IQRPFEOJKBFMEM-UHFFFAOYSA-N 1 2 236.702 3.259 10 0 BGAELO Cc1cc(OCc2c[nH]c[nH+]2)cc(C)c1Cl ZINC000001651821 178212907 /nfs/dbraw/zinc/21/29/07/178212907.db2.gz IQRPFEOJKBFMEM-UHFFFAOYSA-N 1 2 236.702 3.259 10 0 BGAELO C[C@H](c1noc2ccc(Cl)cc21)n1cc[nH+]c1 ZINC000001851203 177056417 /nfs/dbraw/zinc/05/64/17/177056417.db2.gz QMKRARTVXMQOBW-MRVPVSSYSA-N 1 2 247.685 3.287 10 0 in-man BGAELO CCn1c(C)[nH+]c2cc(C(F)(F)F)ccc21 ZINC000002168799 172138074 /nfs/dbraw/zinc/13/80/74/172138074.db2.gz LXNGDRGLRRDJOB-UHFFFAOYSA-N 1 2 228.217 3.383 10 0 BGAELO CCc1ccc(OCCCCn2cc[nH+]c2)cc1 ZINC000002486282 133444557 /nfs/dbraw/zinc/44/45/57/133444557.db2.gz NRHUFCAEFOGFQG-UHFFFAOYSA-N 1 2 244.338 3.305 10 0 BGAELO O=C(C[NH+]1CCCCC1)c1ccccc1Cl ZINC000003291466 371945666 /nfs/dbraw/zinc/94/56/66/371945666.db2.gz MZTFUWNAMYBSTO-UHFFFAOYSA-N 1 2 237.730 3.009 10 0 BGAELO COc1ccc2c(c1)c1cc[nH+]c(C)c1n2C ZINC000003617544 175219174 /nfs/dbraw/zinc/21/91/74/175219174.db2.gz AJSYZGYPCGTQSU-UHFFFAOYSA-N 1 2 226.279 3.044 10 0 in-vivo BGAELO Cc1[nH+]cn(Nc2cccc(Cl)c2)c1C ZINC000003641465 180289163 /nfs/dbraw/zinc/28/91/63/180289163.db2.gz NELSTVADQULODT-UHFFFAOYSA-N 1 2 221.691 3.029 10 0 BGAELO Clc1cccc(Nn2c[nH+]c3c2CCCC3)c1 ZINC000003641472 368876930 /nfs/dbraw/zinc/87/69/30/368876930.db2.gz JQSWDCGQVFHWOG-UHFFFAOYSA-N 1 2 247.729 3.291 10 0 BGAELO CC1(C)CC(=O)C[C@@H](c2ccccc2Cl)[NH2+]1 ZINC000003642083 384023263 /nfs/dbraw/zinc/02/32/63/384023263.db2.gz CSCYTRMTQDBUGL-LBPRGKRZSA-N 1 2 237.730 3.112 10 0 BGAELO CC1(C)CC(=O)C[C@H](c2ccccc2Cl)[NH2+]1 ZINC000003642084 384023346 /nfs/dbraw/zinc/02/33/46/384023346.db2.gz CSCYTRMTQDBUGL-GFCCVEGCSA-N 1 2 237.730 3.112 10 0 BGAELO Oc1ccc([NH2+][C@@H]2CCc3ccccc3C2)cc1 ZINC000003779343 183276429 /nfs/dbraw/zinc/27/64/29/183276429.db2.gz PEYFLWVFFHEZSO-OAHLLOKOSA-N 1 2 239.318 3.362 10 0 BGAELO C[C@H](c1c[nH+]c[nH]1)[C@H]1CCc2ccccc21 ZINC000003822127 177031538 /nfs/dbraw/zinc/03/15/38/177031538.db2.gz YVTUUJAFPXQJIA-CMPLNLGQSA-N 1 2 212.296 3.243 10 0 BGAELO C[C@H](c1c[nH]c[nH+]1)[C@H]1CCc2ccccc21 ZINC000003822127 177031535 /nfs/dbraw/zinc/03/15/35/177031535.db2.gz YVTUUJAFPXQJIA-CMPLNLGQSA-N 1 2 212.296 3.243 10 0 BGAELO Cc1cccc2c1CCC[C@@H]2c1c[nH]c[nH+]1 ZINC000003826261 179213280 /nfs/dbraw/zinc/21/32/80/179213280.db2.gz PBKUWTSPSPWXNE-ZDUSSCGKSA-N 1 2 212.296 3.186 10 0 BGAELO CC(C)[N@H+]1OC(C)(C)[C@@H]2CC[C@@H](C)C[C@H]21 ZINC000005106105 167035613 /nfs/dbraw/zinc/03/56/13/167035613.db2.gz NANSZPPPRQQTJB-IJLUTSLNSA-N 1 2 211.349 3.225 10 0 BGAELO CC(C)[N@@H+]1OC(C)(C)[C@@H]2CC[C@@H](C)C[C@H]21 ZINC000005106105 167035610 /nfs/dbraw/zinc/03/56/10/167035610.db2.gz NANSZPPPRQQTJB-IJLUTSLNSA-N 1 2 211.349 3.225 10 0 BGAELO CC(C)[N@H+]1OC(C)(C)[C@H]2CC[C@@H](C)C[C@H]21 ZINC000005106107 167035965 /nfs/dbraw/zinc/03/59/65/167035965.db2.gz NANSZPPPRQQTJB-GRYCIOLGSA-N 1 2 211.349 3.225 10 0 BGAELO CC(C)[N@@H+]1OC(C)(C)[C@H]2CC[C@@H](C)C[C@H]21 ZINC000005106107 167035962 /nfs/dbraw/zinc/03/59/62/167035962.db2.gz NANSZPPPRQQTJB-GRYCIOLGSA-N 1 2 211.349 3.225 10 0 BGAELO C[NH+](C)c1ccc(Nc2ccc(O)cc2)cc1 ZINC000005318067 187248209 /nfs/dbraw/zinc/24/82/09/187248209.db2.gz PUYVXGYHLVKSKH-UHFFFAOYSA-N 1 2 228.295 3.202 10 0 BGAELO COc1ccc2c(c1)[nH+]cn2Cc1ccccc1 ZINC000005387005 175220210 /nfs/dbraw/zinc/22/02/10/175220210.db2.gz NYIKCGZRZMYVKV-UHFFFAOYSA-N 1 2 238.290 3.093 10 0 BGAELO Cc1cc2[nH+]cn([C@@H]3CCCCO3)c2cc1C ZINC000005552964 178304852 /nfs/dbraw/zinc/30/48/52/178304852.db2.gz ASIWCDIGTQZVDE-AWEZNQCLSA-N 1 2 230.311 3.352 10 0 BGAELO COc1ccc2c3cc[nH+]c(C)c3n(C)c2c1 ZINC000005930503 175223759 /nfs/dbraw/zinc/22/37/59/175223759.db2.gz LJQLTQRHIJBENP-UHFFFAOYSA-N 1 2 226.279 3.044 10 0 BGAELO Clc1cccc(NC2=[NH+]CCCS2)c1 ZINC000008729600 372865603 /nfs/dbraw/zinc/86/56/03/372865603.db2.gz NRYDZGQRWYQOOU-UHFFFAOYSA-N 1 2 226.732 3.245 10 0 BGAELO C[C@@H](c1c[nH+]c[nH]1)[C@@H]1CCc2ccccc21 ZINC000011686940 176012917 /nfs/dbraw/zinc/01/29/17/176012917.db2.gz YVTUUJAFPXQJIA-PWSUYJOCSA-N 1 2 212.296 3.243 10 0 BGAELO C[C@@H](c1c[nH]c[nH+]1)[C@@H]1CCc2ccccc21 ZINC000011686940 176012915 /nfs/dbraw/zinc/01/29/15/176012915.db2.gz YVTUUJAFPXQJIA-PWSUYJOCSA-N 1 2 212.296 3.243 10 0 BGAELO C[C@@H](c1c[nH+]c[nH]1)[C@H]1CCc2ccccc21 ZINC000011686941 176012596 /nfs/dbraw/zinc/01/25/96/176012596.db2.gz YVTUUJAFPXQJIA-ZYHUDNBSSA-N 1 2 212.296 3.243 10 0 BGAELO C[C@@H](c1c[nH]c[nH+]1)[C@H]1CCc2ccccc21 ZINC000011686941 176012595 /nfs/dbraw/zinc/01/25/95/176012595.db2.gz YVTUUJAFPXQJIA-ZYHUDNBSSA-N 1 2 212.296 3.243 10 0 BGAELO Cc1[nH+]ccc2c3ccc(F)cc3[nH]c21 ZINC000012354759 180208780 /nfs/dbraw/zinc/20/87/80/180208780.db2.gz DCEHWOIKAQDZGV-UHFFFAOYSA-N 1 2 200.216 3.164 10 0 BGAELO CC[C@@H](C)c1ccc(C(=O)Cn2cc[nH+]c2)cc1 ZINC000013209416 343073038 /nfs/dbraw/zinc/07/30/38/343073038.db2.gz OOXCESFTNOWERX-GFCCVEGCSA-N 1 2 242.322 3.280 10 0 BGAELO CC[C@H](C)c1ccc(C(=O)Cn2cc[nH+]c2)cc1 ZINC000013209420 359725212 /nfs/dbraw/zinc/72/52/12/359725212.db2.gz OOXCESFTNOWERX-LBPRGKRZSA-N 1 2 242.322 3.280 10 0 BGAELO Cc1[nH+]c2ccc(Cl)cc2c2c1CCO2 ZINC000013216479 180091647 /nfs/dbraw/zinc/09/16/47/180091647.db2.gz KGUGXKPDOPTYLQ-UHFFFAOYSA-N 1 2 219.671 3.132 10 0 BGAELO Oc1ccc(CCc2[nH]c3ccccc3[nH+]2)cc1 ZINC000013219159 183268648 /nfs/dbraw/zinc/26/86/48/183268648.db2.gz JUMIUJFTGUYSDM-UHFFFAOYSA-N 1 2 238.290 3.054 10 0 BGAELO CCCCOc1ccc(-n2cc[nH+]c2)cc1 ZINC000013530153 343090763 /nfs/dbraw/zinc/09/07/63/343090763.db2.gz QJWFZZZHWWOBNM-UHFFFAOYSA-N 1 2 216.284 3.051 10 0 in-vivo BGAELO CCCCOc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000013530180 342867177 /nfs/dbraw/zinc/86/71/77/342867177.db2.gz QBXIGUJIZJQJQP-UHFFFAOYSA-N 1 2 216.284 3.256 10 0 BGAELO C(c1c[nH]c[nH+]1)=C1CCCc2ccccc21 ZINC000013535865 384856017 /nfs/dbraw/zinc/85/60/17/384856017.db2.gz LBBCKDMLQODDIG-XYOKQWHBSA-N 1 2 210.280 3.287 10 0 BGAELO CNc1ccc(-c2cn3cc(C)ccc3[nH+]2)cc1 ZINC000013558815 384857509 /nfs/dbraw/zinc/85/75/09/384857509.db2.gz BZCLHXUEJWOHES-UHFFFAOYSA-N 1 2 237.306 3.351 10 0 BGAELO S=c1ccc2cc(Cn3cc[nH+]c3)ccc2o1 ZINC000013586728 183314706 /nfs/dbraw/zinc/31/47/06/183314706.db2.gz DUPWCRFJOVHQKN-UHFFFAOYSA-N 1 2 242.303 3.407 10 0 in-vivo BGAELO CCc1[nH+]ccc2c3ccc(F)cc3[nH]c21 ZINC000013587078 187479589 /nfs/dbraw/zinc/47/95/89/187479589.db2.gz DAUHKTOUORBWCY-UHFFFAOYSA-N 1 2 214.243 3.418 10 0 BGAELO Cc1[nH+]ccc2c3cc(F)ccc3[nH]c21 ZINC000013587086 180209121 /nfs/dbraw/zinc/20/91/21/180209121.db2.gz SXFHVXCWQOKTFY-UHFFFAOYSA-N 1 2 200.216 3.164 10 0 BGAELO Cc1[nH+]ccc2c1[nH]c1cccc(F)c12 ZINC000013587087 180209008 /nfs/dbraw/zinc/20/90/08/180209008.db2.gz IZPVJXXNKBMZOD-UHFFFAOYSA-N 1 2 200.216 3.164 10 0 BGAELO COc1cc2ccccc2cc1-n1cc[nH+]c1 ZINC000013674482 175027731 /nfs/dbraw/zinc/02/77/31/175027731.db2.gz HDJQGQGNKJFUSV-UHFFFAOYSA-N 1 2 224.263 3.034 10 0 in-vivo BGAELO COc1ccc2cc(-n3cc[nH+]c3)ccc2c1 ZINC000013674484 175223904 /nfs/dbraw/zinc/22/39/04/175223904.db2.gz IARFMQDFBJWHDO-UHFFFAOYSA-N 1 2 224.263 3.034 10 0 in-vivo BGAELO Cn1c[nH+]cc1-c1ccc2ccccc2c1 ZINC000013674490 343100682 /nfs/dbraw/zinc/10/06/82/343100682.db2.gz XRBMGEDHGFFVFP-UHFFFAOYSA-N 1 2 208.264 3.240 10 0 BGAELO c1[nH]cc(Cc2cccc3ccccc32)[nH+]1 ZINC000013737887 384867852 /nfs/dbraw/zinc/86/78/52/384867852.db2.gz PLUJZEYKAMYHOW-UHFFFAOYSA-N 1 2 208.264 3.154 10 0 BGAELO CO[C@@H](c1c[nH]c[nH+]1)c1cccc2ccccc21 ZINC000013737890 188268862 /nfs/dbraw/zinc/26/88/62/188268862.db2.gz GHEFQYDQTKMXST-OAHLLOKOSA-N 1 2 238.290 3.299 10 0 BGAELO c1[nH]c(CCOc2ccc3ccccc3c2)c[nH+]1 ZINC000013758844 384867840 /nfs/dbraw/zinc/86/78/40/384867840.db2.gz PGMKRSXAILDXTQ-UHFFFAOYSA-N 1 2 238.290 3.184 10 0 BGAELO c1[nH]cc(CCOc2ccc3ccccc3c2)[nH+]1 ZINC000013758844 384867837 /nfs/dbraw/zinc/86/78/37/384867837.db2.gz PGMKRSXAILDXTQ-UHFFFAOYSA-N 1 2 238.290 3.184 10 0 BGAELO c1[nH]c(CCOc2cccc3ccccc32)c[nH+]1 ZINC000013758846 384869598 /nfs/dbraw/zinc/86/95/98/384869598.db2.gz ZHROCCFQLIDXHR-UHFFFAOYSA-N 1 2 238.290 3.184 10 0 BGAELO c1[nH]cc(CCOc2cccc3ccccc32)[nH+]1 ZINC000013758846 384869590 /nfs/dbraw/zinc/86/95/90/384869590.db2.gz ZHROCCFQLIDXHR-UHFFFAOYSA-N 1 2 238.290 3.184 10 0 BGAELO Cc1cccc2c1CCC=C2c1c[nH]c[nH+]1 ZINC000013765303 179213225 /nfs/dbraw/zinc/21/32/25/179213225.db2.gz SVYGIVRBEBBEON-UHFFFAOYSA-N 1 2 210.280 3.096 10 0 BGAELO Cc1cc(C)c2c(c1)[C@H](c1c[nH]c[nH+]1)CCC2 ZINC000013765308 384874397 /nfs/dbraw/zinc/87/43/97/384874397.db2.gz LHLGOGBLIMSQJG-CYBMUJFWSA-N 1 2 226.323 3.495 10 0 BGAELO Cc1cc(C)c2c(c1)[C@@H](c1c[nH]c[nH+]1)CCC2 ZINC000013765310 177883262 /nfs/dbraw/zinc/88/32/62/177883262.db2.gz LHLGOGBLIMSQJG-ZDUSSCGKSA-N 1 2 226.323 3.495 10 0 BGAELO Cc1cc(C)c2c(c1)C(c1c[nH]c[nH+]1)=CCC2 ZINC000013765313 384874265 /nfs/dbraw/zinc/87/42/65/384874265.db2.gz GQDXDQJDNRRLRK-UHFFFAOYSA-N 1 2 224.307 3.404 10 0 BGAELO Cc1cccc2[nH+]cn(-c3ccccc3)c21 ZINC000013782617 179231226 /nfs/dbraw/zinc/23/12/26/179231226.db2.gz IOQOUTRINKBYEG-UHFFFAOYSA-N 1 2 208.264 3.334 10 0 BGAELO c1cn(CC[C@@H]2CCCc3ccccc32)c[nH+]1 ZINC000013808195 384871879 /nfs/dbraw/zinc/87/18/79/384871879.db2.gz IWHDGKMFQQWLPU-AWEZNQCLSA-N 1 2 226.323 3.393 10 0 BGAELO c1cn(CC[C@H]2CCCc3ccccc32)c[nH+]1 ZINC000013808197 384874384 /nfs/dbraw/zinc/87/43/84/384874384.db2.gz IWHDGKMFQQWLPU-CQSZACIVSA-N 1 2 226.323 3.393 10 0 BGAELO c1cn(CCC[C@@H]2CCCc3ncccc32)c[nH+]1 ZINC000013808199 384873310 /nfs/dbraw/zinc/87/33/10/384873310.db2.gz DZIACHPSWDVDES-ZDUSSCGKSA-N 1 2 241.338 3.178 10 0 BGAELO c1cn(CCC[C@H]2CCCc3ncccc32)c[nH+]1 ZINC000013808201 384872726 /nfs/dbraw/zinc/87/27/26/384872726.db2.gz DZIACHPSWDVDES-CYBMUJFWSA-N 1 2 241.338 3.178 10 0 BGAELO c1cn(CCCC2=CCCc3ncccc32)c[nH+]1 ZINC000013808203 343104365 /nfs/dbraw/zinc/10/43/65/343104365.db2.gz JHKBLBMCCJQROB-UHFFFAOYSA-N 1 2 239.322 3.088 10 0 BGAELO c1cn(CC[C@@H]2CCCc3sccc32)c[nH+]1 ZINC000013808209 384874380 /nfs/dbraw/zinc/87/43/80/384874380.db2.gz VXSCOZUNSFZLHG-NSHDSACASA-N 1 2 232.352 3.455 10 0 BGAELO c1cn(CC[C@H]2CCCc3sccc32)c[nH+]1 ZINC000013808211 183470826 /nfs/dbraw/zinc/47/08/26/183470826.db2.gz VXSCOZUNSFZLHG-LLVKDONJSA-N 1 2 232.352 3.455 10 0 BGAELO C(\Cn1cc[nH+]c1)=C1\CCCc2sccc21 ZINC000013808216 384874429 /nfs/dbraw/zinc/87/44/29/384874429.db2.gz RUTWVMBTFHJSGO-NYYWCZLTSA-N 1 2 230.336 3.365 10 0 BGAELO c1cn(CCc2cccc3sccc32)c[nH+]1 ZINC000013808220 183337945 /nfs/dbraw/zinc/33/79/45/183337945.db2.gz ZEWHOUCPWZPPGK-UHFFFAOYSA-N 1 2 228.320 3.341 10 0 in-vivo BGAELO Cc1cc(C)cc(Nc2[nH+]cccc2N)c1 ZINC000015864711 346775789 /nfs/dbraw/zinc/77/57/89/346775789.db2.gz ZIAWKIALTNQZIZ-UHFFFAOYSA-N 1 2 213.284 3.024 10 0 BGAELO COc1[nH+]ccc2c1ccn2Cc1ccccc1 ZINC000016678117 360432833 /nfs/dbraw/zinc/43/28/33/360432833.db2.gz PJHHRTFZSHQBNF-UHFFFAOYSA-N 1 2 238.290 3.093 10 0 BGAELO Nc1ccc(-c2ccc(C(F)(F)F)cc2)c[nH+]1 ZINC000016946515 357338629 /nfs/dbraw/zinc/33/86/29/357338629.db2.gz ILBDUGQRPWLKIR-UHFFFAOYSA-N 1 2 238.212 3.350 10 0 BGAELO C[C@@H]1CCc2ccccc2N1c1ccc(N)c[nH+]1 ZINC000019385443 132324521 /nfs/dbraw/zinc/32/45/21/132324521.db2.gz GNWSNBJZXNZIIC-LLVKDONJSA-N 1 2 239.322 3.137 10 0 BGAELO C[C@H]1CCc2ccccc2N1c1ccc(N)c[nH+]1 ZINC000019385444 132324677 /nfs/dbraw/zinc/32/46/77/132324677.db2.gz GNWSNBJZXNZIIC-NSHDSACASA-N 1 2 239.322 3.137 10 0 BGAELO C[C@@H]1CCc2ccccc2N1c1[nH+]cccc1N ZINC000019386823 132324564 /nfs/dbraw/zinc/32/45/64/132324564.db2.gz PQGYZDRDPCTAFK-LLVKDONJSA-N 1 2 239.322 3.137 10 0 BGAELO C[C@H]1CCc2ccccc2N1c1[nH+]cccc1N ZINC000019386825 132324542 /nfs/dbraw/zinc/32/45/42/132324542.db2.gz PQGYZDRDPCTAFK-NSHDSACASA-N 1 2 239.322 3.137 10 0 BGAELO Cc1cc2[nH+]cn(-c3ccccc3N)c2cc1C ZINC000019397576 178304789 /nfs/dbraw/zinc/30/47/89/178304789.db2.gz OFDHOFDJJNXGOV-UHFFFAOYSA-N 1 2 237.306 3.225 10 0 BGAELO C[C@H](c1ccc(Cl)cc1)[NH+]1CCC(=O)CC1 ZINC000019728824 177033128 /nfs/dbraw/zinc/03/31/28/177033128.db2.gz JNHRATMTHUZQAU-SNVBAGLBSA-N 1 2 237.730 3.066 10 0 BGAELO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCC(=O)CC1 ZINC000019728825 176014155 /nfs/dbraw/zinc/01/41/55/176014155.db2.gz JNHRATMTHUZQAU-JTQLQIEISA-N 1 2 237.730 3.066 10 0 BGAELO CC(C)(C)c1ccc(C[NH+]2CCC(=O)CC2)cc1 ZINC000019729417 187252593 /nfs/dbraw/zinc/25/25/93/187252593.db2.gz MXMWTIVKWHBIBG-UHFFFAOYSA-N 1 2 245.366 3.149 10 0 BGAELO c1ccc(CCCNc2cccc[nH+]2)cc1 ZINC000019777105 183391142 /nfs/dbraw/zinc/39/11/42/183391142.db2.gz YUQGQRCJYJMXEW-UHFFFAOYSA-N 1 2 212.296 3.126 10 0 BGAELO Cc1ccc2c(c1)CCCN2c1ccc(N)c[nH+]1 ZINC000019806436 132327573 /nfs/dbraw/zinc/32/75/73/132327573.db2.gz NPBNWTRBCMODGS-UHFFFAOYSA-N 1 2 239.322 3.057 10 0 BGAELO Cc1ccc2c(c1)CCCN2c1[nH+]cccc1N ZINC000019806438 132327610 /nfs/dbraw/zinc/32/76/10/132327610.db2.gz OYBUUYNZYUUFDB-UHFFFAOYSA-N 1 2 239.322 3.057 10 0 BGAELO Cc1ccc(-c2[nH]c3ccc(N)cc3[nH+]2)cc1C 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ZINC000019807546 385078897 /nfs/dbraw/zinc/07/88/97/385078897.db2.gz RKKNXKDXJZMJRC-BDAKNGLRSA-N 1 2 223.282 3.353 10 0 BGAELO C[C@H]1C[C@H]([NH2+]CC(F)(F)F)CC(C)(C)C1 ZINC000019807547 177368969 /nfs/dbraw/zinc/36/89/69/177368969.db2.gz RKKNXKDXJZMJRC-IUCAKERBSA-N 1 2 223.282 3.353 10 0 BGAELO CC[C@H](C[C@@H](C)CC)[NH2+]CC(F)(F)F ZINC000019807561 171295347 /nfs/dbraw/zinc/29/53/47/171295347.db2.gz QBYHVVZKIRRCGV-DTWKUNHWSA-N 1 2 211.271 3.353 10 0 BGAELO CC[C@H](C)C[C@H](CC)[NH2+]CC(F)(F)F ZINC000019807563 171299133 /nfs/dbraw/zinc/29/91/33/171299133.db2.gz QBYHVVZKIRRCGV-IUCAKERBSA-N 1 2 211.271 3.353 10 0 BGAELO C[C@@H]1CCc2ccccc2N1c1ccc(N)[nH+]c1 ZINC000019868719 132328296 /nfs/dbraw/zinc/32/82/96/132328296.db2.gz DBTLQSDCAXXJNQ-LLVKDONJSA-N 1 2 239.322 3.137 10 0 BGAELO C[C@H]1CCc2ccccc2N1c1ccc(N)[nH+]c1 ZINC000019868721 132328217 /nfs/dbraw/zinc/32/82/17/132328217.db2.gz DBTLQSDCAXXJNQ-NSHDSACASA-N 1 2 239.322 3.137 10 0 BGAELO Cc1ccc2c(c1)CCCN2c1ccc(N)[nH+]c1 ZINC000019868764 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UFXVEJRXXHQJBF-UHFFFAOYSA-N 1 2 223.316 3.162 10 0 BGAELO COc1ccc([NH2+]CCC(C)C)cc1OC ZINC000019908539 175150762 /nfs/dbraw/zinc/15/07/62/175150762.db2.gz INAJTSYMEGBTTO-UHFFFAOYSA-N 1 2 223.316 3.162 10 0 BGAELO CCC[NH2+]c1cc(Cl)c(OC)cc1OC ZINC000019910929 169293919 /nfs/dbraw/zinc/29/39/19/169293919.db2.gz UUGXXZBALGDXCJ-UHFFFAOYSA-N 1 2 229.707 3.179 10 0 BGAELO CSc1cccc(Nc2ccc(N)[nH+]c2)c1 ZINC000019951035 359971209 /nfs/dbraw/zinc/97/12/09/359971209.db2.gz OYEVMVAUFQAWFT-UHFFFAOYSA-N 1 2 231.324 3.129 10 0 BGAELO Nc1ccc(Nc2ccc(Cl)cc2)c[nH+]1 ZINC000019951918 359971535 /nfs/dbraw/zinc/97/15/35/359971535.db2.gz IAXMEMCOXOYWSN-UHFFFAOYSA-N 1 2 219.675 3.061 10 0 BGAELO COc1ccc(Cl)cc1Nc1ccc(N)[nH+]c1 ZINC000019952112 175121806 /nfs/dbraw/zinc/12/18/06/175121806.db2.gz WIJVMLKKAYKCOJ-UHFFFAOYSA-N 1 2 249.701 3.069 10 0 BGAELO COc1ccc(Nc2ccc(N)[nH+]c2)cc1Cl ZINC000019952379 175155979 /nfs/dbraw/zinc/15/59/79/175155979.db2.gz RUBBNKKHHYJQFN-UHFFFAOYSA-N 1 2 249.701 3.069 10 0 BGAELO Cc1c(Cl)cccc1Nc1ccc(N)[nH+]c1 ZINC000019952391 177602066 /nfs/dbraw/zinc/60/20/66/177602066.db2.gz JRNNEWNUJFHMPB-UHFFFAOYSA-N 1 2 233.702 3.369 10 0 BGAELO Cc1cccc(Nc2ccc(N)[nH+]c2)c1C ZINC000019952432 179158408 /nfs/dbraw/zinc/15/84/08/179158408.db2.gz ILVVUAHCOYPZTC-UHFFFAOYSA-N 1 2 213.284 3.024 10 0 BGAELO Cc1cc(Cl)ccc1Nc1ccc(N)[nH+]c1 ZINC000019952486 178069483 /nfs/dbraw/zinc/06/94/83/178069483.db2.gz UJKRXEXADJUYDS-UHFFFAOYSA-N 1 2 233.702 3.369 10 0 BGAELO Cc1ccc(-c2cn3cc(N)ccc3[nH+]2)cc1C ZINC000019953384 178327929 /nfs/dbraw/zinc/32/79/29/178327929.db2.gz CDHPIKRTIBKWHG-UHFFFAOYSA-N 1 2 237.306 3.200 10 0 BGAELO COc1ccccc1N1Cc2ccccc2C1=[NH2+] ZINC000020078753 175336280 /nfs/dbraw/zinc/33/62/80/175336280.db2.gz GDSUEQBPBPFFDI-UHFFFAOYSA-N 1 2 238.290 3.041 10 0 BGAELO [NH2+]=C1c2ccccc2CN1c1cc(F)cc(F)c1 ZINC000020078862 181208194 /nfs/dbraw/zinc/20/81/94/181208194.db2.gz XJNISAJLORNRDL-UHFFFAOYSA-N 1 2 244.244 3.310 10 0 BGAELO Cc1nc([C@@H](C)[NH2+]Cc2ccccn2)c(C)s1 ZINC000020091769 180037157 /nfs/dbraw/zinc/03/71/57/180037157.db2.gz GZWUENGFGFKXMD-SECBINFHSA-N 1 2 247.367 3.006 10 0 BGAELO Cc1nc([C@H](C)[NH2+]Cc2ccccn2)c(C)s1 ZINC000020091771 180048497 /nfs/dbraw/zinc/04/84/97/180048497.db2.gz GZWUENGFGFKXMD-VIFPVBQESA-N 1 2 247.367 3.006 10 0 BGAELO Nc1ccc([NH2+]C2CCCCC2)c(F)c1 ZINC000020135609 342971425 /nfs/dbraw/zinc/97/14/25/342971425.db2.gz QTXCMTYWMKJHBZ-UHFFFAOYSA-N 1 2 208.280 3.153 10 0 BGAELO CCCCC[NH2+]c1ccc(N2CCOCC2)cc1 ZINC000020143880 132330058 /nfs/dbraw/zinc/33/00/58/132330058.db2.gz JQKXKWPMRNOPKA-UHFFFAOYSA-N 1 2 248.370 3.125 10 0 BGAELO CC(C)c1[nH+]c(Br)c2ccccn21 ZINC000020263925 167658507 /nfs/dbraw/zinc/65/85/07/167658507.db2.gz LFZRMDCJAUZQTB-UHFFFAOYSA-N 1 2 239.116 3.220 10 0 BGAELO Cc1cc(Cl)ccc1Nc1[nH+]cccc1N ZINC000020317455 178069371 /nfs/dbraw/zinc/06/93/71/178069371.db2.gz PRLFXTGUGZOFBN-UHFFFAOYSA-N 1 2 233.702 3.369 10 0 BGAELO Nc1ccc[nH+]c1Nc1ccc(F)c(Cl)c1 ZINC000020317462 346781260 /nfs/dbraw/zinc/78/12/60/346781260.db2.gz LQLCGQSMNFTVMT-UHFFFAOYSA-N 1 2 237.665 3.200 10 0 BGAELO Cc1cccc(Nc2[nH+]cccc2N)c1C ZINC000020317486 179160319 /nfs/dbraw/zinc/16/03/19/179160319.db2.gz CVJNQKGLUYQYFV-UHFFFAOYSA-N 1 2 213.284 3.024 10 0 BGAELO Nc1ccc[nH+]c1Nc1ccccc1Cl ZINC000020317490 181759764 /nfs/dbraw/zinc/75/97/64/181759764.db2.gz UGNLSLORCFETTK-UHFFFAOYSA-N 1 2 219.675 3.061 10 0 BGAELO Cc1ccc(C)c(Nc2[nH+]cccc2N)c1 ZINC000020317494 397823470 /nfs/dbraw/zinc/82/34/70/397823470.db2.gz WVPUAHFCVWRLMA-UHFFFAOYSA-N 1 2 213.284 3.024 10 0 BGAELO Cc1ccc(Nc2[nH+]cccc2N)cc1C ZINC000020317502 346781863 /nfs/dbraw/zinc/78/18/63/346781863.db2.gz MHJXBSJFUXEHBU-UHFFFAOYSA-N 1 2 213.284 3.024 10 0 BGAELO Cc1ccc(Cl)cc1Nc1[nH+]cccc1N ZINC000020317509 346782303 /nfs/dbraw/zinc/78/23/03/346782303.db2.gz MNCLVZRBHHTKNH-UHFFFAOYSA-N 1 2 233.702 3.369 10 0 BGAELO Cc1c(Cl)cccc1Nc1[nH+]cccc1N ZINC000020317513 346782048 /nfs/dbraw/zinc/78/20/48/346782048.db2.gz YCXHFPIFSFZBRT-UHFFFAOYSA-N 1 2 233.702 3.369 10 0 BGAELO COc1ccc(Nc2[nH+]cccc2N)cc1Cl ZINC000020317523 385428589 /nfs/dbraw/zinc/42/85/89/385428589.db2.gz QCHUCLJLAYCODE-UHFFFAOYSA-N 1 2 249.701 3.069 10 0 BGAELO Cc1cc(C)c(Nc2[nH+]cccc2N)c(C)c1 ZINC000020317531 384614196 /nfs/dbraw/zinc/61/41/96/384614196.db2.gz JPUBFIZUCRYZFH-UHFFFAOYSA-N 1 2 227.311 3.333 10 0 BGAELO Cc1cccc(C)c1Nc1[nH+]cccc1N ZINC000020317619 179045446 /nfs/dbraw/zinc/04/54/46/179045446.db2.gz HQBSJSDBJCVOMS-UHFFFAOYSA-N 1 2 213.284 3.024 10 0 BGAELO CCc1cccc(C)c1Nc1[nH+]cccc1N ZINC000020317672 171854508 /nfs/dbraw/zinc/85/45/08/171854508.db2.gz PJBPHNBALJMTCY-UHFFFAOYSA-N 1 2 227.311 3.278 10 0 BGAELO Cc1ccc(Nc2[nH+]cccc2N)c(C)c1 ZINC000020317676 346782348 /nfs/dbraw/zinc/78/23/48/346782348.db2.gz WFVCQAUMANWSCL-UHFFFAOYSA-N 1 2 213.284 3.024 10 0 BGAELO Cc1ccc(Nc2[nH+]cccc2N)cc1Cl ZINC000020317706 346781911 /nfs/dbraw/zinc/78/19/11/346781911.db2.gz FCDFYIYPXQXXJQ-UHFFFAOYSA-N 1 2 233.702 3.369 10 0 BGAELO COc1ccc(Cl)cc1Nc1[nH+]cccc1N ZINC000020317718 175121689 /nfs/dbraw/zinc/12/16/89/175121689.db2.gz JBTFPCYVWCTEOA-UHFFFAOYSA-N 1 2 249.701 3.069 10 0 BGAELO Nc1ccc[nH+]c1Nc1cccc(Cl)c1 ZINC000020317804 346782014 /nfs/dbraw/zinc/78/20/14/346782014.db2.gz HZQKHLWFGRPVMZ-UHFFFAOYSA-N 1 2 219.675 3.061 10 0 BGAELO Cc1[nH+]c2ccccc2n1-c1ccc(N)cc1F ZINC000020352179 180101265 /nfs/dbraw/zinc/10/12/65/180101265.db2.gz PCAASAIHQZAJFC-UHFFFAOYSA-N 1 2 241.269 3.055 10 0 BGAELO Nc1c[nH+]ccc1Oc1ccccc1Cl ZINC000020370606 181771495 /nfs/dbraw/zinc/77/14/95/181771495.db2.gz HKWLUAVXWRQFMK-UHFFFAOYSA-N 1 2 220.659 3.110 10 0 BGAELO Nc1c[nH+]ccc1Oc1ccc(Cl)cc1 ZINC000020370609 181770808 /nfs/dbraw/zinc/77/08/08/181770808.db2.gz UIQOOCFLTSNNDV-UHFFFAOYSA-N 1 2 220.659 3.110 10 0 BGAELO Cc1cc(Cl)ccc1Oc1cc[nH+]cc1N ZINC000020370669 178070125 /nfs/dbraw/zinc/07/01/25/178070125.db2.gz YJPIVPLZOGZRGP-UHFFFAOYSA-N 1 2 234.686 3.418 10 0 BGAELO Cc1cc(Oc2cc[nH+]cc2N)ccc1Cl ZINC000020370831 178216130 /nfs/dbraw/zinc/21/61/30/178216130.db2.gz RCIXWRDIXNADJZ-UHFFFAOYSA-N 1 2 234.686 3.418 10 0 BGAELO CCC[NH2+]c1ccc(N)c(C(F)(F)F)c1 ZINC000020381473 169295189 /nfs/dbraw/zinc/29/51/89/169295189.db2.gz DWNNDTPHTNEVLX-UHFFFAOYSA-N 1 2 218.222 3.110 10 0 BGAELO CC(C)[NH2+]c1ccc(N)c(C(F)(F)F)c1 ZINC000020381497 167145749 /nfs/dbraw/zinc/14/57/49/167145749.db2.gz HRNSVYAVRBWUDX-UHFFFAOYSA-N 1 2 218.222 3.108 10 0 BGAELO CC(C)Oc1ccc(Nc2ccc(N)[nH+]c2)cc1 ZINC000020585921 167297961 /nfs/dbraw/zinc/29/79/61/167297961.db2.gz FDDQHLOYLYFEHL-UHFFFAOYSA-N 1 2 243.310 3.195 10 0 BGAELO c1cc(C2=[NH+]CCc3ccccc32)cs1 ZINC000021993627 385162416 /nfs/dbraw/zinc/16/24/16/385162416.db2.gz HBALWXLTPDKZCF-UHFFFAOYSA-N 1 2 213.305 3.142 10 0 BGAELO CCCCc1[nH+]c[nH]c1Cc1ccccc1 ZINC000022000824 169027907 /nfs/dbraw/zinc/02/79/07/169027907.db2.gz PPXHSCDLAZGQKX-UHFFFAOYSA-N 1 2 214.312 3.343 10 0 BGAELO Nc1ccc([NH2+]Cc2ccc(Cl)cc2)cc1N ZINC000022054306 343037488 /nfs/dbraw/zinc/03/74/88/343037488.db2.gz QWWMRIAXTVBRAL-UHFFFAOYSA-N 1 2 247.729 3.117 10 0 in-vitro BGAELO CCCSCc1c[nH+]c2cc(C)ccn12 ZINC000027560917 169339722 /nfs/dbraw/zinc/33/97/22/169339722.db2.gz MAENJOMCZJORJD-UHFFFAOYSA-N 1 2 220.341 3.286 10 0 BGAELO CC[C@@H](C)c1ccc([C@@H](O)Cn2cc[nH+]c2)cc1 ZINC000027857922 384224702 /nfs/dbraw/zinc/22/47/02/384224702.db2.gz QVEXUODERTZIDY-DOMZBBRYSA-N 1 2 244.338 3.130 10 0 BGAELO CC[C@H](C)c1ccc([C@@H](O)Cn2cc[nH+]c2)cc1 ZINC000027857929 384223158 /nfs/dbraw/zinc/22/31/58/384223158.db2.gz QVEXUODERTZIDY-WFASDCNBSA-N 1 2 244.338 3.130 10 0 BGAELO CC[C@@H](C)c1ccc([C@H](O)Cn2cc[nH+]c2)cc1 ZINC000027857937 384222679 /nfs/dbraw/zinc/22/26/79/384222679.db2.gz QVEXUODERTZIDY-IUODEOHRSA-N 1 2 244.338 3.130 10 0 BGAELO CC[C@H](C)c1ccc([C@H](O)Cn2cc[nH+]c2)cc1 ZINC000027857944 384224716 /nfs/dbraw/zinc/22/47/16/384224716.db2.gz QVEXUODERTZIDY-SWLSCSKDSA-N 1 2 244.338 3.130 10 0 BGAELO CCCCCc1[nH]c2ccc(NC(C)=O)cc2[nH+]1 ZINC000028000474 344324485 /nfs/dbraw/zinc/32/44/85/344324485.db2.gz JOGVEJFWNMYIGL-UHFFFAOYSA-N 1 2 245.326 3.254 10 0 BGAELO Cc1cccc(C)c1Nc1nccn2c[nH+]cc12 ZINC000028641541 179045045 /nfs/dbraw/zinc/04/50/45/179045045.db2.gz YZINSVARUHMMPT-UHFFFAOYSA-N 1 2 238.294 3.090 10 0 BGAELO Cc1cc(-c2cc(N)ccc2F)cc(C)[nH+]1 ZINC000028761502 344413517 /nfs/dbraw/zinc/41/35/17/344413517.db2.gz VYSKOXOMSHZQLE-UHFFFAOYSA-N 1 2 216.259 3.087 10 0 BGAELO C[N@H+]1CCN(c2ccccc2)[C@@H]1c1ccccc1 ZINC000029132687 173095139 /nfs/dbraw/zinc/09/51/39/173095139.db2.gz PHVZEWGFVRMOPG-MRXNPFEDSA-N 1 2 238.334 3.137 10 0 BGAELO C[N@@H+]1CCN(c2ccccc2)[C@@H]1c1ccccc1 ZINC000029132687 173095137 /nfs/dbraw/zinc/09/51/37/173095137.db2.gz PHVZEWGFVRMOPG-MRXNPFEDSA-N 1 2 238.334 3.137 10 0 BGAELO CC1=C(Cc2[nH]cc[nH+]2)CCc2ccccc21 ZINC000029245188 168087721 /nfs/dbraw/zinc/08/77/21/168087721.db2.gz ZDEZZEXVRHVGGC-UHFFFAOYSA-N 1 2 224.307 3.372 10 0 BGAELO C(\Cn1cc[nH+]c1)=C1/CCCc2sccc21 ZINC000029544827 344668888 /nfs/dbraw/zinc/66/88/88/344668888.db2.gz RUTWVMBTFHJSGO-WCIBSUBMSA-N 1 2 230.336 3.365 10 0 BGAELO Cc1cc2[nH]c(C(C)(C)C)[nH+]c2cc1C ZINC000031943788 178300229 /nfs/dbraw/zinc/30/02/29/178300229.db2.gz PSWXNCCCBMILCK-UHFFFAOYSA-N 1 2 202.301 3.477 10 0 BGAELO CCC[NH2+]c1ccc(N2CCCC2)cc1 ZINC000032010385 169295260 /nfs/dbraw/zinc/29/52/60/169295260.db2.gz DRTKKQIMVCMXGI-UHFFFAOYSA-N 1 2 204.317 3.109 10 0 BGAELO CCCNc1ccc([NH+]2CCCC2)cc1 ZINC000032010385 169295259 /nfs/dbraw/zinc/29/52/59/169295259.db2.gz DRTKKQIMVCMXGI-UHFFFAOYSA-N 1 2 204.317 3.109 10 0 BGAELO c1cc([NH+]2CCCCC2)cc2c1CCCN2 ZINC000032013139 183368904 /nfs/dbraw/zinc/36/89/04/183368904.db2.gz IDJDYZHLFANPLR-UHFFFAOYSA-N 1 2 216.328 3.035 10 0 BGAELO CCC[NH2+]c1ccc(N2CCCCC2)cc1 ZINC000032013358 169294961 /nfs/dbraw/zinc/29/49/61/169294961.db2.gz IMAJEXPCHFIYRR-UHFFFAOYSA-N 1 2 218.344 3.499 10 0 BGAELO c1cc2c(cc1[NH+]1CCCCCC1)NCCC2 ZINC000032015960 183369743 /nfs/dbraw/zinc/36/97/43/183369743.db2.gz JZNMUKGRPQAIIU-UHFFFAOYSA-N 1 2 230.355 3.425 10 0 BGAELO CN(C)c1ccc([NH2+]CCc2ccccc2)cc1 ZINC000032090414 641736833 /nfs/dbraw/zinc/73/68/33/641736833.db2.gz PGQZPIAFJJHRNP-UHFFFAOYSA-N 1 2 240.350 3.407 10 0 BGAELO C[NH+](C)c1ccc(NCCc2ccccc2)cc1 ZINC000032090414 641736831 /nfs/dbraw/zinc/73/68/31/641736831.db2.gz PGQZPIAFJJHRNP-UHFFFAOYSA-N 1 2 240.350 3.407 10 0 BGAELO Nc1cc[nH+]c2c(Cl)ccc(Cl)c12 ZINC000032099400 343229662 /nfs/dbraw/zinc/22/96/62/343229662.db2.gz VAMYJFOVVUCEHF-UHFFFAOYSA-N 1 2 213.067 3.124 10 0 BGAELO C[NH+](C)c1ccc(NCc2ccc(O)cc2)cc1 ZINC000032100245 343142072 /nfs/dbraw/zinc/14/20/72/343142072.db2.gz CEIWIFBTCBSWIN-UHFFFAOYSA-N 1 2 242.322 3.070 10 0 BGAELO CC(C)CC1S[C@H](C)[NH2+][C@@H](C)S1 ZINC000032166988 343230749 /nfs/dbraw/zinc/23/07/49/343230749.db2.gz FVPPILNIVWRBNY-HTQZYQBOSA-N 1 2 205.392 3.120 10 0 endogenous,in-man BGAELO CC(C)CC1S[C@@H](C)[NH2+][C@H](C)S1 ZINC000032166990 343230521 /nfs/dbraw/zinc/23/05/21/343230521.db2.gz FVPPILNIVWRBNY-YUMQZZPRSA-N 1 2 205.392 3.120 10 0 endogenous,in-man BGAELO COc1ccc(NC2=[NH+]Cc3ccccc32)cc1 ZINC000032611755 175150075 /nfs/dbraw/zinc/15/00/75/175150075.db2.gz LXLRHKLXQWDTCN-UHFFFAOYSA-N 1 2 238.290 3.068 10 0 BGAELO Clc1cccc(Cl)c1Cc1c[nH]c[nH+]1 ZINC000033876223 343261922 /nfs/dbraw/zinc/26/19/22/343261922.db2.gz AWQNDSCEDWOTCX-UHFFFAOYSA-N 1 2 227.094 3.307 10 0 BGAELO c1[nH]c(C[C@H](c2ccccc2)c2ccccn2)c[nH+]1 ZINC000033901138 385270219 /nfs/dbraw/zinc/27/02/19/385270219.db2.gz LSWUZXAGBNEFTE-OAHLLOKOSA-N 1 2 249.317 3.179 10 0 BGAELO c1[nH]cc(C[C@H](c2ccccc2)c2ccccn2)[nH+]1 ZINC000033901138 385270214 /nfs/dbraw/zinc/27/02/14/385270214.db2.gz LSWUZXAGBNEFTE-OAHLLOKOSA-N 1 2 249.317 3.179 10 0 BGAELO c1[nH]c(C[C@@H](c2ccccc2)c2ccccn2)c[nH+]1 ZINC000033901139 385269812 /nfs/dbraw/zinc/26/98/12/385269812.db2.gz LSWUZXAGBNEFTE-HNNXBMFYSA-N 1 2 249.317 3.179 10 0 BGAELO c1[nH]cc(C[C@@H](c2ccccc2)c2ccccn2)[nH+]1 ZINC000033901139 385269806 /nfs/dbraw/zinc/26/98/06/385269806.db2.gz LSWUZXAGBNEFTE-HNNXBMFYSA-N 1 2 249.317 3.179 10 0 BGAELO c1[nH]c(C[C@H]2C=C(C3CC3)CCC2)c[nH+]1 ZINC000033992395 345814946 /nfs/dbraw/zinc/81/49/46/345814946.db2.gz OQNIOJFXPVLEOP-SNVBAGLBSA-N 1 2 202.301 3.089 10 0 BGAELO c1[nH]cc(C[C@H]2C=C(C3CC3)CCC2)[nH+]1 ZINC000033992395 345814945 /nfs/dbraw/zinc/81/49/45/345814945.db2.gz OQNIOJFXPVLEOP-SNVBAGLBSA-N 1 2 202.301 3.089 10 0 BGAELO c1[nH]c(C[C@@H]2C=C(C3CC3)CCC2)c[nH+]1 ZINC000033992396 345814892 /nfs/dbraw/zinc/81/48/92/345814892.db2.gz OQNIOJFXPVLEOP-JTQLQIEISA-N 1 2 202.301 3.089 10 0 BGAELO c1[nH]cc(C[C@@H]2C=C(C3CC3)CCC2)[nH+]1 ZINC000033992396 345814890 /nfs/dbraw/zinc/81/48/90/345814890.db2.gz OQNIOJFXPVLEOP-JTQLQIEISA-N 1 2 202.301 3.089 10 0 BGAELO c1[nH]c(C[C@H]2CCCc3ccccc32)c[nH+]1 ZINC000033992475 345814828 /nfs/dbraw/zinc/81/48/28/345814828.db2.gz VFXTUXUMIJBKKH-GFCCVEGCSA-N 1 2 212.296 3.072 10 0 BGAELO c1[nH]cc(C[C@H]2CCCc3ccccc32)[nH+]1 ZINC000033992475 345814826 /nfs/dbraw/zinc/81/48/26/345814826.db2.gz VFXTUXUMIJBKKH-GFCCVEGCSA-N 1 2 212.296 3.072 10 0 BGAELO c1[nH]c(C[C@@H]2CCCc3ccccc32)c[nH+]1 ZINC000033992476 345814992 /nfs/dbraw/zinc/81/49/92/345814992.db2.gz VFXTUXUMIJBKKH-LBPRGKRZSA-N 1 2 212.296 3.072 10 0 BGAELO c1[nH]cc(C[C@@H]2CCCc3ccccc32)[nH+]1 ZINC000033992476 345814989 /nfs/dbraw/zinc/81/49/89/345814989.db2.gz VFXTUXUMIJBKKH-LBPRGKRZSA-N 1 2 212.296 3.072 10 0 BGAELO CCC1=C(C)CC[C@H](Cc2c[nH+]c[nH]2)C1 ZINC000034049917 187321743 /nfs/dbraw/zinc/32/17/43/187321743.db2.gz DCDRMQPRJQAZKY-NSHDSACASA-N 1 2 204.317 3.479 10 0 BGAELO CCC1=C(C)CC[C@H](Cc2c[nH]c[nH+]2)C1 ZINC000034049917 187321742 /nfs/dbraw/zinc/32/17/42/187321742.db2.gz DCDRMQPRJQAZKY-NSHDSACASA-N 1 2 204.317 3.479 10 0 BGAELO CCC1=C(C)CC[C@@H](Cc2c[nH+]c[nH]2)C1 ZINC000034049918 345815462 /nfs/dbraw/zinc/81/54/62/345815462.db2.gz DCDRMQPRJQAZKY-LLVKDONJSA-N 1 2 204.317 3.479 10 0 BGAELO CCC1=C(C)CC[C@@H](Cc2c[nH]c[nH+]2)C1 ZINC000034049918 345815461 /nfs/dbraw/zinc/81/54/61/345815461.db2.gz DCDRMQPRJQAZKY-LLVKDONJSA-N 1 2 204.317 3.479 10 0 BGAELO c1[nH]c2ccc(Oc3ccccc3)cc2[nH+]1 ZINC000034077909 187766395 /nfs/dbraw/zinc/76/63/95/187766395.db2.gz KCPDTSRPPDALMQ-UHFFFAOYSA-N 1 2 210.236 3.355 10 0 BGAELO Cc1ccc(-c2cccn3cc[nH+]c23)cc1 ZINC000034144219 178327477 /nfs/dbraw/zinc/32/74/77/178327477.db2.gz RGEJNNAXIZLTNO-UHFFFAOYSA-N 1 2 208.264 3.310 10 0 BGAELO C[C@@H]1CCCn2c3ccccc3[nH+]c2C1 ZINC000034216054 176154207 /nfs/dbraw/zinc/15/42/07/176154207.db2.gz SHPGULKVVYVOPM-SNVBAGLBSA-N 1 2 200.285 3.009 10 0 BGAELO C[C@H]1CCCn2c3ccccc3[nH+]c2C1 ZINC000034216055 177145064 /nfs/dbraw/zinc/14/50/64/177145064.db2.gz SHPGULKVVYVOPM-JTQLQIEISA-N 1 2 200.285 3.009 10 0 BGAELO c1[nH]cc(Cc2ccc3ccccc3c2)[nH+]1 ZINC000034317805 398343352 /nfs/dbraw/zinc/34/33/52/398343352.db2.gz IVQBOAYNEIGUAQ-UHFFFAOYSA-N 1 2 208.264 3.154 10 0 BGAELO Cc1[nH+]c2ccccc2n1C1CCCC1 ZINC000034408635 180101761 /nfs/dbraw/zinc/10/17/61/180101761.db2.gz OYNIYQSITZBNAN-UHFFFAOYSA-N 1 2 200.285 3.460 10 0 BGAELO Cc1[nH]c2c(cc(Br)c(C)c2C)[nH+]1 ZINC000034440635 180063503 /nfs/dbraw/zinc/06/35/03/180063503.db2.gz RIDBPGUODWFFGV-UHFFFAOYSA-N 1 2 239.116 3.251 10 0 BGAELO COc1cc[nH+]c(/C=C\c2ccccc2)c1 ZINC000034455558 175357351 /nfs/dbraw/zinc/35/73/51/175357351.db2.gz ILZQVFGYKFPQKI-FPLPWBNLSA-N 1 2 211.264 3.261 10 0 BGAELO CCCC(=O)CCC[NH2+]c1ccc(OC)cc1 ZINC000034506687 345830205 /nfs/dbraw/zinc/83/02/05/345830205.db2.gz IGXJCHHVINBCCL-UHFFFAOYSA-N 1 2 235.327 3.257 10 0 BGAELO Nc1[nH+]ccc2c1cccc2-c1cccc(O)c1 ZINC000034544597 352650368 /nfs/dbraw/zinc/65/03/68/352650368.db2.gz OSQBRESWBRGMBK-UHFFFAOYSA-N 1 2 236.274 3.190 10 0 BGAELO CCCc1c[nH]c([C@@H]2Cc3ccccc3N2)[nH+]1 ZINC000034564270 345832195 /nfs/dbraw/zinc/83/21/95/345832195.db2.gz IXRMNUIDDXDZER-ZDUSSCGKSA-N 1 2 227.311 3.072 10 0 BGAELO CC(C)C[NH2+]c1ccc(N)c(C(F)(F)F)c1 ZINC000034939557 167016499 /nfs/dbraw/zinc/01/64/99/167016499.db2.gz UCAUSNISCIDSFY-UHFFFAOYSA-N 1 2 232.249 3.356 10 0 BGAELO CC[N@H+](c1ccc(CO)cc1)C1CCCCC1 ZINC000034956818 351362045 /nfs/dbraw/zinc/36/20/45/351362045.db2.gz MFFBCYXMHXFPOW-UHFFFAOYSA-N 1 2 233.355 3.338 10 0 BGAELO CC[N@@H+](c1ccc(CO)cc1)C1CCCCC1 ZINC000034956818 351362042 /nfs/dbraw/zinc/36/20/42/351362042.db2.gz MFFBCYXMHXFPOW-UHFFFAOYSA-N 1 2 233.355 3.338 10 0 BGAELO CC(C)(C)[NH2+]c1ccc(N)c(C(F)(F)F)c1 ZINC000034964379 351367754 /nfs/dbraw/zinc/36/77/54/351367754.db2.gz QEGVFDFDBHJGHN-UHFFFAOYSA-N 1 2 232.249 3.498 10 0 BGAELO Cc1cc([NH3+])ccc1NCc1cccc(F)c1 ZINC000034978372 178107543 /nfs/dbraw/zinc/10/75/43/178107543.db2.gz RCQDTGXDKIHGSU-UHFFFAOYSA-N 1 2 230.286 3.328 10 0 BGAELO O=C(C[NH+]1CCCCC1)c1cccc(Cl)c1 ZINC000035020083 351384416 /nfs/dbraw/zinc/38/44/16/351384416.db2.gz JBRNWEAXGNNPPO-UHFFFAOYSA-N 1 2 237.730 3.009 10 0 BGAELO CCCCOc1ccccc1-c1[nH]cc[nH+]1 ZINC000035029672 343283337 /nfs/dbraw/zinc/28/33/37/343283337.db2.gz DNUGAUJVJCYXCW-UHFFFAOYSA-N 1 2 216.284 3.256 10 0 BGAELO CC(C)COc1ccccc1-c1[nH]cc[nH+]1 ZINC000035029674 343283074 /nfs/dbraw/zinc/28/30/74/343283074.db2.gz XSPXENFNPPMCTB-UHFFFAOYSA-N 1 2 216.284 3.112 10 0 BGAELO CC[C@@H](C)Oc1ccccc1-c1[nH]cc[nH+]1 ZINC000035029676 343283272 /nfs/dbraw/zinc/28/32/72/343283272.db2.gz VKPXFAXESZJCAB-SNVBAGLBSA-N 1 2 216.284 3.254 10 0 BGAELO CC[C@H](C)Oc1ccccc1-c1[nH]cc[nH+]1 ZINC000035029678 171357176 /nfs/dbraw/zinc/35/71/76/171357176.db2.gz VKPXFAXESZJCAB-JTQLQIEISA-N 1 2 216.284 3.254 10 0 BGAELO CC1CC[NH+](c2ccc(N)c3ncccc23)CC1 ZINC000035059837 132337602 /nfs/dbraw/zinc/33/76/02/132337602.db2.gz VSBYRIRFORDFRJ-UHFFFAOYSA-N 1 2 241.338 3.053 10 0 BGAELO CCC[NH+](CCC)c1ccc(N)c2ncccc12 ZINC000035059865 169152407 /nfs/dbraw/zinc/15/24/07/169152407.db2.gz KWQCRAVQYIELTC-UHFFFAOYSA-N 1 2 243.354 3.443 10 0 BGAELO CC1CCN(c2ccc3cc(N)ccc3[nH+]2)CC1 ZINC000035060470 132337511 /nfs/dbraw/zinc/33/75/11/132337511.db2.gz ZTRMVESHDYRFPI-UHFFFAOYSA-N 1 2 241.338 3.053 10 0 BGAELO C[C@@H]1CCCCN1c1ccc2cc(N)ccc2[nH+]1 ZINC000035060473 132337488 /nfs/dbraw/zinc/33/74/88/132337488.db2.gz QYVAKRKGWSHZOR-LLVKDONJSA-N 1 2 241.338 3.196 10 0 BGAELO C[C@H]1CCCCN1c1ccc2cc(N)ccc2[nH+]1 ZINC000035060476 132337498 /nfs/dbraw/zinc/33/74/98/132337498.db2.gz QYVAKRKGWSHZOR-NSHDSACASA-N 1 2 241.338 3.196 10 0 BGAELO CCCN(CCC)c1ccc2cc(N)ccc2[nH+]1 ZINC000035060500 169153584 /nfs/dbraw/zinc/15/35/84/169153584.db2.gz ITJYQYMNKARPSV-UHFFFAOYSA-N 1 2 243.354 3.443 10 0 BGAELO C[C@H](Nc1cccc[nH+]1)c1cccs1 ZINC000035127958 355839927 /nfs/dbraw/zinc/83/99/27/355839927.db2.gz AYQQMUDMNQSZHV-VIFPVBQESA-N 1 2 204.298 3.316 10 0 BGAELO C[C@@H](Nc1cccc[nH+]1)c1cccs1 ZINC000035127960 356704325 /nfs/dbraw/zinc/70/43/25/356704325.db2.gz AYQQMUDMNQSZHV-SECBINFHSA-N 1 2 204.298 3.316 10 0 BGAELO [NH3+][C@@H](c1ccco1)c1ccc(Cl)s1 ZINC000035186331 355873806 /nfs/dbraw/zinc/87/38/06/355873806.db2.gz GMYGSYFNHBHYFH-VIFPVBQESA-N 1 2 213.689 3.043 10 0 BGAELO [NH3+][C@H](c1ccco1)c1ccc(Cl)s1 ZINC000035186332 355874252 /nfs/dbraw/zinc/87/42/52/355874252.db2.gz GMYGSYFNHBHYFH-SECBINFHSA-N 1 2 213.689 3.043 10 0 BGAELO Cc1cc([NH2+]CCc2ccccc2)ccc1N ZINC000035277749 178163486 /nfs/dbraw/zinc/16/34/86/178163486.db2.gz MSMNMHRAJYPFPJ-UHFFFAOYSA-N 1 2 226.323 3.232 10 0 BGAELO CCC(C)(C)Oc1ccc(N)c2c[nH+]ccc12 ZINC000035333210 168304800 /nfs/dbraw/zinc/30/48/00/168304800.db2.gz TXTHJVROTOGVMV-UHFFFAOYSA-N 1 2 230.311 3.384 10 0 BGAELO CCC[N@@H+](CC)c1ccc(N)c2ncccc12 ZINC000035340771 169133762 /nfs/dbraw/zinc/13/37/62/169133762.db2.gz YOVXWJJHINQHHM-UHFFFAOYSA-N 1 2 229.327 3.053 10 0 BGAELO CCC[N@H+](CC)c1ccc(N)c2ncccc12 ZINC000035340771 169133761 /nfs/dbraw/zinc/13/37/61/169133761.db2.gz YOVXWJJHINQHHM-UHFFFAOYSA-N 1 2 229.327 3.053 10 0 BGAELO CC[C@H](C)[N@@H+](C)c1ccc(N)c2ncccc12 ZINC000035340782 171309986 /nfs/dbraw/zinc/30/99/86/171309986.db2.gz YUQSOXRQAGHAEY-JTQLQIEISA-N 1 2 229.327 3.052 10 0 BGAELO CC[C@H](C)[N@H+](C)c1ccc(N)c2ncccc12 ZINC000035340782 171309983 /nfs/dbraw/zinc/30/99/83/171309983.db2.gz YUQSOXRQAGHAEY-JTQLQIEISA-N 1 2 229.327 3.052 10 0 BGAELO CC[C@H](C)Nc1ccc2cc(N)ccc2[nH+]1 ZINC000035343254 171349647 /nfs/dbraw/zinc/34/96/47/171349647.db2.gz ZVXSCSPWGUPQCG-VIFPVBQESA-N 1 2 215.300 3.027 10 0 BGAELO CCC(CC)Nc1ccc2cc(N)ccc2[nH+]1 ZINC000035343263 168393943 /nfs/dbraw/zinc/39/39/43/168393943.db2.gz FSVJAZIFRVADQS-UHFFFAOYSA-N 1 2 229.327 3.418 10 0 BGAELO CCC[C@@H](C)Nc1ccc2cc(N)ccc2[nH+]1 ZINC000035343292 169372761 /nfs/dbraw/zinc/37/27/61/169372761.db2.gz UPCXBLAXUXLTIK-SNVBAGLBSA-N 1 2 229.327 3.418 10 0 BGAELO Nc1ccc2[nH+]c(NCc3ccccc3)ccc2c1 ZINC000035343300 357192054 /nfs/dbraw/zinc/19/20/54/357192054.db2.gz VETGTFZZARURME-UHFFFAOYSA-N 1 2 249.317 3.429 10 0 BGAELO CC(C)[C@@H](C)Nc1ccc2cc(N)ccc2[nH+]1 ZINC000035343432 167387988 /nfs/dbraw/zinc/38/79/88/167387988.db2.gz VJVCJUJQVNPRQV-SNVBAGLBSA-N 1 2 229.327 3.273 10 0 BGAELO CC(C)[C@H](C)Nc1ccc2cc(N)ccc2[nH+]1 ZINC000035343434 188111898 /nfs/dbraw/zinc/11/18/98/188111898.db2.gz VJVCJUJQVNPRQV-JTQLQIEISA-N 1 2 229.327 3.273 10 0 BGAELO CCC(C)(C)Nc1ccc2cc(N)ccc2[nH+]1 ZINC000035343442 168303406 /nfs/dbraw/zinc/30/34/06/168303406.db2.gz RGWLDALXIKZYQG-UHFFFAOYSA-N 1 2 229.327 3.418 10 0 BGAELO CCCN(CC)c1ccc2cc(N)ccc2[nH+]1 ZINC000035343675 169134319 /nfs/dbraw/zinc/13/43/19/169134319.db2.gz YCWOQBUGIJKIRG-UHFFFAOYSA-N 1 2 229.327 3.053 10 0 BGAELO CC[C@H](C)N(C)c1ccc2cc(N)ccc2[nH+]1 ZINC000035343682 171309749 /nfs/dbraw/zinc/30/97/49/171309749.db2.gz UIKQFUFCCWSBQN-JTQLQIEISA-N 1 2 229.327 3.052 10 0 BGAELO Clc1cccc([C@@H]2[NH2+]CCS2)c1Cl ZINC000035506137 357592797 /nfs/dbraw/zinc/59/27/97/357592797.db2.gz QAQYEIQQWUBXGF-SECBINFHSA-N 1 2 234.151 3.328 10 0 BGAELO Clc1cccc([C@H]2[NH2+]CCS2)c1Cl ZINC000035506140 357591918 /nfs/dbraw/zinc/59/19/18/357591918.db2.gz QAQYEIQQWUBXGF-VIFPVBQESA-N 1 2 234.151 3.328 10 0 BGAELO Cc1cc(Nc2cccc(N)c2)nc(C(C)C)[nH+]1 ZINC000035663813 178193733 /nfs/dbraw/zinc/19/37/33/178193733.db2.gz UUKPABVDJCIJFR-UHFFFAOYSA-N 1 2 242.326 3.234 10 0 BGAELO Cc1cc([NH3+])ccc1N[C@@H](C)c1cccnc1 ZINC000035692027 178106552 /nfs/dbraw/zinc/10/65/52/178106552.db2.gz DDXBZBXQASKWQB-NSHDSACASA-N 1 2 227.311 3.145 10 0 BGAELO Cc1cc([NH3+])ccc1N[C@H](C)c1cccnc1 ZINC000035692028 178106974 /nfs/dbraw/zinc/10/69/74/178106974.db2.gz DDXBZBXQASKWQB-LLVKDONJSA-N 1 2 227.311 3.145 10 0 BGAELO Cc1cc([NH3+])ccc1N[C@@H](C)c1ccncc1 ZINC000035693187 178106537 /nfs/dbraw/zinc/10/65/37/178106537.db2.gz KSWHAOVPPGILMT-NSHDSACASA-N 1 2 227.311 3.145 10 0 BGAELO Cc1cc([NH3+])ccc1N[C@H](C)c1ccncc1 ZINC000035693189 178106924 /nfs/dbraw/zinc/10/69/24/178106924.db2.gz KSWHAOVPPGILMT-LLVKDONJSA-N 1 2 227.311 3.145 10 0 BGAELO Cc1cc([NH3+])ccc1N[C@@H](C)c1ccccn1 ZINC000035694664 178106763 /nfs/dbraw/zinc/10/67/63/178106763.db2.gz YGAQXKCYYSPJSC-NSHDSACASA-N 1 2 227.311 3.145 10 0 BGAELO Cc1cc([NH3+])ccc1N[C@H](C)c1ccccn1 ZINC000035694665 178107609 /nfs/dbraw/zinc/10/76/09/178107609.db2.gz YGAQXKCYYSPJSC-LLVKDONJSA-N 1 2 227.311 3.145 10 0 BGAELO C[C@H](Nc1ccc2ccccc2[nH+]1)[C@@H]1CCCO1 ZINC000035736231 343303020 /nfs/dbraw/zinc/30/30/20/343303020.db2.gz AVWAQFQMFDULSX-FZMZJTMJSA-N 1 2 242.322 3.214 10 0 BGAELO C[C@@H](Nc1ccc2ccccc2[nH+]1)[C@@H]1CCCO1 ZINC000035736232 343303062 /nfs/dbraw/zinc/30/30/62/343303062.db2.gz AVWAQFQMFDULSX-RISCZKNCSA-N 1 2 242.322 3.214 10 0 BGAELO C[C@H](Nc1ccc2ccccc2[nH+]1)[C@H]1CCCO1 ZINC000035736233 343303107 /nfs/dbraw/zinc/30/31/07/343303107.db2.gz AVWAQFQMFDULSX-SMDDNHRTSA-N 1 2 242.322 3.214 10 0 BGAELO C[C@@H](Nc1ccc2ccccc2[nH+]1)[C@H]1CCCO1 ZINC000035736234 343303090 /nfs/dbraw/zinc/30/30/90/343303090.db2.gz AVWAQFQMFDULSX-BXUZGUMPSA-N 1 2 242.322 3.214 10 0 BGAELO Cc1cc([NH3+])ccc1N[C@@H](C)c1ccco1 ZINC000035739199 178107009 /nfs/dbraw/zinc/10/70/09/178107009.db2.gz ZBHPXRAQFKRNPB-JTQLQIEISA-N 1 2 216.284 3.343 10 0 BGAELO Cc1cc([NH3+])ccc1N[C@H](C)c1ccco1 ZINC000035739200 178106920 /nfs/dbraw/zinc/10/69/20/178106920.db2.gz ZBHPXRAQFKRNPB-SNVBAGLBSA-N 1 2 216.284 3.343 10 0 BGAELO Cc1cc([NH3+])ccc1N(C)Cc1ccccc1F ZINC000036131573 178105460 /nfs/dbraw/zinc/10/54/60/178105460.db2.gz BQXYFORIYMSJDR-UHFFFAOYSA-N 1 2 244.313 3.353 10 0 BGAELO Cc1cc([NH3+])ccc1N(C)Cc1ccc(F)cc1 ZINC000036131636 178105812 /nfs/dbraw/zinc/10/58/12/178105812.db2.gz IEEZTHDVFSGOLQ-UHFFFAOYSA-N 1 2 244.313 3.353 10 0 BGAELO Cc1cc(N)c[nH+]c1N1c2ccccc2C[C@H]1C ZINC000036241598 188112220 /nfs/dbraw/zinc/11/22/20/188112220.db2.gz KSXZWSLXIZHYEA-LLVKDONJSA-N 1 2 239.322 3.055 10 0 BGAELO Cc1c[nH+]c(N2CCCc3ccccc32)c(N)c1 ZINC000036242827 132341447 /nfs/dbraw/zinc/34/14/47/132341447.db2.gz CGNXGQIQOQSKJV-UHFFFAOYSA-N 1 2 239.322 3.057 10 0 BGAELO CC(C)c1cn2cc(Br)ccc2[nH+]1 ZINC000036259714 343313451 /nfs/dbraw/zinc/31/34/51/343313451.db2.gz WXZNIIBLUVBSMI-UHFFFAOYSA-N 1 2 239.116 3.220 10 0 BGAELO Cc1ccccc1-c1[nH]c2c(cccc2N)[nH+]1 ZINC000036281890 179238385 /nfs/dbraw/zinc/23/83/85/179238385.db2.gz GURZWIBTGTUMNF-UHFFFAOYSA-N 1 2 223.279 3.121 10 0 BGAELO Cc1ccc(-c2[nH]c3c(cccc3N)[nH+]2)cc1 ZINC000036281896 178337519 /nfs/dbraw/zinc/33/75/19/178337519.db2.gz RSZADVMKDJHCAA-UHFFFAOYSA-N 1 2 223.279 3.121 10 0 BGAELO Cc1ccc(-c2[nH]c3c(cccc3N)[nH+]2)cc1C ZINC000036281926 178337145 /nfs/dbraw/zinc/33/71/45/178337145.db2.gz AVCKCVRSMHOQRA-UHFFFAOYSA-N 1 2 237.306 3.429 10 0 BGAELO Nc1cccc2[nH+]c(-c3ccccc3Cl)[nH]c21 ZINC000036281956 188112194 /nfs/dbraw/zinc/11/21/94/188112194.db2.gz IJPGPUBVFHNRPS-UHFFFAOYSA-N 1 2 243.697 3.466 10 0 BGAELO Nc1cccc2[nH+]c(-c3cccc(Cl)c3)[nH]c21 ZINC000036281958 187939704 /nfs/dbraw/zinc/93/97/04/187939704.db2.gz RRRQPGMGAIJIJN-UHFFFAOYSA-N 1 2 243.697 3.466 10 0 BGAELO Nc1cccc2[nH+]c(-c3ccc(Cl)cc3)[nH]c21 ZINC000036281960 187259134 /nfs/dbraw/zinc/25/91/34/187259134.db2.gz IFEBFAURMBPQEC-UHFFFAOYSA-N 1 2 243.697 3.466 10 0 BGAELO O=C1CC[NH+](Cc2ccc3ccccc3c2)CC1 ZINC000036468012 343014978 /nfs/dbraw/zinc/01/49/78/343014978.db2.gz NLLCMHIEDAAFLP-UHFFFAOYSA-N 1 2 239.318 3.005 10 0 BGAELO Cc1cc([NH2+]CCc2cccc(F)c2)ccc1N ZINC000036779524 178163854 /nfs/dbraw/zinc/16/38/54/178163854.db2.gz KCVPPNAQJCKURF-UHFFFAOYSA-N 1 2 244.313 3.371 10 0 BGAELO Cc1cc(N)ccc1[NH2+]CCc1cccc(F)c1 ZINC000036779530 178106697 /nfs/dbraw/zinc/10/66/97/178106697.db2.gz ZSNRXFWPSXFHEZ-UHFFFAOYSA-N 1 2 244.313 3.371 10 0 BGAELO CC(C)[C@@H](C)N(C)c1ccc2cc(N)ccc2[nH+]1 ZINC000036787053 167370143 /nfs/dbraw/zinc/37/01/43/167370143.db2.gz KZJHEESCNBPFIZ-LLVKDONJSA-N 1 2 243.354 3.298 10 0 BGAELO CC(C)[C@@H](C)[N@@H+](C)c1ccc(N)c2ncccc21 ZINC000036787061 167370540 /nfs/dbraw/zinc/37/05/40/167370540.db2.gz QBZUJXLLBGUPDZ-LLVKDONJSA-N 1 2 243.354 3.298 10 0 BGAELO CC(C)[C@@H](C)[N@H+](C)c1ccc(N)c2ncccc21 ZINC000036787061 167370536 /nfs/dbraw/zinc/37/05/36/167370536.db2.gz QBZUJXLLBGUPDZ-LLVKDONJSA-N 1 2 243.354 3.298 10 0 BGAELO CCC(CC)N(C)c1ccc2cc(N)ccc2[nH+]1 ZINC000036788879 168368757 /nfs/dbraw/zinc/36/87/57/168368757.db2.gz ZAOMFTVGMXXMTE-UHFFFAOYSA-N 1 2 243.354 3.442 10 0 BGAELO CCC(CC)[N@@H+](C)c1ccc(N)c2ncccc12 ZINC000036788883 168369560 /nfs/dbraw/zinc/36/95/60/168369560.db2.gz OQWUFOFUGCDZDS-UHFFFAOYSA-N 1 2 243.354 3.442 10 0 BGAELO CCC(CC)[N@H+](C)c1ccc(N)c2ncccc12 ZINC000036788883 168369559 /nfs/dbraw/zinc/36/95/59/168369559.db2.gz OQWUFOFUGCDZDS-UHFFFAOYSA-N 1 2 243.354 3.442 10 0 BGAELO CCC[C@@H](C)N(C)c1ccc2cc(N)ccc2[nH+]1 ZINC000036790098 169366230 /nfs/dbraw/zinc/36/62/30/169366230.db2.gz MLGMQSFQICLTDF-LLVKDONJSA-N 1 2 243.354 3.442 10 0 BGAELO CCC[C@@H](C)[N@@H+](C)c1ccc(N)c2ncccc12 ZINC000036790106 169366304 /nfs/dbraw/zinc/36/63/04/169366304.db2.gz VKTBVBAJHRMNHD-LLVKDONJSA-N 1 2 243.354 3.442 10 0 BGAELO CCC[C@@H](C)[N@H+](C)c1ccc(N)c2ncccc12 ZINC000036790106 169366302 /nfs/dbraw/zinc/36/63/02/169366302.db2.gz VKTBVBAJHRMNHD-LLVKDONJSA-N 1 2 243.354 3.442 10 0 BGAELO Nc1ccc(SCc2ccsc2)c[nH+]1 ZINC000036866948 347954406 /nfs/dbraw/zinc/95/44/06/347954406.db2.gz QSTJQEVSRCFFBV-UHFFFAOYSA-N 1 2 222.338 3.018 10 0 BGAELO Cc1nc([C@@H]2CCCC[NH2+]2)[nH]c1-c1ccccc1 ZINC000036876611 343142997 /nfs/dbraw/zinc/14/29/97/343142997.db2.gz LUIDJFBYNDWLIX-ZDUSSCGKSA-N 1 2 241.338 3.200 10 0 BGAELO Cc1nc([C@@H](C)[NH2+][C@@H](C)c2ccco2)cs1 ZINC000036915611 180037577 /nfs/dbraw/zinc/03/75/77/180037577.db2.gz MDXZBNOMCLUZGF-BDAKNGLRSA-N 1 2 236.340 3.456 10 0 BGAELO Cc1nc([C@H](C)[NH2+][C@@H](C)c2ccco2)cs1 ZINC000036915612 180050759 /nfs/dbraw/zinc/05/07/59/180050759.db2.gz MDXZBNOMCLUZGF-IUCAKERBSA-N 1 2 236.340 3.456 10 0 BGAELO Cc1nc([C@@H](C)[NH2+][C@H](C)c2ccco2)cs1 ZINC000036915613 180037420 /nfs/dbraw/zinc/03/74/20/180037420.db2.gz MDXZBNOMCLUZGF-RKDXNWHRSA-N 1 2 236.340 3.456 10 0 BGAELO Cc1nc([C@H](C)[NH2+][C@H](C)c2ccco2)cs1 ZINC000036915614 180050293 /nfs/dbraw/zinc/05/02/93/180050293.db2.gz MDXZBNOMCLUZGF-DTWKUNHWSA-N 1 2 236.340 3.456 10 0 BGAELO CC[C@H](C)Nc1ccccc1-n1cc[nH+]c1 ZINC000036920347 171350699 /nfs/dbraw/zinc/35/06/99/171350699.db2.gz JYJMRZOSOBSIMV-NSHDSACASA-N 1 2 215.300 3.083 10 0 BGAELO CC(C)Nc1cccc(Cl)c1-n1cc[nH+]c1 ZINC000036920551 167146894 /nfs/dbraw/zinc/14/68/94/167146894.db2.gz LKVXITDGLVQLIV-UHFFFAOYSA-N 1 2 235.718 3.346 10 0 BGAELO CCCNc1cccc(Cl)c1-n1cc[nH+]c1 ZINC000036920565 169294661 /nfs/dbraw/zinc/29/46/61/169294661.db2.gz MACKMXWLEVEGPI-UHFFFAOYSA-N 1 2 235.718 3.348 10 0 BGAELO CCC(C)(C)n1c(C)c(C)c2c1nc(C)[nH+]c2N ZINC000036938940 168307766 /nfs/dbraw/zinc/30/77/66/168307766.db2.gz OZKKNMOVGSTRQP-UHFFFAOYSA-N 1 2 246.358 3.084 10 0 BGAELO CCC[C@@H](C)n1c(C)c(C)c2c1nc(C)[nH+]c2N ZINC000036939065 169375275 /nfs/dbraw/zinc/37/52/75/169375275.db2.gz JONSQPCJHUOOTO-MRVPVSSYSA-N 1 2 246.358 3.300 10 0 BGAELO CC[C@H](C)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000036940006 171350617 /nfs/dbraw/zinc/35/06/17/171350617.db2.gz SMJQKFKROXPLQZ-NSHDSACASA-N 1 2 215.300 3.083 10 0 BGAELO Cc1cc([NH3+])ccc1N(C)Cc1cccc(F)c1 ZINC000036950088 178105119 /nfs/dbraw/zinc/10/51/19/178105119.db2.gz YNTJARYFSCWCOC-UHFFFAOYSA-N 1 2 244.313 3.353 10 0 BGAELO Cc1cc([NH3+])ccc1NCc1ccccc1 ZINC000036950111 347979647 /nfs/dbraw/zinc/97/96/47/347979647.db2.gz QOGQQTHLLDEWFO-UHFFFAOYSA-N 1 2 212.296 3.189 10 0 BGAELO Cc1cc([NH3+])ccc1NCc1ccc(F)cc1 ZINC000036950132 178106661 /nfs/dbraw/zinc/10/66/61/178106661.db2.gz AUOIGXGZUAORCY-UHFFFAOYSA-N 1 2 230.286 3.328 10 0 BGAELO Cc1cc([NH3+])ccc1NCc1ccccc1F ZINC000036950136 178106571 /nfs/dbraw/zinc/10/65/71/178106571.db2.gz SFFSDPUVMRPCCP-UHFFFAOYSA-N 1 2 230.286 3.328 10 0 BGAELO Cc1ccc(CNc2ccc([NH3+])cc2C)cc1 ZINC000036950141 347979581 /nfs/dbraw/zinc/97/95/81/347979581.db2.gz PEPTVORCIQSNRS-UHFFFAOYSA-N 1 2 226.323 3.498 10 0 BGAELO CC(C)CNc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000037071641 167016178 /nfs/dbraw/zinc/01/61/78/167016178.db2.gz BOCQCRYNWDIXAK-UHFFFAOYSA-N 1 2 215.300 3.145 10 0 BGAELO CC[C@H](C)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000037071690 171349346 /nfs/dbraw/zinc/34/93/46/171349346.db2.gz VFYBCXODXDFNLM-JTQLQIEISA-N 1 2 215.300 3.287 10 0 BGAELO COC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(C(C)C)cc1 ZINC000037073957 352548203 /nfs/dbraw/zinc/54/82/03/352548203.db2.gz QXKZGLCUSMJHQN-NEPJUHHUSA-N 1 2 249.354 3.022 10 0 BGAELO COC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(C(C)C)cc1 ZINC000037073958 323152554 /nfs/dbraw/zinc/15/25/54/323152554.db2.gz QXKZGLCUSMJHQN-RYUDHWBXSA-N 1 2 249.354 3.022 10 0 BGAELO Oc1ccc([NH2+]CCCc2ccccc2)cc1 ZINC000037131712 183275588 /nfs/dbraw/zinc/27/55/88/183275588.db2.gz BFMSNXALNJFJFL-UHFFFAOYSA-N 1 2 227.307 3.437 10 0 BGAELO CCC[C@@H](C)C[NH2+]c1ccc(OC)c(O)c1 ZINC000037134453 169360599 /nfs/dbraw/zinc/36/05/99/169360599.db2.gz KXGWWUUWGHDTSD-SNVBAGLBSA-N 1 2 223.316 3.249 10 0 BGAELO CCC(CC)C[NH2+]c1ccc(OC)c(O)c1 ZINC000037134620 168365873 /nfs/dbraw/zinc/36/58/73/168365873.db2.gz MHEOFZVVJIMFQG-UHFFFAOYSA-N 1 2 223.316 3.249 10 0 BGAELO COc1ccc([NH2+]CC2CCCCC2)cc1O ZINC000037134621 175150635 /nfs/dbraw/zinc/15/06/35/175150635.db2.gz RMJDURYUBPFXSF-UHFFFAOYSA-N 1 2 235.327 3.393 10 0 BGAELO Nc1ccc(SCCCc2ccccc2)c[nH+]1 ZINC000037191924 188286826 /nfs/dbraw/zinc/28/68/26/188286826.db2.gz CXVLDWOGEKPCSM-UHFFFAOYSA-N 1 2 244.363 3.389 10 0 BGAELO Nc1ccc(SCc2cccc(F)c2)c[nH+]1 ZINC000037192499 188287706 /nfs/dbraw/zinc/28/77/06/188287706.db2.gz ILGUUQXVYXVKFH-UHFFFAOYSA-N 1 2 234.299 3.095 10 0 BGAELO Nc1ccc(SC2CCCCC2)c[nH+]1 ZINC000037192604 348053084 /nfs/dbraw/zinc/05/30/84/348053084.db2.gz AXBATFOOPFSINV-UHFFFAOYSA-N 1 2 208.330 3.089 10 0 BGAELO Cc1ccccc1CSc1ccc(N)[nH+]c1 ZINC000037192621 179287474 /nfs/dbraw/zinc/28/74/74/179287474.db2.gz JYJWKJBUKHELJW-UHFFFAOYSA-N 1 2 230.336 3.265 10 0 BGAELO CC[C@H](C)SCc1[nH]c2ccc(N)cc2[nH+]1 ZINC000037285781 171357005 /nfs/dbraw/zinc/35/70/05/171357005.db2.gz RIPILJHGQRMTPI-QMMMGPOBSA-N 1 2 235.356 3.177 10 0 BGAELO CC[C@H](C)Nc1ccc2[nH+]cccc2c1N ZINC000037377466 171350808 /nfs/dbraw/zinc/35/08/08/171350808.db2.gz SCTSSDSNUHGEQY-VIFPVBQESA-N 1 2 215.300 3.027 10 0 BGAELO COc1ccc([NH2+][C@@H](C)C2(C)CC2)c(OC)c1 ZINC000037467614 175153412 /nfs/dbraw/zinc/15/34/12/175153412.db2.gz JWRKBLQLLNAVDA-JTQLQIEISA-N 1 2 235.327 3.304 10 0 BGAELO COc1ccc([NH2+][C@H](C)C2(C)CC2)c(OC)c1 ZINC000037467616 175154929 /nfs/dbraw/zinc/15/49/29/175154929.db2.gz JWRKBLQLLNAVDA-SNVBAGLBSA-N 1 2 235.327 3.304 10 0 BGAELO Cc1cc2[nH+]cn([C@@H]3CCCC[C@@H]3O)c2cc1C ZINC000037491143 178304584 /nfs/dbraw/zinc/30/45/84/178304584.db2.gz ZLZFCDPNPQDKNH-HIFRSBDPSA-N 1 2 244.338 3.129 10 0 BGAELO Cc1cc2[nH+]cn([C@H]3CCCC[C@@H]3O)c2cc1C ZINC000037491144 178305499 /nfs/dbraw/zinc/30/54/99/178305499.db2.gz ZLZFCDPNPQDKNH-ZFWWWQNUSA-N 1 2 244.338 3.129 10 0 BGAELO Cc1cc2[nH+]cn([C@@H]3CCCC[C@H]3O)c2cc1C ZINC000037491145 178304724 /nfs/dbraw/zinc/30/47/24/178304724.db2.gz ZLZFCDPNPQDKNH-UKRRQHHQSA-N 1 2 244.338 3.129 10 0 BGAELO Cc1cc2[nH+]cn([C@H]3CCCC[C@H]3O)c2cc1C ZINC000037491146 178305189 /nfs/dbraw/zinc/30/51/89/178305189.db2.gz ZLZFCDPNPQDKNH-DZGCQCFKSA-N 1 2 244.338 3.129 10 0 BGAELO Nc1cccc(-c2[nH+]ccn2Cc2ccccc2)c1 ZINC000037654060 582675096 /nfs/dbraw/zinc/67/50/96/582675096.db2.gz QQFGZHFBCBUIMP-UHFFFAOYSA-N 1 2 249.317 3.181 10 0 BGAELO Cc1ccccc1Sc1ccc(N)[nH+]c1 ZINC000037665603 364458565 /nfs/dbraw/zinc/45/85/65/364458565.db2.gz OPGCGTCGAGAFRT-UHFFFAOYSA-N 1 2 216.309 3.123 10 0 BGAELO CC(C)C[C@@H](C)[NH2+]c1ccc(-n2cncn2)cc1 ZINC000037768881 187424564 /nfs/dbraw/zinc/42/45/64/187424564.db2.gz AABHGVUPJPWVSK-GFCCVEGCSA-N 1 2 244.342 3.114 10 0 BGAELO CCCC[C@H](C)[NH2+]c1ccc(-n2cncn2)cc1 ZINC000037769184 168991993 /nfs/dbraw/zinc/99/19/93/168991993.db2.gz JGBNRWLXKPROEJ-LBPRGKRZSA-N 1 2 244.342 3.258 10 0 BGAELO CCC[C@@H](C)C[NH2+]c1ccc(-n2cncn2)cc1 ZINC000037769623 169360826 /nfs/dbraw/zinc/36/08/26/169360826.db2.gz IIDRBUGXMUYGPT-GFCCVEGCSA-N 1 2 244.342 3.115 10 0 BGAELO CCC[C@H](C)C[NH2+]c1ccc(-n2cncn2)cc1 ZINC000037769624 169483209 /nfs/dbraw/zinc/48/32/09/169483209.db2.gz IIDRBUGXMUYGPT-LBPRGKRZSA-N 1 2 244.342 3.115 10 0 BGAELO CC[C@H](C)[C@@H](C)[NH2+]c1ccc(-n2cncn2)cc1 ZINC000037769664 171367453 /nfs/dbraw/zinc/36/74/53/171367453.db2.gz VMQWGAMRTWGRLJ-NWDGAFQWSA-N 1 2 244.342 3.114 10 0 BGAELO CC[C@H](C)[C@H](C)[NH2+]c1ccc(-n2cncn2)cc1 ZINC000037769666 171391222 /nfs/dbraw/zinc/39/12/22/171391222.db2.gz VMQWGAMRTWGRLJ-RYUDHWBXSA-N 1 2 244.342 3.114 10 0 BGAELO Cc1ccc([C@@H](C)[NH2+]Cc2csnn2)c(C)c1 ZINC000037772216 384014389 /nfs/dbraw/zinc/01/43/89/384014389.db2.gz GROQPXYEPQPXEY-LLVKDONJSA-N 1 2 247.367 3.006 10 0 BGAELO Cc1ccc([C@H](C)[NH2+]Cc2csnn2)c(C)c1 ZINC000037772217 384013374 /nfs/dbraw/zinc/01/33/74/384013374.db2.gz GROQPXYEPQPXEY-NSHDSACASA-N 1 2 247.367 3.006 10 0 BGAELO CC[C@H](C)[NH2+]c1ccc(C)cc1OCCOC ZINC000037779024 171349886 /nfs/dbraw/zinc/34/98/86/171349886.db2.gz JCRZBFFPTOFKEA-LBPRGKRZSA-N 1 2 237.343 3.231 10 0 BGAELO Cc1cc(OC(C)C)ccc1[NH2+]C[C@@H]1CCOC1 ZINC000037780594 178208070 /nfs/dbraw/zinc/20/80/70/178208070.db2.gz NGMXKVIZPXPDPZ-ZDUSSCGKSA-N 1 2 249.354 3.231 10 0 BGAELO Cc1cc(OC(C)C)ccc1[NH2+]C[C@H]1CCOC1 ZINC000037780595 178208713 /nfs/dbraw/zinc/20/87/13/178208713.db2.gz NGMXKVIZPXPDPZ-CYBMUJFWSA-N 1 2 249.354 3.231 10 0 BGAELO CCC[NH2+]c1ccc(N(C)C)c(Cl)c1 ZINC000037781175 364752922 /nfs/dbraw/zinc/75/29/22/364752922.db2.gz COTCFARTMYQGKS-UHFFFAOYSA-N 1 2 212.724 3.228 10 0 BGAELO Nc1cccc2c1CCC[N@H+]2C1CCCCC1 ZINC000037905998 132345598 /nfs/dbraw/zinc/34/55/98/132345598.db2.gz IMEOONPSAVONIF-UHFFFAOYSA-N 1 2 230.355 3.354 10 0 BGAELO Nc1cccc2c1CCC[N@@H+]2C1CCCCC1 ZINC000037905998 132345597 /nfs/dbraw/zinc/34/55/97/132345597.db2.gz IMEOONPSAVONIF-UHFFFAOYSA-N 1 2 230.355 3.354 10 0 BGAELO Cc1nc(C[NH2+][C@@H](C)c2cccs2)oc1C ZINC000037909405 343360499 /nfs/dbraw/zinc/36/04/99/343360499.db2.gz MNFKJGXNKYKFHU-VIFPVBQESA-N 1 2 236.340 3.204 10 0 BGAELO Cc1nc(C[NH2+][C@H](C)c2cccs2)oc1C ZINC000037909406 343360462 /nfs/dbraw/zinc/36/04/62/343360462.db2.gz MNFKJGXNKYKFHU-SECBINFHSA-N 1 2 236.340 3.204 10 0 BGAELO C[C@@H]1CCC[N@H+]1c1ccc(N)c(C(F)(F)F)c1 ZINC000037910203 176111384 /nfs/dbraw/zinc/11/13/84/176111384.db2.gz NRJJIYLGQMHDFV-MRVPVSSYSA-N 1 2 244.260 3.276 10 0 BGAELO C[C@@H]1CCC[N@@H+]1c1ccc(N)c(C(F)(F)F)c1 ZINC000037910203 176111383 /nfs/dbraw/zinc/11/13/83/176111383.db2.gz NRJJIYLGQMHDFV-MRVPVSSYSA-N 1 2 244.260 3.276 10 0 BGAELO C[C@H]1CCC[N@H+]1c1ccc(N)c(C(F)(F)F)c1 ZINC000037910204 177111899 /nfs/dbraw/zinc/11/18/99/177111899.db2.gz NRJJIYLGQMHDFV-QMMMGPOBSA-N 1 2 244.260 3.276 10 0 BGAELO C[C@H]1CCC[N@@H+]1c1ccc(N)c(C(F)(F)F)c1 ZINC000037910204 177111898 /nfs/dbraw/zinc/11/18/98/177111898.db2.gz NRJJIYLGQMHDFV-QMMMGPOBSA-N 1 2 244.260 3.276 10 0 BGAELO C[C@@H]1CCC[N@H+]1CC(=O)c1ccc(Cl)s1 ZINC000037911538 350290965 /nfs/dbraw/zinc/29/09/65/350290965.db2.gz DHHSQODOHCNXPJ-MRVPVSSYSA-N 1 2 243.759 3.069 10 0 BGAELO C[C@@H]1CCC[N@@H+]1CC(=O)c1ccc(Cl)s1 ZINC000037911538 350290961 /nfs/dbraw/zinc/29/09/61/350290961.db2.gz DHHSQODOHCNXPJ-MRVPVSSYSA-N 1 2 243.759 3.069 10 0 BGAELO C[C@H]1CCC[N@H+]1CC(=O)c1ccc(Cl)s1 ZINC000037911539 350291137 /nfs/dbraw/zinc/29/11/37/350291137.db2.gz DHHSQODOHCNXPJ-QMMMGPOBSA-N 1 2 243.759 3.069 10 0 BGAELO C[C@H]1CCC[N@@H+]1CC(=O)c1ccc(Cl)s1 ZINC000037911539 350291135 /nfs/dbraw/zinc/29/11/35/350291135.db2.gz DHHSQODOHCNXPJ-QMMMGPOBSA-N 1 2 243.759 3.069 10 0 BGAELO CCOC(=[NH2+])c1c(OC)ccc2ccccc21 ZINC000037928175 170180253 /nfs/dbraw/zinc/18/02/53/170180253.db2.gz QCABZCQSHUNOGB-UHFFFAOYSA-N 1 2 229.279 3.210 10 0 BGAELO Nc1ccc(-c2[nH+]ccn2Cc2ccccc2)cc1 ZINC000037974164 582675294 /nfs/dbraw/zinc/67/52/94/582675294.db2.gz UBCZGCWYJYQYRA-UHFFFAOYSA-N 1 2 249.317 3.181 10 0 BGAELO CC[C@H](C)n1cc[nH+]c1-c1ccc(N)cc1 ZINC000037974228 171417680 /nfs/dbraw/zinc/41/76/80/171417680.db2.gz AJRIMQFCOBFTIS-JTQLQIEISA-N 1 2 215.300 3.103 10 0 BGAELO c1ccc2[nH+]c(NCC[C@@H]3CCCO3)ccc2c1 ZINC000037987985 398335428 /nfs/dbraw/zinc/33/54/28/398335428.db2.gz HRRPAYUVRAVJPX-ZDUSSCGKSA-N 1 2 242.322 3.216 10 0 BGAELO Cc1cc(Nc2cc(N)ccc2Cl)nc(C)[nH+]1 ZINC000038033835 178192118 /nfs/dbraw/zinc/19/21/18/178192118.db2.gz AVZBAUKWONUWHX-UHFFFAOYSA-N 1 2 248.717 3.073 10 0 BGAELO Cc1cccc(Nc2cc(N)ccc2Cl)[nH+]1 ZINC000038033924 179159505 /nfs/dbraw/zinc/15/95/05/179159505.db2.gz DZYDNIZFEPMEDK-UHFFFAOYSA-N 1 2 233.702 3.369 10 0 BGAELO Cc1cccc2oc([C@H]([NH3+])c3ccccc3)nc21 ZINC000038052765 179232744 /nfs/dbraw/zinc/23/27/44/179232744.db2.gz RLSVGHNUQRFAIC-CYBMUJFWSA-N 1 2 238.290 3.184 10 0 BGAELO Cc1cccc2oc([C@@H]([NH3+])c3ccccc3)nc21 ZINC000038052766 179232726 /nfs/dbraw/zinc/23/27/26/179232726.db2.gz RLSVGHNUQRFAIC-ZDUSSCGKSA-N 1 2 238.290 3.184 10 0 BGAELO c1cc2c(c(Oc3cc[nH+]cc3)c1)NCCC2 ZINC000038068023 183365601 /nfs/dbraw/zinc/36/56/01/183365601.db2.gz MJDPYDUEXAQYNB-UHFFFAOYSA-N 1 2 226.279 3.232 10 0 BGAELO CCCc1ccc(-c2cccc(N)[nH+]2)cc1 ZINC000038069267 582675302 /nfs/dbraw/zinc/67/53/02/582675302.db2.gz YXCYHKAXEVQJGN-UHFFFAOYSA-N 1 2 212.296 3.283 10 0 BGAELO CC(C)Oc1ccc(-c2cccc(N)[nH+]2)cc1 ZINC000038069456 167289011 /nfs/dbraw/zinc/28/90/11/167289011.db2.gz ARCGQLDZMVNAOE-UHFFFAOYSA-N 1 2 228.295 3.118 10 0 BGAELO COc1cccc(CNc2ccc([NH3+])cc2C)c1 ZINC000038077947 175268772 /nfs/dbraw/zinc/26/87/72/175268772.db2.gz XMSKEXVEUPAKSA-UHFFFAOYSA-N 1 2 242.322 3.198 10 0 BGAELO Cc1ccc([C@@H](C)[NH2+]Cc2nc(C)c(C)o2)o1 ZINC000038097559 384070952 /nfs/dbraw/zinc/07/09/52/384070952.db2.gz QFNBMMDGIDGNKM-SNVBAGLBSA-N 1 2 234.299 3.044 10 0 BGAELO Cc1ccc([C@H](C)[NH2+]Cc2nc(C)c(C)o2)o1 ZINC000038097560 384069510 /nfs/dbraw/zinc/06/95/10/384069510.db2.gz QFNBMMDGIDGNKM-JTQLQIEISA-N 1 2 234.299 3.044 10 0 BGAELO c1cc2[nH+]cnc(NCCC3=CCCCC3)c2[nH]1 ZINC000038174804 384078114 /nfs/dbraw/zinc/07/81/14/384078114.db2.gz WNJHJCKCHDRDGI-UHFFFAOYSA-N 1 2 242.326 3.260 10 0 BGAELO CCCc1c[nH]c([C@H]2Cc3ccccc3N2)[nH+]1 ZINC000038221610 368324193 /nfs/dbraw/zinc/32/41/93/368324193.db2.gz IXRMNUIDDXDZER-CYBMUJFWSA-N 1 2 227.311 3.072 10 0 BGAELO COc1ccc2c(c1)C(c1ccccc1)=[NH+]CC2 ZINC000038437474 347165010 /nfs/dbraw/zinc/16/50/10/347165010.db2.gz XRJNMEBBXFLFBW-UHFFFAOYSA-N 1 2 237.302 3.089 10 0 BGAELO CCCc1ccccc1Nc1[nH+]cccc1N ZINC000038549206 346811887 /nfs/dbraw/zinc/81/18/87/346811887.db2.gz XELJVLVJTMKTNE-UHFFFAOYSA-N 1 2 227.311 3.360 10 0 BGAELO c1ccc([C@@H]2[NH+]=CNc3ccccc32)cc1 ZINC000038891771 384097273 /nfs/dbraw/zinc/09/72/73/384097273.db2.gz ZYRBCSVZLSZKAH-AWEZNQCLSA-N 1 2 208.264 3.230 10 0 BGAELO CCc1sccc1C=Cc1c[nH]c[nH+]1 ZINC000039100984 172129784 /nfs/dbraw/zinc/12/97/84/172129784.db2.gz NVROMJGZUDCABS-ONEGZZNKSA-N 1 2 204.298 3.204 10 0 BGAELO CC[C@@]1([NH+]2CCCC2)C=Cc2ccccc2O1 ZINC000039102870 171212948 /nfs/dbraw/zinc/21/29/48/171212948.db2.gz OJPJSZUKAQUWHO-HNNXBMFYSA-N 1 2 229.323 3.294 10 0 BGAELO Cc1cc2[nH+]c(N)ccc2cc1C(C)C ZINC000039104914 178302635 /nfs/dbraw/zinc/30/26/35/178302635.db2.gz SZJSXLKYYBIDCQ-UHFFFAOYSA-N 1 2 200.285 3.249 10 0 BGAELO COc1cc(C)[nH+]c2c(C)cc(C)cc12 ZINC000039104983 343384293 /nfs/dbraw/zinc/38/42/93/343384293.db2.gz JWGYRNDOZHZNLJ-UHFFFAOYSA-N 1 2 201.269 3.169 10 0 BGAELO CCOC(=[NH2+])CSc1ccccc1C ZINC000039105745 170180519 /nfs/dbraw/zinc/18/05/19/170180519.db2.gz IKNNCKZQRCQUIC-UHFFFAOYSA-N 1 2 209.314 3.101 10 0 BGAELO Cc1cccc(C)c1C1=CN2CC[NH+]=C2S1 ZINC000039111230 179032625 /nfs/dbraw/zinc/03/26/25/179032625.db2.gz SFYBHHBKAHFKRI-UHFFFAOYSA-N 1 2 230.336 3.020 10 0 BGAELO CCCOc1cc2c[nH+]ccc2cc1OC ZINC000039119752 169315828 /nfs/dbraw/zinc/31/58/28/169315828.db2.gz BTHCIRNMPYILEV-UHFFFAOYSA-N 1 2 217.268 3.032 10 0 BGAELO CCCOc1cc2cc[nH+]cc2cc1OC ZINC000039119753 169315691 /nfs/dbraw/zinc/31/56/91/169315691.db2.gz OVUHZAWDUXSXGT-UHFFFAOYSA-N 1 2 217.268 3.032 10 0 BGAELO Cc1c2[nH+]c(N)sc2c(C(C)C)c(O)c1C ZINC000039127708 343386163 /nfs/dbraw/zinc/38/61/63/343386163.db2.gz PNIFAEJXYKCKBR-UHFFFAOYSA-N 1 2 236.340 3.324 10 0 BGAELO Cc1[nH]c2cc(Cl)c(Br)cc2[nH+]1 ZINC000039174773 343386766 /nfs/dbraw/zinc/38/67/66/343386766.db2.gz SJJUHQDEQLCDLA-UHFFFAOYSA-N 1 2 245.507 3.287 10 0 BGAELO Cc1[nH]c2cc(Br)c(Cl)cc2[nH+]1 ZINC000039174773 343386765 /nfs/dbraw/zinc/38/67/65/343386765.db2.gz SJJUHQDEQLCDLA-UHFFFAOYSA-N 1 2 245.507 3.287 10 0 BGAELO Clc1ccc(-c2[nH]cc[nH+]2)cc1Cl ZINC000039220238 343387255 /nfs/dbraw/zinc/38/72/55/343387255.db2.gz KYJUUIWHGMPQDN-UHFFFAOYSA-N 1 2 213.067 3.384 10 0 BGAELO Clc1ccc(NCc2c[nH]c[nH+]2)cc1Cl ZINC000039415351 358226290 /nfs/dbraw/zinc/22/62/90/358226290.db2.gz XEGZBQZLHMSZNA-UHFFFAOYSA-N 1 2 242.109 3.329 10 0 BGAELO Clc1ccc(NCc2c[nH+]c[nH]2)cc1Cl ZINC000039415351 358226288 /nfs/dbraw/zinc/22/62/88/358226288.db2.gz XEGZBQZLHMSZNA-UHFFFAOYSA-N 1 2 242.109 3.329 10 0 BGAELO OCCn1c2ccccc2[nH+]c1C1CCCCC1 ZINC000040389149 183101383 /nfs/dbraw/zinc/10/13/83/183101383.db2.gz INVXJTIEXIIMSX-UHFFFAOYSA-N 1 2 244.338 3.076 10 0 BGAELO COCCCn1c2ccccc2[nH+]c1C(C)C ZINC000040389393 174265692 /nfs/dbraw/zinc/26/56/92/174265692.db2.gz PFLYPHMJRIJBHP-UHFFFAOYSA-N 1 2 232.327 3.196 10 0 BGAELO COCCCn1c2ccccc2[nH+]c1C(C)(C)C ZINC000040389419 174265495 /nfs/dbraw/zinc/26/54/95/174265495.db2.gz XIPBJWNIPBLVSI-UHFFFAOYSA-N 1 2 246.354 3.370 10 0 BGAELO CCOCCCn1c(CC)[nH+]c2ccccc21 ZINC000040389455 170386142 /nfs/dbraw/zinc/38/61/42/170386142.db2.gz AYBDTFOEHNPELY-UHFFFAOYSA-N 1 2 232.327 3.025 10 0 BGAELO CCc1[nH+]c2ccccc2n1Cc1ccco1 ZINC000040390241 172013393 /nfs/dbraw/zinc/01/33/93/172013393.db2.gz JULCQHGEVQAZNO-UHFFFAOYSA-N 1 2 226.279 3.240 10 0 BGAELO COCCCn1c(C)[nH+]c2cc(Cl)ccc21 ZINC000040402745 174266656 /nfs/dbraw/zinc/26/66/56/174266656.db2.gz FQJHQPKOWBTCMM-UHFFFAOYSA-N 1 2 238.718 3.035 10 0 BGAELO COCCCn1c(C)[nH+]c2ccc(Cl)cc21 ZINC000040402748 174266794 /nfs/dbraw/zinc/26/67/94/174266794.db2.gz WCHRJKRQZWTXTO-UHFFFAOYSA-N 1 2 238.718 3.035 10 0 BGAELO CC(C)c1[nH+]c2ccc(Cl)cc2n1C ZINC000040417029 167681040 /nfs/dbraw/zinc/68/10/40/167681040.db2.gz JEPZSWOHJGVOFD-UHFFFAOYSA-N 1 2 208.692 3.350 10 0 BGAELO CCc1[nH+]c2cc(Cl)ccc2n1CC ZINC000040417175 172011041 /nfs/dbraw/zinc/01/10/41/172011041.db2.gz CSBQLXWCYSPOBC-UHFFFAOYSA-N 1 2 208.692 3.272 10 0 BGAELO CCc1[nH+]c2ccc(Cl)cc2n1CC ZINC000040417176 172012847 /nfs/dbraw/zinc/01/28/47/172012847.db2.gz YWQKMPSHWYYKFT-UHFFFAOYSA-N 1 2 208.692 3.272 10 0 BGAELO Cc1cc(N[C@@H](C)c2cccs2)nc[nH+]1 ZINC000040727195 178181028 /nfs/dbraw/zinc/18/10/28/178181028.db2.gz ZFTUHLAMTJNKMK-VIFPVBQESA-N 1 2 219.313 3.020 10 0 BGAELO Cc1cc(N[C@H](C)c2cccs2)nc[nH+]1 ZINC000040727197 178186955 /nfs/dbraw/zinc/18/69/55/178186955.db2.gz ZFTUHLAMTJNKMK-SECBINFHSA-N 1 2 219.313 3.020 10 0 BGAELO CCc1cc(N[C@@H](C)c2cccs2)nc[nH+]1 ZINC000040765117 350394494 /nfs/dbraw/zinc/39/44/94/350394494.db2.gz IKHPAZCIKWAIBC-VIFPVBQESA-N 1 2 233.340 3.274 10 0 BGAELO CCc1cc(N[C@H](C)c2cccs2)nc[nH+]1 ZINC000040765118 350394619 /nfs/dbraw/zinc/39/46/19/350394619.db2.gz IKHPAZCIKWAIBC-SECBINFHSA-N 1 2 233.340 3.274 10 0 BGAELO CCc1cc(N[C@@H](C)c2ccc(C)o2)nc[nH+]1 ZINC000040765224 350395411 /nfs/dbraw/zinc/39/54/11/350395411.db2.gz GXHHSOLGCWTXDE-JTQLQIEISA-N 1 2 231.299 3.114 10 0 BGAELO CCc1cc(N[C@H](C)c2ccc(C)o2)nc[nH+]1 ZINC000040765225 350395093 /nfs/dbraw/zinc/39/50/93/350395093.db2.gz GXHHSOLGCWTXDE-SNVBAGLBSA-N 1 2 231.299 3.114 10 0 BGAELO Cc1cc2[nH]c3c[nH+]ccc3c2c(C)c1O ZINC000040862016 178276337 /nfs/dbraw/zinc/27/63/37/178276337.db2.gz RRUTVQQPPTZUTL-UHFFFAOYSA-N 1 2 212.252 3.039 10 0 in-vivo BGAELO c1ccc(CNc2cn[nH+]c3ccccc23)cc1 ZINC000041122901 388432192 /nfs/dbraw/zinc/43/21/92/388432192.db2.gz TXYFMGXPNKFSBW-UHFFFAOYSA-N 1 2 235.290 3.242 10 0 BGAELO CC(C)Oc1ccc(-c2ccc(N)[nH+]c2)cc1 ZINC000041249923 167287796 /nfs/dbraw/zinc/28/77/96/167287796.db2.gz NERWKAIDFSZAEX-UHFFFAOYSA-N 1 2 228.295 3.118 10 0 BGAELO COc1ccc([NH2+]CC2CCCC2)c(OC)c1 ZINC000041266033 175150828 /nfs/dbraw/zinc/15/08/28/175150828.db2.gz HOZXIALYJBIKSZ-UHFFFAOYSA-N 1 2 235.327 3.306 10 0 BGAELO COc1ccc([NH2+]CC2CCCC2)cc1OC ZINC000041266037 175150356 /nfs/dbraw/zinc/15/03/56/175150356.db2.gz HATNLGHQQPVENC-UHFFFAOYSA-N 1 2 235.327 3.306 10 0 BGAELO Cc1c[nH]c(-c2cccc(Br)c2)[nH+]1 ZINC000041278039 358273337 /nfs/dbraw/zinc/27/33/37/358273337.db2.gz VTLAIEMREXMOGE-UHFFFAOYSA-N 1 2 237.100 3.148 10 0 BGAELO Cc1c[nH]c(-c2ccc(Br)cc2)[nH+]1 ZINC000041278041 374126752 /nfs/dbraw/zinc/12/67/52/374126752.db2.gz AVDNQKPWJHMGHH-UHFFFAOYSA-N 1 2 237.100 3.148 10 0 BGAELO CCNc1ccc(N(C)Cc2ccccc2)[nH+]c1 ZINC000041626527 170174509 /nfs/dbraw/zinc/17/45/09/170174509.db2.gz WRVXLCHMIQUWQD-UHFFFAOYSA-N 1 2 241.338 3.150 10 0 BGAELO CC1([NH2+]c2ccc(N)cc2F)CCCC1 ZINC000042176418 168063915 /nfs/dbraw/zinc/06/39/15/168063915.db2.gz TZHDNEQRILELCP-UHFFFAOYSA-N 1 2 208.280 3.153 10 0 BGAELO COC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(C(C)C)cc1 ZINC000042304196 322838376 /nfs/dbraw/zinc/83/83/76/322838376.db2.gz QXKZGLCUSMJHQN-VXGBXAGGSA-N 1 2 249.354 3.022 10 0 BGAELO COC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(C(C)C)cc1 ZINC000042304199 322838374 /nfs/dbraw/zinc/83/83/74/322838374.db2.gz QXKZGLCUSMJHQN-NWDGAFQWSA-N 1 2 249.354 3.022 10 0 BGAELO COc1ccc([NH2+]C2CCSCC2)cc1C ZINC000042350218 175149244 /nfs/dbraw/zinc/14/92/44/175149244.db2.gz LREJQQVPZJBKQP-UHFFFAOYSA-N 1 2 237.368 3.311 10 0 BGAELO CC(C)N(Cc1cccs1)c1ccc(N)c[nH+]1 ZINC000042517565 187265302 /nfs/dbraw/zinc/26/53/02/187265302.db2.gz XPQIOOSQCZVOOS-UHFFFAOYSA-N 1 2 247.367 3.140 10 0 BGAELO CC[C@H](C)[C@@H](C)n1c(N)[nH+]c2c1cccc2F ZINC000042557753 171367656 /nfs/dbraw/zinc/36/76/56/171367656.db2.gz VQITVXQTBXCIRA-DTWKUNHWSA-N 1 2 235.306 3.365 10 0 BGAELO CC[C@H](C)[C@H](C)n1c(N)[nH+]c2c1cccc2F ZINC000042557760 171392010 /nfs/dbraw/zinc/39/20/10/171392010.db2.gz VQITVXQTBXCIRA-IUCAKERBSA-N 1 2 235.306 3.365 10 0 BGAELO CCc1cc(NC2CCC(CC)CC2)nc[nH+]1 ZINC000042581110 342778986 /nfs/dbraw/zinc/77/89/86/342778986.db2.gz BOKDZSDSVZQVFR-UHFFFAOYSA-N 1 2 233.359 3.420 10 0 BGAELO Cc1cc(N)ccc1[NH2+][C@@H](C)Cc1ccco1 ZINC000042586949 178106935 /nfs/dbraw/zinc/10/69/35/178106935.db2.gz SJIPWZYOXAKLCU-NSHDSACASA-N 1 2 230.311 3.213 10 0 BGAELO Cc1cc(N)ccc1[NH2+][C@H](C)Cc1ccco1 ZINC000042586952 178106913 /nfs/dbraw/zinc/10/69/13/178106913.db2.gz SJIPWZYOXAKLCU-LLVKDONJSA-N 1 2 230.311 3.213 10 0 BGAELO Cc1cc([NH2+][C@@H](C)Cc2ccco2)ccc1N ZINC000042586967 178178231 /nfs/dbraw/zinc/17/82/31/178178231.db2.gz KRDUKFVKMRTWQP-NSHDSACASA-N 1 2 230.311 3.213 10 0 BGAELO Cc1cc([NH2+][C@H](C)Cc2ccco2)ccc1N ZINC000042586969 178186548 /nfs/dbraw/zinc/18/65/48/178186548.db2.gz KRDUKFVKMRTWQP-LLVKDONJSA-N 1 2 230.311 3.213 10 0 BGAELO CC[C@H](C(C)C)n1c(N)[nH+]c2c1cccc2F ZINC000042591899 171243457 /nfs/dbraw/zinc/24/34/57/171243457.db2.gz QCTDNJQTCCGINQ-SNVBAGLBSA-N 1 2 235.306 3.365 10 0 BGAELO Cc1ccccc1[C@H](C)[NH2+][C@H](C)C[NH+]1CCCC1 ZINC000042597657 179338569 /nfs/dbraw/zinc/33/85/69/179338569.db2.gz LKRBWODCDKQXDV-CABCVRRESA-N 1 2 246.398 3.130 10 0 BGAELO Fc1ccc(-c2c[nH+]c3ccccn32)cc1 ZINC000042827189 374291568 /nfs/dbraw/zinc/29/15/68/374291568.db2.gz ODWHETXEXZUSDL-UHFFFAOYSA-N 1 2 212.227 3.140 10 0 BGAELO COc1ccc(-c2c[nH+]c3ccccn32)cc1 ZINC000042827221 175036905 /nfs/dbraw/zinc/03/69/05/175036905.db2.gz MYBRMVHTOPHFPT-UHFFFAOYSA-N 1 2 224.263 3.010 10 0 BGAELO O=C(Cc1[nH]cc[nH+]1)c1csc2ccccc12 ZINC000042890525 182061462 /nfs/dbraw/zinc/06/14/62/182061462.db2.gz MZLVFCARFDJUSI-UHFFFAOYSA-N 1 2 242.303 3.050 10 0 BGAELO Cc1cc([NH3+])ccc1NCCOc1ccccc1 ZINC000042895218 178105439 /nfs/dbraw/zinc/10/54/39/178105439.db2.gz MHPNWBARDKIIHF-UHFFFAOYSA-N 1 2 242.322 3.068 10 0 BGAELO Cc1cc([NH2+]CCOc2ccccc2)ccc1N ZINC000042895248 178162384 /nfs/dbraw/zinc/16/23/84/178162384.db2.gz PSENTOXFHOOQLJ-UHFFFAOYSA-N 1 2 242.322 3.068 10 0 BGAELO Cc1ccc(Oc2cc(N)cc[nH+]2)c(C)c1 ZINC000043569370 343172017 /nfs/dbraw/zinc/17/20/17/343172017.db2.gz SOWOWNJSYGCEKK-UHFFFAOYSA-N 1 2 214.268 3.073 10 0 BGAELO CCc1ccc(Oc2cc(N)cc[nH+]2)cc1 ZINC000043569384 343172557 /nfs/dbraw/zinc/17/25/57/343172557.db2.gz HZQFOBALRPFMQE-UHFFFAOYSA-N 1 2 214.268 3.019 10 0 BGAELO Nc1cc[nH+]c(Oc2ccc(Cl)cc2)c1 ZINC000043569395 343172363 /nfs/dbraw/zinc/17/23/63/343172363.db2.gz MGNMOYVQYOKVCE-UHFFFAOYSA-N 1 2 220.659 3.110 10 0 BGAELO Cc1ccc(Oc2cc(N)cc[nH+]2)cc1C ZINC000043569401 343172665 /nfs/dbraw/zinc/17/26/65/343172665.db2.gz UFZOTYWVTUUFTQ-UHFFFAOYSA-N 1 2 214.268 3.073 10 0 BGAELO Cc1cc(C)cc(Oc2cc(N)cc[nH+]2)c1 ZINC000043569402 343172392 /nfs/dbraw/zinc/17/23/92/343172392.db2.gz JMBXRYZIDWCVAH-UHFFFAOYSA-N 1 2 214.268 3.073 10 0 BGAELO Nc1cc[nH+]c(Oc2cccc(Cl)c2)c1 ZINC000043569410 343172693 /nfs/dbraw/zinc/17/26/93/343172693.db2.gz VDFAMJOSYPMQIU-UHFFFAOYSA-N 1 2 220.659 3.110 10 0 BGAELO CC[C@@H](C)[NH2+]c1ccc(N)cc1Br ZINC000043596548 343241650 /nfs/dbraw/zinc/24/16/50/343241650.db2.gz UOEZFTHKWFQFPH-SSDOTTSWSA-N 1 2 243.148 3.242 10 0 BGAELO CC[C@H](C)[NH2+]c1ccc(N)cc1Br ZINC000043596549 171349740 /nfs/dbraw/zinc/34/97/40/171349740.db2.gz UOEZFTHKWFQFPH-ZETCQYMHSA-N 1 2 243.148 3.242 10 0 BGAELO CC(C)C[NH2+]c1ccc(N)cc1Br ZINC000043596552 167017421 /nfs/dbraw/zinc/01/74/21/167017421.db2.gz BFTCHAFMGKHZAO-UHFFFAOYSA-N 1 2 243.148 3.099 10 0 BGAELO Cc1cc2[nH+]cn(C[C@H](O)C(C)(C)C)c2cc1C ZINC000044184020 178304884 /nfs/dbraw/zinc/30/48/84/178304884.db2.gz CZJKGOSUNDSJHW-AWEZNQCLSA-N 1 2 246.354 3.060 10 0 BGAELO Cc1cc2[nH+]cn(C[C@@H](O)C(C)(C)C)c2cc1C ZINC000044184024 178305039 /nfs/dbraw/zinc/30/50/39/178305039.db2.gz CZJKGOSUNDSJHW-CQSZACIVSA-N 1 2 246.354 3.060 10 0 BGAELO CC(C)Oc1ccc([NH2+]C2CCC2)cc1 ZINC000044480556 188123820 /nfs/dbraw/zinc/12/38/20/188123820.db2.gz ZQYHHPJZRHKABA-UHFFFAOYSA-N 1 2 205.301 3.438 10 0 BGAELO C1=[NH+][C@H](c2nc3ccccc3s2)CC1 ZINC000045236067 188297728 /nfs/dbraw/zinc/29/77/28/188297728.db2.gz XBGIJRUYUQHEKX-VIFPVBQESA-N 1 2 202.282 3.202 10 0 BGAELO C1=[NH+][C@@H](c2nc3ccccc3s2)CC1 ZINC000045236070 343526356 /nfs/dbraw/zinc/52/63/56/343526356.db2.gz XBGIJRUYUQHEKX-SECBINFHSA-N 1 2 202.282 3.202 10 0 BGAELO CCC[NH2+]c1ccc(O)c2ccccc12 ZINC000045285727 169294783 /nfs/dbraw/zinc/29/47/83/169294783.db2.gz FDQDPQDUXWRNKT-UHFFFAOYSA-N 1 2 201.269 3.367 10 0 in-vivo BGAELO CC(C)[NH2+]c1ccc(O)c2ccccc12 ZINC000045298448 167147471 /nfs/dbraw/zinc/14/74/71/167147471.db2.gz TWBKFLLEYLZFHH-UHFFFAOYSA-N 1 2 201.269 3.366 10 0 in-vivo BGAELO Cc1cc2cc(O)cc3oc(C)cc([nH+]1)c23 ZINC000045358090 178295463 /nfs/dbraw/zinc/29/54/63/178295463.db2.gz PEFIRMBVFBVVGZ-UHFFFAOYSA-N 1 2 213.236 3.303 10 0 in-vitro BGAELO Cc1ccccc1CNc1ccc([NH3+])cc1C ZINC000048265805 179285189 /nfs/dbraw/zinc/28/51/89/179285189.db2.gz OXSPLOKKGBUOKG-UHFFFAOYSA-N 1 2 226.323 3.498 10 0 BGAELO Cc1cc2[nH]c(C3CCC3)[nH+]c2cc1C ZINC000048356692 178301249 /nfs/dbraw/zinc/30/12/49/178301249.db2.gz PPUHFJJZODGTML-UHFFFAOYSA-N 1 2 200.285 3.447 10 0 BGAELO Cc1cc2[nH]c(Cc3ccncc3)[nH+]c2cc1C ZINC000048356738 178301461 /nfs/dbraw/zinc/30/14/61/178301461.db2.gz NFZFQYAXBSNEPZ-UHFFFAOYSA-N 1 2 237.306 3.166 10 0 BGAELO CC(C)(C)c1[nH]c2cc(F)c(F)cc2[nH+]1 ZINC000048356846 188153212 /nfs/dbraw/zinc/15/32/12/188153212.db2.gz MFWIFAKZQVAVBR-UHFFFAOYSA-N 1 2 210.227 3.139 10 0 BGAELO CCCCc1[nH]c2cc(F)c(F)cc2[nH+]1 ZINC000048356848 169028146 /nfs/dbraw/zinc/02/81/46/169028146.db2.gz JSEBXCLFGGUCRS-UHFFFAOYSA-N 1 2 210.227 3.184 10 0 BGAELO Nc1cccc2c1CCC[N@H+]2CC1CCCC1 ZINC000048733254 132227870 /nfs/dbraw/zinc/22/78/70/132227870.db2.gz NEGWHOPUGVCNCV-UHFFFAOYSA-N 1 2 230.355 3.212 10 0 BGAELO Nc1cccc2c1CCC[N@@H+]2CC1CCCC1 ZINC000048733254 132227869 /nfs/dbraw/zinc/22/78/69/132227869.db2.gz NEGWHOPUGVCNCV-UHFFFAOYSA-N 1 2 230.355 3.212 10 0 BGAELO Nc1ccc[nH+]c1Nc1ccc(Cl)c(F)c1 ZINC000049118798 343088998 /nfs/dbraw/zinc/08/89/98/343088998.db2.gz OVKKGMBPDKZTNZ-UHFFFAOYSA-N 1 2 237.665 3.200 10 0 BGAELO Cc1cccc(NCCCn2cc[nH+]c2)c1C ZINC000049327843 179145465 /nfs/dbraw/zinc/14/54/65/179145465.db2.gz POOVXDHINHYHKU-UHFFFAOYSA-N 1 2 229.327 3.002 10 0 BGAELO Cc1ccc(NCCCn2cc[nH+]c2)c(Cl)c1 ZINC000049327878 178759083 /nfs/dbraw/zinc/75/90/83/178759083.db2.gz UVYPXZXWEXFBTG-UHFFFAOYSA-N 1 2 249.745 3.347 10 0 BGAELO CCC[C@@H]([NH2+][C@@H](C)C(=O)OCC)c1ccccc1 ZINC000049367800 169402142 /nfs/dbraw/zinc/40/21/42/169402142.db2.gz JGSWUJOECAGXIP-GXTWGEPZSA-N 1 2 249.354 3.069 10 0 BGAELO Cc1cc(N[C@@H](C)c2ccc(F)cc2)nc[nH+]1 ZINC000049509335 178178500 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MRHASIUQFPQYCR-UHFFFAOYSA-N 1 2 223.316 3.249 10 0 BGAELO CCCn1cc[nH+]c1CNc1cc(C)ccc1F ZINC000061877536 188302242 /nfs/dbraw/zinc/30/22/42/188302242.db2.gz NTROTMBDPWLJRX-UHFFFAOYSA-N 1 2 247.317 3.353 10 0 BGAELO CCCNc1[nH+]cnc2c1cnn2C(CC)CC ZINC000062367287 169297102 /nfs/dbraw/zinc/29/71/02/169297102.db2.gz WYCKFKISIAOJHQ-UHFFFAOYSA-N 1 2 247.346 3.009 10 0 BGAELO CCc1[nH+]c2ccccc2n1C[C@H](O)C(C)(C)C ZINC000062807879 172014277 /nfs/dbraw/zinc/01/42/77/172014277.db2.gz RJTMEGLJBFIRBL-ZDUSSCGKSA-N 1 2 246.354 3.006 10 0 BGAELO CCc1[nH+]c2ccccc2n1C[C@@H](O)C(C)(C)C ZINC000062807880 172014377 /nfs/dbraw/zinc/01/43/77/172014377.db2.gz RJTMEGLJBFIRBL-CYBMUJFWSA-N 1 2 246.354 3.006 10 0 BGAELO c1cc(CNc2ccc(-c3c[nH]c[nH+]3)cc2)co1 ZINC000063047186 183525726 /nfs/dbraw/zinc/52/57/26/183525726.db2.gz IANJNLSEUWRJMM-UHFFFAOYSA-N 1 2 239.278 3.282 10 0 BGAELO Cc1cc2ccccc2[nH+]c1N[C@@H]1C[C@@H]1C ZINC000063106142 178298938 /nfs/dbraw/zinc/29/89/38/178298938.db2.gz KXGDWQYRZDLYNB-TVQRCGJNSA-N 1 2 212.296 3.364 10 0 BGAELO Cc1cc2ccccc2[nH+]c1N[C@H]1C[C@@H]1C ZINC000063106143 178299007 /nfs/dbraw/zinc/29/90/07/178299007.db2.gz KXGDWQYRZDLYNB-ZANVPECISA-N 1 2 212.296 3.364 10 0 BGAELO Cc1cc2ccccc2[nH+]c1N[C@@H]1C[C@H]1C ZINC000063106145 178298932 /nfs/dbraw/zinc/29/89/32/178298932.db2.gz KXGDWQYRZDLYNB-NOZJJQNGSA-N 1 2 212.296 3.364 10 0 BGAELO Cc1cc2ccccc2[nH+]c1N[C@H]1C[C@H]1C ZINC000063106147 178298489 /nfs/dbraw/zinc/29/84/89/178298489.db2.gz KXGDWQYRZDLYNB-RNCFNFMXSA-N 1 2 212.296 3.364 10 0 BGAELO Cc1cc2cc(-c3nccs3)ccc2[nH+]c1N ZINC000063116791 178294978 /nfs/dbraw/zinc/29/49/78/178294978.db2.gz XYBXUOPCEFVSOB-UHFFFAOYSA-N 1 2 241.319 3.249 10 0 BGAELO CCCOc1ccc2[nH+]c(NC)c(C)cc2c1 ZINC000063118628 169324264 /nfs/dbraw/zinc/32/42/64/169324264.db2.gz LBNMNPIVRKFNHX-UHFFFAOYSA-N 1 2 230.311 3.374 10 0 BGAELO COc1ccc([NH2+]CCc2cccnc2)cc1C ZINC000063222382 175150644 /nfs/dbraw/zinc/15/06/44/175150644.db2.gz IZHWPNYWWJSGEW-UHFFFAOYSA-N 1 2 242.322 3.053 10 0 BGAELO Oc1ccc(-c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000065529111 183264382 /nfs/dbraw/zinc/26/43/82/183264382.db2.gz CXMIJFUECRGHTO-UHFFFAOYSA-N 1 2 236.274 3.245 10 0 BGAELO [NH2+]=C1Nc2ccccc2Nc2sc(C=O)cc21 ZINC000065734316 181207850 /nfs/dbraw/zinc/20/78/50/181207850.db2.gz LOGZHZUVVPBPJW-UHFFFAOYSA-N 1 2 243.291 3.055 10 0 in-vitro BGAELO CCn1c2ccc(N)cc2[nH+]c1-c1ccccc1 ZINC000066347401 172130219 /nfs/dbraw/zinc/13/02/19/172130219.db2.gz NQJGWRPADRIZCY-UHFFFAOYSA-N 1 2 237.306 3.305 10 0 BGAELO Cc1ccc(CNc2cccc[nH+]2)c(C)c1 ZINC000069831466 383847058 /nfs/dbraw/zinc/84/70/58/383847058.db2.gz WJRDLYGEWUOIFR-UHFFFAOYSA-N 1 2 212.296 3.311 10 0 BGAELO CC(C)c1ccc(-c2ccc[nH+]c2N)cc1 ZINC000069841523 370990808 /nfs/dbraw/zinc/99/08/08/370990808.db2.gz FTHBZFRVHBIDOH-UHFFFAOYSA-N 1 2 212.296 3.454 10 0 BGAELO Clc1ccc(C[NH2+][C@@H]2COc3ccccc32)o1 ZINC000070070237 387043571 /nfs/dbraw/zinc/04/35/71/387043571.db2.gz NLIWXTYLIGLWNI-LLVKDONJSA-N 1 2 249.697 3.156 10 0 BGAELO Clc1ccc(C[NH2+][C@H]2COc3ccccc32)o1 ZINC000070070238 387044075 /nfs/dbraw/zinc/04/40/75/387044075.db2.gz NLIWXTYLIGLWNI-NSHDSACASA-N 1 2 249.697 3.156 10 0 BGAELO Cc1cccc2[nH]c(CC(C)(C)C)[nH+]c21 ZINC000070234940 187275000 /nfs/dbraw/zinc/27/50/00/187275000.db2.gz TVWPRUAVLQVBMP-UHFFFAOYSA-N 1 2 202.301 3.460 10 0 BGAELO Cc1cccc2[nH+]c(CC(C)(C)C)[nH]c21 ZINC000070234940 187274998 /nfs/dbraw/zinc/27/49/98/187274998.db2.gz TVWPRUAVLQVBMP-UHFFFAOYSA-N 1 2 202.301 3.460 10 0 BGAELO CC(C)Oc1ccc(-c2ccc[nH+]c2N)cc1 ZINC000070318437 345668390 /nfs/dbraw/zinc/66/83/90/345668390.db2.gz NOEHWEGKHWVSDL-UHFFFAOYSA-N 1 2 228.295 3.118 10 0 BGAELO Nc1[nH+]cccc1-c1ccc(C(F)(F)F)cc1 ZINC000070318439 490205744 /nfs/dbraw/zinc/20/57/44/490205744.db2.gz IEVCAKDLUWSIQE-UHFFFAOYSA-N 1 2 238.212 3.350 10 0 BGAELO Nc1[nH+]cccc1-c1ccc2ccccc2c1 ZINC000070318444 345669063 /nfs/dbraw/zinc/66/90/63/345669063.db2.gz YCEZBUCGHACHSE-UHFFFAOYSA-N 1 2 220.275 3.484 10 0 BGAELO CC[C@@H]1CCC[C@H]([NH2+]CC(F)(F)F)C1 ZINC000070562089 323200380 /nfs/dbraw/zinc/20/03/80/323200380.db2.gz RJYDKWIGCCBXBV-BDAKNGLRSA-N 1 2 209.255 3.107 10 0 BGAELO CC[C@H]1CCC[C@H]([NH2+]CC(F)(F)F)C1 ZINC000070562090 323200430 /nfs/dbraw/zinc/20/04/30/323200430.db2.gz RJYDKWIGCCBXBV-IUCAKERBSA-N 1 2 209.255 3.107 10 0 BGAELO CC[C@@H]1CCC[C@@H]([NH2+]CC(F)(F)F)C1 ZINC000070562091 323200607 /nfs/dbraw/zinc/20/06/07/323200607.db2.gz RJYDKWIGCCBXBV-RKDXNWHRSA-N 1 2 209.255 3.107 10 0 BGAELO CC[C@H]1CCC[C@@H]([NH2+]CC(F)(F)F)C1 ZINC000070562092 323200550 /nfs/dbraw/zinc/20/05/50/323200550.db2.gz RJYDKWIGCCBXBV-DTWKUNHWSA-N 1 2 209.255 3.107 10 0 BGAELO Cc1c[nH]c(-c2ccc(F)cc2Cl)[nH+]1 ZINC000070653280 374172009 /nfs/dbraw/zinc/17/20/09/374172009.db2.gz LPXDCSYVLQUWJA-UHFFFAOYSA-N 1 2 210.639 3.178 10 0 BGAELO Cc1c[nH]c(-c2ccccc2Br)[nH+]1 ZINC000070653290 388439411 /nfs/dbraw/zinc/43/94/11/388439411.db2.gz JADVSTPPDABZLB-UHFFFAOYSA-N 1 2 237.100 3.148 10 0 BGAELO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2nccs2)o1 ZINC000070732304 384134520 /nfs/dbraw/zinc/13/45/20/384134520.db2.gz ZOHMNZPRMRVNJS-NXEZZACHSA-N 1 2 236.340 3.456 10 0 BGAELO Cc1ccc([C@H](C)[NH2+][C@H](C)c2nccs2)o1 ZINC000070732305 384134659 /nfs/dbraw/zinc/13/46/59/384134659.db2.gz ZOHMNZPRMRVNJS-VHSXEESVSA-N 1 2 236.340 3.456 10 0 BGAELO CC[C@@H]1CC[C@H](Nc2c[nH+]ccc2C)C1 ZINC000070762760 325028989 /nfs/dbraw/zinc/02/89/89/325028989.db2.gz VRUUKWDKGFNEPX-NEPJUHHUSA-N 1 2 204.317 3.381 10 0 BGAELO CC[C@H]1CC[C@H](Nc2c[nH+]ccc2C)C1 ZINC000070762763 325029254 /nfs/dbraw/zinc/02/92/54/325029254.db2.gz VRUUKWDKGFNEPX-RYUDHWBXSA-N 1 2 204.317 3.381 10 0 BGAELO CC[C@@H]1CC[C@@H](Nc2c[nH+]ccc2C)C1 ZINC000070762765 325029344 /nfs/dbraw/zinc/02/93/44/325029344.db2.gz VRUUKWDKGFNEPX-VXGBXAGGSA-N 1 2 204.317 3.381 10 0 BGAELO CC[C@H]1CC[C@@H](Nc2c[nH+]ccc2C)C1 ZINC000070762767 325029049 /nfs/dbraw/zinc/02/90/49/325029049.db2.gz VRUUKWDKGFNEPX-NWDGAFQWSA-N 1 2 204.317 3.381 10 0 BGAELO Cc1cc[nH+]cc1NC1CCC(C)CC1 ZINC000070957608 384143884 /nfs/dbraw/zinc/14/38/84/384143884.db2.gz MHKJSFHEHGIGQF-UHFFFAOYSA-N 1 2 204.317 3.381 10 0 BGAELO Cc1cc[nH+]cc1N[C@@H]1CCCC[C@@H]1C ZINC000070957696 384143848 /nfs/dbraw/zinc/14/38/48/384143848.db2.gz ZSUIFHARQCCEMF-CMPLNLGQSA-N 1 2 204.317 3.381 10 0 BGAELO Cc1cc[nH+]cc1N[C@H]1CCCC[C@@H]1C ZINC000070957699 179494682 /nfs/dbraw/zinc/49/46/82/179494682.db2.gz ZSUIFHARQCCEMF-JQWIXIFHSA-N 1 2 204.317 3.381 10 0 BGAELO Cc1cc[nH+]cc1N[C@@H]1CCCC[C@H]1C ZINC000070957702 384143539 /nfs/dbraw/zinc/14/35/39/384143539.db2.gz ZSUIFHARQCCEMF-ZYHUDNBSSA-N 1 2 204.317 3.381 10 0 BGAELO Cc1cc[nH+]cc1N[C@H]1CCCC[C@H]1C ZINC000070957707 384142583 /nfs/dbraw/zinc/14/25/83/384142583.db2.gz ZSUIFHARQCCEMF-PWSUYJOCSA-N 1 2 204.317 3.381 10 0 BGAELO Cc1cc[nH+]cc1N[C@@H]1CCC[C@H](C)C1 ZINC000070957708 384143762 /nfs/dbraw/zinc/14/37/62/384143762.db2.gz YJPLMAOASZOZSG-CMPLNLGQSA-N 1 2 204.317 3.381 10 0 BGAELO Cc1cc[nH+]cc1N[C@H]1CCC[C@H](C)C1 ZINC000070957712 384143094 /nfs/dbraw/zinc/14/30/94/384143094.db2.gz YJPLMAOASZOZSG-JQWIXIFHSA-N 1 2 204.317 3.381 10 0 BGAELO Cc1cc[nH+]cc1N[C@@H]1CCC[C@@H](C)C1 ZINC000070957716 384144308 /nfs/dbraw/zinc/14/43/08/384144308.db2.gz YJPLMAOASZOZSG-ZYHUDNBSSA-N 1 2 204.317 3.381 10 0 BGAELO Cc1cc[nH+]cc1N[C@H]1CCC[C@@H](C)C1 ZINC000070957721 384143404 /nfs/dbraw/zinc/14/34/04/384143404.db2.gz YJPLMAOASZOZSG-PWSUYJOCSA-N 1 2 204.317 3.381 10 0 BGAELO Cc1cc[nH+]cc1NCCc1ccccc1 ZINC000070957735 643089042 /nfs/dbraw/zinc/08/90/42/643089042.db2.gz VLTIGCHPBNZSCM-UHFFFAOYSA-N 1 2 212.296 3.045 10 0 BGAELO Cc1cc[nH+]cc1N[C@@H](C)c1ccco1 ZINC000070958112 384143236 /nfs/dbraw/zinc/14/32/36/384143236.db2.gz ZCKFZFVYNXNZCQ-JTQLQIEISA-N 1 2 202.257 3.156 10 0 BGAELO Cc1cc[nH+]cc1N[C@H](C)c1ccco1 ZINC000070958116 384143146 /nfs/dbraw/zinc/14/31/46/384143146.db2.gz ZCKFZFVYNXNZCQ-SNVBAGLBSA-N 1 2 202.257 3.156 10 0 BGAELO Cc1cc[nH+]cc1N[C@@H](C)C1CCCC1 ZINC000070958519 325047577 /nfs/dbraw/zinc/04/75/77/325047577.db2.gz QWDDBSUMPQDADK-NSHDSACASA-N 1 2 204.317 3.381 10 0 BGAELO Cc1cc[nH+]cc1N[C@H](C)C1CCCC1 ZINC000070958526 325047257 /nfs/dbraw/zinc/04/72/57/325047257.db2.gz QWDDBSUMPQDADK-LLVKDONJSA-N 1 2 204.317 3.381 10 0 BGAELO Fc1cccnc1Nc1ccc2c(c1)CCC[NH2+]2 ZINC000071214965 181017472 /nfs/dbraw/zinc/01/74/72/181017472.db2.gz XGKZQZXLRJUDMO-UHFFFAOYSA-N 1 2 243.285 3.322 10 0 BGAELO [NH2+]=C1c2cc(F)ccc2CN1c1ccccc1 ZINC000071268633 181207595 /nfs/dbraw/zinc/20/75/95/181207595.db2.gz PWCXPHOONAPBFB-UHFFFAOYSA-N 1 2 226.254 3.171 10 0 BGAELO Cc1nc([C@H](C)[NH2+]Cc2ncccc2C)cs1 ZINC000071339677 180051677 /nfs/dbraw/zinc/05/16/77/180051677.db2.gz GSNRYTQLACKHGN-JTQLQIEISA-N 1 2 247.367 3.006 10 0 BGAELO Cc1nc([C@@H](C)[NH2+]Cc2ncccc2C)cs1 ZINC000071339678 180036796 /nfs/dbraw/zinc/03/67/96/180036796.db2.gz GSNRYTQLACKHGN-SNVBAGLBSA-N 1 2 247.367 3.006 10 0 BGAELO CC(C)c1cc(C(C)C)nc([C@@H]2CCC[NH2+]C2)n1 ZINC000071398022 167570542 /nfs/dbraw/zinc/57/05/42/167570542.db2.gz STQFMLPMTVLCBM-GFCCVEGCSA-N 1 2 247.386 3.190 10 0 BGAELO Cc1cc[nH+]cc1N[C@@H]1CCc2ccccc21 ZINC000071413402 359079517 /nfs/dbraw/zinc/07/95/17/359079517.db2.gz WHHLMOWCOGYPGS-CQSZACIVSA-N 1 2 224.307 3.489 10 0 BGAELO Cc1cc[nH+]cc1N[C@H]1CCc2ccccc21 ZINC000071413403 359079204 /nfs/dbraw/zinc/07/92/04/359079204.db2.gz WHHLMOWCOGYPGS-AWEZNQCLSA-N 1 2 224.307 3.489 10 0 BGAELO Cc1cc[nH+]cc1NCc1cc(C)c(O)c(C)c1 ZINC000071413610 384166549 /nfs/dbraw/zinc/16/65/49/384166549.db2.gz NRHGVILMTCQUGW-UHFFFAOYSA-N 1 2 242.322 3.325 10 0 BGAELO Cc1cc[nH+]cc1N[C@@H](C)CCc1ccco1 ZINC000071413652 350106748 /nfs/dbraw/zinc/10/67/48/350106748.db2.gz JXPSVZMGIAGPAH-LBPRGKRZSA-N 1 2 230.311 3.416 10 0 BGAELO Cc1cc[nH+]cc1N[C@H](C)CCc1ccco1 ZINC000071413653 350106736 /nfs/dbraw/zinc/10/67/36/350106736.db2.gz JXPSVZMGIAGPAH-GFCCVEGCSA-N 1 2 230.311 3.416 10 0 BGAELO Cc1cc[nH+]cc1N[C@@H]1CCc2ccccc2C1 ZINC000071413781 325073953 /nfs/dbraw/zinc/07/39/53/325073953.db2.gz SWZDWZVIGJPENH-OAHLLOKOSA-N 1 2 238.334 3.359 10 0 BGAELO Cc1cc[nH+]cc1N[C@H]1CCc2ccccc2C1 ZINC000071413782 325073522 /nfs/dbraw/zinc/07/35/22/325073522.db2.gz SWZDWZVIGJPENH-HNNXBMFYSA-N 1 2 238.334 3.359 10 0 BGAELO COc1cccc(-c2cn3cccc(C)c3[nH+]2)c1 ZINC000071570349 175235356 /nfs/dbraw/zinc/23/53/56/175235356.db2.gz KJKOXFRHJAUKQB-UHFFFAOYSA-N 1 2 238.290 3.318 10 0 BGAELO COc1ccccc1-c1cn2cc(C)ccc2[nH+]1 ZINC000071570646 175309713 /nfs/dbraw/zinc/30/97/13/175309713.db2.gz RKGAIQWFMOGFHI-UHFFFAOYSA-N 1 2 238.290 3.318 10 0 BGAELO Fc1ccc(-c2cn3cc(F)ccc3[nH+]2)cc1 ZINC000071570911 343711549 /nfs/dbraw/zinc/71/15/49/343711549.db2.gz VFVBCVHILDNEOO-UHFFFAOYSA-N 1 2 230.217 3.280 10 0 BGAELO CC[C@@H](C)[NH2+]c1ccc(N(C)CC)cc1 ZINC000071789434 398161739 /nfs/dbraw/zinc/16/17/39/398161739.db2.gz ZDGSZMZCSNWAFY-LLVKDONJSA-N 1 2 206.333 3.353 10 0 BGAELO CC[C@H](C)[NH2+]c1ccc(N(C)CC)cc1 ZINC000071789435 171349390 /nfs/dbraw/zinc/34/93/90/171349390.db2.gz ZDGSZMZCSNWAFY-NSHDSACASA-N 1 2 206.333 3.353 10 0 BGAELO Cc1cc(O)ccc1-c1cccc2[nH+]ccn21 ZINC000072122033 178199906 /nfs/dbraw/zinc/19/99/06/178199906.db2.gz ZVRAPASIIXTOJI-UHFFFAOYSA-N 1 2 224.263 3.015 10 0 BGAELO CCCNc1nc(NCCC)c2ccccc2[nH+]1 ZINC000072183215 169295832 /nfs/dbraw/zinc/29/58/32/169295832.db2.gz OCCWDWMJFZZAQV-UHFFFAOYSA-N 1 2 244.342 3.274 10 0 BGAELO Nc1cc(-c2ccccc2C(F)(F)F)cc[nH+]1 ZINC000072191778 191004182 /nfs/dbraw/zinc/00/41/82/191004182.db2.gz FOSFMXKFGYKPBG-UHFFFAOYSA-N 1 2 238.212 3.350 10 0 BGAELO Nc1cc[nH+]c2cc(C(F)(F)F)c(Cl)cc12 ZINC000072237272 384842666 /nfs/dbraw/zinc/84/26/66/384842666.db2.gz ZYMYFBUCOWGJJJ-UHFFFAOYSA-N 1 2 246.619 3.489 10 0 BGAELO Cc1ccc2[nH+]c(CCC(F)(F)F)[nH]c2c1 ZINC000072265836 384204180 /nfs/dbraw/zinc/20/41/80/384204180.db2.gz PIKSPELCLNHEPQ-UHFFFAOYSA-N 1 2 228.217 3.366 10 0 BGAELO Cc1ccc2[nH]c(CCC(F)(F)F)[nH+]c2c1 ZINC000072265836 384204177 /nfs/dbraw/zinc/20/41/77/384204177.db2.gz PIKSPELCLNHEPQ-UHFFFAOYSA-N 1 2 228.217 3.366 10 0 BGAELO c1ccc(N[C@H]2CCc3ccccc32)[nH+]c1 ZINC000073109603 384025252 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248.713 3.301 10 0 BGAELO COc1ccc(-c2c[nH+]c(N)c(C)c2)cc1Cl ZINC000082730069 175035654 /nfs/dbraw/zinc/03/56/54/175035654.db2.gz ZFVFWQXFCANNGN-UHFFFAOYSA-N 1 2 248.713 3.301 10 0 BGAELO CC(C)Nc1[nH]c2cc(Cl)ccc2[nH+]1 ZINC000082739889 167148706 /nfs/dbraw/zinc/14/87/06/167148706.db2.gz SWYYVRPCYXBQAF-UHFFFAOYSA-N 1 2 209.680 3.037 10 0 BGAELO CC(C)Nc1[nH]c2ccc(Cl)cc2[nH+]1 ZINC000082739889 167148704 /nfs/dbraw/zinc/14/87/04/167148704.db2.gz SWYYVRPCYXBQAF-UHFFFAOYSA-N 1 2 209.680 3.037 10 0 BGAELO FC(F)(F)C[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000082862735 348855457 /nfs/dbraw/zinc/85/54/57/348855457.db2.gz KNSPRXIMDGQSSJ-NKWVEPMBSA-N 1 2 249.198 3.259 10 0 BGAELO FC(F)(F)C[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000082862736 348860717 /nfs/dbraw/zinc/86/07/17/348860717.db2.gz KNSPRXIMDGQSSJ-RNFRBKRXSA-N 1 2 249.198 3.259 10 0 BGAELO FC(F)(F)C[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000082862737 348860420 /nfs/dbraw/zinc/86/04/20/348860420.db2.gz KNSPRXIMDGQSSJ-BQBZGAKWSA-N 1 2 249.198 3.259 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CC(C)[C@@H]1CCC[C@]([NH3+])(C(F)(F)F)CC1 ZINC000083438326 384771131 /nfs/dbraw/zinc/77/11/31/384771131.db2.gz WIXJMNQMCNQCRX-NXEZZACHSA-N 1 2 223.282 3.483 10 0 BGAELO CC(C)[C@H]1CCC[C@]([NH3+])(C(F)(F)F)CC1 ZINC000083438327 384771996 /nfs/dbraw/zinc/77/19/96/384771996.db2.gz WIXJMNQMCNQCRX-VHSXEESVSA-N 1 2 223.282 3.483 10 0 BGAELO CC(C)[C@@H]1CCC[C@@]([NH3+])(C(F)(F)F)CC1 ZINC000083438328 188141252 /nfs/dbraw/zinc/14/12/52/188141252.db2.gz WIXJMNQMCNQCRX-ZJUUUORDSA-N 1 2 223.282 3.483 10 0 BGAELO CC(C)[C@H]1CCC[C@@]([NH3+])(C(F)(F)F)CC1 ZINC000083438329 384771485 /nfs/dbraw/zinc/77/14/85/384771485.db2.gz WIXJMNQMCNQCRX-UWVGGRQHSA-N 1 2 223.282 3.483 10 0 BGAELO Cc1cc(NCCC2CC2)nc(C(C)C)[nH+]1 ZINC000083911148 388066781 /nfs/dbraw/zinc/06/67/81/388066781.db2.gz BBSDLMVSSKZNPA-UHFFFAOYSA-N 1 2 219.332 3.120 10 0 BGAELO CCn1cc[nH+]c1CSc1cccc(F)c1 ZINC000084841375 387464125 /nfs/dbraw/zinc/46/41/25/387464125.db2.gz DPXWAAUGASHCOV-UHFFFAOYSA-N 1 2 236.315 3.334 10 0 BGAELO 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COc1cc([NH2+]C2CCC(C)CC2)ccc1N ZINC000104239940 175001486 /nfs/dbraw/zinc/00/14/86/175001486.db2.gz VNGZELRLRSNTOG-UHFFFAOYSA-N 1 2 234.343 3.268 10 0 BGAELO COc1cc([NH2+]C[C@@H]2C[C@H]3CC[C@@H]2C3)ccc1N ZINC000104251185 175002333 /nfs/dbraw/zinc/00/23/33/175002333.db2.gz OMWBUOPRMJOCJA-TUAOUCFPSA-N 1 2 246.354 3.126 10 0 BGAELO COc1cc([NH2+]C[C@H]2C[C@H]3CC[C@@H]2C3)ccc1N ZINC000104251188 175002639 /nfs/dbraw/zinc/00/26/39/175002639.db2.gz OMWBUOPRMJOCJA-QJPTWQEYSA-N 1 2 246.354 3.126 10 0 BGAELO c1cn(C[C@H]2CCCc3ccccc32)c[nH+]1 ZINC000104291798 183442165 /nfs/dbraw/zinc/44/21/65/183442165.db2.gz HFISYLUGAIBFGY-CYBMUJFWSA-N 1 2 212.296 3.003 10 0 BGAELO Cc1cc(CO)ccc1[N@H+]1CCC[C@H](C)CC1 ZINC000104364602 178046305 /nfs/dbraw/zinc/04/63/05/178046305.db2.gz ZQSAZPRDPPIPIV-LBPRGKRZSA-N 1 2 233.355 3.114 10 0 BGAELO Cc1cc(CO)ccc1[N@@H+]1CCC[C@H](C)CC1 ZINC000104364602 178046304 /nfs/dbraw/zinc/04/63/04/178046304.db2.gz ZQSAZPRDPPIPIV-LBPRGKRZSA-N 1 2 233.355 3.114 10 0 BGAELO Cc1cc(CO)ccc1[N@H+]1CCC[C@@H](C)CC1 ZINC000104364605 178045764 /nfs/dbraw/zinc/04/57/64/178045764.db2.gz ZQSAZPRDPPIPIV-GFCCVEGCSA-N 1 2 233.355 3.114 10 0 BGAELO Cc1cc(CO)ccc1[N@@H+]1CCC[C@@H](C)CC1 ZINC000104364605 178045761 /nfs/dbraw/zinc/04/57/61/178045761.db2.gz ZQSAZPRDPPIPIV-GFCCVEGCSA-N 1 2 233.355 3.114 10 0 BGAELO CCn1cc[nH+]c1Cn1ccc2cc(F)ccc21 ZINC000104418303 172226317 /nfs/dbraw/zinc/22/63/17/172226317.db2.gz FJMRKIZPCWTXPG-UHFFFAOYSA-N 1 2 243.285 3.045 10 0 BGAELO Cc1cc([NH3+])ccc1NCCOC1CCCCC1 ZINC000104432549 178105730 /nfs/dbraw/zinc/10/57/30/178105730.db2.gz PAIYAJDDFGPYDK-UHFFFAOYSA-N 1 2 248.370 3.338 10 0 BGAELO CCn1cc[nH+]c1CSC1CCCCC1 ZINC000106436170 172226283 /nfs/dbraw/zinc/22/62/83/172226283.db2.gz LGFCNYJAKRBWSZ-UHFFFAOYSA-N 1 2 224.373 3.469 10 0 BGAELO CC(C)CSCc1[nH+]ccn1C(C)C ZINC000109196780 188530963 /nfs/dbraw/zinc/53/09/63/188530963.db2.gz TWLRHKRXIQDJTO-UHFFFAOYSA-N 1 2 212.362 3.353 10 0 BGAELO CC(C)c1nc(N[C@@H](C)C(C)C)cc[nH+]1 ZINC000110112500 385381412 /nfs/dbraw/zinc/38/14/12/385381412.db2.gz KYOLDLMIAINUFT-JTQLQIEISA-N 1 2 207.321 3.056 10 0 BGAELO CC(C)c1nc(N[C@H](C)C(C)C)cc[nH+]1 ZINC000110112501 385381750 /nfs/dbraw/zinc/38/17/50/385381750.db2.gz KYOLDLMIAINUFT-SNVBAGLBSA-N 1 2 207.321 3.056 10 0 BGAELO CCNc1nc(C(C)C)[nH+]c2c1CCCCC2 ZINC000110514427 170176371 /nfs/dbraw/zinc/17/63/71/170176371.db2.gz PECVUFNVRXZZJC-UHFFFAOYSA-N 1 2 233.359 3.301 10 0 BGAELO CCCNc1nc(C(C)(C)C)[nH+]c(CC)c1C ZINC000111726885 169295469 /nfs/dbraw/zinc/29/54/69/169295469.db2.gz SHGLEKDXCKMFLA-UHFFFAOYSA-N 1 2 235.375 3.467 10 0 BGAELO C[C@@H](c1c[nH]c[nH+]1)c1cccc2cccnc21 ZINC000114305938 345756833 /nfs/dbraw/zinc/75/68/33/345756833.db2.gz IIQQWZQTXDISRD-SNVBAGLBSA-N 1 2 223.279 3.110 10 0 BGAELO C[C@H](c1c[nH]c[nH+]1)c1cccc2cccnc21 ZINC000114305939 345756402 /nfs/dbraw/zinc/75/64/02/345756402.db2.gz IIQQWZQTXDISRD-JTQLQIEISA-N 1 2 223.279 3.110 10 0 BGAELO Nc1[nH+]ccc2cc(-c3ccccc3)oc21 ZINC000114334252 370554254 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/nfs/dbraw/zinc/93/17/67/386931767.db2.gz TTXPRIZINNJXML-GFCCVEGCSA-N 1 2 246.310 3.222 10 0 BGAELO Cc1nc(C[N@@H+]2CCC[C@@H]2c2ccco2)oc1C ZINC000116287488 386931762 /nfs/dbraw/zinc/93/17/62/386931762.db2.gz TTXPRIZINNJXML-GFCCVEGCSA-N 1 2 246.310 3.222 10 0 BGAELO Cc1nc(C[N@H+]2CCC[C@H]2c2ccco2)oc1C ZINC000116287495 386930920 /nfs/dbraw/zinc/93/09/20/386930920.db2.gz TTXPRIZINNJXML-LBPRGKRZSA-N 1 2 246.310 3.222 10 0 BGAELO Cc1nc(C[N@@H+]2CCC[C@H]2c2ccco2)oc1C ZINC000116287495 386930917 /nfs/dbraw/zinc/93/09/17/386930917.db2.gz TTXPRIZINNJXML-LBPRGKRZSA-N 1 2 246.310 3.222 10 0 BGAELO CCn1cc[nH+]c1CSc1cccs1 ZINC000117109617 172226914 /nfs/dbraw/zinc/22/69/14/172226914.db2.gz TZKNIFWGIJXTRI-UHFFFAOYSA-N 1 2 224.354 3.257 10 0 BGAELO CC(C)[C@@H](c1c[nH]c[nH+]1)c1ccccc1 ZINC000118031670 343035175 /nfs/dbraw/zinc/03/51/75/343035175.db2.gz SJAKBMFMUJHHOU-CYBMUJFWSA-N 1 2 200.285 3.198 10 0 BGAELO CC(C)[C@H](c1c[nH]c[nH+]1)c1ccccc1 ZINC000118031672 343035033 /nfs/dbraw/zinc/03/50/33/343035033.db2.gz SJAKBMFMUJHHOU-ZDUSSCGKSA-N 1 2 200.285 3.198 10 0 BGAELO Cc1ccc2ccccc2c1Cc1c[nH]c[nH+]1 ZINC000118035398 343036907 /nfs/dbraw/zinc/03/69/07/343036907.db2.gz AGUWJLWBDPDMLX-UHFFFAOYSA-N 1 2 222.291 3.462 10 0 BGAELO CCC[C@@H](c1c[nH]c[nH+]1)c1ccccc1 ZINC000118039741 343037014 /nfs/dbraw/zinc/03/70/14/343037014.db2.gz OSISXFHSZLMQCH-GFCCVEGCSA-N 1 2 200.285 3.342 10 0 BGAELO CCC[C@H](c1c[nH]c[nH+]1)c1ccccc1 ZINC000118039743 343037065 /nfs/dbraw/zinc/03/70/65/343037065.db2.gz OSISXFHSZLMQCH-LBPRGKRZSA-N 1 2 200.285 3.342 10 0 BGAELO CSC(=[NH2+])c1cccc(Br)c1 ZINC000118340278 384198090 /nfs/dbraw/zinc/19/80/90/384198090.db2.gz UBZIUBQUIMIRNY-UHFFFAOYSA-N 1 2 230.130 3.137 10 0 BGAELO Cc1nc(C[N@H+]2CCC[C@@H]2c2ccco2)cs1 ZINC000120843133 387276668 /nfs/dbraw/zinc/27/66/68/387276668.db2.gz PJBIULDCDUBIJA-GFCCVEGCSA-N 1 2 248.351 3.382 10 0 BGAELO Cc1nc(C[N@@H+]2CCC[C@@H]2c2ccco2)cs1 ZINC000120843133 387276664 /nfs/dbraw/zinc/27/66/64/387276664.db2.gz PJBIULDCDUBIJA-GFCCVEGCSA-N 1 2 248.351 3.382 10 0 BGAELO Cc1nc(C[N@H+]2CCC[C@H]2c2ccco2)cs1 ZINC000120843265 387275453 /nfs/dbraw/zinc/27/54/53/387275453.db2.gz PJBIULDCDUBIJA-LBPRGKRZSA-N 1 2 248.351 3.382 10 0 BGAELO Cc1nc(C[N@@H+]2CCC[C@H]2c2ccco2)cs1 ZINC000120843265 387275448 /nfs/dbraw/zinc/27/54/48/387275448.db2.gz PJBIULDCDUBIJA-LBPRGKRZSA-N 1 2 248.351 3.382 10 0 BGAELO FC(F)(F)CCCCNc1cccc[nH+]1 ZINC000122321768 385911729 /nfs/dbraw/zinc/91/17/29/385911729.db2.gz BRWZOFLTKDPNRJ-UHFFFAOYSA-N 1 2 218.222 3.226 10 0 BGAELO C/C=C/CCNc1cc(C)[nH+]c(C(C)C)n1 ZINC000123781082 386572526 /nfs/dbraw/zinc/57/25/26/386572526.db2.gz FSBYIEMULBKOCS-AATRIKPKSA-N 1 2 219.332 3.287 10 0 BGAELO CC[C@@H](C)CSCc1[nH+]ccn1CC ZINC000123884714 170714234 /nfs/dbraw/zinc/71/42/34/170714234.db2.gz SROHZLUNWAZZMN-SNVBAGLBSA-N 1 2 212.362 3.182 10 0 BGAELO CC[C@H](C)CSCc1[nH+]ccn1CC ZINC000123884942 171293840 /nfs/dbraw/zinc/29/38/40/171293840.db2.gz SROHZLUNWAZZMN-JTQLQIEISA-N 1 2 212.362 3.182 10 0 BGAELO Cc1[nH+]cccc1N[C@@H]1CCCc2occc21 ZINC000124074496 180226231 /nfs/dbraw/zinc/22/62/31/180226231.db2.gz HFMLGXKOOJPVKY-CYBMUJFWSA-N 1 2 228.295 3.473 10 0 BGAELO Cc1[nH+]cccc1N[C@H]1CCCc2occc21 ZINC000124074678 180228625 /nfs/dbraw/zinc/22/86/25/180228625.db2.gz HFMLGXKOOJPVKY-ZDUSSCGKSA-N 1 2 228.295 3.473 10 0 BGAELO Cc1ccc([C@@H]2CCCC[N@H+]2Cc2ccon2)o1 ZINC000124683873 384667515 /nfs/dbraw/zinc/66/75/15/384667515.db2.gz QSDNIJYTNJYPGV-ZDUSSCGKSA-N 1 2 246.310 3.303 10 0 BGAELO Cc1ccc([C@@H]2CCCC[N@@H+]2Cc2ccon2)o1 ZINC000124683873 384667513 /nfs/dbraw/zinc/66/75/13/384667513.db2.gz QSDNIJYTNJYPGV-ZDUSSCGKSA-N 1 2 246.310 3.303 10 0 BGAELO Cc1ccc([C@H]2CCCC[N@H+]2Cc2ccon2)o1 ZINC000124684101 384666786 /nfs/dbraw/zinc/66/67/86/384666786.db2.gz QSDNIJYTNJYPGV-CYBMUJFWSA-N 1 2 246.310 3.303 10 0 BGAELO Cc1ccc([C@H]2CCCC[N@@H+]2Cc2ccon2)o1 ZINC000124684101 384666781 /nfs/dbraw/zinc/66/67/81/384666781.db2.gz QSDNIJYTNJYPGV-CYBMUJFWSA-N 1 2 246.310 3.303 10 0 BGAELO CC[C@@H]1CC[C@H](Nc2c[nH+]cc(C)c2)C1 ZINC000125087542 324631713 /nfs/dbraw/zinc/63/17/13/324631713.db2.gz MZQSPMXSJGFULA-NEPJUHHUSA-N 1 2 204.317 3.381 10 0 BGAELO CC[C@H]1CC[C@H](Nc2c[nH+]cc(C)c2)C1 ZINC000125087753 324632396 /nfs/dbraw/zinc/63/23/96/324632396.db2.gz MZQSPMXSJGFULA-RYUDHWBXSA-N 1 2 204.317 3.381 10 0 BGAELO CC(C)n1cc[nH+]c1CSCC1CC1 ZINC000125299291 384705911 /nfs/dbraw/zinc/70/59/11/384705911.db2.gz AWLFRAHBBLLJET-UHFFFAOYSA-N 1 2 210.346 3.107 10 0 BGAELO COc1cc(C)c(-c2c[nH+]c(N)c(C)c2)cc1C ZINC000125377642 411368312 /nfs/dbraw/zinc/36/83/12/411368312.db2.gz VHOBLLNTLWUWSQ-UHFFFAOYSA-N 1 2 242.322 3.265 10 0 BGAELO Clc1ccc2nc(Cl)c3c[nH+]cn3c2c1 ZINC000126850076 388683612 /nfs/dbraw/zinc/68/36/12/388683612.db2.gz QQFSCGYTBDYLSG-UHFFFAOYSA-N 1 2 238.077 3.189 10 0 BGAELO c1coc(C[N@H+]2CCCC[C@@H]2c2nccs2)c1 ZINC000127702949 387725528 /nfs/dbraw/zinc/72/55/28/387725528.db2.gz WBBXFHNBKGEWAZ-GFCCVEGCSA-N 1 2 248.351 3.463 10 0 BGAELO c1coc(C[N@@H+]2CCCC[C@@H]2c2nccs2)c1 ZINC000127702949 387725524 /nfs/dbraw/zinc/72/55/24/387725524.db2.gz WBBXFHNBKGEWAZ-GFCCVEGCSA-N 1 2 248.351 3.463 10 0 BGAELO c1coc(C[N@H+]2CCCC[C@H]2c2nccs2)c1 ZINC000127703181 387726273 /nfs/dbraw/zinc/72/62/73/387726273.db2.gz WBBXFHNBKGEWAZ-LBPRGKRZSA-N 1 2 248.351 3.463 10 0 BGAELO c1coc(C[N@@H+]2CCCC[C@H]2c2nccs2)c1 ZINC000127703181 387726271 /nfs/dbraw/zinc/72/62/71/387726271.db2.gz WBBXFHNBKGEWAZ-LBPRGKRZSA-N 1 2 248.351 3.463 10 0 BGAELO Cc1cc(NCC(F)F)c2cccc(F)c2[nH+]1 ZINC000128118838 178157348 /nfs/dbraw/zinc/15/73/48/178157348.db2.gz RHRRMZBVYDMKEA-UHFFFAOYSA-N 1 2 240.228 3.359 10 0 BGAELO Oc1ccc(Cl)cc1-c1cccc2[nH+]ccn21 ZINC000128354918 343174142 /nfs/dbraw/zinc/17/41/42/343174142.db2.gz DENCHKUGWKUKOR-UHFFFAOYSA-N 1 2 244.681 3.360 10 0 BGAELO C[C@H](Nc1cc[nH+]c(C2CC2)n1)C(C)(C)C ZINC000128703413 384960376 /nfs/dbraw/zinc/96/03/76/384960376.db2.gz ZAWSASPPKWVRLO-VIFPVBQESA-N 1 2 219.332 3.201 10 0 BGAELO CCOC(=[NH2+])c1c(C)oc2ccccc21 ZINC000128758906 385917952 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206.314 3.043 10 0 BGAELO C[NH2+]CC(F)(F)c1ccc(Cl)c(Cl)c1 ZINC000131784791 371673588 /nfs/dbraw/zinc/67/35/88/371673588.db2.gz WTZHAAAGKPWBJH-UHFFFAOYSA-N 1 2 240.080 3.305 10 0 BGAELO CCCC[C@@H](COC)Nc1c[nH+]ccc1C ZINC000132211808 191028199 /nfs/dbraw/zinc/02/81/99/191028199.db2.gz ZSYDLNQDQQQWCQ-LBPRGKRZSA-N 1 2 222.332 3.007 10 0 BGAELO CCCC[C@H](COC)Nc1c[nH+]ccc1C ZINC000132212006 191028275 /nfs/dbraw/zinc/02/82/75/191028275.db2.gz ZSYDLNQDQQQWCQ-GFCCVEGCSA-N 1 2 222.332 3.007 10 0 BGAELO Cc1cc(Cl)c2[nH+]ccc(N)c2c1Cl ZINC000132273927 371783490 /nfs/dbraw/zinc/78/34/90/371783490.db2.gz QLGOTBBUSQXWAK-UHFFFAOYSA-N 1 2 227.094 3.432 10 0 BGAELO CC(C)COCCNc1ccc2ccccc2[nH+]1 ZINC000132304260 386229788 /nfs/dbraw/zinc/22/97/88/386229788.db2.gz NQPLHPAEINSDPO-UHFFFAOYSA-N 1 2 244.338 3.319 10 0 BGAELO CC(C)c1c[nH+]c2c(Br)cccn12 ZINC000132417827 371817596 /nfs/dbraw/zinc/81/75/96/371817596.db2.gz NQRKGFDSOUWOQM-UHFFFAOYSA-N 1 2 239.116 3.220 10 0 BGAELO Cc1cc2ccccc2[nH+]c1NCC(F)F 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/nfs/dbraw/zinc/35/37/89/325353789.db2.gz HFGULXDAOCUHGO-ZDUSSCGKSA-N 1 2 204.317 3.237 10 0 BGAELO CCc1cnc([C@@H](C)Nc2cccc[nH+]2)s1 ZINC000134928997 353513636 /nfs/dbraw/zinc/51/36/36/353513636.db2.gz HOBCGMCBIQQIDE-SECBINFHSA-N 1 2 233.340 3.274 10 0 BGAELO CCc1cnc([C@H](C)Nc2cccc[nH+]2)s1 ZINC000134929016 353513631 /nfs/dbraw/zinc/51/36/31/353513631.db2.gz HOBCGMCBIQQIDE-VIFPVBQESA-N 1 2 233.340 3.274 10 0 BGAELO c1coc([C@@H]2CCC[N@@H+]2Cc2nccs2)c1 ZINC000135083856 358819873 /nfs/dbraw/zinc/81/98/73/358819873.db2.gz VYJYXOZNHGXPMW-JTQLQIEISA-N 1 2 234.324 3.073 10 0 BGAELO c1coc([C@@H]2CCC[N@H+]2Cc2nccs2)c1 ZINC000135083856 358819871 /nfs/dbraw/zinc/81/98/71/358819871.db2.gz VYJYXOZNHGXPMW-JTQLQIEISA-N 1 2 234.324 3.073 10 0 BGAELO c1coc([C@H]2CCC[N@@H+]2Cc2nccs2)c1 ZINC000135083871 358820028 /nfs/dbraw/zinc/82/00/28/358820028.db2.gz VYJYXOZNHGXPMW-SNVBAGLBSA-N 1 2 234.324 3.073 10 0 BGAELO c1coc([C@H]2CCC[N@H+]2Cc2nccs2)c1 ZINC000135083871 358820026 /nfs/dbraw/zinc/82/00/26/358820026.db2.gz VYJYXOZNHGXPMW-SNVBAGLBSA-N 1 2 234.324 3.073 10 0 BGAELO c1ccc([C@H]2[NH+]=CNc3ccccc32)cc1 ZINC000137622802 187299038 /nfs/dbraw/zinc/29/90/38/187299038.db2.gz ZYRBCSVZLSZKAH-CQSZACIVSA-N 1 2 208.264 3.230 10 0 BGAELO CCCCCC[N@@H+](C)c1ccc(N)cc1OC ZINC000138135776 342781526 /nfs/dbraw/zinc/78/15/26/342781526.db2.gz USRDCMYPQFJOKA-UHFFFAOYSA-N 1 2 236.359 3.294 10 0 BGAELO CCCCCC[N@H+](C)c1ccc(N)cc1OC ZINC000138135776 342781524 /nfs/dbraw/zinc/78/15/24/342781524.db2.gz USRDCMYPQFJOKA-UHFFFAOYSA-N 1 2 236.359 3.294 10 0 BGAELO Cc1cc(OC(C)C)c2cccc(O)c2[nH+]1 ZINC000138638121 342980524 /nfs/dbraw/zinc/98/05/24/342980524.db2.gz WFPIEQQJWGRVBB-UHFFFAOYSA-N 1 2 217.268 3.036 10 0 BGAELO CCCOc1cc(C)[nH+]c2c(O)cccc12 ZINC000138666420 350828584 /nfs/dbraw/zinc/82/85/84/350828584.db2.gz AKVNGMALILJRPA-UHFFFAOYSA-N 1 2 217.268 3.038 10 0 BGAELO CCCC[NH2+]c1ccc(N2CCC(=O)CC2)cc1 ZINC000139180676 343277917 /nfs/dbraw/zinc/27/79/17/343277917.db2.gz JBRMEJKKWMFBHG-UHFFFAOYSA-N 1 2 246.354 3.068 10 0 BGAELO COc1cc(NCc2ccccc2)c(C)cc1[NH3+] ZINC000139499609 356439994 /nfs/dbraw/zinc/43/99/94/356439994.db2.gz GHZLBTJPRPYDQC-UHFFFAOYSA-N 1 2 242.322 3.198 10 0 BGAELO Br/C=C(/c1ccccc1)n1cc[nH+]c1 ZINC000140126880 345852491 /nfs/dbraw/zinc/85/24/91/345852491.db2.gz ZBQJEUWARSDGAF-FLIBITNWSA-N 1 2 249.111 3.125 10 0 BGAELO Cc1cc(Br)ccc1-c1[nH]cc[nH+]1 ZINC000140421861 372654513 /nfs/dbraw/zinc/65/45/13/372654513.db2.gz PVCFIBQDVJYTMD-UHFFFAOYSA-N 1 2 237.100 3.148 10 0 BGAELO CC(C)[N@H+]1CCOC[C@@H]1c1cccc(Cl)c1 ZINC000140644042 343077123 /nfs/dbraw/zinc/07/71/23/343077123.db2.gz YDNBUKTYLJXTTD-CYBMUJFWSA-N 1 2 239.746 3.122 10 0 BGAELO CC(C)[N@@H+]1CCOC[C@@H]1c1cccc(Cl)c1 ZINC000140644042 343077122 /nfs/dbraw/zinc/07/71/22/343077122.db2.gz YDNBUKTYLJXTTD-CYBMUJFWSA-N 1 2 239.746 3.122 10 0 BGAELO CC(C)[N@H+]1CCOC[C@H]1c1cccc(Cl)c1 ZINC000140644221 343076791 /nfs/dbraw/zinc/07/67/91/343076791.db2.gz YDNBUKTYLJXTTD-ZDUSSCGKSA-N 1 2 239.746 3.122 10 0 BGAELO CC(C)[N@@H+]1CCOC[C@H]1c1cccc(Cl)c1 ZINC000140644221 343076788 /nfs/dbraw/zinc/07/67/88/343076788.db2.gz YDNBUKTYLJXTTD-ZDUSSCGKSA-N 1 2 239.746 3.122 10 0 BGAELO CC1(C)C[NH+]=Cc2cc(Br)ccc21 ZINC000140728281 345856633 /nfs/dbraw/zinc/85/66/33/345856633.db2.gz DNPLPYRHHOYMSC-UHFFFAOYSA-N 1 2 238.128 3.159 10 0 BGAELO Cc1ccc2c(c1)C[N@@H+](C1CCCCC1)CO2 ZINC000141283797 356465203 /nfs/dbraw/zinc/46/52/03/356465203.db2.gz PBRNNDJSLIYUQG-UHFFFAOYSA-N 1 2 231.339 3.480 10 0 BGAELO Cc1ccc2c(c1)C[N@H+](C1CCCCC1)CO2 ZINC000141283797 356465202 /nfs/dbraw/zinc/46/52/02/356465202.db2.gz PBRNNDJSLIYUQG-UHFFFAOYSA-N 1 2 231.339 3.480 10 0 BGAELO CC1(C)Cc2ccccc2[C@@H]1n1cc[nH+]c1 ZINC000141818769 345861835 /nfs/dbraw/zinc/86/18/35/345861835.db2.gz HJLOIUZLAZVCHR-ZDUSSCGKSA-N 1 2 212.296 3.055 10 0 BGAELO CC1(C)Cc2ccccc2[C@H]1n1cc[nH+]c1 ZINC000141819133 345861781 /nfs/dbraw/zinc/86/17/81/345861781.db2.gz HJLOIUZLAZVCHR-CYBMUJFWSA-N 1 2 212.296 3.055 10 0 BGAELO N#C[C@@H]([NH3+])CCCc1ccc(Cl)c(Cl)c1 ZINC000141945674 360380124 /nfs/dbraw/zinc/38/01/24/360380124.db2.gz NOEQZURURYLQDL-VIFPVBQESA-N 1 2 243.137 3.167 10 0 BGAELO N#C[C@H]([NH3+])CCCc1ccc(Cl)c(Cl)c1 ZINC000141945883 384868498 /nfs/dbraw/zinc/86/84/98/384868498.db2.gz NOEQZURURYLQDL-SECBINFHSA-N 1 2 243.137 3.167 10 0 BGAELO Clc1ccc(-c2[nH+]cnc3[nH]ccc32)cc1 ZINC000143431865 345865192 /nfs/dbraw/zinc/86/51/92/345865192.db2.gz JMRUYUQKMRPJMQ-UHFFFAOYSA-N 1 2 229.670 3.278 10 0 BGAELO c1ccc(-c2ccc3c([nH+]2)NCCC3)cc1 ZINC000143642507 345866155 /nfs/dbraw/zinc/86/61/55/345866155.db2.gz RSMIUQUFXFSMOX-UHFFFAOYSA-N 1 2 210.280 3.107 10 0 BGAELO C[C@@H]1C[C@@H](Cc2c[nH+]c[nH]2)Cc2ccccc21 ZINC000143975315 342691686 /nfs/dbraw/zinc/69/16/86/342691686.db2.gz HDVJIHKSIMWDRF-VXGBXAGGSA-N 1 2 226.323 3.318 10 0 BGAELO C[C@@H]1C[C@@H](Cc2c[nH]c[nH+]2)Cc2ccccc21 ZINC000143975315 342691684 /nfs/dbraw/zinc/69/16/84/342691684.db2.gz HDVJIHKSIMWDRF-VXGBXAGGSA-N 1 2 226.323 3.318 10 0 BGAELO C[C@H]1C[C@@H](Cc2c[nH+]c[nH]2)Cc2ccccc21 ZINC000143975516 342691502 /nfs/dbraw/zinc/69/15/02/342691502.db2.gz HDVJIHKSIMWDRF-NWDGAFQWSA-N 1 2 226.323 3.318 10 0 BGAELO C[C@H]1C[C@@H](Cc2c[nH]c[nH+]2)Cc2ccccc21 ZINC000143975516 342691501 /nfs/dbraw/zinc/69/15/01/342691501.db2.gz HDVJIHKSIMWDRF-NWDGAFQWSA-N 1 2 226.323 3.318 10 0 BGAELO C[C@@H]1C[C@H](Cc2c[nH+]c[nH]2)Cc2ccccc21 ZINC000143975704 342691629 /nfs/dbraw/zinc/69/16/29/342691629.db2.gz HDVJIHKSIMWDRF-NEPJUHHUSA-N 1 2 226.323 3.318 10 0 BGAELO C[C@@H]1C[C@H](Cc2c[nH]c[nH+]2)Cc2ccccc21 ZINC000143975704 342691627 /nfs/dbraw/zinc/69/16/27/342691627.db2.gz HDVJIHKSIMWDRF-NEPJUHHUSA-N 1 2 226.323 3.318 10 0 BGAELO C[C@H]1C[C@H](Cc2c[nH+]c[nH]2)Cc2ccccc21 ZINC000143975909 343129274 /nfs/dbraw/zinc/12/92/74/343129274.db2.gz HDVJIHKSIMWDRF-RYUDHWBXSA-N 1 2 226.323 3.318 10 0 BGAELO C[C@H]1C[C@H](Cc2c[nH]c[nH+]2)Cc2ccccc21 ZINC000143975909 343129271 /nfs/dbraw/zinc/12/92/71/343129271.db2.gz HDVJIHKSIMWDRF-RYUDHWBXSA-N 1 2 226.323 3.318 10 0 BGAELO FC1(F)CC(c2[nH]c3ccccc3[nH+]2)C1 ZINC000144275759 360527635 /nfs/dbraw/zinc/52/76/35/360527635.db2.gz MCXRFRMWZBEFGY-UHFFFAOYSA-N 1 2 208.211 3.076 10 0 BGAELO Cc1cc(-c2[nH+]ccn2C)cc(C)c1Cl ZINC000145178002 343147346 /nfs/dbraw/zinc/14/73/46/343147346.db2.gz SPCKOVQIEXFGIQ-UHFFFAOYSA-N 1 2 220.703 3.357 10 0 BGAELO CC1(C)C[NH+]=Cc2c(Br)cccc21 ZINC000145261177 343157643 /nfs/dbraw/zinc/15/76/43/343157643.db2.gz QWWAYFXWJZBGDZ-UHFFFAOYSA-N 1 2 238.128 3.159 10 0 BGAELO CC1(C)C[NH+]=Cc2cccc(Br)c21 ZINC000145268832 345932682 /nfs/dbraw/zinc/93/26/82/345932682.db2.gz YCJWSEZFWCEGDF-UHFFFAOYSA-N 1 2 238.128 3.159 10 0 BGAELO FC(F)(F)COc1cc[nH+]cc1C1(F)CCC1 ZINC000146459930 343297953 /nfs/dbraw/zinc/29/79/53/343297953.db2.gz BRWRPQWRBOIWTK-UHFFFAOYSA-N 1 2 249.207 3.371 10 0 BGAELO CC(C)(C)c1c[nH+]c2c3ccccc3ncn12 ZINC000147884715 347393019 /nfs/dbraw/zinc/39/30/19/347393019.db2.gz WLHOMSFFLTWDRO-UHFFFAOYSA-N 1 2 225.295 3.180 10 0 BGAELO Cc1cn2ccc(CCc3ccccc3)cc2[nH+]1 ZINC000148860973 342792644 /nfs/dbraw/zinc/79/26/44/342792644.db2.gz HOZMNNZTHWFDOS-UHFFFAOYSA-N 1 2 236.318 3.428 10 0 BGAELO CCOC(=O)C1CCC(c2cccc(C)[nH+]2)CC1 ZINC000149618073 343433508 /nfs/dbraw/zinc/43/35/08/343433508.db2.gz BQSHUVMHXQCORE-UHFFFAOYSA-N 1 2 247.338 3.227 10 0 BGAELO Cc1cc2ccccc2[nH+]c1N[C@@H]1CCO[C@@H]1C ZINC000149967252 178299299 /nfs/dbraw/zinc/29/92/99/178299299.db2.gz DLUSOFUWRUWENS-DGCLKSJQSA-N 1 2 242.322 3.133 10 0 BGAELO Cc1cc2ccccc2[nH+]c1N[C@H]1CCO[C@@H]1C ZINC000149967466 178298296 /nfs/dbraw/zinc/29/82/96/178298296.db2.gz DLUSOFUWRUWENS-YPMHNXCESA-N 1 2 242.322 3.133 10 0 BGAELO Cc1cc2ccccc2[nH+]c1N[C@@H]1CCO[C@H]1C ZINC000149967669 178298690 /nfs/dbraw/zinc/29/86/90/178298690.db2.gz DLUSOFUWRUWENS-WCQYABFASA-N 1 2 242.322 3.133 10 0 BGAELO Cc1cc2ccccc2[nH+]c1N[C@H]1CCO[C@H]1C ZINC000149967875 178299347 /nfs/dbraw/zinc/29/93/47/178299347.db2.gz DLUSOFUWRUWENS-AAEUAGOBSA-N 1 2 242.322 3.133 10 0 BGAELO CC[C@@H](C)[NH2+]c1cc(Cl)c(N)cc1C ZINC000158732303 344734542 /nfs/dbraw/zinc/73/45/42/344734542.db2.gz XEZPRDUVWMSXRP-MRVPVSSYSA-N 1 2 212.724 3.441 10 0 BGAELO CC[C@H](C)[NH2+]c1cc(Cl)c(N)cc1C ZINC000158732444 344734663 /nfs/dbraw/zinc/73/46/63/344734663.db2.gz XEZPRDUVWMSXRP-QMMMGPOBSA-N 1 2 212.724 3.441 10 0 BGAELO Cc1nc(C[NH2+][C@H](C)c2cccc(C)c2)oc1C ZINC000160222429 384662665 /nfs/dbraw/zinc/66/26/65/384662665.db2.gz YOJUSBMXSFTAJR-GFCCVEGCSA-N 1 2 244.338 3.451 10 0 BGAELO CC(C)n1cc[nH+]c1CSCCCF ZINC000161922514 384544994 /nfs/dbraw/zinc/54/49/94/384544994.db2.gz XHWLJURQANFLCF-UHFFFAOYSA-N 1 2 216.325 3.057 10 0 BGAELO Cc1ccc(N[C@@H](C)c2cncs2)c[nH+]1 ZINC000162932284 388254671 /nfs/dbraw/zinc/25/46/71/388254671.db2.gz HHWYJHBMVSROEW-VIFPVBQESA-N 1 2 219.313 3.020 10 0 BGAELO Cc1ccc(N[C@H](C)c2cncs2)c[nH+]1 ZINC000162932407 361372293 /nfs/dbraw/zinc/37/22/93/361372293.db2.gz HHWYJHBMVSROEW-SECBINFHSA-N 1 2 219.313 3.020 10 0 BGAELO Cc1[nH+]cccc1N[C@@H](C)c1cscn1 ZINC000162942425 180225774 /nfs/dbraw/zinc/22/57/74/180225774.db2.gz LSAGJESWTDUPFU-VIFPVBQESA-N 1 2 219.313 3.020 10 0 BGAELO Cc1[nH+]cccc1N[C@H](C)c1cscn1 ZINC000162942520 180228108 /nfs/dbraw/zinc/22/81/08/180228108.db2.gz LSAGJESWTDUPFU-SECBINFHSA-N 1 2 219.313 3.020 10 0 BGAELO Cc1[nH+]cccc1N[C@@H](C)c1cncs1 ZINC000162943624 180226155 /nfs/dbraw/zinc/22/61/55/180226155.db2.gz XSHBHKLMGAUWNW-VIFPVBQESA-N 1 2 219.313 3.020 10 0 BGAELO Cc1[nH+]cccc1N[C@H](C)c1cncs1 ZINC000162943742 180227985 /nfs/dbraw/zinc/22/79/85/180227985.db2.gz XSHBHKLMGAUWNW-SECBINFHSA-N 1 2 219.313 3.020 10 0 BGAELO Cc1cc[nH+]cc1N[C@@H](C)CC1CCC1 ZINC000162945135 538925919 /nfs/dbraw/zinc/92/59/19/538925919.db2.gz JMQSZHYTWMCCMQ-NSHDSACASA-N 1 2 204.317 3.381 10 0 BGAELO Cc1cc[nH+]cc1N[C@H](C)CC1CCC1 ZINC000162945248 538925880 /nfs/dbraw/zinc/92/58/80/538925880.db2.gz JMQSZHYTWMCCMQ-LLVKDONJSA-N 1 2 204.317 3.381 10 0 BGAELO Fc1ccc(Cl)cc1[C@@H]1[NH2+]CCCS1 ZINC000163564208 372014337 /nfs/dbraw/zinc/01/43/37/372014337.db2.gz QAPAWSRVPAUMOT-SNVBAGLBSA-N 1 2 231.723 3.204 10 0 BGAELO Fc1ccc(Cl)cc1[C@H]1[NH2+]CCCS1 ZINC000163564321 346566108 /nfs/dbraw/zinc/56/61/08/346566108.db2.gz QAPAWSRVPAUMOT-JTQLQIEISA-N 1 2 231.723 3.204 10 0 BGAELO Cc1ccc(N[C@@H](C)c2cccc(O)c2)c[nH+]1 ZINC000164652023 386175971 /nfs/dbraw/zinc/17/59/71/386175971.db2.gz VQQLEAQRPCAZAB-NSHDSACASA-N 1 2 228.295 3.269 10 0 BGAELO Cc1ccc(N[C@H](C)c2cccc(O)c2)c[nH+]1 ZINC000164652134 386176043 /nfs/dbraw/zinc/17/60/43/386176043.db2.gz VQQLEAQRPCAZAB-LLVKDONJSA-N 1 2 228.295 3.269 10 0 BGAELO CCOC(=[NH2+])c1ccc(C)c(Br)c1 ZINC000164933334 342858880 /nfs/dbraw/zinc/85/88/80/342858880.db2.gz WAYLVGHTTZOZHT-UHFFFAOYSA-N 1 2 242.116 3.119 10 0 BGAELO CCC(O)(CC)Cn1cc[nH+]c1-c1ccccc1 ZINC000165217843 203382513 /nfs/dbraw/zinc/38/25/13/203382513.db2.gz UMNPZPRDOQHDLC-UHFFFAOYSA-N 1 2 244.338 3.101 10 0 BGAELO Cc1cc2c(N)cc(C(F)(F)F)cc2c[nH+]1 ZINC000165344645 178280234 /nfs/dbraw/zinc/28/02/34/178280234.db2.gz AANJTXFDYHKCPL-UHFFFAOYSA-N 1 2 226.201 3.144 10 0 BGAELO CCc1ccc(CCc2ccccc2N)[nH+]c1 ZINC000165424106 343143356 /nfs/dbraw/zinc/14/33/56/343143356.db2.gz VRUIQCDLIULBIX-UHFFFAOYSA-N 1 2 226.323 3.011 10 0 BGAELO C[C@H](Nc1ccc([NH+](C)C)cc1)c1cncs1 ZINC000165512491 385137696 /nfs/dbraw/zinc/13/76/96/385137696.db2.gz XRHMPRLVAIATDP-JTQLQIEISA-N 1 2 247.367 3.382 10 0 BGAELO C[C@@H](Nc1ccc([NH+](C)C)cc1)c1cncs1 ZINC000165512608 385139681 /nfs/dbraw/zinc/13/96/81/385139681.db2.gz XRHMPRLVAIATDP-SNVBAGLBSA-N 1 2 247.367 3.382 10 0 BGAELO CC(C)CCC[N@H+]1CCCc2c(N)cccc21 ZINC000165538735 203385960 /nfs/dbraw/zinc/38/59/60/203385960.db2.gz GSSPCMATIJGMSU-UHFFFAOYSA-N 1 2 232.371 3.458 10 0 BGAELO CC(C)CCC[N@@H+]1CCCc2c(N)cccc21 ZINC000165538735 203385958 /nfs/dbraw/zinc/38/59/58/203385958.db2.gz GSSPCMATIJGMSU-UHFFFAOYSA-N 1 2 232.371 3.458 10 0 BGAELO CC(C)C[C@H]([NH2+][C@H]1CCOC1)c1cccs1 ZINC000167003619 136367987 /nfs/dbraw/zinc/36/79/87/136367987.db2.gz YLKFHXKGKPHYEZ-RYUDHWBXSA-N 1 2 239.384 3.214 10 0 BGAELO CC(C)C[C@@H]([NH2+][C@H]1CCOC1)c1cccs1 ZINC000167003697 136367974 /nfs/dbraw/zinc/36/79/74/136367974.db2.gz YLKFHXKGKPHYEZ-NWDGAFQWSA-N 1 2 239.384 3.214 10 0 BGAELO CC(C)P(Cc1[nH+]ccn1C)C(C)C ZINC000169479327 346761207 /nfs/dbraw/zinc/76/12/07/346761207.db2.gz ILGKQOYBFJIVNB-UHFFFAOYSA-N 1 2 212.277 3.219 10 0 BGAELO CC(C)[PH+](Cc1nccn1C)C(C)C ZINC000169479327 346761205 /nfs/dbraw/zinc/76/12/05/346761205.db2.gz ILGKQOYBFJIVNB-UHFFFAOYSA-N 1 2 212.277 3.219 10 0 BGAELO CC(C)n1cc[nH+]c1CN(C)c1ccccc1F ZINC000170717653 385442299 /nfs/dbraw/zinc/44/22/99/385442299.db2.gz BQVTXRHJJYWONJ-UHFFFAOYSA-N 1 2 247.317 3.240 10 0 BGAELO CCN(Cc1[nH+]ccn1CC)c1ccc(F)cc1 ZINC000171137874 365171813 /nfs/dbraw/zinc/17/18/13/365171813.db2.gz QKRURYQFXMTTQS-UHFFFAOYSA-N 1 2 247.317 3.069 10 0 BGAELO COc1ccc2[nH+]c(N[C@H]3C[C@H]3C)ccc2c1 ZINC000171217849 372503692 /nfs/dbraw/zinc/50/36/92/372503692.db2.gz ZSBHFFNIDVAOAI-RNCFNFMXSA-N 1 2 228.295 3.064 10 0 BGAELO COc1ccc2[nH+]c(N[C@H]3C[C@@H]3C)ccc2c1 ZINC000171217857 372503327 /nfs/dbraw/zinc/50/33/27/372503327.db2.gz ZSBHFFNIDVAOAI-ZANVPECISA-N 1 2 228.295 3.064 10 0 BGAELO COc1ccc2[nH+]c(N[C@@H]3C[C@H]3C)ccc2c1 ZINC000171217865 372503452 /nfs/dbraw/zinc/50/34/52/372503452.db2.gz ZSBHFFNIDVAOAI-NOZJJQNGSA-N 1 2 228.295 3.064 10 0 BGAELO COc1ccc2[nH+]c(N[C@@H]3C[C@@H]3C)ccc2c1 ZINC000171217871 372503735 /nfs/dbraw/zinc/50/37/35/372503735.db2.gz ZSBHFFNIDVAOAI-TVQRCGJNSA-N 1 2 228.295 3.064 10 0 BGAELO CCn1cc[nH+]c1CSCc1ccccc1 ZINC000171351471 365192745 /nfs/dbraw/zinc/19/27/45/365192745.db2.gz RMPFXHSLOPDLIO-UHFFFAOYSA-N 1 2 232.352 3.336 10 0 BGAELO CCN(Cc1[nH+]ccn1CC)c1cccc(F)c1 ZINC000171380169 365194613 /nfs/dbraw/zinc/19/46/13/365194613.db2.gz SVBYDFZDZFNHBX-UHFFFAOYSA-N 1 2 247.317 3.069 10 0 BGAELO c1coc([C@@H]2CCC[N@@H+]2Cc2cscn2)c1 ZINC000172026382 134264381 /nfs/dbraw/zinc/26/43/81/134264381.db2.gz JPMNZLNTTCCPCH-NSHDSACASA-N 1 2 234.324 3.073 10 0 BGAELO c1coc([C@@H]2CCC[N@H+]2Cc2cscn2)c1 ZINC000172026382 134264380 /nfs/dbraw/zinc/26/43/80/134264380.db2.gz JPMNZLNTTCCPCH-NSHDSACASA-N 1 2 234.324 3.073 10 0 BGAELO c1coc([C@H]2CCC[N@@H+]2Cc2cscn2)c1 ZINC000172026390 134264238 /nfs/dbraw/zinc/26/42/38/134264238.db2.gz JPMNZLNTTCCPCH-LLVKDONJSA-N 1 2 234.324 3.073 10 0 BGAELO c1coc([C@H]2CCC[N@H+]2Cc2cscn2)c1 ZINC000172026390 134264237 /nfs/dbraw/zinc/26/42/37/134264237.db2.gz JPMNZLNTTCCPCH-LLVKDONJSA-N 1 2 234.324 3.073 10 0 BGAELO C[C@@H]1COC[C@H](C)[N@@H+]1Cc1ccc(Cl)s1 ZINC000172667221 134267316 /nfs/dbraw/zinc/26/73/16/134267316.db2.gz AKYHSDDBGFMLLK-DTORHVGOSA-N 1 2 245.775 3.011 10 0 BGAELO C[C@@H]1COC[C@H](C)[N@H+]1Cc1ccc(Cl)s1 ZINC000172667221 134267315 /nfs/dbraw/zinc/26/73/15/134267315.db2.gz AKYHSDDBGFMLLK-DTORHVGOSA-N 1 2 245.775 3.011 10 0 BGAELO C[C@H]1COC[C@H](C)[NH+]1Cc1ccc(Cl)s1 ZINC000172667223 134267469 /nfs/dbraw/zinc/26/74/69/134267469.db2.gz AKYHSDDBGFMLLK-IUCAKERBSA-N 1 2 245.775 3.011 10 0 BGAELO C[C@@H]1COC[C@@H](C)[NH+]1Cc1ccc(Cl)s1 ZINC000172667233 134267301 /nfs/dbraw/zinc/26/73/01/134267301.db2.gz AKYHSDDBGFMLLK-RKDXNWHRSA-N 1 2 245.775 3.011 10 0 BGAELO C[C@@H](COCc1ccccc1)Nc1cccc[nH+]1 ZINC000172781478 384523941 /nfs/dbraw/zinc/52/39/41/384523941.db2.gz KPCSZFILUOSZHI-ZDUSSCGKSA-N 1 2 242.322 3.099 10 0 BGAELO C[C@H](COCc1ccccc1)Nc1cccc[nH+]1 ZINC000172781484 384524027 /nfs/dbraw/zinc/52/40/27/384524027.db2.gz KPCSZFILUOSZHI-CYBMUJFWSA-N 1 2 242.322 3.099 10 0 BGAELO CCn1cc[nH+]c1CS[C@@H](C)C(C)C ZINC000172966290 134271356 /nfs/dbraw/zinc/27/13/56/134271356.db2.gz MBXWQSYDIXIUPX-JTQLQIEISA-N 1 2 212.362 3.181 10 0 BGAELO CCn1cc[nH+]c1CS[C@H](C)C(C)C ZINC000172966293 134271360 /nfs/dbraw/zinc/27/13/60/134271360.db2.gz MBXWQSYDIXIUPX-SNVBAGLBSA-N 1 2 212.362 3.181 10 0 BGAELO CCCCSCc1[nH+]ccn1C(C)C ZINC000175286446 346894320 /nfs/dbraw/zinc/89/43/20/346894320.db2.gz INVNCDABVFXIKG-UHFFFAOYSA-N 1 2 212.362 3.497 10 0 BGAELO CCn1cc[nH+]c1CSCCC(C)C ZINC000175290133 388429134 /nfs/dbraw/zinc/42/91/34/388429134.db2.gz JABUBOSLDDSMRB-UHFFFAOYSA-N 1 2 212.362 3.182 10 0 BGAELO CC(C)OCCSCc1[nH+]ccn1C(C)C ZINC000175296661 167250566 /nfs/dbraw/zinc/25/05/66/167250566.db2.gz WHSYIOCZFVIULT-UHFFFAOYSA-N 1 2 242.388 3.122 10 0 BGAELO C/C=C/CSCc1[nH+]ccn1C(C)C ZINC000175297309 188164110 /nfs/dbraw/zinc/16/41/10/188164110.db2.gz AYMXRBMXHHAZQF-SNAWJCMRSA-N 1 2 210.346 3.273 10 0 BGAELO CCCCCSCc1[nH+]ccn1CC ZINC000175299343 346894465 /nfs/dbraw/zinc/89/44/65/346894465.db2.gz ZPPVVJYNCWGAQK-UHFFFAOYSA-N 1 2 212.362 3.326 10 0 BGAELO CCn1cc[nH+]c1CSCCc1ccccc1 ZINC000175312973 384422435 /nfs/dbraw/zinc/42/24/35/384422435.db2.gz GAFQSLOMJWCORX-UHFFFAOYSA-N 1 2 246.379 3.379 10 0 BGAELO CCc1ccc([C@@H](C)[NH2+]Cc2ncc(C)o2)cc1 ZINC000175488898 384918115 /nfs/dbraw/zinc/91/81/15/384918115.db2.gz ISQLMOLBNKPCPP-GFCCVEGCSA-N 1 2 244.338 3.396 10 0 BGAELO CCc1ccc([C@H](C)[NH2+]Cc2ncc(C)o2)cc1 ZINC000175488914 384915884 /nfs/dbraw/zinc/91/58/84/384915884.db2.gz ISQLMOLBNKPCPP-LBPRGKRZSA-N 1 2 244.338 3.396 10 0 BGAELO CC(C)n1cc[nH+]c1CSc1ccccc1O ZINC000177273815 385213269 /nfs/dbraw/zinc/21/32/69/385213269.db2.gz OERSCEGTXJEYFP-UHFFFAOYSA-N 1 2 248.351 3.462 10 0 BGAELO Cc1[nH]ncc1[C@H](C)[NH2+][C@@H](C)c1ccccc1C ZINC000179976941 538956942 /nfs/dbraw/zinc/95/69/42/538956942.db2.gz IMOJYSHAXYMWIL-RYUDHWBXSA-N 1 2 243.354 3.438 10 0 BGAELO Cc1[nH]ncc1[C@@H](C)[NH2+][C@@H](C)c1ccccc1C ZINC000179976973 538956947 /nfs/dbraw/zinc/95/69/47/538956947.db2.gz IMOJYSHAXYMWIL-NWDGAFQWSA-N 1 2 243.354 3.438 10 0 BGAELO Cc1[nH]ncc1[C@@H](C)[NH2+][C@@H](C)c1cccs1 ZINC000179982007 538957035 /nfs/dbraw/zinc/95/70/35/538957035.db2.gz SIOMYCDVDICGHN-SCZZXKLOSA-N 1 2 235.356 3.191 10 0 BGAELO Cc1[nH]ncc1[C@H](C)[NH2+][C@@H](C)c1cccs1 ZINC000179982020 538957007 /nfs/dbraw/zinc/95/70/07/538957007.db2.gz SIOMYCDVDICGHN-WPRPVWTQSA-N 1 2 235.356 3.191 10 0 BGAELO Cc1[nH]ncc1[C@@H](C)[NH2+][C@H](C)c1cccs1 ZINC000179982032 538957002 /nfs/dbraw/zinc/95/70/02/538957002.db2.gz SIOMYCDVDICGHN-PSASIEDQSA-N 1 2 235.356 3.191 10 0 BGAELO Cc1[nH]ncc1[C@H](C)[NH2+][C@H](C)c1cccs1 ZINC000179982043 538956981 /nfs/dbraw/zinc/95/69/81/538956981.db2.gz SIOMYCDVDICGHN-WCBMZHEXSA-N 1 2 235.356 3.191 10 0 BGAELO Cc1cnc(C[N@H+]2CCC[C@@H]2c2ccco2)s1 ZINC000180497837 366484363 /nfs/dbraw/zinc/48/43/63/366484363.db2.gz FCBJMYWTOHBLHC-LLVKDONJSA-N 1 2 248.351 3.382 10 0 BGAELO Cc1cnc(C[N@@H+]2CCC[C@@H]2c2ccco2)s1 ZINC000180497837 366484359 /nfs/dbraw/zinc/48/43/59/366484359.db2.gz FCBJMYWTOHBLHC-LLVKDONJSA-N 1 2 248.351 3.382 10 0 BGAELO Cc1cnc(C[N@H+]2CCC[C@H]2c2ccco2)s1 ZINC000180497856 366484427 /nfs/dbraw/zinc/48/44/27/366484427.db2.gz FCBJMYWTOHBLHC-NSHDSACASA-N 1 2 248.351 3.382 10 0 BGAELO Cc1cnc(C[N@@H+]2CCC[C@H]2c2ccco2)s1 ZINC000180497856 366484423 /nfs/dbraw/zinc/48/44/23/366484423.db2.gz FCBJMYWTOHBLHC-NSHDSACASA-N 1 2 248.351 3.382 10 0 BGAELO CCSCCSCc1[nH+]ccn1C(C)C ZINC000180790174 385547245 /nfs/dbraw/zinc/54/72/45/385547245.db2.gz SHOOHHXPMLRZOU-UHFFFAOYSA-N 1 2 244.429 3.450 10 0 BGAELO Cc1cnc(C[NH2+][C@@H](C)c2ccccc2C)o1 ZINC000181550061 385584311 /nfs/dbraw/zinc/58/43/11/385584311.db2.gz TYVGVRDLWDXGPE-LBPRGKRZSA-N 1 2 230.311 3.142 10 0 BGAELO CCn1cc[nH+]c1CSCC1CCCC1 ZINC000182357299 366891530 /nfs/dbraw/zinc/89/15/30/366891530.db2.gz LVQWUCMCBNOZSI-UHFFFAOYSA-N 1 2 224.373 3.326 10 0 BGAELO CC/C=C/CCSCc1[nH+]ccn1CC ZINC000185567276 388588790 /nfs/dbraw/zinc/58/87/90/388588790.db2.gz VGUBBSGWLJOYNE-AATRIKPKSA-N 1 2 224.373 3.493 10 0 BGAELO CC(C)n1cc[nH+]c1CSc1cccc(O)c1 ZINC000185678716 384758577 /nfs/dbraw/zinc/75/85/77/384758577.db2.gz AHJFQITZJZJHDS-UHFFFAOYSA-N 1 2 248.351 3.462 10 0 BGAELO Cc1cc[nH+]cc1N[C@@H](C)CCC1CC1 ZINC000186468673 206012637 /nfs/dbraw/zinc/01/26/37/206012637.db2.gz AJTNRICTKCHHTN-NSHDSACASA-N 1 2 204.317 3.381 10 0 BGAELO Cc1cc[nH+]cc1N[C@H](C)CCC1CC1 ZINC000186468689 385763502 /nfs/dbraw/zinc/76/35/02/385763502.db2.gz AJTNRICTKCHHTN-LLVKDONJSA-N 1 2 204.317 3.381 10 0 BGAELO Cc1cc[nH+]cc1N[C@@H](C)C1CCSCC1 ZINC000187475792 386554635 /nfs/dbraw/zinc/55/46/35/386554635.db2.gz PZMWKRGIDFWHJW-NSHDSACASA-N 1 2 236.384 3.334 10 0 BGAELO Cc1cc[nH+]cc1N[C@H](C)C1CCSCC1 ZINC000187475806 386554844 /nfs/dbraw/zinc/55/48/44/386554844.db2.gz PZMWKRGIDFWHJW-LLVKDONJSA-N 1 2 236.384 3.334 10 0 BGAELO Cc1coc(SCc2[nH+]ccn2C(C)C)n1 ZINC000188363919 385044815 /nfs/dbraw/zinc/04/48/15/385044815.db2.gz VCZDDOIWAVPTJW-UHFFFAOYSA-N 1 2 237.328 3.053 10 0 BGAELO Cc1ccc([C@@H]2CCCC[N@H+]2Cc2cocn2)o1 ZINC000191943690 386718753 /nfs/dbraw/zinc/71/87/53/386718753.db2.gz CLYRUFDZNWJSOB-ZDUSSCGKSA-N 1 2 246.310 3.303 10 0 BGAELO Cc1ccc([C@@H]2CCCC[N@@H+]2Cc2cocn2)o1 ZINC000191943690 386718746 /nfs/dbraw/zinc/71/87/46/386718746.db2.gz CLYRUFDZNWJSOB-ZDUSSCGKSA-N 1 2 246.310 3.303 10 0 BGAELO Cc1ccc([C@H]2CCCC[N@H+]2Cc2cocn2)o1 ZINC000191943695 386719499 /nfs/dbraw/zinc/71/94/99/386719499.db2.gz CLYRUFDZNWJSOB-CYBMUJFWSA-N 1 2 246.310 3.303 10 0 BGAELO Cc1ccc([C@H]2CCCC[N@@H+]2Cc2cocn2)o1 ZINC000191943695 386719489 /nfs/dbraw/zinc/71/94/89/386719489.db2.gz CLYRUFDZNWJSOB-CYBMUJFWSA-N 1 2 246.310 3.303 10 0 BGAELO C[C@H]1C[NH+](Cc2cc(Cl)cs2)C[C@H](C)O1 ZINC000194293573 177261136 /nfs/dbraw/zinc/26/11/36/177261136.db2.gz MXYXBFUNOYQMNK-IUCAKERBSA-N 1 2 245.775 3.011 10 0 BGAELO C[C@@H]1C[NH+](Cc2cc(Cl)cs2)C[C@@H](C)O1 ZINC000194293587 176301640 /nfs/dbraw/zinc/30/16/40/176301640.db2.gz MXYXBFUNOYQMNK-RKDXNWHRSA-N 1 2 245.775 3.011 10 0 BGAELO C[C@@H]1COC[C@H](C)[N@@H+]1Cc1sccc1Cl ZINC000194410174 177299065 /nfs/dbraw/zinc/29/90/65/177299065.db2.gz WAUBEDLDTQGOOZ-DTORHVGOSA-N 1 2 245.775 3.011 10 0 BGAELO C[C@@H]1COC[C@H](C)[N@H+]1Cc1sccc1Cl ZINC000194410174 177299064 /nfs/dbraw/zinc/29/90/64/177299064.db2.gz WAUBEDLDTQGOOZ-DTORHVGOSA-N 1 2 245.775 3.011 10 0 BGAELO C[C@H]1COC[C@H](C)[NH+]1Cc1sccc1Cl ZINC000194410185 177300551 /nfs/dbraw/zinc/30/05/51/177300551.db2.gz WAUBEDLDTQGOOZ-IUCAKERBSA-N 1 2 245.775 3.011 10 0 BGAELO C[C@@H]1COC[C@@H](C)[NH+]1Cc1sccc1Cl ZINC000194410198 176347146 /nfs/dbraw/zinc/34/71/46/176347146.db2.gz WAUBEDLDTQGOOZ-RKDXNWHRSA-N 1 2 245.775 3.011 10 0 BGAELO CCC(CC)SCc1[nH+]ccn1CC ZINC000195185920 387907955 /nfs/dbraw/zinc/90/79/55/387907955.db2.gz FEOQGBCNRYSDKK-UHFFFAOYSA-N 1 2 212.362 3.325 10 0 BGAELO Cl/C=C/C[N@H+]1CCCC[C@H]1c1nccs1 ZINC000195439433 387916351 /nfs/dbraw/zinc/91/63/51/387916351.db2.gz OCIWNPIRWYSEKN-GFAPAMAISA-N 1 2 242.775 3.423 10 0 BGAELO Cl/C=C/C[N@@H+]1CCCC[C@H]1c1nccs1 ZINC000195439433 387916346 /nfs/dbraw/zinc/91/63/46/387916346.db2.gz OCIWNPIRWYSEKN-GFAPAMAISA-N 1 2 242.775 3.423 10 0 BGAELO Cl/C=C/C[N@H+]1CCCC[C@@H]1c1nccs1 ZINC000195439438 387915715 /nfs/dbraw/zinc/91/57/15/387915715.db2.gz OCIWNPIRWYSEKN-RXNUUUNCSA-N 1 2 242.775 3.423 10 0 BGAELO Cl/C=C/C[N@@H+]1CCCC[C@@H]1c1nccs1 ZINC000195439438 387915712 /nfs/dbraw/zinc/91/57/12/387915712.db2.gz OCIWNPIRWYSEKN-RXNUUUNCSA-N 1 2 242.775 3.423 10 0 BGAELO CCn1cc[nH+]c1CSc1ccccc1 ZINC000195516692 387923509 /nfs/dbraw/zinc/92/35/09/387923509.db2.gz AMPKSWIQASBBLM-UHFFFAOYSA-N 1 2 218.325 3.195 10 0 BGAELO CCn1cc[nH+]c1CSC1CCCC1 ZINC000195516797 387923575 /nfs/dbraw/zinc/92/35/75/387923575.db2.gz CQZUOSFVPLIVLG-UHFFFAOYSA-N 1 2 210.346 3.079 10 0 BGAELO COc1ccc(-c2[nH]cc(C(C)C)[nH+]2)cc1 ZINC000196188518 347818593 /nfs/dbraw/zinc/81/85/93/347818593.db2.gz JYZCTADFLNTNDQ-UHFFFAOYSA-N 1 2 216.284 3.209 10 0 BGAELO COc1ccc(-c2[nH]cc(C(C)(C)C)[nH+]2)cc1 ZINC000196188547 343629355 /nfs/dbraw/zinc/62/93/55/343629355.db2.gz YECPOLRQGDAHCW-UHFFFAOYSA-N 1 2 230.311 3.383 10 0 BGAELO Cc1cn2cc(CCc3ccccc3)ccc2[nH+]1 ZINC000196267199 411138247 /nfs/dbraw/zinc/13/82/47/411138247.db2.gz WGIQOXJAQBDKLO-UHFFFAOYSA-N 1 2 236.318 3.428 10 0 BGAELO c1ccc(CC[N@H+]2C[C@@H]2c2ccccc2)cc1 ZINC000196336096 347868601 /nfs/dbraw/zinc/86/86/01/347868601.db2.gz ZTSNYHQXLQARLW-TZHYSIJRSA-N 1 2 223.319 3.286 10 0 BGAELO c1ccc(CC[N@@H+]2C[C@@H]2c2ccccc2)cc1 ZINC000196336096 347868600 /nfs/dbraw/zinc/86/86/00/347868600.db2.gz ZTSNYHQXLQARLW-TZHYSIJRSA-N 1 2 223.319 3.286 10 0 BGAELO c1ccc(CC[N@H+]2C[C@H]2c2ccccc2)cc1 ZINC000196336110 347868745 /nfs/dbraw/zinc/86/87/45/347868745.db2.gz ZTSNYHQXLQARLW-BHWOMJMDSA-N 1 2 223.319 3.286 10 0 BGAELO c1ccc(CC[N@@H+]2C[C@H]2c2ccccc2)cc1 ZINC000196336110 347868743 /nfs/dbraw/zinc/86/87/43/347868743.db2.gz ZTSNYHQXLQARLW-BHWOMJMDSA-N 1 2 223.319 3.286 10 0 BGAELO C[C@@H]1C[NH+]=C(c2ccncc2)c2ccccc21 ZINC000196366641 176324561 /nfs/dbraw/zinc/32/45/61/176324561.db2.gz SBLRJKQEJDVVSH-LLVKDONJSA-N 1 2 222.291 3.036 10 0 BGAELO C[C@H]1C[NH+]=C(c2ccncc2)c2ccccc21 ZINC000196366652 177281465 /nfs/dbraw/zinc/28/14/65/177281465.db2.gz SBLRJKQEJDVVSH-NSHDSACASA-N 1 2 222.291 3.036 10 0 BGAELO CCOC(=[NH2+])Cc1ccc2ccccc2c1O ZINC000196864400 343636116 /nfs/dbraw/zinc/63/61/16/343636116.db2.gz GUJZXSWVYDOQES-UHFFFAOYSA-N 1 2 229.279 3.102 10 0 BGAELO CCOC(=[NH2+])Cc1c(O)ccc2ccccc21 ZINC000196864422 348039619 /nfs/dbraw/zinc/03/96/19/348039619.db2.gz HWTLBVPSKDJDDR-UHFFFAOYSA-N 1 2 229.279 3.102 10 0 BGAELO Clc1ccc(-c2c[nH]c[nH+]2)cc1Cl ZINC000198686985 385558037 /nfs/dbraw/zinc/55/80/37/385558037.db2.gz DDQLYDRGTMKLDJ-UHFFFAOYSA-N 1 2 213.067 3.384 10 0 BGAELO Clc1ccc(Cl)c(-c2c[nH]c[nH+]2)c1 ZINC000198691383 385557859 /nfs/dbraw/zinc/55/78/59/385557859.db2.gz LCLUSPLHOKXHGN-UHFFFAOYSA-N 1 2 213.067 3.384 10 0 BGAELO COC(=O)c1cccc(-c2cc(C)[nH+]c(C)c2)c1 ZINC000204871141 343598521 /nfs/dbraw/zinc/59/85/21/343598521.db2.gz MOROTUNSYIQVSH-UHFFFAOYSA-N 1 2 241.290 3.152 10 0 BGAELO CC[NH+]=C1Nc2ccccc2[C@H](C)S1 ZINC000205275875 170108697 /nfs/dbraw/zinc/10/86/97/170108697.db2.gz ATLXNSGAKLDEIG-QMMMGPOBSA-N 1 2 206.314 3.091 10 0 BGAELO CC[NH+]=C1Nc2ccccc2[C@@H](C)S1 ZINC000205275892 170108479 /nfs/dbraw/zinc/10/84/79/170108479.db2.gz ATLXNSGAKLDEIG-MRVPVSSYSA-N 1 2 206.314 3.091 10 0 BGAELO C=C(c1c(C)c(C)cc(Cl)c1O)n1cc[nH+]c1 ZINC000215924602 342695961 /nfs/dbraw/zinc/69/59/61/342695961.db2.gz IYPJCNKDGHYDRP-UHFFFAOYSA-N 1 2 248.713 3.378 10 0 BGAELO Cc1[nH]cc(-c2cccc(Br)c2)[nH+]1 ZINC000217466917 343278777 /nfs/dbraw/zinc/27/87/77/343278777.db2.gz IBHXMHNEMIMRFE-UHFFFAOYSA-N 1 2 237.100 3.148 10 0 BGAELO COc1ccc([NH2+]CC=C(C)C)c(OC)c1 ZINC000219065334 175150886 /nfs/dbraw/zinc/15/08/86/175150886.db2.gz HPHLMJWVLUJZOY-UHFFFAOYSA-N 1 2 221.300 3.082 10 0 BGAELO FC1(F)CCC[NH2+][C@@H]1c1ccc(Cl)cc1 ZINC000220580604 344555288 /nfs/dbraw/zinc/55/52/88/344555288.db2.gz NFMUIDLLWAFTPQ-SNVBAGLBSA-N 1 2 231.673 3.400 10 0 BGAELO FC1(F)CCC[NH2+][C@H]1c1ccc(Cl)cc1 ZINC000220580667 344555255 /nfs/dbraw/zinc/55/52/55/344555255.db2.gz NFMUIDLLWAFTPQ-JTQLQIEISA-N 1 2 231.673 3.400 10 0 BGAELO FC1(F)CCC[NH2+][C@@H]1c1cccc(Cl)c1 ZINC000220580770 344555683 /nfs/dbraw/zinc/55/56/83/344555683.db2.gz JHSMKYOYXXXEPZ-SNVBAGLBSA-N 1 2 231.673 3.400 10 0 BGAELO FC1(F)CCC[NH2+][C@H]1c1cccc(Cl)c1 ZINC000220580834 344555577 /nfs/dbraw/zinc/55/55/77/344555577.db2.gz JHSMKYOYXXXEPZ-JTQLQIEISA-N 1 2 231.673 3.400 10 0 BGAELO Cc1cnc([C@@H](C)[NH2+]Cc2ccc(C)cc2)o1 ZINC000220883964 134316472 /nfs/dbraw/zinc/31/64/72/134316472.db2.gz ITTDQCVFNWKTKV-GFCCVEGCSA-N 1 2 230.311 3.142 10 0 BGAELO Cc1cnc([C@H](C)[NH2+]Cc2ccc(C)cc2)o1 ZINC000220884012 134316810 /nfs/dbraw/zinc/31/68/10/134316810.db2.gz ITTDQCVFNWKTKV-LBPRGKRZSA-N 1 2 230.311 3.142 10 0 BGAELO Cc1cnc([C@@H](C)[NH2+][C@@H](C)c2cccs2)o1 ZINC000220890960 134313419 /nfs/dbraw/zinc/31/34/19/134313419.db2.gz FGGXFJAPARUNGP-VHSXEESVSA-N 1 2 236.340 3.456 10 0 BGAELO Cc1cnc([C@H](C)[NH2+][C@@H](C)c2cccs2)o1 ZINC000220891016 134313228 /nfs/dbraw/zinc/31/32/28/134313228.db2.gz FGGXFJAPARUNGP-UWVGGRQHSA-N 1 2 236.340 3.456 10 0 BGAELO Cc1cnc([C@@H](C)[NH2+][C@H](C)c2cccs2)o1 ZINC000220891069 134313328 /nfs/dbraw/zinc/31/33/28/134313328.db2.gz FGGXFJAPARUNGP-NXEZZACHSA-N 1 2 236.340 3.456 10 0 BGAELO Cc1cnc([C@H](C)[NH2+][C@H](C)c2cccs2)o1 ZINC000220891129 134313396 /nfs/dbraw/zinc/31/33/96/134313396.db2.gz FGGXFJAPARUNGP-ZJUUUORDSA-N 1 2 236.340 3.456 10 0 BGAELO Cc1cnc([C@@H](C)[NH2+]Cc2ccccc2C)o1 ZINC000220893537 134313385 /nfs/dbraw/zinc/31/33/85/134313385.db2.gz MLESBWHEPQRYDT-GFCCVEGCSA-N 1 2 230.311 3.142 10 0 BGAELO Cc1cnc([C@H](C)[NH2+]Cc2ccccc2C)o1 ZINC000220893593 134313195 /nfs/dbraw/zinc/31/31/95/134313195.db2.gz MLESBWHEPQRYDT-LBPRGKRZSA-N 1 2 230.311 3.142 10 0 BGAELO Cc1cnc([C@@H](C)[NH2+]Cc2ccc(C)c(F)c2)o1 ZINC000220898832 134313140 /nfs/dbraw/zinc/31/31/40/134313140.db2.gz UAGJEGCAUAAXBT-LLVKDONJSA-N 1 2 248.301 3.281 10 0 BGAELO Cc1cnc([C@H](C)[NH2+]Cc2ccc(C)c(F)c2)o1 ZINC000220898890 134313044 /nfs/dbraw/zinc/31/30/44/134313044.db2.gz UAGJEGCAUAAXBT-NSHDSACASA-N 1 2 248.301 3.281 10 0 BGAELO Cc1cnc([C@@H](C)[NH2+]Cc2ccc(F)c(C)c2)o1 ZINC000220900278 134314500 /nfs/dbraw/zinc/31/45/00/134314500.db2.gz JBKNWIBOOBSJFM-LLVKDONJSA-N 1 2 248.301 3.281 10 0 BGAELO Cc1cnc([C@H](C)[NH2+]Cc2ccc(F)c(C)c2)o1 ZINC000220900341 134315337 /nfs/dbraw/zinc/31/53/37/134315337.db2.gz JBKNWIBOOBSJFM-NSHDSACASA-N 1 2 248.301 3.281 10 0 BGAELO Cc1cnc([C@@H](C)[NH2+]Cc2cccc(C)c2)o1 ZINC000220901794 134315299 /nfs/dbraw/zinc/31/52/99/134315299.db2.gz KLQNJDMFNCSWTN-GFCCVEGCSA-N 1 2 230.311 3.142 10 0 BGAELO Cc1cnc([C@H](C)[NH2+]Cc2cccc(C)c2)o1 ZINC000220901857 134315325 /nfs/dbraw/zinc/31/53/25/134315325.db2.gz KLQNJDMFNCSWTN-LBPRGKRZSA-N 1 2 230.311 3.142 10 0 BGAELO Cc1cnc([C@@H](C)[NH2+]Cc2ccc(C)s2)o1 ZINC000220909329 134315161 /nfs/dbraw/zinc/31/51/61/134315161.db2.gz TWDVLIDZQSDHKR-SNVBAGLBSA-N 1 2 236.340 3.204 10 0 BGAELO Cc1cnc([C@H](C)[NH2+]Cc2ccc(C)s2)o1 ZINC000220909390 134314800 /nfs/dbraw/zinc/31/48/00/134314800.db2.gz TWDVLIDZQSDHKR-JTQLQIEISA-N 1 2 236.340 3.204 10 0 BGAELO Cc1cnc([C@@H](C)[NH2+]Cc2ccc(C)cc2C)o1 ZINC000220911358 134314981 /nfs/dbraw/zinc/31/49/81/134314981.db2.gz SCBRVHBDVAFPBR-CYBMUJFWSA-N 1 2 244.338 3.451 10 0 BGAELO Cc1cnc([C@H](C)[NH2+]Cc2ccc(C)cc2C)o1 ZINC000220911426 134315167 /nfs/dbraw/zinc/31/51/67/134315167.db2.gz SCBRVHBDVAFPBR-ZDUSSCGKSA-N 1 2 244.338 3.451 10 0 BGAELO CCc1ccc(C[NH2+][C@@H](C)c2ncc(C)o2)cc1 ZINC000220926332 134314862 /nfs/dbraw/zinc/31/48/62/134314862.db2.gz HXTCIKNUBWOWPX-LBPRGKRZSA-N 1 2 244.338 3.396 10 0 BGAELO CCc1ccc(C[NH2+][C@H](C)c2ncc(C)o2)cc1 ZINC000220926395 134315203 /nfs/dbraw/zinc/31/52/03/134315203.db2.gz HXTCIKNUBWOWPX-GFCCVEGCSA-N 1 2 244.338 3.396 10 0 BGAELO CCc1ccccc1C[NH2+][C@@H](C)c1ncc(C)o1 ZINC000220944771 535940520 /nfs/dbraw/zinc/94/05/20/535940520.db2.gz YIZFXQRMMFZVNS-LBPRGKRZSA-N 1 2 244.338 3.396 10 0 BGAELO CCc1ccccc1C[NH2+][C@H](C)c1ncc(C)o1 ZINC000220944817 134315013 /nfs/dbraw/zinc/31/50/13/134315013.db2.gz YIZFXQRMMFZVNS-GFCCVEGCSA-N 1 2 244.338 3.396 10 0 BGAELO CCc1cnc(C[NH2+][C@@H](C)c2ccccc2C)o1 ZINC000223597301 491137670 /nfs/dbraw/zinc/13/76/70/491137670.db2.gz SCWRDXPZCOPHRF-LBPRGKRZSA-N 1 2 244.338 3.396 10 0 BGAELO Cc1cnc(C[NH2+][C@@H](C)c2ccc(C)cc2C)o1 ZINC000223643222 386092558 /nfs/dbraw/zinc/09/25/58/386092558.db2.gz BDRYKARTJJCEQL-ZDUSSCGKSA-N 1 2 244.338 3.451 10 0 BGAELO Cc1cnc(C[NH2+][C@H](C)c2ccc(C)cc2C)o1 ZINC000223643276 178845273 /nfs/dbraw/zinc/84/52/73/178845273.db2.gz BDRYKARTJJCEQL-CYBMUJFWSA-N 1 2 244.338 3.451 10 0 BGAELO Cc1cnc(C[NH2+][C@@H](C)c2ccc(C)c(C)c2)o1 ZINC000223649774 386092132 /nfs/dbraw/zinc/09/21/32/386092132.db2.gz SPLCFEAHUXMZDC-ZDUSSCGKSA-N 1 2 244.338 3.451 10 0 BGAELO Cc1cnc(C[NH2+][C@H](C)c2ccc(C)c(C)c2)o1 ZINC000223649819 386092197 /nfs/dbraw/zinc/09/21/97/386092197.db2.gz SPLCFEAHUXMZDC-CYBMUJFWSA-N 1 2 244.338 3.451 10 0 BGAELO CCOC(=[NH2+])Cc1ccc2cc(OC)ccc2c1 ZINC000225717241 368367801 /nfs/dbraw/zinc/36/78/01/368367801.db2.gz RDFHDNBVISLZLI-UHFFFAOYSA-N 1 2 243.306 3.405 10 0 BGAELO CCOC(=[NH2+])Cc1ccc2cc(O)ccc2c1 ZINC000225717467 358332310 /nfs/dbraw/zinc/33/23/10/358332310.db2.gz PNCGKZJXOJFOCW-UHFFFAOYSA-N 1 2 229.279 3.102 10 0 BGAELO Cc1c[nH+]cc(N[C@@H]2CCc3ccccc32)c1 ZINC000225853589 134356014 /nfs/dbraw/zinc/35/60/14/134356014.db2.gz BHBFSEMJWJFDLM-OAHLLOKOSA-N 1 2 224.307 3.489 10 0 BGAELO Cc1c[nH+]cc(N[C@H]2CCc3ccccc32)c1 ZINC000225853605 134356249 /nfs/dbraw/zinc/35/62/49/134356249.db2.gz BHBFSEMJWJFDLM-HNNXBMFYSA-N 1 2 224.307 3.489 10 0 BGAELO c1[nH]cc([C@H]2C=C3CCCC[C@H]3CC2)[nH+]1 ZINC000225953161 385634329 /nfs/dbraw/zinc/63/43/29/385634329.db2.gz CUJYXBDKBVNGET-CMPLNLGQSA-N 1 2 202.301 3.404 10 0 BGAELO c1[nH]c([C@H]2C=C3CCCC[C@H]3CC2)c[nH+]1 ZINC000225953161 385634321 /nfs/dbraw/zinc/63/43/21/385634321.db2.gz CUJYXBDKBVNGET-CMPLNLGQSA-N 1 2 202.301 3.404 10 0 BGAELO c1[nH]cc([C@@H]2C=C3CCCC[C@H]3CC2)[nH+]1 ZINC000225953171 350391825 /nfs/dbraw/zinc/39/18/25/350391825.db2.gz CUJYXBDKBVNGET-JQWIXIFHSA-N 1 2 202.301 3.404 10 0 BGAELO c1[nH]c([C@@H]2C=C3CCCC[C@H]3CC2)c[nH+]1 ZINC000225953171 350391823 /nfs/dbraw/zinc/39/18/23/350391823.db2.gz CUJYXBDKBVNGET-JQWIXIFHSA-N 1 2 202.301 3.404 10 0 BGAELO c1[nH]cc([C@H]2C=C3CCCC[C@@H]3CC2)[nH+]1 ZINC000225953177 385634790 /nfs/dbraw/zinc/63/47/90/385634790.db2.gz CUJYXBDKBVNGET-ZYHUDNBSSA-N 1 2 202.301 3.404 10 0 BGAELO c1[nH]c([C@H]2C=C3CCCC[C@@H]3CC2)c[nH+]1 ZINC000225953177 385634789 /nfs/dbraw/zinc/63/47/89/385634789.db2.gz CUJYXBDKBVNGET-ZYHUDNBSSA-N 1 2 202.301 3.404 10 0 BGAELO c1[nH]cc([C@@H]2C=C3CCCC[C@@H]3CC2)[nH+]1 ZINC000225953188 385634511 /nfs/dbraw/zinc/63/45/11/385634511.db2.gz CUJYXBDKBVNGET-PWSUYJOCSA-N 1 2 202.301 3.404 10 0 BGAELO c1[nH]c([C@@H]2C=C3CCCC[C@@H]3CC2)c[nH+]1 ZINC000225953188 385634504 /nfs/dbraw/zinc/63/45/04/385634504.db2.gz CUJYXBDKBVNGET-PWSUYJOCSA-N 1 2 202.301 3.404 10 0 BGAELO c1ccn(-c2ccccc2[NH+]2CCCC2)c1 ZINC000226245948 183385931 /nfs/dbraw/zinc/38/59/31/183385931.db2.gz KOEQJJQDAKILPH-UHFFFAOYSA-N 1 2 212.296 3.078 10 0 BGAELO Clc1cccc2[nH+]c3n(c21)CCCC3 ZINC000226251410 387947320 /nfs/dbraw/zinc/94/73/20/387947320.db2.gz INANVVHHMGSSOH-UHFFFAOYSA-N 1 2 206.676 3.026 10 0 BGAELO C[C@@H]1CCn2c([nH+]c3cccc(Cl)c32)C1 ZINC000226251512 176241542 /nfs/dbraw/zinc/24/15/42/176241542.db2.gz MLNSNBCDASXGPX-MRVPVSSYSA-N 1 2 220.703 3.272 10 0 BGAELO C[C@H]1CCn2c([nH+]c3cccc(Cl)c32)C1 ZINC000226251523 177210971 /nfs/dbraw/zinc/21/09/71/177210971.db2.gz MLNSNBCDASXGPX-QMMMGPOBSA-N 1 2 220.703 3.272 10 0 BGAELO Cc1ccc2c(c1)[nH+]c1n2[C@@H](C)CCC1 ZINC000226251611 387277877 /nfs/dbraw/zinc/27/78/77/387277877.db2.gz ORGJHXZHGIJFRK-JTQLQIEISA-N 1 2 200.285 3.242 10 0 BGAELO Cc1ccc2c(c1)[nH+]c1n2[C@H](C)CCC1 ZINC000226251620 388712801 /nfs/dbraw/zinc/71/28/01/388712801.db2.gz ORGJHXZHGIJFRK-SNVBAGLBSA-N 1 2 200.285 3.242 10 0 BGAELO C[NH2+]c1ccc(N2CCCCC2)c(Cl)c1 ZINC000226275451 388713974 /nfs/dbraw/zinc/71/39/74/388713974.db2.gz FTAZJEGXSQZGSU-UHFFFAOYSA-N 1 2 224.735 3.372 10 0 BGAELO CC[NH2+]c1ccc(N2CCCCC2)c(F)c1 ZINC000226285000 535525070 /nfs/dbraw/zinc/52/50/70/535525070.db2.gz RTJUFAZUBAAQGZ-UHFFFAOYSA-N 1 2 222.307 3.248 10 0 BGAELO CC[NH2+]c1ccc(N2CCCC2)c(Cl)c1 ZINC000226285143 170174480 /nfs/dbraw/zinc/17/44/80/170174480.db2.gz CBWKJQVSOUATBM-UHFFFAOYSA-N 1 2 224.735 3.372 10 0 BGAELO CCc1cc(N)ccc1[NH2+]C1CCCC1 ZINC000226317140 384972894 /nfs/dbraw/zinc/97/28/94/384972894.db2.gz MXGYJVFCVWKKNF-UHFFFAOYSA-N 1 2 204.317 3.186 10 0 BGAELO Clc1cc(Cl)c(-n2cc[nH+]c2)nc1Cl ZINC000226516690 371686968 /nfs/dbraw/zinc/68/69/68/371686968.db2.gz IVJYKYSDCOJHNH-UHFFFAOYSA-N 1 2 248.500 3.228 10 0 BGAELO [NH3+][C@@H](c1cccc(Cl)c1Cl)C(F)F ZINC000226550043 371694846 /nfs/dbraw/zinc/69/48/46/371694846.db2.gz MRQAWVRDQZCRSK-ZETCQYMHSA-N 1 2 226.053 3.258 10 0 BGAELO [NH3+][C@H](c1cccc(Cl)c1Cl)C(F)F ZINC000226550049 371694923 /nfs/dbraw/zinc/69/49/23/371694923.db2.gz MRQAWVRDQZCRSK-SSDOTTSWSA-N 1 2 226.053 3.258 10 0 BGAELO [NH3+][C@@H](c1cc(Cl)ccc1Cl)C(F)F ZINC000226553534 371696775 /nfs/dbraw/zinc/69/67/75/371696775.db2.gz JCAZEZFSKFNOFV-ZETCQYMHSA-N 1 2 226.053 3.258 10 0 BGAELO [NH3+][C@H](c1cc(Cl)ccc1Cl)C(F)F ZINC000226553540 371697184 /nfs/dbraw/zinc/69/71/84/371697184.db2.gz JCAZEZFSKFNOFV-SSDOTTSWSA-N 1 2 226.053 3.258 10 0 BGAELO CC[C@@H]1C[C@@H]1Nc1cc(C(F)(F)F)cc[nH+]1 ZINC000226801133 171122855 /nfs/dbraw/zinc/12/28/55/171122855.db2.gz KFBLLKIUYAUSGG-APPZFPTMSA-N 1 2 230.233 3.311 10 0 BGAELO CC[C@H]1C[C@@H]1Nc1cc(C(F)(F)F)cc[nH+]1 ZINC000226801140 385055871 /nfs/dbraw/zinc/05/58/71/385055871.db2.gz KFBLLKIUYAUSGG-CBAPKCEASA-N 1 2 230.233 3.311 10 0 BGAELO CC[C@@H]1C[C@H]1Nc1cc(C(F)(F)F)cc[nH+]1 ZINC000226801151 171141580 /nfs/dbraw/zinc/14/15/80/171141580.db2.gz KFBLLKIUYAUSGG-VXNVDRBHSA-N 1 2 230.233 3.311 10 0 BGAELO CC[C@H]1C[C@H]1Nc1cc(C(F)(F)F)cc[nH+]1 ZINC000226801161 385054016 /nfs/dbraw/zinc/05/40/16/385054016.db2.gz KFBLLKIUYAUSGG-IONNQARKSA-N 1 2 230.233 3.311 10 0 BGAELO Cc1cnc([C@@H](C)[NH2+]Cc2cc(F)ccc2C)o1 ZINC000227555470 134383462 /nfs/dbraw/zinc/38/34/62/134383462.db2.gz JUBNECKBYBNSKX-LLVKDONJSA-N 1 2 248.301 3.281 10 0 BGAELO Cc1cnc([C@H](C)[NH2+]Cc2cc(F)ccc2C)o1 ZINC000227555475 134383499 /nfs/dbraw/zinc/38/34/99/134383499.db2.gz JUBNECKBYBNSKX-NSHDSACASA-N 1 2 248.301 3.281 10 0 BGAELO Cc1cnc([C@@H](C)[NH2+]Cc2ccc(F)cc2C)o1 ZINC000227555896 134383413 /nfs/dbraw/zinc/38/34/13/134383413.db2.gz CNSLTDVIGCFGDR-LLVKDONJSA-N 1 2 248.301 3.281 10 0 BGAELO Cc1cnc([C@H](C)[NH2+]Cc2ccc(F)cc2C)o1 ZINC000227555900 134383388 /nfs/dbraw/zinc/38/33/88/134383388.db2.gz CNSLTDVIGCFGDR-NSHDSACASA-N 1 2 248.301 3.281 10 0 BGAELO Cc1cnc([C@@H](C)[NH2+]Cc2cc(C)cc(C)c2)o1 ZINC000227556283 134383144 /nfs/dbraw/zinc/38/31/44/134383144.db2.gz FTLSVRPOVBORKH-CYBMUJFWSA-N 1 2 244.338 3.451 10 0 BGAELO Cc1cnc([C@H](C)[NH2+]Cc2cc(C)cc(C)c2)o1 ZINC000227556291 134383443 /nfs/dbraw/zinc/38/34/43/134383443.db2.gz FTLSVRPOVBORKH-ZDUSSCGKSA-N 1 2 244.338 3.451 10 0 BGAELO Cc1cnc([C@@H](C)[NH2+]Cc2cccc(C)c2C)o1 ZINC000227556425 134383106 /nfs/dbraw/zinc/38/31/06/134383106.db2.gz XQFOYMKPDSBRHG-CYBMUJFWSA-N 1 2 244.338 3.451 10 0 BGAELO Cc1cnc([C@H](C)[NH2+]Cc2cccc(C)c2C)o1 ZINC000227556432 134383511 /nfs/dbraw/zinc/38/35/11/134383511.db2.gz XQFOYMKPDSBRHG-ZDUSSCGKSA-N 1 2 244.338 3.451 10 0 BGAELO CNc1cc(Sc2cccs2)cc[nH+]1 ZINC000227673178 371920252 /nfs/dbraw/zinc/92/02/52/371920252.db2.gz REBLRYZYNDNNNI-UHFFFAOYSA-N 1 2 222.338 3.336 10 0 BGAELO CCNc1cc(SC(C)(C)C)cc[nH+]1 ZINC000227673284 371919613 /nfs/dbraw/zinc/91/96/13/371919613.db2.gz MAAJSFIIZCFYSV-UHFFFAOYSA-N 1 2 210.346 3.404 10 0 BGAELO Nc1cc(SC2CCCCC2)cc[nH+]1 ZINC000227673823 371920626 /nfs/dbraw/zinc/92/06/26/371920626.db2.gz ACIUGSUZZWYZCR-UHFFFAOYSA-N 1 2 208.330 3.089 10 0 BGAELO CNc1cc(SC2CCCC2)cc[nH+]1 ZINC000227674483 371920267 /nfs/dbraw/zinc/92/02/67/371920267.db2.gz OFSCNBSGQPWWRU-UHFFFAOYSA-N 1 2 208.330 3.158 10 0 BGAELO C[C@@H]1CCc2c1[nH+]c1ccc(Cl)cn12 ZINC000228011534 371975729 /nfs/dbraw/zinc/97/57/29/371975729.db2.gz WFORNHKCZBDCOV-SSDOTTSWSA-N 1 2 206.676 3.037 10 0 BGAELO C[C@H]1CCc2c1[nH+]c1ccc(Cl)cn12 ZINC000228011542 371976037 /nfs/dbraw/zinc/97/60/37/371976037.db2.gz WFORNHKCZBDCOV-ZETCQYMHSA-N 1 2 206.676 3.037 10 0 BGAELO Cc1c(C(C)C)[nH+]c2ccc(Cl)cn12 ZINC000228011779 371976530 /nfs/dbraw/zinc/97/65/30/371976530.db2.gz PRMAVVXQJPPJKP-UHFFFAOYSA-N 1 2 208.692 3.420 10 0 BGAELO CC1(c2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000228012527 371975975 /nfs/dbraw/zinc/97/59/75/371975975.db2.gz FJJTWFGJSZSWGU-UHFFFAOYSA-N 1 2 206.676 3.039 10 0 BGAELO CCNc1c[nH+]cc(NCc2ccccc2)c1 ZINC000228309261 372013829 /nfs/dbraw/zinc/01/38/29/372013829.db2.gz PTPIXXQMDJLGSO-UHFFFAOYSA-N 1 2 227.311 3.126 10 0 BGAELO CC1(C)COc2ccc(-c3ccc[nH+]c3N)cc21 ZINC000228529942 487671176 /nfs/dbraw/zinc/67/11/76/487671176.db2.gz XAIWOQZSVMJMJW-UHFFFAOYSA-N 1 2 240.306 3.001 10 0 BGAELO CC1(C)COc2ccc(-c3ccc(N)[nH+]c3)cc21 ZINC000228530243 323086175 /nfs/dbraw/zinc/08/61/75/323086175.db2.gz SSYDLMSGPFACOH-UHFFFAOYSA-N 1 2 240.306 3.001 10 0 BGAELO Cc1ccc(-c2[nH]cc[nH+]2)c(Br)c1 ZINC000228840662 351420285 /nfs/dbraw/zinc/42/02/85/351420285.db2.gz PIOCBXBZMOVVCE-UHFFFAOYSA-N 1 2 237.100 3.148 10 0 BGAELO CC(C)C(C[NH2+]CC(F)(F)F)C(C)C ZINC000229549011 259641724 /nfs/dbraw/zinc/64/17/24/259641724.db2.gz XNAKSLAPQTZUPW-UHFFFAOYSA-N 1 2 211.271 3.067 10 0 BGAELO Nc1ccc(-c2sccc2Cl)c[nH+]1 ZINC000229945670 342858119 /nfs/dbraw/zinc/85/81/19/342858119.db2.gz ZIMQIZGUFYBJNK-UHFFFAOYSA-N 1 2 210.689 3.046 10 0 BGAELO Nc1[nH+]cccc1-c1sccc1Cl ZINC000229945857 342858010 /nfs/dbraw/zinc/85/80/10/342858010.db2.gz NZCPZWJGWNRAQK-UHFFFAOYSA-N 1 2 210.689 3.046 10 0 BGAELO Cc1cc(-c2ccccc2)c(C=O)c(C)[nH+]1 ZINC000230456591 369440969 /nfs/dbraw/zinc/44/09/69/369440969.db2.gz DUJVULFRBNFHPR-UHFFFAOYSA-N 1 2 211.264 3.178 10 0 BGAELO COC1CC(Nc2[nH+]c3ccccc3cc2C)C1 ZINC000230595703 641071561 /nfs/dbraw/zinc/07/15/61/641071561.db2.gz IUHOUQVWSFJRHB-UHFFFAOYSA-N 1 2 242.322 3.133 10 0 BGAELO CCc1cnc(C[NH2+][C@@H](C)c2cccs2)o1 ZINC000230630107 491130490 /nfs/dbraw/zinc/13/04/90/491130490.db2.gz IITWUHBWUWTGLP-VIFPVBQESA-N 1 2 236.340 3.149 10 0 BGAELO CCc1cnc(C[NH2+][C@H](C)c2cccs2)o1 ZINC000230630114 491130459 /nfs/dbraw/zinc/13/04/59/491130459.db2.gz IITWUHBWUWTGLP-SECBINFHSA-N 1 2 236.340 3.149 10 0 BGAELO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ncc(C)o2)o1 ZINC000230630191 357542549 /nfs/dbraw/zinc/54/25/49/357542549.db2.gz JKYUQMSVUYANOV-MNOVXSKESA-N 1 2 234.299 3.296 10 0 BGAELO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ncc(C)o2)o1 ZINC000230630198 357542505 /nfs/dbraw/zinc/54/25/05/357542505.db2.gz JKYUQMSVUYANOV-QWRGUYRKSA-N 1 2 234.299 3.296 10 0 BGAELO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ncc(C)o2)o1 ZINC000230630205 357542242 /nfs/dbraw/zinc/54/22/42/357542242.db2.gz JKYUQMSVUYANOV-GHMZBOCLSA-N 1 2 234.299 3.296 10 0 BGAELO Cc1ccc([C@H](C)[NH2+][C@H](C)c2ncc(C)o2)o1 ZINC000230630212 357542421 /nfs/dbraw/zinc/54/24/21/357542421.db2.gz JKYUQMSVUYANOV-WDEREUQCSA-N 1 2 234.299 3.296 10 0 BGAELO Cc1cnc([C@@H](C)[NH2+]Cc2cc(C)ccc2C)o1 ZINC000230646017 357543358 /nfs/dbraw/zinc/54/33/58/357543358.db2.gz ZBHUFCOXSRCMPB-CYBMUJFWSA-N 1 2 244.338 3.451 10 0 BGAELO Cc1cnc([C@H](C)[NH2+]Cc2cc(C)ccc2C)o1 ZINC000230646024 357543631 /nfs/dbraw/zinc/54/36/31/357543631.db2.gz ZBHUFCOXSRCMPB-ZDUSSCGKSA-N 1 2 244.338 3.451 10 0 BGAELO CCS[C@@H]1CC[C@@H](Nc2cccc[nH+]2)C1 ZINC000230923153 363328604 /nfs/dbraw/zinc/32/86/04/363328604.db2.gz LOIUWRBGZMOHJF-GHMZBOCLSA-N 1 2 222.357 3.168 10 0 BGAELO CCS[C@H]1CC[C@@H](Nc2cccc[nH+]2)C1 ZINC000230923156 363328667 /nfs/dbraw/zinc/32/86/67/363328667.db2.gz LOIUWRBGZMOHJF-MNOVXSKESA-N 1 2 222.357 3.168 10 0 BGAELO CCS[C@@H]1CC[C@H](Nc2cccc[nH+]2)C1 ZINC000230923159 363328865 /nfs/dbraw/zinc/32/88/65/363328865.db2.gz LOIUWRBGZMOHJF-WDEREUQCSA-N 1 2 222.357 3.168 10 0 BGAELO CCS[C@H]1CC[C@H](Nc2cccc[nH+]2)C1 ZINC000230923164 363328768 /nfs/dbraw/zinc/32/87/68/363328768.db2.gz LOIUWRBGZMOHJF-QWRGUYRKSA-N 1 2 222.357 3.168 10 0 BGAELO Cc1cnc([C@@H](C)[NH2+]Cc2cc(C)ccc2F)o1 ZINC000231529022 357609449 /nfs/dbraw/zinc/60/94/49/357609449.db2.gz OWEDKJHMXRJDHI-LLVKDONJSA-N 1 2 248.301 3.281 10 0 BGAELO Cc1cnc([C@H](C)[NH2+]Cc2cc(C)ccc2F)o1 ZINC000231529041 357609360 /nfs/dbraw/zinc/60/93/60/357609360.db2.gz OWEDKJHMXRJDHI-NSHDSACASA-N 1 2 248.301 3.281 10 0 BGAELO Cc1cnc([C@@H](C)[NH2+]Cc2ccc(C)c(C)c2)o1 ZINC000231530794 357609490 /nfs/dbraw/zinc/60/94/90/357609490.db2.gz QGHOYSNTIVVLTI-CYBMUJFWSA-N 1 2 244.338 3.451 10 0 BGAELO Cc1cnc([C@H](C)[NH2+]Cc2ccc(C)c(C)c2)o1 ZINC000231530812 357609577 /nfs/dbraw/zinc/60/95/77/357609577.db2.gz QGHOYSNTIVVLTI-ZDUSSCGKSA-N 1 2 244.338 3.451 10 0 BGAELO CCc1cnc(C[NH2+][C@@H](C)c2cccc(C)c2)o1 ZINC000231636667 488217309 /nfs/dbraw/zinc/21/73/09/488217309.db2.gz ANIGNJFTORWXHY-LBPRGKRZSA-N 1 2 244.338 3.396 10 0 BGAELO CCc1cnc(C[NH2+][C@H](C)c2cccc(C)c2)o1 ZINC000231636670 488217206 /nfs/dbraw/zinc/21/72/06/488217206.db2.gz ANIGNJFTORWXHY-GFCCVEGCSA-N 1 2 244.338 3.396 10 0 BGAELO Cc1cnc(C[NH2+][C@@H](C)c2cccc(C)c2)o1 ZINC000231640912 136270838 /nfs/dbraw/zinc/27/08/38/136270838.db2.gz QIONIXHVIOQVTD-LBPRGKRZSA-N 1 2 230.311 3.142 10 0 BGAELO Cc1cnc(C[NH2+][C@H](C)c2cccc(C)c2)o1 ZINC000231640915 136270727 /nfs/dbraw/zinc/27/07/27/136270727.db2.gz QIONIXHVIOQVTD-GFCCVEGCSA-N 1 2 230.311 3.142 10 0 BGAELO C[NH2+][C@@H](c1ccc(C)c(Cl)c1)C(F)F ZINC000231999908 351502354 /nfs/dbraw/zinc/50/23/54/351502354.db2.gz ZHJCVDITJPTNDE-VIFPVBQESA-N 1 2 219.662 3.174 10 0 BGAELO C[NH2+][C@H](c1ccc(C)c(Cl)c1)C(F)F ZINC000231999910 351502020 /nfs/dbraw/zinc/50/20/20/351502020.db2.gz ZHJCVDITJPTNDE-SECBINFHSA-N 1 2 219.662 3.174 10 0 BGAELO Oc1ccc([NH2+]C2CCCC2)cc1Cl ZINC000232392019 352649251 /nfs/dbraw/zinc/64/92/51/352649251.db2.gz FSAUTVNMZYLGPW-UHFFFAOYSA-N 1 2 211.692 3.400 10 0 BGAELO Cc1cc[nH+]cc1NC1CC(C(C)C)C1 ZINC000232541789 388853166 /nfs/dbraw/zinc/85/31/66/388853166.db2.gz HVGCVOZWNNRESG-UHFFFAOYSA-N 1 2 204.317 3.237 10 0 BGAELO Cc1cc([NH2+]C(C)C)c(Br)cc1N ZINC000232669380 353155405 /nfs/dbraw/zinc/15/54/05/353155405.db2.gz BCWMJYWZJJKXHQ-UHFFFAOYSA-N 1 2 243.148 3.160 10 0 BGAELO CC(C)[C@@H]1CCNc2[nH+]c3ccccc3n21 ZINC000232724458 541505806 /nfs/dbraw/zinc/50/58/06/541505806.db2.gz NVXYJQITPDKYAR-NSHDSACASA-N 1 2 215.300 3.049 10 0 BGAELO CC(C)[C@H]1CCNc2[nH+]c3ccccc3n21 ZINC000232736486 541507243 /nfs/dbraw/zinc/50/72/43/541507243.db2.gz NVXYJQITPDKYAR-LLVKDONJSA-N 1 2 215.300 3.049 10 0 BGAELO CCC[NH2+]c1cc(C)c(N)cc1Br ZINC000233194285 355646211 /nfs/dbraw/zinc/64/62/11/355646211.db2.gz ZUQMPTXLYBBBOE-UHFFFAOYSA-N 1 2 243.148 3.162 10 0 BGAELO CCCOc1ccc([NH2+]C2CCC(O)CC2)cc1 ZINC000233251701 169319983 /nfs/dbraw/zinc/31/99/83/169319983.db2.gz JXMOXSAZSIHBBK-UHFFFAOYSA-N 1 2 249.354 3.191 10 0 BGAELO CC[C@@H]1[C@@H](C)CNc2[nH+]c3ccccc3n21 ZINC000233955127 541509586 /nfs/dbraw/zinc/50/95/86/541509586.db2.gz PVLQIIXVKMYZCE-GXSJLCMTSA-N 1 2 215.300 3.049 10 0 BGAELO CC[C@@H]1[C@H](C)CNc2[nH+]c3ccccc3n21 ZINC000233964038 541509913 /nfs/dbraw/zinc/50/99/13/541509913.db2.gz PVLQIIXVKMYZCE-MWLCHTKSSA-N 1 2 215.300 3.049 10 0 BGAELO CC[C@H](C)[C@@H]1CCC[C@@H](C(F)(F)F)[NH2+]1 ZINC000234000433 342939379 /nfs/dbraw/zinc/93/93/79/342939379.db2.gz CZAACEQACXEBRU-CIUDSAMLSA-N 1 2 209.255 3.106 10 0 BGAELO CC[C@H](C)[C@H]1CCC[C@@H](C(F)(F)F)[NH2+]1 ZINC000234001014 343242565 /nfs/dbraw/zinc/24/25/65/343242565.db2.gz CZAACEQACXEBRU-YIZRAAEISA-N 1 2 209.255 3.106 10 0 BGAELO CC[C@H]1[C@@H](C)CNc2[nH+]c3ccccc3n21 ZINC000234088949 541510683 /nfs/dbraw/zinc/51/06/83/541510683.db2.gz PVLQIIXVKMYZCE-ONGXEEELSA-N 1 2 215.300 3.049 10 0 BGAELO CC[C@H]1[C@H](C)CNc2[nH+]c3ccccc3n21 ZINC000234106818 541510831 /nfs/dbraw/zinc/51/08/31/541510831.db2.gz PVLQIIXVKMYZCE-KOLCDFICSA-N 1 2 215.300 3.049 10 0 BGAELO C[NH2+][C@H](C1=CCCCCCC1)C(F)F ZINC000234409682 343963812 /nfs/dbraw/zinc/96/38/12/343963812.db2.gz PLYJSELEIITMPJ-SNVBAGLBSA-N 1 2 203.276 3.120 10 0 BGAELO C[NH2+][C@@H](C1=CCCCCCC1)C(F)F ZINC000234464646 343972205 /nfs/dbraw/zinc/97/22/05/343972205.db2.gz PLYJSELEIITMPJ-JTQLQIEISA-N 1 2 203.276 3.120 10 0 BGAELO COc1cccc2c1cc[nH+]c2N[C@@H]1C[C@@H]1C ZINC000235042704 357840967 /nfs/dbraw/zinc/84/09/67/357840967.db2.gz ZRHONWCZLYHWNU-JOYOIKCWSA-N 1 2 228.295 3.064 10 0 BGAELO COc1cccc2c1cc[nH+]c2N[C@@H]1C[C@H]1C ZINC000235042892 134586421 /nfs/dbraw/zinc/58/64/21/134586421.db2.gz ZRHONWCZLYHWNU-BXKDBHETSA-N 1 2 228.295 3.064 10 0 BGAELO COc1cccc2c1cc[nH+]c2N[C@H]1C[C@@H]1C ZINC000235046450 357841924 /nfs/dbraw/zinc/84/19/24/357841924.db2.gz ZRHONWCZLYHWNU-CABZTGNLSA-N 1 2 228.295 3.064 10 0 BGAELO COc1cccc2c1cc[nH+]c2N[C@H]1C[C@H]1C ZINC000235046627 134586701 /nfs/dbraw/zinc/58/67/01/134586701.db2.gz ZRHONWCZLYHWNU-SKDRFNHKSA-N 1 2 228.295 3.064 10 0 BGAELO CSc1ccc(-c2[nH]cc(C)[nH+]2)cc1 ZINC000235058750 344754511 /nfs/dbraw/zinc/75/45/11/344754511.db2.gz KVFCAWUNDVUZSD-UHFFFAOYSA-N 1 2 204.298 3.107 10 0 BGAELO CC1=C[C@H](C)C[C@H](C[NH2+]CC(F)(F)F)C1 ZINC000235283334 535250114 /nfs/dbraw/zinc/25/01/14/535250114.db2.gz LTRDURBKMQXGTL-WPRPVWTQSA-N 1 2 221.266 3.131 10 0 BGAELO CC1=C[C@H](C)C[C@@H](C[NH2+]CC(F)(F)F)C1 ZINC000235388670 363442299 /nfs/dbraw/zinc/44/22/99/363442299.db2.gz LTRDURBKMQXGTL-WCBMZHEXSA-N 1 2 221.266 3.131 10 0 BGAELO CC1=C[C@@H](C)C[C@@H](C[NH2+]CC(F)(F)F)C1 ZINC000235672505 363449785 /nfs/dbraw/zinc/44/97/85/363449785.db2.gz LTRDURBKMQXGTL-PSASIEDQSA-N 1 2 221.266 3.131 10 0 BGAELO CC1=C[C@@H](C)C[C@H](C[NH2+]CC(F)(F)F)C1 ZINC000235700621 363450745 /nfs/dbraw/zinc/45/07/45/363450745.db2.gz LTRDURBKMQXGTL-SCZZXKLOSA-N 1 2 221.266 3.131 10 0 BGAELO Cc1cc[nH+]c(NC(C)(C)C)c1Br ZINC000235787065 345870569 /nfs/dbraw/zinc/87/05/69/345870569.db2.gz ORBLBIFOIFGVIL-UHFFFAOYSA-N 1 2 243.148 3.363 10 0 BGAELO Cc1ccc(-c2[nH]cc[nH+]2)cc1Br ZINC000235915638 345965608 /nfs/dbraw/zinc/96/56/08/345965608.db2.gz HVWVTFAIUQTQDX-UHFFFAOYSA-N 1 2 237.100 3.148 10 0 BGAELO Cc1cc[nH+]c(NC2(C)CC2)c1Br ZINC000235929573 345965567 /nfs/dbraw/zinc/96/55/67/345965567.db2.gz VCUBMDDQEUAFCE-UHFFFAOYSA-N 1 2 241.132 3.117 10 0 BGAELO Clc1ccc(Cl)c([C@@H]2[NH2+]CCS2)c1 ZINC000236060720 346187202 /nfs/dbraw/zinc/18/72/02/346187202.db2.gz KCYMCJRTBOSZRY-SECBINFHSA-N 1 2 234.151 3.328 10 0 BGAELO Clc1ccc(Cl)c([C@H]2[NH2+]CCS2)c1 ZINC000236061363 346187269 /nfs/dbraw/zinc/18/72/69/346187269.db2.gz KCYMCJRTBOSZRY-VIFPVBQESA-N 1 2 234.151 3.328 10 0 BGAELO [NH3+]Cc1ccc(-c2ccc(Cl)s2)o1 ZINC000236219244 344321048 /nfs/dbraw/zinc/32/10/48/344321048.db2.gz SGIJYYARFZRZEN-UHFFFAOYSA-N 1 2 213.689 3.120 10 0 BGAELO Fc1ccc([C@@H]2[NH2+]CCCS2)c(Cl)c1 ZINC000236232455 346213026 /nfs/dbraw/zinc/21/30/26/346213026.db2.gz PONNJLBCMNVBHR-SNVBAGLBSA-N 1 2 231.723 3.204 10 0 BGAELO Fc1ccc([C@H]2[NH2+]CCCS2)c(Cl)c1 ZINC000236273004 346218274 /nfs/dbraw/zinc/21/82/74/346218274.db2.gz PONNJLBCMNVBHR-JTQLQIEISA-N 1 2 231.723 3.204 10 0 BGAELO Cc1[nH+]ccc(OC(F)(F)F)c1C(F)F ZINC000238491366 361127399 /nfs/dbraw/zinc/12/73/99/361127399.db2.gz NCXVWKABDFVROV-UHFFFAOYSA-N 1 2 227.132 3.226 10 0 BGAELO Cc1cc(OC(F)(F)F)c(C(F)F)c[nH+]1 ZINC000238491782 344495623 /nfs/dbraw/zinc/49/56/23/344495623.db2.gz NJOIJQMLWOSPLG-UHFFFAOYSA-N 1 2 227.132 3.226 10 0 BGAELO Cc1ccc(Br)cc1-c1[nH]cc[nH+]1 ZINC000238539434 345072925 /nfs/dbraw/zinc/07/29/25/345072925.db2.gz JEKBSTDWYUHDRC-UHFFFAOYSA-N 1 2 237.100 3.148 10 0 BGAELO [NH3+][C@H](c1ccc(Cl)cc1Cl)C(F)F ZINC000238653477 345102788 /nfs/dbraw/zinc/10/27/88/345102788.db2.gz RMIARBWCILLJPP-SSDOTTSWSA-N 1 2 226.053 3.258 10 0 BGAELO CC(C)C[C@H]1S[C@H](C)[NH2+][C@H](C)S1 ZINC000245204666 386588477 /nfs/dbraw/zinc/58/84/77/386588477.db2.gz FVPPILNIVWRBNY-BRPSZJMVSA-N 1 2 205.392 3.120 10 0 endogenous,in-man BGAELO C[C@H]1C[C@H]1c1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)o1 ZINC000246253059 388627224 /nfs/dbraw/zinc/62/72/24/388627224.db2.gz VSEYSIMOSXFMTL-FMCLSXCISA-N 1 2 249.354 3.012 10 0 BGAELO C[C@@H]1C[C@H]1c1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)o1 ZINC000246253067 325554202 /nfs/dbraw/zinc/55/42/02/325554202.db2.gz VSEYSIMOSXFMTL-HKUMRIAESA-N 1 2 249.354 3.012 10 0 BGAELO Cc1cccc([C@H](C)c2cn(C)c[nH+]2)c1C ZINC000247893807 188259390 /nfs/dbraw/zinc/25/93/90/188259390.db2.gz WHRVPTNZNAEMTJ-LBPRGKRZSA-N 1 2 214.312 3.189 10 0 BGAELO C[N@H+]1CCN(c2ccccc2)[C@H]1c1ccccc1 ZINC000254088657 173095806 /nfs/dbraw/zinc/09/58/06/173095806.db2.gz PHVZEWGFVRMOPG-INIZCTEOSA-N 1 2 238.334 3.137 10 0 BGAELO C[N@@H+]1CCN(c2ccccc2)[C@H]1c1ccccc1 ZINC000254088657 173095802 /nfs/dbraw/zinc/09/58/02/173095802.db2.gz PHVZEWGFVRMOPG-INIZCTEOSA-N 1 2 238.334 3.137 10 0 BGAELO C/C=C\CSCc1[nH+]ccn1C(C)C ZINC000255379697 384505879 /nfs/dbraw/zinc/50/58/79/384505879.db2.gz AYMXRBMXHHAZQF-PLNGDYQASA-N 1 2 210.346 3.273 10 0 BGAELO CC(C)c1[nH+]cc(Br)n1C(C)C ZINC000258580339 387042483 /nfs/dbraw/zinc/04/24/83/387042483.db2.gz QPKTVSMJJQRUDC-UHFFFAOYSA-N 1 2 231.137 3.350 10 0 BGAELO CC1(C[N@H+]2CCCc3c(N)cccc32)CCC1 ZINC000261566588 135208808 /nfs/dbraw/zinc/20/88/08/135208808.db2.gz ZDKSNKIPZHSXKL-UHFFFAOYSA-N 1 2 230.355 3.212 10 0 BGAELO CC1(C[N@@H+]2CCCc3c(N)cccc32)CCC1 ZINC000261566588 135208807 /nfs/dbraw/zinc/20/88/07/135208807.db2.gz ZDKSNKIPZHSXKL-UHFFFAOYSA-N 1 2 230.355 3.212 10 0 BGAELO CC(C)(C)[C@H](O)CNc1ccc2ccccc2[nH+]1 ZINC000264828878 188193974 /nfs/dbraw/zinc/19/39/74/188193974.db2.gz SSZKILSRQNRPMC-CYBMUJFWSA-N 1 2 244.338 3.054 10 0 BGAELO CC(C)(C)[C@@H](O)CNc1ccc2ccccc2[nH+]1 ZINC000264828879 388992405 /nfs/dbraw/zinc/99/24/05/388992405.db2.gz SSZKILSRQNRPMC-ZDUSSCGKSA-N 1 2 244.338 3.054 10 0 BGAELO CC(C)[C@H](C)Nc1cc[nH+]c2ccncc12 ZINC000267258259 388999026 /nfs/dbraw/zinc/99/90/26/388999026.db2.gz WCIUPRJURZWTRQ-JTQLQIEISA-N 1 2 215.300 3.086 10 0 BGAELO CC(C)[C@@H](C)Nc1cc[nH+]c2ccncc12 ZINC000267258260 167387833 /nfs/dbraw/zinc/38/78/33/167387833.db2.gz WCIUPRJURZWTRQ-SNVBAGLBSA-N 1 2 215.300 3.086 10 0 BGAELO Cc1ccc(N[C@H]2CCC[C@H]2CCF)c[nH+]1 ZINC000285936503 387296283 /nfs/dbraw/zinc/29/62/83/387296283.db2.gz DDSCWZLOKMMFDG-AAEUAGOBSA-N 1 2 222.307 3.330 10 0 BGAELO Cc1ccc(N[C@@H]2CCC[C@@H]2CCF)c[nH+]1 ZINC000285936511 387294657 /nfs/dbraw/zinc/29/46/57/387294657.db2.gz DDSCWZLOKMMFDG-DGCLKSJQSA-N 1 2 222.307 3.330 10 0 BGAELO Cc1ccc(N[C@@H]2CCC[C@H]2CCF)c[nH+]1 ZINC000285936516 387296353 /nfs/dbraw/zinc/29/63/53/387296353.db2.gz DDSCWZLOKMMFDG-WCQYABFASA-N 1 2 222.307 3.330 10 0 BGAELO Cc1ccc(N[C@H]2CCC[C@@H]2CCF)c[nH+]1 ZINC000285936523 387295794 /nfs/dbraw/zinc/29/57/94/387295794.db2.gz DDSCWZLOKMMFDG-YPMHNXCESA-N 1 2 222.307 3.330 10 0 BGAELO CC[C@@H]1CC[N@H+]1Cc1ccc(Cl)nc1Cl ZINC000292293787 171024026 /nfs/dbraw/zinc/02/40/26/171024026.db2.gz CQWFQPVOOGTDBQ-SECBINFHSA-N 1 2 245.153 3.373 10 0 BGAELO CC[C@@H]1CC[N@@H+]1Cc1ccc(Cl)nc1Cl ZINC000292293787 171024023 /nfs/dbraw/zinc/02/40/23/171024023.db2.gz CQWFQPVOOGTDBQ-SECBINFHSA-N 1 2 245.153 3.373 10 0 BGAELO CC[C@H]1CC[N@H+]1Cc1ccc(Cl)nc1Cl ZINC000292293789 386647903 /nfs/dbraw/zinc/64/79/03/386647903.db2.gz CQWFQPVOOGTDBQ-VIFPVBQESA-N 1 2 245.153 3.373 10 0 BGAELO CC[C@H]1CC[N@@H+]1Cc1ccc(Cl)nc1Cl ZINC000292293789 386647898 /nfs/dbraw/zinc/64/78/98/386647898.db2.gz CQWFQPVOOGTDBQ-VIFPVBQESA-N 1 2 245.153 3.373 10 0 BGAELO CC[C@@H]1CC[N@H+]1Cc1nc(Cl)ccc1Cl ZINC000292426335 171024586 /nfs/dbraw/zinc/02/45/86/171024586.db2.gz NEFJJQWAYKVRDF-MRVPVSSYSA-N 1 2 245.153 3.373 10 0 BGAELO CC[C@@H]1CC[N@@H+]1Cc1nc(Cl)ccc1Cl ZINC000292426335 171024584 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UCPPYCCEKCANGW-LURJTMIESA-N 1 2 211.664 3.057 10 0 BGAELO CC(F)(F)[C@H]([NH3+])c1ccc(Cl)s1 ZINC000306198037 359026115 /nfs/dbraw/zinc/02/61/15/359026115.db2.gz UCPPYCCEKCANGW-ZCFIWIBFSA-N 1 2 211.664 3.057 10 0 BGAELO C[C@H](c1occc1Br)[N@@H+](C)C1CC1 ZINC000306210930 359304577 /nfs/dbraw/zinc/30/45/77/359304577.db2.gz GXJDKWYHSBRJCG-SSDOTTSWSA-N 1 2 244.132 3.197 10 0 BGAELO C[C@H](c1occc1Br)[N@H+](C)C1CC1 ZINC000306210930 359304574 /nfs/dbraw/zinc/30/45/74/359304574.db2.gz GXJDKWYHSBRJCG-SSDOTTSWSA-N 1 2 244.132 3.197 10 0 BGAELO C[C@@H](c1occc1Br)[N@@H+](C)C1CC1 ZINC000306210931 359304731 /nfs/dbraw/zinc/30/47/31/359304731.db2.gz GXJDKWYHSBRJCG-ZETCQYMHSA-N 1 2 244.132 3.197 10 0 BGAELO C[C@@H](c1occc1Br)[N@H+](C)C1CC1 ZINC000306210931 359304728 /nfs/dbraw/zinc/30/47/28/359304728.db2.gz GXJDKWYHSBRJCG-ZETCQYMHSA-N 1 2 244.132 3.197 10 0 BGAELO C[C@@H]([NH2+][C@@H]1CCCC1(C)C)C(F)(F)F ZINC000306222615 359344381 /nfs/dbraw/zinc/34/43/81/359344381.db2.gz XNHQWJVXFCGEQB-HTQZYQBOSA-N 1 2 209.255 3.106 10 0 BGAELO C[C@H]([NH2+][C@@H]1CCCC1(C)C)C(F)(F)F ZINC000306222875 359345701 /nfs/dbraw/zinc/34/57/01/359345701.db2.gz XNHQWJVXFCGEQB-JGVFFNPUSA-N 1 2 209.255 3.106 10 0 BGAELO C[C@@H]([NH2+][C@H]1CCCC1(C)C)C(F)(F)F ZINC000306222876 359345615 /nfs/dbraw/zinc/34/56/15/359345615.db2.gz XNHQWJVXFCGEQB-SFYZADRCSA-N 1 2 209.255 3.106 10 0 BGAELO C[C@H]([NH2+][C@H]1CCCC1(C)C)C(F)(F)F ZINC000306222877 359345505 /nfs/dbraw/zinc/34/55/05/359345505.db2.gz XNHQWJVXFCGEQB-YUMQZZPRSA-N 1 2 209.255 3.106 10 0 BGAELO Clc1sccc1[C@@H]1[NH2+]CCCS1 ZINC000306232463 359388962 /nfs/dbraw/zinc/38/89/62/359388962.db2.gz MGXNLESFCLPUCQ-MRVPVSSYSA-N 1 2 219.762 3.127 10 0 BGAELO Clc1sccc1[C@H]1[NH2+]CCCS1 ZINC000306232487 359389186 /nfs/dbraw/zinc/38/91/86/359389186.db2.gz MGXNLESFCLPUCQ-QMMMGPOBSA-N 1 2 219.762 3.127 10 0 BGAELO Nc1[nH+]cccc1-c1ccsc1Cl ZINC000306380466 359719931 /nfs/dbraw/zinc/71/99/31/359719931.db2.gz JWCDDPZKVHVPBH-UHFFFAOYSA-N 1 2 210.689 3.046 10 0 BGAELO CCc1[nH]c2cc(C)c(Br)cc2[nH+]1 ZINC000306382376 359732875 /nfs/dbraw/zinc/73/28/75/359732875.db2.gz TYPQJTMHPFUMEU-UHFFFAOYSA-N 1 2 239.116 3.196 10 0 BGAELO CCc1[nH]c2cc(Br)c(C)cc2[nH+]1 ZINC000306382376 359732872 /nfs/dbraw/zinc/73/28/72/359732872.db2.gz TYPQJTMHPFUMEU-UHFFFAOYSA-N 1 2 239.116 3.196 10 0 BGAELO C[C@@H]1C[NH2+][C@@H](c2ccsc2Cl)SC1 ZINC000306418118 359826191 /nfs/dbraw/zinc/82/61/91/359826191.db2.gz ZOXQESHOTFPYDT-HZGVNTEJSA-N 1 2 233.789 3.373 10 0 BGAELO C[C@H]1C[NH2+][C@@H](c2ccsc2Cl)SC1 ZINC000306418119 359826271 /nfs/dbraw/zinc/82/62/71/359826271.db2.gz ZOXQESHOTFPYDT-IMTBSYHQSA-N 1 2 233.789 3.373 10 0 BGAELO C[C@@H]1C[NH2+][C@H](c2ccsc2Cl)SC1 ZINC000306418120 359825964 /nfs/dbraw/zinc/82/59/64/359825964.db2.gz ZOXQESHOTFPYDT-MUWHJKNJSA-N 1 2 233.789 3.373 10 0 BGAELO C[C@H]1C[NH2+][C@H](c2ccsc2Cl)SC1 ZINC000306418121 359825862 /nfs/dbraw/zinc/82/58/62/359825862.db2.gz ZOXQESHOTFPYDT-RCOVLWMOSA-N 1 2 233.789 3.373 10 0 BGAELO FC(F)(C[NH2+]Cc1ccccc1)C1CCC1 ZINC000306485755 398203840 /nfs/dbraw/zinc/20/38/40/398203840.db2.gz HWHGHKQOYVKHOW-UHFFFAOYSA-N 1 2 225.282 3.212 10 0 BGAELO Cc1cc(N)c(Cl)cc1[NH2+]CCCF ZINC000306539890 360404410 /nfs/dbraw/zinc/40/44/10/360404410.db2.gz OGQWJJZWSGVKRF-UHFFFAOYSA-N 1 2 216.687 3.002 10 0 BGAELO CCN(CC)c1[nH+]ccc2ccsc21 ZINC000306590889 360510250 /nfs/dbraw/zinc/51/02/50/360510250.db2.gz YHPWDCCHWHXWET-UHFFFAOYSA-N 1 2 206.314 3.143 10 0 BGAELO Clc1ccsc1[C@@H]1[NH2+]CCCS1 ZINC000306739104 350912369 /nfs/dbraw/zinc/91/23/69/350912369.db2.gz JHYWJIFVHBGCPH-MRVPVSSYSA-N 1 2 219.762 3.127 10 0 BGAELO Clc1ccsc1[C@H]1[NH2+]CCCS1 ZINC000306739105 350911803 /nfs/dbraw/zinc/91/18/03/350911803.db2.gz JHYWJIFVHBGCPH-QMMMGPOBSA-N 1 2 219.762 3.127 10 0 BGAELO Nc1cc(-c2ccsc2Cl)cc[nH+]1 ZINC000306754421 350965915 /nfs/dbraw/zinc/96/59/15/350965915.db2.gz NNNIXBIZSWGEFR-UHFFFAOYSA-N 1 2 210.689 3.046 10 0 BGAELO C[C@@H]1C[C@@H](C)[NH+]1Cc1cc(Br)co1 ZINC000306824897 351132834 /nfs/dbraw/zinc/13/28/34/351132834.db2.gz VMHAZBJSYACICX-HTQZYQBOSA-N 1 2 244.132 3.025 10 0 BGAELO C[C@@H]1C[C@H](C)[N@@H+]1Cc1cc(Br)co1 ZINC000306824898 351133184 /nfs/dbraw/zinc/13/31/84/351133184.db2.gz VMHAZBJSYACICX-OCAPTIKFSA-N 1 2 244.132 3.025 10 0 BGAELO C[C@@H]1C[C@H](C)[N@H+]1Cc1cc(Br)co1 ZINC000306824898 351133182 /nfs/dbraw/zinc/13/31/82/351133182.db2.gz VMHAZBJSYACICX-OCAPTIKFSA-N 1 2 244.132 3.025 10 0 BGAELO C[C@H]1C[C@H](C)[NH+]1Cc1cc(Br)co1 ZINC000306824899 351132672 /nfs/dbraw/zinc/13/26/72/351132672.db2.gz VMHAZBJSYACICX-YUMQZZPRSA-N 1 2 244.132 3.025 10 0 BGAELO CC(F)(F)[C@@H]([NH3+])c1sccc1Cl ZINC000306873372 397932214 /nfs/dbraw/zinc/93/22/14/397932214.db2.gz XJIYSLKNVVIGKZ-LURJTMIESA-N 1 2 211.664 3.057 10 0 BGAELO CC(F)(F)[C@H]([NH3+])c1sccc1Cl ZINC000306873373 397931478 /nfs/dbraw/zinc/93/14/78/397931478.db2.gz XJIYSLKNVVIGKZ-ZCFIWIBFSA-N 1 2 211.664 3.057 10 0 BGAELO CC(F)(F)[C@H]([NH3+])c1ccc(Cl)cc1F ZINC000306977226 351396446 /nfs/dbraw/zinc/39/64/46/351396446.db2.gz AMBRNTSNWZJVOI-MRVPVSSYSA-N 1 2 223.625 3.134 10 0 BGAELO CC(F)(F)[C@@H]([NH3+])c1ccc(Cl)cc1F ZINC000306977228 351396221 /nfs/dbraw/zinc/39/62/21/351396221.db2.gz AMBRNTSNWZJVOI-QMMMGPOBSA-N 1 2 223.625 3.134 10 0 BGAELO CC(F)(F)[C@H]([NH3+])c1ccsc1Cl ZINC000307037991 351439899 /nfs/dbraw/zinc/43/98/99/351439899.db2.gz GNIRNKAJEJNBSI-RXMQYKEDSA-N 1 2 211.664 3.057 10 0 BGAELO CC(F)(F)[C@@H]([NH3+])c1ccsc1Cl ZINC000307037993 351440100 /nfs/dbraw/zinc/44/01/00/351440100.db2.gz GNIRNKAJEJNBSI-YFKPBYRVSA-N 1 2 211.664 3.057 10 0 BGAELO C[C@@H]1C[NH2+][C@@H](c2sccc2Cl)SC1 ZINC000307127773 385927543 /nfs/dbraw/zinc/92/75/43/385927543.db2.gz CNVBTAMDVLGXRM-HZGVNTEJSA-N 1 2 233.789 3.373 10 0 BGAELO C[C@H]1C[NH2+][C@@H](c2sccc2Cl)SC1 ZINC000307127775 385928159 /nfs/dbraw/zinc/92/81/59/385928159.db2.gz CNVBTAMDVLGXRM-IMTBSYHQSA-N 1 2 233.789 3.373 10 0 BGAELO C[C@@H]1C[NH2+][C@H](c2sccc2Cl)SC1 ZINC000307127777 385927355 /nfs/dbraw/zinc/92/73/55/385927355.db2.gz CNVBTAMDVLGXRM-MUWHJKNJSA-N 1 2 233.789 3.373 10 0 BGAELO C[C@H]1C[NH2+][C@H](c2sccc2Cl)SC1 ZINC000307127779 385928634 /nfs/dbraw/zinc/92/86/34/385928634.db2.gz CNVBTAMDVLGXRM-RCOVLWMOSA-N 1 2 233.789 3.373 10 0 BGAELO Clc1sccc1NC1=[NH+]CCC1 ZINC000307145561 351499133 /nfs/dbraw/zinc/49/91/33/351499133.db2.gz GPAGXEYEGPLFOO-UHFFFAOYSA-N 1 2 200.694 3.006 10 0 BGAELO FC1(F)CCCC[C@H]1[NH2+]Cc1ccccc1 ZINC000307162923 351530701 /nfs/dbraw/zinc/53/07/01/351530701.db2.gz ISYWBULZBZZORE-GFCCVEGCSA-N 1 2 225.282 3.354 10 0 BGAELO FC1(F)CCCC[C@@H]1[NH2+]Cc1ccccc1 ZINC000307162924 351527127 /nfs/dbraw/zinc/52/71/27/351527127.db2.gz ISYWBULZBZZORE-LBPRGKRZSA-N 1 2 225.282 3.354 10 0 BGAELO C[C@@H]1CS[C@H](c2ccsc2Cl)[NH2+]1 ZINC000307230370 351680912 /nfs/dbraw/zinc/68/09/12/351680912.db2.gz BTAXHUBNENQPMF-SVGQVSJJSA-N 1 2 219.762 3.125 10 0 BGAELO C[C@H]1CS[C@@H](c2ccsc2Cl)[NH2+]1 ZINC000307230388 351680862 /nfs/dbraw/zinc/68/08/62/351680862.db2.gz BTAXHUBNENQPMF-XNCJUZBTSA-N 1 2 219.762 3.125 10 0 BGAELO C[C@@H]1CS[C@@H](c2ccsc2Cl)[NH2+]1 ZINC000307230408 351680944 /nfs/dbraw/zinc/68/09/44/351680944.db2.gz BTAXHUBNENQPMF-XRGYYRRGSA-N 1 2 219.762 3.125 10 0 BGAELO C[C@H]1CS[C@H](c2ccsc2Cl)[NH2+]1 ZINC000307230424 351680969 /nfs/dbraw/zinc/68/09/69/351680969.db2.gz BTAXHUBNENQPMF-YLWLKBPMSA-N 1 2 219.762 3.125 10 0 BGAELO Clc1cc([C@@H]2[NH2+]CCS2)c(Cl)s1 ZINC000307327562 352023883 /nfs/dbraw/zinc/02/38/83/352023883.db2.gz JCGKQTRXTJJAPA-SSDOTTSWSA-N 1 2 240.180 3.390 10 0 BGAELO Clc1cc([C@H]2[NH2+]CCS2)c(Cl)s1 ZINC000307327564 352024026 /nfs/dbraw/zinc/02/40/26/352024026.db2.gz JCGKQTRXTJJAPA-ZETCQYMHSA-N 1 2 240.180 3.390 10 0 BGAELO [NH3+][C@H](c1cscc1C(F)(F)F)C(F)F ZINC000307350197 386131386 /nfs/dbraw/zinc/13/13/86/386131386.db2.gz HPYAESYAYFHXIY-RXMQYKEDSA-N 1 2 231.189 3.032 10 0 BGAELO [NH3+][C@@H](c1cscc1C(F)(F)F)C(F)F ZINC000307350199 386132498 /nfs/dbraw/zinc/13/24/98/386132498.db2.gz HPYAESYAYFHXIY-YFKPBYRVSA-N 1 2 231.189 3.032 10 0 BGAELO C[C@@H]1C[NH2+][C@@H](c2ccsc2Cl)S1 ZINC000307594849 352664894 /nfs/dbraw/zinc/66/48/94/352664894.db2.gz JJYDXLLMABUFKT-SVGQVSJJSA-N 1 2 219.762 3.125 10 0 BGAELO C[C@H]1C[NH2+][C@H](c2ccsc2Cl)S1 ZINC000307594850 352664617 /nfs/dbraw/zinc/66/46/17/352664617.db2.gz JJYDXLLMABUFKT-XNCJUZBTSA-N 1 2 219.762 3.125 10 0 BGAELO C[C@@H]1C[NH2+][C@H](c2ccsc2Cl)S1 ZINC000307594851 352664716 /nfs/dbraw/zinc/66/47/16/352664716.db2.gz JJYDXLLMABUFKT-XRGYYRRGSA-N 1 2 219.762 3.125 10 0 BGAELO C[C@H]1C[NH2+][C@@H](c2ccsc2Cl)S1 ZINC000307594852 352664741 /nfs/dbraw/zinc/66/47/41/352664741.db2.gz JJYDXLLMABUFKT-YLWLKBPMSA-N 1 2 219.762 3.125 10 0 BGAELO Cc1cc[nH+]c(C)c1NC(=O)OC(C)(C)C ZINC000307702525 353007432 /nfs/dbraw/zinc/00/74/32/353007432.db2.gz UKNUEUAZJJWGCC-UHFFFAOYSA-N 1 2 222.288 3.045 10 0 BGAELO C[C@@H]([NH2+]C/C(Cl)=C/Cl)c1cncc(F)c1 ZINC000309015293 631801036 /nfs/dbraw/zinc/80/10/36/631801036.db2.gz UFAHNTGMPKKFGC-LVWLXAFTSA-N 1 2 249.116 3.190 10 0 BGAELO C[C@@H]([NH2+]C/C(Cl)=C\Cl)c1cncc(F)c1 ZINC000309015297 631800374 /nfs/dbraw/zinc/80/03/74/631800374.db2.gz UFAHNTGMPKKFGC-WGJZWELTSA-N 1 2 249.116 3.190 10 0 BGAELO CSc1ccc(N[C@H]2CCC2(C)C)[nH+]c1 ZINC000309084576 385410775 /nfs/dbraw/zinc/41/07/75/385410775.db2.gz VPJUTZGZBNSYIO-JTQLQIEISA-N 1 2 222.357 3.404 10 0 BGAELO CSc1ccc(N[C@@H]2CCC2(C)C)[nH+]c1 ZINC000309084577 188166006 /nfs/dbraw/zinc/16/60/06/188166006.db2.gz VPJUTZGZBNSYIO-SNVBAGLBSA-N 1 2 222.357 3.404 10 0 BGAELO CC1=CCC[C@@H](C)[C@@H]1C[NH2+]CC(F)(F)F ZINC000309128618 385429696 /nfs/dbraw/zinc/42/96/96/385429696.db2.gz QPPWGLHEKDNLQN-NXEZZACHSA-N 1 2 221.266 3.131 10 0 BGAELO CC1=CCC[C@H](C)[C@H]1C[NH2+]CC(F)(F)F ZINC000309128619 168102989 /nfs/dbraw/zinc/10/29/89/168102989.db2.gz QPPWGLHEKDNLQN-UWVGGRQHSA-N 1 2 221.266 3.131 10 0 BGAELO CC1=CCC[C@H](C)[C@@H]1C[NH2+]CC(F)(F)F ZINC000309128620 168103659 /nfs/dbraw/zinc/10/36/59/168103659.db2.gz QPPWGLHEKDNLQN-VHSXEESVSA-N 1 2 221.266 3.131 10 0 BGAELO CC1=CCC[C@@H](C)[C@H]1C[NH2+]CC(F)(F)F ZINC000309128621 168102374 /nfs/dbraw/zinc/10/23/74/168102374.db2.gz QPPWGLHEKDNLQN-ZJUUUORDSA-N 1 2 221.266 3.131 10 0 BGAELO Cc1cnc([C@H](C)[NH2+]Cc2csc(C)c2)o1 ZINC000309173853 385450143 /nfs/dbraw/zinc/45/01/43/385450143.db2.gz BJPHBUBAIWWQKB-JTQLQIEISA-N 1 2 236.340 3.204 10 0 BGAELO Cc1cnc([C@@H](C)[NH2+]Cc2csc(C)c2)o1 ZINC000309173854 385449891 /nfs/dbraw/zinc/44/98/91/385449891.db2.gz BJPHBUBAIWWQKB-SNVBAGLBSA-N 1 2 236.340 3.204 10 0 BGAELO Cc1cc[nH+]cc1N[C@@H]1CCC12CCC2 ZINC000309221061 487790765 /nfs/dbraw/zinc/79/07/65/487790765.db2.gz VFIMOJMKZZHRKP-GFCCVEGCSA-N 1 2 202.301 3.135 10 0 BGAELO Cc1cc[nH+]cc1N[C@H]1CCC12CCC2 ZINC000309221065 487790759 /nfs/dbraw/zinc/79/07/59/487790759.db2.gz VFIMOJMKZZHRKP-LBPRGKRZSA-N 1 2 202.301 3.135 10 0 BGAELO Cc1cnc([C@@H](C)[NH2+]Cc2ccsc2C)o1 ZINC000309355082 385548293 /nfs/dbraw/zinc/54/82/93/385548293.db2.gz CHGHNQMWXRDITJ-SECBINFHSA-N 1 2 236.340 3.204 10 0 BGAELO Cc1cnc([C@H](C)[NH2+]Cc2ccsc2C)o1 ZINC000309355084 385548197 /nfs/dbraw/zinc/54/81/97/385548197.db2.gz CHGHNQMWXRDITJ-VIFPVBQESA-N 1 2 236.340 3.204 10 0 BGAELO C[C@@H]1C[C@H](Nc2ccc([NH+](C)C)cc2)[C@@H]1C ZINC000309390558 633005673 /nfs/dbraw/zinc/00/56/73/633005673.db2.gz SWTYZQYJOAQFBS-GYSYKLTISA-N 1 2 218.344 3.209 10 0 BGAELO C[C@@H]1C[C@H]([NH2+]c2ccc(N(C)C)cc2)[C@@H]1C ZINC000309390558 633005664 /nfs/dbraw/zinc/00/56/64/633005664.db2.gz SWTYZQYJOAQFBS-GYSYKLTISA-N 1 2 218.344 3.209 10 0 BGAELO C[C@@H]1C[C@@H](Nc2ccc([NH+](C)C)cc2)[C@@H]1C ZINC000309390565 633005319 /nfs/dbraw/zinc/00/53/19/633005319.db2.gz SWTYZQYJOAQFBS-JTNHKYCSSA-N 1 2 218.344 3.209 10 0 BGAELO C[C@@H]1C[C@@H]([NH2+]c2ccc(N(C)C)cc2)[C@@H]1C ZINC000309390565 633005311 /nfs/dbraw/zinc/00/53/11/633005311.db2.gz SWTYZQYJOAQFBS-JTNHKYCSSA-N 1 2 218.344 3.209 10 0 BGAELO C[C@@H]1C[C@H](Nc2ccc([NH+](C)C)cc2)[C@H]1C ZINC000309390569 633005962 /nfs/dbraw/zinc/00/59/62/633005962.db2.gz SWTYZQYJOAQFBS-SUNKGSAMSA-N 1 2 218.344 3.209 10 0 BGAELO C[C@@H]1C[C@H]([NH2+]c2ccc(N(C)C)cc2)[C@H]1C ZINC000309390569 633005956 /nfs/dbraw/zinc/00/59/56/633005956.db2.gz SWTYZQYJOAQFBS-SUNKGSAMSA-N 1 2 218.344 3.209 10 0 BGAELO C[C@@H]1C[C@@H](Nc2ccc([NH+](C)C)cc2)[C@H]1C ZINC000309390577 633006144 /nfs/dbraw/zinc/00/61/44/633006144.db2.gz SWTYZQYJOAQFBS-UHIISALHSA-N 1 2 218.344 3.209 10 0 BGAELO C[C@@H]1C[C@@H]([NH2+]c2ccc(N(C)C)cc2)[C@H]1C ZINC000309390577 633006140 /nfs/dbraw/zinc/00/61/40/633006140.db2.gz SWTYZQYJOAQFBS-UHIISALHSA-N 1 2 218.344 3.209 10 0 BGAELO FC(F)(F)c1c[nH+]c(NCc2ccsc2)[nH]1 ZINC000309597781 385727756 /nfs/dbraw/zinc/72/77/56/385727756.db2.gz VGIGIYUVEOHPLG-UHFFFAOYSA-N 1 2 247.245 3.102 10 0 BGAELO CC(C)([NH2+][C@@H]1CCc2ccccc21)C(F)F ZINC000309694224 491154626 /nfs/dbraw/zinc/15/46/26/491154626.db2.gz QSAJNHKAFLWAQB-LLVKDONJSA-N 1 2 225.282 3.307 10 0 BGAELO CC(C)([NH2+][C@H]1CCc2ccccc21)C(F)F ZINC000309694225 491154648 /nfs/dbraw/zinc/15/46/48/491154648.db2.gz QSAJNHKAFLWAQB-NSHDSACASA-N 1 2 225.282 3.307 10 0 BGAELO CCC[C@@H]1C[C@H]1Nc1cc[nH+]c(C(C)C)n1 ZINC000309706762 384542457 /nfs/dbraw/zinc/54/24/57/384542457.db2.gz OVHPCWKMFVGZGV-GHMZBOCLSA-N 1 2 219.332 3.201 10 0 BGAELO CCC[C@@H]1C[C@@H]1Nc1cc[nH+]c(C(C)C)n1 ZINC000309706764 384542379 /nfs/dbraw/zinc/54/23/79/384542379.db2.gz OVHPCWKMFVGZGV-MNOVXSKESA-N 1 2 219.332 3.201 10 0 BGAELO CCC[C@H]1C[C@@H]1Nc1cc[nH+]c(C(C)C)n1 ZINC000309706766 384542229 /nfs/dbraw/zinc/54/22/29/384542229.db2.gz OVHPCWKMFVGZGV-QWRGUYRKSA-N 1 2 219.332 3.201 10 0 BGAELO CCC[C@H]1C[C@H]1Nc1cc[nH+]c(C(C)C)n1 ZINC000309706768 384542606 /nfs/dbraw/zinc/54/26/06/384542606.db2.gz OVHPCWKMFVGZGV-WDEREUQCSA-N 1 2 219.332 3.201 10 0 BGAELO CC1(CNc2[nH]c(C(F)(F)F)c[nH+]2)CCC1 ZINC000309832208 633815155 /nfs/dbraw/zinc/81/51/55/633815155.db2.gz YVIVGSZXODSXIN-UHFFFAOYSA-N 1 2 233.237 3.031 10 0 BGAELO CC[C@@H](Nc1ccc(OC)c[nH+]1)C(C)(C)C ZINC000309990746 491159513 /nfs/dbraw/zinc/15/95/13/491159513.db2.gz AXDYOMNECNUXHI-LLVKDONJSA-N 1 2 222.332 3.327 10 0 BGAELO CC[C@H](Nc1ccc(OC)c[nH+]1)C(C)(C)C ZINC000309990747 491159478 /nfs/dbraw/zinc/15/94/78/491159478.db2.gz AXDYOMNECNUXHI-NSHDSACASA-N 1 2 222.332 3.327 10 0 BGAELO CC[C@@H](Nc1cc[nH+]c(C2CC2)n1)C(C)C ZINC000310020209 347219282 /nfs/dbraw/zinc/21/92/82/347219282.db2.gz MVZDDLWVMUSIGA-LLVKDONJSA-N 1 2 219.332 3.201 10 0 BGAELO CC[C@H](Nc1cc[nH+]c(C2CC2)n1)C(C)C ZINC000310020210 385041739 /nfs/dbraw/zinc/04/17/39/385041739.db2.gz MVZDDLWVMUSIGA-NSHDSACASA-N 1 2 219.332 3.201 10 0 BGAELO COc1ccc([NH2+][C@@H]2CCC2(C)C)c(OC)c1 ZINC000310241912 634101012 /nfs/dbraw/zinc/10/10/12/634101012.db2.gz BSPCHPDOBAGSOY-CYBMUJFWSA-N 1 2 235.327 3.304 10 0 BGAELO COc1ccc([NH2+][C@H]2CCC2(C)C)c(OC)c1 ZINC000310241913 634100397 /nfs/dbraw/zinc/10/03/97/634100397.db2.gz BSPCHPDOBAGSOY-ZDUSSCGKSA-N 1 2 235.327 3.304 10 0 BGAELO C[C@@H](Nc1cccc(-n2cc[nH+]c2)c1)[C@H]1C[C@H]1C ZINC000321056677 387938732 /nfs/dbraw/zinc/93/87/32/387938732.db2.gz HVHBVRZDYALILM-JMSVASOKSA-N 1 2 241.338 3.329 10 0 BGAELO C[C@@H](Nc1cccc(-n2cc[nH+]c2)c1)[C@@H]1C[C@H]1C ZINC000321056678 387939298 /nfs/dbraw/zinc/93/92/98/387939298.db2.gz HVHBVRZDYALILM-LALPHHSUSA-N 1 2 241.338 3.329 10 0 BGAELO C[C@H](Nc1cccc(-n2cc[nH+]c2)c1)[C@@H]1C[C@H]1C ZINC000321056679 387938663 /nfs/dbraw/zinc/93/86/63/387938663.db2.gz HVHBVRZDYALILM-TYNCELHUSA-N 1 2 241.338 3.329 10 0 BGAELO C[C@H](Nc1cccc(-n2cc[nH+]c2)c1)[C@H]1C[C@H]1C ZINC000321056680 387939215 /nfs/dbraw/zinc/93/92/15/387939215.db2.gz HVHBVRZDYALILM-XUJVJEKNSA-N 1 2 241.338 3.329 10 0 BGAELO C[C@@H]([NH2+]c1ccc(-n2cccn2)cc1)[C@H]1C[C@H]1C ZINC000321086122 259468623 /nfs/dbraw/zinc/46/86/23/259468623.db2.gz MPVHUBDTVCBVBD-JMSVASOKSA-N 1 2 241.338 3.329 10 0 BGAELO C[C@@H]([NH2+]c1ccc(-n2cccn2)cc1)[C@@H]1C[C@H]1C ZINC000321086124 259468751 /nfs/dbraw/zinc/46/87/51/259468751.db2.gz MPVHUBDTVCBVBD-LALPHHSUSA-N 1 2 241.338 3.329 10 0 BGAELO C[C@H]([NH2+]c1ccc(-n2cccn2)cc1)[C@@H]1C[C@H]1C ZINC000321086126 387945456 /nfs/dbraw/zinc/94/54/56/387945456.db2.gz MPVHUBDTVCBVBD-TYNCELHUSA-N 1 2 241.338 3.329 10 0 BGAELO C[C@H]([NH2+]c1ccc(-n2cccn2)cc1)[C@H]1C[C@H]1C ZINC000321086127 387946006 /nfs/dbraw/zinc/94/60/06/387946006.db2.gz MPVHUBDTVCBVBD-XUJVJEKNSA-N 1 2 241.338 3.329 10 0 BGAELO CC[C@H](Nc1c[nH+]ccc1C)[C@H]1C[C@@H]1C ZINC000321711160 488150209 /nfs/dbraw/zinc/15/02/09/488150209.db2.gz VFRGDBZPPGWDQI-SRVKXCTJSA-N 1 2 204.317 3.237 10 0 BGAELO CC[C@H](Nc1c[nH+]ccc1C)[C@@H]1C[C@@H]1C ZINC000321711161 488150024 /nfs/dbraw/zinc/15/00/24/488150024.db2.gz VFRGDBZPPGWDQI-TUAOUCFPSA-N 1 2 204.317 3.237 10 0 BGAELO CC[C@H](Nc1c[nH+]ccc1C)[C@@H]1C[C@H]1C ZINC000321711162 488149961 /nfs/dbraw/zinc/14/99/61/488149961.db2.gz VFRGDBZPPGWDQI-UTUOFQBUSA-N 1 2 204.317 3.237 10 0 BGAELO CC[C@H](Nc1c[nH+]ccc1C)[C@H]1C[C@H]1C ZINC000321711163 488150456 /nfs/dbraw/zinc/15/04/56/488150456.db2.gz VFRGDBZPPGWDQI-WOPDTQHZSA-N 1 2 204.317 3.237 10 0 BGAELO CC[C@H](Nc1c[nH+]cc(C)c1)[C@H]1C[C@@H]1C ZINC000321762002 488152123 /nfs/dbraw/zinc/15/21/23/488152123.db2.gz CTLBDDGJHIWAFB-DRZSPHRISA-N 1 2 204.317 3.237 10 0 BGAELO CC[C@H](Nc1c[nH+]cc(C)c1)[C@@H]1C[C@H]1C ZINC000321762003 488152520 /nfs/dbraw/zinc/15/25/20/488152520.db2.gz CTLBDDGJHIWAFB-RTXFEEFZSA-N 1 2 204.317 3.237 10 0 BGAELO CC[C@H](Nc1c[nH+]cc(C)c1)[C@@H]1C[C@@H]1C ZINC000321762004 488152198 /nfs/dbraw/zinc/15/21/98/488152198.db2.gz CTLBDDGJHIWAFB-UHTWSYAYSA-N 1 2 204.317 3.237 10 0 BGAELO CC[C@H](Nc1c[nH+]cc(C)c1)[C@H]1C[C@H]1C ZINC000321762005 488151197 /nfs/dbraw/zinc/15/11/97/488151197.db2.gz CTLBDDGJHIWAFB-WXHSDQCUSA-N 1 2 204.317 3.237 10 0 BGAELO CC[C@H](Nc1ccc[nH+]c1C)[C@H]1C[C@@H]1C ZINC000321894996 488161130 /nfs/dbraw/zinc/16/11/30/488161130.db2.gz MISRWQOKLOVRKP-DLOVCJGASA-N 1 2 204.317 3.237 10 0 BGAELO CC[C@H](Nc1ccc[nH+]c1C)[C@@H]1C[C@H]1C ZINC000321894997 488160852 /nfs/dbraw/zinc/16/08/52/488160852.db2.gz MISRWQOKLOVRKP-JLLWLGSASA-N 1 2 204.317 3.237 10 0 BGAELO CC[C@H](Nc1ccc[nH+]c1C)[C@H]1C[C@H]1C ZINC000321894998 488161143 /nfs/dbraw/zinc/16/11/43/488161143.db2.gz MISRWQOKLOVRKP-USWWRNFRSA-N 1 2 204.317 3.237 10 0 BGAELO CC[C@H](Nc1ccc[nH+]c1C)[C@@H]1C[C@@H]1C ZINC000321894999 488161311 /nfs/dbraw/zinc/16/13/11/488161311.db2.gz MISRWQOKLOVRKP-WCQGTBRESA-N 1 2 204.317 3.237 10 0 BGAELO C[C@@H](Nc1ccc([NH+](C)C)cc1)[C@H]1C[C@H]1C ZINC000322015796 636792045 /nfs/dbraw/zinc/79/20/45/636792045.db2.gz JQKNLWKMXZXXPK-GYSYKLTISA-N 1 2 218.344 3.209 10 0 BGAELO C[C@@H]([NH2+]c1ccc(N(C)C)cc1)[C@H]1C[C@H]1C ZINC000322015796 636792037 /nfs/dbraw/zinc/79/20/37/636792037.db2.gz JQKNLWKMXZXXPK-GYSYKLTISA-N 1 2 218.344 3.209 10 0 BGAELO C[C@@H](Nc1ccc([NH+](C)C)cc1)[C@@H]1C[C@H]1C ZINC000322015799 636791015 /nfs/dbraw/zinc/79/10/15/636791015.db2.gz JQKNLWKMXZXXPK-JTNHKYCSSA-N 1 2 218.344 3.209 10 0 BGAELO C[C@@H]([NH2+]c1ccc(N(C)C)cc1)[C@@H]1C[C@H]1C ZINC000322015799 636791008 /nfs/dbraw/zinc/79/10/08/636791008.db2.gz JQKNLWKMXZXXPK-JTNHKYCSSA-N 1 2 218.344 3.209 10 0 BGAELO C[C@H](Nc1ccc([NH+](C)C)cc1)[C@H]1C[C@H]1C ZINC000322015801 636791552 /nfs/dbraw/zinc/79/15/52/636791552.db2.gz JQKNLWKMXZXXPK-SUNKGSAMSA-N 1 2 218.344 3.209 10 0 BGAELO C[C@H]([NH2+]c1ccc(N(C)C)cc1)[C@H]1C[C@H]1C ZINC000322015801 636791543 /nfs/dbraw/zinc/79/15/43/636791543.db2.gz JQKNLWKMXZXXPK-SUNKGSAMSA-N 1 2 218.344 3.209 10 0 BGAELO C[C@H](Nc1ccc([NH+](C)C)cc1)[C@@H]1C[C@H]1C ZINC000322015803 636791694 /nfs/dbraw/zinc/79/16/94/636791694.db2.gz JQKNLWKMXZXXPK-UHIISALHSA-N 1 2 218.344 3.209 10 0 BGAELO C[C@H]([NH2+]c1ccc(N(C)C)cc1)[C@@H]1C[C@H]1C ZINC000322015803 636791690 /nfs/dbraw/zinc/79/16/90/636791690.db2.gz JQKNLWKMXZXXPK-UHIISALHSA-N 1 2 218.344 3.209 10 0 BGAELO Cc1nc([C@H](C)[NH2+]Cc2cc(C)ccn2)cs1 ZINC000328124994 537824900 /nfs/dbraw/zinc/82/49/00/537824900.db2.gz SUSFBGLBAZYBBE-JTQLQIEISA-N 1 2 247.367 3.006 10 0 BGAELO Cc1nc([C@@H](C)[NH2+]Cc2cc(C)ccn2)cs1 ZINC000328124995 537826503 /nfs/dbraw/zinc/82/65/03/537826503.db2.gz SUSFBGLBAZYBBE-SNVBAGLBSA-N 1 2 247.367 3.006 10 0 BGAELO Cc1cc(NC2C3CC4CC(C3)CC2C4)nc[nH+]1 ZINC000328328604 178152339 /nfs/dbraw/zinc/15/23/39/178152339.db2.gz HKKLLQLVLYXXBY-UHFFFAOYSA-N 1 2 243.354 3.022 10 0 BGAELO Cc1nc(NC2C3CC4CC(C3)CC2C4)cc[nH+]1 ZINC000328338324 180197854 /nfs/dbraw/zinc/19/78/54/180197854.db2.gz LAEXHQZCUARAJI-UHFFFAOYSA-N 1 2 243.354 3.022 10 0 BGAELO CN1C=C2c3cc(Cl)ccc3[NH+]=C2CC1 ZINC000334156956 536328330 /nfs/dbraw/zinc/32/83/30/536328330.db2.gz ZWOBEMHLTDGOHH-UHFFFAOYSA-N 1 2 218.687 3.103 10 0 BGAELO C[C@@H]1CC[N@@H+](CCC(C)(F)F)CC1(F)F ZINC000336263854 176168635 /nfs/dbraw/zinc/16/86/35/176168635.db2.gz FDDCEVZVADPYDP-MRVPVSSYSA-N 1 2 227.245 3.009 10 0 BGAELO C[C@@H]1CC[N@H+](CCC(C)(F)F)CC1(F)F ZINC000336263854 176168634 /nfs/dbraw/zinc/16/86/34/176168634.db2.gz FDDCEVZVADPYDP-MRVPVSSYSA-N 1 2 227.245 3.009 10 0 BGAELO C[C@H]1CC[N@@H+](CCC(C)(F)F)CC1(F)F ZINC000336263855 177158432 /nfs/dbraw/zinc/15/84/32/177158432.db2.gz FDDCEVZVADPYDP-QMMMGPOBSA-N 1 2 227.245 3.009 10 0 BGAELO C[C@H]1CC[N@H+](CCC(C)(F)F)CC1(F)F ZINC000336263855 177158430 /nfs/dbraw/zinc/15/84/30/177158430.db2.gz FDDCEVZVADPYDP-QMMMGPOBSA-N 1 2 227.245 3.009 10 0 BGAELO Cc1nc([C@@H](C)Nc2cccc[nH+]2)cs1 ZINC000336385528 180038234 /nfs/dbraw/zinc/03/82/34/180038234.db2.gz XVCPTFPOTMJUSR-MRVPVSSYSA-N 1 2 219.313 3.020 10 0 BGAELO Cc1nc([C@H](C)Nc2cccc[nH+]2)cs1 ZINC000336385529 180052920 /nfs/dbraw/zinc/05/29/20/180052920.db2.gz XVCPTFPOTMJUSR-QMMMGPOBSA-N 1 2 219.313 3.020 10 0 BGAELO C[C@H]([NH2+][C@@H]1CCCc2[nH]ncc21)c1cccs1 ZINC000336513808 635170169 /nfs/dbraw/zinc/17/01/69/635170169.db2.gz VTMPYOABAKLCCL-GXSJLCMTSA-N 1 2 247.367 3.199 10 0 BGAELO C[C@@H]([NH2+][C@H]1CCCc2[nH]ncc21)c1cccs1 ZINC000336513809 635169633 /nfs/dbraw/zinc/16/96/33/635169633.db2.gz VTMPYOABAKLCCL-KOLCDFICSA-N 1 2 247.367 3.199 10 0 BGAELO C[C@@H]([NH2+][C@@H]1CCCc2[nH]ncc21)c1cccs1 ZINC000336513810 635169746 /nfs/dbraw/zinc/16/97/46/635169746.db2.gz VTMPYOABAKLCCL-MWLCHTKSSA-N 1 2 247.367 3.199 10 0 BGAELO C[C@H]([NH2+][C@H]1CCCc2[nH]ncc21)c1cccs1 ZINC000336513811 635170117 /nfs/dbraw/zinc/17/01/17/635170117.db2.gz VTMPYOABAKLCCL-ONGXEEELSA-N 1 2 247.367 3.199 10 0 BGAELO CC1(C)CCC(C[NH2+]CC(F)(F)F)CC1 ZINC000336660911 388098321 /nfs/dbraw/zinc/09/83/21/388098321.db2.gz BWIGCMPYJZYZMT-UHFFFAOYSA-N 1 2 223.282 3.355 10 0 BGAELO C[C@@H]1C[C@@H]1Nc1[nH+]ccc2ccc(F)cc21 ZINC000336674773 386851409 /nfs/dbraw/zinc/85/14/09/386851409.db2.gz AZPGUUFDQDSPPO-PELKAZGASA-N 1 2 216.259 3.194 10 0 BGAELO C[C@@H]1C[C@H]1Nc1[nH+]ccc2ccc(F)cc21 ZINC000336674775 386849772 /nfs/dbraw/zinc/84/97/72/386849772.db2.gz AZPGUUFDQDSPPO-PRHODGIISA-N 1 2 216.259 3.194 10 0 BGAELO C[C@H]1C[C@H]1Nc1[nH+]ccc2ccc(F)cc21 ZINC000336674777 187393610 /nfs/dbraw/zinc/39/36/10/187393610.db2.gz AZPGUUFDQDSPPO-QPUJVOFHSA-N 1 2 216.259 3.194 10 0 BGAELO C[C@H]1C[C@@H]1Nc1[nH+]ccc2ccc(F)cc21 ZINC000336674779 177350933 /nfs/dbraw/zinc/35/09/33/177350933.db2.gz AZPGUUFDQDSPPO-UFBFGSQYSA-N 1 2 216.259 3.194 10 0 BGAELO Cc1cccc(CC[NH2+]CC(F)(F)C(F)F)c1 ZINC000336699034 179058542 /nfs/dbraw/zinc/05/85/42/179058542.db2.gz KASSBBTVJCTEKN-UHFFFAOYSA-N 1 2 249.251 3.028 10 0 BGAELO C[C@@H]([NH2+]CC1CCC(C)CC1)C(F)(F)F ZINC000336749664 168156292 /nfs/dbraw/zinc/15/62/92/168156292.db2.gz FDUJRNFKQBSADN-HWOCKDDLSA-N 1 2 223.282 3.353 10 0 BGAELO C[C@H]([NH2+]CC1CCC(C)CC1)C(F)(F)F ZINC000336749665 168156918 /nfs/dbraw/zinc/15/69/18/168156918.db2.gz FDUJRNFKQBSADN-KYHHOPLUSA-N 1 2 223.282 3.353 10 0 BGAELO CC/C=C\CCSCc1[nH+]ccn1CC ZINC000342745612 365558791 /nfs/dbraw/zinc/55/87/91/365558791.db2.gz VGUBBSGWLJOYNE-WAYWQWQTSA-N 1 2 224.373 3.493 10 0 BGAELO Cc1cc[nH+]cc1NC[C@@H](C)C(C)(C)C ZINC000379825703 538980477 /nfs/dbraw/zinc/98/04/77/538980477.db2.gz WEXRMADPMMSBHO-LLVKDONJSA-N 1 2 206.333 3.484 10 0 BGAELO Cc1cc[nH+]cc1NC[C@H](C)C(C)(C)C ZINC000379825712 538980193 /nfs/dbraw/zinc/98/01/93/538980193.db2.gz WEXRMADPMMSBHO-NSHDSACASA-N 1 2 206.333 3.484 10 0 BGAELO CC1(C)CCC[C@@H](C[NH2+]CC(F)(F)F)C1 ZINC000379997477 343666357 /nfs/dbraw/zinc/66/63/57/343666357.db2.gz IWIIDWYPISCBRG-SECBINFHSA-N 1 2 223.282 3.355 10 0 BGAELO CC1(C)CCC[C@H](C[NH2+]CC(F)(F)F)C1 ZINC000379997478 343666126 /nfs/dbraw/zinc/66/61/26/343666126.db2.gz IWIIDWYPISCBRG-VIFPVBQESA-N 1 2 223.282 3.355 10 0 BGAELO Cc1cc[nH+]cc1N[C@@H]1CC[C@@H]1C1CCC1 ZINC000381390174 367392463 /nfs/dbraw/zinc/39/24/63/367392463.db2.gz NVRBQCMEHQVOLO-CHWSQXEVSA-N 1 2 216.328 3.381 10 0 BGAELO Cc1cc[nH+]cc1N[C@H]1CC[C@@H]1C1CCC1 ZINC000381390175 367392684 /nfs/dbraw/zinc/39/26/84/367392684.db2.gz NVRBQCMEHQVOLO-OLZOCXBDSA-N 1 2 216.328 3.381 10 0 BGAELO Cc1cc[nH+]cc1N[C@@H]1CC[C@H]1C1CCC1 ZINC000381390177 367392669 /nfs/dbraw/zinc/39/26/69/367392669.db2.gz NVRBQCMEHQVOLO-QWHCGFSZSA-N 1 2 216.328 3.381 10 0 BGAELO Cc1cc[nH+]cc1N[C@H]1CC[C@H]1C1CCC1 ZINC000381390179 367393085 /nfs/dbraw/zinc/39/30/85/367393085.db2.gz NVRBQCMEHQVOLO-STQMWFEESA-N 1 2 216.328 3.381 10 0 BGAELO Cc1cc[nH+]c(NCC[C@@H]2CCCO2)c1Cl ZINC000381565204 539003869 /nfs/dbraw/zinc/00/38/69/539003869.db2.gz SZLWQAPGGYEYGE-JTQLQIEISA-N 1 2 240.734 3.024 10 0 BGAELO Cc1ccc([C@@H](C)[NH2+]Cc2oc(C)nc2C)o1 ZINC000383029936 539011113 /nfs/dbraw/zinc/01/11/13/539011113.db2.gz COKOFEUASRETBL-SECBINFHSA-N 1 2 234.299 3.044 10 0 BGAELO Cc1ccc([C@H](C)[NH2+]Cc2oc(C)nc2C)o1 ZINC000383029941 539011219 /nfs/dbraw/zinc/01/12/19/539011219.db2.gz COKOFEUASRETBL-VIFPVBQESA-N 1 2 234.299 3.044 10 0 BGAELO Cc1cnc([C@@H](C)[NH2+]Cc2cccc(C)c2F)o1 ZINC000384404439 367689261 /nfs/dbraw/zinc/68/92/61/367689261.db2.gz DDPITJPUUDOVCE-LLVKDONJSA-N 1 2 248.301 3.281 10 0 BGAELO Cc1cnc([C@H](C)[NH2+]Cc2cccc(C)c2F)o1 ZINC000384404440 367689020 /nfs/dbraw/zinc/68/90/20/367689020.db2.gz DDPITJPUUDOVCE-NSHDSACASA-N 1 2 248.301 3.281 10 0 BGAELO CCCc1ccccc1-c1c[nH+]c(N)c(C)c1 ZINC000384455999 343145971 /nfs/dbraw/zinc/14/59/71/343145971.db2.gz LCRLPTNEXWMDKD-UHFFFAOYSA-N 1 2 226.323 3.422 10 0 BGAELO Cc1cscc1NCc1c[nH+]cn1C(C)C ZINC000387103506 368050168 /nfs/dbraw/zinc/05/01/68/368050168.db2.gz KCOKPNHRXKNADQ-UHFFFAOYSA-N 1 2 235.356 3.446 10 0 BGAELO Cc1cc[nH+]cc1N[C@H]1CC[C@@H]1C(C)C ZINC000389892176 538866971 /nfs/dbraw/zinc/86/69/71/538866971.db2.gz WQCRYSVHRSPALI-NEPJUHHUSA-N 1 2 204.317 3.237 10 0 BGAELO Cc1cc[nH+]cc1N[C@@H]1CC[C@H]1C(C)C ZINC000389892177 539018602 /nfs/dbraw/zinc/01/86/02/539018602.db2.gz WQCRYSVHRSPALI-NWDGAFQWSA-N 1 2 204.317 3.237 10 0 BGAELO Cc1cc[nH+]cc1N[C@H]1CC[C@H]1C(C)C ZINC000389892178 539018390 /nfs/dbraw/zinc/01/83/90/539018390.db2.gz WQCRYSVHRSPALI-RYUDHWBXSA-N 1 2 204.317 3.237 10 0 BGAELO Cc1cc[nH+]cc1N[C@@H]1CC[C@@H]1C(C)C ZINC000389892179 539018420 /nfs/dbraw/zinc/01/84/20/539018420.db2.gz WQCRYSVHRSPALI-VXGBXAGGSA-N 1 2 204.317 3.237 10 0 BGAELO Clc1sccc1C[NH2+]Cc1ccccn1 ZINC000389924800 537919730 /nfs/dbraw/zinc/91/97/30/537919730.db2.gz VGANCCBVWRDUTE-UHFFFAOYSA-N 1 2 238.743 3.086 10 0 BGAELO Cc1cc[nH+]cc1N[C@@H]1CS[C@H](C(C)C)C1 ZINC000390132230 347255624 /nfs/dbraw/zinc/25/56/24/347255624.db2.gz KJGFXMKUBPGPRS-AAEUAGOBSA-N 1 2 236.384 3.332 10 0 BGAELO Cc1cc[nH+]cc1N[C@H]1CS[C@@H](C(C)C)C1 ZINC000390132256 347255062 /nfs/dbraw/zinc/25/50/62/347255062.db2.gz KJGFXMKUBPGPRS-DGCLKSJQSA-N 1 2 236.384 3.332 10 0 BGAELO Cc1cc[nH+]cc1N[C@@H]1CS[C@@H](C(C)C)C1 ZINC000390132258 322993392 /nfs/dbraw/zinc/99/33/92/322993392.db2.gz KJGFXMKUBPGPRS-WCQYABFASA-N 1 2 236.384 3.332 10 0 BGAELO Cc1cc[nH+]cc1N[C@H]1CS[C@H](C(C)C)C1 ZINC000390132259 347255532 /nfs/dbraw/zinc/25/55/32/347255532.db2.gz KJGFXMKUBPGPRS-YPMHNXCESA-N 1 2 236.384 3.332 10 0 BGAELO Cc1cc[nH+]cc1N[C@H](C)[C@H]1CC1(C)C ZINC000393608848 388435113 /nfs/dbraw/zinc/43/51/13/388435113.db2.gz RHZQNTPUAPCARK-GHMZBOCLSA-N 1 2 204.317 3.237 10 0 BGAELO Cc1cc[nH+]cc1N[C@H](C)[C@@H]1CC1(C)C ZINC000393608852 388435432 /nfs/dbraw/zinc/43/54/32/388435432.db2.gz RHZQNTPUAPCARK-MNOVXSKESA-N 1 2 204.317 3.237 10 0 BGAELO Cc1cc[nH+]cc1N[C@@H](C)[C@@H]1CC1(C)C ZINC000393609126 259358108 /nfs/dbraw/zinc/35/81/08/259358108.db2.gz RHZQNTPUAPCARK-QWRGUYRKSA-N 1 2 204.317 3.237 10 0 BGAELO Cc1cc[nH+]cc1N[C@@H](C)[C@H]1CC1(C)C ZINC000393609127 259358177 /nfs/dbraw/zinc/35/81/77/259358177.db2.gz RHZQNTPUAPCARK-WDEREUQCSA-N 1 2 204.317 3.237 10 0 BGAELO CC[C@H]([NH2+][C@@H](C)C(F)(F)F)[C@@H]1CC1(C)C ZINC000397673852 262929220 /nfs/dbraw/zinc/92/92/20/262929220.db2.gz JZYOBJKNRVCMTO-CIUDSAMLSA-N 1 2 223.282 3.352 10 0 BGAELO CC[C@H]([NH2+][C@H](C)C(F)(F)F)[C@H]1CC1(C)C ZINC000397674321 262928846 /nfs/dbraw/zinc/92/88/46/262928846.db2.gz JZYOBJKNRVCMTO-HLTSFMKQSA-N 1 2 223.282 3.352 10 0 BGAELO CC[C@H]([NH2+][C@H](C)C(F)(F)F)[C@@H]1CC1(C)C ZINC000397674323 398121420 /nfs/dbraw/zinc/12/14/20/398121420.db2.gz JZYOBJKNRVCMTO-VGMNWLOBSA-N 1 2 223.282 3.352 10 0 BGAELO CC[C@H]([NH2+][C@@H](C)C(F)(F)F)[C@H]1CC1(C)C ZINC000397674325 398121249 /nfs/dbraw/zinc/12/12/49/398121249.db2.gz JZYOBJKNRVCMTO-YIZRAAEISA-N 1 2 223.282 3.352 10 0 BGAELO Cc1ccc([C@@H](C)[NH2+]Cc2csnn2)cc1C ZINC000398445109 634361911 /nfs/dbraw/zinc/36/19/11/634361911.db2.gz AOOYVSAGHGAKCV-LLVKDONJSA-N 1 2 247.367 3.006 10 0 BGAELO Cc1ccc([C@H](C)[NH2+]Cc2csnn2)cc1C ZINC000398445111 634362711 /nfs/dbraw/zinc/36/27/11/634362711.db2.gz AOOYVSAGHGAKCV-NSHDSACASA-N 1 2 247.367 3.006 10 0 BGAELO Cc1nc([C@H](C)[NH2+]Cc2ccc(C)cn2)cs1 ZINC000400825155 490569103 /nfs/dbraw/zinc/56/91/03/490569103.db2.gz ALDZQDSTUFNLLQ-JTQLQIEISA-N 1 2 247.367 3.006 10 0 BGAELO Cc1nc([C@@H](C)[NH2+]Cc2ccc(C)cn2)cs1 ZINC000400825160 490568759 /nfs/dbraw/zinc/56/87/59/490568759.db2.gz ALDZQDSTUFNLLQ-SNVBAGLBSA-N 1 2 247.367 3.006 10 0 BGAELO Cc1c[nH+]c(C)c(NCc2ccccc2)c1 ZINC000404577560 351554698 /nfs/dbraw/zinc/55/46/98/351554698.db2.gz MZFOYGQBLMKAJR-UHFFFAOYSA-N 1 2 212.296 3.311 10 0 BGAELO CCSc1[nH+]cc2cc(Cl)ccn21 ZINC000521399269 386424431 /nfs/dbraw/zinc/42/44/31/386424431.db2.gz YELVOKAJEVAWRI-UHFFFAOYSA-N 1 2 212.705 3.100 10 0 BGAELO CCCn1c(Br)c[nH+]c1C(C)C ZINC000521400799 411212274 /nfs/dbraw/zinc/21/22/74/411212274.db2.gz PMMYKMMYUJDISG-UHFFFAOYSA-N 1 2 231.137 3.179 10 0 BGAELO C[NH+](C)Cc1nc(C2C(C)(C)C2(C)C)cs1 ZINC000536954329 398197950 /nfs/dbraw/zinc/19/79/50/398197950.db2.gz KUAUCVHZAPMKKM-UHFFFAOYSA-N 1 2 238.400 3.354 10 0 BGAELO COc1ccc[nH+]c1N[C@H]1CCc2ccccc21 ZINC000554263184 325711306 /nfs/dbraw/zinc/71/13/06/325711306.db2.gz GXWOJPJMNDUQKW-ZDUSSCGKSA-N 1 2 240.306 3.190 10 0 BGAELO Cc1cscc1NCc1[nH]c(C)c(C)[nH+]1 ZINC000568533266 326364395 /nfs/dbraw/zinc/36/43/95/326364395.db2.gz LCUBQXSTRWPSBT-UHFFFAOYSA-N 1 2 221.329 3.009 10 0 BGAELO COc1cc2cc[nH+]c(C(C)C)c2cc1OC ZINC000575332124 386681114 /nfs/dbraw/zinc/68/11/14/386681114.db2.gz OMPAMPGJHAJJFK-UHFFFAOYSA-N 1 2 231.295 3.375 10 0 BGAELO [NH3+][C@@H](CCF)c1cc(Cl)c(O)c(Cl)c1 ZINC000575438495 387129826 /nfs/dbraw/zinc/12/98/26/387129826.db2.gz JNLXEAZVMYPOMD-QMMMGPOBSA-N 1 2 238.089 3.058 10 0 BGAELO [NH3+][C@H](CCF)c1cc(Cl)c(O)c(Cl)c1 ZINC000575439415 387123008 /nfs/dbraw/zinc/12/30/08/387123008.db2.gz JNLXEAZVMYPOMD-MRVPVSSYSA-N 1 2 238.089 3.058 10 0 BGAELO Brc1cccc2[nH]c3cc[nH+]cc3c21 ZINC000575440645 387135590 /nfs/dbraw/zinc/13/55/90/387135590.db2.gz AQVVGJGWWRZZKM-UHFFFAOYSA-N 1 2 247.095 3.479 10 0 BGAELO Brc1cccc2c3c[nH+]ccc3[nH]c21 ZINC000575440701 387136849 /nfs/dbraw/zinc/13/68/49/387136849.db2.gz PIJJWOBFUYPXKA-UHFFFAOYSA-N 1 2 247.095 3.479 10 0 BGAELO Cc1cc(NC(=O)OC(C)(C)C)c(C)[nH+]c1C ZINC000575601034 387361965 /nfs/dbraw/zinc/36/19/65/387361965.db2.gz GMADUGQCECDFHF-UHFFFAOYSA-N 1 2 236.315 3.354 10 0 BGAELO COc1ccc(-c2ccc3c([nH+]2)NCCC3)cc1 ZINC000575601494 387360290 /nfs/dbraw/zinc/36/02/90/387360290.db2.gz CAZWCHXBTAPJFT-UHFFFAOYSA-N 1 2 240.306 3.115 10 0 BGAELO Cc1ccc(-c2ccc3c([nH+]2)NCCC3)cc1 ZINC000575601525 387359842 /nfs/dbraw/zinc/35/98/42/387359842.db2.gz DKBCWUBYCUKADK-UHFFFAOYSA-N 1 2 224.307 3.415 10 0 BGAELO Cc1cccc(-c2ccc3c([nH+]2)NCCC3)c1 ZINC000575601680 387362637 /nfs/dbraw/zinc/36/26/37/387362637.db2.gz GPAGUGSSQOJLRU-UHFFFAOYSA-N 1 2 224.307 3.415 10 0 BGAELO COc1cccc(-c2ccc3c([nH+]2)NCCC3)c1 ZINC000575602762 387372643 /nfs/dbraw/zinc/37/26/43/387372643.db2.gz UXHQPTIIUPNOSA-UHFFFAOYSA-N 1 2 240.306 3.115 10 0 BGAELO Cc1ccc(C)c(OCCCC[NH+]2CC2)c1C ZINC000584591637 358249484 /nfs/dbraw/zinc/24/94/84/358249484.db2.gz BQMFBTGVDYKOKA-UHFFFAOYSA-N 1 2 233.355 3.086 10 0 BGAELO CC(C)c1ccccc1OCCCC[NH+]1CC1 ZINC000584591817 358250500 /nfs/dbraw/zinc/25/05/00/358250500.db2.gz ODURRIPMROFKGC-UHFFFAOYSA-N 1 2 233.355 3.285 10 0 BGAELO CC(C)[N@H+]1C[C@H]1COc1cccc2ccccc21 ZINC000584591826 358250431 /nfs/dbraw/zinc/25/04/31/358250431.db2.gz RAKRRUHDDYKRSB-MBIQTGHCSA-N 1 2 241.334 3.311 10 0 BGAELO CC(C)[N@@H+]1C[C@H]1COc1cccc2ccccc21 ZINC000584591826 358250428 /nfs/dbraw/zinc/25/04/28/358250428.db2.gz RAKRRUHDDYKRSB-MBIQTGHCSA-N 1 2 241.334 3.311 10 0 BGAELO CC(C)[N@H+]1C[C@@H]1COc1cccc2ccccc21 ZINC000584591827 358250394 /nfs/dbraw/zinc/25/03/94/358250394.db2.gz RAKRRUHDDYKRSB-XPCCGILXSA-N 1 2 241.334 3.311 10 0 BGAELO CC(C)[N@@H+]1C[C@@H]1COc1cccc2ccccc21 ZINC000584591827 358250393 /nfs/dbraw/zinc/25/03/93/358250393.db2.gz RAKRRUHDDYKRSB-XPCCGILXSA-N 1 2 241.334 3.311 10 0 BGAELO Cc1ccccc1OCCCCCC[NH+]1CC1 ZINC000584591857 358250399 /nfs/dbraw/zinc/25/03/99/358250399.db2.gz XYCBSYVOQUUSRW-UHFFFAOYSA-N 1 2 233.355 3.250 10 0 BGAELO CCOC(=O)[C@H]1CC[C@H](c2cccc(C)[nH+]2)CC1 ZINC000584601225 358258351 /nfs/dbraw/zinc/25/83/51/358258351.db2.gz BQSHUVMHXQCORE-JOCQHMNTSA-N 1 2 247.338 3.227 10 0 BGAELO CCOc1cc2c(cc1Cl)C=[NH+][C@H](CC)C2 ZINC000584605626 358264777 /nfs/dbraw/zinc/26/47/77/358264777.db2.gz BZIVXLDABHBAGV-LLVKDONJSA-N 1 2 237.730 3.492 10 0 BGAELO CCOc1cc2c(cc1Cl)C=[NH+][C@@H](CC)C2 ZINC000584605627 358264405 /nfs/dbraw/zinc/26/44/05/358264405.db2.gz BZIVXLDABHBAGV-NSHDSACASA-N 1 2 237.730 3.492 10 0 BGAELO CCCOc1cc2c(cc1OC)C=[NH+][C@H](CC)C2 ZINC000584606132 358265504 /nfs/dbraw/zinc/26/55/04/358265504.db2.gz FRYAJRHPXJQVGL-CYBMUJFWSA-N 1 2 247.338 3.238 10 0 BGAELO CCCOc1cc2c(cc1OC)C=[NH+][C@@H](CC)C2 ZINC000584606133 358265582 /nfs/dbraw/zinc/26/55/82/358265582.db2.gz FRYAJRHPXJQVGL-ZDUSSCGKSA-N 1 2 247.338 3.238 10 0 BGAELO CCOc1cc2c(cc1OCC)C[C@@H](CC)[NH+]=C2 ZINC000584606157 358265371 /nfs/dbraw/zinc/26/53/71/358265371.db2.gz HWRAQXJWEKISSP-CYBMUJFWSA-N 1 2 247.338 3.238 10 0 BGAELO CCOc1cc2c(cc1OCC)C[C@H](CC)[NH+]=C2 ZINC000584606158 358265276 /nfs/dbraw/zinc/26/52/76/358265276.db2.gz HWRAQXJWEKISSP-ZDUSSCGKSA-N 1 2 247.338 3.238 10 0 BGAELO COc1cc2c(cc1OC)C[C@@H](CC(C)C)[NH+]=C2 ZINC000584606195 358265146 /nfs/dbraw/zinc/26/51/46/358265146.db2.gz MEMDBTJOCVZTCG-CYBMUJFWSA-N 1 2 247.338 3.094 10 0 BGAELO COc1cc2c(cc1OC)C[C@H](CC(C)C)[NH+]=C2 ZINC000584606196 358265414 /nfs/dbraw/zinc/26/54/14/358265414.db2.gz MEMDBTJOCVZTCG-ZDUSSCGKSA-N 1 2 247.338 3.094 10 0 BGAELO Fc1ccccc1CC1=[NH+]CCc2ccccc21 ZINC000584606425 358266009 /nfs/dbraw/zinc/26/60/09/358266009.db2.gz PGVZEKLIBNGLMC-UHFFFAOYSA-N 1 2 239.293 3.414 10 0 BGAELO Cc1[nH+]ccc2c1cccc2N1CCCC1 ZINC000584606461 358265947 /nfs/dbraw/zinc/26/59/47/358265947.db2.gz VOMUAGLQRQGVNR-UHFFFAOYSA-N 1 2 212.296 3.143 10 0 BGAELO CCCc1cc2c(cc1OC)C=[NH+][C@@H](CC)C2 ZINC000584606493 358265769 /nfs/dbraw/zinc/26/57/69/358265769.db2.gz YXEISBGIWHLHDX-AWEZNQCLSA-N 1 2 231.339 3.401 10 0 BGAELO CCCc1cc2c(cc1OC)C=[NH+][C@H](CC)C2 ZINC000584606494 358266131 /nfs/dbraw/zinc/26/61/31/358266131.db2.gz YXEISBGIWHLHDX-CQSZACIVSA-N 1 2 231.339 3.401 10 0 BGAELO Brc1ccccc1/C=C\n1cc[nH+]c1 ZINC000584610925 358274570 /nfs/dbraw/zinc/27/45/70/358274570.db2.gz DYEMCWQNJAGAEM-ALCCZGGFSA-N 1 2 249.111 3.274 10 0 BGAELO Brc1ccc(/C=C\n2cc[nH+]c2)cc1 ZINC000584610942 358274493 /nfs/dbraw/zinc/27/44/93/358274493.db2.gz FMZBDAICMIIONR-ALCCZGGFSA-N 1 2 249.111 3.274 10 0 BGAELO Nc1ccc2sc(-c3ccc[nH+]c3N)cc2c1 ZINC000584628211 358297380 /nfs/dbraw/zinc/29/73/80/358297380.db2.gz AWIOCSVGHAIHLG-UHFFFAOYSA-N 1 2 241.319 3.128 10 0 BGAELO c1cc(-c2c[nH+]c3ccccn32)cs1 ZINC000584629989 358299070 /nfs/dbraw/zinc/29/90/70/358299070.db2.gz WGIPCUWPBVBJNI-UHFFFAOYSA-N 1 2 200.266 3.063 10 0 BGAELO Fc1cc(F)c(-c2[nH+]cc3ccccn32)c(F)c1 ZINC000584630194 358299583 /nfs/dbraw/zinc/29/95/83/358299583.db2.gz RJWPJBGCFSTAMV-UHFFFAOYSA-N 1 2 248.207 3.419 10 0 BGAELO Nc1ccccc1-c1c(N)[nH+]cc2ccccc21 ZINC000584632019 358314687 /nfs/dbraw/zinc/31/46/87/358314687.db2.gz HRFNCLJLIXZHNC-UHFFFAOYSA-N 1 2 235.290 3.066 10 0 BGAELO Cc1ccc2c(c1)/C(=C1\CCCN1C)C=[NH+]2 ZINC000584632597 358315202 /nfs/dbraw/zinc/31/52/02/358315202.db2.gz LRDHYNMKWAJVBY-WYMLVPIESA-N 1 2 212.296 3.148 10 0 BGAELO CSc1ccccc1-n1c[nH+]c(C)c1C ZINC000584634479 358318315 /nfs/dbraw/zinc/31/83/15/358318315.db2.gz HPWOKQDKWLRTEY-UHFFFAOYSA-N 1 2 218.325 3.211 10 0 BGAELO Clc1ccc2c(NN3CCCC3)cc[nH+]c2c1 ZINC000584637517 358322764 /nfs/dbraw/zinc/32/27/64/358322764.db2.gz WGMYYSZVCUOANY-UHFFFAOYSA-N 1 2 247.729 3.311 10 0 BGAELO c1ccc2c(c1)C[N@@H+]1CCCC[C@H]1S2 ZINC000584637633 358323494 /nfs/dbraw/zinc/32/34/94/358323494.db2.gz QZXYDSGAVPZDOU-GFCCVEGCSA-N 1 2 205.326 3.104 10 0 BGAELO c1ccc2c(c1)C[N@H+]1CCCC[C@H]1S2 ZINC000584637633 358323490 /nfs/dbraw/zinc/32/34/90/358323490.db2.gz QZXYDSGAVPZDOU-GFCCVEGCSA-N 1 2 205.326 3.104 10 0 BGAELO c1ccc2c(c1)C[N@@H+]1CCCC[C@@H]1S2 ZINC000584637634 358323633 /nfs/dbraw/zinc/32/36/33/358323633.db2.gz QZXYDSGAVPZDOU-LBPRGKRZSA-N 1 2 205.326 3.104 10 0 BGAELO c1ccc2c(c1)C[N@H+]1CCCC[C@@H]1S2 ZINC000584637634 358323632 /nfs/dbraw/zinc/32/36/32/358323632.db2.gz QZXYDSGAVPZDOU-LBPRGKRZSA-N 1 2 205.326 3.104 10 0 BGAELO Fc1cc2c(cc1Cl)[nH+]c1ccccn12 ZINC000584640185 358326293 /nfs/dbraw/zinc/32/62/93/358326293.db2.gz NQVQTQAOFIPWJE-UHFFFAOYSA-N 1 2 220.634 3.280 10 0 BGAELO Nc1[nH+]ccc2nc(C3CCCCC3)sc21 ZINC000584649745 358304182 /nfs/dbraw/zinc/30/41/82/358304182.db2.gz JYAOOXDMGHZHFB-UHFFFAOYSA-N 1 2 233.340 3.152 10 0 BGAELO C[C@@H]1CCCC[C@H]1c1nc2cc[nH+]c(N)c2s1 ZINC000584649769 358304138 /nfs/dbraw/zinc/30/41/38/358304138.db2.gz KVNKXUSARSMWDU-RKDXNWHRSA-N 1 2 247.367 3.398 10 0 BGAELO c1cc(S[NH2+]C2CCCCC2)ccn1 ZINC000584649875 358304638 /nfs/dbraw/zinc/30/46/38/358304638.db2.gz UHTGHEPMONOVMA-UHFFFAOYSA-N 1 2 208.330 3.011 10 0 BGAELO CCOc1ccccc1Oc1cc[nH+]cc1 ZINC000584650814 358305882 /nfs/dbraw/zinc/30/58/82/358305882.db2.gz BMNRQRIKYPHWOX-UHFFFAOYSA-N 1 2 215.252 3.273 10 0 BGAELO Brc1ccc2[nH+]c3ccccn3c2c1 ZINC000584652460 358307636 /nfs/dbraw/zinc/30/76/36/358307636.db2.gz UUJPDSPYADSMDG-UHFFFAOYSA-N 1 2 247.095 3.250 10 0 BGAELO CCS/C(C)=C(/SC)[NH+]1CCCC1 ZINC000584656871 358308361 /nfs/dbraw/zinc/30/83/61/358308361.db2.gz OEDCZCRZGAJUJF-MDZDMXLPSA-N 1 2 217.403 3.387 10 0 BGAELO CN(C)c1[nH+]cc(C2CC2)cc1C(F)(F)F ZINC000584880419 343080792 /nfs/dbraw/zinc/08/07/92/343080792.db2.gz AFMXJCAKOTUCEM-UHFFFAOYSA-N 1 2 230.233 3.044 10 0 BGAELO CNc1[nH+]cc(C2CC2)cc1C(F)(F)F ZINC000584880496 343081301 /nfs/dbraw/zinc/08/13/01/343081301.db2.gz DVLXJGFZIAXYAW-UHFFFAOYSA-N 1 2 216.206 3.020 10 0 BGAELO CNc1c(N)c[nH+]c2c(Cl)c(Cl)ccc12 ZINC000584882417 343084740 /nfs/dbraw/zinc/08/47/40/343084740.db2.gz GOHJAIUXETXYRH-UHFFFAOYSA-N 1 2 242.109 3.166 10 0 BGAELO Cn1c2ccccc2[nH+]c1[C@@H]1CC[C@@H](F)C1 ZINC000606304132 372093167 /nfs/dbraw/zinc/09/31/67/372093167.db2.gz PTOZLLBACMCYHM-NXEZZACHSA-N 1 2 218.275 3.179 10 0 BGAELO Cn1c2ccccc2[nH+]c1[C@H]1CC[C@H](F)C1 ZINC000606304133 372093382 /nfs/dbraw/zinc/09/33/82/372093382.db2.gz PTOZLLBACMCYHM-UWVGGRQHSA-N 1 2 218.275 3.179 10 0 BGAELO Cn1c2ccccc2[nH+]c1[C@H]1CC[C@@H](F)C1 ZINC000606304134 372093182 /nfs/dbraw/zinc/09/31/82/372093182.db2.gz PTOZLLBACMCYHM-VHSXEESVSA-N 1 2 218.275 3.179 10 0 BGAELO Cn1c2ccccc2[nH+]c1[C@@H]1CC[C@H](F)C1 ZINC000606304135 372092882 /nfs/dbraw/zinc/09/28/82/372092882.db2.gz PTOZLLBACMCYHM-ZJUUUORDSA-N 1 2 218.275 3.179 10 0 BGAELO Cc1[nH+]c2ccccc2c(C)c1CCF ZINC000606304307 351562002 /nfs/dbraw/zinc/56/20/02/351562002.db2.gz VRQHDTGVHSAYKP-UHFFFAOYSA-N 1 2 203.260 3.364 10 0 BGAELO F[C@H]1CC[C@@H](c2[nH]c3ccccc3[nH+]2)C1 ZINC000606304398 351563215 /nfs/dbraw/zinc/56/32/15/351563215.db2.gz YGLJZEOSIKZJPK-BDAKNGLRSA-N 1 2 204.248 3.169 10 0 BGAELO F[C@@H]1CC[C@H](c2[nH]c3ccccc3[nH+]2)C1 ZINC000606304399 351563114 /nfs/dbraw/zinc/56/31/14/351563114.db2.gz YGLJZEOSIKZJPK-DTWKUNHWSA-N 1 2 204.248 3.169 10 0 BGAELO F[C@H]1CC[C@H](c2[nH]c3ccccc3[nH+]2)C1 ZINC000606304400 351562798 /nfs/dbraw/zinc/56/27/98/351562798.db2.gz YGLJZEOSIKZJPK-IUCAKERBSA-N 1 2 204.248 3.169 10 0 BGAELO F[C@@H]1CC[C@@H](c2[nH]c3ccccc3[nH+]2)C1 ZINC000606304401 351563120 /nfs/dbraw/zinc/56/31/20/351563120.db2.gz YGLJZEOSIKZJPK-RKDXNWHRSA-N 1 2 204.248 3.169 10 0 BGAELO Cc1[nH+]c2ccccc2n1-c1ccc(O)cc1 ZINC000616220494 369063708 /nfs/dbraw/zinc/06/37/08/369063708.db2.gz PUNWDIZRIJAJQH-UHFFFAOYSA-N 1 2 224.263 3.040 10 0 BGAELO CCn1cc[nH+]c1-c1ccc(C)c(F)c1 ZINC000616571400 348201477 /nfs/dbraw/zinc/20/14/77/348201477.db2.gz DBLRNHBTVCCGQD-UHFFFAOYSA-N 1 2 204.248 3.018 10 0 BGAELO Cc1[nH+]c2ccccc2n1[C@@H]1CCC[C@H]1F ZINC000616581107 349261988 /nfs/dbraw/zinc/26/19/88/349261988.db2.gz FQINZFHPYQBNFK-ZYHUDNBSSA-N 1 2 218.275 3.408 10 0 BGAELO CC(C)N1CC[C@@H](c2c[nH]c[nH+]2)c2ccccc21 ZINC000616585539 349369866 /nfs/dbraw/zinc/36/98/66/349369866.db2.gz GRHUMBMLTLYAND-GFCCVEGCSA-N 1 2 241.338 3.160 10 0 BGAELO CC(C)N1CC[C@@H](n2cc[nH+]c2)c2ccccc21 ZINC000616588418 349492453 /nfs/dbraw/zinc/49/24/53/349492453.db2.gz VZTTTZZCRDNCFW-CQSZACIVSA-N 1 2 241.338 3.091 10 0 BGAELO CC(C)N1c2ccccc2CC[C@@H]1c1[nH]cc[nH+]1 ZINC000616593153 350519892 /nfs/dbraw/zinc/51/98/92/350519892.db2.gz AKRFQDLQGLIKDH-CQSZACIVSA-N 1 2 241.338 3.312 10 0 BGAELO CC(C)N1c2ccccc2CC[C@@H]1c1c[nH]c[nH+]1 ZINC000616596358 350633484 /nfs/dbraw/zinc/63/34/84/350633484.db2.gz SABNMCLRCRONCR-OAHLLOKOSA-N 1 2 241.338 3.312 10 0 BGAELO CC(C)N1c2ccccc2CC[C@@H]1c1c[nH+]c[nH]1 ZINC000616596358 350633480 /nfs/dbraw/zinc/63/34/80/350633480.db2.gz SABNMCLRCRONCR-OAHLLOKOSA-N 1 2 241.338 3.312 10 0 BGAELO FC(F)(F)O[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000616608079 350802848 /nfs/dbraw/zinc/80/28/48/350802848.db2.gz XNSXNOMWLLGOAT-LLVKDONJSA-N 1 2 245.244 3.145 10 0 BGAELO FC(F)(F)O[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000616608079 350802845 /nfs/dbraw/zinc/80/28/45/350802845.db2.gz XNSXNOMWLLGOAT-LLVKDONJSA-N 1 2 245.244 3.145 10 0 BGAELO FC(F)(F)O[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000616608128 350802660 /nfs/dbraw/zinc/80/26/60/350802660.db2.gz XNSXNOMWLLGOAT-NSHDSACASA-N 1 2 245.244 3.145 10 0 BGAELO FC(F)(F)O[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000616608128 350802658 /nfs/dbraw/zinc/80/26/58/350802658.db2.gz XNSXNOMWLLGOAT-NSHDSACASA-N 1 2 245.244 3.145 10 0 BGAELO CC(C)(C)[N@H+]1CCCC[C@@H]1OC(F)(F)F ZINC000616613909 350815193 /nfs/dbraw/zinc/81/51/93/350815193.db2.gz DOOJTKGSNZFJFX-QMMMGPOBSA-N 1 2 225.254 3.133 10 0 BGAELO CC(C)(C)[N@@H+]1CCCC[C@@H]1OC(F)(F)F ZINC000616613909 350815192 /nfs/dbraw/zinc/81/51/92/350815192.db2.gz DOOJTKGSNZFJFX-QMMMGPOBSA-N 1 2 225.254 3.133 10 0 BGAELO CC(C)(C)[N@H+]1CCCC[C@H]1OC(F)(F)F ZINC000616615146 350845596 /nfs/dbraw/zinc/84/55/96/350845596.db2.gz DOOJTKGSNZFJFX-MRVPVSSYSA-N 1 2 225.254 3.133 10 0 BGAELO CC(C)(C)[N@@H+]1CCCC[C@H]1OC(F)(F)F ZINC000616615146 350845593 /nfs/dbraw/zinc/84/55/93/350845593.db2.gz DOOJTKGSNZFJFX-MRVPVSSYSA-N 1 2 225.254 3.133 10 0 BGAELO CC(C)[N@H+]1CCCCC[C@H]1OC(F)(F)F ZINC000616620346 350938419 /nfs/dbraw/zinc/93/84/19/350938419.db2.gz HKLNWZPFHCDTGJ-SECBINFHSA-N 1 2 225.254 3.133 10 0 BGAELO CC(C)[N@@H+]1CCCCC[C@H]1OC(F)(F)F ZINC000616620346 350938418 /nfs/dbraw/zinc/93/84/18/350938418.db2.gz HKLNWZPFHCDTGJ-SECBINFHSA-N 1 2 225.254 3.133 10 0 BGAELO CC(C)[N@H+]1CCCCC[C@@H]1OC(F)(F)F ZINC000616622659 351085264 /nfs/dbraw/zinc/08/52/64/351085264.db2.gz HKLNWZPFHCDTGJ-VIFPVBQESA-N 1 2 225.254 3.133 10 0 BGAELO CC(C)[N@@H+]1CCCCC[C@@H]1OC(F)(F)F ZINC000616622659 351085263 /nfs/dbraw/zinc/08/52/63/351085263.db2.gz HKLNWZPFHCDTGJ-VIFPVBQESA-N 1 2 225.254 3.133 10 0 BGAELO CC(C)[N@H+]1CCOC[C@@H]1c1ccc(Cl)cc1 ZINC000616636982 351131327 /nfs/dbraw/zinc/13/13/27/351131327.db2.gz IRQJPWVMSDGHOC-CYBMUJFWSA-N 1 2 239.746 3.122 10 0 BGAELO CC(C)[N@@H+]1CCOC[C@@H]1c1ccc(Cl)cc1 ZINC000616636982 351131322 /nfs/dbraw/zinc/13/13/22/351131322.db2.gz IRQJPWVMSDGHOC-CYBMUJFWSA-N 1 2 239.746 3.122 10 0 BGAELO CC(C)[N@H+]1CCOC[C@@H]1c1ccccc1Cl ZINC000616638439 351139002 /nfs/dbraw/zinc/13/90/02/351139002.db2.gz SSFNQODZQQUZNY-CYBMUJFWSA-N 1 2 239.746 3.122 10 0 BGAELO CC(C)[N@@H+]1CCOC[C@@H]1c1ccccc1Cl ZINC000616638439 351138997 /nfs/dbraw/zinc/13/89/97/351138997.db2.gz SSFNQODZQQUZNY-CYBMUJFWSA-N 1 2 239.746 3.122 10 0 BGAELO CC(C)[N@H+]1CCOC[C@H]1c1ccc(Cl)cc1 ZINC000616641557 351148448 /nfs/dbraw/zinc/14/84/48/351148448.db2.gz IRQJPWVMSDGHOC-ZDUSSCGKSA-N 1 2 239.746 3.122 10 0 BGAELO CC(C)[N@@H+]1CCOC[C@H]1c1ccc(Cl)cc1 ZINC000616641557 351148447 /nfs/dbraw/zinc/14/84/47/351148447.db2.gz IRQJPWVMSDGHOC-ZDUSSCGKSA-N 1 2 239.746 3.122 10 0 BGAELO CC(C)[N@H+]1CCOC[C@H]1c1ccccc1Cl ZINC000616642030 351152274 /nfs/dbraw/zinc/15/22/74/351152274.db2.gz SSFNQODZQQUZNY-ZDUSSCGKSA-N 1 2 239.746 3.122 10 0 BGAELO CC(C)[N@@H+]1CCOC[C@H]1c1ccccc1Cl ZINC000616642030 351152272 /nfs/dbraw/zinc/15/22/72/351152272.db2.gz SSFNQODZQQUZNY-ZDUSSCGKSA-N 1 2 239.746 3.122 10 0 BGAELO CC(C)N1c2ccccc2CC[C@H]1c1[nH]cc[nH+]1 ZINC000616668586 351227256 /nfs/dbraw/zinc/22/72/56/351227256.db2.gz AKRFQDLQGLIKDH-AWEZNQCLSA-N 1 2 241.338 3.312 10 0 BGAELO CC(C)N1c2ccccc2CC[C@H]1c1c[nH]c[nH+]1 ZINC000616671192 351231905 /nfs/dbraw/zinc/23/19/05/351231905.db2.gz SABNMCLRCRONCR-HNNXBMFYSA-N 1 2 241.338 3.312 10 0 BGAELO CC(C)N1c2ccccc2CC[C@H]1c1c[nH+]c[nH]1 ZINC000616671192 351231901 /nfs/dbraw/zinc/23/19/01/351231901.db2.gz SABNMCLRCRONCR-HNNXBMFYSA-N 1 2 241.338 3.312 10 0 BGAELO CN1CC[C@@H](Nc2cccc[nH+]2)c2ccccc21 ZINC000616673752 351237999 /nfs/dbraw/zinc/23/79/99/351237999.db2.gz ZOJDJACLBULBLR-CYBMUJFWSA-N 1 2 239.322 3.075 10 0 BGAELO CC(C)N1CC[C@H](c2c[nH]c[nH+]2)c2ccccc21 ZINC000616674960 351242268 /nfs/dbraw/zinc/24/22/68/351242268.db2.gz GRHUMBMLTLYAND-LBPRGKRZSA-N 1 2 241.338 3.160 10 0 BGAELO CC(C)N1CC[C@H](n2cc[nH+]c2)c2ccccc21 ZINC000616676449 351241102 /nfs/dbraw/zinc/24/11/02/351241102.db2.gz VZTTTZZCRDNCFW-AWEZNQCLSA-N 1 2 241.338 3.091 10 0 BGAELO CN1CC[C@H](Nc2cccc[nH+]2)c2ccccc21 ZINC000616676995 351241626 /nfs/dbraw/zinc/24/16/26/351241626.db2.gz ZOJDJACLBULBLR-ZDUSSCGKSA-N 1 2 239.322 3.075 10 0 BGAELO CC(C)[N@H+]1CCc2ccccc2[C@@H]1C(F)F ZINC000616679426 351250605 /nfs/dbraw/zinc/25/06/05/351250605.db2.gz VKSSGAILNKQGEV-GFCCVEGCSA-N 1 2 225.282 3.259 10 0 BGAELO CC(C)[N@@H+]1CCc2ccccc2[C@@H]1C(F)F ZINC000616679426 351250602 /nfs/dbraw/zinc/25/06/02/351250602.db2.gz VKSSGAILNKQGEV-GFCCVEGCSA-N 1 2 225.282 3.259 10 0 BGAELO CC(C)[N@H+]1CCc2ccccc2[C@H]1C(F)F ZINC000616679519 351250258 /nfs/dbraw/zinc/25/02/58/351250258.db2.gz VKSSGAILNKQGEV-LBPRGKRZSA-N 1 2 225.282 3.259 10 0 BGAELO CC(C)[N@@H+]1CCc2ccccc2[C@H]1C(F)F ZINC000616679519 351250255 /nfs/dbraw/zinc/25/02/55/351250255.db2.gz VKSSGAILNKQGEV-LBPRGKRZSA-N 1 2 225.282 3.259 10 0 BGAELO Cc1cnc([C@@H](C)[NH2+]Cc2ccc(C)cc2F)o1 ZINC000631125180 351269572 /nfs/dbraw/zinc/26/95/72/351269572.db2.gz AOKFBPRIYJYGEB-LLVKDONJSA-N 1 2 248.301 3.281 10 0 BGAELO Cc1cnc([C@H](C)[NH2+]Cc2ccc(C)cc2F)o1 ZINC000631125181 351269734 /nfs/dbraw/zinc/26/97/34/351269734.db2.gz AOKFBPRIYJYGEB-NSHDSACASA-N 1 2 248.301 3.281 10 0 BGAELO CCC(F)(F)C[NH2+][C@@H]1CCc2c1cccc2O ZINC000639660205 356569630 /nfs/dbraw/zinc/56/96/30/356569630.db2.gz UBZMKJRHFZAAOV-LLVKDONJSA-N 1 2 241.281 3.014 10 0 BGAELO CCC(F)(F)C[NH2+][C@H]1CCc2c1cccc2O ZINC000639660207 356569602 /nfs/dbraw/zinc/56/96/02/356569602.db2.gz UBZMKJRHFZAAOV-NSHDSACASA-N 1 2 241.281 3.014 10 0 BGAELO Cc1cc[nH+]cc1NC1CCC(F)(F)CC1 ZINC000647297571 384957234 /nfs/dbraw/zinc/95/72/34/384957234.db2.gz MEDBZTKGMQUAOG-UHFFFAOYSA-N 1 2 226.270 3.380 10 0 BGAELO Cc1cc[nH+]cc1N[C@@H]1CC[C@@H](C)SC1 ZINC000655746185 411448432 /nfs/dbraw/zinc/44/84/32/411448432.db2.gz PFJOTSRQCCXASG-GHMZBOCLSA-N 1 2 222.357 3.086 10 0 BGAELO Cc1cc[nH+]cc1N[C@H]1CC[C@@H](C)SC1 ZINC000655746186 411447955 /nfs/dbraw/zinc/44/79/55/411447955.db2.gz PFJOTSRQCCXASG-MNOVXSKESA-N 1 2 222.357 3.086 10 0 BGAELO Cc1cc[nH+]cc1N[C@H]1CC[C@H](C)SC1 ZINC000655746187 411448541 /nfs/dbraw/zinc/44/85/41/411448541.db2.gz PFJOTSRQCCXASG-QWRGUYRKSA-N 1 2 222.357 3.086 10 0 BGAELO Cc1cc[nH+]cc1N[C@@H]1CC[C@H](C)SC1 ZINC000655746188 411448460 /nfs/dbraw/zinc/44/84/60/411448460.db2.gz PFJOTSRQCCXASG-WDEREUQCSA-N 1 2 222.357 3.086 10 0 BGAELO Cc1cscc1NCc1[nH+]ccn1C(C)C ZINC000657413540 411499879 /nfs/dbraw/zinc/49/98/79/411499879.db2.gz XNWWQERGYBFHHY-UHFFFAOYSA-N 1 2 235.356 3.446 10 0 BGAELO Cc1cc[nH+]cc1N[C@@H]1CCCSCC1 ZINC000657952443 411179913 /nfs/dbraw/zinc/17/99/13/411179913.db2.gz LEXKOAQCVHKMQY-LLVKDONJSA-N 1 2 222.357 3.088 10 0 BGAELO Cc1cc[nH+]cc1N[C@H]1CCCSCC1 ZINC000657952444 411179945 /nfs/dbraw/zinc/17/99/45/411179945.db2.gz LEXKOAQCVHKMQY-NSHDSACASA-N 1 2 222.357 3.088 10 0 BGAELO CCOC1CCC(Nc2c[nH+]ccc2C)CC1 ZINC000657954474 411180115 /nfs/dbraw/zinc/18/01/15/411180115.db2.gz VCNOEBMGZPYING-UHFFFAOYSA-N 1 2 234.343 3.150 10 0 BGAELO Cc1nc(C[NH2+][C@@H](C)c2ccc(C)c(F)c2)co1 ZINC000660204696 411553017 /nfs/dbraw/zinc/55/30/17/411553017.db2.gz NLJJQBIQNIKNFE-JTQLQIEISA-N 1 2 248.301 3.281 10 0 BGAELO Cc1c(N)c[nH+]cc1-c1cccc(Cl)c1F ZINC000669379481 537979909 /nfs/dbraw/zinc/97/99/09/537979909.db2.gz CTYIHHRNRHQPMG-UHFFFAOYSA-N 1 2 236.677 3.432 10 0 BGAELO CCNc1ccc(-c2[nH+]ccn2CC)cc1 ZINC000669379794 537982290 /nfs/dbraw/zinc/98/22/90/537982290.db2.gz DJERQXMIGJFAMN-UHFFFAOYSA-N 1 2 215.300 3.002 10 0 BGAELO CCNc1ccc(-c2cc[nH+]c(C)c2)cc1 ZINC000669380479 537990473 /nfs/dbraw/zinc/99/04/73/537990473.db2.gz ODCJVEOKDGNVGV-UHFFFAOYSA-N 1 2 212.296 3.489 10 0 BGAELO Cc1c(N)c[nH+]cc1-c1ccc(Cl)cc1F ZINC000669381108 566424594 /nfs/dbraw/zinc/42/45/94/566424594.db2.gz YDUZYRBHVDPFCE-UHFFFAOYSA-N 1 2 236.677 3.432 10 0 BGAELO Cc1c(N)c[nH+]cc1-c1ccc(F)c(Cl)c1 ZINC000669381153 537993822 /nfs/dbraw/zinc/99/38/22/537993822.db2.gz ZUKUVHKZCNKQBV-UHFFFAOYSA-N 1 2 236.677 3.432 10 0 BGAELO Cc1c(N)c[nH+]cc1-c1cc(Cl)ccc1F ZINC000669381160 537995439 /nfs/dbraw/zinc/99/54/39/537995439.db2.gz ZZSAMRDWAZMOOH-UHFFFAOYSA-N 1 2 236.677 3.432 10 0 BGAELO CCc1ccccc1-c1c[nH+]cc(N)c1C ZINC000669384817 538018209 /nfs/dbraw/zinc/01/82/09/538018209.db2.gz HOCWLGJVMBVTOQ-UHFFFAOYSA-N 1 2 212.296 3.202 10 0 BGAELO Cc1ccc(-c2c[nH+]cc(N)c2C)cc1F ZINC000669384885 538018113 /nfs/dbraw/zinc/01/81/13/538018113.db2.gz LOZBPKOQMGQTJI-UHFFFAOYSA-N 1 2 216.259 3.087 10 0 BGAELO Cc1cc(F)ccc1-c1c[nH+]cc(N)c1C ZINC000675056196 538477666 /nfs/dbraw/zinc/47/76/66/538477666.db2.gz LNHFQXTTZVLMPL-UHFFFAOYSA-N 1 2 216.259 3.087 10 0 BGAELO Cc1cc(-c2nc(C(C)C)cs2)cc(N)[nH+]1 ZINC000675080980 538521709 /nfs/dbraw/zinc/52/17/09/538521709.db2.gz YRHMJONWCKJNGP-UHFFFAOYSA-N 1 2 233.340 3.219 10 0 BGAELO Fc1c[nH+]ccc1N[C@H]1CCCc2ccccc21 ZINC000678786380 488282715 /nfs/dbraw/zinc/28/27/15/488282715.db2.gz KFHYYQOSKAQKGE-AWEZNQCLSA-N 1 2 242.297 3.132 10 0 BGAELO Fc1c[nH+]ccc1N[C@@H]1CCCc2ccccc21 ZINC000678786381 488282661 /nfs/dbraw/zinc/28/26/61/488282661.db2.gz KFHYYQOSKAQKGE-CQSZACIVSA-N 1 2 242.297 3.132 10 0 BGAELO CCc1ccc([C@@H](C)Nc2cc[nH+]cc2F)cc1 ZINC000678788232 488283482 /nfs/dbraw/zinc/28/34/82/488283482.db2.gz FVXFZQQUKZLLLL-LLVKDONJSA-N 1 2 244.313 3.378 10 0 BGAELO CCc1ccc([C@H](C)Nc2cc[nH+]cc2F)cc1 ZINC000678788233 488283206 /nfs/dbraw/zinc/28/32/06/488283206.db2.gz FVXFZQQUKZLLLL-NSHDSACASA-N 1 2 244.313 3.378 10 0 BGAELO Cc1ccccc1[C@@H](C)Nc1cc[nH+]cc1F ZINC000678788680 488283127 /nfs/dbraw/zinc/28/31/27/488283127.db2.gz MPIUFGBTSVTKFT-LLVKDONJSA-N 1 2 230.286 3.124 10 0 BGAELO Cc1ccccc1[C@H](C)Nc1cc[nH+]cc1F ZINC000678788681 488283478 /nfs/dbraw/zinc/28/34/78/488283478.db2.gz MPIUFGBTSVTKFT-NSHDSACASA-N 1 2 230.286 3.124 10 0 BGAELO Nc1cccc(-c2cccc3occc32)[nH+]1 ZINC000685947844 538889867 /nfs/dbraw/zinc/88/98/67/538889867.db2.gz QVWPNGSQEBFHKX-UHFFFAOYSA-N 1 2 210.236 3.077 10 0 BGAELO Clc1sccc1[C@H]1[NH2+]CCc2ccoc21 ZINC000701330395 582916376 /nfs/dbraw/zinc/91/63/76/582916376.db2.gz BHIDFKLTCHCXRL-SECBINFHSA-N 1 2 239.727 3.230 10 0 BGAELO Clc1sccc1[C@@H]1[NH2+]CCc2ccoc21 ZINC000701330403 582916341 /nfs/dbraw/zinc/91/63/41/582916341.db2.gz BHIDFKLTCHCXRL-VIFPVBQESA-N 1 2 239.727 3.230 10 0 BGAELO CCC(C)(C)C1CCC2(CC1)C(=O)CC[N@@H+]2C ZINC000712172251 566258696 /nfs/dbraw/zinc/25/86/96/566258696.db2.gz RGVRBFKMWAONKG-UHFFFAOYSA-N 1 2 237.387 3.256 10 0 BGAELO CCC(C)(C)C1CCC2(CC1)C(=O)CC[N@H+]2C ZINC000712172251 566258682 /nfs/dbraw/zinc/25/86/82/566258682.db2.gz RGVRBFKMWAONKG-UHFFFAOYSA-N 1 2 237.387 3.256 10 0 BGAELO Cc1conc1C[NH2+][C@H](C)c1ccc(C)c(F)c1 ZINC000720346358 712832282 /nfs/dbraw/zinc/83/22/82/712832282.db2.gz ZLHPWROCIUHQLW-LLVKDONJSA-N 1 2 248.301 3.281 10 0 BGAELO Cc1conc1C[NH2+][C@@H](C)c1ccc(C)c(F)c1 ZINC000720346359 712832421 /nfs/dbraw/zinc/83/24/21/712832421.db2.gz ZLHPWROCIUHQLW-NSHDSACASA-N 1 2 248.301 3.281 10 0 BGAELO CCOc1ccc(-c2c[nH+]cc(N)c2C)cc1 ZINC000722750256 537930190 /nfs/dbraw/zinc/93/01/90/537930190.db2.gz AKFXQLFPOLYPKP-UHFFFAOYSA-N 1 2 228.295 3.038 10 0 BGAELO Cc1c(N)c[nH+]cc1-c1c(F)cccc1Cl ZINC000722752753 537929832 /nfs/dbraw/zinc/92/98/32/537929832.db2.gz SQWZUAYLNMKWLY-UHFFFAOYSA-N 1 2 236.677 3.432 10 0 BGAELO Cc1c(N)c[nH+]cc1-c1ccc(F)c(F)c1F ZINC000722754222 537928892 /nfs/dbraw/zinc/92/88/92/537928892.db2.gz MAYFWWYAJURFGY-UHFFFAOYSA-N 1 2 238.212 3.057 10 0 BGAELO C=Cc1ccc(-c2c[nH+]cc(N)c2C)cc1 ZINC000725241501 541329679 /nfs/dbraw/zinc/32/96/79/541329679.db2.gz VQOWVXOGTNORMM-UHFFFAOYSA-N 1 2 210.280 3.282 10 0 BGAELO CCCc1c[nH+]c2c(Br)cccn12 ZINC000725241584 541329740 /nfs/dbraw/zinc/32/97/40/541329740.db2.gz IMJPDPDDORRXFA-UHFFFAOYSA-N 1 2 239.116 3.049 10 0 BGAELO CNc1cccc(-c2c[nH+]cn2C(C)C)c1 ZINC000725245516 538000581 /nfs/dbraw/zinc/00/05/81/538000581.db2.gz JUYHYCWNYDQEGX-UHFFFAOYSA-N 1 2 215.300 3.173 10 0 BGAELO COc1ccc(-c2c[nH+]cn2C(C)C)c(OC)c1 ZINC000725246012 538005026 /nfs/dbraw/zinc/00/50/26/538005026.db2.gz OQKSDHVXYBUZAX-UHFFFAOYSA-N 1 2 246.310 3.148 10 0 BGAELO Cc1[nH+]c[nH]c1CSCC[Si](C)(C)C ZINC000725246267 538007387 /nfs/dbraw/zinc/00/73/87/538007387.db2.gz SCYUJJZZSBMSTE-UHFFFAOYSA-N 1 2 228.437 3.290 10 0 BGAELO CC(C)n1c[nH+]cc1-c1ccc2c(c1)CCC2=O ZINC000725246381 538006113 /nfs/dbraw/zinc/00/61/13/538006113.db2.gz XKZZBZQUKWDTHO-UHFFFAOYSA-N 1 2 240.306 3.260 10 0 BGAELO Cc1cc(-c2c[nH+]cn2C(C)C)cnc1Cl ZINC000725246383 538007271 /nfs/dbraw/zinc/00/72/71/538007271.db2.gz XMIQTPMUSKLEQF-UHFFFAOYSA-N 1 2 235.718 3.488 10 0 BGAELO CC(C)n1c[nH+]cc1-c1ccc(Cl)nc1 ZINC000725246398 538007046 /nfs/dbraw/zinc/00/70/46/538007046.db2.gz YTWXUPDCQYJDSW-UHFFFAOYSA-N 1 2 221.691 3.179 10 0 BGAELO Cc1c(N)c[nH+]cc1-c1cccc2occc21 ZINC000725263329 538089344 /nfs/dbraw/zinc/08/93/44/538089344.db2.gz KMSKZHADWOXEAY-UHFFFAOYSA-N 1 2 224.263 3.385 10 0 BGAELO CC(C)CC[C@H]1CC(=O)C[N@H+]1Cc1ccccc1 ZINC000725273245 538104752 /nfs/dbraw/zinc/10/47/52/538104752.db2.gz YJTYBVZJAOFZLR-HNNXBMFYSA-N 1 2 245.366 3.266 10 0 BGAELO CC(C)CC[C@H]1CC(=O)C[N@@H+]1Cc1ccccc1 ZINC000725273245 538104751 /nfs/dbraw/zinc/10/47/51/538104751.db2.gz YJTYBVZJAOFZLR-HNNXBMFYSA-N 1 2 245.366 3.266 10 0 BGAELO CC(C)CC[C@@H]1CC(=O)C[N@H+]1Cc1ccccc1 ZINC000725273246 538104744 /nfs/dbraw/zinc/10/47/44/538104744.db2.gz YJTYBVZJAOFZLR-OAHLLOKOSA-N 1 2 245.366 3.266 10 0 BGAELO CC(C)CC[C@@H]1CC(=O)C[N@@H+]1Cc1ccccc1 ZINC000725273246 538104743 /nfs/dbraw/zinc/10/47/43/538104743.db2.gz YJTYBVZJAOFZLR-OAHLLOKOSA-N 1 2 245.366 3.266 10 0 BGAELO C[N@H+]1CCc2cc(NCc3cccs3)ccc21 ZINC000757125627 582499844 /nfs/dbraw/zinc/49/98/44/582499844.db2.gz FELKQBLSNBFZBT-UHFFFAOYSA-N 1 2 244.363 3.353 10 0 BGAELO C[N@@H+]1CCc2cc(NCc3cccs3)ccc21 ZINC000757125627 582499842 /nfs/dbraw/zinc/49/98/42/582499842.db2.gz FELKQBLSNBFZBT-UHFFFAOYSA-N 1 2 244.363 3.353 10 0 BGAELO C[C@@H](Nc1ccc2c(c1)CC[N@@H+]2C)C(F)(F)F ZINC000757129590 582503955 /nfs/dbraw/zinc/50/39/55/582503955.db2.gz LYYYQTYCHIGDTD-MRVPVSSYSA-N 1 2 244.260 3.042 10 0 BGAELO C[C@@H](Nc1ccc2c(c1)CC[N@H+]2C)C(F)(F)F ZINC000757129590 582503953 /nfs/dbraw/zinc/50/39/53/582503953.db2.gz LYYYQTYCHIGDTD-MRVPVSSYSA-N 1 2 244.260 3.042 10 0 BGAELO C[C@H](Nc1ccc2c(c1)CC[N@@H+]2C)C(F)(F)F ZINC000757129595 582503835 /nfs/dbraw/zinc/50/38/35/582503835.db2.gz LYYYQTYCHIGDTD-QMMMGPOBSA-N 1 2 244.260 3.042 10 0 BGAELO C[C@H](Nc1ccc2c(c1)CC[N@H+]2C)C(F)(F)F ZINC000757129595 582503833 /nfs/dbraw/zinc/50/38/33/582503833.db2.gz LYYYQTYCHIGDTD-QMMMGPOBSA-N 1 2 244.260 3.042 10 0 BGAELO CCCCC[NH2+]c1ccc2c(c1)CCN2C ZINC000757130922 582504667 /nfs/dbraw/zinc/50/46/67/582504667.db2.gz ONPJVWSZASCDAK-UHFFFAOYSA-N 1 2 218.344 3.281 10 0 BGAELO CC(C)(C)[C@@H]([NH3+])c1cc(Cl)c(O)cc1F ZINC000757133790 586426961 /nfs/dbraw/zinc/42/69/61/586426961.db2.gz XSDTXKFRWOPEJU-JTQLQIEISA-N 1 2 231.698 3.231 10 0 BGAELO CC(C)(C)[C@H]([NH3+])c1cc(Cl)c(O)cc1F ZINC000757133797 582510335 /nfs/dbraw/zinc/51/03/35/582510335.db2.gz XSDTXKFRWOPEJU-SNVBAGLBSA-N 1 2 231.698 3.231 10 0 BGAELO CC(C)(C)C1CCC2(CC1)[NH2+]CC(F)(F)CO2 ZINC000757145244 582526932 /nfs/dbraw/zinc/52/69/32/582526932.db2.gz ICRFXTZRJUHKSD-UHFFFAOYSA-N 1 2 247.329 3.174 10 0 BGAELO CC(C)C[C@H]([NH3+])c1cc(Cl)c(O)cc1F ZINC000757147556 582532320 /nfs/dbraw/zinc/53/23/20/582532320.db2.gz XSAJCRQKLXIBRA-JTQLQIEISA-N 1 2 231.698 3.231 10 0 BGAELO CC(C)C[C@@H]([NH3+])c1cc(Cl)c(O)cc1F ZINC000757147558 582532140 /nfs/dbraw/zinc/53/21/40/582532140.db2.gz XSAJCRQKLXIBRA-SNVBAGLBSA-N 1 2 231.698 3.231 10 0 BGAELO Cc1cc(C[NH2+][C@H](C)C(F)F)ccc1Cl ZINC000757154020 586429720 /nfs/dbraw/zinc/42/97/20/586429720.db2.gz UOEDRPXJAHTCCT-MRVPVSSYSA-N 1 2 233.689 3.392 10 0 BGAELO Cc1cc(C[NH2+][C@@H](C)C(F)F)ccc1Cl ZINC000757154021 586429330 /nfs/dbraw/zinc/42/93/30/586429330.db2.gz UOEDRPXJAHTCCT-QMMMGPOBSA-N 1 2 233.689 3.392 10 0 BGAELO Nc1ccc(SCc2ccc(Cl)o2)c[nH+]1 ZINC000757166352 582547425 /nfs/dbraw/zinc/54/74/25/582547425.db2.gz SUJROVQQQQVXAT-UHFFFAOYSA-N 1 2 240.715 3.203 10 0 BGAELO Nc1cc(SCc2ccc(Cl)o2)cc[nH+]1 ZINC000757168722 582550271 /nfs/dbraw/zinc/55/02/71/582550271.db2.gz CPVHZQNOBIWDEF-UHFFFAOYSA-N 1 2 240.715 3.203 10 0 BGAELO CC(C)Nc1[nH+]c(CC2CCC2)nc2[nH]ccc21 ZINC000757564210 586253797 /nfs/dbraw/zinc/25/37/97/586253797.db2.gz CFQGIFPAMXEJRM-UHFFFAOYSA-N 1 2 244.342 3.121 10 0 BGAELO CC(C)Nc1[nH+]c(C(C)(C)C)nc2[nH]ccc21 ZINC000757565887 586290563 /nfs/dbraw/zinc/29/05/63/586290563.db2.gz IYRBKESLDUJKAD-UHFFFAOYSA-N 1 2 232.331 3.076 10 0 BGAELO CC(C)Nc1[nH+]c(C2CCCC2)nc2[nH]ccc21 ZINC000757565917 586461561 /nfs/dbraw/zinc/46/15/61/586461561.db2.gz JGXSXGQKAOIJJS-UHFFFAOYSA-N 1 2 244.342 3.436 10 0 BGAELO CC[C@@H](C)c1nc2[nH]ccc2c(NC(C)C)[nH+]1 ZINC000757565926 586461832 /nfs/dbraw/zinc/46/18/32/586461832.db2.gz JLQCSLRHADQLBB-SECBINFHSA-N 1 2 232.331 3.292 10 0 BGAELO CC[C@H](C)c1nc2[nH]ccc2c(NC(C)C)[nH+]1 ZINC000757565927 586305252 /nfs/dbraw/zinc/30/52/52/586305252.db2.gz JLQCSLRHADQLBB-VIFPVBQESA-N 1 2 232.331 3.292 10 0 BGAELO CCC[C@@H](C)c1nc2[nH]ccc2c(NC2CC2)[nH+]1 ZINC000757566055 586305704 /nfs/dbraw/zinc/30/57/04/586305704.db2.gz KGRCOAOIMJTPFT-SECBINFHSA-N 1 2 244.342 3.436 10 0 BGAELO CCC[C@H](C)c1nc2[nH]ccc2c(NC2CC2)[nH+]1 ZINC000757566058 586305632 /nfs/dbraw/zinc/30/56/32/586305632.db2.gz KGRCOAOIMJTPFT-VIFPVBQESA-N 1 2 244.342 3.436 10 0 BGAELO c1cc2c(nc(C3CCCC3)[nH+]c2NC2CC2)[nH]1 ZINC000757567430 586315931 /nfs/dbraw/zinc/31/59/31/586315931.db2.gz MVPOAKIMLKUKIP-UHFFFAOYSA-N 1 2 242.326 3.190 10 0 BGAELO CCC[C@@H](C)c1nc2[nH]ccc2c(NCC)[nH+]1 ZINC000757569563 586366304 /nfs/dbraw/zinc/36/63/04/586366304.db2.gz TYQAYIJFDFKIJB-SECBINFHSA-N 1 2 232.331 3.245 10 0 BGAELO CCC[C@H](C)c1nc2[nH]ccc2c(NCC)[nH+]1 ZINC000757569571 586367416 /nfs/dbraw/zinc/36/74/16/586367416.db2.gz TYQAYIJFDFKIJB-VIFPVBQESA-N 1 2 232.331 3.245 10 0 BGAELO CCCCc1nc2[nH]ccc2c(NC(C)C)[nH+]1 ZINC000757569642 586367685 /nfs/dbraw/zinc/36/76/85/586367685.db2.gz UKBILXIFEAKVAS-UHFFFAOYSA-N 1 2 232.331 3.121 10 0 BGAELO CC(C)CCc1nc2[nH]ccc2c(NC2CC2)[nH+]1 ZINC000757570756 586462469 /nfs/dbraw/zinc/46/24/69/586462469.db2.gz YOBZZMKPZYLDEN-UHFFFAOYSA-N 1 2 244.342 3.121 10 0 BGAELO CC[C@@H](C)c1nc2[nH]ccc2c(NC2CC2)[nH+]1 ZINC000757570889 586462351 /nfs/dbraw/zinc/46/23/51/586462351.db2.gz ZOEXCOBRGKUMIZ-MRVPVSSYSA-N 1 2 230.315 3.046 10 0 BGAELO CC[C@H](C)c1nc2[nH]ccc2c(NC2CC2)[nH+]1 ZINC000757570890 586462335 /nfs/dbraw/zinc/46/23/35/586462335.db2.gz ZOEXCOBRGKUMIZ-QMMMGPOBSA-N 1 2 230.315 3.046 10 0 BGAELO CC(C)CCc1nc2[nH]ccc2c(NC(C)C)[nH+]1 ZINC000757570942 586462489 /nfs/dbraw/zinc/46/24/89/586462489.db2.gz ZWLUGSSAXHOHEE-UHFFFAOYSA-N 1 2 246.358 3.367 10 0 BGAELO