smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(c1coc2ccc([O-])cc12)c1ccccc1 ZINC000000036639 342670733 /nfs/dbraw/zinc/67/07/33/342670733.db2.gz HDHPCXZMHILLOZ-UHFFFAOYSA-N -1 3 238.242 3.369 50 0 BGAAHM O=C(c1cccs1)c1coc2ccc([O-])cc21 ZINC000000036642 342670663 /nfs/dbraw/zinc/67/06/63/342670663.db2.gz WUVWVWAZLNEFCT-UHFFFAOYSA-N -1 3 244.271 3.431 50 0 BGAAHM CC(C)O[N-]C(=O)Nc1cccc2ccccc21 ZINC000000037900 167277112 /nfs/dbraw/zinc/27/71/12/167277112.db2.gz YSGLBNFOVSAHJB-UHFFFAOYSA-N -1 3 244.294 3.301 50 0 BGAAHM CC(C)ON=C([O-])Nc1cccc2ccccc21 ZINC000000037900 167277107 /nfs/dbraw/zinc/27/71/07/167277107.db2.gz YSGLBNFOVSAHJB-UHFFFAOYSA-N -1 3 244.294 3.301 50 0 BGAAHM O=c1cc(-c2ccccc2[O-])oc2ccccc12 ZINC000000038938 398145755 /nfs/dbraw/zinc/14/57/55/398145755.db2.gz ZZLQHXCRRMUGQJ-UHFFFAOYSA-N -1 3 238.242 3.166 50 0 BGAAHM Cc1ccc2oc(-c3cc(N)ccc3[O-])nc2c1 ZINC000000043835 342671195 /nfs/dbraw/zinc/67/11/95/342671195.db2.gz UMTJINNIPXJAGY-UHFFFAOYSA-N -1 3 240.262 3.091 50 0 BGAAHM O=c1cc(-c2ccccc2)oc2cccc([O-])c12 ZINC000000057676 342672087 /nfs/dbraw/zinc/67/20/87/342672087.db2.gz IYBLVRRCNVHZQJ-UHFFFAOYSA-N -1 3 238.242 3.166 50 0 biogenic,in-vivo BGAAHM O=c1cc(-c2ccc([O-])cc2)oc2ccccc12 ZINC000000057679 343997203 /nfs/dbraw/zinc/99/72/03/343997203.db2.gz SHGLJXBLXNNCTE-UHFFFAOYSA-N -1 3 238.242 3.166 50 0 in-vitro BGAAHM O=C(NC1CCCCCCC1)c1ccccc1[O-] ZINC000000071580 182115716 /nfs/dbraw/zinc/11/57/16/182115716.db2.gz MRBSNCWFEALXNY-UHFFFAOYSA-N -1 3 247.338 3.235 50 0 BGAAHM CCOc1cc(-c2ccccc2)nc(=S)[n-]1 ZINC000000079648 346403589 /nfs/dbraw/zinc/40/35/89/346403589.db2.gz XMEGCGGVZIMHPA-UHFFFAOYSA-N -1 3 232.308 3.205 50 0 BGAAHM COc1ccc2c(C)cc(=S)[n-]c2c1 ZINC000000081365 175203755 /nfs/dbraw/zinc/20/37/55/175203755.db2.gz QJNQZUVUCGOPFS-UHFFFAOYSA-N -1 3 205.282 3.214 50 0 BGAAHM [O-]c1ccccc1NC(=S)Nc1ccccc1 ZINC000000086930 183303418 /nfs/dbraw/zinc/30/34/18/183303418.db2.gz CQOHACLBKAAZBM-UHFFFAOYSA-N -1 3 244.319 3.201 50 0 BGAAHM [O-]c1c(Cl)cc(Cl)c2c1NCCC2 ZINC000000099870 188099174 /nfs/dbraw/zinc/09/91/74/188099174.db2.gz OOYLCPWMVWUZDX-UHFFFAOYSA-N -1 3 218.083 3.057 50 0 BGAAHM Cc1ccc2oc(-c3ccco3)c([O-])c(=O)c2c1 ZINC000000115297 344550392 /nfs/dbraw/zinc/55/03/92/344550392.db2.gz NLZPGBZFCVIJEI-UHFFFAOYSA-N -1 3 242.230 3.067 50 0 BGAAHM Nc1ccc(-c2nc3ccccc3s2)c([O-])c1 ZINC000000123076 342675789 /nfs/dbraw/zinc/67/57/89/342675789.db2.gz PJHQPFRPACFPPM-UHFFFAOYSA-N -1 3 242.303 3.251 50 0 BGAAHM Cc1ccc2oc(-c3ccc(N)cc3[O-])nc2c1 ZINC000000123090 342675781 /nfs/dbraw/zinc/67/57/81/342675781.db2.gz VZNHSHBMAPCZGQ-UHFFFAOYSA-N -1 3 240.262 3.091 50 0 BGAAHM O=C(/C=C/c1ccccc1)Nc1ccccc1[O-] ZINC000000123900 383829319 /nfs/dbraw/zinc/82/93/19/383829319.db2.gz CYJJBQPBDGQQFZ-ZHACJKMWSA-N -1 3 239.274 3.044 50 0 BGAAHM Cc1cccc(NC(=O)c2ccc([O-])cc2)c1C ZINC000000131804 342676261 /nfs/dbraw/zinc/67/62/61/342676261.db2.gz TUSKGDZYAFUJKX-UHFFFAOYSA-N -1 3 241.290 3.261 50 0 BGAAHM Cc1ccc(NC(=O)c2ccc([O-])cc2)c(C)c1 ZINC000000131808 342676206 /nfs/dbraw/zinc/67/62/06/342676206.db2.gz DQCHNSPHQOMPIV-UHFFFAOYSA-N -1 3 241.290 3.261 50 0 BGAAHM O=C(Nc1ccccc1Cl)c1ccc([O-])cc1 ZINC000000131982 182379023 /nfs/dbraw/zinc/37/90/23/182379023.db2.gz JVCCTLINZOCSLG-UHFFFAOYSA-N -1 3 247.681 3.298 50 0 BGAAHM CCc1ccccc1NC(=O)c1ccc([O-])cc1 ZINC000000131988 383829146 /nfs/dbraw/zinc/82/91/46/383829146.db2.gz RCVKVKYKVYUUFH-UHFFFAOYSA-N -1 3 241.290 3.207 50 0 BGAAHM O=C(Nc1ccc(Cl)cc1)c1ccc([O-])cc1 ZINC000000131995 182353957 /nfs/dbraw/zinc/35/39/57/182353957.db2.gz OROUDFPMGPAELU-UHFFFAOYSA-N -1 3 247.681 3.298 50 0 BGAAHM Cc1ccc(C)c(NC(=O)c2ccc([O-])cc2)c1 ZINC000000151722 383833925 /nfs/dbraw/zinc/83/39/25/383833925.db2.gz KDBQWFGRLYZABP-UHFFFAOYSA-N -1 3 241.290 3.261 50 0 BGAAHM [O-]c1ccccc1-c1ccc2cccnc2n1 ZINC000000154226 183298888 /nfs/dbraw/zinc/29/88/88/183298888.db2.gz AYKMXKNVEUMLFQ-UHFFFAOYSA-N -1 3 222.247 3.002 50 0 BGAAHM Cc1cc(C)c2c(n1)sc1c2[n-]cnc1=S ZINC000000158778 383835389 /nfs/dbraw/zinc/83/53/89/383835389.db2.gz KXWLGYGITGCNOX-UHFFFAOYSA-N -1 3 247.348 3.145 50 0 BGAAHM [O-]c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000000164553 183257436 /nfs/dbraw/zinc/25/74/36/183257436.db2.gz ODSXJQYJADZFJX-UHFFFAOYSA-N -1 3 230.107 3.430 50 0 BGAAHM [O-]c1ccc(-c2nnc(-c3ccccc3)o2)cc1 ZINC000000187070 183265741 /nfs/dbraw/zinc/26/57/41/183265741.db2.gz NEIGDUNVPSHESZ-UHFFFAOYSA-N -1 3 238.246 3.109 50 0 BGAAHM Cc1c([O-])ccc2c3c(c(=O)oc12)CCCCC3 ZINC000000200896 342680163 /nfs/dbraw/zinc/68/01/63/342680163.db2.gz SWBDIHXOLXVPJG-UHFFFAOYSA-N -1 3 244.290 3.076 50 0 BGAAHM CC(=O)c1c(C)cc2cc(C)cc(O)c2c1[O-] ZINC000000208403 188099831 /nfs/dbraw/zinc/09/98/31/188099831.db2.gz TZAKEZMPPUTARG-UHFFFAOYSA-N -1 3 230.263 3.070 50 0 BGAAHM O=C(Nc1ccccc1[O-])c1ccc(Cl)cc1 ZINC000000225750 182380930 /nfs/dbraw/zinc/38/09/30/182380930.db2.gz DZZYJYQGLGAWEU-UHFFFAOYSA-N -1 3 247.681 3.298 50 0 BGAAHM O=C(Nc1ccccc1)N([O-])c1ccccc1 ZINC000000227896 182374731 /nfs/dbraw/zinc/37/47/31/182374731.db2.gz AEPWPONHNWJZFI-UHFFFAOYSA-N -1 3 228.251 3.114 50 0 BGAAHM Cc1ccc2nc(-c3ccc(N)cc3[O-])oc2c1 ZINC000000235989 342680901 /nfs/dbraw/zinc/68/09/01/342680901.db2.gz WCLVOVYJAPLNEZ-UHFFFAOYSA-N -1 3 240.262 3.091 50 0 BGAAHM [O-]c1ccc(-c2nc(C3CCCCC3)no2)cc1 ZINC000000236205 183264125 /nfs/dbraw/zinc/26/41/25/183264125.db2.gz LBNXWAWGSFVUPR-UHFFFAOYSA-N -1 3 244.294 3.490 50 0 BGAAHM [O-]c1ccccc1-c1cc(C(F)(F)F)on1 ZINC000000237601 183299017 /nfs/dbraw/zinc/29/90/17/183299017.db2.gz BYDNWVIKLHIWSM-UHFFFAOYSA-N -1 3 229.157 3.066 50 0 BGAAHM Cc1[nH]c2ccc(-c3n[nH]c(=S)[n-]3)cc2c1C ZINC000000264335 344665840 /nfs/dbraw/zinc/66/58/40/344665840.db2.gz ITOGIVCMPNIIHB-UHFFFAOYSA-N -1 3 244.323 3.232 50 0 BGAAHM [O-]c1ccccc1-c1nc(-c2ccccc2)no1 ZINC000000271638 183299304 /nfs/dbraw/zinc/29/93/04/183299304.db2.gz VNCIJMRFIRKERM-UHFFFAOYSA-N -1 3 238.246 3.109 50 0 BGAAHM CC(C)c1cc(C=O)cc(C(C)C)c1[O-] ZINC000000297726 342682633 /nfs/dbraw/zinc/68/26/33/342682633.db2.gz WVGDLTQPAQUBMO-UHFFFAOYSA-N -1 3 206.285 3.452 50 0 in-vivo BGAAHM O=C(NCCC1=CCCCC1)c1ccccc1[O-] ZINC000000302316 182153125 /nfs/dbraw/zinc/15/31/25/182153125.db2.gz OOJYYJUWBZYYPH-UHFFFAOYSA-N -1 3 245.322 3.013 50 0 BGAAHM CCOc1ccc2c(c1)C(=O)c1cc([O-])ccc1-2 ZINC000000318202 344694527 /nfs/dbraw/zinc/69/45/27/344694527.db2.gz HLERULOIKJNSNL-UHFFFAOYSA-N -1 3 240.258 3.002 50 0 BGAAHM Cc1ccc(N([O-])C(=O)Nc2ccccc2)cc1 ZINC000000322790 342683350 /nfs/dbraw/zinc/68/33/50/342683350.db2.gz LWAGZOAOPGWSMM-UHFFFAOYSA-N -1 3 242.278 3.423 50 0 BGAAHM O=Cc1cc(Cc2ccccc2Cl)ccc1[O-] ZINC000000335195 383856917 /nfs/dbraw/zinc/85/69/17/383856917.db2.gz JMULYCYANQIZED-UHFFFAOYSA-N -1 3 246.693 3.449 50 0 BGAAHM O=c1oc2ccccc2cc1-c1ccccc1[O-] ZINC000000335905 342683896 /nfs/dbraw/zinc/68/38/96/342683896.db2.gz NUUIKHRXHNLMQK-UHFFFAOYSA-N -1 3 238.242 3.166 50 0 BGAAHM S=C1[N-]C2(CCCCC2)[C@@H]2CCCC[C@H]2O1 ZINC000000338263 183312608 /nfs/dbraw/zinc/31/26/08/183312608.db2.gz PGFAZFZATRJKKG-GHMZBOCLSA-N -1 3 239.384 3.153 50 0 BGAAHM S=C1[N-]C2(CCCCC2)[C@@H]2CCCC[C@@H]2O1 ZINC000000338265 183312098 /nfs/dbraw/zinc/31/20/98/183312098.db2.gz PGFAZFZATRJKKG-MNOVXSKESA-N -1 3 239.384 3.153 50 0 BGAAHM S=C1[N-]C2(CCCCC2)[C@H]2CCCC[C@H]2O1 ZINC000000338269 183312724 /nfs/dbraw/zinc/31/27/24/183312724.db2.gz PGFAZFZATRJKKG-WDEREUQCSA-N -1 3 239.384 3.153 50 0 BGAAHM S=C1[N-]C2(CCCCC2)[C@H]2CCCC[C@@H]2O1 ZINC000000338272 183312610 /nfs/dbraw/zinc/31/26/10/183312610.db2.gz PGFAZFZATRJKKG-QWRGUYRKSA-N -1 3 239.384 3.153 50 0 BGAAHM O=C1c2ccccc2CSc2c([O-])cccc21 ZINC000000346184 182845739 /nfs/dbraw/zinc/84/57/39/182845739.db2.gz MRJREHIWHXNYMV-UHFFFAOYSA-N -1 3 242.299 3.229 50 0 BGAAHM O=C1Cc2ccccc2Sc2ccc([O-])cc21 ZINC000000347356 342684417 /nfs/dbraw/zinc/68/44/17/342684417.db2.gz WWFLHYZRRCCDDW-UHFFFAOYSA-N -1 3 242.299 3.282 50 0 BGAAHM Cc1nc2c(cc([O-])c3ccccc23)s1 ZINC000000349018 180069869 /nfs/dbraw/zinc/06/98/69/180069869.db2.gz XSPCDMNJYXCPDR-UHFFFAOYSA-N -1 3 215.277 3.464 50 0 BGAAHM [O-]c1ccc2nc(-c3ccccc3)oc2c1 ZINC000000362585 183284419 /nfs/dbraw/zinc/28/44/19/183284419.db2.gz ZLLPKNHSQPLRRJ-UHFFFAOYSA-N -1 3 211.220 3.200 50 0 BGAAHM CCC(CC)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000000365143 168340009 /nfs/dbraw/zinc/34/00/09/168340009.db2.gz SHQXFNVUFNISOM-UHFFFAOYSA-N -1 3 241.718 3.420 50 0 BGAAHM O=C(Nc1cc(Cl)ccc1[O-])C1CCCC1 ZINC000000365145 182348551 /nfs/dbraw/zinc/34/85/51/182348551.db2.gz ZHTRLXQMDWSYGR-UHFFFAOYSA-N -1 3 239.702 3.174 50 0 BGAAHM CCn1nc(C)c(Oc2ccccc2[O-])c1C ZINC000000365147 172248218 /nfs/dbraw/zinc/24/82/18/172248218.db2.gz JNOXWZLWRZNRTJ-UHFFFAOYSA-N -1 3 232.283 3.018 50 0 BGAAHM Cc1cccc(C(=O)Nc2ccc(C)cc2[O-])c1 ZINC000000383749 384163746 /nfs/dbraw/zinc/16/37/46/384163746.db2.gz WYFVLXLZPAOKPW-UHFFFAOYSA-N -1 3 241.290 3.261 50 0 BGAAHM Cc1ccc(NC(=O)c2ccccc2C)c([O-])c1 ZINC000000383776 342685583 /nfs/dbraw/zinc/68/55/83/342685583.db2.gz JAUMLWIGYIWUPO-UHFFFAOYSA-N -1 3 241.290 3.261 50 0 BGAAHM Cc1ccc(NC(=O)C2CCCCC2)c([O-])c1 ZINC000000383783 342685620 /nfs/dbraw/zinc/68/56/20/342685620.db2.gz WFWFLKHBCKLZQB-UHFFFAOYSA-N -1 3 233.311 3.219 50 0 BGAAHM Cc1ccc([O-])c(Cc2cc(C)ccc2O)c1 ZINC000000402047 518189308 /nfs/dbraw/zinc/18/93/08/518189308.db2.gz XZXYQEHISUMZAT-UHFFFAOYSA-N -1 3 228.291 3.305 50 0 BGAAHM c1c2ccccc2c2nc3ccccc3[n-]c1-2 ZINC000000402097 388813395 /nfs/dbraw/zinc/81/33/95/388813395.db2.gz ZPWNRRJVDHVOAF-UHFFFAOYSA-N -1 3 218.259 3.201 50 0 BGAAHM [O-]c1ccccc1-c1nc2ccccc2o1 ZINC000000404432 183300361 /nfs/dbraw/zinc/30/03/61/183300361.db2.gz GHGZVWOTJDLREY-UHFFFAOYSA-N -1 3 211.220 3.200 50 0 BGAAHM O=c1[n-]c(-c2ccccc2)c(-c2ccccc2)o1 ZINC000000404824 345433541 /nfs/dbraw/zinc/43/35/41/345433541.db2.gz LDPBTGBWTUWCBU-UHFFFAOYSA-N -1 3 237.258 3.302 50 0 BGAAHM O=C(Nc1ccccc1)Nc1ccccc1[O-] ZINC000000406516 182376009 /nfs/dbraw/zinc/37/60/09/182376009.db2.gz SOTPAHSLPCKYOC-UHFFFAOYSA-N -1 3 228.251 3.036 50 0 BGAAHM O=C(Nc1ccccc1[O-])c1ccccc1Cl ZINC000000410279 182380638 /nfs/dbraw/zinc/38/06/38/182380638.db2.gz CREJOROTWXBIHJ-UHFFFAOYSA-N -1 3 247.681 3.298 50 0 BGAAHM Cc1ccc(Sc2ncccc2[O-])cc1 ZINC000000481468 384319760 /nfs/dbraw/zinc/31/97/60/384319760.db2.gz PKZLWZJDBTZEMX-UHFFFAOYSA-N -1 3 217.293 3.247 50 0 BGAAHM Cc1nc2c(ccc(-c3ccccc3)c2[O-])n1C ZINC000000494295 180065618 /nfs/dbraw/zinc/06/56/18/180065618.db2.gz AYMXRAPWBZQQPV-UHFFFAOYSA-N -1 3 238.290 3.254 50 0 BGAAHM Cc1ccc2nc(-c3cc(N)ccc3[O-])oc2c1 ZINC000000529864 178972513 /nfs/dbraw/zinc/97/25/13/178972513.db2.gz HZQSKEJQWAPHOA-UHFFFAOYSA-N -1 3 240.262 3.091 50 0 BGAAHM c1ccc2[n-]c(-c3nc4ccccc4o3)nc2c1 ZINC000000547783 385491586 /nfs/dbraw/zinc/49/15/86/385491586.db2.gz IOKQVGHOQCPQNH-UHFFFAOYSA-N -1 3 235.246 3.371 50 0 BGAAHM O=c1c([O-])c(-c2cccs2)oc2ccccc12 ZINC000000609706 348555046 /nfs/dbraw/zinc/55/50/46/348555046.db2.gz SRHIOWDJRLUYLG-UHFFFAOYSA-N -1 3 244.271 3.227 50 0 BGAAHM Cc1ccc(NC(=O)c2ccccc2F)c([O-])c1 ZINC000001017076 350979036 /nfs/dbraw/zinc/97/90/36/350979036.db2.gz BDBQVSKABQTQKD-UHFFFAOYSA-N -1 3 245.253 3.092 50 0 BGAAHM CCC(CC)C(=O)Nc1ccc(C)cc1[O-] ZINC000001017113 168341267 /nfs/dbraw/zinc/34/12/67/168341267.db2.gz LEKIHWQKDIDBLE-UHFFFAOYSA-N -1 3 221.300 3.075 50 0 BGAAHM CC[C@@]1(C)Cc2ccccc2-c2[n-][nH]c(=O)c21 ZINC000001431319 171207724 /nfs/dbraw/zinc/20/77/24/171207724.db2.gz QZTXMMIYNJHBAT-AWEZNQCLSA-N -1 3 228.295 3.006 50 0 BGAAHM CC[C@]1(C)Cc2ccccc2-c2[n-][nH]c(=O)c21 ZINC000001431320 636067928 /nfs/dbraw/zinc/06/79/28/636067928.db2.gz QZTXMMIYNJHBAT-CQSZACIVSA-N -1 3 228.295 3.006 50 0 BGAAHM [O-]c1ccc(C2=Cc3ccc(O)cc3OC2)cc1 ZINC000001491943 183268145 /nfs/dbraw/zinc/26/81/45/183268145.db2.gz ZZUBHVMHNVYXRR-UHFFFAOYSA-N -1 3 240.258 3.031 50 0 biogenic,investigational BGAAHM Cc1cc(C(=O)c2ccccc2)cc(C)c1[O-] ZINC000001555452 383905822 /nfs/dbraw/zinc/90/58/22/383905822.db2.gz QIJYMAFYLVUVNU-UHFFFAOYSA-N -1 3 226.275 3.240 50 0 BGAAHM CC(C)(C)c1ccc([O-])c(Br)c1 ZINC000001640858 188274445 /nfs/dbraw/zinc/27/44/45/188274445.db2.gz FFRLMQPMGIMHHQ-UHFFFAOYSA-N -1 3 229.117 3.452 50 0 BGAAHM O=C(c1ccc(Cl)cc1)c1cccc([O-])c1 ZINC000001701437 357166005 /nfs/dbraw/zinc/16/60/05/357166005.db2.gz WBQUCIOFUOIVNX-UHFFFAOYSA-N -1 3 232.666 3.277 50 0 BGAAHM [O-]c1ccccc1-c1nnc(-c2ccccc2)o1 ZINC000001720536 183299778 /nfs/dbraw/zinc/29/97/78/183299778.db2.gz AXKJOWVRUHGNBD-UHFFFAOYSA-N -1 3 238.246 3.109 50 0 BGAAHM CCCCCCc1cc(C(C)=O)c(O)cc1[O-] ZINC000001769099 188156880 /nfs/dbraw/zinc/15/68/80/188156880.db2.gz VHAHDEBHRBHPIK-UHFFFAOYSA-N -1 3 236.311 3.423 50 0 BGAAHM CCCCc1cc(=O)oc2c(C)c([O-])ccc12 ZINC000001902771 169017816 /nfs/dbraw/zinc/01/78/16/169017816.db2.gz MDWSJIOFAJKBJY-UHFFFAOYSA-N -1 3 232.279 3.150 50 0 BGAAHM Cc1ccc2c(c1)oc(-c1ccco1)c([O-])c2=O ZINC000001910605 359340835 /nfs/dbraw/zinc/34/08/35/359340835.db2.gz NMSDFLOKVZQTGJ-UHFFFAOYSA-N -1 3 242.230 3.067 50 0 BGAAHM CCCCCCOC(=O)c1ccc([O-])cc1 ZINC000002023161 342714693 /nfs/dbraw/zinc/71/46/93/342714693.db2.gz ULULAZKOCFNOIM-UHFFFAOYSA-N -1 3 222.284 3.129 50 0 BGAAHM CCCCOC(=O)N([O-])c1ccc(Cl)cc1 ZINC000002141232 384512536 /nfs/dbraw/zinc/51/25/36/384512536.db2.gz RIWCGQWZRDQZRQ-UHFFFAOYSA-N -1 3 243.690 3.472 50 0 BGAAHM c1ccc([N-]c2nnc(-c3ccccc3)o2)cc1 ZINC000002144682 388862208 /nfs/dbraw/zinc/86/22/08/388862208.db2.gz MMNOHGHVARTVLG-UHFFFAOYSA-N -1 3 237.262 3.480 50 0 BGAAHM CCCCCC(=O)c1ccc([O-])c(C)c1O ZINC000002167046 346496797 /nfs/dbraw/zinc/49/67/97/346496797.db2.gz FYJZQCIDZZPGBO-UHFFFAOYSA-N -1 3 222.284 3.169 50 0 BGAAHM CCCCc1c(C)c2ccc([O-])c(C)c2oc1=O ZINC000002180707 187245531 /nfs/dbraw/zinc/24/55/31/187245531.db2.gz WBSHKNWGTNMYAF-UHFFFAOYSA-N -1 3 246.306 3.458 50 0 BGAAHM [O-]c1ccc(Br)c(C(F)(F)F)c1 ZINC000002384140 183268096 /nfs/dbraw/zinc/26/80/96/183268096.db2.gz VOWPIDJSINRFPZ-UHFFFAOYSA-N -1 3 241.006 3.174 50 0 BGAAHM CC(=O)c1coc2c1cc([O-])c1ccccc21 ZINC000002472134 188101237 /nfs/dbraw/zinc/10/12/37/188101237.db2.gz WYMLGCDOZHERKB-UHFFFAOYSA-N -1 3 226.231 3.494 50 0 BGAAHM Cc1ccc(-c2cn3c(=S)[n-]nc3s2)cc1 ZINC000002481226 178327793 /nfs/dbraw/zinc/32/77/93/178327793.db2.gz LKNICEBFAPQJNB-UHFFFAOYSA-N -1 3 247.348 3.429 50 0 BGAAHM Cc1ccc(NC(=O)c2cccc(F)c2)c([O-])c1 ZINC000002649026 347506097 /nfs/dbraw/zinc/50/60/97/347506097.db2.gz NSAGVXBXWSXXJY-UHFFFAOYSA-N -1 3 245.253 3.092 50 0 BGAAHM Cc1ccc([O-])c(-c2cnc3ccccc3n2)c1 ZINC000003159716 346668802 /nfs/dbraw/zinc/66/88/02/346668802.db2.gz ZGIMUPGSDNAIGA-UHFFFAOYSA-N -1 3 236.274 3.311 50 0 BGAAHM O=C(/C=C/c1cccs1)Nc1ccccc1[O-] ZINC000003294592 388372102 /nfs/dbraw/zinc/37/21/02/388372102.db2.gz MTLFFQOEXGWJEI-BQYQJAHWSA-N -1 3 245.303 3.106 50 0 BGAAHM Cc1ccc(NC(=O)c2ccc(F)cc2)c([O-])c1 ZINC000003382495 388376823 /nfs/dbraw/zinc/37/68/23/388376823.db2.gz QEHFCJZYGJIGEN-UHFFFAOYSA-N -1 3 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FC(F)(F)c1nc2ccccc2c(=S)[n-]1 ZINC000014134890 190979679 /nfs/dbraw/zinc/97/96/79/190979679.db2.gz HEZGELKZXNHIEP-UHFFFAOYSA-N -1 3 230.214 3.311 50 0 BGAAHM Cc1nc(-c2ccccn2)[n-]c(=S)c1Cl ZINC000015924402 356595059 /nfs/dbraw/zinc/59/50/59/356595059.db2.gz OMVHUYAQBLWYAA-UHFFFAOYSA-N -1 3 237.715 3.163 50 0 BGAAHM O=c1cc(-c2ccccc2)nc(-c2ccccc2)[n-]1 ZINC000016124821 342906564 /nfs/dbraw/zinc/90/65/64/342906564.db2.gz XRSLJJMPKREAES-UHFFFAOYSA-N -1 3 248.285 3.104 50 0 BGAAHM [O-]c1ccccc1-c1nc(-c2cccs2)no1 ZINC000016652043 183300715 /nfs/dbraw/zinc/30/07/15/183300715.db2.gz FOMUOFIOAMORQM-UHFFFAOYSA-N -1 3 244.275 3.171 50 0 BGAAHM O=Cc1cc(-c2ccc(F)cc2)ccc1[O-] ZINC000016946428 384472970 /nfs/dbraw/zinc/47/29/70/384472970.db2.gz LBEAOSHFAFGEBI-UHFFFAOYSA-N -1 3 216.211 3.011 50 0 BGAAHM S=c1[n-]c(-c2ccc(Cl)cc2Cl)n[nH]1 ZINC000017877137 188280764 /nfs/dbraw/zinc/28/07/64/188280764.db2.gz BZLULSOSPSQTAL-UHFFFAOYSA-N -1 3 246.122 3.067 50 0 BGAAHM S=c1[n-]c(-c2cc(Cl)ccc2Cl)n[nH]1 ZINC000018168765 384501120 /nfs/dbraw/zinc/50/11/20/384501120.db2.gz NMMKMPMKLSTYQX-UHFFFAOYSA-N -1 3 246.122 3.067 50 0 BGAAHM CCCc1c(C)nc(-c2cccc(C)c2)[n-]c1=O ZINC000018208607 342934837 /nfs/dbraw/zinc/93/48/37/342934837.db2.gz JIBIEJGDSKGGAD-UHFFFAOYSA-N -1 3 242.322 3.006 50 0 BGAAHM Cc1cccc(NC(=O)c2cc(C)ccc2[O-])c1 ZINC000019836798 179141184 /nfs/dbraw/zinc/14/11/84/179141184.db2.gz DWSGUZFAUOCWHY-UHFFFAOYSA-N -1 3 241.290 3.261 50 0 BGAAHM Cc1ccc(NC(=O)c2cccc([O-])c2)c(C)c1 ZINC000019836806 342959047 /nfs/dbraw/zinc/95/90/47/342959047.db2.gz DVMCKPRLCUXVPB-UHFFFAOYSA-N -1 3 241.290 3.261 50 0 BGAAHM O=C(Nc1ccc(Cl)cc1)c1cccc([O-])c1 ZINC000019839515 182354113 /nfs/dbraw/zinc/35/41/13/182354113.db2.gz OJTLDIBYRXTTCL-UHFFFAOYSA-N -1 3 247.681 3.298 50 0 BGAAHM Cc1cccc(NC(=O)c2cccc([O-])c2)c1C ZINC000019840417 384544797 /nfs/dbraw/zinc/54/47/97/384544797.db2.gz NQVDWRFYOUELGZ-UHFFFAOYSA-N -1 3 241.290 3.261 50 0 BGAAHM Cc1ccc(C)c(NC(=O)c2cccc([O-])c2)c1 ZINC000019840444 384545713 /nfs/dbraw/zinc/54/57/13/384545713.db2.gz UJBHHCPLOVBVHX-UHFFFAOYSA-N -1 3 241.290 3.261 50 0 BGAAHM [O-]c1ccc2c(c1)onc2Cc1ccccc1F ZINC000020734903 183278384 /nfs/dbraw/zinc/27/83/84/183278384.db2.gz WRKWHBYKNARTHE-UHFFFAOYSA-N -1 3 243.237 3.263 50 0 BGAAHM Cc1ccsc1C(=O)Nc1ccc(C)cc1[O-] ZINC000021900373 178755283 /nfs/dbraw/zinc/75/52/83/178755283.db2.gz JQSDNAGOMMIJSW-UHFFFAOYSA-N -1 3 247.319 3.323 50 0 BGAAHM FC(F)c1cc(-c2ccccc2)nc(=S)[n-]1 ZINC000022023129 343272123 /nfs/dbraw/zinc/27/21/23/343272123.db2.gz XSBUTGZIDQQGFL-UHFFFAOYSA-N -1 3 238.262 3.370 50 0 BGAAHM CCCCOc1ccc(-c2ncc([O-])cn2)cc1 ZINC000022289198 343272493 /nfs/dbraw/zinc/27/24/93/343272493.db2.gz HUEBMULVUVAZBS-UHFFFAOYSA-N -1 3 244.294 3.028 50 0 BGAAHM Cc1cc(C(=O)Nc2ccccc2[O-])c(C)s1 ZINC000023652856 384804854 /nfs/dbraw/zinc/80/48/54/384804854.db2.gz CGAGIIZZQDNBKR-UHFFFAOYSA-N -1 3 247.319 3.323 50 0 BGAAHM O=C(Nc1ccc(F)cc1)Nc1ccccc1[O-] ZINC000024031723 182355663 /nfs/dbraw/zinc/35/56/63/182355663.db2.gz YCAJSSJMXJCNTR-UHFFFAOYSA-N -1 3 246.241 3.175 50 0 BGAAHM Cc1ccc(C(=O)Nc2ccccc2[O-])c(C)c1 ZINC000024576920 384821504 /nfs/dbraw/zinc/82/15/04/384821504.db2.gz DJVJANKMULDKEP-UHFFFAOYSA-N -1 3 241.290 3.261 50 0 BGAAHM Cc1ccc(C(=O)NC2CCCCCC2)c([O-])c1 ZINC000028644431 384970028 /nfs/dbraw/zinc/97/00/28/384970028.db2.gz PPQDGKRHSJASIR-UHFFFAOYSA-N -1 3 247.338 3.153 50 0 BGAAHM Cc1ccc([O-])c(C(=O)NC2CCCCCC2)c1 ZINC000028644466 343130543 /nfs/dbraw/zinc/13/05/43/343130543.db2.gz ZELBHUOBTQNUAB-UHFFFAOYSA-N -1 3 247.338 3.153 50 0 BGAAHM Cc1oc(C)c(C(=O)Nc2ccccc2[O-])c1C ZINC000028689802 343130796 /nfs/dbraw/zinc/13/07/96/343130796.db2.gz IPROZJFWOVIBDD-UHFFFAOYSA-N -1 3 245.278 3.163 50 0 BGAAHM O=Cc1c2cc([O-])ccc2oc1-c1ccco1 ZINC000029753665 385005490 /nfs/dbraw/zinc/00/54/90/385005490.db2.gz YLFMXRAUECZPSY-UHFFFAOYSA-N -1 3 228.203 3.211 50 0 BGAAHM Cc1c(C(=O)[O-])oc2c1c(C)ccc2C ZINC000030714539 178504807 /nfs/dbraw/zinc/50/48/07/178504807.db2.gz RCCSQBNWYYICDI-UHFFFAOYSA-N -1 3 204.225 3.056 50 0 BGAAHM [O-]c1ccc(Cl)cc1/C=N/c1ccccn1 ZINC000032106978 345717759 /nfs/dbraw/zinc/71/77/59/345717759.db2.gz QCXJRECUHHWUNH-OVCLIPMQSA-N -1 3 232.670 3.191 50 0 BGAAHM [O-]c1ccc(F)cc1-c1cc(F)ccc1O ZINC000032153033 183274732 /nfs/dbraw/zinc/27/47/32/183274732.db2.gz PGTVKPNXXXWFMX-UHFFFAOYSA-N -1 3 222.190 3.043 50 0 BGAAHM [O-]c1ccc2c(c1)onc2-c1ccccc1F ZINC000032501408 183277808 /nfs/dbraw/zinc/27/78/08/183277808.db2.gz MBIAINSIGWHGEA-UHFFFAOYSA-N -1 3 229.210 3.340 50 0 BGAAHM [O-]c1ccc2c(c1)onc2Cc1ccccc1 ZINC000032502170 183278787 /nfs/dbraw/zinc/27/87/87/183278787.db2.gz PKPHOAWTBCEKQL-UHFFFAOYSA-N -1 3 225.247 3.124 50 0 BGAAHM Cc1nc(-c2cc([O-])ccc2Cl)[nH]c1C ZINC000033359277 386038016 /nfs/dbraw/zinc/03/80/16/386038016.db2.gz QLGREKQDWREFHN-UHFFFAOYSA-N -1 3 222.675 3.053 50 0 BGAAHM Cc1ccccc1Oc1ccccc1[O-] ZINC000033978645 179314602 /nfs/dbraw/zinc/31/46/02/179314602.db2.gz VBYGHXFBLOWOMS-UHFFFAOYSA-N -1 3 200.237 3.493 50 0 BGAAHM [O-]c1ccc(OCc2ccccc2)cc1F ZINC000034092634 183277405 /nfs/dbraw/zinc/27/74/05/183277405.db2.gz OPRUTERQSYYYFE-UHFFFAOYSA-N -1 3 218.227 3.110 50 0 BGAAHM [O-]N=c1c(-c2ccccc2)c1-c1ccccc1 ZINC000034117013 368374786 /nfs/dbraw/zinc/37/47/86/368374786.db2.gz SYVUJOHMKXDHSM-UHFFFAOYSA-N -1 3 221.259 3.186 50 0 BGAAHM O=c1[n-]cc(Cl)c(C(F)(F)F)c1Cl ZINC000034169160 183308763 /nfs/dbraw/zinc/30/87/63/183308763.db2.gz FJMCMQWRXXMLHT-UHFFFAOYSA-N -1 3 231.988 3.113 50 0 BGAAHM [O-]c1cc(F)c(OCc2ccccc2)c(F)c1 ZINC000034247763 368374811 /nfs/dbraw/zinc/37/48/11/368374811.db2.gz PCTUISSPYKBYNK-UHFFFAOYSA-N -1 3 236.217 3.249 50 0 BGAAHM CCCCCc1ccc([O-])c(F)c1F ZINC000034305455 343268124 /nfs/dbraw/zinc/26/81/24/343268124.db2.gz HLSNWDXIBLGPNV-UHFFFAOYSA-N -1 3 200.228 3.403 50 0 BGAAHM CC(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000034583774 490106193 /nfs/dbraw/zinc/10/61/93/490106193.db2.gz NOFNICHETXGVBM-UHFFFAOYSA-N -1 3 220.655 3.401 50 0 BGAAHM CCOC(=O)c1cc2sc(C)cc2c([O-])c1 ZINC000034618346 356471386 /nfs/dbraw/zinc/47/13/86/356471386.db2.gz HZIPQKGDJQNKBM-UHFFFAOYSA-N -1 3 236.292 3.092 50 0 BGAAHM [O-]C(=CC(F)(F)F)c1cc(F)ccc1F ZINC000034976477 383820913 /nfs/dbraw/zinc/82/09/13/383820913.db2.gz AYYRSWNVHYPHPM-UHFFFAOYSA-N -1 3 224.128 3.100 50 0 BGAAHM CC(C)(C)OC(=O)c1ccc(Cl)cc1[O-] ZINC000035287624 343292464 /nfs/dbraw/zinc/29/24/64/343292464.db2.gz MAHLRJXOEDHGSJ-UHFFFAOYSA-N -1 3 228.675 3.001 50 0 BGAAHM CC(C)(C)OC(=O)N1CCCc2cccc([O-])c21 ZINC000036379573 534833818 /nfs/dbraw/zinc/83/38/18/534833818.db2.gz FIWQQSPYRGHGEK-UHFFFAOYSA-N -1 3 249.310 3.080 50 0 BGAAHM CCCc1cc(=O)[n-]c(-c2ccc(Cl)cc2)n1 ZINC000037409028 364007024 /nfs/dbraw/zinc/00/70/24/364007024.db2.gz PMTGJDXRGWNULQ-UHFFFAOYSA-N -1 3 248.713 3.043 50 0 BGAAHM [O-]C(=Cc1c(F)cccc1Cl)c1ccco1 ZINC000038125263 182032904 /nfs/dbraw/zinc/03/29/04/182032904.db2.gz ZQGSDSSHADEPJT-UHFFFAOYSA-N -1 3 238.645 3.498 50 0 BGAAHM [O-]c1cc(Br)c2ccccc2c1 ZINC000038860882 183256228 /nfs/dbraw/zinc/25/62/28/183256228.db2.gz PQNQMYMGUXGWTG-UHFFFAOYSA-N -1 3 223.069 3.308 50 0 BGAAHM S=c1ccc(-c2ccc(Cl)cc2)n[n-]1 ZINC000039236981 183314977 /nfs/dbraw/zinc/31/49/77/183314977.db2.gz ZIBIFNMJFUTOBW-UHFFFAOYSA-N -1 3 222.700 3.460 50 0 BGAAHM CC(=O)c1cccc(-c2ccccc2)c1[O-] ZINC000039426864 384113514 /nfs/dbraw/zinc/11/35/14/384113514.db2.gz XFRAXOKMMRIWKK-UHFFFAOYSA-N -1 3 212.248 3.262 50 0 BGAAHM [O-]c1ccc2c(c1)onc2-c1ccccc1 ZINC000040165588 183278477 /nfs/dbraw/zinc/27/84/77/183278477.db2.gz MLYAITJFIYZVHX-UHFFFAOYSA-N -1 3 211.220 3.200 50 0 BGAAHM [O-]c1ccc2c(c1)onc2-c1ccc(F)cc1 ZINC000040165589 183278102 /nfs/dbraw/zinc/27/81/02/183278102.db2.gz OKYSRBQSZDUEPD-UHFFFAOYSA-N -1 3 229.210 3.340 50 0 BGAAHM Cc1ccc(-c2ccc(=S)[n-]n2)cc1 ZINC000041211197 178323164 /nfs/dbraw/zinc/32/31/64/178323164.db2.gz YHXSAOLTFSTEGL-UHFFFAOYSA-N -1 3 202.282 3.115 50 0 BGAAHM CC(C)(C)C(=O)c1cc(Cl)ccc1[O-] ZINC000041226452 374120185 /nfs/dbraw/zinc/12/01/85/374120185.db2.gz HTAYAYRJJANSKD-UHFFFAOYSA-N -1 3 212.676 3.274 50 0 BGAAHM CCc1ccc(-c2ccc(=S)[n-]n2)cc1 ZINC000041229113 361464237 /nfs/dbraw/zinc/46/42/37/361464237.db2.gz GSYQNLNXOKMANS-UHFFFAOYSA-N -1 3 216.309 3.369 50 0 BGAAHM Cc1ccc(-c2ccc(=S)[n-]n2)cc1C ZINC000041229115 178322970 /nfs/dbraw/zinc/32/29/70/178322970.db2.gz HNYQZHGSOXUNND-UHFFFAOYSA-N -1 3 216.309 3.423 50 0 BGAAHM Cc1ccc(C)c(-c2ccc(=S)[n-]n2)c1 ZINC000041229117 388274650 /nfs/dbraw/zinc/27/46/50/388274650.db2.gz FNXSGMWKMRVZEH-UHFFFAOYSA-N -1 3 216.309 3.423 50 0 BGAAHM Cc1ccc(-c2ccc(=S)[n-]n2)c(C)c1 ZINC000041229119 178322798 /nfs/dbraw/zinc/32/27/98/178322798.db2.gz ZVYNPOARHOHAOK-UHFFFAOYSA-N -1 3 216.309 3.423 50 0 BGAAHM CCOc1ccc(-c2ccc(=S)[n-]n2)cc1 ZINC000041258988 343417771 /nfs/dbraw/zinc/41/77/71/343417771.db2.gz FCPPNCYTGWMSMQ-UHFFFAOYSA-N -1 3 232.308 3.205 50 0 BGAAHM Cc1ccc(N)c(-c2cc(F)ccc2[O-])c1 ZINC000041661183 343422537 /nfs/dbraw/zinc/42/25/37/343422537.db2.gz KFGRBNCMNFYMNP-UHFFFAOYSA-N -1 3 217.243 3.089 50 0 BGAAHM CCCCC[C@@H](C)NC(=O)c1ccccc1[O-] ZINC000042208316 346753295 /nfs/dbraw/zinc/75/32/95/346753295.db2.gz QRJWITPTGBBNIS-LLVKDONJSA-N -1 3 235.327 3.091 50 0 BGAAHM CCCCC[C@H](C)NC(=O)c1ccccc1[O-] ZINC000042208319 374255024 /nfs/dbraw/zinc/25/50/24/374255024.db2.gz QRJWITPTGBBNIS-NSHDSACASA-N -1 3 235.327 3.091 50 0 BGAAHM [O-]c1cc(Br)cc(C(F)(F)F)c1 ZINC000042750102 183256778 /nfs/dbraw/zinc/25/67/78/183256778.db2.gz BWJBVICFLRSNNM-UHFFFAOYSA-N -1 3 241.006 3.174 50 0 BGAAHM O=C1C[C@H]2CCCC[C@@H]2c2ccc([O-])cc21 ZINC000045027561 356372082 /nfs/dbraw/zinc/37/20/82/356372082.db2.gz VYSBBTQKZSGCIX-KOLCDFICSA-N -1 3 216.280 3.252 50 0 BGAAHM O=C1C[C@@H]2CCCC[C@@H]2c2ccc([O-])cc21 ZINC000045027562 356371856 /nfs/dbraw/zinc/37/18/56/356371856.db2.gz VYSBBTQKZSGCIX-ONGXEEELSA-N -1 3 216.280 3.252 50 0 BGAAHM O=C1C[C@H]2CCCC[C@H]2c2ccc([O-])cc21 ZINC000045027563 356372169 /nfs/dbraw/zinc/37/21/69/356372169.db2.gz VYSBBTQKZSGCIX-MWLCHTKSSA-N -1 3 216.280 3.252 50 0 BGAAHM O=C1C[C@@H]2CCCC[C@H]2c2ccc([O-])cc21 ZINC000045027564 356372042 /nfs/dbraw/zinc/37/20/42/356372042.db2.gz VYSBBTQKZSGCIX-GXSJLCMTSA-N -1 3 216.280 3.252 50 0 BGAAHM [O-]c1cc(O)ccc1-c1csc(C2CC2)n1 ZINC000045811840 183264449 /nfs/dbraw/zinc/26/44/49/183264449.db2.gz BTGSTUIGPCEXEI-UHFFFAOYSA-N -1 3 233.292 3.099 50 0 BGAAHM CC(C)c1ccc(-c2cc(=O)[n-]c(=S)[nH]2)cc1 ZINC000045918683 343535808 /nfs/dbraw/zinc/53/58/08/343535808.db2.gz YMVXCIQXMMTOFI-UHFFFAOYSA-N -1 3 246.335 3.223 50 0 BGAAHM S=c1ccc(-c2ccccc2Cl)n[n-]1 ZINC000045918707 183315160 /nfs/dbraw/zinc/31/51/60/183315160.db2.gz BUNUSIRLROKFLX-UHFFFAOYSA-N -1 3 222.700 3.460 50 0 BGAAHM S=c1ccc(-c2cccc(Cl)c2)n[n-]1 ZINC000045918708 183315431 /nfs/dbraw/zinc/31/54/31/183315431.db2.gz VBTIGJNEUJXILU-UHFFFAOYSA-N -1 3 222.700 3.460 50 0 BGAAHM S=c1[n-]c(N2CCCCC2)nc2ccccc21 ZINC000045918777 132354956 /nfs/dbraw/zinc/35/49/56/132354956.db2.gz XNQGRHZTCJOLLU-UHFFFAOYSA-N -1 3 245.351 3.283 50 0 BGAAHM [O-]c1cccc(-c2ccccc2F)c1F ZINC000047204477 582909483 /nfs/dbraw/zinc/90/94/83/582909483.db2.gz SVXPLARBKMGMOZ-UHFFFAOYSA-N -1 3 206.191 3.337 50 0 BGAAHM [O-]c1cccc(-c2cccc(F)c2)c1F ZINC000047204478 582909481 /nfs/dbraw/zinc/90/94/81/582909481.db2.gz OUSPDIOBUUXNKF-UHFFFAOYSA-N -1 3 206.191 3.337 50 0 BGAAHM [O-]c1cccc(-c2ccc(F)cc2)c1F ZINC000047204479 582909465 /nfs/dbraw/zinc/90/94/65/582909465.db2.gz IHZRNOUFEWCZFQ-UHFFFAOYSA-N -1 3 206.191 3.337 50 0 BGAAHM [O-]c1ccc(-c2ccccc2F)cc1F ZINC000047204486 183264213 /nfs/dbraw/zinc/26/42/13/183264213.db2.gz RJJBJXSYRNWSIP-UHFFFAOYSA-N -1 3 206.191 3.337 50 0 BGAAHM [O-]c1ccc(-c2cccc(F)c2)cc1F ZINC000047204487 183264792 /nfs/dbraw/zinc/26/47/92/183264792.db2.gz JWEBZMMQFAMHHU-UHFFFAOYSA-N -1 3 206.191 3.337 50 0 BGAAHM [O-]c1ccc(-c2cccc(F)c2)c(F)c1 ZINC000047204490 183264570 /nfs/dbraw/zinc/26/45/70/183264570.db2.gz PJTKIUCJBNFPNF-UHFFFAOYSA-N -1 3 206.191 3.337 50 0 BGAAHM [O-]c1ccc(-c2ccc(F)cc2)c(F)c1 ZINC000047204491 183264434 /nfs/dbraw/zinc/26/44/34/183264434.db2.gz NRBIGGXSQDASKN-UHFFFAOYSA-N -1 3 206.191 3.337 50 0 BGAAHM [O-]c1ccc(Cl)cc1-c1cccnc1 ZINC000047216511 183271762 /nfs/dbraw/zinc/27/17/62/183271762.db2.gz BTVUKPKQAWQANG-UHFFFAOYSA-N -1 3 205.644 3.108 50 0 BGAAHM CCCc1cccc(CCC)c1NC(=O)N[O-] ZINC000048520909 368377311 /nfs/dbraw/zinc/37/73/11/368377311.db2.gz ABBRGTYOKVDUCB-UHFFFAOYSA-N -1 3 236.315 3.102 50 0 BGAAHM CCC(=O)c1cc(C)cc(Br)c1[O-] ZINC000052068496 350901855 /nfs/dbraw/zinc/90/18/55/350901855.db2.gz YEUFMIWSNYNQFS-UHFFFAOYSA-N -1 3 243.100 3.056 50 0 BGAAHM Cc1cc([O-])c(C(=O)C2CC2)c(C)c1Cl ZINC000052068547 350901732 /nfs/dbraw/zinc/90/17/32/350901732.db2.gz MACZJYQORZSBPV-UHFFFAOYSA-N -1 3 224.687 3.255 50 0 BGAAHM Cc1cccc(C(=O)Nc2ccccc2[O-])c1C ZINC000057535958 187272821 /nfs/dbraw/zinc/27/28/21/187272821.db2.gz UGIWODCWOYZKCH-UHFFFAOYSA-N -1 3 241.290 3.261 50 0 BGAAHM [O-]c1cncc(-c2ccccc2C(F)(F)F)c1 ZINC000065339425 183304776 /nfs/dbraw/zinc/30/47/76/183304776.db2.gz QOFDVVAQFNYDFY-UHFFFAOYSA-N -1 3 239.196 3.473 50 0 BGAAHM [O-]c1ccc(-c2cc(F)cc(F)c2)cc1F ZINC000065340829 183264648 /nfs/dbraw/zinc/26/46/48/183264648.db2.gz OAAFYLDTBQUEPF-UHFFFAOYSA-N -1 3 224.181 3.477 50 0 BGAAHM [O-]c1ccc(-c2cccc(F)c2F)cc1F ZINC000065340833 183264669 /nfs/dbraw/zinc/26/46/69/183264669.db2.gz STPKPWGELDDWIB-UHFFFAOYSA-N -1 3 224.181 3.477 50 0 BGAAHM [O-]c1ccc(-c2cc(F)ccc2F)cc1F ZINC000065340841 183264823 /nfs/dbraw/zinc/26/48/23/183264823.db2.gz DJGPWEIORWRIJM-UHFFFAOYSA-N -1 3 224.181 3.477 50 0 BGAAHM CCCC[C@@H](CC)CNC(=O)c1ccccc1[O-] ZINC000066324388 343865038 /nfs/dbraw/zinc/86/50/38/343865038.db2.gz DOMCZOJLIRYAJT-GFCCVEGCSA-N -1 3 249.354 3.338 50 0 BGAAHM CCCC[C@H](CC)CNC(=O)c1ccccc1[O-] ZINC000066324390 343864904 /nfs/dbraw/zinc/86/49/04/343864904.db2.gz DOMCZOJLIRYAJT-LBPRGKRZSA-N -1 3 249.354 3.338 50 0 BGAAHM COc1ccc(-c2cc(Cl)ccc2[O-])cn1 ZINC000067654791 175031833 /nfs/dbraw/zinc/03/18/33/175031833.db2.gz KPGFEKIHZCXYRS-UHFFFAOYSA-N -1 3 235.670 3.116 50 0 BGAAHM CC(=O)Nc1cccc(-c2ccc(F)cc2[O-])c1 ZINC000067934173 383959273 /nfs/dbraw/zinc/95/92/73/383959273.db2.gz YLANONPSJVHIPF-UHFFFAOYSA-N -1 3 245.253 3.157 50 0 BGAAHM CC(C)CN(C)C(=O)c1ccc(C(C)C)cc1[O-] ZINC000068465886 372997393 /nfs/dbraw/zinc/99/73/93/372997393.db2.gz AKYRJWVBIBXKFG-UHFFFAOYSA-N -1 3 249.354 3.244 50 0 BGAAHM O=C(C(=S)[N-]c1ccccc1)c1ccccc1 ZINC000068572175 384000434 /nfs/dbraw/zinc/00/04/34/384000434.db2.gz OIGYFCNFXIEPSJ-UHFFFAOYSA-N -1 3 241.315 3.309 50 0 BGAAHM CC(C)(C)C(=O)C(=S)[N-]c1ccccc1 ZINC000068572180 383999230 /nfs/dbraw/zinc/99/92/30/383999230.db2.gz JKWGKBVYAQVMHT-UHFFFAOYSA-N -1 3 221.325 3.041 50 0 BGAAHM [O-]c1ccccc1-c1nc(C2CC2)cs1 ZINC000068890672 351247203 /nfs/dbraw/zinc/24/72/03/351247203.db2.gz ZCHJEPGHEZCKHH-UHFFFAOYSA-N -1 3 217.293 3.393 50 0 BGAAHM CCC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000071445488 168255298 /nfs/dbraw/zinc/25/52/98/168255298.db2.gz IIFNJVYRGAIWER-UHFFFAOYSA-N -1 3 218.174 3.004 50 0 BGAAHM CCC(=O)c1ccc([O-])c(C(C)(C)C)c1 ZINC000071452284 168256231 /nfs/dbraw/zinc/25/62/31/168256231.db2.gz MISSQWPZDDVIME-UHFFFAOYSA-N -1 3 206.285 3.282 50 0 BGAAHM CC(C)(C)c1cc(C(=O)C2CC2)ccc1[O-] ZINC000071452307 643147038 /nfs/dbraw/zinc/14/70/38/643147038.db2.gz BKANEEJAMKPGLX-UHFFFAOYSA-N -1 3 218.296 3.282 50 0 BGAAHM CCCC(=O)c1ccc([O-])c(C(C)C)c1 ZINC000071455732 636831249 /nfs/dbraw/zinc/83/12/49/636831249.db2.gz SROYUCGRSWPWDG-UHFFFAOYSA-N -1 3 206.285 3.498 50 0 BGAAHM CC(C)c1cc(C(=O)C2CC2)ccc1[O-] ZINC000071455753 643147772 /nfs/dbraw/zinc/14/77/72/643147772.db2.gz BSDOVQVDHAVXQB-UHFFFAOYSA-N -1 3 204.269 3.108 50 0 BGAAHM CCC(=O)c1cc(C(C)C)c([O-])cc1C ZINC000071455971 168254468 /nfs/dbraw/zinc/25/44/68/168254468.db2.gz KWYHUAUCDNJKOT-UHFFFAOYSA-N -1 3 206.285 3.417 50 0 BGAAHM Cc1cc([O-])c(C(C)C)cc1C(=O)C1CC1 ZINC000071455995 178194677 /nfs/dbraw/zinc/19/46/77/178194677.db2.gz SKWQOJGBFMSVOD-UHFFFAOYSA-N -1 3 218.296 3.417 50 0 BGAAHM CC[C@@H](C)c1c([O-])c2c(cc1OC(C)C)CC2=O ZINC000075250782 170802196 /nfs/dbraw/zinc/80/21/96/170802196.db2.gz OQEDFQVTMCORLZ-SECBINFHSA-N -1 3 248.322 3.432 50 0 BGAAHM CC[C@H](C)c1c([O-])c2c(cc1OC(C)C)CC2=O ZINC000075250783 387375062 /nfs/dbraw/zinc/37/50/62/387375062.db2.gz OQEDFQVTMCORLZ-VIFPVBQESA-N -1 3 248.322 3.432 50 0 BGAAHM CCCCCCc1n[n-]c2ccccc2c1=O ZINC000075259912 356923018 /nfs/dbraw/zinc/92/30/18/356923018.db2.gz XKTXGKWPMXLJNH-UHFFFAOYSA-N -1 3 230.311 3.046 50 0 BGAAHM [O-]c1ccc(/C=C/c2nc3ccccc3[nH]2)cc1 ZINC000075278758 183265335 /nfs/dbraw/zinc/26/53/35/183265335.db2.gz RTGDJFAWINXOHF-JXMROGBWSA-N -1 3 236.274 3.439 50 0 BGAAHM CCOc1c(Cl)cc([O-])cc1Cl ZINC000075613754 398223736 /nfs/dbraw/zinc/22/37/36/398223736.db2.gz DHVFDHKZVRGESE-UHFFFAOYSA-N -1 3 207.056 3.098 50 0 BGAAHM Cc1c2ccccc2oc1-c1n[n-]c(=S)o1 ZINC000077067962 398252646 /nfs/dbraw/zinc/25/26/46/398252646.db2.gz MIMVPXJLPBMLBZ-UHFFFAOYSA-N -1 3 232.264 3.080 50 0 BGAAHM Cc1c(C)c(C(=O)c2ccccc2)ccc1[O-] ZINC000077922068 631332259 /nfs/dbraw/zinc/33/22/59/631332259.db2.gz LHSAIFDPDVUILS-UHFFFAOYSA-N -1 3 226.275 3.240 50 0 BGAAHM Cc1cccc(Oc2ccccc2[O-])c1 ZINC000078040462 384429153 /nfs/dbraw/zinc/42/91/53/384429153.db2.gz FNGJTDGPDNZUSQ-UHFFFAOYSA-N -1 3 200.237 3.493 50 0 BGAAHM [O-]c1ccc(C(F)(F)F)c(C(F)(F)F)c1 ZINC000079019700 183268103 /nfs/dbraw/zinc/26/81/03/183268103.db2.gz BWOZOFYROVHYEH-UHFFFAOYSA-N -1 3 230.107 3.430 50 0 BGAAHM Cc1ccc2c(Br)ccc([O-])c2n1 ZINC000082798918 398067165 /nfs/dbraw/zinc/06/71/65/398067165.db2.gz LUHAOSQDJPQPIL-UHFFFAOYSA-N -1 3 238.084 3.011 50 0 BGAAHM Cc1cc([O-])cc(C)c1C(=O)c1ccccc1 ZINC000083154530 178199577 /nfs/dbraw/zinc/19/95/77/178199577.db2.gz RZRVRBXMWQOUNM-UHFFFAOYSA-N -1 3 226.275 3.240 50 0 BGAAHM [O-]c1ccc2cc(Br)ccc2c1F ZINC000085221359 183284243 /nfs/dbraw/zinc/28/42/43/183284243.db2.gz KSOKMKCLAWKUAK-UHFFFAOYSA-N -1 3 241.059 3.447 50 0 BGAAHM Cc1nc(-c2cc(Cl)ccc2[O-])cs1 ZINC000085389665 384942021 /nfs/dbraw/zinc/94/20/21/384942021.db2.gz POUYAKYBFRYVNZ-UHFFFAOYSA-N -1 3 225.700 3.478 50 0 BGAAHM Cc1cc(C(=O)CC(C)C)c(C)cc1[O-] ZINC000088120876 644512038 /nfs/dbraw/zinc/51/20/38/644512038.db2.gz IXFDMBVJIMMRSL-UHFFFAOYSA-N -1 3 206.285 3.238 50 0 BGAAHM Cc1cc(C(=O)C(C)(C)C)c(C)cc1[O-] ZINC000088120877 644510259 /nfs/dbraw/zinc/51/02/59/644510259.db2.gz VYMRAVYNKNUAMX-UHFFFAOYSA-N -1 3 206.285 3.238 50 0 BGAAHM Cc1cc([O-])cc(C)c1C(=O)CC(C)C ZINC000088120881 644509856 /nfs/dbraw/zinc/50/98/56/644509856.db2.gz MRBYLJBGMJTXOD-UHFFFAOYSA-N -1 3 206.285 3.238 50 0 BGAAHM CC(C)C(=O)c1ccc([O-])c(C(C)C)c1 ZINC000088120903 383880767 /nfs/dbraw/zinc/88/07/67/383880767.db2.gz LRRSOFPQSXMDKB-UHFFFAOYSA-N -1 3 206.285 3.354 50 0 BGAAHM CC[C@@H](C)c1cc(C(=O)C2CC2)ccc1[O-] ZINC000088120906 644509754 /nfs/dbraw/zinc/50/97/54/644509754.db2.gz MRTITTLZVJSBPA-SECBINFHSA-N -1 3 218.296 3.498 50 0 BGAAHM CC[C@H](C)c1cc(C(=O)C2CC2)ccc1[O-] ZINC000088120907 644510282 /nfs/dbraw/zinc/51/02/82/644510282.db2.gz MRTITTLZVJSBPA-VIFPVBQESA-N -1 3 218.296 3.498 50 0 BGAAHM CCC(=O)c1ccc([O-])c([C@H](C)CC)c1 ZINC000088120914 644510175 /nfs/dbraw/zinc/51/01/75/644510175.db2.gz IIVISLQCCSJWAN-SECBINFHSA-N -1 3 206.285 3.498 50 0 BGAAHM CCC(=O)c1ccc([O-])c([C@@H](C)CC)c1 ZINC000088120915 644509864 /nfs/dbraw/zinc/50/98/64/644509864.db2.gz IIVISLQCCSJWAN-VIFPVBQESA-N -1 3 206.285 3.498 50 0 BGAAHM Cc1cc(C(=O)C2CC2)c(C(C)C)cc1[O-] ZINC000088120923 644509082 /nfs/dbraw/zinc/50/90/82/644509082.db2.gz AEGNPTGQBHVSGC-UHFFFAOYSA-N -1 3 218.296 3.417 50 0 BGAAHM CCC(=O)c1cc(C)c([O-])cc1C(C)C ZINC000088120927 644509878 /nfs/dbraw/zinc/50/98/78/644509878.db2.gz RXJRACOGEMDXQX-UHFFFAOYSA-N -1 3 206.285 3.417 50 0 BGAAHM Cc1c(C)c(C(=O)CC(C)C)ccc1[O-] ZINC000088120946 644510053 /nfs/dbraw/zinc/51/00/53/644510053.db2.gz FYEPCSGKFDZCAW-UHFFFAOYSA-N -1 3 206.285 3.238 50 0 BGAAHM Cc1c(C)c(C(=O)C(C)(C)C)ccc1[O-] ZINC000088120947 644509254 /nfs/dbraw/zinc/50/92/54/644509254.db2.gz RRCDFAHBPIADEV-UHFFFAOYSA-N -1 3 206.285 3.238 50 0 BGAAHM Cc1cc(C(=O)C(C)(C)C)cc(C)c1[O-] ZINC000088120956 644510449 /nfs/dbraw/zinc/51/04/49/644510449.db2.gz RERKCZFWENXVTB-UHFFFAOYSA-N -1 3 206.285 3.238 50 0 BGAAHM [O-]c1ccc(C(F)(F)F)c(Br)c1 ZINC000088190223 183267837 /nfs/dbraw/zinc/26/78/37/183267837.db2.gz YWJMFYOMJODKJY-UHFFFAOYSA-N -1 3 241.006 3.174 50 0 BGAAHM [O-]c1ccc(C(F)(F)F)cc1C(F)(F)F ZINC000090413525 183268116 /nfs/dbraw/zinc/26/81/16/183268116.db2.gz ZYIRCUJWEIIPCK-UHFFFAOYSA-N -1 3 230.107 3.430 50 0 BGAAHM Cc1cccc(NCc2nc(C)ccc2[O-])c1 ZINC000091993453 179152082 /nfs/dbraw/zinc/15/20/82/179152082.db2.gz HORWAULUDWCITR-UHFFFAOYSA-N -1 3 228.295 3.016 50 0 BGAAHM Fc1ccc2c(c1)cc(Cl)[n-]c2=S ZINC000095099982 384366490 /nfs/dbraw/zinc/36/64/90/384366490.db2.gz JAOIDCZUAMDYHY-UHFFFAOYSA-N -1 3 213.664 3.316 50 0 BGAAHM CC(C)c1cc([O-])cc(Br)c1 ZINC000095710339 384389566 /nfs/dbraw/zinc/38/95/66/384389566.db2.gz SGAOHCAASRMQOF-UHFFFAOYSA-N -1 3 215.090 3.278 50 0 BGAAHM CC(C)Oc1ccc([O-])c(C(F)(F)F)c1 ZINC000095710731 167298046 /nfs/dbraw/zinc/29/80/46/167298046.db2.gz JUEDMDPOHOJEEU-UHFFFAOYSA-N -1 3 220.190 3.198 50 0 BGAAHM CSc1ccc([O-])c(C(F)(F)F)c1 ZINC000095721640 188147095 /nfs/dbraw/zinc/14/70/95/188147095.db2.gz QGNXAYCLQGGPFT-UHFFFAOYSA-N -1 3 208.204 3.133 50 0 BGAAHM O=C1c2ccccc2CSc2ccc([O-])cc21 ZINC000096235109 384445556 /nfs/dbraw/zinc/44/55/56/384445556.db2.gz SPVFHNOUQOKJAQ-UHFFFAOYSA-N -1 3 242.299 3.229 50 0 BGAAHM O=C(CCC1CCC1)Nc1ccc([O-])cc1F ZINC000097083427 491124725 /nfs/dbraw/zinc/12/47/25/491124725.db2.gz SMKDUSDQNAPOMB-UHFFFAOYSA-N -1 3 237.274 3.050 50 0 BGAAHM CC(C)c1ccc(C2CC(=O)C=C([O-])C2)cc1 ZINC000100014334 384609184 /nfs/dbraw/zinc/60/91/84/384609184.db2.gz GZEOADDHUHXTCJ-UHFFFAOYSA-N -1 3 230.307 3.216 50 0 BGAAHM Cc1cc(C)c(C2CC(=O)C=C([O-])C2)c(C)c1 ZINC000100048079 387471281 /nfs/dbraw/zinc/47/12/81/387471281.db2.gz RGCPDRWZRFMXHQ-UHFFFAOYSA-N -1 3 230.307 3.018 50 0 BGAAHM CC(C)(C)c1ccc(C2CC(=O)C=C([O-])C2)cc1 ZINC000100152820 384620939 /nfs/dbraw/zinc/62/09/39/384620939.db2.gz DOBCYMOHKDQMLM-UHFFFAOYSA-N -1 3 244.334 3.390 50 0 BGAAHM O=c1o[n-]c(-c2ccccc2)c1-c1ccccc1 ZINC000100494049 183011435 /nfs/dbraw/zinc/01/14/35/183011435.db2.gz KZWBGELYVCMLRK-UHFFFAOYSA-N -1 3 237.258 3.302 50 0 BGAAHM Cc1coc2cc3o/c(=N/[O-])cc(C)c3cc12 ZINC000100788843 387473368 /nfs/dbraw/zinc/47/33/68/387473368.db2.gz SYQJDLILIXDYBN-BUHFOSPRSA-N -1 3 229.235 3.086 50 0 BGAAHM Cc1oc2cc3o/c(=N/[O-])cc(C)c3cc2c1C ZINC000100788879 387473531 /nfs/dbraw/zinc/47/35/31/387473531.db2.gz TXSFOBBWPXNVCN-CCEZHUSRSA-N -1 3 243.262 3.394 50 0 BGAAHM Cc1coc2c1cc1c(C)c/c(=N\[O-])oc1c2C ZINC000100788944 191117520 /nfs/dbraw/zinc/11/75/20/191117520.db2.gz KRDBWADLSGOZRH-NTCAYCPXSA-N -1 3 243.262 3.394 50 0 BGAAHM [O-]c1ccc(Br)c(C(F)F)c1 ZINC000107267767 183268278 /nfs/dbraw/zinc/26/82/78/183268278.db2.gz OIIMOBHFWYLZBY-UHFFFAOYSA-N -1 3 223.016 3.092 50 0 BGAAHM CCc1oc2cc(Cl)cc(Cl)c2c1[O-] ZINC000113208636 588827253 /nfs/dbraw/zinc/82/72/53/588827253.db2.gz FDHDQOBRLSZHEU-ZETCQYMHSA-N -1 3 231.078 3.347 50 0 BGAAHM [O-]c1cccc2scc(Br)c21 ZINC000114830821 183298224 /nfs/dbraw/zinc/29/82/24/183298224.db2.gz BIXYSKIJYNQIGR-UHFFFAOYSA-N -1 3 229.098 3.369 50 0 BGAAHM Cc1cc(C(=O)c2ccccc2)c(C)cc1[O-] ZINC000129729030 591391378 /nfs/dbraw/zinc/39/13/78/591391378.db2.gz MDWWYJXDIMXLHU-UHFFFAOYSA-N -1 3 226.275 3.240 50 0 BGAAHM [O-]c1ccc(CN2CCCCC2)cc1Cl ZINC000132495271 183269033 /nfs/dbraw/zinc/26/90/33/183269033.db2.gz NZYVTXMMWGRQNR-UHFFFAOYSA-N -1 3 225.719 3.032 50 0 BGAAHM [O-]c1ccc(OCc2ccccc2)c(F)c1F ZINC000138821291 368391265 /nfs/dbraw/zinc/39/12/65/368391265.db2.gz LAHDIBOQQCUSEG-UHFFFAOYSA-N -1 3 236.217 3.249 50 0 BGAAHM [O-]c1ccccc1Oc1ccccc1F ZINC000146896060 183304245 /nfs/dbraw/zinc/30/42/45/183304245.db2.gz ULFVFOMZJIBKKV-UHFFFAOYSA-N -1 3 204.200 3.324 50 0 BGAAHM Cc1cc([O-])cc(Cl)c1Br ZINC000166856241 368394802 /nfs/dbraw/zinc/39/48/02/368394802.db2.gz HLSGKNUHUDYLGD-UHFFFAOYSA-N -1 3 221.481 3.117 50 0 BGAAHM [O-]c1ccccc1Oc1cccc(F)c1 ZINC000168131643 183304229 /nfs/dbraw/zinc/30/42/29/183304229.db2.gz ALBIMRSALGZWLE-UHFFFAOYSA-N -1 3 204.200 3.324 50 0 BGAAHM CCC(CC)C(=O)Nc1c(C)cccc1[O-] ZINC000193356429 168339888 /nfs/dbraw/zinc/33/98/88/168339888.db2.gz SKBWFOBPDUHVEM-UHFFFAOYSA-N -1 3 221.300 3.075 50 0 BGAAHM CC(C)Oc1c(Cl)cc([O-])cc1Cl ZINC000238206549 167285275 /nfs/dbraw/zinc/28/52/75/167285275.db2.gz FMYPDYQGLVKKKP-UHFFFAOYSA-N -1 3 221.083 3.486 50 0 BGAAHM [O-]c1cc(C(F)F)cc(C(F)(F)F)c1 ZINC000238672841 345106156 /nfs/dbraw/zinc/10/61/56/345106156.db2.gz LVOBXDFAFFNPBH-UHFFFAOYSA-N -1 3 212.117 3.349 50 0 BGAAHM [O-]c1ccc(C(F)(F)F)cc1C(F)F ZINC000238713325 345116204 /nfs/dbraw/zinc/11/62/04/345116204.db2.gz WHODGZDANICEIA-UHFFFAOYSA-N -1 3 212.117 3.349 50 0 BGAAHM [O-]c1ccc(Oc2cccc(Cl)c2)nc1 ZINC000238728342 135078088 /nfs/dbraw/zinc/07/80/88/135078088.db2.gz GGTMMYCKFLJKRR-UHFFFAOYSA-N -1 3 221.643 3.233 50 0 BGAAHM [O-]c1ccc(Cl)cc1C=NNc1ccccc1 ZINC000252475194 363333924 /nfs/dbraw/zinc/33/39/24/363333924.db2.gz VRMVJUHHBGGORX-UHFFFAOYSA-N -1 3 246.697 3.492 50 0 BGAAHM [O-]c1ccccc1C=NNc1ccc(F)cc1F ZINC000254758979 388359393 /nfs/dbraw/zinc/35/93/93/388359393.db2.gz OWPVQQOXYGNLPR-UHFFFAOYSA-N -1 3 248.232 3.116 50 0 BGAAHM [O-]c1cc(CN2CCCCC2)ccc1Cl ZINC000258053236 183257707 /nfs/dbraw/zinc/25/77/07/183257707.db2.gz FSZJTLYLVGGZHH-UHFFFAOYSA-N -1 3 225.719 3.032 50 0 BGAAHM CCCCOc1c(F)c(C)cc([O-])c1F ZINC000261493421 351119138 /nfs/dbraw/zinc/11/91/38/351119138.db2.gz AQWKJPXHONTWJA-UHFFFAOYSA-N -1 3 216.227 3.158 50 0 BGAAHM CCCCOc1c(Cl)ccc([O-])c1F ZINC000261493453 351119496 /nfs/dbraw/zinc/11/94/96/351119496.db2.gz BJTNIEXLLQLMNJ-UHFFFAOYSA-N -1 3 218.655 3.364 50 0 BGAAHM CCCCOc1cc([O-])cc(Cl)c1F ZINC000261493469 351119116 /nfs/dbraw/zinc/11/91/16/351119116.db2.gz BUVVQOPCNMZIGF-UHFFFAOYSA-N -1 3 218.655 3.364 50 0 BGAAHM CCCOc1ccc([O-])c(C(F)(F)F)c1 ZINC000261493534 169320359 /nfs/dbraw/zinc/32/03/59/169320359.db2.gz CZQRLWMUGXEEJV-UHFFFAOYSA-N -1 3 220.190 3.200 50 0 BGAAHM CCCCOc1cc([O-])cc(Br)c1 ZINC000261493609 351119202 /nfs/dbraw/zinc/11/92/02/351119202.db2.gz FUQXFIMIZNAROW-UHFFFAOYSA-N -1 3 245.116 3.334 50 0 BGAAHM [O-]c1cc(F)cc(OCc2ccccc2)c1 ZINC000261493621 183259661 /nfs/dbraw/zinc/25/96/61/183259661.db2.gz GBDLPFXHEXUAKR-UHFFFAOYSA-N -1 3 218.227 3.110 50 0 BGAAHM [O-]c1cc(OCc2ccccc2)ccc1F ZINC000261493647 183261395 /nfs/dbraw/zinc/26/13/95/183261395.db2.gz GNEXGGOJHFERQX-UHFFFAOYSA-N -1 3 218.227 3.110 50 0 BGAAHM CCCOc1cc([O-])cc(C(F)(F)F)c1F ZINC000261493659 169315768 /nfs/dbraw/zinc/31/57/68/169315768.db2.gz GQZWSHJVOFZQNB-UHFFFAOYSA-N -1 3 238.180 3.339 50 0 BGAAHM [O-]c1cc(F)cc(F)c1OCc1ccccc1 ZINC000261493662 183260004 /nfs/dbraw/zinc/26/00/04/183260004.db2.gz GRWYIELKIZBZNC-UHFFFAOYSA-N -1 3 236.217 3.249 50 0 BGAAHM CC(C)CCOc1cc([O-])c(F)cc1F ZINC000261493675 385815169 /nfs/dbraw/zinc/81/51/69/385815169.db2.gz GWMZSTLPEYGJTL-UHFFFAOYSA-N -1 3 216.227 3.095 50 0 BGAAHM [O-]c1cc(F)ccc1OCc1ccc(F)cc1 ZINC000261493693 188193198 /nfs/dbraw/zinc/19/31/98/188193198.db2.gz HEFDDDUJSWCSKI-UHFFFAOYSA-N -1 3 236.217 3.249 50 0 BGAAHM Cc1cc([O-])c(F)c(OCC(C)C)c1F ZINC000261493713 178196735 /nfs/dbraw/zinc/19/67/35/178196735.db2.gz HSKYZIFVGJMZNM-UHFFFAOYSA-N -1 3 216.227 3.014 50 0 BGAAHM CCCCOc1c(F)cc([O-])cc1Cl ZINC000261493817 351119824 /nfs/dbraw/zinc/11/98/24/351119824.db2.gz JZCKYHZGZGJQNQ-UHFFFAOYSA-N -1 3 218.655 3.364 50 0 BGAAHM Cc1cc(Cl)c([O-])cc1OCc1cccnc1 ZINC000261493998 178060581 /nfs/dbraw/zinc/06/05/81/178060581.db2.gz NVACBPWEIMODLV-UHFFFAOYSA-N -1 3 249.697 3.328 50 0 BGAAHM [O-]c1cc(Cl)cnc1OCc1ccccc1 ZINC000261494039 183258541 /nfs/dbraw/zinc/25/85/41/183258541.db2.gz OIMSOVXQVNPLLK-UHFFFAOYSA-N -1 3 235.670 3.020 50 0 BGAAHM [O-]c1cc(F)ccc1OCc1ccccc1 ZINC000261494054 188370866 /nfs/dbraw/zinc/37/08/66/188370866.db2.gz ORISGXUZQKJNOS-UHFFFAOYSA-N -1 3 218.227 3.110 50 0 BGAAHM CC(C)COc1ccc([O-])c(C(F)(F)F)c1 ZINC000261494181 491106894 /nfs/dbraw/zinc/10/68/94/491106894.db2.gz ROFADNKNVAUWNG-UHFFFAOYSA-N -1 3 234.217 3.446 50 0 BGAAHM CCCCOc1cc([O-])cc(Cl)c1 ZINC000261494281 491106905 /nfs/dbraw/zinc/10/69/05/491106905.db2.gz UCPUYHJJSUWKII-UHFFFAOYSA-N -1 3 200.665 3.225 50 0 BGAAHM CC(C)COc1cc([O-])cc(Cl)c1 ZINC000261494285 491106914 /nfs/dbraw/zinc/10/69/14/491106914.db2.gz UFPASESMRYDVEK-UHFFFAOYSA-N -1 3 200.665 3.080 50 0 BGAAHM CC(C)Sc1ncc(C(F)(F)F)cc1[O-] ZINC000261494345 167338222 /nfs/dbraw/zinc/33/82/22/167338222.db2.gz VJZKXSOAVJSZGJ-UHFFFAOYSA-N -1 3 237.246 3.307 50 0 BGAAHM CC(C)COc1cc([O-])cc(Br)c1 ZINC000261494352 188020298 /nfs/dbraw/zinc/02/02/98/188020298.db2.gz VOULKFJJMYORMP-UHFFFAOYSA-N -1 3 245.116 3.190 50 0 BGAAHM [O-]c1cc(OCc2ccccc2)c(F)cc1F ZINC000261494368 183261462 /nfs/dbraw/zinc/26/14/62/183261462.db2.gz VVRXWROSSBRIEZ-UHFFFAOYSA-N -1 3 236.217 3.249 50 0 BGAAHM CCCOc1c(Cl)cc([O-])cc1Cl ZINC000261494458 169313726 /nfs/dbraw/zinc/31/37/26/169313726.db2.gz YDJHUCNKRMBIAZ-UHFFFAOYSA-N -1 3 221.083 3.488 50 0 BGAAHM CCCSc1ncc(C(F)(F)F)cc1[O-] ZINC000261494490 169342448 /nfs/dbraw/zinc/34/24/48/169342448.db2.gz YVLNKALBXXWXJD-UHFFFAOYSA-N -1 3 237.246 3.308 50 0 BGAAHM [O-]c1cc(Cl)c(Cl)cc1OC(F)F ZINC000263623165 183256781 /nfs/dbraw/zinc/25/67/81/183256781.db2.gz FHNKEYDXJHBPDT-UHFFFAOYSA-N -1 3 229.009 3.300 50 0 BGAAHM [O-]c1cc(Cl)c(Cl)c(OC(F)F)c1 ZINC000263623494 183257268 /nfs/dbraw/zinc/25/72/68/183257268.db2.gz HXYDXKLSJSKZEV-UHFFFAOYSA-N -1 3 229.009 3.300 50 0 BGAAHM [O-]c1cc(Cl)cc(Cl)c1OC(F)F ZINC000263624229 183259008 /nfs/dbraw/zinc/25/90/08/183259008.db2.gz ONCBODLOZACQJO-UHFFFAOYSA-N -1 3 229.009 3.300 50 0 BGAAHM [O-]c1ccc(Cl)c(Cl)c1OC(F)F ZINC000263624981 183272199 /nfs/dbraw/zinc/27/21/99/183272199.db2.gz VTLOALWKWNZURF-UHFFFAOYSA-N -1 3 229.009 3.300 50 0 BGAAHM [O-]c1cc(Cl)c(OC(F)F)c(Cl)c1 ZINC000263625150 183256433 /nfs/dbraw/zinc/25/64/33/183256433.db2.gz XEIKNBWFDIIBGZ-UHFFFAOYSA-N -1 3 229.009 3.300 50 0 BGAAHM COc1ccc([O-])c(-c2cc(C)c(C)c(C)n2)c1 ZINC000426498782 387577554 /nfs/dbraw/zinc/57/75/54/387577554.db2.gz XCCMYSIICIOULT-UHFFFAOYSA-N -1 3 243.306 3.388 50 0 BGAAHM [O-]c1cccnc1-c1cc(F)cc2cccnc21 ZINC000426535684 191096637 /nfs/dbraw/zinc/09/66/37/191096637.db2.gz JASSLXSAVLFZJJ-UHFFFAOYSA-N -1 3 240.237 3.142 50 0 BGAAHM O=c1ccnc(C=Cc2sccc2Cl)[n-]1 ZINC000710024911 712241145 /nfs/dbraw/zinc/24/11/45/712241145.db2.gz SGLTXNGPRPKFMB-UPHRSURJSA-N -1 3 238.699 3.068 50 0 BGAAHM O=Cc1ccccc1-c1cccc([O-])c1F ZINC000725270004 538102048 /nfs/dbraw/zinc/10/20/48/538102048.db2.gz BNGXUSRJSNLVML-UHFFFAOYSA-N -1 3 216.211 3.011 50 0 BGAAHM O=Cc1cccc(F)c1-c1cccc([O-])c1F ZINC000725270046 538101882 /nfs/dbraw/zinc/10/18/82/538101882.db2.gz DIMXJKHALDEKJS-UHFFFAOYSA-N -1 3 234.201 3.150 50 0 BGAAHM O=Cc1ccc(-c2cccc([O-])c2F)cc1F ZINC000725270047 538102237 /nfs/dbraw/zinc/10/22/37/538102237.db2.gz DJXUOCADEAVELM-UHFFFAOYSA-N -1 3 234.201 3.150 50 0 BGAAHM O=Cc1sccc1-c1cccc([O-])c1F ZINC000725270307 538102536 /nfs/dbraw/zinc/10/25/36/538102536.db2.gz FXMJOWJZLBVPAN-UHFFFAOYSA-N -1 3 222.240 3.072 50 0 BGAAHM Cc1cc(C=O)ccc1-c1cccc([O-])c1F ZINC000725270367 538102208 /nfs/dbraw/zinc/10/22/08/538102208.db2.gz JBCAUMFKIQVEGX-UHFFFAOYSA-N -1 3 230.238 3.319 50 0 BGAAHM O=Cc1c(F)cccc1-c1cccc([O-])c1F ZINC000725270373 538102344 /nfs/dbraw/zinc/10/23/44/538102344.db2.gz JJUSMEAEIDSBJO-UHFFFAOYSA-N -1 3 234.201 3.150 50 0 BGAAHM COc1cc(F)cc(-c2cccc([O-])c2F)c1 ZINC000725270654 538102721 /nfs/dbraw/zinc/10/27/21/538102721.db2.gz OZQXDASWCWSGBB-UHFFFAOYSA-N -1 3 236.217 3.346 50 0 BGAAHM O=Cc1cc(F)ccc1-c1cccc([O-])c1F ZINC000725271003 538103131 /nfs/dbraw/zinc/10/31/31/538103131.db2.gz XVAVAXXYGZWWAY-UHFFFAOYSA-N -1 3 234.201 3.150 50 0 BGAAHM O=Cc1ccc(-c2cccc([O-])c2F)cc1 ZINC000725272044 538104000 /nfs/dbraw/zinc/10/40/00/538104000.db2.gz YIBMZMRQAQCQBZ-UHFFFAOYSA-N -1 3 216.211 3.011 50 0 BGAAHM O=C(c1ccsc1)c1coc2ccc([O-])cc21 ZINC000888088222 583168756 /nfs/dbraw/zinc/16/87/56/583168756.db2.gz JZGFLQGDSRLDCY-UHFFFAOYSA-N -1 3 244.271 3.431 50 0 BGAAHM