smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [O-]c1cccc(Cl)c1CNCc1cocn1 ZINC000381566092 710657418 /nfs/dbraw/zinc/65/74/18/710657418.db2.gz UJGCUAQTAVESEY-UHFFFAOYSA-N -1 3 238.674 2.323 20 10 BECDHM CC[C@@]1(C)CCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000399303098 711427679 /nfs/dbraw/zinc/42/76/79/711427679.db2.gz OAOFZEOFOQSXFD-AWEZNQCLSA-N -1 3 249.310 2.360 20 10 BECDHM CC1(C)C[C@]1(C)NC(=O)c1cccc(O)c1[O-] ZINC000702346114 712045655 /nfs/dbraw/zinc/04/56/55/712045655.db2.gz OZCIPKQKFNFSDB-ZDUSSCGKSA-N -1 3 235.283 2.016 20 10 BECDHM O=C(c1cccc(O)c1[O-])N1CCC12CCCC2 ZINC000707150332 712166231 /nfs/dbraw/zinc/16/62/31/712166231.db2.gz CLKACHHIOBWGIY-UHFFFAOYSA-N -1 3 247.294 2.257 20 10 BECDHM [O-]c1ccc(Cl)cc1CNCc1cocn1 ZINC000390816034 712427645 /nfs/dbraw/zinc/42/76/45/712427645.db2.gz KSQZRFOPMHGVLH-UHFFFAOYSA-N -1 3 238.674 2.323 20 10 BECDHM CNc1ccccc1NCc1ncccc1[O-] ZINC001169731913 1168500745 /nfs/dbraw/zinc/50/07/45/1168500745.db2.gz JERGQLVQOBHHBD-UHFFFAOYSA-N -1 3 229.283 2.441 20 10 BECDHM CC(C)[C@H]([NH2+][C@@H]1CCc2cccc([O-])c21)C(=O)[O-] ZINC000386531656 951300079 /nfs/dbraw/zinc/30/00/79/951300079.db2.gz PEQJOGHMMXLHPB-MFKMUULPSA-N -1 3 249.310 2.078 20 10 BECDHM CC[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])C(=O)[O-] ZINC001593606873 953434681 /nfs/dbraw/zinc/43/46/81/953434681.db2.gz BZWFWINEXITSCK-OIBJUYFYSA-N -1 3 241.262 2.045 20 10 BECDHM O=C1CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC001203650957 966720734 /nfs/dbraw/zinc/72/07/34/966720734.db2.gz HBVTVYQFLVJXBW-UHFFFAOYSA-N -1 3 239.702 2.211 20 10 BECDHM C[C@H]([NH2+]CCCC(=O)[O-])c1cc(F)ccc1[O-] ZINC000094617589 967600684 /nfs/dbraw/zinc/60/06/84/967600684.db2.gz NCPHZICKRBMGSV-QMMMGPOBSA-N -1 3 241.262 2.047 20 10 BECDHM [O-]c1c(O)cccc1-c1nnc(C2CCC2)o1 ZINC001255161420 969970678 /nfs/dbraw/zinc/97/06/78/969970678.db2.gz LZVLJYPXZJQKFU-UHFFFAOYSA-N -1 3 232.239 2.415 20 10 BECDHM C[C@@H]([NH2+][C@@H](C)CC(=O)[O-])c1cc(F)ccc1[O-] ZINC001609888490 970587548 /nfs/dbraw/zinc/58/75/48/970587548.db2.gz MWGXGEVHMJMNGI-JGVFFNPUSA-N -1 3 241.262 2.045 20 10 BECDHM CC1(C)CC[N@H+](Cc2cc(C(=O)[O-])ccc2[O-])C1 ZINC001231564612 977637071 /nfs/dbraw/zinc/63/70/71/977637071.db2.gz UNFWNSSGBZNVPT-UHFFFAOYSA-N -1 3 249.310 2.322 20 10 BECDHM CC1(C)CC[N@@H+](Cc2cc(C(=O)[O-])ccc2[O-])C1 ZINC001231564612 977637075 /nfs/dbraw/zinc/63/70/75/977637075.db2.gz UNFWNSSGBZNVPT-UHFFFAOYSA-N -1 3 249.310 2.322 20 10 BECDHM Cc1cc([O-])c(CN2CCC(=O)C2)cc1Cl ZINC001231870861 977756171 /nfs/dbraw/zinc/75/61/71/977756171.db2.gz VKZRATLGWVHXDO-UHFFFAOYSA-N -1 3 239.702 2.129 20 10 BECDHM C[C@H]1CCN1Cc1ccc(F)c(F)c1[O-] ZINC001233073816 978455916 /nfs/dbraw/zinc/45/59/16/978455916.db2.gz CZKILUILJFBLQS-ZETCQYMHSA-N -1 3 213.227 2.265 20 10 BECDHM C[C@@H]([NH2+][C@@H](C)[C@H]1C[C@H]1C(=O)[O-])c1ccccc1[O-] ZINC001604357520 979626993 /nfs/dbraw/zinc/62/69/93/979626993.db2.gz KZYMWQHKXYNHPU-RBLKWDMZSA-N -1 3 249.310 2.152 20 10 BECDHM CC/C=C/NC(=O)c1ccc([O-])c(O)c1Cl ZINC001193247265 981277447 /nfs/dbraw/zinc/27/74/47/981277447.db2.gz REXJZFALLMBKKW-ZZXKWVIFSA-N -1 3 241.674 2.405 20 10 BECDHM CCCC[N@H+](CC(=O)[O-])Cc1ccccc1[O-] ZINC001595741727 982403552 /nfs/dbraw/zinc/40/35/52/982403552.db2.gz POMYYHWTWHSQKK-UHFFFAOYSA-N -1 3 237.299 2.079 20 10 BECDHM CCCC[N@@H+](CC(=O)[O-])Cc1ccccc1[O-] ZINC001595741727 982403556 /nfs/dbraw/zinc/40/35/56/982403556.db2.gz POMYYHWTWHSQKK-UHFFFAOYSA-N -1 3 237.299 2.079 20 10 BECDHM Cc1ccc(C(=O)NCc2c([O-])cccc2F)o1 ZINC001456109496 985109798 /nfs/dbraw/zinc/10/97/98/985109798.db2.gz YRPAILDGIFINKP-UHFFFAOYSA-N -1 3 249.241 2.363 20 10 BECDHM [O-]c1cccc(F)c1CN1CCC[C@@H](F)C1 ZINC001137837359 990855593 /nfs/dbraw/zinc/85/55/93/990855593.db2.gz CSMAOHHVPCOMNI-SECBINFHSA-N -1 3 227.254 2.465 20 10 BECDHM [O-]c1cccc(F)c1CNCc1ccns1 ZINC001308948595 991228429 /nfs/dbraw/zinc/22/84/29/991228429.db2.gz PSOWRPVJEJKFNR-UHFFFAOYSA-N -1 3 238.287 2.278 20 10 BECDHM CCN(Cc1c([O-])cccc1Cl)C1COC1 ZINC001140341372 991610721 /nfs/dbraw/zinc/61/07/21/991610721.db2.gz KPQKVWMFSPPDPN-UHFFFAOYSA-N -1 3 241.718 2.266 20 10 BECDHM C[C@@H]([NH2+]C1CCC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593221944 994328518 /nfs/dbraw/zinc/32/85/18/994328518.db2.gz DLWOUUJEPYBEDU-MRVPVSSYSA-N -1 3 235.283 2.294 20 10 BECDHM Cc1coc(C(=O)NCc2c([O-])cccc2F)c1 ZINC001303875743 995175999 /nfs/dbraw/zinc/17/59/99/995175999.db2.gz NAGKJERKCGXSBO-UHFFFAOYSA-N -1 3 249.241 2.363 20 10 BECDHM CC[C@H]1CCN(C(=O)c2cccc(O)c2[O-])[C@H]1C ZINC001625627126 1171108740 /nfs/dbraw/zinc/10/87/40/1171108740.db2.gz PVHURIHWVFRZOZ-UWVGGRQHSA-N -1 3 249.310 2.358 20 10 BECDHM Cc1ccc(C(=O)N(C)C2CCC2)c([O-])c1O ZINC000179521367 178375312 /nfs/dbraw/zinc/37/53/12/178375312.db2.gz HBKFNANFQCOYMI-UHFFFAOYSA-N -1 3 235.283 2.031 20 10 BECDHM CC(C)CN(C(=O)c1cccc(O)c1[O-])C1CC1 ZINC000126334684 345115545 /nfs/dbraw/zinc/11/55/45/345115545.db2.gz QHPVDMKRRZVAGZ-UHFFFAOYSA-N -1 3 249.310 2.358 20 10 BECDHM CC(C)N(C(=O)c1cccc(O)c1[O-])C1CC1 ZINC000188398269 187313113 /nfs/dbraw/zinc/31/31/13/187313113.db2.gz HXVLBZDJMFESDL-UHFFFAOYSA-N -1 3 235.283 2.111 20 10 BECDHM [O-]c1c(Cl)cccc1CNCCF ZINC000280847952 188031984 /nfs/dbraw/zinc/03/19/84/188031984.db2.gz ZCBOBCSBDUPTTC-UHFFFAOYSA-N -1 3 203.644 2.105 20 10 BECDHM CC1(C)CC[C@@H]1NC(=O)c1cccc(O)c1[O-] ZINC000286619177 359369800 /nfs/dbraw/zinc/36/98/00/359369800.db2.gz AGUXZSGXJQASNB-JTQLQIEISA-N -1 3 235.283 2.016 20 10 BECDHM O=C(NC[C@H]1CC=CCC1)c1cccc(O)c1[O-] ZINC000126365470 182234919 /nfs/dbraw/zinc/23/49/19/182234919.db2.gz PCJKRDPRFSSKEI-JTQLQIEISA-N -1 3 247.294 2.184 20 10 BECDHM [O-]c1ccc(Br)cc1CNCCF ZINC000280816240 183266820 /nfs/dbraw/zinc/26/68/20/183266820.db2.gz USSXPRMJOXOURW-UHFFFAOYSA-N -1 3 248.095 2.214 20 10 BECDHM CN(Cc1cccc(Cl)c1[O-])[C@@H]1CCOC1 ZINC000162818167 384692728 /nfs/dbraw/zinc/69/27/28/384692728.db2.gz OBSHHSHJLVQNNC-SNVBAGLBSA-N -1 3 241.718 2.266 20 10 BECDHM CC1(C)CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000126429459 384777333 /nfs/dbraw/zinc/77/73/33/384777333.db2.gz SBNDJSRMGIHQKS-UHFFFAOYSA-N -1 3 249.310 2.360 20 10 BECDHM CCC[C@H](CC)NC(=O)c1cccc(O)c1[O-] ZINC000126374397 384795144 /nfs/dbraw/zinc/79/51/44/384795144.db2.gz YBSKMRRMBPXCSP-VIFPVBQESA-N -1 3 237.299 2.406 20 10 BECDHM CC(C)[C@@H]1CCCN1C(=O)c1cccc(O)c1[O-] ZINC000126462349 384800175 /nfs/dbraw/zinc/80/01/75/384800175.db2.gz OXTTUVYJIPCWGA-NSHDSACASA-N -1 3 249.310 2.358 20 10 BECDHM CC[C@H]1CCC[C@@H]1NC(=O)c1cccc(O)c1[O-] ZINC000279293218 385092332 /nfs/dbraw/zinc/09/23/32/385092332.db2.gz MOBJHBAYZMIFJC-ONGXEEELSA-N -1 3 249.310 2.406 20 10 BECDHM CCCCN(C)C(=O)c1ccc(C)c(O)c1[O-] ZINC000177664605 385272268 /nfs/dbraw/zinc/27/22/68/385272268.db2.gz AGJJIBHBEGTZCV-UHFFFAOYSA-N -1 3 237.299 2.278 20 10 BECDHM [O-]c1ccccc1CN1CCC[C@@H]1c1ncon1 ZINC000361053745 385527908 /nfs/dbraw/zinc/52/79/08/385527908.db2.gz SNZIRWJWZPTBPI-LLVKDONJSA-N -1 3 245.282 2.112 20 10 BECDHM CC[C@H]1CCN(C(=O)c2ccc(C)c(O)c2[O-])C1 ZINC000182587556 385686538 /nfs/dbraw/zinc/68/65/38/385686538.db2.gz HJUZHWBCFUYLLH-JTQLQIEISA-N -1 3 249.310 2.278 20 10 BECDHM C[C@H](N(C)C(=O)c1cccc(O)c1[O-])C1(C)CC1 ZINC000185817622 385739995 /nfs/dbraw/zinc/73/99/95/385739995.db2.gz QBLCYUHQRVWDFM-VIFPVBQESA-N -1 3 249.310 2.358 20 10 BECDHM Cc1c[nH]nc1CN(C)Cc1ccccc1[O-] ZINC000290411181 386429854 /nfs/dbraw/zinc/42/98/54/386429854.db2.gz LIDDVIPIEAWYJI-UHFFFAOYSA-N -1 3 231.299 2.056 20 10 BECDHM C[C@H](NCc1ccccc1[O-])C(F)(F)F ZINC000277226792 388353715 /nfs/dbraw/zinc/35/37/15/388353715.db2.gz YJKINDFQGXTMOX-ZETCQYMHSA-N -1 3 219.206 2.433 20 10 BECDHM Cc1nccc(NCc2c([O-])cccc2F)n1 ZINC001651438847 1172952645 /nfs/dbraw/zinc/95/26/45/1172952645.db2.gz SKZRIYBFXVIQEZ-UHFFFAOYSA-N -1 3 233.246 2.242 20 10 BECDHM CC(C)[C@@H](C)N(C)C(=O)c1cccc(O)c1[O-] ZINC000126263205 167366170 /nfs/dbraw/zinc/36/61/70/167366170.db2.gz UAUXCXISJCMRKK-SECBINFHSA-N -1 3 237.299 2.214 20 10 BECDHM CCC(C)(C)NC(=O)c1cccc(O)c1[O-] ZINC000163266514 168297592 /nfs/dbraw/zinc/29/75/92/168297592.db2.gz UEKUHKHAYVZDMK-UHFFFAOYSA-N -1 3 223.272 2.016 20 10 BECDHM COCCN(C)Cc1c([O-])cccc1Cl ZINC000132707327 174280722 /nfs/dbraw/zinc/28/07/22/174280722.db2.gz IWVQNVLNEJLDTG-UHFFFAOYSA-N -1 3 229.707 2.124 20 10 BECDHM C[C@@H]1CCC[C@@H](NC(=O)c2cccc(O)c2[O-])C1 ZINC000126249394 176122978 /nfs/dbraw/zinc/12/29/78/176122978.db2.gz NOGMZBIXBAVTEU-NXEZZACHSA-N -1 3 249.310 2.406 20 10 BECDHM C[C@H]1CN(Cc2cccc(F)c2[O-])CCCO1 ZINC000160234751 177264267 /nfs/dbraw/zinc/26/42/67/177264267.db2.gz GXRHUIOCUKLJAM-JTQLQIEISA-N -1 3 239.290 2.142 20 10 BECDHM CSCC(C)(C)NC(=O)c1cc([O-])cs1 ZINC000890872790 582582850 /nfs/dbraw/zinc/58/28/50/582582850.db2.gz JVZDVUGXYVTDLN-UHFFFAOYSA-N -1 3 245.369 2.325 20 10 BECDHM C[C@@H]1CC=CC[C@H]1NC(=O)c1cccc(O)c1[O-] ZINC000890767677 582543494 /nfs/dbraw/zinc/54/34/94/582543494.db2.gz USSOUDWMJAFILY-MWLCHTKSSA-N -1 3 247.294 2.182 20 10 BECDHM Cc1ncoc1CN(C)Cc1ccccc1[O-] ZINC000893961009 583255734 /nfs/dbraw/zinc/25/57/34/583255734.db2.gz AUUKOXIBHZRQIL-UHFFFAOYSA-N -1 3 232.283 2.321 20 10 BECDHM [O-]c1c(F)cc(F)cc1CN1CC=CCC1 ZINC000894423450 583455712 /nfs/dbraw/zinc/45/57/12/583455712.db2.gz QPNPOGFSICNIHU-UHFFFAOYSA-N -1 3 225.238 2.432 20 10 BECDHM Cc1ccc(CN(C)Cc2ncc[nH]2)c([O-])c1 ZINC000894586161 583489582 /nfs/dbraw/zinc/48/95/82/583489582.db2.gz ANLSPARLRSSETJ-UHFFFAOYSA-N -1 3 231.299 2.056 20 10 BECDHM O=C(N[C@@H]1C[C@H]2CCC[C@H]21)c1cc([O-])cs1 ZINC000889605396 583578275 /nfs/dbraw/zinc/57/82/75/583578275.db2.gz IBMAVPOONIEVDL-SZEHBUNVSA-N -1 3 237.324 2.372 20 10 BECDHM COc1cccc([O-])c1CN1CC[C@H]1C(F)F ZINC000895437535 583674703 /nfs/dbraw/zinc/67/47/03/583674703.db2.gz UDIYUJUWSGUZNB-VIFPVBQESA-N -1 3 243.253 2.240 20 10 BECDHM CCn1cnc(CN[C@H](C)c2ccccc2[O-])c1 ZINC000902642859 584645374 /nfs/dbraw/zinc/64/53/74/584645374.db2.gz JSKRKIIBVGYARK-LLVKDONJSA-N -1 3 245.326 2.459 20 10 BECDHM Cc1cccnc1NC(=O)c1cc([O-])cs1 ZINC000731863965 584929740 /nfs/dbraw/zinc/92/97/40/584929740.db2.gz HJRFSFNCPHLIIA-UHFFFAOYSA-N -1 3 234.280 2.409 20 10 BECDHM CN(Cc1ccco1)C(=O)c1cc([O-])cs1 ZINC000731864055 584929850 /nfs/dbraw/zinc/92/98/50/584929850.db2.gz MTJUNNKVDYHKKQ-UHFFFAOYSA-N -1 3 237.280 2.319 20 10 BECDHM O=C(OCc1ccccn1)c1cc([O-])cs1 ZINC000731909237 584931012 /nfs/dbraw/zinc/93/10/12/584931012.db2.gz DNZSWCCVASOGMI-UHFFFAOYSA-N -1 3 235.264 2.206 20 10 BECDHM O=C(NCc1ccc(O)cc1)c1cc([O-])cs1 ZINC000732267359 584934948 /nfs/dbraw/zinc/93/49/48/584934948.db2.gz YWKRKOCEGXIXFF-UHFFFAOYSA-N -1 3 249.291 2.089 20 10 BECDHM C[C@H](C1CC1)N(C)C(=O)c1cc([O-])cs1 ZINC000732269924 584935415 /nfs/dbraw/zinc/93/54/15/584935415.db2.gz MIFUDLFPKHGQHT-SSDOTTSWSA-N -1 3 225.313 2.324 20 10 BECDHM CCCCOCCNC(=O)c1cc([O-])cs1 ZINC000732278736 584935551 /nfs/dbraw/zinc/93/55/51/584935551.db2.gz URJLEIWPTYGTHH-UHFFFAOYSA-N -1 3 243.328 2.000 20 10 BECDHM C[C@H]1CCC[C@@H]1NC(=O)c1cc([O-])cs1 ZINC000732288195 584936036 /nfs/dbraw/zinc/93/60/36/584936036.db2.gz NTYFSOIHFUALHL-CBAPKCEASA-N -1 3 225.313 2.372 20 10 BECDHM C[C@H]1CSCCN1C(=O)c1cc([O-])cs1 ZINC000738547341 585046967 /nfs/dbraw/zinc/04/69/67/585046967.db2.gz BUHBCYPERXLTLT-ZETCQYMHSA-N -1 3 243.353 2.031 20 10 BECDHM CCSCCOC(=O)c1cc([O-])cs1 ZINC000745003163 585155147 /nfs/dbraw/zinc/15/51/47/585155147.db2.gz YZODBNFZAQNWDD-UHFFFAOYSA-N -1 3 232.326 2.364 20 10 BECDHM CCc1ncc(NC(=O)c2cc([O-])cs2)cn1 ZINC000747613621 585181309 /nfs/dbraw/zinc/18/13/09/585181309.db2.gz AHYMNOOHLIFWGO-UHFFFAOYSA-N -1 3 249.295 2.058 20 10 BECDHM O=C(Nc1ccc(F)nc1)c1cc([O-])cs1 ZINC000768290377 585535250 /nfs/dbraw/zinc/53/52/50/585535250.db2.gz DFQMOVNMYMTAEZ-UHFFFAOYSA-N -1 3 238.243 2.240 20 10 BECDHM Cc1cnccc1CNC(=O)c1cc([O-])cs1 ZINC000779505978 585755739 /nfs/dbraw/zinc/75/57/39/585755739.db2.gz MCURQHTXSZGVFD-UHFFFAOYSA-N -1 3 248.307 2.087 20 10 BECDHM Cc1ccc(C(=O)NC[C@H](C)C2CC2)c([O-])c1O ZINC000780907741 585786087 /nfs/dbraw/zinc/78/60/87/585786087.db2.gz WPCUXDISXZDNMX-VIFPVBQESA-N -1 3 249.310 2.182 20 10 BECDHM [O-]c1ccccc1CN1CCc2ncsc2C1 ZINC000783746058 585841926 /nfs/dbraw/zinc/84/19/26/585841926.db2.gz VIVYGZOFYHYAEJ-UHFFFAOYSA-N -1 3 246.335 2.407 20 10 BECDHM C[C@@H]1C[C@@H](O)CN1Cc1cccc(Cl)c1[O-] ZINC000788269059 585919879 /nfs/dbraw/zinc/91/98/79/585919879.db2.gz LBZLIBOVSRGFRV-PSASIEDQSA-N -1 3 241.718 2.001 20 10 BECDHM C[C@H]1C[C@H](O)CN1Cc1cc(Cl)ccc1[O-] ZINC000788268503 585920159 /nfs/dbraw/zinc/92/01/59/585920159.db2.gz DVSFCMQEYSFKQB-KWQFWETISA-N -1 3 241.718 2.001 20 10 BECDHM C[C@H]1CC[C@H](COC(=O)c2cc([O-])cs2)O1 ZINC000789049107 585934243 /nfs/dbraw/zinc/93/42/43/585934243.db2.gz LFANTTBOYYTJTJ-IONNQARKSA-N -1 3 242.296 2.178 20 10 BECDHM CC1(CCNC(=O)c2cc([O-])cs2)CC1 ZINC000792670443 586003925 /nfs/dbraw/zinc/00/39/25/586003925.db2.gz RLIBROPGJXLXEY-UHFFFAOYSA-N -1 3 225.313 2.374 20 10 BECDHM C[C@H]1C[C@H](C)N1C(=O)c1cc([O-])cs1 ZINC000792672021 586003942 /nfs/dbraw/zinc/00/39/42/586003942.db2.gz CAXYFNZHDZAWNZ-BQBZGAKWSA-N -1 3 211.286 2.077 20 10 BECDHM C[C@H]1C[C@H](NC(=O)c2cc([O-])cs2)CS1 ZINC000839828886 586129216 /nfs/dbraw/zinc/12/92/16/586129216.db2.gz FHEMAILYCOXZSN-BQBZGAKWSA-N -1 3 243.353 2.078 20 10 BECDHM CC1=CCCN(C(=O)c2cc([O-])cs2)C1 ZINC000798123047 586137754 /nfs/dbraw/zinc/13/77/54/586137754.db2.gz FGFIPTFSHCWJAC-UHFFFAOYSA-N -1 3 223.297 2.246 20 10 BECDHM CC1(C)SC[C@@H]1NC(=O)c1cc([O-])cs1 ZINC000802679408 586309538 /nfs/dbraw/zinc/30/95/38/586309538.db2.gz LZXHDZHIMGQZLN-QMMMGPOBSA-N -1 3 243.353 2.078 20 10 BECDHM Cc1ccc(C(=O)N2CCC[C@@H]3C[C@@H]32)c([O-])c1O ZINC000804295708 586388361 /nfs/dbraw/zinc/38/83/61/586388361.db2.gz AYROFYMYXDAPRI-KOLCDFICSA-N -1 3 247.294 2.031 20 10 BECDHM O=C(c1cc([O-])cs1)N1CCC[C@H]2C[C@H]21 ZINC000807675149 586447988 /nfs/dbraw/zinc/44/79/88/586447988.db2.gz DFKJEKYTGZQBGJ-IONNQARKSA-N -1 3 223.297 2.078 20 10 BECDHM O=C(N[C@@H]1C[C@H]1C1CCC1)c1cc([O-])cs1 ZINC000822414234 587166927 /nfs/dbraw/zinc/16/69/27/587166927.db2.gz VXTLYGYJLKEFBY-VHSXEESVSA-N -1 3 237.324 2.372 20 10 BECDHM C[C@H]1SCC[C@H]1NC(=O)c1cc([O-])cs1 ZINC000844154345 588170884 /nfs/dbraw/zinc/17/08/84/588170884.db2.gz ZGQCKUGIYHFXKB-HTRCEHHLSA-N -1 3 243.353 2.078 20 10 BECDHM O=C(NCc1cc(Cl)ccc1[O-])NC1CC1 ZINC000844282931 588180413 /nfs/dbraw/zinc/18/04/13/588180413.db2.gz YOHNWSJMNOQZBA-UHFFFAOYSA-N -1 3 240.690 2.007 20 10 BECDHM CC1(C(=O)NCc2cc(Cl)ccc2[O-])CC1 ZINC000846476717 588266736 /nfs/dbraw/zinc/26/67/36/588266736.db2.gz OZOFFSTZTIGSOI-UHFFFAOYSA-N -1 3 239.702 2.462 20 10 BECDHM CC(C)C(=O)NCc1cc(Cl)ccc1[O-] ZINC000846472156 588267053 /nfs/dbraw/zinc/26/70/53/588267053.db2.gz HRTZVZJXYRGFTO-UHFFFAOYSA-N -1 3 227.691 2.318 20 10 BECDHM CCC(=O)NCc1cc(Cl)ccc1[O-] ZINC000846479733 588267186 /nfs/dbraw/zinc/26/71/86/588267186.db2.gz OFUFDHTZKFAWEJ-UHFFFAOYSA-N -1 3 213.664 2.072 20 10 BECDHM O=C(c1cc([O-])cs1)N1CCC[C@@H](F)C1 ZINC000846662579 588281379 /nfs/dbraw/zinc/28/13/79/588281379.db2.gz TYCLQMHDCIJUMQ-SSDOTTSWSA-N -1 3 229.276 2.028 20 10 BECDHM Cc1nnc([C@@H](C)N(C)Cc2ccccc2[O-])o1 ZINC000109772745 588592432 /nfs/dbraw/zinc/59/24/32/588592432.db2.gz KEYFUXXBGJLIKE-SECBINFHSA-N -1 3 247.298 2.277 20 10 BECDHM CCCN(Cc1cnon1)Cc1ccccc1[O-] ZINC000851793051 588629046 /nfs/dbraw/zinc/62/90/46/588629046.db2.gz VVFGTVIVHZYPLM-UHFFFAOYSA-N -1 3 247.298 2.187 20 10 BECDHM C[C@@H]1OCC[C@H]1COC(=O)c1cc([O-])cs1 ZINC000869394822 589603330 /nfs/dbraw/zinc/60/33/30/589603330.db2.gz WBBOZIZBTBMHJS-YUMQZZPRSA-N -1 3 242.296 2.036 20 10 BECDHM Cc1nonc1CN[C@@H](C)c1ccc(C)cc1[O-] ZINC000872135304 589878220 /nfs/dbraw/zinc/87/82/20/589878220.db2.gz FEQHGCGWNNLOGM-VIFPVBQESA-N -1 3 247.298 2.243 20 10 BECDHM O=C(N[C@H]1CC12CCC2)c1cc([O-])cs1 ZINC000874779236 590125573 /nfs/dbraw/zinc/12/55/73/590125573.db2.gz ZASRZVCLMGCQJE-VIFPVBQESA-N -1 3 223.297 2.126 20 10 BECDHM Cc1ccc(CN(C)Cc2cc[nH]n2)c([O-])c1 ZINC000876722229 590233807 /nfs/dbraw/zinc/23/38/07/590233807.db2.gz QPVPTMZHWMMQDZ-UHFFFAOYSA-N -1 3 231.299 2.056 20 10 BECDHM O=C(Nc1ccc(F)cc1)c1cccc(O)c1[O-] ZINC000126222676 590255246 /nfs/dbraw/zinc/25/52/46/590255246.db2.gz SFRVGMAVOMEHSL-UHFFFAOYSA-N -1 3 247.225 2.489 20 10 BECDHM Cc1cccc([O-])c1CNCC(F)F ZINC000877516470 590345998 /nfs/dbraw/zinc/34/59/98/590345998.db2.gz AKLYWAGAXQWQMO-UHFFFAOYSA-N -1 3 201.216 2.055 20 10 BECDHM O=C(Nc1ccc(O)cc1)c1cccc(O)c1[O-] ZINC000126572197 590351220 /nfs/dbraw/zinc/35/12/20/590351220.db2.gz BNVOEHBDQLQFLQ-UHFFFAOYSA-N -1 3 245.234 2.056 20 10 BECDHM Cc1cc([O-])c(CNC2(C)COC2)cc1Cl ZINC000877691511 590393397 /nfs/dbraw/zinc/39/33/97/590393397.db2.gz PFRDOQKGFUYVMT-UHFFFAOYSA-N -1 3 241.718 2.233 20 10 BECDHM Cc1nnsc1CN1Cc2cccc([O-])c2C1 ZINC000877703018 590396626 /nfs/dbraw/zinc/39/66/26/590396626.db2.gz OSMNQEUBYKCKGE-UHFFFAOYSA-N -1 3 247.323 2.068 20 10 BECDHM COc1cc(CN[C@H](C)c2ccccc2[O-])on1 ZINC000879648805 590842126 /nfs/dbraw/zinc/84/21/26/590842126.db2.gz ACUYNDSJCHXIDM-SECBINFHSA-N -1 3 248.282 2.240 20 10 BECDHM CCc1nc(CN[C@@H](C)c2ccccc2[O-])no1 ZINC000879651974 590843882 /nfs/dbraw/zinc/84/38/82/590843882.db2.gz RLTDKLWAKSJAOO-VIFPVBQESA-N -1 3 247.298 2.188 20 10 BECDHM C[C@H](NCc1ccn(C)n1)c1cc(F)ccc1[O-] ZINC000213179597 591454848 /nfs/dbraw/zinc/45/48/48/591454848.db2.gz YISQVZQTWCASMZ-VIFPVBQESA-N -1 3 249.289 2.116 20 10 BECDHM C[C@H]1COCCN1Cc1cc(Cl)ccc1[O-] ZINC000132604976 591725162 /nfs/dbraw/zinc/72/51/62/591725162.db2.gz ZXYRHLGOQUGGMH-VIFPVBQESA-N -1 3 241.718 2.266 20 10 BECDHM CC(C)COCCOC(=O)c1cc([O-])cs1 ZINC000800166819 591830148 /nfs/dbraw/zinc/83/01/48/591830148.db2.gz UGQLPJGFTRKQAD-UHFFFAOYSA-N -1 3 244.312 2.283 20 10 BECDHM Cc1noc(NCc2c([O-])cccc2Cl)n1 ZINC000134431388 591926705 /nfs/dbraw/zinc/92/67/05/591926705.db2.gz KLODRLXFTQQTOD-UHFFFAOYSA-N -1 3 239.662 2.349 20 10 BECDHM Cc1cc([O-])c(CN2CCOCC2)cc1Cl ZINC000100692708 636529960 /nfs/dbraw/zinc/52/99/60/636529960.db2.gz IUOUODSZCOHPSH-UHFFFAOYSA-N -1 3 241.718 2.186 20 10 BECDHM CC(C)[C@H](NC(=O)c1cccc(O)c1[O-])C1CC1 ZINC000323933844 641308704 /nfs/dbraw/zinc/30/87/04/641308704.db2.gz HDZCZAJAHKBISY-LBPRGKRZSA-N -1 3 249.310 2.262 20 10 BECDHM CC[C@H](NC(=O)c1cccc(O)c1[O-])C1CC1 ZINC000324136836 641565467 /nfs/dbraw/zinc/56/54/67/641565467.db2.gz JQHFITVUDIOAQI-JTQLQIEISA-N -1 3 235.283 2.016 20 10 BECDHM CC(C)[C@]1(C)C[C@H]1NC(=O)c1cccc(O)c1[O-] ZINC000397229616 711379498 /nfs/dbraw/zinc/37/94/98/711379498.db2.gz LKQDDTLAJPTPAG-RISCZKNCSA-N -1 3 249.310 2.262 20 10 BECDHM CC1(C(=O)[O-])CC[NH+](Cc2ccccc2[O-])CC1 ZINC000086776750 712039539 /nfs/dbraw/zinc/03/95/39/712039539.db2.gz ZEZUROWVFVWKOY-UHFFFAOYSA-N -1 3 249.310 2.079 20 10 BECDHM O=C(c1cccc(O)c1[O-])N1C[C@@H]2CCCC[C@@H]21 ZINC000706865845 712157256 /nfs/dbraw/zinc/15/72/56/712157256.db2.gz FLUIRWZMUGPNIJ-ONGXEEELSA-N -1 3 247.294 2.112 20 10 BECDHM O=C(NCCCCC1CC1)c1cccc(O)c1[O-] ZINC000716380131 712557139 /nfs/dbraw/zinc/55/71/39/712557139.db2.gz RKNVKSJXELWGPI-UHFFFAOYSA-N -1 3 249.310 2.408 20 10 BECDHM C[C@@H](NCCF)c1cc(F)cc(F)c1[O-] ZINC000380309167 712873895 /nfs/dbraw/zinc/87/38/95/712873895.db2.gz GLIFYPVRGKPSTE-ZCFIWIBFSA-N -1 3 219.206 2.291 20 10 BECDHM Cc1ncc(CNCc2cccc(F)c2[O-])o1 ZINC000397906410 1167029930 /nfs/dbraw/zinc/02/99/30/1167029930.db2.gz ZCYQSUPREZRZGG-UHFFFAOYSA-N -1 3 236.246 2.118 20 10 BECDHM CSCCN(C)Cc1c([O-])ccc(F)c1F ZINC001233335878 978567744 /nfs/dbraw/zinc/56/77/44/978567744.db2.gz PLTXTXXKAFVMBY-UHFFFAOYSA-N -1 3 247.310 2.465 20 10 BECDHM COCCN(C)Cc1c([O-])ccc(F)c1Cl ZINC001237121451 979821425 /nfs/dbraw/zinc/82/14/25/979821425.db2.gz NQRIIFPVGMRTEK-UHFFFAOYSA-N -1 3 247.697 2.263 20 10 BECDHM CN(Cc1c(F)ccc(F)c1[O-])C1CC1 ZINC001139683170 1169298899 /nfs/dbraw/zinc/29/88/99/1169298899.db2.gz ANUQYOBWYAGTDD-UHFFFAOYSA-N -1 3 213.227 2.265 20 10 BECDHM O=C(N[C@@H]1CC[C@@H]2C[C@@H]2C1)c1cccc(O)c1[O-] ZINC000403647318 971007587 /nfs/dbraw/zinc/00/75/87/971007587.db2.gz QOSUIUOPAFKULO-OPRDCNLKSA-N -1 3 247.294 2.016 20 10 BECDHM CC[C@H](C)CCNC(=O)c1cccc(O)c1[O-] ZINC000696255526 962135405 /nfs/dbraw/zinc/13/54/05/962135405.db2.gz FFFHKOLWGIPYEA-VIFPVBQESA-N -1 3 237.299 2.264 20 10 BECDHM O=C(NC[C@]12C[C@H]1CCC2)c1cccc(O)c1[O-] ZINC000822100848 968508016 /nfs/dbraw/zinc/50/80/16/968508016.db2.gz DHEYCIDETMGMNQ-OTYXRUKQSA-N -1 3 247.294 2.018 20 10 BECDHM O=C(NC1(CC2CC2)CC1)c1cccc(O)c1[O-] ZINC001148224810 973817965 /nfs/dbraw/zinc/81/79/65/973817965.db2.gz VUFXQESCBPDWIP-UHFFFAOYSA-N -1 3 247.294 2.160 20 10 BECDHM CC1(C)CCC[N@@H+]1Cc1cc(C(=O)[O-])ccc1[O-] ZINC001231560745 977634336 /nfs/dbraw/zinc/63/43/36/977634336.db2.gz LIAQLQXDVPNDRE-UHFFFAOYSA-N -1 3 249.310 2.465 20 10 BECDHM CC1(C)CCC[N@H+]1Cc1cc(C(=O)[O-])ccc1[O-] ZINC001231560745 977634342 /nfs/dbraw/zinc/63/43/42/977634342.db2.gz LIAQLQXDVPNDRE-UHFFFAOYSA-N -1 3 249.310 2.465 20 10 BECDHM O=C1CCN(Cc2ccc3ccccc3c2[O-])C1 ZINC001231880708 977786390 /nfs/dbraw/zinc/78/63/90/977786390.db2.gz DRRDYQNVDJWYCY-UHFFFAOYSA-N -1 3 241.290 2.320 20 10 BECDHM [O-]c1c(Cl)cccc1CN1CC=CC1 ZINC001231909280 977792577 /nfs/dbraw/zinc/79/25/77/977792577.db2.gz GJIBWYFGCRAYOA-UHFFFAOYSA-N -1 3 209.676 2.417 20 10 BECDHM CCC[C@@H]([NH2+]Cc1c(C)cccc1[O-])C(=O)[O-] ZINC001605354492 979857795 /nfs/dbraw/zinc/85/77/95/979857795.db2.gz FHSDWINPBVKHHX-LLVKDONJSA-N -1 3 237.299 2.044 20 10 BECDHM Nc1ccc(OC(=O)c2cccc([O-])c2F)cc1 ZINC001580449599 986855586 /nfs/dbraw/zinc/85/55/86/986855586.db2.gz PICRHXGBUQADMC-UHFFFAOYSA-N -1 3 247.225 2.333 20 10 BECDHM CCn1ccc(CNCc2c([O-])cccc2F)n1 ZINC001474716072 987808947 /nfs/dbraw/zinc/80/89/47/987808947.db2.gz BGCABNIWBRLJHD-UHFFFAOYSA-N -1 3 249.289 2.038 20 10 BECDHM C[C@H]1CN(Cc2c([O-])cccc2F)C[C@H](C)O1 ZINC001137831538 990853997 /nfs/dbraw/zinc/85/39/97/990853997.db2.gz DEYAYHCAHLBIHA-UWVGGRQHSA-N -1 3 239.290 2.141 20 10 BECDHM [O-]c1cccc(Cl)c1CN1CCC12COC2 ZINC001140341345 991611487 /nfs/dbraw/zinc/61/14/87/991611487.db2.gz IUHCTXHQTCBBPL-UHFFFAOYSA-N -1 3 239.702 2.020 20 10 BECDHM C[C@H]([NH2+][C@H]1C=CCC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593208547 994227315 /nfs/dbraw/zinc/22/73/15/994227315.db2.gz CYWAMWAWAZKRQV-ONGXEEELSA-N -1 3 247.294 2.460 20 10 BECDHM CC[C@H]1CCN(C(=O)c2cccc(O)c2[O-])[C@@H]1C ZINC001625627128 1171109399 /nfs/dbraw/zinc/10/93/99/1171109399.db2.gz PVHURIHWVFRZOZ-ZJUUUORDSA-N -1 3 249.310 2.358 20 10 BECDHM Cc1ccc(C(=O)N(C)CCC2CC2)c([O-])c1O ZINC000182857570 178376250 /nfs/dbraw/zinc/37/62/50/178376250.db2.gz ZJCNPSUJVBNPTN-UHFFFAOYSA-N -1 3 249.310 2.278 20 10 BECDHM Cc1ccc(C(=O)N2CCC(C)CC2)c([O-])c1O ZINC000177658575 178383425 /nfs/dbraw/zinc/38/34/25/178383425.db2.gz HQPHWWWXRQBNOD-UHFFFAOYSA-N -1 3 249.310 2.278 20 10 BECDHM Cc1ccc(C(=O)N2CCCC[C@H]2C)c([O-])c1O ZINC000179386579 178386912 /nfs/dbraw/zinc/38/69/12/178386912.db2.gz AMZPVECLXAPVBK-SNVBAGLBSA-N -1 3 249.310 2.421 20 10 BECDHM Cc1ccc(C(=O)N2C[C@@H](C)[C@H](C)C2)c([O-])c1O ZINC000272720951 178398442 /nfs/dbraw/zinc/39/84/42/178398442.db2.gz HGEKPYRKUSKLJE-NXEZZACHSA-N -1 3 249.310 2.134 20 10 BECDHM Cc1ccc(C(=O)N2C[C@H](C)[C@H](C)C2)c([O-])c1O ZINC000272720949 178398818 /nfs/dbraw/zinc/39/88/18/178398818.db2.gz HGEKPYRKUSKLJE-AOOOYVTPSA-N -1 3 249.310 2.134 20 10 BECDHM CCC(CC)NC(=O)c1cccc(O)c1[O-] ZINC000163267147 168385708 /nfs/dbraw/zinc/38/57/08/168385708.db2.gz PMUSFGHMGNDQRJ-UHFFFAOYSA-N -1 3 223.272 2.016 20 10 BECDHM [O-]c1c(F)cccc1CN1CCCc2n[nH]cc21 ZINC000291658162 187348693 /nfs/dbraw/zinc/34/86/93/187348693.db2.gz VDOWMXMECZPHGO-UHFFFAOYSA-N -1 3 247.273 2.207 20 10 BECDHM [O-]c1c(Cl)cccc1CN1CCCOCC1 ZINC000162814211 350438667 /nfs/dbraw/zinc/43/86/67/350438667.db2.gz BDUBZRXYRWVUHN-UHFFFAOYSA-N -1 3 241.718 2.268 20 10 BECDHM [O-]c1c(F)cccc1CN1CCSCC1 ZINC000272247757 188026668 /nfs/dbraw/zinc/02/66/68/188026668.db2.gz HTZWSBMFVHQQMY-UHFFFAOYSA-N -1 3 227.304 2.080 20 10 BECDHM CC(C)=CCCNC(=O)c1cccc(O)c1[O-] ZINC000276633058 188380170 /nfs/dbraw/zinc/38/01/70/188380170.db2.gz ORNUERXMJZNEBB-UHFFFAOYSA-N -1 3 235.283 2.184 20 10 BECDHM CN(Cc1c([O-])cccc1Cl)[C@H]1CCOC1 ZINC000132773470 384249408 /nfs/dbraw/zinc/24/94/08/384249408.db2.gz OZBPXOUEZROVPA-VIFPVBQESA-N -1 3 241.718 2.266 20 10 BECDHM C[C@@H](NCc1cnn(C)c1)c1ccc(F)cc1[O-] ZINC000062748118 385187153 /nfs/dbraw/zinc/18/71/53/385187153.db2.gz QGDGKDODDILLFV-SECBINFHSA-N -1 3 249.289 2.116 20 10 BECDHM Cc1ccc(C(=O)NCCC(C)C)c([O-])c1O ZINC000177660726 385272012 /nfs/dbraw/zinc/27/20/12/385272012.db2.gz ABIMGSGLBRMKMA-UHFFFAOYSA-N -1 3 237.299 2.182 20 10 BECDHM C[C@H](NCCF)c1ccc(F)cc1[O-] ZINC000281127219 385402622 /nfs/dbraw/zinc/40/26/22/385402622.db2.gz SRAFZEIUTXIRLL-ZETCQYMHSA-N -1 3 201.216 2.151 20 10 BECDHM C[C@@H](NCCF)c1ccc(F)cc1[O-] ZINC000281127210 385403285 /nfs/dbraw/zinc/40/32/85/385403285.db2.gz SRAFZEIUTXIRLL-SSDOTTSWSA-N -1 3 201.216 2.151 20 10 BECDHM Cc1nocc1CN(C)Cc1ccccc1[O-] ZINC000295214089 385992612 /nfs/dbraw/zinc/99/26/12/385992612.db2.gz AWZFLSMVGKRNMD-UHFFFAOYSA-N -1 3 232.283 2.321 20 10 BECDHM CO[C@H]1CCN(Cc2c([O-])cccc2Cl)C1 ZINC000234884762 386111279 /nfs/dbraw/zinc/11/12/79/386111279.db2.gz LHARBENHAACHOE-VIFPVBQESA-N -1 3 241.718 2.266 20 10 BECDHM Cc1ccc(C(=O)N2CC=C(C)CC2)c([O-])c1O ZINC000272704724 168108764 /nfs/dbraw/zinc/10/87/64/168108764.db2.gz BYFHQXOSFIWSSK-UHFFFAOYSA-N -1 3 247.294 2.198 20 10 BECDHM CCC(C)(C)N(C)C(=O)c1cccc(O)c1[O-] ZINC000126425595 168284724 /nfs/dbraw/zinc/28/47/24/168284724.db2.gz LMRUKOASCQAOCM-UHFFFAOYSA-N -1 3 237.299 2.358 20 10 BECDHM C[C@H]1OCCN(Cc2cccc(F)c2[O-])[C@@H]1C ZINC000272287907 177399476 /nfs/dbraw/zinc/39/94/76/177399476.db2.gz NTFOCUYGTNCSCZ-NXEZZACHSA-N -1 3 239.290 2.141 20 10 BECDHM Cc1ccc([O-])c(C[NH2+]CC2(C(=O)[O-])CCC2)c1 ZINC000854244909 588782059 /nfs/dbraw/zinc/78/20/59/588782059.db2.gz XNLJTEHZHDMLOX-UHFFFAOYSA-N -1 3 249.310 2.045 20 10 BECDHM CC1(C)C[C@]1(C)NC(=O)c1cc([O-])cs1 ZINC000856138367 588862714 /nfs/dbraw/zinc/86/27/14/588862714.db2.gz XTRNGXVXICQPKV-NSHDSACASA-N -1 3 225.313 2.372 20 10 BECDHM O=C(N[C@@H]1C[C@@H]2CCC[C@@H]12)c1cc([O-])cs1 ZINC000889605395 583578470 /nfs/dbraw/zinc/57/84/70/583578470.db2.gz IBMAVPOONIEVDL-FXBDTBDDSA-N -1 3 237.324 2.372 20 10 BECDHM O=C(c1cc([O-])cs1)N1CCCCCC1 ZINC000731862004 584929819 /nfs/dbraw/zinc/92/98/19/584929819.db2.gz WFZAUQIJQDHZAN-UHFFFAOYSA-N -1 3 225.313 2.470 20 10 BECDHM C[C@@H](NC(=O)c1cc([O-])cs1)c1ccccn1 ZINC000731865970 584929949 /nfs/dbraw/zinc/92/99/49/584929949.db2.gz ONFRKRSDSLDMTF-MRVPVSSYSA-N -1 3 248.307 2.340 20 10 BECDHM O=C(NC1CCSCC1)c1cc([O-])cs1 ZINC000731872825 584930149 /nfs/dbraw/zinc/93/01/49/584930149.db2.gz RYZPFQMDNLJKNH-UHFFFAOYSA-N -1 3 243.353 2.079 20 10 BECDHM Cc1cnc(CN(C)Cc2ccccc2[O-])cn1 ZINC000732202996 584934801 /nfs/dbraw/zinc/93/48/01/584934801.db2.gz KSRVISRUFQSNTQ-UHFFFAOYSA-N -1 3 243.310 2.123 20 10 BECDHM CCC[C@H](C)NC(=O)c1cc([O-])cs1 ZINC000732265209 584935122 /nfs/dbraw/zinc/93/51/22/584935122.db2.gz OVYXQCFKGXYWEV-ZETCQYMHSA-N -1 3 213.302 2.372 20 10 BECDHM C[C@@H]1CCC[C@@H]1NC(=O)c1cc([O-])cs1 ZINC000732288194 584935939 /nfs/dbraw/zinc/93/59/39/584935939.db2.gz NTYFSOIHFUALHL-APPZFPTMSA-N -1 3 225.313 2.372 20 10 BECDHM CSCC[C@@H](C)NC(=O)c1cc([O-])cs1 ZINC000736706852 585010222 /nfs/dbraw/zinc/01/02/22/585010222.db2.gz ADRDIOOXODZFJE-SSDOTTSWSA-N -1 3 245.369 2.325 20 10 BECDHM CCOC1(C)CN(Cc2cc(F)ccc2[O-])C1 ZINC000839144473 585092000 /nfs/dbraw/zinc/09/20/00/585092000.db2.gz ULIXORKETYELPM-UHFFFAOYSA-N -1 3 239.290 2.142 20 10 BECDHM [O-]c1c(F)cccc1CN1CC(C(F)F)C1 ZINC000839141304 585094613 /nfs/dbraw/zinc/09/46/13/585094613.db2.gz PCEXKFPHJPSUNS-UHFFFAOYSA-N -1 3 231.217 2.228 20 10 BECDHM C[C@@H]1C[C@H](C)CN1C(=O)c1cc([O-])cs1 ZINC000740928976 585108291 /nfs/dbraw/zinc/10/82/91/585108291.db2.gz VXGIOOOZHWFYTR-JGVFFNPUSA-N -1 3 225.313 2.324 20 10 BECDHM C[C@@H]1CCCN1C(=O)c1cc([O-])cs1 ZINC000752807723 585250339 /nfs/dbraw/zinc/25/03/39/585250339.db2.gz MDEFHVKDXMRGHF-SSDOTTSWSA-N -1 3 211.286 2.078 20 10 BECDHM O=C(OC[C@@H]1CCCOC1)c1cc([O-])cs1 ZINC000760774973 585397122 /nfs/dbraw/zinc/39/71/22/585397122.db2.gz YCABNXUXWCCMIV-MRVPVSSYSA-N -1 3 242.296 2.037 20 10 BECDHM CC1(NC(=O)c2cc([O-])cs2)CCC1 ZINC000765211359 585482734 /nfs/dbraw/zinc/48/27/34/585482734.db2.gz UMOWFAYXTHTRNZ-UHFFFAOYSA-N -1 3 211.286 2.126 20 10 BECDHM O=C(c1cc([O-])cs1)N(CC(F)F)C1CC1 ZINC000771053549 585589003 /nfs/dbraw/zinc/58/90/03/585589003.db2.gz OFLKIJLCPZGBLV-UHFFFAOYSA-N -1 3 247.266 2.323 20 10 BECDHM CC[C@H]1CCCN1C(=O)c1ccc(C)c(O)c1[O-] ZINC000780928172 585786620 /nfs/dbraw/zinc/78/66/20/585786620.db2.gz SJMCOHUKAWVMSP-JTQLQIEISA-N -1 3 249.310 2.421 20 10 BECDHM Cc1ccc(C(=O)N[C@H](C)C2CCC2)c([O-])c1O ZINC000780996586 585788242 /nfs/dbraw/zinc/78/82/42/585788242.db2.gz ZCSQZFJAONIPOV-SECBINFHSA-N -1 3 249.310 2.325 20 10 BECDHM Cc1ccc(C(=O)N2CC[C@H]2C(C)C)c([O-])c1O ZINC000781018526 585788696 /nfs/dbraw/zinc/78/86/96/585788696.db2.gz XWWJCVGEQLNCGN-NSHDSACASA-N -1 3 249.310 2.277 20 10 BECDHM Cc1ccc(C(=O)N2[C@@H](C)C[C@@H]2C)c([O-])c1O ZINC000792531069 586002014 /nfs/dbraw/zinc/00/20/14/586002014.db2.gz MXNOWDAPYXOXFP-IUCAKERBSA-N -1 3 235.283 2.029 20 10 BECDHM CC[C@H](NCc1cc[nH]n1)c1ccc(F)cc1[O-] ZINC000796756923 586111492 /nfs/dbraw/zinc/11/14/92/586111492.db2.gz ZFJOWAKEVNCFPC-LBPRGKRZSA-N -1 3 249.289 2.495 20 10 BECDHM CC1(C)SC[C@H]1NC(=O)c1cc([O-])cs1 ZINC000802679406 586308883 /nfs/dbraw/zinc/30/88/83/586308883.db2.gz LZXHDZHIMGQZLN-MRVPVSSYSA-N -1 3 243.353 2.078 20 10 BECDHM O=C(NCCC1(F)CCC1)c1cc([O-])cs1 ZINC000807801311 586449342 /nfs/dbraw/zinc/44/93/42/586449342.db2.gz SJIPRJOCKWZHFZ-UHFFFAOYSA-N -1 3 243.303 2.466 20 10 BECDHM C[C@@H]1CN(Cc2cccc(F)c2[O-])[C@H]1C ZINC000816646812 586748812 /nfs/dbraw/zinc/74/88/12/586748812.db2.gz JHYPPZRXJGRMRM-BDAKNGLRSA-N -1 3 209.264 2.372 20 10 BECDHM C[C@H]1CCC[N@H+](Cc2ccccc2[O-])[C@@H]1C(=O)[O-] ZINC000818631503 586908798 /nfs/dbraw/zinc/90/87/98/586908798.db2.gz HBQWWRXGYOXORQ-GWCFXTLKSA-N -1 3 249.310 2.077 20 10 BECDHM C[C@H]1CCC[N@@H+](Cc2ccccc2[O-])[C@@H]1C(=O)[O-] ZINC000818631503 586908801 /nfs/dbraw/zinc/90/88/01/586908801.db2.gz HBQWWRXGYOXORQ-GWCFXTLKSA-N -1 3 249.310 2.077 20 10 BECDHM O=C(N[C@@H]1C[C@H]1C1CCC1)c1cccc(O)c1[O-] ZINC000819631228 586983938 /nfs/dbraw/zinc/98/39/38/586983938.db2.gz ZHHDAVRMZKENAW-WDEREUQCSA-N -1 3 247.294 2.016 20 10 BECDHM O=C(NCc1c([O-])cccc1F)[C@]12C[C@H]1CCC2 ZINC000830180005 587540245 /nfs/dbraw/zinc/54/02/45/587540245.db2.gz FRKSMECFPBUSHX-YMTOWFKASA-N -1 3 249.285 2.338 20 10 BECDHM O=C(NCC1CC(F)(F)C1)c1cc([O-])cs1 ZINC000832437580 587659964 /nfs/dbraw/zinc/65/99/64/587659964.db2.gz HGYPJYAWFXUTRJ-UHFFFAOYSA-N -1 3 247.266 2.229 20 10 BECDHM CC[C@@H]1CCN1C(=O)c1cc([O-])cs1 ZINC000832819389 587692299 /nfs/dbraw/zinc/69/22/99/587692299.db2.gz MJDRQNVXDJRRMM-SSDOTTSWSA-N -1 3 211.286 2.078 20 10 BECDHM CC[C@H](C)CO[N-]C(=O)Nc1ccc(N)cc1 ZINC000841299672 587950639 /nfs/dbraw/zinc/95/06/39/587950639.db2.gz LZPVDVLDRXTFOD-VIFPVBQESA-N -1 3 237.303 2.368 20 10 BECDHM Cc1ccc([O-])c(C[NH2+][C@@H]2CC[C@H](C(=O)[O-])C2)c1 ZINC000843039255 588075587 /nfs/dbraw/zinc/07/55/87/588075587.db2.gz OPVVPCAVZSQQRK-CMPLNLGQSA-N -1 3 249.310 2.044 20 10 BECDHM CCCNC(=O)NCc1cc(Cl)ccc1[O-] ZINC000844281302 588179946 /nfs/dbraw/zinc/17/99/46/588179946.db2.gz LOEHPDOJQUFLGQ-UHFFFAOYSA-N -1 3 242.706 2.255 20 10 BECDHM [O-]c1ccc(F)cc1CN1C[C@H]2[C@@H](C1)C2(F)F ZINC000846109215 588256937 /nfs/dbraw/zinc/25/69/37/588256937.db2.gz COMJYGIZVPRTBV-AOOOYVTPSA-N -1 3 243.228 2.228 20 10 BECDHM C[C@@H]1C[C@H]1C(=O)NCc1cc(Cl)ccc1[O-] ZINC000846472899 588267081 /nfs/dbraw/zinc/26/70/81/588267081.db2.gz GNDHONRPEOPPNK-GMSGAONNSA-N -1 3 239.702 2.318 20 10 BECDHM O=C(NCc1cc(Cl)ccc1[O-])C1CCC1 ZINC000846480617 588267370 /nfs/dbraw/zinc/26/73/70/588267370.db2.gz WKFIENOUAJFRHY-UHFFFAOYSA-N -1 3 239.702 2.462 20 10 BECDHM O=C(NCc1cc(Cl)ccc1[O-])C1(F)CC1 ZINC000846477567 588267372 /nfs/dbraw/zinc/26/73/72/588267372.db2.gz SLQIAPFFRUSLPS-UHFFFAOYSA-N -1 3 243.665 2.164 20 10 BECDHM Cc1ccc([O-])c(C[N@H+](CC(=O)[O-])C2CCC2)c1 ZINC000848639713 588403389 /nfs/dbraw/zinc/40/33/89/588403389.db2.gz JYFAQUZEZOHHAB-UHFFFAOYSA-N -1 3 249.310 2.140 20 10 BECDHM Cc1ccc([O-])c(C[N@@H+](CC(=O)[O-])C2CCC2)c1 ZINC000848639713 588403391 /nfs/dbraw/zinc/40/33/91/588403391.db2.gz JYFAQUZEZOHHAB-UHFFFAOYSA-N -1 3 249.310 2.140 20 10 BECDHM CC(=O)[C@H](C)CCOC(=O)c1cc([O-])cs1 ZINC000849728683 588490574 /nfs/dbraw/zinc/49/05/74/588490574.db2.gz WTJPRTLRCOCDCH-SSDOTTSWSA-N -1 3 242.296 2.226 20 10 BECDHM Cc1ccc(NC(=O)c2cccc(O)c2[O-])nc1 ZINC000126185669 590246388 /nfs/dbraw/zinc/24/63/88/590246388.db2.gz BVZUPQIKPQILLM-UHFFFAOYSA-N -1 3 244.250 2.054 20 10 BECDHM O=C(NCc1ccccc1)c1cccc(O)c1[O-] ZINC000126197027 590247148 /nfs/dbraw/zinc/24/71/48/590247148.db2.gz RANMGBZFFHVSIG-UHFFFAOYSA-N -1 3 243.262 2.028 20 10 BECDHM Cc1ccnc(NC(=O)c2cccc(O)c2[O-])c1 ZINC000126235397 590255753 /nfs/dbraw/zinc/25/57/53/590255753.db2.gz DFGZLHYWOAEXDN-UHFFFAOYSA-N -1 3 244.250 2.054 20 10 BECDHM Cc1ccc(CN(C)Cc2nccn2C)c([O-])c1 ZINC000877169406 590295907 /nfs/dbraw/zinc/29/59/07/590295907.db2.gz OLCBBNNBXVQTSU-UHFFFAOYSA-N -1 3 245.326 2.066 20 10 BECDHM Cc1nnc(CNCc2c(C)cccc2[O-])s1 ZINC000877185984 590298632 /nfs/dbraw/zinc/29/86/32/590298632.db2.gz PSBUCFMCAVGLEO-UHFFFAOYSA-N -1 3 249.339 2.150 20 10 BECDHM CCCC(C)(C)NC(=O)c1cccc(O)c1[O-] ZINC000126545040 590336049 /nfs/dbraw/zinc/33/60/49/590336049.db2.gz PJOIITQCUUOVTQ-UHFFFAOYSA-N -1 3 237.299 2.406 20 10 BECDHM CC(C)(C)CCNC(=O)c1cccc(O)c1[O-] ZINC000126561549 590349516 /nfs/dbraw/zinc/34/95/16/590349516.db2.gz VQLFYGHIOVUGQC-UHFFFAOYSA-N -1 3 237.299 2.264 20 10 BECDHM CCOC1(C)CN(Cc2ccc(C)cc2[O-])C1 ZINC000877581660 590366065 /nfs/dbraw/zinc/36/60/65/590366065.db2.gz NGQHYHZIXRPSMJ-UHFFFAOYSA-N -1 3 235.327 2.311 20 10 BECDHM CC1(NCc2c([O-])ccc(Cl)c2F)COC1 ZINC000877692010 590392480 /nfs/dbraw/zinc/39/24/80/590392480.db2.gz ZZXKSTVKVBIDSL-UHFFFAOYSA-N -1 3 245.681 2.063 20 10 BECDHM CC(C)(C)OC1CN(Cc2ccccc2[O-])C1 ZINC000877772280 590422399 /nfs/dbraw/zinc/42/23/99/590422399.db2.gz XDNREXZORPUJDG-UHFFFAOYSA-N -1 3 235.327 2.392 20 10 BECDHM CCc1nc(CN[C@H](C)c2ccccc2[O-])no1 ZINC000879649639 590842170 /nfs/dbraw/zinc/84/21/70/590842170.db2.gz RLTDKLWAKSJAOO-SECBINFHSA-N -1 3 247.298 2.188 20 10 BECDHM Cc1nc([C@H](C)N[C@@H](C)c2ccccc2[O-])no1 ZINC000879650601 590843771 /nfs/dbraw/zinc/84/37/71/590843771.db2.gz ITZXQCWZPALDQB-IUCAKERBSA-N -1 3 247.298 2.495 20 10 BECDHM O=C(NC[C@@H]1C=CCC1)c1cc([O-])cs1 ZINC000881495345 591218276 /nfs/dbraw/zinc/21/82/76/591218276.db2.gz VBABJKHDQTZIMN-MRVPVSSYSA-N -1 3 223.297 2.150 20 10 BECDHM Cc1oncc1CN(C)Cc1ccccc1[O-] ZINC000129063564 591226536 /nfs/dbraw/zinc/22/65/36/591226536.db2.gz FTYDUPQEHPHDFN-UHFFFAOYSA-N -1 3 232.283 2.321 20 10 BECDHM C[C@H](NCCF)c1c([O-])cccc1F ZINC000886604744 592272166 /nfs/dbraw/zinc/27/21/66/592272166.db2.gz BQZAUTPJNZHAHH-ZETCQYMHSA-N -1 3 201.216 2.151 20 10 BECDHM O=C([O-])CCCCC[NH2+]Cc1ccccc1[O-] ZINC000084847062 597137270 /nfs/dbraw/zinc/13/72/70/597137270.db2.gz IPVIPPCOSANOSP-UHFFFAOYSA-N -1 3 237.299 2.127 20 10 BECDHM CC[C@H]([NH2+]CCCC(=O)[O-])c1ccccc1[O-] ZINC000037417615 597807855 /nfs/dbraw/zinc/80/78/55/597807855.db2.gz QIBWRNYFRGBPOH-NSHDSACASA-N -1 3 237.299 2.298 20 10 BECDHM [O-]c1cccc(Cl)c1CNc1cccnn1 ZINC000309528768 633188892 /nfs/dbraw/zinc/18/88/92/633188892.db2.gz VKHANZGBLUEBQN-UHFFFAOYSA-N -1 3 235.674 2.448 20 10 BECDHM Cc1ncoc1CNCc1c([O-])cccc1F ZINC000896644798 636209125 /nfs/dbraw/zinc/20/91/25/636209125.db2.gz ZHKJOQXPTFMCAM-UHFFFAOYSA-N -1 3 236.246 2.118 20 10 BECDHM C[C@H]1CC[C@H](C)N1C(=O)c1cccc(O)c1[O-] ZINC000193132960 644216042 /nfs/dbraw/zinc/21/60/42/644216042.db2.gz CWGIBEBRMXRNAN-IUCAKERBSA-N -1 3 235.283 2.111 20 10 BECDHM CCC[C@@](C)([NH2+]Cc1ccccc1[O-])C(=O)[O-] ZINC000086732023 644471591 /nfs/dbraw/zinc/47/15/91/644471591.db2.gz BIDBXXJWHMIREW-CYBMUJFWSA-N -1 3 237.299 2.125 20 10 BECDHM CC(C)[S@](C)(=O)=NC(=O)c1cc([O-])cs1 ZINC000926056890 646567478 /nfs/dbraw/zinc/56/74/78/646567478.db2.gz YLTTVGQUSKCVPP-HNNXBMFYSA-N -1 3 247.341 2.100 20 10 BECDHM C[C@@H]1[C@H](C)CN(C(=O)c2cccc(O)c2[O-])[C@H]1C ZINC000399520349 711431724 /nfs/dbraw/zinc/43/17/24/711431724.db2.gz CHOYIZFMGWIRIV-BBBLOLIVSA-N -1 3 249.310 2.214 20 10 BECDHM CC1(C)CC(NC(=O)c2cccc(O)c2[O-])C1 ZINC000395425895 711694538 /nfs/dbraw/zinc/69/45/38/711694538.db2.gz IJNMICCCMWHZEX-UHFFFAOYSA-N -1 3 235.283 2.016 20 10 BECDHM [O-]c1ccc(F)cc1CN1CCC(F)(F)C1 ZINC000313320384 711717591 /nfs/dbraw/zinc/71/75/91/711717591.db2.gz OKWCDCJENDJLRE-UHFFFAOYSA-N -1 3 231.217 2.372 20 10 BECDHM COC1CN(Cc2c([O-])cc(C)cc2Cl)C1 ZINC000840953852 711754029 /nfs/dbraw/zinc/75/40/29/711754029.db2.gz ZSGVTKXZHAXXMN-UHFFFAOYSA-N -1 3 241.718 2.185 20 10 BECDHM C[C@@H](NCc1cc(F)ccc1[O-])C(F)F ZINC000389973659 712693095 /nfs/dbraw/zinc/69/30/95/712693095.db2.gz YWXQRNFUBCHMFS-ZCFIWIBFSA-N -1 3 219.206 2.275 20 10 BECDHM [O-]c1cc(Cl)ccc1CN1CCC12COC2 ZINC001140466500 958527334 /nfs/dbraw/zinc/52/73/34/958527334.db2.gz HPLBHLCCAULOFE-UHFFFAOYSA-N -1 3 239.702 2.020 20 10 BECDHM CC(F)(F)CNCc1cc(F)ccc1[O-] ZINC000697555026 1167507226 /nfs/dbraw/zinc/50/72/26/1167507226.db2.gz YTSYXAFYGYGOBI-UHFFFAOYSA-N -1 3 219.206 2.276 20 10 BECDHM CN(C)Cc1c([O-])ccc(F)c1Cl ZINC001237120071 979821592 /nfs/dbraw/zinc/82/15/92/979821592.db2.gz ILLGDPMQXYIHOF-UHFFFAOYSA-N -1 3 203.644 2.246 20 10 BECDHM C[C@H]1C[C@@H]1c1nnc(-c2cccc(O)c2[O-])o1 ZINC001256616768 970881272 /nfs/dbraw/zinc/88/12/72/970881272.db2.gz IXPTVDSSMBMEHN-XPUUQOCRSA-N -1 3 232.239 2.271 20 10 BECDHM CC1(C)CC[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231452415 977592959 /nfs/dbraw/zinc/59/29/59/977592959.db2.gz OTQMBZQIZZYFGW-UHFFFAOYSA-N -1 3 249.310 2.322 20 10 BECDHM CC1(C)CC[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231452415 977592973 /nfs/dbraw/zinc/59/29/73/977592973.db2.gz OTQMBZQIZZYFGW-UHFFFAOYSA-N -1 3 249.310 2.322 20 10 BECDHM O=C([O-])c1ccc(C[NH+]2C3CCC2CC3)c([O-])c1 ZINC001231452742 977597578 /nfs/dbraw/zinc/59/75/78/977597578.db2.gz UFTLNYGUNLWMRR-UHFFFAOYSA-N -1 3 247.294 2.217 20 10 BECDHM C[C@@H]1CCC[N@H+](Cc2cc(C(=O)[O-])ccc2[O-])C1 ZINC001231561997 977638124 /nfs/dbraw/zinc/63/81/24/977638124.db2.gz YPTKKGJIBRPGMP-SNVBAGLBSA-N -1 3 249.310 2.322 20 10 BECDHM C[C@@H]1CCC[N@@H+](Cc2cc(C(=O)[O-])ccc2[O-])C1 ZINC001231561997 977638130 /nfs/dbraw/zinc/63/81/30/977638130.db2.gz YPTKKGJIBRPGMP-SNVBAGLBSA-N -1 3 249.310 2.322 20 10 BECDHM Cc1cc([O-])c(CN2CCCO2)cc1Cl ZINC001231869225 977778757 /nfs/dbraw/zinc/77/87/57/977778757.db2.gz MOAMNYBLAZNCEF-UHFFFAOYSA-N -1 3 227.691 2.491 20 10 BECDHM [O-]c1cc(O)c(CN2CC[C@@H](F)C2)cc1Cl ZINC001232260421 977985578 /nfs/dbraw/zinc/98/55/78/977985578.db2.gz QABRPNGQEJWQBX-MRVPVSSYSA-N -1 3 245.681 2.295 20 10 BECDHM C/C=C/C=C/C(=O)NCc1c([O-])cccc1F ZINC001178410305 978566468 /nfs/dbraw/zinc/56/64/68/978566468.db2.gz QISIEHPPTWJSGA-CRBCFSCISA-N -1 3 235.258 2.280 20 10 BECDHM Cc1ccc(C[NH2+][C@H]2CC[C@@H](C(=O)[O-])C2)c([O-])c1 ZINC001600418313 978692288 /nfs/dbraw/zinc/69/22/88/978692288.db2.gz VJUSOVGAVOEODH-PWSUYJOCSA-N -1 3 249.310 2.044 20 10 BECDHM Cc1ccc(C[NH2+]C(C)(C)CC(=O)[O-])c([O-])c1 ZINC001600419577 978693354 /nfs/dbraw/zinc/69/33/54/978693354.db2.gz OVCKDCJNCPYOBN-UHFFFAOYSA-N -1 3 237.299 2.044 20 10 BECDHM CC[C@H]([NH2+][C@H](C)c1cc(F)ccc1[O-])C(=O)[O-] ZINC001603954696 979545305 /nfs/dbraw/zinc/54/53/05/979545305.db2.gz BZWFWINEXITSCK-XCBNKYQSSA-N -1 3 241.262 2.045 20 10 BECDHM CCC[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001605334092 979853450 /nfs/dbraw/zinc/85/34/50/979853450.db2.gz LJPUQJKENAGOOO-QMMMGPOBSA-N -1 3 223.272 2.151 20 10 BECDHM Cc1cccc([O-])c1C[NH2+]CCCCC(=O)[O-] ZINC001605345010 979855259 /nfs/dbraw/zinc/85/52/59/979855259.db2.gz MSPGWYIAXMVCPS-UHFFFAOYSA-N -1 3 237.299 2.045 20 10 BECDHM O=c1nc(Cl)cc(Sc2nccs2)[n-]1 ZINC001184983678 980153298 /nfs/dbraw/zinc/15/32/98/980153298.db2.gz XWTGNJOODXGEAS-UHFFFAOYSA-N -1 3 245.716 2.443 20 10 BECDHM CC[C@@H]([NH2+][C@@H](C)CC(=O)[O-])c1ccccc1[O-] ZINC001589569547 982833588 /nfs/dbraw/zinc/83/35/88/982833588.db2.gz XEKPGPAQRYCGSW-GXSJLCMTSA-N -1 3 237.299 2.296 20 10 BECDHM C[C@@H]1CN(Cc2c([O-])cccc2F)C[C@H](C)O1 ZINC001137831536 990854534 /nfs/dbraw/zinc/85/45/34/990854534.db2.gz DEYAYHCAHLBIHA-AOOOYVTPSA-N -1 3 239.290 2.141 20 10 BECDHM C[C@@H]1C[C@@H](F)CN1Cc1c([O-])cccc1F ZINC001137831846 990857673 /nfs/dbraw/zinc/85/76/73/990857673.db2.gz PRFNPENZYQWOSG-RKDXNWHRSA-N -1 3 227.254 2.464 20 10 BECDHM C[C@H]1CN(Cc2ccc(Cl)cc2[O-])CCO1 ZINC001140462893 991644206 /nfs/dbraw/zinc/64/42/06/991644206.db2.gz NOFDCPLTXGXPRJ-VIFPVBQESA-N -1 3 241.718 2.266 20 10 BECDHM C[C@H]([NH2+][C@@H]1C=CCC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593208538 994226375 /nfs/dbraw/zinc/22/63/75/994226375.db2.gz CYWAMWAWAZKRQV-GXSJLCMTSA-N -1 3 247.294 2.460 20 10 BECDHM C[C@@H]([NH2+]C1(C)CC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001609776040 1170290322 /nfs/dbraw/zinc/29/03/22/1170290322.db2.gz PCBGLDQKFQLSBR-MRVPVSSYSA-N -1 3 235.283 2.294 20 10 BECDHM [O-]c1cc(F)c(F)cc1CN1CC=CCC1 ZINC001621200515 1170742877 /nfs/dbraw/zinc/74/28/77/1170742877.db2.gz MEXFHNSXJGLDJL-UHFFFAOYSA-N -1 3 225.238 2.432 20 10 BECDHM CC[C@@H]1CCC[C@H]1NC(=O)c1cccc(O)c1[O-] ZINC000279293216 346219653 /nfs/dbraw/zinc/21/96/53/346219653.db2.gz MOBJHBAYZMIFJC-MWLCHTKSSA-N -1 3 249.310 2.406 20 10 BECDHM [O-]c1ccc(F)cc1CN1CCC[C@H]1CF ZINC000293961245 183274647 /nfs/dbraw/zinc/27/46/47/183274647.db2.gz JNDQOEBQRCQMTC-NSHDSACASA-N -1 3 227.254 2.465 20 10 BECDHM [O-]c1cccc(Cl)c1CNCCF ZINC000280848129 183292832 /nfs/dbraw/zinc/29/28/32/183292832.db2.gz ZFPXKRPBCLCEGI-UHFFFAOYSA-N -1 3 203.644 2.105 20 10 BECDHM C[C@@H](NCc1nccn1C)c1ccc(F)cc1[O-] ZINC000071273443 384157953 /nfs/dbraw/zinc/15/79/53/384157953.db2.gz MNEXBCCMVIVKIR-SECBINFHSA-N -1 3 249.289 2.116 20 10 BECDHM CCC1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000126283010 384789069 /nfs/dbraw/zinc/78/90/69/384789069.db2.gz WSAFPZMGYMHISU-UHFFFAOYSA-N -1 3 249.310 2.360 20 10 BECDHM C[C@@H]1CCCN(C(=O)c2cccc(O)c2[O-])[C@H]1C ZINC000126376068 384794762 /nfs/dbraw/zinc/79/47/62/384794762.db2.gz OHFBWKWLMVUWFM-ZJUUUORDSA-N -1 3 249.310 2.358 20 10 BECDHM C[C@@H]1OCCN(Cc2cc(F)ccc2[O-])[C@H]1C ZINC000180158708 385386074 /nfs/dbraw/zinc/38/60/74/385386074.db2.gz GQFYFYAWQJJAET-UWVGGRQHSA-N -1 3 239.290 2.141 20 10 BECDHM O=C(c1cccc(O)c1[O-])N1CCC[C@H]1C1CC1 ZINC000364827716 385523731 /nfs/dbraw/zinc/52/37/31/385523731.db2.gz BFPUTGUDEWJCNL-NSHDSACASA-N -1 3 247.294 2.112 20 10 BECDHM Cc1nc(C(C)(C)NCc2ccccc2[O-])no1 ZINC000264253233 386221135 /nfs/dbraw/zinc/22/11/35/386221135.db2.gz BJMGGRUICONADP-UHFFFAOYSA-N -1 3 247.298 2.109 20 10 BECDHM Cc1cc(CN(C)Cc2ccccc2[O-])ncn1 ZINC000293253448 386794058 /nfs/dbraw/zinc/79/40/58/386794058.db2.gz ROVHFZIHRVUCEW-UHFFFAOYSA-N -1 3 243.310 2.123 20 10 BECDHM CC(C)C1(NC(=O)c2cccc(O)c2[O-])CC1 ZINC000293911466 388392828 /nfs/dbraw/zinc/39/28/28/388392828.db2.gz LDLDHMBEENSMBE-UHFFFAOYSA-N -1 3 235.283 2.016 20 10 BECDHM CC[C@@H]1CCN1C(=O)c1ccc(C)c(O)c1[O-] ZINC000293939157 171020932 /nfs/dbraw/zinc/02/09/32/171020932.db2.gz IGQOOUCYCGVXHZ-SECBINFHSA-N -1 3 235.283 2.031 20 10 BECDHM CC[C@@H]1CN(Cc2cc(F)ccc2[O-])CCO1 ZINC000179908987 171089833 /nfs/dbraw/zinc/08/98/33/171089833.db2.gz YJEVCPAYEKIOBT-GFCCVEGCSA-N -1 3 239.290 2.142 20 10 BECDHM CC[C@H](C)[C@@H](C)NC(=O)c1cccc(O)c1[O-] ZINC000126296233 171363995 /nfs/dbraw/zinc/36/39/95/171363995.db2.gz BSICYAOLSTVCCT-DTWKUNHWSA-N -1 3 237.299 2.262 20 10 BECDHM C[C@]1(CNC(=O)c2cc([O-])cs2)CC1(F)F ZINC000855795015 588848354 /nfs/dbraw/zinc/84/83/54/588848354.db2.gz KPBDMQBISVZEAH-SECBINFHSA-N -1 3 247.266 2.229 20 10 BECDHM O=C(OCC1CCC1)c1cc([O-])cs1 ZINC000745003039 583006592 /nfs/dbraw/zinc/00/65/92/583006592.db2.gz VBUMQDKLTHLNEU-UHFFFAOYSA-N -1 3 212.270 2.411 20 10 BECDHM [O-]c1ccc(F)cc1CN1CC[C@H]1C(F)F ZINC000895430105 583669751 /nfs/dbraw/zinc/66/97/51/583669751.db2.gz BARAFLDSPLJVNZ-VIFPVBQESA-N -1 3 231.217 2.371 20 10 BECDHM Cc1n[nH]c(CNCc2c([O-])cccc2F)c1C ZINC000896643189 583818564 /nfs/dbraw/zinc/81/85/64/583818564.db2.gz STCNJUMBIYAVKA-UHFFFAOYSA-N -1 3 249.289 2.161 20 10 BECDHM Cc1[nH]nc(CNCc2c([O-])cccc2F)c1C ZINC000896643189 583818565 /nfs/dbraw/zinc/81/85/65/583818565.db2.gz STCNJUMBIYAVKA-UHFFFAOYSA-N -1 3 249.289 2.161 20 10 BECDHM C[C@@H](NCc1csc(N)n1)c1ccccc1[O-] ZINC000902492328 584618858 /nfs/dbraw/zinc/61/88/58/584618858.db2.gz XVGUSNAVCXVBQO-MRVPVSSYSA-N -1 3 249.339 2.282 20 10 BECDHM CCn1cnc(CN[C@@H](C)c2ccccc2[O-])c1 ZINC000902642860 584645343 /nfs/dbraw/zinc/64/53/43/584645343.db2.gz JSKRKIIBVGYARK-NSHDSACASA-N -1 3 245.326 2.459 20 10 BECDHM CN(Cc1ccncc1)C(=O)c1cc([O-])cs1 ZINC000731867698 584930543 /nfs/dbraw/zinc/93/05/43/584930543.db2.gz QCNLXKWDXMOALJ-UHFFFAOYSA-N -1 3 248.307 2.121 20 10 BECDHM CC(C)(C)C(=O)COC(=O)c1cc([O-])cs1 ZINC000731910607 584931257 /nfs/dbraw/zinc/93/12/57/584931257.db2.gz UARXMCPLRYDRAC-UHFFFAOYSA-N -1 3 242.296 2.226 20 10 BECDHM Cc1cc(NC(=O)c2cc([O-])cs2)no1 ZINC000732261841 584935162 /nfs/dbraw/zinc/93/51/62/584935162.db2.gz PALCSRCDEDMWRS-UHFFFAOYSA-N -1 3 224.241 2.002 20 10 BECDHM COC1(C)CN(Cc2c([O-])cccc2Cl)C1 ZINC000839101862 585090950 /nfs/dbraw/zinc/09/09/50/585090950.db2.gz IKQSALBXJXSZBB-UHFFFAOYSA-N -1 3 241.718 2.266 20 10 BECDHM CN(Cc1ccc[nH]1)C(=O)c1cc([O-])cs1 ZINC000747516314 585180288 /nfs/dbraw/zinc/18/02/88/585180288.db2.gz JHFFKUCEOJNQSM-UHFFFAOYSA-N -1 3 236.296 2.054 20 10 BECDHM CC[C@@H](C)N(C)C(=O)c1cc([O-])cs1 ZINC000751396320 585229539 /nfs/dbraw/zinc/22/95/39/585229539.db2.gz SLEZAFVVMWKANL-SSDOTTSWSA-N -1 3 213.302 2.324 20 10 BECDHM Cc1ncc(NC(=O)c2cc([O-])cs2)s1 ZINC000752643742 585248654 /nfs/dbraw/zinc/24/86/54/585248654.db2.gz IFINCZUIXKHFMH-UHFFFAOYSA-N -1 3 240.309 2.471 20 10 BECDHM CC[C@H]1CCN(C(=O)c2cc([O-])cs2)C1 ZINC000755863498 585309085 /nfs/dbraw/zinc/30/90/85/585309085.db2.gz BXEIGDWSGVAPNG-QMMMGPOBSA-N -1 3 225.313 2.326 20 10 BECDHM O=C(c1cc([O-])cs1)N1CC[C@H](C2CC2)C1 ZINC000765421377 585486037 /nfs/dbraw/zinc/48/60/37/585486037.db2.gz OJJAGEIKDGULRM-VIFPVBQESA-N -1 3 237.324 2.326 20 10 BECDHM COCCN(C)Cc1cc(Cl)cc(F)c1[O-] ZINC000775647842 585682282 /nfs/dbraw/zinc/68/22/82/585682282.db2.gz CVKFXEBEWHCHMW-UHFFFAOYSA-N -1 3 247.697 2.263 20 10 BECDHM CN(Cc1ccc[nH]1)Cc1cc(F)ccc1[O-] ZINC000779032480 585744224 /nfs/dbraw/zinc/74/42/24/585744224.db2.gz JLDZUNUPXVPLJB-UHFFFAOYSA-N -1 3 234.274 2.491 20 10 BECDHM Cc1ccc(C(=O)NC[C@@H](C)C2CC2)c([O-])c1O ZINC000780907738 585785989 /nfs/dbraw/zinc/78/59/89/585785989.db2.gz WPCUXDISXZDNMX-SECBINFHSA-N -1 3 249.310 2.182 20 10 BECDHM Cc1ccc(C(=O)N[C@@H]2CC[C@@H](C)C2)c([O-])c1O ZINC000781611392 585800343 /nfs/dbraw/zinc/80/03/43/585800343.db2.gz MZLYURGXMXGGQZ-PSASIEDQSA-N -1 3 249.310 2.325 20 10 BECDHM O=C(c1cc([O-])cs1)N1CCC=C(F)C1 ZINC000783658726 585839639 /nfs/dbraw/zinc/83/96/39/585839639.db2.gz NLEWWNSLANKNKZ-UHFFFAOYSA-N -1 3 227.260 2.153 20 10 BECDHM O=C(OCC[C@H]1CCCO1)c1cc([O-])cs1 ZINC000787704212 585914241 /nfs/dbraw/zinc/91/42/41/585914241.db2.gz PXBVFXFIDYVBSF-SECBINFHSA-N -1 3 242.296 2.180 20 10 BECDHM C[C@H]1C[C@@H](O)CN1Cc1cc(Cl)ccc1[O-] ZINC000788268501 585920414 /nfs/dbraw/zinc/92/04/14/585920414.db2.gz DVSFCMQEYSFKQB-GZMMTYOYSA-N -1 3 241.718 2.001 20 10 BECDHM Cc1ccc(C(=O)N2[C@H](C)C[C@@H]2C)c([O-])c1O ZINC000792531067 586001964 /nfs/dbraw/zinc/00/19/64/586001964.db2.gz MXNOWDAPYXOXFP-DTORHVGOSA-N -1 3 235.283 2.029 20 10 BECDHM O=C(OCCCCF)c1cc([O-])cs1 ZINC000803346153 586346077 /nfs/dbraw/zinc/34/60/77/586346077.db2.gz OANKATXUGUNEHU-UHFFFAOYSA-N -1 3 218.249 2.360 20 10 BECDHM C[C@@H]1[C@@H](C)CN1Cc1cccc(F)c1[O-] ZINC000816646813 586749239 /nfs/dbraw/zinc/74/92/39/586749239.db2.gz JHYPPZRXJGRMRM-DTWKUNHWSA-N -1 3 209.264 2.372 20 10 BECDHM Cc1cccc(C[NH2+]CCCCC(=O)[O-])c1[O-] ZINC000821112240 587096585 /nfs/dbraw/zinc/09/65/85/587096585.db2.gz LMSNEKCUZHHIMA-UHFFFAOYSA-N -1 3 237.299 2.045 20 10 BECDHM Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)[O-])c1[O-] ZINC000821112403 587096681 /nfs/dbraw/zinc/09/66/81/587096681.db2.gz YMYUZZWBOQEKTR-GFCCVEGCSA-N -1 3 249.310 2.140 20 10 BECDHM Cc1cccc(C[N@H+]2CCCC[C@@H]2C(=O)[O-])c1[O-] ZINC000821112403 587096683 /nfs/dbraw/zinc/09/66/83/587096683.db2.gz YMYUZZWBOQEKTR-GFCCVEGCSA-N -1 3 249.310 2.140 20 10 BECDHM CC(=O)[C@H](OC(=O)c1cc([O-])cs1)C(C)C ZINC000828842055 587466000 /nfs/dbraw/zinc/46/60/00/587466000.db2.gz LPXUODVLCJAQRQ-SNVBAGLBSA-N -1 3 242.296 2.224 20 10 BECDHM CC(C)[C@@H]1C[C@H]1CNC(=O)c1cccc(O)c1[O-] ZINC000836917254 587842828 /nfs/dbraw/zinc/84/28/28/587842828.db2.gz NDPVXDRHROZZJY-ONGXEEELSA-N -1 3 249.310 2.120 20 10 BECDHM CC(C)(C)C1CN(C(=O)c2cccc(O)c2[O-])C1 ZINC000837270056 587863023 /nfs/dbraw/zinc/86/30/23/587863023.db2.gz ILSSSACXHRRFOF-UHFFFAOYSA-N -1 3 249.310 2.216 20 10 BECDHM CCC(C)(C)NC(=O)c1cc([O-])cs1 ZINC000846631409 588280277 /nfs/dbraw/zinc/28/02/77/588280277.db2.gz MQAMYQZYOHDJKM-UHFFFAOYSA-N -1 3 213.302 2.372 20 10 BECDHM Cc1nc(CN(C)Cc2ccccc2[O-])[nH]c1C ZINC000862228894 589195532 /nfs/dbraw/zinc/19/55/32/589195532.db2.gz ZVDHDMSBPGSVPZ-UHFFFAOYSA-N -1 3 245.326 2.364 20 10 BECDHM [O-]c1ccccc1CNCc1cn(C2CC2)cn1 ZINC000865441140 589435853 /nfs/dbraw/zinc/43/58/53/589435853.db2.gz BULLLMPTBCYYKK-UHFFFAOYSA-N -1 3 243.310 2.213 20 10 BECDHM C[C@H]1OCC[C@@H]1COC(=O)c1cc([O-])cs1 ZINC000869394818 589603492 /nfs/dbraw/zinc/60/34/92/589603492.db2.gz WBBOZIZBTBMHJS-HTQZYQBOSA-N -1 3 242.296 2.036 20 10 BECDHM CO[C@H]1C[C@@H](COC(=O)c2cc([O-])cs2)C1 ZINC000873360403 590030697 /nfs/dbraw/zinc/03/06/97/590030697.db2.gz SGGDVRAXTNWHNE-OTSSQURYSA-N -1 3 242.296 2.036 20 10 BECDHM Cc1ccc(C(=O)N[C@@H]2CC23CCC3)c([O-])c1O ZINC000874786084 590135653 /nfs/dbraw/zinc/13/56/53/590135653.db2.gz XINAXVUEZFUPFB-SNVBAGLBSA-N -1 3 247.294 2.079 20 10 BECDHM CN(Cc1ccns1)Cc1ccccc1[O-] ZINC000876615367 590222247 /nfs/dbraw/zinc/22/22/47/590222247.db2.gz CCPRBVOXIRVDLI-UHFFFAOYSA-N -1 3 234.324 2.481 20 10 BECDHM Cc1cc(CNCc2c(C)cccc2[O-])no1 ZINC000876970887 590263027 /nfs/dbraw/zinc/26/30/27/590263027.db2.gz FLXDLKHMRKUIMN-UHFFFAOYSA-N -1 3 232.283 2.287 20 10 BECDHM O=C(NCc1ccsc1)c1cccc(O)c1[O-] ZINC000126406657 590301436 /nfs/dbraw/zinc/30/14/36/590301436.db2.gz WAOYKWPMMUKERD-UHFFFAOYSA-N -1 3 249.291 2.089 20 10 BECDHM Cc1ccc(CNCC(F)F)c([O-])c1 ZINC000877518944 590345319 /nfs/dbraw/zinc/34/53/19/590345319.db2.gz VMNCLMSBSNDROP-UHFFFAOYSA-N -1 3 201.216 2.055 20 10 BECDHM Cc1ncc(CN2Cc3cccc([O-])c3C2)o1 ZINC000877703271 590396603 /nfs/dbraw/zinc/39/66/03/590396603.db2.gz ZGMPINJPWOQIRB-UHFFFAOYSA-N -1 3 230.267 2.204 20 10 BECDHM [O-]c1cccc2c1CN(Cc1ccns1)C2 ZINC000877703077 590396752 /nfs/dbraw/zinc/39/67/52/590396752.db2.gz QDFCMVXQOVVSLH-UHFFFAOYSA-N -1 3 232.308 2.365 20 10 BECDHM Cc1noc([C@@H](C)N[C@H](C)c2ccccc2[O-])n1 ZINC000879648800 590841197 /nfs/dbraw/zinc/84/11/97/590841197.db2.gz FCVCRJMTFRRGCD-RKDXNWHRSA-N -1 3 247.298 2.495 20 10 BECDHM Cc1noc([C@@H](C)N[C@@H](C)c2ccccc2[O-])n1 ZINC000879651635 590843633 /nfs/dbraw/zinc/84/36/33/590843633.db2.gz FCVCRJMTFRRGCD-DTWKUNHWSA-N -1 3 247.298 2.495 20 10 BECDHM C[C@H]1CN(Cc2c([O-])cccc2Cl)CCO1 ZINC000132477075 591711619 /nfs/dbraw/zinc/71/16/19/591711619.db2.gz MKRMBMPMXHAITB-VIFPVBQESA-N -1 3 241.718 2.266 20 10 BECDHM CC[C@@H](NC(=O)c1cccc(O)c1[O-])C1CC1 ZINC000324136837 641566537 /nfs/dbraw/zinc/56/65/37/641566537.db2.gz JQHFITVUDIOAQI-SNVBAGLBSA-N -1 3 235.283 2.016 20 10 BECDHM CC(C)[S@@](C)(=O)=NC(=O)c1cc([O-])cs1 ZINC000926056891 646566946 /nfs/dbraw/zinc/56/69/46/646566946.db2.gz YLTTVGQUSKCVPP-OAHLLOKOSA-N -1 3 247.341 2.100 20 10 BECDHM C[C@]1(NC(=O)c2cccc(O)c2[O-])CC=CCC1 ZINC000398367935 711409622 /nfs/dbraw/zinc/40/96/22/711409622.db2.gz IBABVVPRODGEJI-AWEZNQCLSA-N -1 3 247.294 2.326 20 10 BECDHM C[C@@H]1[C@@H](C)[C@H](C)CN1C(=O)c1cccc(O)c1[O-] ZINC000399520351 711430711 /nfs/dbraw/zinc/43/07/11/711430711.db2.gz CHOYIZFMGWIRIV-KXUCPTDWSA-N -1 3 249.310 2.214 20 10 BECDHM CC[C@]1(C)CCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000399303100 711427693 /nfs/dbraw/zinc/42/76/93/711427693.db2.gz OAOFZEOFOQSXFD-CQSZACIVSA-N -1 3 249.310 2.360 20 10 BECDHM O=C(NCCC1CC=CC1)c1cccc(O)c1[O-] ZINC000724403091 710740230 /nfs/dbraw/zinc/74/02/30/710740230.db2.gz GJFCCDBLJJWUSK-UHFFFAOYSA-N -1 3 247.294 2.184 20 10 BECDHM O=C(N[C@H]1CC12CCCC2)c1cccc(O)c1[O-] ZINC000387336226 711788215 /nfs/dbraw/zinc/78/82/15/711788215.db2.gz SQTRFTIQNCQAST-NSHDSACASA-N -1 3 247.294 2.160 20 10 BECDHM CC1(C)CC(CNC(=O)c2cccc(O)c2[O-])C1 ZINC000701446282 712023595 /nfs/dbraw/zinc/02/35/95/712023595.db2.gz VEPNTUKBMMFDAJ-UHFFFAOYSA-N -1 3 249.310 2.264 20 10 BECDHM CC(C)CC1(NC(=O)c2cccc(O)c2[O-])CC1 ZINC000701470238 712024414 /nfs/dbraw/zinc/02/44/14/712024414.db2.gz MQJRJWNVKHNKAU-UHFFFAOYSA-N -1 3 249.310 2.406 20 10 BECDHM [O-]c1cccc(F)c1CN1CCC[C@@H]1CF ZINC001137841568 967967051 /nfs/dbraw/zinc/96/70/51/967967051.db2.gz JYTLOQLLQSLRGB-SECBINFHSA-N -1 3 227.254 2.465 20 10 BECDHM C[C@@H]1C[C@@H]1c1nnc(-c2cccc(O)c2[O-])o1 ZINC001256616767 970881967 /nfs/dbraw/zinc/88/19/67/970881967.db2.gz IXPTVDSSMBMEHN-SVRRBLITSA-N -1 3 232.239 2.271 20 10 BECDHM O=C(N[C@@]12C[C@@H]1CCCC2)c1cccc(O)c1[O-] ZINC000693835617 959416472 /nfs/dbraw/zinc/41/64/72/959416472.db2.gz GDUIIXKUNOWUJG-XPTSAGLGSA-N -1 3 247.294 2.160 20 10 BECDHM C[C@@H]1CCC[N@@H+]1Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231447047 977589989 /nfs/dbraw/zinc/58/99/89/977589989.db2.gz NTQYPEOLSOMHJS-SECBINFHSA-N -1 3 235.283 2.075 20 10 BECDHM C[C@@H]1CCC[N@H+]1Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231447047 977590000 /nfs/dbraw/zinc/59/00/00/977590000.db2.gz NTQYPEOLSOMHJS-SECBINFHSA-N -1 3 235.283 2.075 20 10 BECDHM O=C([O-])c1ccc(C[N@@H+]2CCC[C@H]3C[C@H]32)c([O-])c1 ZINC001231453015 977597384 /nfs/dbraw/zinc/59/73/84/977597384.db2.gz AABOWPGHJBONGH-JOYOIKCWSA-N -1 3 247.294 2.075 20 10 BECDHM O=C([O-])c1ccc(C[N@H+]2CCC[C@H]3C[C@H]32)c([O-])c1 ZINC001231453015 977597390 /nfs/dbraw/zinc/59/73/90/977597390.db2.gz AABOWPGHJBONGH-JOYOIKCWSA-N -1 3 247.294 2.075 20 10 BECDHM C[C@@H]([NH2+][C@@H](C)[C@H]1C[C@@H]1C(=O)[O-])c1ccccc1[O-] ZINC001604357515 979626758 /nfs/dbraw/zinc/62/67/58/979626758.db2.gz KZYMWQHKXYNHPU-DMWPJOQESA-N -1 3 249.310 2.152 20 10 BECDHM CCC[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001605334091 979854181 /nfs/dbraw/zinc/85/41/81/979854181.db2.gz LJPUQJKENAGOOO-MRVPVSSYSA-N -1 3 223.272 2.151 20 10 BECDHM Cc1ccc(C[NH2+][C@H]2CCC[C@H]2C(=O)[O-])c([O-])c1 ZINC001594362492 987839858 /nfs/dbraw/zinc/83/98/58/987839858.db2.gz ICIUOFOLXUKHAK-NEPJUHHUSA-N -1 3 249.310 2.044 20 10 BECDHM C[N@H+](Cc1ccccc1[O-])C(C)(C)CC(=O)[O-] ZINC001119601743 989217084 /nfs/dbraw/zinc/21/70/84/989217084.db2.gz DXYUJCJIKXGJBO-UHFFFAOYSA-N -1 3 237.299 2.077 20 10 BECDHM C[N@@H+](Cc1ccccc1[O-])C(C)(C)CC(=O)[O-] ZINC001119601743 989217095 /nfs/dbraw/zinc/21/70/95/989217095.db2.gz DXYUJCJIKXGJBO-UHFFFAOYSA-N -1 3 237.299 2.077 20 10 BECDHM CC[C@@H]1COCCN1Cc1c([O-])cccc1F ZINC001137839254 990859198 /nfs/dbraw/zinc/85/91/98/990859198.db2.gz YKIXHBAUVKBXTQ-SNVBAGLBSA-N -1 3 239.290 2.142 20 10 BECDHM C[C@H]1CC(=O)CCN1Cc1cc(F)ccc1[O-] ZINC001140055231 991509708 /nfs/dbraw/zinc/50/97/08/991509708.db2.gz OGUVXSYLGMEFTK-VIFPVBQESA-N -1 3 237.274 2.085 20 10 BECDHM O=C1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC001140337876 991610211 /nfs/dbraw/zinc/61/02/11/991610211.db2.gz KQGVAVAKSIZMRD-UHFFFAOYSA-N -1 3 239.702 2.211 20 10 BECDHM C[C@@H]1CN(Cc2ccc(Cl)cc2[O-])CCO1 ZINC001140462892 991643143 /nfs/dbraw/zinc/64/31/43/991643143.db2.gz NOFDCPLTXGXPRJ-SECBINFHSA-N -1 3 241.718 2.266 20 10 BECDHM Cc1cc(Cl)cc(CN2CCOCC2)c1[O-] ZINC000183370220 178063641 /nfs/dbraw/zinc/06/36/41/178063641.db2.gz CGOZQQATZXGVLI-UHFFFAOYSA-N -1 3 241.718 2.186 20 10 BECDHM Cc1ccc(C(=O)N2CCC(C)(C)C2)c([O-])c1O ZINC000179525347 178384048 /nfs/dbraw/zinc/38/40/48/178384048.db2.gz MYTHYSGGYBXYRN-UHFFFAOYSA-N -1 3 249.310 2.278 20 10 BECDHM [O-]c1c(Cl)cccc1CN1CCC[C@H](O)C1 ZINC000132480843 191103058 /nfs/dbraw/zinc/10/30/58/191103058.db2.gz JYCIRLIOAGJPOB-JTQLQIEISA-N -1 3 241.718 2.002 20 10 BECDHM CC(C)C[C@H](C)NC(=O)c1cccc(O)c1[O-] ZINC000126250279 188329783 /nfs/dbraw/zinc/32/97/83/188329783.db2.gz GZLAGXTXDKJYCB-VIFPVBQESA-N -1 3 237.299 2.262 20 10 BECDHM CC(C)[C@H](C)N(C)C(=O)c1cccc(O)c1[O-] ZINC000126263466 188330233 /nfs/dbraw/zinc/33/02/33/188330233.db2.gz UAUXCXISJCMRKK-VIFPVBQESA-N -1 3 237.299 2.214 20 10 BECDHM O=C(NCC1=CCCCC1)c1cccc(O)c1[O-] ZINC000295854959 182134127 /nfs/dbraw/zinc/13/41/27/182134127.db2.gz SOTAEBBKQMPYNV-UHFFFAOYSA-N -1 3 247.294 2.328 20 10 BECDHM O=C(c1cccc(O)c1[O-])N1CCCCCC1 ZINC000126193647 182674002 /nfs/dbraw/zinc/67/40/02/182674002.db2.gz MOBGMGRQLLEYTA-UHFFFAOYSA-N -1 3 235.283 2.114 20 10 BECDHM [O-]c1ccccc1CNCc1nccs1 ZINC000041011586 183303311 /nfs/dbraw/zinc/30/33/11/183303311.db2.gz LNWZRMMZKKWQGZ-UHFFFAOYSA-N -1 3 220.297 2.139 20 10 BECDHM CC(=O)c1cc(F)cc(CN2CCCC2)c1[O-] ZINC000037322534 383970319 /nfs/dbraw/zinc/97/03/19/383970319.db2.gz CXQQEIWABDGDSC-UHFFFAOYSA-N -1 3 237.274 2.330 20 10 BECDHM CN(Cc1cncs1)Cc1ccccc1[O-] ZINC000091956577 384157681 /nfs/dbraw/zinc/15/76/81/384157681.db2.gz WUYHAUJVMQKPHS-UHFFFAOYSA-N -1 3 234.324 2.481 20 10 BECDHM CC[C@H]1[C@H](C)CCN1C(=O)c1cccc(O)c1[O-] ZINC000280560088 385334551 /nfs/dbraw/zinc/33/45/51/385334551.db2.gz UUVOASGZRMIABW-KOLCDFICSA-N -1 3 249.310 2.358 20 10 BECDHM C[C@@H]1[C@H](C)OCCN1Cc1cc(F)ccc1[O-] ZINC000180158690 385385223 /nfs/dbraw/zinc/38/52/23/385385223.db2.gz GQFYFYAWQJJAET-ZJUUUORDSA-N -1 3 239.290 2.141 20 10 BECDHM O=C(c1cccc(O)c1[O-])N1CCCC2(CC2)C1 ZINC000193167578 385387500 /nfs/dbraw/zinc/38/75/00/385387500.db2.gz YEMQKNFRHNKRGB-UHFFFAOYSA-N -1 3 247.294 2.114 20 10 BECDHM CN(Cc1ccon1)Cc1cc(F)ccc1[O-] ZINC000272267557 385889332 /nfs/dbraw/zinc/88/93/32/385889332.db2.gz KXMXZNCSOOOGDI-UHFFFAOYSA-N -1 3 236.246 2.151 20 10 BECDHM CCN(CC(C)C)C(=O)c1cccc(O)c1[O-] ZINC000126246861 387026587 /nfs/dbraw/zinc/02/65/87/387026587.db2.gz RSOBDEJCZMYKLN-UHFFFAOYSA-N -1 3 237.299 2.216 20 10 BECDHM CC(C)CCCNC(=O)c1cccc(O)c1[O-] ZINC000126399618 387679449 /nfs/dbraw/zinc/67/94/49/387679449.db2.gz CWPHICYZWUILIA-UHFFFAOYSA-N -1 3 237.299 2.264 20 10 BECDHM CCC(C)(C)NC(=O)c1ccc(C)c(O)c1[O-] ZINC000179411345 168297097 /nfs/dbraw/zinc/29/70/97/168297097.db2.gz INAKXEZWXDXLRE-UHFFFAOYSA-N -1 3 237.299 2.325 20 10 BECDHM C[C@@H](c1cnccn1)N(C)Cc1ccccc1[O-] ZINC000184654850 176035564 /nfs/dbraw/zinc/03/55/64/176035564.db2.gz SGVQILPCPATLCR-NSHDSACASA-N -1 3 243.310 2.375 20 10 BECDHM C[C@@H]1CCC[C@H]1NC(=O)c1cccc(O)c1[O-] ZINC000126407813 176149530 /nfs/dbraw/zinc/14/95/30/176149530.db2.gz HLZMZSHJOVYCDE-PSASIEDQSA-N -1 3 235.283 2.016 20 10 BECDHM C[C@@H]1CN(Cc2cccc(F)c2[O-])CCS1 ZINC000272320900 176306220 /nfs/dbraw/zinc/30/62/20/176306220.db2.gz UJWVMOULGCIIDP-SECBINFHSA-N -1 3 241.331 2.469 20 10 BECDHM C[C@@H]1CO[C@@H](C)CN1Cc1cc(F)ccc1[O-] ZINC000179938620 177260309 /nfs/dbraw/zinc/26/03/09/177260309.db2.gz SVKCQKLDCKVIQI-ZJUUUORDSA-N -1 3 239.290 2.141 20 10 BECDHM C[C@H]1CN(Cc2cccc(F)c2[O-])[C@@H](C)CO1 ZINC000226379885 177264369 /nfs/dbraw/zinc/26/43/69/177264369.db2.gz NCPVAFHGTBOLJL-UWVGGRQHSA-N -1 3 239.290 2.141 20 10 BECDHM C[C@@]1(CNC(=O)c2cc([O-])cs2)CC1(F)F ZINC000855795016 588848437 /nfs/dbraw/zinc/84/84/37/588848437.db2.gz KPBDMQBISVZEAH-VIFPVBQESA-N -1 3 247.266 2.229 20 10 BECDHM CC[C@H](NC(=O)c1cc([O-])cs1)C1CC1 ZINC000855858160 588851462 /nfs/dbraw/zinc/85/14/62/588851462.db2.gz WAPKMAKJEUTIMM-VIFPVBQESA-N -1 3 225.313 2.372 20 10 BECDHM Cc1ccc(C(=O)N[C@]2(C)CC2(C)C)c([O-])c1O ZINC000856134687 583115840 /nfs/dbraw/zinc/11/58/40/583115840.db2.gz DGEAJMZXXOULQO-CQSZACIVSA-N -1 3 249.310 2.325 20 10 BECDHM Cc1ccc(C(=O)NCC2CC(C)C2)c([O-])c1O ZINC000857736666 588907048 /nfs/dbraw/zinc/90/70/48/588907048.db2.gz NIDRXVZBYMAMQV-UHFFFAOYSA-N -1 3 249.310 2.182 20 10 BECDHM Cc1nc(CNCc2c([O-])cccc2F)[nH]c1C ZINC000896639894 583820275 /nfs/dbraw/zinc/82/02/75/583820275.db2.gz YZTUYIXXJKVMRT-UHFFFAOYSA-N -1 3 249.289 2.161 20 10 BECDHM CC(C)CCNC(=O)c1cc([O-])cs1 ZINC000731866377 584929798 /nfs/dbraw/zinc/92/97/98/584929798.db2.gz NBVWQADXANACMY-UHFFFAOYSA-N -1 3 213.302 2.230 20 10 BECDHM C[C@@H](NC(=O)c1cc([O-])cs1)c1cccnc1 ZINC000731864600 584930048 /nfs/dbraw/zinc/93/00/48/584930048.db2.gz ZHBCJXTUHNQSEU-MRVPVSSYSA-N -1 3 248.307 2.340 20 10 BECDHM CCCCN(C)C(=O)c1cc([O-])cs1 ZINC000731865006 584930080 /nfs/dbraw/zinc/93/00/80/584930080.db2.gz HLOOTTRRWCDAJL-UHFFFAOYSA-N -1 3 213.302 2.326 20 10 BECDHM C[C@H]1CCCCN1C(=O)c1cc([O-])cs1 ZINC000732258407 584935051 /nfs/dbraw/zinc/93/50/51/584935051.db2.gz NGZUTCIXYJEHGR-QMMMGPOBSA-N -1 3 225.313 2.468 20 10 BECDHM CN(CC(F)(F)F)C(=O)c1cc([O-])cs1 ZINC000732271195 584935397 /nfs/dbraw/zinc/93/53/97/584935397.db2.gz QKEOIAPDEJLHJI-UHFFFAOYSA-N -1 3 239.218 2.088 20 10 BECDHM O=C(c1cc([O-])cs1)N1CCC[C@@H]1C1CC1 ZINC000732286311 584935791 /nfs/dbraw/zinc/93/57/91/584935791.db2.gz QJOQBIVRRYCEFR-SNVBAGLBSA-N -1 3 237.324 2.468 20 10 BECDHM CC[C@H]1CCCN1C(=O)c1cc([O-])cs1 ZINC000732285143 584935910 /nfs/dbraw/zinc/93/59/10/584935910.db2.gz TUGJDOUFQWFWNT-QMMMGPOBSA-N -1 3 225.313 2.468 20 10 BECDHM CC(C)(C)OCCOC(=O)c1cc([O-])cs1 ZINC000732354558 584936188 /nfs/dbraw/zinc/93/61/88/584936188.db2.gz VSCBGMWUFBYMSW-UHFFFAOYSA-N -1 3 244.312 2.426 20 10 BECDHM C[C@@H]1CSCCN1C(=O)c1cc([O-])cs1 ZINC000738547335 585047046 /nfs/dbraw/zinc/04/70/46/585047046.db2.gz BUHBCYPERXLTLT-SSDOTTSWSA-N -1 3 243.353 2.031 20 10 BECDHM COC1(C)CN(Cc2cc(Cl)ccc2[O-])C1 ZINC000839101374 585090938 /nfs/dbraw/zinc/09/09/38/585090938.db2.gz ANEULRGMAFAEGP-UHFFFAOYSA-N -1 3 241.718 2.266 20 10 BECDHM COc1cccc([O-])c1CN1CC(C(F)F)C1 ZINC000839141648 585094643 /nfs/dbraw/zinc/09/46/43/585094643.db2.gz VCGSVSKCJQQZOA-UHFFFAOYSA-N -1 3 243.253 2.098 20 10 BECDHM C[C@H]1C[C@H](C)N(C(=O)c2cc([O-])cs2)C1 ZINC000740928978 585108232 /nfs/dbraw/zinc/10/82/32/585108232.db2.gz VXGIOOOZHWFYTR-YUMQZZPRSA-N -1 3 225.313 2.324 20 10 BECDHM Cc1cc(=O)[n-]c(CSc2nccs2)n1 ZINC000754453359 585284748 /nfs/dbraw/zinc/28/47/48/585284748.db2.gz ZYZYMUPSRGYZNA-UHFFFAOYSA-N -1 3 239.325 2.239 20 10 BECDHM CC(C)[C@@H]1CCN1C(=O)c1cc([O-])cs1 ZINC000839782053 585341683 /nfs/dbraw/zinc/34/16/83/585341683.db2.gz FRKGXLHZVIIIFB-VIFPVBQESA-N -1 3 225.313 2.324 20 10 BECDHM O=C(N[C@H]1CCC(F)(F)C1)c1cc([O-])cs1 ZINC000764342980 585463721 /nfs/dbraw/zinc/46/37/21/585463721.db2.gz LDGIUTKRLCDHKG-LURJTMIESA-N -1 3 247.266 2.371 20 10 BECDHM C[C@H]1CCN(C(=O)c2cc([O-])cs2)C[C@H]1F ZINC000778518359 585736565 /nfs/dbraw/zinc/73/65/65/585736565.db2.gz QOONGHLDCBCGJL-IONNQARKSA-N -1 3 243.303 2.274 20 10 BECDHM CCC[C@H](C)NC(=O)c1ccc(C)c(O)c1[O-] ZINC000780862204 585785494 /nfs/dbraw/zinc/78/54/94/585785494.db2.gz IQJBKPFHSQDRLA-VIFPVBQESA-N -1 3 237.299 2.325 20 10 BECDHM CC[C@@H]1CCCN1C(=O)c1ccc(C)c(O)c1[O-] ZINC000780928174 585786662 /nfs/dbraw/zinc/78/66/62/585786662.db2.gz SJMCOHUKAWVMSP-SNVBAGLBSA-N -1 3 249.310 2.421 20 10 BECDHM Cc1ccc(C(=O)N2C[C@H](C)C[C@@H]2C)c([O-])c1O ZINC000780948830 585786979 /nfs/dbraw/zinc/78/69/79/585786979.db2.gz HPPWRKPNOFJUGI-SCZZXKLOSA-N -1 3 249.310 2.277 20 10 BECDHM Cc1ccc(C(=O)N2C[C@@H](C)C[C@H]2C)c([O-])c1O ZINC000780948832 585786988 /nfs/dbraw/zinc/78/69/88/585786988.db2.gz HPPWRKPNOFJUGI-WCBMZHEXSA-N -1 3 249.310 2.277 20 10 BECDHM Cc1ccc(C(=O)N2C[C@@H](C)C[C@@H]2C)c([O-])c1O ZINC000780948833 585787161 /nfs/dbraw/zinc/78/71/61/585787161.db2.gz HPPWRKPNOFJUGI-WPRPVWTQSA-N -1 3 249.310 2.277 20 10 BECDHM Cc1ccc(C(=O)N[C@H]2CC[C@H](C)C2)c([O-])c1O ZINC000781611395 585800314 /nfs/dbraw/zinc/80/03/14/585800314.db2.gz MZLYURGXMXGGQZ-WPRPVWTQSA-N -1 3 249.310 2.325 20 10 BECDHM C[C@H]1CC[C@@H](NC(=O)c2cc([O-])cs2)C1 ZINC000782048013 585807563 /nfs/dbraw/zinc/80/75/63/585807563.db2.gz GGZNUPBSVNUCOE-JGVFFNPUSA-N -1 3 225.313 2.372 20 10 BECDHM COC(C)(C)CCOC(=O)c1cc([O-])cs1 ZINC000787703551 585914159 /nfs/dbraw/zinc/91/41/59/585914159.db2.gz LZBPNQKIQOAMSM-UHFFFAOYSA-N -1 3 244.312 2.426 20 10 BECDHM C[C@@H]1CC[C@@H](COC(=O)c2cc([O-])cs2)O1 ZINC000789049105 585934239 /nfs/dbraw/zinc/93/42/39/585934239.db2.gz LFANTTBOYYTJTJ-APPZFPTMSA-N -1 3 242.296 2.178 20 10 BECDHM C[C@@H]1C[C@H](NC(=O)c2cc([O-])cs2)CS1 ZINC000839828890 586129195 /nfs/dbraw/zinc/12/91/95/586129195.db2.gz FHEMAILYCOXZSN-RQJHMYQMSA-N -1 3 243.353 2.078 20 10 BECDHM C[C@H]1C[C@@H](NC(=O)c2cc([O-])cs2)CS1 ZINC000839828888 586129224 /nfs/dbraw/zinc/12/92/24/586129224.db2.gz FHEMAILYCOXZSN-NKWVEPMBSA-N -1 3 243.353 2.078 20 10 BECDHM CC1=C[C@H](C)CN(C(=O)c2cccc(O)c2[O-])C1 ZINC000797778015 586131147 /nfs/dbraw/zinc/13/11/47/586131147.db2.gz JZZPBFKBNDVNTC-VIFPVBQESA-N -1 3 247.294 2.136 20 10 BECDHM C[C@@H]1CC(C)(C)CN1C(=O)c1cccc(O)c1[O-] ZINC000839878052 586168605 /nfs/dbraw/zinc/16/86/05/586168605.db2.gz XALPIGBPQCMWEW-SECBINFHSA-N -1 3 249.310 2.358 20 10 BECDHM O=C(c1cc([O-])cs1)N1CCC[C@@H]2C[C@@H]21 ZINC000807675147 586448142 /nfs/dbraw/zinc/44/81/42/586448142.db2.gz DFKJEKYTGZQBGJ-APPZFPTMSA-N -1 3 223.297 2.078 20 10 BECDHM CC[C@H](NCC(F)(F)CN)c1ccccc1[O-] ZINC000817965840 586854768 /nfs/dbraw/zinc/85/47/68/586854768.db2.gz DAHBPKGJZMDECO-JTQLQIEISA-N -1 3 244.285 2.027 20 10 BECDHM C[C@@H]1CCC[N@H+](Cc2ccccc2[O-])[C@H]1C(=O)[O-] ZINC000818631506 586908531 /nfs/dbraw/zinc/90/85/31/586908531.db2.gz HBQWWRXGYOXORQ-ZWNOBZJWSA-N -1 3 249.310 2.077 20 10 BECDHM C[C@@H]1CCC[N@@H+](Cc2ccccc2[O-])[C@H]1C(=O)[O-] ZINC000818631506 586908535 /nfs/dbraw/zinc/90/85/35/586908535.db2.gz HBQWWRXGYOXORQ-ZWNOBZJWSA-N -1 3 249.310 2.077 20 10 BECDHM CCOc1ccc(CNC(CF)CF)c([O-])c1 ZINC000824554260 587275745 /nfs/dbraw/zinc/27/57/45/587275745.db2.gz DHWPSNURPXNXJL-UHFFFAOYSA-N -1 3 245.269 2.188 20 10 BECDHM CCn1ccnc1[C@@H](C)NCc1ccccc1[O-] ZINC000825005662 587298211 /nfs/dbraw/zinc/29/82/11/587298211.db2.gz PRXWTWDJEAOPIN-LLVKDONJSA-N -1 3 245.326 2.459 20 10 BECDHM CCn1cncc1CN(C)Cc1ccccc1[O-] ZINC000841834374 587976957 /nfs/dbraw/zinc/97/69/57/587976957.db2.gz PQQLSIHOOLRQAW-UHFFFAOYSA-N -1 3 245.326 2.241 20 10 BECDHM C[C@H]1SCC[C@@H]1NC(=O)c1cc([O-])cs1 ZINC000844154347 588170878 /nfs/dbraw/zinc/17/08/78/588170878.db2.gz ZGQCKUGIYHFXKB-SVRRBLITSA-N -1 3 243.353 2.078 20 10 BECDHM O=C(NCc1cc(Cl)ccc1[O-])C1CC1 ZINC000846479074 588267268 /nfs/dbraw/zinc/26/72/68/588267268.db2.gz IDMLQABDNABANN-UHFFFAOYSA-N -1 3 225.675 2.072 20 10 BECDHM CCCN(C(=O)c1cccc(O)c1[O-])C(C)C ZINC000126246385 590260219 /nfs/dbraw/zinc/26/02/19/590260219.db2.gz PODJVXVYVMCNFR-UHFFFAOYSA-N -1 3 237.299 2.358 20 10 BECDHM Cc1nnc(CNCc2ccc(C)cc2[O-])s1 ZINC000877186274 590298588 /nfs/dbraw/zinc/29/85/88/590298588.db2.gz YQFURGJSRASIAG-UHFFFAOYSA-N -1 3 249.339 2.150 20 10 BECDHM CCCCCCNC(=O)c1cccc(O)c1[O-] ZINC000126431393 590302308 /nfs/dbraw/zinc/30/23/08/590302308.db2.gz TZEUAMSGKAQNTC-UHFFFAOYSA-N -1 3 237.299 2.408 20 10 BECDHM Cc1noc(CN(C)Cc2ccc(C)cc2[O-])n1 ZINC000877618870 590375413 /nfs/dbraw/zinc/37/54/13/590375413.db2.gz HMHIRGDPINCCPY-UHFFFAOYSA-N -1 3 247.298 2.024 20 10 BECDHM [O-]c1ccc(Cl)c(F)c1CNC1CSC1 ZINC000877634613 590380015 /nfs/dbraw/zinc/38/00/15/590380015.db2.gz NPOGGTZTGZOKHQ-UHFFFAOYSA-N -1 3 247.722 2.390 20 10 BECDHM [O-]c1c(CN2C[C@@H]3C[C@@H]3C2)ccc(F)c1F ZINC000877649618 590384559 /nfs/dbraw/zinc/38/45/59/590384559.db2.gz CJRQYZLAGDXUHE-DTORHVGOSA-N -1 3 225.238 2.122 20 10 BECDHM C[C@@H](NCc1ccn(C)n1)c1cc(F)ccc1[O-] ZINC000213179655 591454655 /nfs/dbraw/zinc/45/46/55/591454655.db2.gz YISQVZQTWCASMZ-SECBINFHSA-N -1 3 249.289 2.116 20 10 BECDHM CN(C)c1ccc(C=Cc2nccc(=O)[n-]2)cc1 ZINC000131800446 591659401 /nfs/dbraw/zinc/65/94/01/591659401.db2.gz ZXBHDBOGUDJNTB-VMPITWQZSA-N -1 3 241.294 2.006 20 10 BECDHM O=C([O-])C[C@@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000086757178 598153712 /nfs/dbraw/zinc/15/37/12/598153712.db2.gz DSCNWYVPSIVJEH-NSHDSACASA-N -1 3 249.310 2.079 20 10 BECDHM O=C([O-])C[C@@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000086757178 598153713 /nfs/dbraw/zinc/15/37/13/598153713.db2.gz DSCNWYVPSIVJEH-NSHDSACASA-N -1 3 249.310 2.079 20 10 BECDHM CC(C)[N@H+](CCC(=O)[O-])Cc1ccccc1[O-] ZINC000086748255 604788314 /nfs/dbraw/zinc/78/83/14/604788314.db2.gz WJTYOUHQBTUCDG-UHFFFAOYSA-N -1 3 237.299 2.077 20 10 BECDHM CC(C)[N@@H+](CCC(=O)[O-])Cc1ccccc1[O-] ZINC000086748255 604788317 /nfs/dbraw/zinc/78/83/17/604788317.db2.gz WJTYOUHQBTUCDG-UHFFFAOYSA-N -1 3 237.299 2.077 20 10 BECDHM CC(C)[C@H](C)C(=O)NCc1c([O-])cccc1F ZINC000928705904 636340832 /nfs/dbraw/zinc/34/08/32/636340832.db2.gz OUFZWBQBVAFKJB-VIFPVBQESA-N -1 3 239.290 2.440 20 10 BECDHM O=C(NCc1c([O-])cccc1F)[C@H]1C[C@@H]1C1CC1 ZINC000928706596 636340849 /nfs/dbraw/zinc/34/08/49/636340849.db2.gz RKLVAQUFYIRZEP-ZJUUUORDSA-N -1 3 249.285 2.194 20 10 BECDHM CN(Cc1cc(F)ccc1[O-])CC(F)F ZINC000226563492 640776043 /nfs/dbraw/zinc/77/60/43/640776043.db2.gz HAZMOVVXGJILCD-UHFFFAOYSA-N -1 3 219.206 2.228 20 10 BECDHM C[C@@H]1CCC[C@@H]1CNC(=O)c1cccc(O)c1[O-] ZINC000230688273 641087669 /nfs/dbraw/zinc/08/76/69/641087669.db2.gz TWZIFBNYQVBPCJ-NXEZZACHSA-N -1 3 249.310 2.264 20 10 BECDHM O=C(NCc1c([O-])cccc1F)OC1CCC1 ZINC000921451881 642625135 /nfs/dbraw/zinc/62/51/35/642625135.db2.gz XSBQCRLJYLURCE-UHFFFAOYSA-N -1 3 239.246 2.310 20 10 BECDHM C[C@@H]1CC[C@@H](C)N1C(=O)c1cccc(O)c1[O-] ZINC000193132974 644215952 /nfs/dbraw/zinc/21/59/52/644215952.db2.gz CWGIBEBRMXRNAN-RKDXNWHRSA-N -1 3 235.283 2.111 20 10 BECDHM C[C@@H]1CC[C@H](C)N1C(=O)c1cccc(O)c1[O-] ZINC000193132950 644216156 /nfs/dbraw/zinc/21/61/56/644216156.db2.gz CWGIBEBRMXRNAN-DTORHVGOSA-N -1 3 235.283 2.111 20 10 BECDHM C[C@@H](NC(=O)c1cccc(O)c1[O-])C1CCC1 ZINC000126559565 712631148 /nfs/dbraw/zinc/63/11/48/712631148.db2.gz TYKGDPFETCIPOD-MRVPVSSYSA-N -1 3 235.283 2.016 20 10 BECDHM CN(Cc1c([O-])ccc(F)c1F)C1CC1 ZINC001233332003 978562756 /nfs/dbraw/zinc/56/27/56/978562756.db2.gz SUDFOYFMPRAYJE-UHFFFAOYSA-N -1 3 213.227 2.265 20 10 BECDHM Cc1ccc([C@@H](C)[NH2+][C@H](C)CC(=O)[O-])c([O-])c1 ZINC001611171504 970922569 /nfs/dbraw/zinc/92/25/69/970922569.db2.gz QANVXLVQRURWPJ-NXEZZACHSA-N -1 3 237.299 2.214 20 10 BECDHM Cc1ccc([C@H](C)[NH2+][C@H](C)CC(=O)[O-])c([O-])c1 ZINC001611171507 970922771 /nfs/dbraw/zinc/92/27/71/970922771.db2.gz QANVXLVQRURWPJ-ZJUUUORDSA-N -1 3 237.299 2.214 20 10 BECDHM C[C@@H]1CN(Cc2c([O-])cccc2F)[C@H](C)CO1 ZINC001137839745 967921762 /nfs/dbraw/zinc/92/17/62/967921762.db2.gz IIVOLEHLXXYHNE-NXEZZACHSA-N -1 3 239.290 2.141 20 10 BECDHM O=C([O-])c1ccc(C[N@@H+]2C[C@H]3CC[C@@H]2C3)c([O-])c1 ZINC001231455881 977597856 /nfs/dbraw/zinc/59/78/56/977597856.db2.gz WAVULGFOQVATQV-JOYOIKCWSA-N -1 3 247.294 2.075 20 10 BECDHM O=C([O-])c1ccc(C[N@H+]2C[C@H]3CC[C@@H]2C3)c([O-])c1 ZINC001231455881 977597870 /nfs/dbraw/zinc/59/78/70/977597870.db2.gz WAVULGFOQVATQV-JOYOIKCWSA-N -1 3 247.294 2.075 20 10 BECDHM C[C@H]1CCC[N@@H+]1Cc1cc(C(=O)[O-])ccc1[O-] ZINC001231561496 977637919 /nfs/dbraw/zinc/63/79/19/977637919.db2.gz VKWRJNZUCUGIAR-VIFPVBQESA-N -1 3 235.283 2.075 20 10 BECDHM C[C@H]1CCC[N@H+]1Cc1cc(C(=O)[O-])ccc1[O-] ZINC001231561496 977637928 /nfs/dbraw/zinc/63/79/28/977637928.db2.gz VKWRJNZUCUGIAR-VIFPVBQESA-N -1 3 235.283 2.075 20 10 BECDHM Cc1ccc(C[NH2+]C2(CC(=O)[O-])CCC2)c([O-])c1 ZINC001600418373 978690910 /nfs/dbraw/zinc/69/09/10/978690910.db2.gz ARNJSLOWOOQXCV-UHFFFAOYSA-N -1 3 249.310 2.188 20 10 BECDHM C/C=C/C[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001594685983 987059849 /nfs/dbraw/zinc/05/98/49/987059849.db2.gz KHXACJWJYLBLRN-NWALNABHSA-N -1 3 235.283 2.317 20 10 BECDHM Cc1ccoc1C(=O)NCc1c([O-])cccc1F ZINC001471974835 987148989 /nfs/dbraw/zinc/14/89/89/987148989.db2.gz LNDPMHOWWOXGSX-UHFFFAOYSA-N -1 3 249.241 2.363 20 10 BECDHM C/C=C\C[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001594685985 987857401 /nfs/dbraw/zinc/85/74/01/987857401.db2.gz KHXACJWJYLBLRN-ZBJFTSOASA-N -1 3 235.283 2.317 20 10 BECDHM CC(C)(CC[N@@H+]1Cc2cccc([O-])c2C1)C(=O)[O-] ZINC001590671137 990380476 /nfs/dbraw/zinc/38/04/76/990380476.db2.gz QGOSTJCRSOESJF-UHFFFAOYSA-N -1 3 249.310 2.209 20 10 BECDHM CC(C)(CC[N@H+]1Cc2cccc([O-])c2C1)C(=O)[O-] ZINC001590671137 990380481 /nfs/dbraw/zinc/38/04/81/990380481.db2.gz QGOSTJCRSOESJF-UHFFFAOYSA-N -1 3 249.310 2.209 20 10 BECDHM [O-]c1cccc(F)c1CN1CC[C@@H](F)C1 ZINC001137833225 990853811 /nfs/dbraw/zinc/85/38/11/990853811.db2.gz XPEHYYOTFOCOMO-MRVPVSSYSA-N -1 3 213.227 2.075 20 10 BECDHM [O-]c1c(F)cccc1CN1C[C@@H]2C[C@@H]2[C@@H](F)C1 ZINC001138123811 990885910 /nfs/dbraw/zinc/88/59/10/990885910.db2.gz MXKRVSOHNAPZFB-NHCYSSNCSA-N -1 3 239.265 2.321 20 10 BECDHM CN(Cc1ccno1)Cc1cccc(F)c1[O-] ZINC001138129605 990885972 /nfs/dbraw/zinc/88/59/72/990885972.db2.gz MKJJTTBPEJOCGK-UHFFFAOYSA-N -1 3 236.246 2.151 20 10 BECDHM [O-]c1c(F)cccc1CN1C[C@@H]2C[C@@H]2[C@H](F)C1 ZINC001138123810 990887067 /nfs/dbraw/zinc/88/70/67/990887067.db2.gz MXKRVSOHNAPZFB-JBLDHEPKSA-N -1 3 239.265 2.321 20 10 BECDHM Cc1cc(=O)oc2c1ccc([O-])c2CN1CCC1 ZINC001139126565 991154510 /nfs/dbraw/zinc/15/45/10/991154510.db2.gz KSDFBRUDLZGGFN-UHFFFAOYSA-N -1 3 245.278 2.013 20 10 BECDHM [O-]c1ccc(F)cc1CN1CCCCO1 ZINC001140057695 991509873 /nfs/dbraw/zinc/50/98/73/991509873.db2.gz KJYKPHNKIUNXTM-UHFFFAOYSA-N -1 3 211.236 2.059 20 10 BECDHM [O-]c1cc(Cl)ccc1CN1CCO[C@H]2C[C@H]21 ZINC001140464635 991643404 /nfs/dbraw/zinc/64/34/04/991643404.db2.gz YEVDMBPYMDLOAQ-PWSUYJOCSA-N -1 3 239.702 2.019 20 10 BECDHM C[N@H+](Cc1ccccc1[O-])CC1(CC(=O)[O-])CC1 ZINC001598530666 992775653 /nfs/dbraw/zinc/77/56/53/992775653.db2.gz QKDCCAZVJOQDDX-UHFFFAOYSA-N -1 3 249.310 2.079 20 10 BECDHM C[N@@H+](Cc1ccccc1[O-])CC1(CC(=O)[O-])CC1 ZINC001598530666 992775661 /nfs/dbraw/zinc/77/56/61/992775661.db2.gz QKDCCAZVJOQDDX-UHFFFAOYSA-N -1 3 249.310 2.079 20 10 BECDHM C[C@H]([NH2+]CCCF)c1cc(C(=O)[O-])ccc1[O-] ZINC001593264148 994562774 /nfs/dbraw/zinc/56/27/74/994562774.db2.gz FZNRWUSXYMQBDA-QMMMGPOBSA-N -1 3 241.262 2.101 20 10 BECDHM C[C@H]([NH2+]CC1CC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001609780206 1170291218 /nfs/dbraw/zinc/29/12/18/1170291218.db2.gz TYQWGIZQPLYZJX-QMMMGPOBSA-N -1 3 235.283 2.151 20 10 BECDHM Cc1ccc(C(=O)N2C[C@H](C)[C@@H](C)C2)c([O-])c1O ZINC000272720952 178399578 /nfs/dbraw/zinc/39/95/78/178399578.db2.gz HGEKPYRKUSKLJE-UWVGGRQHSA-N -1 3 249.310 2.134 20 10 BECDHM CCC(CC)NC(=O)c1ccc(C)c(O)c1[O-] ZINC000177661445 168385510 /nfs/dbraw/zinc/38/55/10/168385510.db2.gz DLGHTOXEIVRXBI-UHFFFAOYSA-N -1 3 237.299 2.325 20 10 BECDHM CCC1(NC(=O)c2ccc(C)c(O)c2[O-])CCC1 ZINC000182553530 187309419 /nfs/dbraw/zinc/30/94/19/187309419.db2.gz UZMHMMQDOUMQQH-UHFFFAOYSA-N -1 3 249.310 2.469 20 10 BECDHM CC[C@@H]1CCC[C@@H]1NC(=O)c1cccc(O)c1[O-] ZINC000279293214 346219632 /nfs/dbraw/zinc/21/96/32/346219632.db2.gz MOBJHBAYZMIFJC-KOLCDFICSA-N -1 3 249.310 2.406 20 10 BECDHM Cc1n[nH]cc1CN[C@@H](C)c1ccc(F)cc1[O-] ZINC000062747819 188302983 /nfs/dbraw/zinc/30/29/83/188302983.db2.gz VJYNCTUNRFZYIB-VIFPVBQESA-N -1 3 249.289 2.414 20 10 BECDHM CC(C)N(Cc1cc(F)ccc1[O-])C1COC1 ZINC000296186293 188395046 /nfs/dbraw/zinc/39/50/46/188395046.db2.gz YCJMROKCTNINHX-UHFFFAOYSA-N -1 3 239.290 2.141 20 10 BECDHM CC/C=C/CNC(=O)c1ccc(C)c(O)c1[O-] ZINC000296729554 353831895 /nfs/dbraw/zinc/83/18/95/353831895.db2.gz ATWIERUNRNUEKI-SNAWJCMRSA-N -1 3 235.283 2.102 20 10 BECDHM [O-]c1cccc(F)c1CNc1ncc(F)cn1 ZINC001643209675 1172448281 /nfs/dbraw/zinc/44/82/81/1172448281.db2.gz BHNBWQBNZCMHCH-UHFFFAOYSA-N -1 3 237.209 2.073 20 10 BECDHM [O-]c1cccc(Cl)c1CN(CCO)C1CC1 ZINC000128122712 183068178 /nfs/dbraw/zinc/06/81/78/183068178.db2.gz ZONPOQQACMTFJB-UHFFFAOYSA-N -1 3 241.718 2.002 20 10 BECDHM [O-]c1ccc(F)cc1CN1CCSCC1 ZINC000179912391 183275681 /nfs/dbraw/zinc/27/56/81/183275681.db2.gz NGMPZTMVSDTHSU-UHFFFAOYSA-N -1 3 227.304 2.080 20 10 BECDHM Cc1c[nH]cc1C(=O)NCc1c([O-])cccc1F ZINC001645048365 1172631963 /nfs/dbraw/zinc/63/19/63/1172631963.db2.gz SJFBHIJOQWPRRS-UHFFFAOYSA-N -1 3 248.257 2.098 20 10 BECDHM CCCC1(CNC(=O)c2cccc(O)c2[O-])CC1 ZINC000193133690 385384392 /nfs/dbraw/zinc/38/43/92/385384392.db2.gz OWKGLPNJIJBFSH-UHFFFAOYSA-N -1 3 249.310 2.408 20 10 BECDHM Cc1ccc(C(=O)N[C@@H]2CC=CCC2)c([O-])c1O ZINC000182475338 385674227 /nfs/dbraw/zinc/67/42/27/385674227.db2.gz MQIIIOMAHWJUOZ-SNVBAGLBSA-N -1 3 247.294 2.245 20 10 BECDHM CCN(CC1CC1)C(=O)c1ccc(C)c(O)c1[O-] ZINC000182431259 385668679 /nfs/dbraw/zinc/66/86/79/385668679.db2.gz ZEARCKZGYAJHKV-UHFFFAOYSA-N -1 3 249.310 2.278 20 10 BECDHM C[C@@H](N(C)C(=O)c1cccc(O)c1[O-])C1(C)CC1 ZINC000185817642 385740522 /nfs/dbraw/zinc/74/05/22/385740522.db2.gz QBLCYUHQRVWDFM-SECBINFHSA-N -1 3 249.310 2.358 20 10 BECDHM CN(Cc1ccccc1[O-])CC(F)(F)F ZINC000096477931 385968089 /nfs/dbraw/zinc/96/80/89/385968089.db2.gz UKUNOWNRXOLKLH-UHFFFAOYSA-N -1 3 219.206 2.386 20 10 BECDHM CCC1(NC(=O)c2ccc(C)c(O)c2[O-])CC1 ZINC000296394740 386170495 /nfs/dbraw/zinc/17/04/95/386170495.db2.gz WFOLAHQOHHKCAD-UHFFFAOYSA-N -1 3 235.283 2.079 20 10 BECDHM Cc1ccc(C(=O)NCCC2(C)CC2)c([O-])c1O ZINC000279608022 386707788 /nfs/dbraw/zinc/70/77/88/386707788.db2.gz BQAULFMBQYRGIE-UHFFFAOYSA-N -1 3 249.310 2.326 20 10 BECDHM COC[C@H]1CCN1Cc1cccc(Cl)c1[O-] ZINC000293720858 386866794 /nfs/dbraw/zinc/86/67/94/386866794.db2.gz TZBZXBONVGNGFU-SNVBAGLBSA-N -1 3 241.718 2.266 20 10 BECDHM O=C(c1cccc(O)c1[O-])N1CCC2(CCC2)C1 ZINC000194023932 387814551 /nfs/dbraw/zinc/81/45/51/387814551.db2.gz YPFWLENIPHNSHW-UHFFFAOYSA-N -1 3 247.294 2.114 20 10 BECDHM CCn1ccnc1CN[C@H](C)c1ccccc1[O-] ZINC000271646750 172224061 /nfs/dbraw/zinc/22/40/61/172224061.db2.gz IEYFUZBFKVKATJ-LLVKDONJSA-N -1 3 245.326 2.459 20 10 BECDHM C=C/C=C\CC(=O)NCc1c([O-])cccc1F ZINC001652298936 1173057681 /nfs/dbraw/zinc/05/76/81/1173057681.db2.gz VQVLDGQTPDMKFF-ARJAWSKDSA-N -1 3 235.258 2.280 20 10 BECDHM C[C@@H]1[C@@H](C)CCCN1C(=O)c1cccc(O)c1[O-] ZINC000126375819 177095587 /nfs/dbraw/zinc/09/55/87/177095587.db2.gz OHFBWKWLMVUWFM-VHSXEESVSA-N -1 3 249.310 2.358 20 10 BECDHM C[C@H]1CCC[C@@H](NC(=O)c2cccc(O)c2[O-])C1 ZINC000126249556 177122522 /nfs/dbraw/zinc/12/25/22/177122522.db2.gz NOGMZBIXBAVTEU-VHSXEESVSA-N -1 3 249.310 2.406 20 10 BECDHM O=C([O-])C1(C[NH2+]Cc2ccccc2[O-])CCCC1 ZINC000854243715 588781709 /nfs/dbraw/zinc/78/17/09/588781709.db2.gz ZBMURRXPOHDPMO-UHFFFAOYSA-N -1 3 249.310 2.127 20 10 BECDHM O=C(c1cc([O-])cs1)N1C[C@@H]2CCCC[C@@H]21 ZINC000855062127 588821944 /nfs/dbraw/zinc/82/19/44/588821944.db2.gz YWEUBGCSTLUMKR-WPRPVWTQSA-N -1 3 237.324 2.468 20 10 BECDHM O=C(NCC[C@@H]1CC1(F)F)c1cc([O-])cs1 ZINC000857351090 588906783 /nfs/dbraw/zinc/90/67/83/588906783.db2.gz YNYGBPUHEMSFKS-ZCFIWIBFSA-N -1 3 247.266 2.229 20 10 BECDHM Cc1nnc(CN2Cc3cccc([O-])c3C2)s1 ZINC000895786012 583727009 /nfs/dbraw/zinc/72/70/09/583727009.db2.gz WGDJTCGQZSYMAL-UHFFFAOYSA-N -1 3 247.323 2.068 20 10 BECDHM C[C@@H]1CN(Cc2c([O-])cccc2Cl)CCO1 ZINC000132476834 583840038 /nfs/dbraw/zinc/84/00/38/583840038.db2.gz MKRMBMPMXHAITB-SECBINFHSA-N -1 3 241.718 2.266 20 10 BECDHM O=C(c1cc([O-])cs1)N1CCC=C(Cl)C1 ZINC000898193663 584096165 /nfs/dbraw/zinc/09/61/65/584096165.db2.gz RPCCHXRGRPAIID-UHFFFAOYSA-N -1 3 243.715 2.422 20 10 BECDHM O=C(NCc1ccccc1)c1cc([O-])cs1 ZINC000731864524 584929707 /nfs/dbraw/zinc/92/97/07/584929707.db2.gz ZHUTYGUWQUCOAP-UHFFFAOYSA-N -1 3 233.292 2.384 20 10 BECDHM O=C(NCc1ccsc1)c1cc([O-])cs1 ZINC000731870461 584930159 /nfs/dbraw/zinc/93/01/59/584930159.db2.gz ZNGRKQWUXZQBOX-UHFFFAOYSA-N -1 3 239.321 2.445 20 10 BECDHM Cc1cccc(CNC(=O)c2cc([O-])cs2)n1 ZINC000732273836 584935228 /nfs/dbraw/zinc/93/52/28/584935228.db2.gz KHKRSLSWCOGIHQ-UHFFFAOYSA-N -1 3 248.307 2.087 20 10 BECDHM CCOCCCCNC(=O)c1cc([O-])cs1 ZINC000732275027 584935234 /nfs/dbraw/zinc/93/52/34/584935234.db2.gz WXKKNVBZXGKGNH-UHFFFAOYSA-N -1 3 243.328 2.000 20 10 BECDHM O=C(c1cc([O-])cs1)N1CCCSCC1 ZINC000732272104 584935382 /nfs/dbraw/zinc/93/53/82/584935382.db2.gz HMDDRUGFAQNHEI-UHFFFAOYSA-N -1 3 243.353 2.033 20 10 BECDHM CC(C)[C@@H](C)CNC(=O)c1cc([O-])cs1 ZINC000740128241 585094407 /nfs/dbraw/zinc/09/44/07/585094407.db2.gz MKINGRDTTHFTEU-QMMMGPOBSA-N -1 3 227.329 2.476 20 10 BECDHM O=C(OCc1nccs1)c1cc([O-])cs1 ZINC000747055111 585174583 /nfs/dbraw/zinc/17/45/83/585174583.db2.gz QGWIWQJIMZQCAV-UHFFFAOYSA-N -1 3 241.293 2.267 20 10 BECDHM O=C(Nc1ccc(F)cn1)c1cc([O-])cs1 ZINC000748298669 585190313 /nfs/dbraw/zinc/19/03/13/585190313.db2.gz XGLDEVKLCUVEQN-UHFFFAOYSA-N -1 3 238.243 2.240 20 10 BECDHM C[C@H]1CCN(C(=O)c2cc([O-])cs2)[C@H]1C ZINC000752821643 585250639 /nfs/dbraw/zinc/25/06/39/585250639.db2.gz ZEWXGSYDIAHHRL-YUMQZZPRSA-N -1 3 225.313 2.324 20 10 BECDHM CC[C@@H]1CCN(C(=O)c2cc([O-])cs2)C1 ZINC000755863497 585308991 /nfs/dbraw/zinc/30/89/91/585308991.db2.gz BXEIGDWSGVAPNG-MRVPVSSYSA-N -1 3 225.313 2.326 20 10 BECDHM CN(C(=O)c1cc([O-])cs1)[C@H]1CCSC1 ZINC000756810702 585323534 /nfs/dbraw/zinc/32/35/34/585323534.db2.gz NKDFFVFOEPLZOR-ZETCQYMHSA-N -1 3 243.353 2.031 20 10 BECDHM O=C(c1cc([O-])cs1)N1CCC2(CCC2)C1 ZINC000759099048 585364079 /nfs/dbraw/zinc/36/40/79/585364079.db2.gz HUKUZMXEMKOPNT-UHFFFAOYSA-N -1 3 237.324 2.470 20 10 BECDHM CC(=O)c1nc(-c2ccc(O)c([O-])c2)cs1 ZINC000775597348 585680912 /nfs/dbraw/zinc/68/09/12/585680912.db2.gz NZJMYZHOARROIA-UHFFFAOYSA-N -1 3 235.264 2.424 20 10 BECDHM Cc1ccc(C(=O)NC[C@H]2CC2(C)C)c([O-])c1O ZINC000780941577 585786711 /nfs/dbraw/zinc/78/67/11/585786711.db2.gz XURGMBTWZORSIQ-SECBINFHSA-N -1 3 249.310 2.182 20 10 BECDHM CCN(C(=O)c1ccc(C)c(O)c1[O-])C1CCC1 ZINC000780947711 585786993 /nfs/dbraw/zinc/78/69/93/585786993.db2.gz NKYUMGHKUICFNA-UHFFFAOYSA-N -1 3 249.310 2.421 20 10 BECDHM C[C@H]1C[C@@H](O)CN1Cc1cccc(Cl)c1[O-] ZINC000788269061 585919799 /nfs/dbraw/zinc/91/97/99/585919799.db2.gz LBZLIBOVSRGFRV-WCBMZHEXSA-N -1 3 241.718 2.001 20 10 BECDHM CC1=C[C@@H](C)CN(C(=O)c2cccc(O)c2[O-])C1 ZINC000797778012 586131160 /nfs/dbraw/zinc/13/11/60/586131160.db2.gz JZZPBFKBNDVNTC-SECBINFHSA-N -1 3 247.294 2.136 20 10 BECDHM CSCCCN(C)C(=O)c1cc([O-])cs1 ZINC000799198753 586167341 /nfs/dbraw/zinc/16/73/41/586167341.db2.gz LBCMLVUQGJEYJI-UHFFFAOYSA-N -1 3 245.369 2.279 20 10 BECDHM C[C@@H]1C[C@@H]1COC(=O)c1cc([O-])cs1 ZINC000859552671 589044209 /nfs/dbraw/zinc/04/42/09/589044209.db2.gz IFWJNGNHSRZMAK-RNFRBKRXSA-N -1 3 212.270 2.267 20 10 BECDHM CN(CCF)Cc1c([O-])cccc1Cl ZINC000816639040 586747006 /nfs/dbraw/zinc/74/70/06/586747006.db2.gz FTLPRALNOZXOSV-UHFFFAOYSA-N -1 3 217.671 2.447 20 10 BECDHM CN(CCF)Cc1cc(Cl)ccc1[O-] ZINC000816640588 586748202 /nfs/dbraw/zinc/74/82/02/586748202.db2.gz OUNUYFLCUJPNPN-UHFFFAOYSA-N -1 3 217.671 2.447 20 10 BECDHM CC(F)(F)CCNC(=O)c1cc([O-])cs1 ZINC000833078540 587699766 /nfs/dbraw/zinc/69/97/66/587699766.db2.gz KRDXGYRFDORCAH-UHFFFAOYSA-N -1 3 235.255 2.229 20 10 BECDHM O=C(Nc1n[nH]cc1C1CC1)c1cc([O-])cs1 ZINC000844145691 588170527 /nfs/dbraw/zinc/17/05/27/588170527.db2.gz BYXYTAFNZWPRPL-UHFFFAOYSA-N -1 3 249.295 2.307 20 10 BECDHM CC(C)NC(=O)NCc1cc(Cl)ccc1[O-] ZINC000844282403 588180294 /nfs/dbraw/zinc/18/02/94/588180294.db2.gz VNNQPZMAAIEVTN-UHFFFAOYSA-N -1 3 242.706 2.253 20 10 BECDHM Cc1cccc(C[N@H+](CC(=O)[O-])C2CCC2)c1[O-] ZINC000848640981 588403157 /nfs/dbraw/zinc/40/31/57/588403157.db2.gz XKSGEPXUGWDMGF-UHFFFAOYSA-N -1 3 249.310 2.140 20 10 BECDHM Cc1cccc(C[N@@H+](CC(=O)[O-])C2CCC2)c1[O-] ZINC000848640981 588403159 /nfs/dbraw/zinc/40/31/59/588403159.db2.gz XKSGEPXUGWDMGF-UHFFFAOYSA-N -1 3 249.310 2.140 20 10 BECDHM CCC(F)(F)CNC(=O)c1cc([O-])cs1 ZINC000862899337 589246287 /nfs/dbraw/zinc/24/62/87/589246287.db2.gz HHFKWUITZQCXIO-UHFFFAOYSA-N -1 3 235.255 2.229 20 10 BECDHM C[C@@H]1OCC[C@@H]1COC(=O)c1cc([O-])cs1 ZINC000869394819 589603513 /nfs/dbraw/zinc/60/35/13/589603513.db2.gz WBBOZIZBTBMHJS-JGVFFNPUSA-N -1 3 242.296 2.036 20 10 BECDHM CC[C@H](C)N(CC)C(=O)c1cccc(O)c1[O-] ZINC000126247312 590260464 /nfs/dbraw/zinc/26/04/64/590260464.db2.gz HAPNQXZOGIDYJJ-VIFPVBQESA-N -1 3 237.299 2.358 20 10 BECDHM Cc1ccncc1NC(=O)c1cccc(O)c1[O-] ZINC000126409883 590301311 /nfs/dbraw/zinc/30/13/11/590301311.db2.gz YOQYSTYJVHGMPY-UHFFFAOYSA-N -1 3 244.250 2.054 20 10 BECDHM Cc1ccc(CNCC(C)(F)F)c([O-])c1 ZINC000877552378 590355675 /nfs/dbraw/zinc/35/56/75/590355675.db2.gz SCTFFJSHDDRHPI-UHFFFAOYSA-N -1 3 215.243 2.445 20 10 BECDHM CC1(NCc2cc(Cl)c(F)cc2[O-])COC1 ZINC000877690951 590392562 /nfs/dbraw/zinc/39/25/62/590392562.db2.gz HBJZXPZBEGJLGH-UHFFFAOYSA-N -1 3 245.681 2.063 20 10 BECDHM Cc1ccc(CN2Cc3cccc([O-])c3C2)nn1 ZINC000877702816 590395856 /nfs/dbraw/zinc/39/58/56/590395856.db2.gz ISYHWHUFWAHBIV-UHFFFAOYSA-N -1 3 241.294 2.006 20 10 BECDHM CCn1ccnc1CN1Cc2cccc([O-])c2C1 ZINC000877703584 590397055 /nfs/dbraw/zinc/39/70/55/590397055.db2.gz PQJXYJODYVVZFY-UHFFFAOYSA-N -1 3 243.310 2.124 20 10 BECDHM Cn1cccc1CN1Cc2cccc([O-])c2C1 ZINC000877703558 590397449 /nfs/dbraw/zinc/39/74/49/590397449.db2.gz OJYQRUIADPBBBM-UHFFFAOYSA-N -1 3 228.295 2.247 20 10 BECDHM Cc1cnc(CN[C@H](C)c2ccccc2[O-])nc1 ZINC000879649023 590842453 /nfs/dbraw/zinc/84/24/53/590842453.db2.gz HWTQCPWPLLKIAX-LLVKDONJSA-N -1 3 243.310 2.341 20 10 BECDHM Cc1nc([C@@H](C)N[C@@H](C)c2ccccc2[O-])no1 ZINC000879650600 590843640 /nfs/dbraw/zinc/84/36/40/590843640.db2.gz ITZXQCWZPALDQB-DTWKUNHWSA-N -1 3 247.298 2.495 20 10 BECDHM [O-]c1cccc(Cl)c1CN1CCC[C@@H](O)C1 ZINC000127988666 590864568 /nfs/dbraw/zinc/86/45/68/590864568.db2.gz JPVYURLZZLFOOO-SECBINFHSA-N -1 3 241.718 2.002 20 10 BECDHM C[C@H](NCc1cnn(C)c1)c1c([O-])cccc1F ZINC000886510025 592240150 /nfs/dbraw/zinc/24/01/50/592240150.db2.gz PTFIZHKWEPJREP-VIFPVBQESA-N -1 3 249.289 2.116 20 10 BECDHM O=C(Nc1ccnn1C1CC1)c1cc([O-])cs1 ZINC000889686488 592644929 /nfs/dbraw/zinc/64/49/29/592644929.db2.gz XMCIAGXMFRIONG-UHFFFAOYSA-N -1 3 249.295 2.237 20 10 BECDHM C[C@@H]([NH2+]CCCCC(=O)[O-])c1ccccc1[O-] ZINC000820142019 597733821 /nfs/dbraw/zinc/73/38/21/597733821.db2.gz MLTNZCYOGIWMEG-SNVBAGLBSA-N -1 3 237.299 2.298 20 10 BECDHM CCN(CC1CCC1)C(=O)c1cccc(O)c1[O-] ZINC000230319220 635484232 /nfs/dbraw/zinc/48/42/32/635484232.db2.gz AJQSYPSLAOURRB-UHFFFAOYSA-N -1 3 249.310 2.360 20 10 BECDHM CCC[C@H](C)NC(=O)c1cccc(O)c1[O-] ZINC000163267950 636346419 /nfs/dbraw/zinc/34/64/19/636346419.db2.gz CPXAKYAHYISHGV-QMMMGPOBSA-N -1 3 223.272 2.016 20 10 BECDHM O=C(N[C@@H]1CCCC12CC2)c1cccc(O)c1[O-] ZINC000706242347 712142040 /nfs/dbraw/zinc/14/20/40/712142040.db2.gz IRSQUPOOHJGAOV-LLVKDONJSA-N -1 3 247.294 2.160 20 10 BECDHM C[C@@H](CF)NCc1cc(F)cc(F)c1[O-] ZINC000708393317 712191722 /nfs/dbraw/zinc/19/17/22/712191722.db2.gz CPLWUCFCZOVMAS-LURJTMIESA-N -1 3 219.206 2.118 20 10 BECDHM CC1(C)CC[C@@H](NC(=O)c2cccc(O)c2[O-])C1 ZINC000132945803 712639605 /nfs/dbraw/zinc/63/96/05/712639605.db2.gz MFOAFLJWRDCBTJ-SECBINFHSA-N -1 3 249.310 2.406 20 10 BECDHM CSCCN(C)Cc1c([O-])cc(F)cc1F ZINC001140585319 960445314 /nfs/dbraw/zinc/44/53/14/960445314.db2.gz FIZIUFIUXBVFPN-UHFFFAOYSA-N -1 3 247.310 2.465 20 10 BECDHM [O-]c1cc(F)c(F)cc1CN1CCSCC1 ZINC001142512495 961468745 /nfs/dbraw/zinc/46/87/45/961468745.db2.gz ARDFHBXPAZBWPK-UHFFFAOYSA-N -1 3 245.294 2.219 20 10 BECDHM CCN(CCOC)Cc1c([O-])ccc(F)c1F ZINC001233331626 978561626 /nfs/dbraw/zinc/56/16/26/978561626.db2.gz DOGHLPSLPRDREJ-UHFFFAOYSA-N -1 3 245.269 2.139 20 10 BECDHM CC[C@@H]1C[C@@H](C)CN1C(=O)c1cccc(O)c1[O-] ZINC000399645269 1169260124 /nfs/dbraw/zinc/26/01/24/1169260124.db2.gz HZNMAJDKCOOKNN-NXEZZACHSA-N -1 3 249.310 2.358 20 10 BECDHM [O-]c1ccc(Cl)cc1CN1CCC12COC2 ZINC001203656982 966713585 /nfs/dbraw/zinc/71/35/85/966713585.db2.gz AYRKUECXZYAAHH-UHFFFAOYSA-N -1 3 239.702 2.020 20 10 BECDHM C=Cn1cc(CNCc2c([O-])cccc2F)cn1 ZINC001207622986 968841334 /nfs/dbraw/zinc/84/13/34/968841334.db2.gz RFHBWBAHHHMSPM-UHFFFAOYSA-N -1 3 247.273 2.118 20 10 BECDHM C[C@@H](CC(=O)[O-])[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC001609888537 970587318 /nfs/dbraw/zinc/58/73/18/970587318.db2.gz MWGXGEVHMJMNGI-YUMQZZPRSA-N -1 3 241.262 2.045 20 10 BECDHM CC(C)N(C(=O)c1cccc(O)c1[O-])C(C)C ZINC001148212902 973811678 /nfs/dbraw/zinc/81/16/78/973811678.db2.gz NKJVXZMRLRFPCX-UHFFFAOYSA-N -1 3 237.299 2.357 20 10 BECDHM CC1(C)CCC[N@@H+]1Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231446829 977591960 /nfs/dbraw/zinc/59/19/60/977591960.db2.gz LHNYTBSHEBQWLL-UHFFFAOYSA-N -1 3 249.310 2.465 20 10 BECDHM CC1(C)CCC[N@H+]1Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231446829 977591967 /nfs/dbraw/zinc/59/19/67/977591967.db2.gz LHNYTBSHEBQWLL-UHFFFAOYSA-N -1 3 249.310 2.465 20 10 BECDHM CC[C@@H]1CC[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231453684 977599597 /nfs/dbraw/zinc/59/95/97/977599597.db2.gz OOINZMXWINJHNF-SNVBAGLBSA-N -1 3 249.310 2.322 20 10 BECDHM CC[C@@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231453684 977599606 /nfs/dbraw/zinc/59/96/06/977599606.db2.gz OOINZMXWINJHNF-SNVBAGLBSA-N -1 3 249.310 2.322 20 10 BECDHM CCCC[N@H+](C)Cc1cc(C(=O)[O-])ccc1[O-] ZINC001231561482 977638244 /nfs/dbraw/zinc/63/82/44/977638244.db2.gz VEQRKNDUHDXCSY-UHFFFAOYSA-N -1 3 237.299 2.322 20 10 BECDHM CCCC[N@@H+](C)Cc1cc(C(=O)[O-])ccc1[O-] ZINC001231561482 977638249 /nfs/dbraw/zinc/63/82/49/977638249.db2.gz VEQRKNDUHDXCSY-UHFFFAOYSA-N -1 3 237.299 2.322 20 10 BECDHM CCN(C)Cc1c([O-])ccc(F)c1F ZINC001233331568 978562728 /nfs/dbraw/zinc/56/27/28/978562728.db2.gz BRQDHJWBOIOGTJ-UHFFFAOYSA-N -1 3 201.216 2.122 20 10 BECDHM [O-]c1cc(Cl)ccc1CNC(CF)CF ZINC001181971284 979404846 /nfs/dbraw/zinc/40/48/46/979404846.db2.gz KFYNGGXSHCJJRF-UHFFFAOYSA-N -1 3 235.661 2.443 20 10 BECDHM CN(Cc1cc(Cl)ccc1[O-])C1(C)COC1 ZINC001203663956 980532380 /nfs/dbraw/zinc/53/23/80/980532380.db2.gz IAXBQUGGACENIM-UHFFFAOYSA-N -1 3 241.718 2.266 20 10 BECDHM [O-]c1cccc(F)c1CN1CCSCC1 ZINC001137833175 990855343 /nfs/dbraw/zinc/85/53/43/990855343.db2.gz WBRVMEXGPIAFAK-UHFFFAOYSA-N -1 3 227.304 2.080 20 10 BECDHM [O-]c1cccc(F)c1CN1CCC[C@H](F)C1 ZINC001137837360 990856682 /nfs/dbraw/zinc/85/66/82/990856682.db2.gz CSMAOHHVPCOMNI-VIFPVBQESA-N -1 3 227.254 2.465 20 10 BECDHM CS/C=C\C(=O)NCc1c([O-])cccc1F ZINC001558454696 990946362 /nfs/dbraw/zinc/94/63/62/990946362.db2.gz KBYKBHFHYXYGEO-WAYWQWQTSA-N -1 3 241.287 2.024 20 10 BECDHM CCCOC1CN(Cc2cc(F)ccc2[O-])C1 ZINC001140055315 991509153 /nfs/dbraw/zinc/50/91/53/991509153.db2.gz RBEPYIQAVQORDD-UHFFFAOYSA-N -1 3 239.290 2.142 20 10 BECDHM [O-]c1ccc(F)cc1CN1Cc2ccncc2C1 ZINC001140055370 991511603 /nfs/dbraw/zinc/51/16/03/991511603.db2.gz TTZPOUBEINGXPH-UHFFFAOYSA-N -1 3 244.269 2.442 20 10 BECDHM O=C1CCN(Cc2ccc(Cl)cc2[O-])CC1 ZINC001140461198 991643614 /nfs/dbraw/zinc/64/36/14/991643614.db2.gz GXNCKJNUDDCMEZ-UHFFFAOYSA-N -1 3 239.702 2.211 20 10 BECDHM C[C@@H]1COCCN1Cc1ccc(Cl)cc1[O-] ZINC001140461611 991643993 /nfs/dbraw/zinc/64/39/93/991643993.db2.gz NOFJCLCWSFLZHV-SECBINFHSA-N -1 3 241.718 2.266 20 10 BECDHM CCc1nccc(NCc2c([O-])cccc2F)n1 ZINC001307214898 994826915 /nfs/dbraw/zinc/82/69/15/994826915.db2.gz XWLYHGWDLAKXAI-UHFFFAOYSA-N -1 3 247.273 2.496 20 10 BECDHM C/C(Cl)=C/C(=O)NCc1c([O-])cccc1F ZINC001303876053 995176697 /nfs/dbraw/zinc/17/66/97/995176697.db2.gz TVRIEPDMDYWACU-ALCCZGGFSA-N -1 3 243.665 2.290 20 10 BECDHM C[C@H]([NH2+]C[C@@H]1C[C@@H]1C)c1cc(C(=O)[O-])ccc1[O-] ZINC001609779175 1170288861 /nfs/dbraw/zinc/28/88/61/1170288861.db2.gz OWUGGSIWBADCGZ-QXEWZRGKSA-N -1 3 249.310 2.397 20 10 BECDHM CC[C@H]1CCN1C(=O)c1ccc(C)c(O)c1[O-] ZINC000293939158 187349977 /nfs/dbraw/zinc/34/99/77/187349977.db2.gz IGQOOUCYCGVXHZ-VIFPVBQESA-N -1 3 235.283 2.031 20 10 BECDHM [O-]c1ccc(Cl)cc1CN1CCC(O)CC1 ZINC000128060609 343787697 /nfs/dbraw/zinc/78/76/97/343787697.db2.gz WPFCPYRIIYFZBD-UHFFFAOYSA-N -1 3 241.718 2.002 20 10 BECDHM CC1(C)COCCN1Cc1cc(F)ccc1[O-] ZINC000179971913 347006270 /nfs/dbraw/zinc/00/62/70/347006270.db2.gz IFLOLGLFXNAPPA-UHFFFAOYSA-N -1 3 239.290 2.142 20 10 BECDHM CC1(C)CCC[C@@H]1NC(=O)c1cccc(O)c1[O-] ZINC000126478454 345120915 /nfs/dbraw/zinc/12/09/15/345120915.db2.gz MKRXGESBTBRWLS-NSHDSACASA-N -1 3 249.310 2.406 20 10 BECDHM CC(C)C[C@@H](C)NC(=O)c1cccc(O)c1[O-] ZINC000126250091 191083219 /nfs/dbraw/zinc/08/32/19/191083219.db2.gz GZLAGXTXDKJYCB-SECBINFHSA-N -1 3 237.299 2.262 20 10 BECDHM [O-]c1ccc(Br)cc1CN1CCC1 ZINC000307701913 353004468 /nfs/dbraw/zinc/00/44/68/353004468.db2.gz SUXVTNLZAYYJDH-UHFFFAOYSA-N -1 3 242.116 2.360 20 10 BECDHM [O-]c1ccc(Cl)cc1CN1CCCOCC1 ZINC000132725237 358734374 /nfs/dbraw/zinc/73/43/74/358734374.db2.gz ZYWDKYCMKKJFLD-UHFFFAOYSA-N -1 3 241.718 2.268 20 10 BECDHM O=C(NCc1cccs1)c1cccc(O)c1[O-] ZINC000072111414 182264885 /nfs/dbraw/zinc/26/48/85/182264885.db2.gz NODYNALMEDTXPD-UHFFFAOYSA-N -1 3 249.291 2.089 20 10 BECDHM [O-]c1ccc(Cl)cc1CNCc1cc[nH]n1 ZINC000041014235 183272751 /nfs/dbraw/zinc/27/27/51/183272751.db2.gz AGRVNSIDKBFTQO-UHFFFAOYSA-N -1 3 237.690 2.059 20 10 BECDHM CCC[C@@H](C)N(C)C(=O)c1cccc(O)c1[O-] ZINC000126263971 169363855 /nfs/dbraw/zinc/36/38/55/169363855.db2.gz STXATIAZYMCWRT-SECBINFHSA-N -1 3 237.299 2.358 20 10 BECDHM CN(Cc1cccc(F)c1[O-])C[C@H]1CCCO1 ZINC000160213111 384392782 /nfs/dbraw/zinc/39/27/82/384392782.db2.gz ZNOLIBPQXNKUSH-LLVKDONJSA-N -1 3 239.290 2.142 20 10 BECDHM CN(Cc1cccc(Cl)c1[O-])[C@H]1CCOC1 ZINC000162818306 384694250 /nfs/dbraw/zinc/69/42/50/384694250.db2.gz OBSHHSHJLVQNNC-JTQLQIEISA-N -1 3 241.718 2.266 20 10 BECDHM Cc1n[nH]cc1CN[C@H](C)c1ccc(F)cc1[O-] ZINC000062747820 385186618 /nfs/dbraw/zinc/18/66/18/385186618.db2.gz VJYNCTUNRFZYIB-SECBINFHSA-N -1 3 249.289 2.414 20 10 BECDHM CO[C@H]1CCN(Cc2cccc(Cl)c2[O-])C1 ZINC000234901016 386114868 /nfs/dbraw/zinc/11/48/68/386114868.db2.gz UDBCZDMUHGKUKG-JTQLQIEISA-N -1 3 241.718 2.266 20 10 BECDHM C[C@H](CF)NCc1cccc(Cl)c1[O-] ZINC000289223810 388351419 /nfs/dbraw/zinc/35/14/19/388351419.db2.gz AGDGCXKMXWPWQG-SSDOTTSWSA-N -1 3 217.671 2.493 20 10 BECDHM CCn1cc(CNCc2cccc(F)c2[O-])cn1 ZINC000272240950 172172746 /nfs/dbraw/zinc/17/27/46/172172746.db2.gz AQROHABESWYLRL-UHFFFAOYSA-N -1 3 249.289 2.038 20 10 BECDHM CCn1cc(NCc2cc(F)ccc2[O-])cn1 ZINC000226618043 172186004 /nfs/dbraw/zinc/18/60/04/172186004.db2.gz KYJREKAJKDUWLE-UHFFFAOYSA-N -1 3 235.262 2.360 20 10 BECDHM CCn1nccc1CN(C)Cc1ccccc1[O-] ZINC000120051111 172264037 /nfs/dbraw/zinc/26/40/37/172264037.db2.gz QWFPRJJKNLZQJU-UHFFFAOYSA-N -1 3 245.326 2.241 20 10 BECDHM C[C@@H]1CN(Cc2cc(F)ccc2[O-])[C@H](C)CO1 ZINC000179938608 176301958 /nfs/dbraw/zinc/30/19/58/176301958.db2.gz SVKCQKLDCKVIQI-NXEZZACHSA-N -1 3 239.290 2.141 20 10 BECDHM C[C@@H]1CN(Cc2cccc(F)c2[O-])C[C@@H](C)O1 ZINC000160198583 176305662 /nfs/dbraw/zinc/30/56/62/176305662.db2.gz TYWHBDQQVFTAQC-NXEZZACHSA-N -1 3 239.290 2.141 20 10 BECDHM C[C@H]1CCC[C@@H]1NC(=O)c1cccc(O)c1[O-] ZINC000126407569 177126109 /nfs/dbraw/zinc/12/61/09/177126109.db2.gz HLZMZSHJOVYCDE-WPRPVWTQSA-N -1 3 235.283 2.016 20 10 BECDHM C[C@H]1CCN(C(=O)c2cccc(O)c2[O-])C[C@H]1C ZINC000126564246 177154946 /nfs/dbraw/zinc/15/49/46/177154946.db2.gz LYYRGGKLQHJJSJ-VHSXEESVSA-N -1 3 249.310 2.216 20 10 BECDHM C[C@H]1CN(Cc2cc(F)ccc2[O-])C[C@H](C)O1 ZINC000183250406 177260148 /nfs/dbraw/zinc/26/01/48/177260148.db2.gz QLBUXWOMDMSOBN-UWVGGRQHSA-N -1 3 239.290 2.141 20 10 BECDHM C[C@@H]1CN(Cc2cc(F)ccc2[O-])C[C@H](C)O1 ZINC000180908123 177260949 /nfs/dbraw/zinc/26/09/49/177260949.db2.gz QLBUXWOMDMSOBN-AOOOYVTPSA-N -1 3 239.290 2.141 20 10 BECDHM C[C@@H]1CCN(C(=O)c2cccc(O)c2[O-])[C@@H](C)C1 ZINC000126380698 177354799 /nfs/dbraw/zinc/35/47/99/177354799.db2.gz RYGHBIPRGQDEFB-ZJUUUORDSA-N -1 3 249.310 2.358 20 10 BECDHM Cc1cccc([O-])c1CN(C)CC(F)F ZINC000876640399 590225227 /nfs/dbraw/zinc/22/52/27/590225227.db2.gz SYIAHFPCGYXWHI-UHFFFAOYSA-N -1 3 215.243 2.398 20 10 BECDHM COc1cc(Cl)cc(CN(C)CCF)c1[O-] ZINC000293792286 488017405 /nfs/dbraw/zinc/01/74/05/488017405.db2.gz ZYYHLNSJSQUXPR-UHFFFAOYSA-N -1 3 247.697 2.456 20 10 BECDHM Cc1cccc([O-])c1CNC(CF)CF ZINC000877555893 583327694 /nfs/dbraw/zinc/32/76/94/583327694.db2.gz GGZILPDMNSTQFJ-UHFFFAOYSA-N -1 3 215.243 2.098 20 10 BECDHM Cc1cccc(C[NH2+]CC2(C(=O)[O-])CCC2)c1[O-] ZINC000854244394 588781796 /nfs/dbraw/zinc/78/17/96/588781796.db2.gz DAHFQZIKOXBKIH-UHFFFAOYSA-N -1 3 249.310 2.045 20 10 BECDHM Cc1ccc(C(=O)N2CC3CC2(C)C3)c([O-])c1O ZINC000856511403 588874280 /nfs/dbraw/zinc/87/42/80/588874280.db2.gz XZCXWVJGFKMUJH-UHFFFAOYSA-N -1 3 247.294 2.031 20 10 BECDHM Cc1nocc1CNCc1c([O-])cccc1F ZINC000896638334 583819742 /nfs/dbraw/zinc/81/97/42/583819742.db2.gz OYCIXHRPNJYINO-UHFFFAOYSA-N -1 3 236.246 2.118 20 10 BECDHM C[C@@H](NCc1cn(C)cn1)c1cc(F)ccc1[O-] ZINC000903351359 584755501 /nfs/dbraw/zinc/75/55/01/584755501.db2.gz KAXNWHAPGWXKQW-SECBINFHSA-N -1 3 249.289 2.116 20 10 BECDHM O=C(Nc1nccs1)c1cc([O-])cs1 ZINC000731864131 584929667 /nfs/dbraw/zinc/92/96/67/584929667.db2.gz QFROYKMORJGHQZ-UHFFFAOYSA-N -1 3 226.282 2.163 20 10 BECDHM Cc1ncc(CN(C)Cc2ccccc2[O-])cn1 ZINC000732202843 584934546 /nfs/dbraw/zinc/93/45/46/584934546.db2.gz GUICXRBYWCHMHO-UHFFFAOYSA-N -1 3 243.310 2.123 20 10 BECDHM CN(Cc1cccnc1)C(=O)c1cc([O-])cs1 ZINC000732264170 584935063 /nfs/dbraw/zinc/93/50/63/584935063.db2.gz CCQGOVYJIFOHTI-UHFFFAOYSA-N -1 3 248.307 2.121 20 10 BECDHM O=C(Nc1cc(C2CC2)[nH]n1)c1cc([O-])cs1 ZINC000732277360 584935605 /nfs/dbraw/zinc/93/56/05/584935605.db2.gz HMXNLNMLOXNROV-UHFFFAOYSA-N -1 3 249.295 2.307 20 10 BECDHM O=C(N[C@H]1CC=CCC1)c1cc([O-])cs1 ZINC000736710692 585010189 /nfs/dbraw/zinc/01/01/89/585010189.db2.gz JRPNUUIVYVPVDD-QMMMGPOBSA-N -1 3 223.297 2.292 20 10 BECDHM [O-]c1ccc(F)cc1CN1CC(C(F)F)C1 ZINC000839141668 585094289 /nfs/dbraw/zinc/09/42/89/585094289.db2.gz VVCKSMQZYUOENU-UHFFFAOYSA-N -1 3 231.217 2.228 20 10 BECDHM CCN(C(=O)c1cc([O-])cs1)C1CCC1 ZINC000748319384 585190777 /nfs/dbraw/zinc/19/07/77/585190777.db2.gz ARRJZZHRKPCTQR-UHFFFAOYSA-N -1 3 225.313 2.468 20 10 BECDHM C[C@@H]1CC[C@H](C)N1C(=O)c1cc([O-])cs1 ZINC000758345640 585354365 /nfs/dbraw/zinc/35/43/65/585354365.db2.gz MBYNSGAISSNTOF-OCAPTIKFSA-N -1 3 225.313 2.467 20 10 BECDHM C[C@H](NC(=O)c1cc([O-])cs1)c1ccc[nH]1 ZINC000760956809 585402532 /nfs/dbraw/zinc/40/25/32/585402532.db2.gz DQGOWTQIVZZCFP-ZETCQYMHSA-N -1 3 236.296 2.273 20 10 BECDHM O=C(N[C@@H]1CCC[C@@H]2C[C@@H]21)c1cc([O-])cs1 ZINC000839798198 585489777 /nfs/dbraw/zinc/48/97/77/585489777.db2.gz RXVNLKQNIQUWIH-FKTZTGRPSA-N -1 3 237.324 2.372 20 10 BECDHM CC[C@@H](CSC)NC(=O)c1cc([O-])cs1 ZINC000775617950 585681633 /nfs/dbraw/zinc/68/16/33/585681633.db2.gz NYPWVGSTSFFMKK-ZETCQYMHSA-N -1 3 245.369 2.325 20 10 BECDHM O=C(OCCCCCCO)c1cc([O-])cs1 ZINC000776386893 585697170 /nfs/dbraw/zinc/69/71/70/585697170.db2.gz XDCDZSLGIKLQDJ-UHFFFAOYSA-N -1 3 244.312 2.163 20 10 BECDHM C[C@@H]1CCN(C(=O)c2cc([O-])cs2)C[C@@H]1F ZINC000778518319 585736470 /nfs/dbraw/zinc/73/64/70/585736470.db2.gz QOONGHLDCBCGJL-APPZFPTMSA-N -1 3 243.303 2.274 20 10 BECDHM CCC[C@@H](C)NC(=O)c1ccc(C)c(O)c1[O-] ZINC000780862203 585785665 /nfs/dbraw/zinc/78/56/65/585785665.db2.gz IQJBKPFHSQDRLA-SECBINFHSA-N -1 3 237.299 2.325 20 10 BECDHM Cc1ccc(C(=O)N2CC[C@@H]2C(C)C)c([O-])c1O ZINC000781018525 585788640 /nfs/dbraw/zinc/78/86/40/585788640.db2.gz XWWJCVGEQLNCGN-LLVKDONJSA-N -1 3 249.310 2.277 20 10 BECDHM Cc1ccc(C(=O)N[C@@H]2CC[C@H](C)C2)c([O-])c1O ZINC000781611394 585800379 /nfs/dbraw/zinc/80/03/79/585800379.db2.gz MZLYURGXMXGGQZ-WCBMZHEXSA-N -1 3 249.310 2.325 20 10 BECDHM C[C@@H]1CC[C@H](NC(=O)c2cc([O-])cs2)C1 ZINC000782048014 585807373 /nfs/dbraw/zinc/80/73/73/585807373.db2.gz GGZNUPBSVNUCOE-SFYZADRCSA-N -1 3 225.313 2.372 20 10 BECDHM O=C(OCC[C@@H]1CCCO1)c1cc([O-])cs1 ZINC000787704214 585914291 /nfs/dbraw/zinc/91/42/91/585914291.db2.gz PXBVFXFIDYVBSF-VIFPVBQESA-N -1 3 242.296 2.180 20 10 BECDHM C[C@@H]1C[C@H](C)N1C(=O)c1cc([O-])cs1 ZINC000792672022 586003939 /nfs/dbraw/zinc/00/39/39/586003939.db2.gz CAXYFNZHDZAWNZ-KNVOCYPGSA-N -1 3 211.286 2.077 20 10 BECDHM CC[C@@H](NCc1cc[nH]n1)c1ccc(F)cc1[O-] ZINC000796756917 586111670 /nfs/dbraw/zinc/11/16/70/586111670.db2.gz ZFJOWAKEVNCFPC-GFCCVEGCSA-N -1 3 249.289 2.495 20 10 BECDHM O=C(N[C@@H]1CCCC[C@H]1F)c1cc([O-])cs1 ZINC000839847816 586136717 /nfs/dbraw/zinc/13/67/17/586136717.db2.gz FVJSAMGTEKGCHJ-RKDXNWHRSA-N -1 3 243.303 2.464 20 10 BECDHM C[C@H]1CC(C)(C)CN1C(=O)c1cccc(O)c1[O-] ZINC000839878053 586168685 /nfs/dbraw/zinc/16/86/85/586168685.db2.gz XALPIGBPQCMWEW-VIFPVBQESA-N -1 3 249.310 2.358 20 10 BECDHM O=C(Nc1nccn1C1CC1)c1cc([O-])cs1 ZINC000839936783 586258714 /nfs/dbraw/zinc/25/87/14/586258714.db2.gz ILBYTLVLWOITJJ-UHFFFAOYSA-N -1 3 249.295 2.237 20 10 BECDHM CC1CN(Cc2c([O-])cccc2Cl)C1 ZINC000802650864 586307759 /nfs/dbraw/zinc/30/77/59/586307759.db2.gz CHWDCVBNWILZAD-UHFFFAOYSA-N -1 3 211.692 2.497 20 10 BECDHM Cc1ccc(C(=O)N2CCC[C@H]3C[C@H]32)c([O-])c1O ZINC000804295707 586388582 /nfs/dbraw/zinc/38/85/82/586388582.db2.gz AYROFYMYXDAPRI-GXSJLCMTSA-N -1 3 247.294 2.031 20 10 BECDHM C[C@H](NC(=O)c1cc([O-])cs1)C(F)(F)F ZINC000807897731 586451005 /nfs/dbraw/zinc/45/10/05/586451005.db2.gz VWSKMGCRDWUROE-BYPYZUCNSA-N -1 3 239.218 2.134 20 10 BECDHM COC[C@H]1CCN1Cc1cc(Cl)ccc1[O-] ZINC000816637324 586745733 /nfs/dbraw/zinc/74/57/33/586745733.db2.gz ZUJFWVXTNPZAMH-LLVKDONJSA-N -1 3 241.718 2.266 20 10 BECDHM C[C@H]1CCC[N@H+](Cc2ccccc2[O-])[C@H]1C(=O)[O-] ZINC000818631504 586908585 /nfs/dbraw/zinc/90/85/85/586908585.db2.gz HBQWWRXGYOXORQ-GXFFZTMASA-N -1 3 249.310 2.077 20 10 BECDHM C[C@H]1CCC[N@@H+](Cc2ccccc2[O-])[C@H]1C(=O)[O-] ZINC000818631504 586908587 /nfs/dbraw/zinc/90/85/87/586908587.db2.gz HBQWWRXGYOXORQ-GXFFZTMASA-N -1 3 249.310 2.077 20 10 BECDHM CC[C@](C)(CC(=O)[O-])[NH2+]Cc1ccccc1[O-] ZINC000828665472 587456045 /nfs/dbraw/zinc/45/60/45/587456045.db2.gz SQBGPLSDSOPUGL-CYBMUJFWSA-N -1 3 237.299 2.125 20 10 BECDHM C[C@@]1(F)CCCN(C(=O)c2cc([O-])cs2)C1 ZINC000833056101 587698449 /nfs/dbraw/zinc/69/84/49/587698449.db2.gz HHMWHBDPNYALRD-LLVKDONJSA-N -1 3 243.303 2.418 20 10 BECDHM C[C@]1(F)CCCN(C(=O)c2cc([O-])cs2)C1 ZINC000833056103 587698558 /nfs/dbraw/zinc/69/85/58/587698558.db2.gz HHMWHBDPNYALRD-NSHDSACASA-N -1 3 243.303 2.418 20 10 BECDHM Cc1ccc(C(=O)N2CC[C@H]2C2CC2)c([O-])c1O ZINC000834319311 587751633 /nfs/dbraw/zinc/75/16/33/587751633.db2.gz XGKCQJLDRMVXLW-NSHDSACASA-N -1 3 247.294 2.031 20 10 BECDHM CC[C@@H](COC(=O)c1cc([O-])cs1)OC ZINC000842075293 587996065 /nfs/dbraw/zinc/99/60/65/587996065.db2.gz OYBGICZXXRVCGV-QMMMGPOBSA-N -1 3 230.285 2.036 20 10 BECDHM C[C@@H]1SCC[C@H]1NC(=O)c1cc([O-])cs1 ZINC000844154346 588170917 /nfs/dbraw/zinc/17/09/17/588170917.db2.gz ZGQCKUGIYHFXKB-POYBYMJQSA-N -1 3 243.353 2.078 20 10 BECDHM CCNC(=S)NCc1cc(Cl)ccc1[O-] ZINC000844583598 588204882 /nfs/dbraw/zinc/20/48/82/588204882.db2.gz DCADNMTYPFWEMB-UHFFFAOYSA-N -1 3 244.747 2.030 20 10 BECDHM Cc1ccc([O-])c(C[N@@H+]2[C@H](C)CC[C@@H]2C(=O)[O-])c1 ZINC000844933601 588219512 /nfs/dbraw/zinc/21/95/12/588219512.db2.gz GNIQFMQKFISJNL-ZYHUDNBSSA-N -1 3 249.310 2.138 20 10 BECDHM Cc1ccc([O-])c(C[N@H+]2[C@H](C)CC[C@@H]2C(=O)[O-])c1 ZINC000844933601 588219513 /nfs/dbraw/zinc/21/95/13/588219513.db2.gz GNIQFMQKFISJNL-ZYHUDNBSSA-N -1 3 249.310 2.138 20 10 BECDHM CCCC(=O)NCc1cc(Cl)ccc1[O-] ZINC000846480894 588267342 /nfs/dbraw/zinc/26/73/42/588267342.db2.gz YKSYTBNRXMCOCB-UHFFFAOYSA-N -1 3 227.691 2.462 20 10 BECDHM Cc1ncc(CN(C)Cc2ccccc2[O-])o1 ZINC000862228191 589195692 /nfs/dbraw/zinc/19/56/92/589195692.db2.gz MYEONCKVOBYFJE-UHFFFAOYSA-N -1 3 232.283 2.321 20 10 BECDHM O=C(N[C@@H]1CC12CCC2)c1cc([O-])cs1 ZINC000874779235 590130466 /nfs/dbraw/zinc/13/04/66/590130466.db2.gz ZASRZVCLMGCQJE-SECBINFHSA-N -1 3 223.297 2.126 20 10 BECDHM Cc1ccc(CN(C)Cc2cnccn2)c([O-])c1 ZINC000876643795 590225451 /nfs/dbraw/zinc/22/54/51/590225451.db2.gz NBBKVUNTOKTTLU-UHFFFAOYSA-N -1 3 243.310 2.123 20 10 BECDHM O=C(Nc1cccc(F)c1)c1cccc(O)c1[O-] ZINC000126221927 590254833 /nfs/dbraw/zinc/25/48/33/590254833.db2.gz LLDMFKWHOZONFY-UHFFFAOYSA-N -1 3 247.225 2.489 20 10 BECDHM Cc1cccc([O-])c1CNCc1nccs1 ZINC000876955343 590261057 /nfs/dbraw/zinc/26/10/57/590261057.db2.gz WIFIRQYJMZEYGG-UHFFFAOYSA-N -1 3 234.324 2.447 20 10 BECDHM Cc1cnccc1NC(=O)c1cccc(O)c1[O-] ZINC000126415805 590301898 /nfs/dbraw/zinc/30/18/98/590301898.db2.gz SWJKSJRGMYCREB-UHFFFAOYSA-N -1 3 244.250 2.054 20 10 BECDHM Cc1ccc(CN2CC3(C2)CCCO3)c([O-])c1 ZINC000877653821 590385338 /nfs/dbraw/zinc/38/53/38/590385338.db2.gz GPBAYVSXEXCSET-UHFFFAOYSA-N -1 3 233.311 2.065 20 10 BECDHM [O-]c1cccc2c1CN(Cc1cscn1)C2 ZINC000877703289 590395684 /nfs/dbraw/zinc/39/56/84/590395684.db2.gz AAKPSCHLZAUABE-UHFFFAOYSA-N -1 3 232.308 2.365 20 10 BECDHM [O-]c1cccc2c1CN(Cc1cncs1)C2 ZINC000877702559 590395979 /nfs/dbraw/zinc/39/59/79/590395979.db2.gz BMOCLEKAWGEJME-UHFFFAOYSA-N -1 3 232.308 2.365 20 10 BECDHM CCc1noc(CN[C@H](C)c2ccccc2[O-])n1 ZINC000879647869 590842352 /nfs/dbraw/zinc/84/23/52/590842352.db2.gz ORRIXTLHKRDMGB-SECBINFHSA-N -1 3 247.298 2.188 20 10 BECDHM Cc1cnc(CN[C@@H](C)c2ccccc2[O-])nc1 ZINC000879650570 590843584 /nfs/dbraw/zinc/84/35/84/590843584.db2.gz HWTQCPWPLLKIAX-NSHDSACASA-N -1 3 243.310 2.341 20 10 BECDHM CO[C@@H]1CCN(Cc2cccc(Cl)c2[O-])C1 ZINC000300046354 592501763 /nfs/dbraw/zinc/50/17/63/592501763.db2.gz UDBCZDMUHGKUKG-SNVBAGLBSA-N -1 3 241.718 2.266 20 10 BECDHM CC(C)[C@H]([NH2+][C@@H](C)c1ccccc1[O-])C(=O)[O-] ZINC000043429652 597733269 /nfs/dbraw/zinc/73/32/69/597733269.db2.gz IBIKHMFRVVGBGW-CABZTGNLSA-N -1 3 237.299 2.152 20 10 BECDHM [O-]c1ccc(Cl)c(F)c1CNCCF ZINC000308504053 631412885 /nfs/dbraw/zinc/41/28/85/631412885.db2.gz CLTOFICNTHBINJ-UHFFFAOYSA-N -1 3 221.634 2.244 20 10 BECDHM CC[C@H](C)[N@H+](CC(=O)[O-])Cc1ccccc1[O-] ZINC000086752542 631471902 /nfs/dbraw/zinc/47/19/02/631471902.db2.gz LSSJLGJGIMZPGL-JTQLQIEISA-N -1 3 237.299 2.077 20 10 BECDHM CC[C@H](C)[N@@H+](CC(=O)[O-])Cc1ccccc1[O-] ZINC000086752542 631471906 /nfs/dbraw/zinc/47/19/06/631471906.db2.gz LSSJLGJGIMZPGL-JTQLQIEISA-N -1 3 237.299 2.077 20 10 BECDHM C[C@H]1CC[C@@H](CNC(=O)c2cccc(O)c2[O-])C1 ZINC000230429003 641055529 /nfs/dbraw/zinc/05/55/29/641055529.db2.gz VSXCFNUIDDFZIS-VHSXEESVSA-N -1 3 249.310 2.264 20 10 BECDHM C[C@H]1CCC[C@@H]1CNC(=O)c1cccc(O)c1[O-] ZINC000230688277 641087659 /nfs/dbraw/zinc/08/76/59/641087659.db2.gz TWZIFBNYQVBPCJ-VHSXEESVSA-N -1 3 249.310 2.264 20 10 BECDHM [O-]c1cccc(Cl)c1CNCc1ncc[nH]1 ZINC000086507242 644144777 /nfs/dbraw/zinc/14/47/77/644144777.db2.gz QXBOHAFIIZVTLY-UHFFFAOYSA-N -1 3 237.690 2.059 20 10 BECDHM CCC[C@](C)([NH2+]Cc1ccccc1[O-])C(=O)[O-] ZINC000086732021 644471507 /nfs/dbraw/zinc/47/15/07/644471507.db2.gz BIDBXXJWHMIREW-ZDUSSCGKSA-N -1 3 237.299 2.125 20 10 BECDHM CC(C)(NC(=O)c1cccc(O)c1[O-])C1CCC1 ZINC000398119332 711708780 /nfs/dbraw/zinc/70/87/80/711708780.db2.gz QINCJTICSMJGSN-UHFFFAOYSA-N -1 3 249.310 2.406 20 10 BECDHM O=C(NCc1c([O-])cccc1F)C1(C2CC2)CC1 ZINC000928711926 711786188 /nfs/dbraw/zinc/78/61/88/711786188.db2.gz VNAKAKGPEVBPTM-UHFFFAOYSA-N -1 3 249.285 2.338 20 10 BECDHM CC[C@](C)(NC(=O)c1cccc(O)c1[O-])C1CC1 ZINC000701165189 712017398 /nfs/dbraw/zinc/01/73/98/712017398.db2.gz PIWQUFJWIMQSGD-AWEZNQCLSA-N -1 3 249.310 2.406 20 10 BECDHM CN(C)Cc1c([O-])cc(Br)cc1F ZINC001233027408 1167705884 /nfs/dbraw/zinc/70/58/84/1167705884.db2.gz RFEVIAUCQZKZGQ-UHFFFAOYSA-N -1 3 248.095 2.355 20 10 BECDHM CC[C@H]([NH2+][C@@H](C)CC(=O)[O-])c1ccccc1[O-] ZINC001589569550 982834576 /nfs/dbraw/zinc/83/45/76/982834576.db2.gz XEKPGPAQRYCGSW-ONGXEEELSA-N -1 3 237.299 2.296 20 10 BECDHM CC[C@H]1C[C@@H](C)CN1C(=O)c1cccc(O)c1[O-] ZINC000399645276 1169260879 /nfs/dbraw/zinc/26/08/79/1169260879.db2.gz HZNMAJDKCOOKNN-ZJUUUORDSA-N -1 3 249.310 2.358 20 10 BECDHM CC1CN(Cc2cc(F)c(F)cc2[O-])C1 ZINC001142508832 961466156 /nfs/dbraw/zinc/46/61/56/961466156.db2.gz NECLYDLDTLLGEQ-UHFFFAOYSA-N -1 3 213.227 2.122 20 10 BECDHM [O-]c1ccc(F)cc1CN1C[C@@H](F)[C@@H](F)C1 ZINC000714556171 964097879 /nfs/dbraw/zinc/09/78/79/964097879.db2.gz RIWYAVLYQLFNCC-AOOOYVTPSA-N -1 3 231.217 2.023 20 10 BECDHM C[C@H]1CCN1Cc1cc(F)c(F)cc1[O-] ZINC001142509092 964347118 /nfs/dbraw/zinc/34/71/18/964347118.db2.gz WMRLRSUQDCAOSG-ZETCQYMHSA-N -1 3 213.227 2.265 20 10 BECDHM CC1(C)CN(Cc2c([O-])cccc2F)CCO1 ZINC001137831908 967822110 /nfs/dbraw/zinc/82/21/10/967822110.db2.gz RUGNYBJZHVBZIA-UHFFFAOYSA-N -1 3 239.290 2.142 20 10 BECDHM O=C([O-])c1ccc([O-])c(C[N@@H+]2CCCC23CC3)c1 ZINC001231560523 977637678 /nfs/dbraw/zinc/63/76/78/977637678.db2.gz MTGWFMCPMZFCRO-UHFFFAOYSA-N -1 3 247.294 2.219 20 10 BECDHM O=C([O-])c1ccc([O-])c(C[N@H+]2CCCC23CC3)c1 ZINC001231560523 977637689 /nfs/dbraw/zinc/63/76/89/977637689.db2.gz MTGWFMCPMZFCRO-UHFFFAOYSA-N -1 3 247.294 2.219 20 10 BECDHM CC(C)(C)[C@@H]1CCN1C(=O)c1cccc(O)c1[O-] ZINC001347701276 981149708 /nfs/dbraw/zinc/14/97/08/981149708.db2.gz UBXUAIOQBWZDCR-NSHDSACASA-N -1 3 249.310 2.358 20 10 BECDHM C[C@H]([NH2+]CC1(CC(=O)[O-])CC1)c1ccccc1[O-] ZINC001599902188 984856531 /nfs/dbraw/zinc/85/65/31/984856531.db2.gz PCBUPOSMJJKNAV-JTQLQIEISA-N -1 3 249.310 2.298 20 10 BECDHM CC/C=C(\F)C(=O)NCc1c([O-])cccc1F ZINC000928705026 984901052 /nfs/dbraw/zinc/90/10/52/984901052.db2.gz CGRVEGLPOTWGHZ-WMZJFQQLSA-N -1 3 241.237 2.411 20 10 BECDHM O=C(NCc1c([O-])cccc1F)c1ccoc1 ZINC001456082797 985109754 /nfs/dbraw/zinc/10/97/54/985109754.db2.gz BGRDWQFMYDFKOQ-UHFFFAOYSA-N -1 3 235.214 2.054 20 10 BECDHM O=C(CC1CCC1)NCc1c([O-])cccc1F ZINC001120078449 989590590 /nfs/dbraw/zinc/59/05/90/989590590.db2.gz BUBZZXYTRCNJEU-UHFFFAOYSA-N -1 3 237.274 2.338 20 10 BECDHM [O-]c1cccc(F)c1CN1C[C@@H]2C[C@@H]2[C@H](F)C1 ZINC001137832880 990857247 /nfs/dbraw/zinc/85/72/47/990857247.db2.gz KWWJZGUPGCHFFK-HOTUBEGUSA-N -1 3 239.265 2.321 20 10 BECDHM CS/C=C/C(=O)NCc1c([O-])cccc1F ZINC001558454695 990946742 /nfs/dbraw/zinc/94/67/42/990946742.db2.gz KBYKBHFHYXYGEO-AATRIKPKSA-N -1 3 241.287 2.024 20 10 BECDHM O=C1CCCN(Cc2c([O-])cccc2Cl)C1 ZINC001140341566 991611642 /nfs/dbraw/zinc/61/16/42/991611642.db2.gz WLGHOQJZOOUOMO-UHFFFAOYSA-N -1 3 239.702 2.211 20 10 BECDHM [O-]c1cccc(Cl)c1CN1C[C@H]2C[C@@H](C1)O2 ZINC001140341228 991611670 /nfs/dbraw/zinc/61/16/70/991611670.db2.gz FDZUGJLRKOZSBQ-DTORHVGOSA-N -1 3 239.702 2.019 20 10 BECDHM C[C@H]1COCCN1Cc1ccc(Cl)cc1[O-] ZINC001140461612 991644364 /nfs/dbraw/zinc/64/43/64/991644364.db2.gz NOFJCLCWSFLZHV-VIFPVBQESA-N -1 3 241.718 2.266 20 10 BECDHM CCCCNC(=O)NCc1c([O-])cccc1F ZINC001263025595 993094623 /nfs/dbraw/zinc/09/46/23/993094623.db2.gz KDRWNWQKMJFXCH-UHFFFAOYSA-N -1 3 240.278 2.131 20 10 BECDHM C[C@@H]([NH2+]C1CC=CC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593219187 994297642 /nfs/dbraw/zinc/29/76/42/994297642.db2.gz LDZZJODJGJSZLZ-SECBINFHSA-N -1 3 247.294 2.460 20 10 BECDHM C[C@H]([NH2+]C1CC=CC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593219188 994298222 /nfs/dbraw/zinc/29/82/22/994298222.db2.gz LDZZJODJGJSZLZ-VIFPVBQESA-N -1 3 247.294 2.460 20 10 BECDHM Cc1ccc(C(=O)N2CCCCCC2)c([O-])c1O ZINC000177658209 178386137 /nfs/dbraw/zinc/38/61/37/178386137.db2.gz GMJIDVQLODPTCO-UHFFFAOYSA-N -1 3 249.310 2.422 20 10 BECDHM CC(C)=CCNC(=O)c1ccc(C)c(O)c1[O-] ZINC000191823987 188004569 /nfs/dbraw/zinc/00/45/69/188004569.db2.gz MNJJJWVRHOWAMC-UHFFFAOYSA-N -1 3 235.283 2.102 20 10 BECDHM [O-]c1ccc(Cl)cc1CN1CCO[C@@H]2C[C@@H]21 ZINC000366541918 183273644 /nfs/dbraw/zinc/27/36/44/183273644.db2.gz AZEUDVPOZCJLKZ-CMPLNLGQSA-N -1 3 239.702 2.019 20 10 BECDHM CCCN(CCO)Cc1c([O-])cccc1Cl ZINC000128034418 169165665 /nfs/dbraw/zinc/16/56/65/169165665.db2.gz GYPFZDPRTMMOOF-UHFFFAOYSA-N -1 3 243.734 2.250 20 10 BECDHM [O-]c1ccccc1CN1CCC[C@@H]1c1ncc[nH]1 ZINC000368623037 183302445 /nfs/dbraw/zinc/30/24/45/183302445.db2.gz HLZCUARDAGHKDJ-GFCCVEGCSA-N -1 3 243.310 2.452 20 10 BECDHM CC[C@H](NCc1nccn1C)c1ccccc1[O-] ZINC000071272988 384159819 /nfs/dbraw/zinc/15/98/19/384159819.db2.gz XYHHFVXAERYGLJ-LBPRGKRZSA-N -1 3 245.326 2.367 20 10 BECDHM Cc1ccc([C@H](C)NCc2nccn2C)c([O-])c1 ZINC000071273087 384159975 /nfs/dbraw/zinc/15/99/75/384159975.db2.gz NREQDJHUNKTKSO-NSHDSACASA-N -1 3 245.326 2.285 20 10 BECDHM CCC1(CNC(=O)c2ccc(C)c(O)c2[O-])CC1 ZINC000182566872 385683844 /nfs/dbraw/zinc/68/38/44/385683844.db2.gz MQGPYQFBJOWZOP-UHFFFAOYSA-N -1 3 249.310 2.326 20 10 BECDHM CCN(CCCO)Cc1c([O-])cccc1Cl ZINC000271206603 385802352 /nfs/dbraw/zinc/80/23/52/385802352.db2.gz SFGWIWKTFHIBPT-UHFFFAOYSA-N -1 3 243.734 2.250 20 10 BECDHM Cc1ccc(C(=O)N[C@H]2CCC[C@@H]2C)c([O-])c1O ZINC000271313927 385817387 /nfs/dbraw/zinc/81/73/87/385817387.db2.gz WBHUQPNYQSLPPH-KWQFWETISA-N -1 3 249.310 2.325 20 10 BECDHM Cc1nnc(CN(C)Cc2ccccc2[O-])s1 ZINC000271425502 385827734 /nfs/dbraw/zinc/82/77/34/385827734.db2.gz MXBKYHPELZMAFY-UHFFFAOYSA-N -1 3 249.339 2.184 20 10 BECDHM CN(CC(C)(C)C)C(=O)c1cccc(O)c1[O-] ZINC000126361949 387680135 /nfs/dbraw/zinc/68/01/35/387680135.db2.gz IXJRRRCYYUIFSR-UHFFFAOYSA-N -1 3 237.299 2.216 20 10 BECDHM CC1(CCNC(=O)c2cccc(O)c2[O-])CC1 ZINC000280160904 168019971 /nfs/dbraw/zinc/01/99/71/168019971.db2.gz USZHCTMLNFCWMO-UHFFFAOYSA-N -1 3 235.283 2.018 20 10 BECDHM CCc1nnc(CNCc2ccccc2[O-])s1 ZINC000289684521 172052566 /nfs/dbraw/zinc/05/25/66/172052566.db2.gz CSWSWOOUMIILLQ-UHFFFAOYSA-N -1 3 249.339 2.096 20 10 BECDHM CCn1ccnc1CN[C@@H](C)c1ccccc1[O-] ZINC000271646752 172223989 /nfs/dbraw/zinc/22/39/89/172223989.db2.gz IEYFUZBFKVKATJ-NSHDSACASA-N -1 3 245.326 2.459 20 10 BECDHM CCc1cc(NCc2c([O-])cccc2F)ncn1 ZINC001652253069 1173052647 /nfs/dbraw/zinc/05/26/47/1173052647.db2.gz VOTAFGDYXNQCJM-UHFFFAOYSA-N -1 3 247.273 2.496 20 10 BECDHM C[C@@H]1CCCCN1C(=O)c1cccc(O)c1[O-] ZINC000126190154 176069861 /nfs/dbraw/zinc/06/98/61/176069861.db2.gz BLXAYKJBVHNUJV-SECBINFHSA-N -1 3 235.283 2.112 20 10 BECDHM C[C@@H]1CN(C(=O)c2cccc(O)c2[O-])C(C)(C)C1 ZINC000279074224 176262122 /nfs/dbraw/zinc/26/21/22/176262122.db2.gz DGSMKSCIZNYZBE-VIFPVBQESA-N -1 3 249.310 2.358 20 10 BECDHM C[C@@H]1CSCCN1Cc1cccc(F)c1[O-] ZINC000272253591 176350985 /nfs/dbraw/zinc/35/09/85/176350985.db2.gz ITSNBPJFZOSADA-SECBINFHSA-N -1 3 241.331 2.469 20 10 BECDHM C[C@@H]1C[C@@H](C)CN(C(=O)c2cccc(O)c2[O-])C1 ZINC000126228691 176360712 /nfs/dbraw/zinc/36/07/12/176360712.db2.gz JSAWDNVWMMMACE-NXEZZACHSA-N -1 3 249.310 2.216 20 10 BECDHM C[C@@H]1CO[C@@H](C)CN1Cc1cccc(F)c1[O-] ZINC000160199695 177265475 /nfs/dbraw/zinc/26/54/75/177265475.db2.gz NCPVAFHGTBOLJL-ZJUUUORDSA-N -1 3 239.290 2.141 20 10 BECDHM O=C(N[C@@H]1C[C@@H]2CCC[C@H]12)c1cc([O-])cs1 ZINC000889605397 583578309 /nfs/dbraw/zinc/57/83/09/583578309.db2.gz IBMAVPOONIEVDL-UJNFCWOMSA-N -1 3 237.324 2.372 20 10 BECDHM C[C@@H](NCc1cn(C)cn1)c1c([O-])cccc1F ZINC000903351744 584755292 /nfs/dbraw/zinc/75/52/92/584755292.db2.gz NTPQOPWGDYNZPK-SECBINFHSA-N -1 3 249.289 2.116 20 10 BECDHM C[C@H](NC(=O)c1cc([O-])cs1)c1ccccn1 ZINC000731865972 584929999 /nfs/dbraw/zinc/92/99/99/584929999.db2.gz ONFRKRSDSLDMTF-QMMMGPOBSA-N -1 3 248.307 2.340 20 10 BECDHM CN(Cc1ccccn1)C(=O)c1cc([O-])cs1 ZINC000731870952 584930077 /nfs/dbraw/zinc/93/00/77/584930077.db2.gz SPWCNQCRSHSQDW-UHFFFAOYSA-N -1 3 248.307 2.121 20 10 BECDHM C[C@@H](C1CC1)N(C)C(=O)c1cc([O-])cs1 ZINC000732269925 584935300 /nfs/dbraw/zinc/93/53/00/584935300.db2.gz MIFUDLFPKHGQHT-ZETCQYMHSA-N -1 3 225.313 2.324 20 10 BECDHM Cc1cccnc1CNC(=O)c1cc([O-])cs1 ZINC000732288346 584935751 /nfs/dbraw/zinc/93/57/51/584935751.db2.gz QFVMLRMAYUFJCS-UHFFFAOYSA-N -1 3 248.307 2.087 20 10 BECDHM C[C@@H]1CN(C(=O)c2cc([O-])cs2)CCS1 ZINC000732286974 584935884 /nfs/dbraw/zinc/93/58/84/584935884.db2.gz KMZVHLCJMSIOQV-SSDOTTSWSA-N -1 3 243.353 2.031 20 10 BECDHM CC(C)[C@H](C)CNC(=O)c1cc([O-])cs1 ZINC000740128240 585094328 /nfs/dbraw/zinc/09/43/28/585094328.db2.gz MKINGRDTTHFTEU-MRVPVSSYSA-N -1 3 227.329 2.476 20 10 BECDHM C[C@H](NCc1cccc(F)c1[O-])c1ccn(C)n1 ZINC000839191442 585097323 /nfs/dbraw/zinc/09/73/23/585097323.db2.gz PPJOULUYKLQMIO-VIFPVBQESA-N -1 3 249.289 2.116 20 10 BECDHM CC1(C)CCN(C(=O)c2cc([O-])cs2)C1 ZINC000743766627 585139261 /nfs/dbraw/zinc/13/92/61/585139261.db2.gz PIWQQODWYXIDSE-UHFFFAOYSA-N -1 3 225.313 2.326 20 10 BECDHM Cc1ccc(C(=O)Nc2ccccn2)c([O-])c1O ZINC000751530531 585232025 /nfs/dbraw/zinc/23/20/25/585232025.db2.gz NKWWTXDJQIWADD-UHFFFAOYSA-N -1 3 244.250 2.054 20 10 BECDHM CC1(CNC(=O)c2cc([O-])cs2)CCC1 ZINC000752815445 585250447 /nfs/dbraw/zinc/25/04/47/585250447.db2.gz ITZZJNHJQLYBEK-UHFFFAOYSA-N -1 3 225.313 2.374 20 10 BECDHM CCC1(CNC(=O)c2cc([O-])cs2)CC1 ZINC000752815322 585250450 /nfs/dbraw/zinc/25/04/50/585250450.db2.gz GIQRKVZDVTXGAU-UHFFFAOYSA-N -1 3 225.313 2.374 20 10 BECDHM C[C@H]1CN(C(=O)c2cc([O-])cs2)C[C@@H]1C ZINC000752808530 585250470 /nfs/dbraw/zinc/25/04/70/585250470.db2.gz VPYRWWQGXMROQI-YUMQZZPRSA-N -1 3 225.313 2.182 20 10 BECDHM O=C(c1cc([O-])cs1)N1CC2(CC(F)C2)C1 ZINC000753820054 585270442 /nfs/dbraw/zinc/27/04/42/585270442.db2.gz IPRLNRJOTZDDJZ-UHFFFAOYSA-N -1 3 241.287 2.028 20 10 BECDHM C[C@H](NC(=O)c1cc([O-])cs1)C1CCC1 ZINC000756809736 585323408 /nfs/dbraw/zinc/32/34/08/585323408.db2.gz OOOYTHHWZKVWJS-ZETCQYMHSA-N -1 3 225.313 2.372 20 10 BECDHM Cc1cnc(CN(C)Cc2ccccc2[O-])nc1 ZINC000760856565 585400136 /nfs/dbraw/zinc/40/01/36/585400136.db2.gz ITXRTJQGPWRNTM-UHFFFAOYSA-N -1 3 243.310 2.123 20 10 BECDHM Cc1cncc(CNC(=O)c2cc([O-])cs2)c1 ZINC000760933416 585402062 /nfs/dbraw/zinc/40/20/62/585402062.db2.gz OBXSABADCWJJBF-UHFFFAOYSA-N -1 3 248.307 2.087 20 10 BECDHM O=C(N[C@@H]1CCC(F)(F)C1)c1cc([O-])cs1 ZINC000764343119 585463576 /nfs/dbraw/zinc/46/35/76/585463576.db2.gz LDGIUTKRLCDHKG-ZCFIWIBFSA-N -1 3 247.266 2.371 20 10 BECDHM Cc1nc(NC(=O)c2cc([O-])cs2)cs1 ZINC000765140065 585481804 /nfs/dbraw/zinc/48/18/04/585481804.db2.gz ULNLZEWHXFNWHG-UHFFFAOYSA-N -1 3 240.309 2.471 20 10 BECDHM CC(=O)c1cc(F)cc(CN2CC=CCC2)c1[O-] ZINC000778965274 585743093 /nfs/dbraw/zinc/74/30/93/585743093.db2.gz AAVOWTZPBOZDGK-UHFFFAOYSA-N -1 3 249.285 2.496 20 10 BECDHM Cc1ccc(C(=O)N[C@@H](C)C2CCC2)c([O-])c1O ZINC000780996587 585788118 /nfs/dbraw/zinc/78/81/18/585788118.db2.gz ZCSQZFJAONIPOV-VIFPVBQESA-N -1 3 249.310 2.325 20 10 BECDHM CC1=C[C@@H](C)CN(C(=O)c2cc([O-])cs2)C1 ZINC000798119318 586137596 /nfs/dbraw/zinc/13/75/96/586137596.db2.gz UNHCUUIAQLBYBD-MRVPVSSYSA-N -1 3 237.324 2.492 20 10 BECDHM C[C@H]1C[C@@H]1COC(=O)c1cc([O-])cs1 ZINC000859552669 589044353 /nfs/dbraw/zinc/04/43/53/589044353.db2.gz IFWJNGNHSRZMAK-NKWVEPMBSA-N -1 3 212.270 2.267 20 10 BECDHM CC1(C)CC[C@H]1NC(=O)c1cc([O-])cs1 ZINC000807777893 586448906 /nfs/dbraw/zinc/44/89/06/586448906.db2.gz VMCPHQZCVHATDE-SECBINFHSA-N -1 3 225.313 2.372 20 10 BECDHM C[C@@H]1CN(Cc2cccc(F)c2[O-])[C@@H]1C ZINC000816646815 586749110 /nfs/dbraw/zinc/74/91/10/586749110.db2.gz JHYPPZRXJGRMRM-RKDXNWHRSA-N -1 3 209.264 2.372 20 10 BECDHM Cc1cccc(C[N@@H+]2CCCC[C@H]2C(=O)[O-])c1[O-] ZINC000821112404 587096536 /nfs/dbraw/zinc/09/65/36/587096536.db2.gz YMYUZZWBOQEKTR-LBPRGKRZSA-N -1 3 249.310 2.140 20 10 BECDHM Cc1cccc(C[N@H+]2CCCC[C@H]2C(=O)[O-])c1[O-] ZINC000821112404 587096538 /nfs/dbraw/zinc/09/65/38/587096538.db2.gz YMYUZZWBOQEKTR-LBPRGKRZSA-N -1 3 249.310 2.140 20 10 BECDHM [O-]c1ccc(Cl)cc1CNC(CF)CF ZINC000824554426 587275726 /nfs/dbraw/zinc/27/57/26/587275726.db2.gz FYWJEXAPXFACID-UHFFFAOYSA-N -1 3 235.661 2.443 20 10 BECDHM C[C@@H]1[C@H](O)CCN1Cc1cc(Cl)ccc1[O-] ZINC000825103504 587304361 /nfs/dbraw/zinc/30/43/61/587304361.db2.gz GTZTZGRQXUKVMU-LDYMZIIASA-N -1 3 241.718 2.001 20 10 BECDHM Cc1cc([O-])c(C[N@H+](CC(=O)[O-])C2CC2)cc1C ZINC000832898088 587694552 /nfs/dbraw/zinc/69/45/52/587694552.db2.gz CNQNODXTRJDPLR-UHFFFAOYSA-N -1 3 249.310 2.058 20 10 BECDHM Cc1cc([O-])c(C[N@@H+](CC(=O)[O-])C2CC2)cc1C ZINC000832898088 587694554 /nfs/dbraw/zinc/69/45/54/587694554.db2.gz CNQNODXTRJDPLR-UHFFFAOYSA-N -1 3 249.310 2.058 20 10 BECDHM Cc1ccc(C(=O)N2CC[C@@H]2C2CC2)c([O-])c1O ZINC000834319310 587751545 /nfs/dbraw/zinc/75/15/45/587751545.db2.gz XGKCQJLDRMVXLW-LLVKDONJSA-N -1 3 247.294 2.031 20 10 BECDHM C[C@H]1C[C@H]1C(=O)NCc1cc(Cl)ccc1[O-] ZINC000846478877 588267362 /nfs/dbraw/zinc/26/73/62/588267362.db2.gz GNDHONRPEOPPNK-OIBJUYFYSA-N -1 3 239.702 2.318 20 10 BECDHM CC1(C)C[C@H](OC(=O)c2cc([O-])cs2)CO1 ZINC000849728676 588490636 /nfs/dbraw/zinc/49/06/36/588490636.db2.gz WROQMXWFOYJORF-QMMMGPOBSA-N -1 3 242.296 2.178 20 10 BECDHM Cc1nnc([C@H](C)N(C)Cc2ccccc2[O-])o1 ZINC000109772748 588592184 /nfs/dbraw/zinc/59/21/84/588592184.db2.gz KEYFUXXBGJLIKE-VIFPVBQESA-N -1 3 247.298 2.277 20 10 BECDHM COc1cc(CN(C)Cc2ccccc2[O-])on1 ZINC000851840198 588634244 /nfs/dbraw/zinc/63/42/44/588634244.db2.gz BPHWIFDGUNBMNB-UHFFFAOYSA-N -1 3 248.282 2.021 20 10 BECDHM Cc1nonc1CN[C@H](C)c1ccc(C)cc1[O-] ZINC000872135303 589878140 /nfs/dbraw/zinc/87/81/40/589878140.db2.gz FEQHGCGWNNLOGM-SECBINFHSA-N -1 3 247.298 2.243 20 10 BECDHM CN(C(=O)c1cccc(O)c1[O-])C1CCCC1 ZINC000126246131 590260224 /nfs/dbraw/zinc/26/02/24/590260224.db2.gz ODYLSHMEKDSHBP-UHFFFAOYSA-N -1 3 235.283 2.112 20 10 BECDHM Cc1noc([C@@H](C)NCc2ccc(C)cc2[O-])n1 ZINC000877470969 590335298 /nfs/dbraw/zinc/33/52/98/590335298.db2.gz ONBSTNPTRVGZNU-SECBINFHSA-N -1 3 247.298 2.243 20 10 BECDHM Cc1ccc(CN[C@@H]2CCn3ccnc32)c([O-])c1 ZINC000877557931 590358656 /nfs/dbraw/zinc/35/86/56/590358656.db2.gz ZBUPZKHPNCJEEN-GFCCVEGCSA-N -1 3 243.310 2.132 20 10 BECDHM CCn1ccc(CNCc2ccc(C)cc2[O-])n1 ZINC000877587077 590368040 /nfs/dbraw/zinc/36/80/40/590368040.db2.gz DCMFMWXJPBIHBW-UHFFFAOYSA-N -1 3 245.326 2.207 20 10 BECDHM Cc1ccc(CN[C@@H](C)c2csnn2)c([O-])c1 ZINC000877589861 590369174 /nfs/dbraw/zinc/36/91/74/590369174.db2.gz MDMJJIKSNMJZDN-VIFPVBQESA-N -1 3 249.339 2.403 20 10 BECDHM Cc1cc(CN2Cc3cccc([O-])c3C2)on1 ZINC000877702530 590396237 /nfs/dbraw/zinc/39/62/37/590396237.db2.gz AGVSRRULGOMMDO-UHFFFAOYSA-N -1 3 230.267 2.204 20 10 BECDHM CCc1noc(CN[C@@H](C)c2ccccc2[O-])n1 ZINC000879653353 590843249 /nfs/dbraw/zinc/84/32/49/590843249.db2.gz ORRIXTLHKRDMGB-VIFPVBQESA-N -1 3 247.298 2.188 20 10 BECDHM C[C@H]1CN(Cc2cc(Cl)ccc2[O-])CCO1 ZINC000132473900 591711347 /nfs/dbraw/zinc/71/13/47/591711347.db2.gz DWKUKKGLTNJGTP-VIFPVBQESA-N -1 3 241.718 2.266 20 10 BECDHM O=C(c1cc([O-])cs1)N1CC[C@@H]2CCC[C@@H]21 ZINC000890235945 592015635 /nfs/dbraw/zinc/01/56/35/592015635.db2.gz DYKWURHAXGBXEB-WPRPVWTQSA-N -1 3 237.324 2.468 20 10 BECDHM Cc1ccc(C(=O)N[C@]23C[C@H]2CCC3)c([O-])c1O ZINC000887036006 592428166 /nfs/dbraw/zinc/42/81/66/592428166.db2.gz GAAGTWCJHLDELZ-YMTOWFKASA-N -1 3 247.294 2.079 20 10 BECDHM [O-]c1c(F)cc(Cl)cc1CNCCF ZINC000308502769 631413044 /nfs/dbraw/zinc/41/30/44/631413044.db2.gz BERCBPJGPBRZQC-UHFFFAOYSA-N -1 3 221.634 2.244 20 10 BECDHM CCC1(CNC(=O)c2cccc(O)c2[O-])CCC1 ZINC000187176485 634098301 /nfs/dbraw/zinc/09/83/01/634098301.db2.gz CXNWICBTSIEYLX-UHFFFAOYSA-N -1 3 249.310 2.408 20 10 BECDHM CC(C)(C)NC(=O)NCc1c([O-])cccc1F ZINC000905146302 637657574 /nfs/dbraw/zinc/65/75/74/637657574.db2.gz AYQVLOKPYPCSFN-UHFFFAOYSA-N -1 3 240.278 2.129 20 10 BECDHM C[C@@H]1CCC[C@H]1CNC(=O)c1cccc(O)c1[O-] ZINC000230688281 641086347 /nfs/dbraw/zinc/08/63/47/641086347.db2.gz TWZIFBNYQVBPCJ-ZJUUUORDSA-N -1 3 249.310 2.264 20 10 BECDHM O=C(NCc1c([O-])cccc1F)OCCCF ZINC000921451548 642625403 /nfs/dbraw/zinc/62/54/03/642625403.db2.gz RVOKRZAVYJGODU-UHFFFAOYSA-N -1 3 245.225 2.117 20 10 BECDHM CC(C)C[C@@H]1C[C@H]1NC(=O)c1cccc(O)c1[O-] ZINC000395405975 711209504 /nfs/dbraw/zinc/20/95/04/711209504.db2.gz ZBPINBSXTLBPMU-MWLCHTKSSA-N -1 3 249.310 2.262 20 10 BECDHM C[C@@H]1CN(C(=O)c2cccc(O)c2[O-])[C@@H](C)[C@H]1C ZINC000399520354 711430519 /nfs/dbraw/zinc/43/05/19/711430519.db2.gz CHOYIZFMGWIRIV-UTLUCORTSA-N -1 3 249.310 2.214 20 10 BECDHM CC(C)[C@@]1(C)C[C@@H]1NC(=O)c1cccc(O)c1[O-] ZINC000397229617 711379253 /nfs/dbraw/zinc/37/92/53/711379253.db2.gz LKQDDTLAJPTPAG-SMDDNHRTSA-N -1 3 249.310 2.262 20 10 BECDHM O=C(NC1CC2(CCC2)C1)c1cccc(O)c1[O-] ZINC000700138441 711987008 /nfs/dbraw/zinc/98/70/08/711987008.db2.gz YZMOSMAYTMMISO-UHFFFAOYSA-N -1 3 247.294 2.160 20 10 BECDHM [O-]c1c(F)cccc1CN1CC[C@@H](F)C1 ZINC000701672544 712026908 /nfs/dbraw/zinc/02/69/08/712026908.db2.gz FBBKLQJCJCKQLH-SECBINFHSA-N -1 3 213.227 2.075 20 10 BECDHM [O-]c1cc(O)c(CN2CC[C@H](F)C2)cc1Cl ZINC001232260422 977986946 /nfs/dbraw/zinc/98/69/46/977986946.db2.gz QABRPNGQEJWQBX-QMMMGPOBSA-N -1 3 245.681 2.295 20 10 BECDHM COc1ccc(CN2CC=CC2)c([O-])c1Cl ZINC001236803427 979737517 /nfs/dbraw/zinc/73/75/17/979737517.db2.gz UDGBNQUTMMGUMB-UHFFFAOYSA-N -1 3 239.702 2.426 20 10 BECDHM CC(C)Cc1nnc(-c2cccc(O)c2[O-])o1 ZINC001256413211 970822595 /nfs/dbraw/zinc/82/25/95/970822595.db2.gz UJQKSBHSDZTTEN-UHFFFAOYSA-N -1 3 234.255 2.346 20 10 BECDHM Cc1cccc([O-])c1C[NH2+][C@@H]1CC[C@H](C(=O)[O-])C1 ZINC001594408486 958924266 /nfs/dbraw/zinc/92/42/66/958924266.db2.gz KZQUGKHDRPNLST-WDEREUQCSA-N -1 3 249.310 2.044 20 10 BECDHM O=C([O-])c1ccc(C[NH+]2CC3(CCC3)C2)c([O-])c1 ZINC001231449934 977592203 /nfs/dbraw/zinc/59/22/03/977592203.db2.gz OBDQTSDFKWMXEH-UHFFFAOYSA-N -1 3 247.294 2.076 20 10 BECDHM CCCC[N@H+](C)Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231446355 977593819 /nfs/dbraw/zinc/59/38/19/977593819.db2.gz HKESGIMIMKGEQK-UHFFFAOYSA-N -1 3 237.299 2.322 20 10 BECDHM CCCC[N@@H+](C)Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231446355 977593824 /nfs/dbraw/zinc/59/38/24/977593824.db2.gz HKESGIMIMKGEQK-UHFFFAOYSA-N -1 3 237.299 2.322 20 10 BECDHM CC[C@H]([NH2+]C[C@@H](C)C(=O)[O-])c1ccccc1[O-] ZINC001603586182 979481443 /nfs/dbraw/zinc/48/14/43/979481443.db2.gz UFBLHLCGIXVSKR-KOLCDFICSA-N -1 3 237.299 2.154 20 10 BECDHM C[C@@H]([NH2+][C@@H](C)[C@@H]1C[C@H]1C(=O)[O-])c1ccccc1[O-] ZINC001604357517 979623885 /nfs/dbraw/zinc/62/38/85/979623885.db2.gz KZYMWQHKXYNHPU-LLHIFLOGSA-N -1 3 249.310 2.152 20 10 BECDHM COc1cc([O-])c(CN(C)CCF)c(Cl)c1 ZINC001236805392 979740206 /nfs/dbraw/zinc/74/02/06/979740206.db2.gz FIOOWBCQKHJJNH-UHFFFAOYSA-N -1 3 247.697 2.456 20 10 BECDHM O=C(NCc1c([O-])cccc1F)c1ccccc1 ZINC001471975369 987149774 /nfs/dbraw/zinc/14/97/74/987149774.db2.gz XCZPNFFPTIOYRA-UHFFFAOYSA-N -1 3 245.253 2.461 20 10 BECDHM O=C1C[C@H]2CC[C@@H](C1)N2Cc1c([O-])cccc1F ZINC001137833111 990855190 /nfs/dbraw/zinc/85/51/90/990855190.db2.gz TVKOVOKTQHCPMZ-AOOOYVTPSA-N -1 3 249.285 2.227 20 10 BECDHM CC(=O)[C@@H]1CCCN1Cc1cccc(F)c1[O-] ZINC001138131150 990886615 /nfs/dbraw/zinc/88/66/15/990886615.db2.gz RUJPIMZKSWDRPN-LBPRGKRZSA-N -1 3 237.274 2.085 20 10 BECDHM C[C@@H]1CC(=O)CCN1Cc1cc(F)ccc1[O-] ZINC001140057812 991508098 /nfs/dbraw/zinc/50/80/98/991508098.db2.gz OGUVXSYLGMEFTK-SECBINFHSA-N -1 3 237.274 2.085 20 10 BECDHM Cc1cc(C(=O)NCc2c([O-])cccc2F)co1 ZINC001635366725 1171720788 /nfs/dbraw/zinc/72/07/88/1171720788.db2.gz IQXMDBPZHOXXDU-UHFFFAOYSA-N -1 3 249.241 2.363 20 10 BECDHM Cc1ccc(C(=O)N(C)C2CCCC2)c([O-])c1O ZINC000181834146 178375395 /nfs/dbraw/zinc/37/53/95/178375395.db2.gz FOFSFPVYGKNDSJ-UHFFFAOYSA-N -1 3 249.310 2.421 20 10 BECDHM [O-]c1c(Cl)cccc1CN1CCC(O)CC1 ZINC000132485990 191103329 /nfs/dbraw/zinc/10/33/29/191103329.db2.gz LVCBNRJGOGKXAY-UHFFFAOYSA-N -1 3 241.718 2.002 20 10 BECDHM CC(C)=CCCNC(=O)c1ccc(C)c(O)c1[O-] ZINC000276707783 188029541 /nfs/dbraw/zinc/02/95/41/188029541.db2.gz PAGFVYWSSWADPY-UHFFFAOYSA-N -1 3 249.310 2.492 20 10 BECDHM [O-]c1c(F)cccc1CN1CCC[C@H]1CF ZINC000293824661 188390886 /nfs/dbraw/zinc/39/08/86/188390886.db2.gz AHITWMHFNKNKBJ-JTQLQIEISA-N -1 3 227.254 2.465 20 10 BECDHM O=C(NCC1CCCCC1)c1cccc(O)c1[O-] ZINC000072107804 182145796 /nfs/dbraw/zinc/14/57/96/182145796.db2.gz SPRQDHZLXJCZBJ-UHFFFAOYSA-N -1 3 249.310 2.408 20 10 BECDHM O=C(NCCC1=CCCC1)c1cccc(O)c1[O-] ZINC000185885469 182151681 /nfs/dbraw/zinc/15/16/81/182151681.db2.gz WMXOEUFPFYXXNJ-UHFFFAOYSA-N -1 3 247.294 2.328 20 10 BECDHM [O-]c1ccc(Cl)cc1CN1CCO[C@H]2C[C@H]21 ZINC000366541920 183272686 /nfs/dbraw/zinc/27/26/86/183272686.db2.gz AZEUDVPOZCJLKZ-PWSUYJOCSA-N -1 3 239.702 2.019 20 10 BECDHM CCC[N@H+](CCC(=O)[O-])Cc1ccccc1[O-] ZINC000084857718 169139944 /nfs/dbraw/zinc/13/99/44/169139944.db2.gz XIHOQDCZIQEBBW-UHFFFAOYSA-N -1 3 237.299 2.079 20 10 BECDHM CCC[N@@H+](CCC(=O)[O-])Cc1ccccc1[O-] ZINC000084857718 169139946 /nfs/dbraw/zinc/13/99/46/169139946.db2.gz XIHOQDCZIQEBBW-UHFFFAOYSA-N -1 3 237.299 2.079 20 10 BECDHM [O-]c1ccccc1CN1CCC[C@H]1c1ncc[nH]1 ZINC000368623038 183301311 /nfs/dbraw/zinc/30/13/11/183301311.db2.gz HLZCUARDAGHKDJ-LBPRGKRZSA-N -1 3 243.310 2.452 20 10 BECDHM Cc1cc(CN(C)Cc2ccccc2[O-])no1 ZINC000111235915 383842608 /nfs/dbraw/zinc/84/26/08/383842608.db2.gz SKOCUXMPMGJWPJ-UHFFFAOYSA-N -1 3 232.283 2.321 20 10 BECDHM CC(=O)c1cc(F)cc(CN(C)C2CC2)c1[O-] ZINC000037322940 383972127 /nfs/dbraw/zinc/97/21/27/383972127.db2.gz LXKMMJPOQCXZJI-UHFFFAOYSA-N -1 3 237.274 2.328 20 10 BECDHM Cc1cnc(CNCc2ccccc2[O-])s1 ZINC000164841475 385045736 /nfs/dbraw/zinc/04/57/36/385045736.db2.gz DLIWGDFTEOGMCP-UHFFFAOYSA-N -1 3 234.324 2.447 20 10 BECDHM Cc1ccc(C(=O)NC2CCCCC2)c([O-])c1O ZINC000177658727 385268853 /nfs/dbraw/zinc/26/88/53/385268853.db2.gz PNQGWHIZBZIOAP-UHFFFAOYSA-N -1 3 249.310 2.469 20 10 BECDHM CCCCCNC(=O)c1ccc(C)c(O)c1[O-] ZINC000177658353 385268922 /nfs/dbraw/zinc/26/89/22/385268922.db2.gz AMBBPLQEFJDMKE-UHFFFAOYSA-N -1 3 237.299 2.326 20 10 BECDHM CC(C)C1(CNC(=O)c2cccc(O)c2[O-])CC1 ZINC000193130512 385385579 /nfs/dbraw/zinc/38/55/79/385385579.db2.gz LSHBOCFVUQPZEL-UHFFFAOYSA-N -1 3 249.310 2.264 20 10 BECDHM CCN(C(=O)c1ccc(C)c(O)c1[O-])C1CC1 ZINC000179478272 385469767 /nfs/dbraw/zinc/46/97/67/385469767.db2.gz QSXUEVPPJLVIMT-UHFFFAOYSA-N -1 3 235.283 2.031 20 10 BECDHM Cc1ccc(C(=O)NCC2(C)CCC2)c([O-])c1O ZINC000182567762 385683946 /nfs/dbraw/zinc/68/39/46/385683946.db2.gz JWVZNVMXOFJOGH-UHFFFAOYSA-N -1 3 249.310 2.326 20 10 BECDHM CCc1nn(C)cc1NCc1cc(F)ccc1[O-] ZINC000226618738 172042664 /nfs/dbraw/zinc/04/26/64/172042664.db2.gz DECRABXYYYLXET-UHFFFAOYSA-N -1 3 249.289 2.439 20 10 BECDHM CCc1nn(C)cc1NCc1cccc(F)c1[O-] ZINC000226618744 172042882 /nfs/dbraw/zinc/04/28/82/172042882.db2.gz IPRDBEVLESKFDB-UHFFFAOYSA-N -1 3 249.289 2.439 20 10 BECDHM C[C@@H]1C[C@@H](C)CCN1C(=O)c1cccc(O)c1[O-] ZINC000126380435 177154912 /nfs/dbraw/zinc/15/49/12/177154912.db2.gz RYGHBIPRGQDEFB-VHSXEESVSA-N -1 3 249.310 2.358 20 10 BECDHM C[C@@H]1CN(Cc2cccc(F)c2[O-])[C@@H](C)CO1 ZINC000226379878 177301391 /nfs/dbraw/zinc/30/13/91/177301391.db2.gz NCPVAFHGTBOLJL-VHSXEESVSA-N -1 3 239.290 2.141 20 10 BECDHM CCCCCNC(=O)c1cc([O-])cs1 ZINC000731861752 584929846 /nfs/dbraw/zinc/92/98/46/584929846.db2.gz MPVIYDJNUAYUDR-UHFFFAOYSA-N -1 3 213.302 2.374 20 10 BECDHM CC1(C)C[C@@]1(C)NC(=O)c1cc([O-])cs1 ZINC000856138365 588862604 /nfs/dbraw/zinc/86/26/04/588862604.db2.gz XTRNGXVXICQPKV-LLVKDONJSA-N -1 3 225.313 2.372 20 10 BECDHM CN(C[C@H]1CC1(C)C)C(=O)c1cccc(O)c1[O-] ZINC000856458372 588872598 /nfs/dbraw/zinc/87/25/98/588872598.db2.gz IWOHSKWIHSLYSA-SECBINFHSA-N -1 3 249.310 2.216 20 10 BECDHM Cc1ccc(CN(C)Cc2ccccc2[O-])nn1 ZINC000840911092 583116207 /nfs/dbraw/zinc/11/62/07/583116207.db2.gz OTWPJEOQRAQQSA-UHFFFAOYSA-N -1 3 243.310 2.123 20 10 BECDHM O=C(Nc1ccccc1)c1cccc(O)c1[O-] ZINC000114697462 588880205 /nfs/dbraw/zinc/88/02/05/588880205.db2.gz VPIJOOPMGSSDIY-UHFFFAOYSA-N -1 3 229.235 2.350 20 10 BECDHM COc1cccc([O-])c1CN1CC[C@@H]1C(F)F ZINC000895437532 583674814 /nfs/dbraw/zinc/67/48/14/583674814.db2.gz UDIYUJUWSGUZNB-SECBINFHSA-N -1 3 243.253 2.240 20 10 BECDHM Cc1n[nH]c(CN2Cc3cccc([O-])c3C2)c1C ZINC000895448985 583675813 /nfs/dbraw/zinc/67/58/13/583675813.db2.gz BAYJMZVUNKXYSD-UHFFFAOYSA-N -1 3 243.310 2.248 20 10 BECDHM Cc1cccc([O-])c1CN1CC(OC(C)C)C1 ZINC000895954566 583752239 /nfs/dbraw/zinc/75/22/39/583752239.db2.gz AXRANEDHYAYSIN-UHFFFAOYSA-N -1 3 235.327 2.310 20 10 BECDHM C[C@@H](NCc1ccon1)c1ccc(F)cc1[O-] ZINC000148664013 584026207 /nfs/dbraw/zinc/02/62/07/584026207.db2.gz CMFIYNYZWRPAJY-MRVPVSSYSA-N -1 3 236.246 2.370 20 10 BECDHM CC1CCN(C(=O)c2cc([O-])cs2)CC1 ZINC000731864041 584929724 /nfs/dbraw/zinc/92/97/24/584929724.db2.gz MNAPQUGFAKLJDZ-UHFFFAOYSA-N -1 3 225.313 2.326 20 10 BECDHM Cc1csc(NC(=O)c2cc([O-])cs2)n1 ZINC000731866744 584930451 /nfs/dbraw/zinc/93/04/51/584930451.db2.gz XTKFLCSHNGZHKV-UHFFFAOYSA-N -1 3 240.309 2.471 20 10 BECDHM O=C(c1cc([O-])cs1)N1C2CCC1CC2 ZINC000732265845 584934901 /nfs/dbraw/zinc/93/49/01/584934901.db2.gz INHLFIKIKDEELL-UHFFFAOYSA-N -1 3 223.297 2.221 20 10 BECDHM Cc1[nH]nc(NC(=O)c2cc([O-])cs2)c1C ZINC000732278853 584935562 /nfs/dbraw/zinc/93/55/62/584935562.db2.gz GCNVRWSKPOIEOB-UHFFFAOYSA-N -1 3 237.284 2.046 20 10 BECDHM CC[C@@H]1CCCN1C(=O)c1cc([O-])cs1 ZINC000732285142 584935954 /nfs/dbraw/zinc/93/59/54/584935954.db2.gz TUGJDOUFQWFWNT-MRVPVSSYSA-N -1 3 225.313 2.468 20 10 BECDHM CN(C(=O)c1cc([O-])cs1)c1nccs1 ZINC000734864421 584969192 /nfs/dbraw/zinc/96/91/92/584969192.db2.gz AXKLUGKRMAIWCD-UHFFFAOYSA-N -1 3 240.309 2.187 20 10 BECDHM Cc1ccc(C(=O)N[C@@H]2C[C@H]2C(C)C)c([O-])c1O ZINC000838083914 585045600 /nfs/dbraw/zinc/04/56/00/585045600.db2.gz GUNGVUPDLYMHQV-WDEREUQCSA-N -1 3 249.310 2.181 20 10 BECDHM CCOC1CN(Cc2cc(Cl)ccc2[O-])C1 ZINC000839131925 585094003 /nfs/dbraw/zinc/09/40/03/585094003.db2.gz HUXRGQPVXDONET-UHFFFAOYSA-N -1 3 241.718 2.266 20 10 BECDHM C[C@H](NCc1cc(F)ccc1[O-])c1ccn(C)n1 ZINC000839192512 585097411 /nfs/dbraw/zinc/09/74/11/585097411.db2.gz VEZLXQLGVMXUIY-VIFPVBQESA-N -1 3 249.289 2.116 20 10 BECDHM CC1(C)[C@@H]2CN(C(=O)c3cc([O-])cs3)C[C@@H]21 ZINC000743704820 585138831 /nfs/dbraw/zinc/13/88/31/585138831.db2.gz OXIFYNRFKOXZFU-DTORHVGOSA-N -1 3 237.324 2.182 20 10 BECDHM O=C(OCCOCC1CC1)c1cc([O-])cs1 ZINC000745002705 585155297 /nfs/dbraw/zinc/15/52/97/585155297.db2.gz NJCRCFFASIRYGU-UHFFFAOYSA-N -1 3 242.296 2.037 20 10 BECDHM O=C(NCC1(C2CC2)CC1)c1cc([O-])cs1 ZINC000752643540 585248518 /nfs/dbraw/zinc/24/85/18/585248518.db2.gz ZPWHLYDGKQZDSH-UHFFFAOYSA-N -1 3 237.324 2.374 20 10 BECDHM C[C@@H]1CN(C(=O)c2cc([O-])cs2)C[C@H]1C ZINC000752808527 585250369 /nfs/dbraw/zinc/25/03/69/585250369.db2.gz VPYRWWQGXMROQI-HTQZYQBOSA-N -1 3 225.313 2.182 20 10 BECDHM CC[C@H](C)C(=O)COC(=O)c1cc([O-])cs1 ZINC000756409382 585319401 /nfs/dbraw/zinc/31/94/01/585319401.db2.gz AHVJDWDIBYZJOE-ZETCQYMHSA-N -1 3 242.296 2.226 20 10 BECDHM O=C(NC[C@@H]1C[C@H]1C1CC1)c1cc([O-])cs1 ZINC000839790168 585342395 /nfs/dbraw/zinc/34/23/95/585342395.db2.gz SOZIFONAESLIHT-WPRPVWTQSA-N -1 3 237.324 2.230 20 10 BECDHM C[C@H]1CC[C@H](C)N1C(=O)c1cc([O-])cs1 ZINC000758345643 585354330 /nfs/dbraw/zinc/35/43/30/585354330.db2.gz MBYNSGAISSNTOF-YUMQZZPRSA-N -1 3 225.313 2.467 20 10 BECDHM CCC(=O)CCCOC(=O)c1cc([O-])cs1 ZINC000759520441 585374288 /nfs/dbraw/zinc/37/42/88/585374288.db2.gz AFTIBHYIDAXKMO-UHFFFAOYSA-N -1 3 242.296 2.370 20 10 BECDHM COc1cccc([O-])c1CN(C)CC(F)F ZINC000769122174 585549529 /nfs/dbraw/zinc/54/95/29/585549529.db2.gz WOVTWJYVAJPOLL-UHFFFAOYSA-N -1 3 231.242 2.098 20 10 BECDHM O=C(c1cc([O-])cs1)N1CCCC2(CC2)C1 ZINC000771745657 585599376 /nfs/dbraw/zinc/59/93/76/585599376.db2.gz ZZJJXGFDZABMLO-UHFFFAOYSA-N -1 3 237.324 2.470 20 10 BECDHM COCC[C@H](C)OC(=O)c1cc([O-])cs1 ZINC000783608786 585838216 /nfs/dbraw/zinc/83/82/16/585838216.db2.gz RSGJGCWXAGVQAB-ZETCQYMHSA-N -1 3 230.285 2.036 20 10 BECDHM C[C@@H]1C[C@H](O)CN1Cc1cc(Cl)ccc1[O-] ZINC000788268502 585920107 /nfs/dbraw/zinc/92/01/07/585920107.db2.gz DVSFCMQEYSFKQB-KCJUWKMLSA-N -1 3 241.718 2.001 20 10 BECDHM CSC1(CNC(=O)c2cc([O-])cs2)CC1 ZINC000791004042 585971893 /nfs/dbraw/zinc/97/18/93/585971893.db2.gz LSNPZLUCIVAGCK-UHFFFAOYSA-N -1 3 243.353 2.079 20 10 BECDHM [O-]c1ccc(F)cc1CNc1ccc(CO)cn1 ZINC000811501622 586559809 /nfs/dbraw/zinc/55/98/09/586559809.db2.gz QCYLSXJFJABPJV-UHFFFAOYSA-N -1 3 248.257 2.031 20 10 BECDHM COC[C@@H]1CCN1Cc1cc(Cl)ccc1[O-] ZINC000816637325 586746350 /nfs/dbraw/zinc/74/63/50/586746350.db2.gz ZUJFWVXTNPZAMH-NSHDSACASA-N -1 3 241.718 2.266 20 10 BECDHM [O-]c1cccc(Cl)c1CNC(CF)CF ZINC000824554432 587275862 /nfs/dbraw/zinc/27/58/62/587275862.db2.gz GDEUQVQZQJNNBF-UHFFFAOYSA-N -1 3 235.661 2.443 20 10 BECDHM CC[C@H]1CCN1C(=O)c1cc([O-])cs1 ZINC000832819390 587692474 /nfs/dbraw/zinc/69/24/74/587692474.db2.gz MJDRQNVXDJRRMM-ZETCQYMHSA-N -1 3 211.286 2.078 20 10 BECDHM CC(C)(NC(=O)c1cc([O-])cs1)C(F)F ZINC000834781537 587766963 /nfs/dbraw/zinc/76/69/63/587766963.db2.gz KLTSZDUHDKPIFS-UHFFFAOYSA-N -1 3 235.255 2.227 20 10 BECDHM CCn1ccc(CNCc2cc(F)ccc2[O-])n1 ZINC000840954714 587931868 /nfs/dbraw/zinc/93/18/68/587931868.db2.gz IXZHMBREROBKSV-UHFFFAOYSA-N -1 3 249.289 2.038 20 10 BECDHM C[C@@H](CNC(=O)c1cc([O-])cs1)CC(F)F ZINC000844146554 588170599 /nfs/dbraw/zinc/17/05/99/588170599.db2.gz GENDVOGQJUDIMR-ZCFIWIBFSA-N -1 3 249.282 2.475 20 10 BECDHM CC(F)(F)C(=O)NCc1cc(Cl)ccc1[O-] ZINC000844777724 588216949 /nfs/dbraw/zinc/21/69/49/588216949.db2.gz PCZKORRRQQJTFG-UHFFFAOYSA-N -1 3 249.644 2.317 20 10 BECDHM CC(F)(F)C(=O)[N-]Cc1cc(Cl)ccc1O ZINC000844777724 588216950 /nfs/dbraw/zinc/21/69/50/588216950.db2.gz PCZKORRRQQJTFG-UHFFFAOYSA-N -1 3 249.644 2.317 20 10 BECDHM C[C@@H](CCO)N(C)Cc1c([O-])cccc1Cl ZINC000846111453 588257255 /nfs/dbraw/zinc/25/72/55/588257255.db2.gz PGEIAPCJCQUFMI-VIFPVBQESA-N -1 3 243.734 2.248 20 10 BECDHM O=C(c1cc([O-])cs1)N1C[C@@H]2CC=CC[C@@H]2C1 ZINC000871521758 589764140 /nfs/dbraw/zinc/76/41/40/589764140.db2.gz CFIFZVXMFRLULN-AOOOYVTPSA-N -1 3 249.335 2.492 20 10 BECDHM CC[C@H]1CCCN1C(=O)c1cccc(O)c1[O-] ZINC000126275619 590263072 /nfs/dbraw/zinc/26/30/72/590263072.db2.gz ZBIRXUKXVZDNDA-VIFPVBQESA-N -1 3 235.283 2.112 20 10 BECDHM Cc1cc(CNCc2ccc(C)cc2[O-])no1 ZINC000876970870 590263140 /nfs/dbraw/zinc/26/31/40/590263140.db2.gz DYRMCAOBNCCJHD-UHFFFAOYSA-N -1 3 232.283 2.287 20 10 BECDHM CC1(CNC(=O)c2cccc(O)c2[O-])CCCC1 ZINC000126420724 590301689 /nfs/dbraw/zinc/30/16/89/590301689.db2.gz YKKPSTHVORGLOF-UHFFFAOYSA-N -1 3 249.310 2.408 20 10 BECDHM Cc1ccc(CN[C@H]2CCn3ccnc32)c([O-])c1 ZINC000877557935 590358591 /nfs/dbraw/zinc/35/85/91/590358591.db2.gz ZBUPZKHPNCJEEN-LBPRGKRZSA-N -1 3 243.310 2.132 20 10 BECDHM Cc1nc(CN(C)Cc2c(C)cccc2[O-])no1 ZINC000877642159 590383338 /nfs/dbraw/zinc/38/33/38/590383338.db2.gz QVVYLJXXHZXZPZ-UHFFFAOYSA-N -1 3 247.298 2.024 20 10 BECDHM Cc1cccc([O-])c1CN1CC2(C1)CCCO2 ZINC000877654155 590385333 /nfs/dbraw/zinc/38/53/33/590385333.db2.gz WECCZIHUOLZXTQ-UHFFFAOYSA-N -1 3 233.311 2.065 20 10 BECDHM CCc1nocc1CN1Cc2cccc([O-])c2C1 ZINC000877702809 590395593 /nfs/dbraw/zinc/39/55/93/590395593.db2.gz IJLQVSRPWNIZGN-UHFFFAOYSA-N -1 3 244.294 2.458 20 10 BECDHM Cn1ccc(CN2Cc3cccc([O-])c3C2)c1 ZINC000877703170 590396442 /nfs/dbraw/zinc/39/64/42/590396442.db2.gz UOKOABUXRYKLJJ-UHFFFAOYSA-N -1 3 228.295 2.247 20 10 BECDHM [O-]c1cccc2c1CN(Cc1nccs1)C2 ZINC000877703731 590397703 /nfs/dbraw/zinc/39/77/03/590397703.db2.gz RMBPYMJHACMJEK-UHFFFAOYSA-N -1 3 232.308 2.365 20 10 BECDHM CCc1nnc(CN[C@@H](C)c2ccccc2[O-])o1 ZINC000879653354 590843689 /nfs/dbraw/zinc/84/36/89/590843689.db2.gz OTIALOJRAQSUQR-VIFPVBQESA-N -1 3 247.298 2.188 20 10 BECDHM CC[C@@H](NCc1ccn(C)n1)c1ccccc1[O-] ZINC000213106879 591449055 /nfs/dbraw/zinc/44/90/55/591449055.db2.gz XXIKKDRYQRSDHO-CYBMUJFWSA-N -1 3 245.326 2.367 20 10 BECDHM C[C@@H](NCc1ccn(C)n1)c1ccc(F)cc1[O-] ZINC000213211800 591455640 /nfs/dbraw/zinc/45/56/40/591455640.db2.gz TVCOLWBDCYFOQW-SECBINFHSA-N -1 3 249.289 2.116 20 10 BECDHM C[C@H](NCc1ccn(C)n1)c1ccc(F)cc1[O-] ZINC000213211739 591455800 /nfs/dbraw/zinc/45/58/00/591455800.db2.gz TVCOLWBDCYFOQW-VIFPVBQESA-N -1 3 249.289 2.116 20 10 BECDHM [O-]c1cccc(Cl)c1CN1CCCOCC1 ZINC000132726989 591733973 /nfs/dbraw/zinc/73/39/73/591733973.db2.gz ITYIODGGYJHOQW-UHFFFAOYSA-N -1 3 241.718 2.268 20 10 BECDHM CO[C@@H]1CCN(Cc2c([O-])cccc2Cl)C1 ZINC000300045467 592501727 /nfs/dbraw/zinc/50/17/27/592501727.db2.gz LHARBENHAACHOE-SECBINFHSA-N -1 3 241.718 2.266 20 10 BECDHM C[N@H+](CCCCC(=O)[O-])Cc1ccccc1[O-] ZINC000719393336 597794521 /nfs/dbraw/zinc/79/45/21/597794521.db2.gz IHSDINABJDBRBQ-UHFFFAOYSA-N -1 3 237.299 2.079 20 10 BECDHM C[N@@H+](CCCCC(=O)[O-])Cc1ccccc1[O-] ZINC000719393336 597794524 /nfs/dbraw/zinc/79/45/24/597794524.db2.gz IHSDINABJDBRBQ-UHFFFAOYSA-N -1 3 237.299 2.079 20 10 BECDHM C[C@@H]1CC[C@H](CNC(=O)c2cccc(O)c2[O-])C1 ZINC000230429007 641055662 /nfs/dbraw/zinc/05/56/62/641055662.db2.gz VSXCFNUIDDFZIS-ZJUUUORDSA-N -1 3 249.310 2.264 20 10 BECDHM [O-]c1cccc(Cl)c1CNCc1ccno1 ZINC000230973091 641122055 /nfs/dbraw/zinc/12/20/55/641122055.db2.gz RFJBFWZCCDDJBB-UHFFFAOYSA-N -1 3 238.674 2.323 20 10 BECDHM CCCOC(=O)NCc1c([O-])cccc1F ZINC000921452585 642627016 /nfs/dbraw/zinc/62/70/16/642627016.db2.gz SSPCGCGECBGNST-UHFFFAOYSA-N -1 3 227.235 2.168 20 10 BECDHM O=C([O-])CC1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000093682515 644697634 /nfs/dbraw/zinc/69/76/34/644697634.db2.gz GGLSLNYDSTZJGY-UHFFFAOYSA-N -1 3 249.310 2.079 20 10 BECDHM [O-]c1cccc(Cl)c1CNc1ncccn1 ZINC000390785847 711134351 /nfs/dbraw/zinc/13/43/51/711134351.db2.gz OYNGVLVLYIZNGS-UHFFFAOYSA-N -1 3 235.674 2.448 20 10 BECDHM C[C@H](NCc1cocn1)c1ccc(F)cc1[O-] ZINC000397866042 711394084 /nfs/dbraw/zinc/39/40/84/711394084.db2.gz ABQXTPRDWDSKAH-QMMMGPOBSA-N -1 3 236.246 2.370 20 10 BECDHM C[C@H](NC(=O)c1cccc(O)c1[O-])C1CCC1 ZINC000126559317 712631186 /nfs/dbraw/zinc/63/11/86/712631186.db2.gz TYKGDPFETCIPOD-QMMMGPOBSA-N -1 3 235.283 2.016 20 10 BECDHM C[C@H](NCCF)c1cc(F)cc(F)c1[O-] ZINC000380309166 712873631 /nfs/dbraw/zinc/87/36/31/712873631.db2.gz GLIFYPVRGKPSTE-LURJTMIESA-N -1 3 219.206 2.291 20 10 BECDHM CC(C)[C@H]([NH2+][C@H]1CCc2cccc([O-])c21)C(=O)[O-] ZINC000386531653 951300232 /nfs/dbraw/zinc/30/02/32/951300232.db2.gz PEQJOGHMMXLHPB-GWCFXTLKSA-N -1 3 249.310 2.078 20 10 BECDHM O=C(N[C@]12C[C@H]1CCCC2)c1cccc(O)c1[O-] ZINC000693835619 959414390 /nfs/dbraw/zinc/41/43/90/959414390.db2.gz GDUIIXKUNOWUJG-YMTOWFKASA-N -1 3 247.294 2.160 20 10 BECDHM C[C@H]1COCCN1Cc1c([O-])cccc1Cl ZINC000132608013 962454821 /nfs/dbraw/zinc/45/48/21/962454821.db2.gz RVHJHSNOMGIUQI-VIFPVBQESA-N -1 3 241.718 2.266 20 10 BECDHM O=C(NCc1c([O-])cccc1F)c1ccco1 ZINC001156164331 963273522 /nfs/dbraw/zinc/27/35/22/963273522.db2.gz WOKOUQSSAVNFKC-UHFFFAOYSA-N -1 3 235.214 2.054 20 10 BECDHM [O-]c1ccc(F)cc1CN1C[C@@H](F)[C@H](F)C1 ZINC000714556172 964096716 /nfs/dbraw/zinc/09/67/16/964096716.db2.gz RIWYAVLYQLFNCC-NXEZZACHSA-N -1 3 231.217 2.023 20 10 BECDHM C[C@@H]1CN(Cc2c([O-])cccc2F)C[C@@H]1F ZINC001137831872 967822086 /nfs/dbraw/zinc/82/20/86/967822086.db2.gz QQJKLXYGLDOIOT-KCJUWKMLSA-N -1 3 227.254 2.321 20 10 BECDHM C[C@H](CC(=O)[O-])[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC001609888489 970587533 /nfs/dbraw/zinc/58/75/33/970587533.db2.gz MWGXGEVHMJMNGI-HTQZYQBOSA-N -1 3 241.262 2.045 20 10 BECDHM O=C([O-])c1ccc(C[N@@H+]2CCCC23CC3)c([O-])c1 ZINC001231446908 977591231 /nfs/dbraw/zinc/59/12/31/977591231.db2.gz MIKWSJAFQCYZPT-UHFFFAOYSA-N -1 3 247.294 2.219 20 10 BECDHM O=C([O-])c1ccc(C[N@H+]2CCCC23CC3)c([O-])c1 ZINC001231446908 977591238 /nfs/dbraw/zinc/59/12/38/977591238.db2.gz MIKWSJAFQCYZPT-UHFFFAOYSA-N -1 3 247.294 2.219 20 10 BECDHM CC[C@H]1CCC[N@@H+]1Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231452232 977592510 /nfs/dbraw/zinc/59/25/10/977592510.db2.gz HZCFVNHRXJOKGP-LBPRGKRZSA-N -1 3 249.310 2.465 20 10 BECDHM CC[C@H]1CCC[N@H+]1Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231452232 977592520 /nfs/dbraw/zinc/59/25/20/977592520.db2.gz HZCFVNHRXJOKGP-LBPRGKRZSA-N -1 3 249.310 2.465 20 10 BECDHM CC[N@H+](Cc1cc(C(=O)[O-])ccc1[O-])C1CC1 ZINC001231559683 977629662 /nfs/dbraw/zinc/62/96/62/977629662.db2.gz IFRQNYWEUFZKAN-UHFFFAOYSA-N -1 3 235.283 2.075 20 10 BECDHM CC[N@@H+](Cc1cc(C(=O)[O-])ccc1[O-])C1CC1 ZINC001231559683 977629666 /nfs/dbraw/zinc/62/96/66/977629666.db2.gz IFRQNYWEUFZKAN-UHFFFAOYSA-N -1 3 235.283 2.075 20 10 BECDHM O=C([O-])c1ccc([O-])c(C[NH+]2CCCCCC2)c1 ZINC001231561329 977634359 /nfs/dbraw/zinc/63/43/59/977634359.db2.gz SAHOXIIEYKSTKI-UHFFFAOYSA-N -1 3 249.310 2.466 20 10 BECDHM O=C([O-])c1ccc([O-])c(C[N@@H+]2CCC3(CC3)C2)c1 ZINC001231560328 977638615 /nfs/dbraw/zinc/63/86/15/977638615.db2.gz GSTDAUJMLPQICW-UHFFFAOYSA-N -1 3 247.294 2.076 20 10 BECDHM O=C([O-])c1ccc([O-])c(C[N@H+]2CCC3(CC3)C2)c1 ZINC001231560328 977638624 /nfs/dbraw/zinc/63/86/24/977638624.db2.gz GSTDAUJMLPQICW-UHFFFAOYSA-N -1 3 247.294 2.076 20 10 BECDHM Cc1cocc1C(=O)NCc1c([O-])cccc1F ZINC001596916184 978273909 /nfs/dbraw/zinc/27/39/09/978273909.db2.gz BXQKTZRDDJTDGF-UHFFFAOYSA-N -1 3 249.241 2.363 20 10 BECDHM C[C@@H]([NH2+][C@@H]1CCC[C@@H]1C(=O)[O-])c1ccccc1[O-] ZINC001589132157 982637544 /nfs/dbraw/zinc/63/75/44/982637544.db2.gz ORIKUFLPHAUFRW-ADEWGFFLSA-N -1 3 249.310 2.296 20 10 BECDHM CC/C=C(/F)C(=O)NCc1c([O-])cccc1F ZINC000928705024 984902214 /nfs/dbraw/zinc/90/22/14/984902214.db2.gz CGRVEGLPOTWGHZ-ONNFQVAWSA-N -1 3 241.237 2.411 20 10 BECDHM C/C(=C/C[NH2+][C@H](C)c1ccccc1[O-])C(=O)[O-] ZINC001588982828 984958137 /nfs/dbraw/zinc/95/81/37/984958137.db2.gz ZXMIFUDGWRBMEZ-UJICNMFASA-N -1 3 235.283 2.074 20 10 BECDHM Cc1ccc(C[NH2+]CCCCC(=O)[O-])c([O-])c1 ZINC001594362564 987838357 /nfs/dbraw/zinc/83/83/57/987838357.db2.gz OPZDGBQOMMXPRP-UHFFFAOYSA-N -1 3 237.299 2.045 20 10 BECDHM C[C@@H]1C[C@H](F)CN1Cc1c([O-])cccc1F ZINC001137831845 990856737 /nfs/dbraw/zinc/85/67/37/990856737.db2.gz PRFNPENZYQWOSG-BDAKNGLRSA-N -1 3 227.254 2.464 20 10 BECDHM C[C@@H]1C[C@H](F)CN1Cc1cccc(F)c1[O-] ZINC001138122521 990883951 /nfs/dbraw/zinc/88/39/51/990883951.db2.gz KTAXPYWZMJNXAH-SCZZXKLOSA-N -1 3 227.254 2.464 20 10 BECDHM CC1(F)CN(Cc2cc(F)ccc2[O-])C1 ZINC001140057857 991508427 /nfs/dbraw/zinc/50/84/27/991508427.db2.gz QBZYLPFJQLHSLX-UHFFFAOYSA-N -1 3 213.227 2.075 20 10 BECDHM [O-]c1cccc(Cl)c1CNCc1cnccn1 ZINC000700579010 993840805 /nfs/dbraw/zinc/84/08/05/993840805.db2.gz DOONMZYKTJGLJB-UHFFFAOYSA-N -1 3 249.701 2.125 20 10 BECDHM C[C@H]([NH2+]C[C@H]1C[C@@H]1C)c1cc(C(=O)[O-])ccc1[O-] ZINC001609779172 1170290873 /nfs/dbraw/zinc/29/08/73/1170290873.db2.gz OWUGGSIWBADCGZ-ATZCPNFKSA-N -1 3 249.310 2.397 20 10 BECDHM CC[C@@H]1CCN(C(=O)c2cccc(O)c2[O-])[C@@H]1C ZINC001625627125 1171108047 /nfs/dbraw/zinc/10/80/47/1171108047.db2.gz PVHURIHWVFRZOZ-NXEZZACHSA-N -1 3 249.310 2.358 20 10 BECDHM Cc1ccc(C(=O)N(C(C)C)C2CC2)c([O-])c1O ZINC000182326027 178375174 /nfs/dbraw/zinc/37/51/74/178375174.db2.gz UTCSBNXUCQTQKH-UHFFFAOYSA-N -1 3 249.310 2.419 20 10 BECDHM Cc1ccc(C(=O)N2CCC[C@H]2C)c([O-])c1O ZINC000182530233 178391174 /nfs/dbraw/zinc/39/11/74/178391174.db2.gz VNXFXBLZVBKENG-SECBINFHSA-N -1 3 235.283 2.031 20 10 BECDHM Cc1ccc(C(=O)N2CC[C@@H](C)[C@H]2C)c([O-])c1O ZINC000182558029 178395276 /nfs/dbraw/zinc/39/52/76/178395276.db2.gz WWCMDGXTTJKNJP-PSASIEDQSA-N -1 3 249.310 2.277 20 10 BECDHM CC1(C)CCC[C@H]1NC(=O)c1cccc(O)c1[O-] ZINC000126478674 345120517 /nfs/dbraw/zinc/12/05/17/345120517.db2.gz MKRXGESBTBRWLS-LLVKDONJSA-N -1 3 249.310 2.406 20 10 BECDHM [O-]c1cccc(F)c1CNc1cc(F)ncn1 ZINC001643209873 1172449406 /nfs/dbraw/zinc/44/94/06/1172449406.db2.gz JCXKVIZEDDUAMN-UHFFFAOYSA-N -1 3 237.209 2.073 20 10 BECDHM O=C(c1cccc(O)c1[O-])N1CCC[C@@H]1C1CC1 ZINC000364827715 182673942 /nfs/dbraw/zinc/67/39/42/182673942.db2.gz BFPUTGUDEWJCNL-LLVKDONJSA-N -1 3 247.294 2.112 20 10 BECDHM [O-]c1cccc(Cl)c1CN1CCO[C@H]2C[C@H]21 ZINC000366559474 183292364 /nfs/dbraw/zinc/29/23/64/183292364.db2.gz NJBPBPHBRVHYAJ-PWSUYJOCSA-N -1 3 239.702 2.019 20 10 BECDHM CCCS(=O)(=O)Nc1ccc([O-])c(Cl)c1 ZINC000082879719 169334233 /nfs/dbraw/zinc/33/42/33/169334233.db2.gz JCLAGFZFNWTBOA-UHFFFAOYSA-N -1 3 249.719 2.197 20 10 BECDHM CC[C@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000126264943 384784454 /nfs/dbraw/zinc/78/44/54/384784454.db2.gz GRSOHJIZVXOKJF-JTQLQIEISA-N -1 3 249.310 2.360 20 10 BECDHM C[C@H]1OCCN(Cc2cccc(F)c2[O-])[C@H]1C ZINC000272287913 385167075 /nfs/dbraw/zinc/16/70/75/385167075.db2.gz NTFOCUYGTNCSCZ-VHSXEESVSA-N -1 3 239.290 2.141 20 10 BECDHM COC[C@H](NCc1ccccc1[O-])c1ccco1 ZINC000177572037 385264214 /nfs/dbraw/zinc/26/42/14/385264214.db2.gz OFNANHVLCFJEJL-LBPRGKRZSA-N -1 3 247.294 2.463 20 10 BECDHM CC[C@H]1[C@@H](C)CCN1C(=O)c1cccc(O)c1[O-] ZINC000280560098 385335637 /nfs/dbraw/zinc/33/56/37/385335637.db2.gz UUVOASGZRMIABW-ONGXEEELSA-N -1 3 249.310 2.358 20 10 BECDHM Cc1ccc(C(=O)NC2(C(C)C)CC2)c([O-])c1O ZINC000294009995 385787101 /nfs/dbraw/zinc/78/71/01/385787101.db2.gz UUNFTDDOESHVDP-UHFFFAOYSA-N -1 3 249.310 2.325 20 10 BECDHM COC[C@@H]1CCN1Cc1c([O-])cccc1Cl ZINC000293583885 386842699 /nfs/dbraw/zinc/84/26/99/386842699.db2.gz HXCPKTWEGDMACV-VIFPVBQESA-N -1 3 241.718 2.266 20 10 BECDHM COC[C@H]1CCN1Cc1c([O-])cccc1Cl ZINC000293583881 386844194 /nfs/dbraw/zinc/84/41/94/386844194.db2.gz HXCPKTWEGDMACV-SECBINFHSA-N -1 3 241.718 2.266 20 10 BECDHM CC[C@@H]1[C@@H](C)CCN1C(=O)c1cccc(O)c1[O-] ZINC000280560083 171155860 /nfs/dbraw/zinc/15/58/60/171155860.db2.gz UUVOASGZRMIABW-GXSJLCMTSA-N -1 3 249.310 2.358 20 10 BECDHM C[C@@H]1CCCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000280609051 176065228 /nfs/dbraw/zinc/06/52/28/176065228.db2.gz YXVFLVHLSYSELW-SNVBAGLBSA-N -1 3 249.310 2.360 20 10 BECDHM C[C@@H]1CN(Cc2cc(F)ccc2[O-])C[C@@H](C)O1 ZINC000183250431 176301202 /nfs/dbraw/zinc/30/12/02/176301202.db2.gz QLBUXWOMDMSOBN-NXEZZACHSA-N -1 3 239.290 2.141 20 10 BECDHM C[C@@H]1CN(Cc2cccc(F)c2[O-])CCCO1 ZINC000160234624 176305759 /nfs/dbraw/zinc/30/57/59/176305759.db2.gz GXRHUIOCUKLJAM-SNVBAGLBSA-N -1 3 239.290 2.142 20 10 BECDHM C[C@H](c1cnccn1)N(C)Cc1ccccc1[O-] ZINC000184654867 177050841 /nfs/dbraw/zinc/05/08/41/177050841.db2.gz SGVQILPCPATLCR-LLVKDONJSA-N -1 3 243.310 2.375 20 10 BECDHM [O-]c1ccc(Cl)cc1CNCC(F)F ZINC000147370881 583476669 /nfs/dbraw/zinc/47/66/69/583476669.db2.gz AHCWBZJQQURYJL-UHFFFAOYSA-N -1 3 221.634 2.400 20 10 BECDHM Cc1ncoc1CN1Cc2cccc([O-])c2C1 ZINC000895450329 583675853 /nfs/dbraw/zinc/67/58/53/583675853.db2.gz WQYRJWARVIJRQY-UHFFFAOYSA-N -1 3 230.267 2.204 20 10 BECDHM Nc1ccc(NC(=O)[N-]OCCC2CC2)cc1 ZINC000841300577 583685195 /nfs/dbraw/zinc/68/51/95/583685195.db2.gz WNWMRFOALMOKJY-UHFFFAOYSA-N -1 3 235.287 2.122 20 10 BECDHM CC(C)OC1CN(Cc2ccccc2[O-])C1 ZINC000895952846 583751551 /nfs/dbraw/zinc/75/15/51/583751551.db2.gz QLIQIACKVNKEMX-UHFFFAOYSA-N -1 3 221.300 2.001 20 10 BECDHM CC(C)OC1CN(Cc2cc(F)ccc2[O-])C1 ZINC000895955546 583752519 /nfs/dbraw/zinc/75/25/19/583752519.db2.gz QSDLQENDVRHDLQ-UHFFFAOYSA-N -1 3 239.290 2.141 20 10 BECDHM CCn1ccnc1CNCc1c([O-])cccc1F ZINC000896640958 583820432 /nfs/dbraw/zinc/82/04/32/583820432.db2.gz NIDBEITVNCVEKF-UHFFFAOYSA-N -1 3 249.289 2.038 20 10 BECDHM C[C@H](NCc1ccon1)c1ccc(F)cc1[O-] ZINC000148663797 584026282 /nfs/dbraw/zinc/02/62/82/584026282.db2.gz CMFIYNYZWRPAJY-QMMMGPOBSA-N -1 3 236.246 2.370 20 10 BECDHM C[C@H](NC(=O)c1cc([O-])cs1)c1cccnc1 ZINC000731864601 584929959 /nfs/dbraw/zinc/92/99/59/584929959.db2.gz ZHBCJXTUHNQSEU-QMMMGPOBSA-N -1 3 248.307 2.340 20 10 BECDHM Cc1cnc(NC(=O)c2cc([O-])cs2)s1 ZINC000731864670 584930114 /nfs/dbraw/zinc/93/01/14/584930114.db2.gz CFAVQNWWFWDHQP-UHFFFAOYSA-N -1 3 240.309 2.471 20 10 BECDHM Cc1cc(COC(=O)c2cc([O-])cs2)on1 ZINC000731910664 584931368 /nfs/dbraw/zinc/93/13/68/584931368.db2.gz AAFBUPSHLPXTOB-UHFFFAOYSA-N -1 3 239.252 2.107 20 10 BECDHM CCOc1ccc(CNCC(F)F)c([O-])c1 ZINC000839090471 585090501 /nfs/dbraw/zinc/09/05/01/585090501.db2.gz HFTPZKSODVFKGA-UHFFFAOYSA-N -1 3 231.242 2.146 20 10 BECDHM C[C@@H]1C[C@H](C)N(C(=O)c2cc([O-])cs2)C1 ZINC000740928977 585108267 /nfs/dbraw/zinc/10/82/67/585108267.db2.gz VXGIOOOZHWFYTR-SFYZADRCSA-N -1 3 225.313 2.324 20 10 BECDHM Cc1cnc(COC(=O)c2cc([O-])cs2)o1 ZINC000745002363 585155347 /nfs/dbraw/zinc/15/53/47/585155347.db2.gz JJOVWGIWKFDYCO-UHFFFAOYSA-N -1 3 239.252 2.107 20 10 BECDHM C[C@@H]1CCN(C(=O)c2cc([O-])cs2)[C@H]1C ZINC000752821642 585250582 /nfs/dbraw/zinc/25/05/82/585250582.db2.gz ZEWXGSYDIAHHRL-SFYZADRCSA-N -1 3 225.313 2.324 20 10 BECDHM [O-]c1ccc(Cl)cc1CN1CC(F)C1 ZINC000753577756 585262483 /nfs/dbraw/zinc/26/24/83/585262483.db2.gz YDQRSWFRQQCLTD-UHFFFAOYSA-N -1 3 215.655 2.199 20 10 BECDHM C[C@@H](NC(=O)c1cc([O-])cs1)C1CCC1 ZINC000756809733 585323438 /nfs/dbraw/zinc/32/34/38/585323438.db2.gz OOOYTHHWZKVWJS-SSDOTTSWSA-N -1 3 225.313 2.372 20 10 BECDHM O=C(OC[C@H]1CCCOC1)c1cc([O-])cs1 ZINC000760774974 585397115 /nfs/dbraw/zinc/39/71/15/585397115.db2.gz YCABNXUXWCCMIV-QMMMGPOBSA-N -1 3 242.296 2.037 20 10 BECDHM CC(=O)CCCCOC(=O)c1cc([O-])cs1 ZINC000762887081 585438974 /nfs/dbraw/zinc/43/89/74/585438974.db2.gz ZHPMPEZUVRTQHZ-UHFFFAOYSA-N -1 3 242.296 2.370 20 10 BECDHM CC(C)[C@@H]1C[C@H]1NC(=O)c1cc([O-])cs1 ZINC000839796760 585456850 /nfs/dbraw/zinc/45/68/50/585456850.db2.gz DUOLFASKVPBUBZ-DTWKUNHWSA-N -1 3 225.313 2.228 20 10 BECDHM CC[C@H](NCc1nonc1C)c1ccccc1[O-] ZINC000775411658 585677663 /nfs/dbraw/zinc/67/76/63/585677663.db2.gz GNKXYTMKMZNCCR-NSHDSACASA-N -1 3 247.298 2.325 20 10 BECDHM Cc1ccc(C(=O)N2C3CCC2CC3)c([O-])c1O ZINC000780860887 585785576 /nfs/dbraw/zinc/78/55/76/585785576.db2.gz AJUJZENOSTVDSJ-UHFFFAOYSA-N -1 3 247.294 2.173 20 10 BECDHM Cc1ccc(C(=O)NCCC2CCC2)c([O-])c1O ZINC000780968111 585787526 /nfs/dbraw/zinc/78/75/26/585787526.db2.gz BWBOIILJNSQENT-UHFFFAOYSA-N -1 3 249.310 2.326 20 10 BECDHM Cc1ccc(C(=O)N[C@H]2CC[C@@H](C)C2)c([O-])c1O ZINC000781611393 585800272 /nfs/dbraw/zinc/80/02/72/585800272.db2.gz MZLYURGXMXGGQZ-SCZZXKLOSA-N -1 3 249.310 2.325 20 10 BECDHM CC1=C[C@H](C)CN(C(=O)c2cc([O-])cs2)C1 ZINC000798119319 586137446 /nfs/dbraw/zinc/13/74/46/586137446.db2.gz UNHCUUIAQLBYBD-QMMMGPOBSA-N -1 3 237.324 2.492 20 10 BECDHM CC1CN(Cc2cc(Cl)ccc2[O-])C1 ZINC000802651088 586308078 /nfs/dbraw/zinc/30/80/78/586308078.db2.gz IONFFKIWXUGGSZ-UHFFFAOYSA-N -1 3 211.692 2.497 20 10 BECDHM C[C@@H](NC(=O)c1cc([O-])cs1)C(F)(F)F ZINC000807897732 586451289 /nfs/dbraw/zinc/45/12/89/586451289.db2.gz VWSKMGCRDWUROE-SCSAIBSYSA-N -1 3 239.218 2.134 20 10 BECDHM Cc1nc(CN(C)Cc2ccccc2[O-])co1 ZINC000821391372 587116122 /nfs/dbraw/zinc/11/61/22/587116122.db2.gz JYFHEKZNKBVNMG-UHFFFAOYSA-N -1 3 232.283 2.321 20 10 BECDHM CCOc1ccc(CN2CC[C@H](F)C2)c([O-])c1 ZINC000824571044 587276936 /nfs/dbraw/zinc/27/69/36/587276936.db2.gz HRUPRCQMNZSBRZ-NSHDSACASA-N -1 3 239.290 2.335 20 10 BECDHM Cc1cc([O-])c(CNCCF)c(Cl)c1 ZINC000840942586 587931375 /nfs/dbraw/zinc/93/13/75/587931375.db2.gz IPRIRHSQBKNDIU-UHFFFAOYSA-N -1 3 217.671 2.413 20 10 BECDHM CC[C@@H](C)CO[N-]C(=O)Nc1ccc(N)cc1 ZINC000841299669 587950542 /nfs/dbraw/zinc/95/05/42/587950542.db2.gz LZPVDVLDRXTFOD-SECBINFHSA-N -1 3 237.303 2.368 20 10 BECDHM O=C(N[C@@H]1CC[C@H]2C[C@H]2C1)c1cc([O-])cs1 ZINC000844152347 588171129 /nfs/dbraw/zinc/17/11/29/588171129.db2.gz FCUDFUUURSVMDN-XHNCKOQMSA-N -1 3 237.324 2.372 20 10 BECDHM COc1cccc([O-])c1CN1CCC[C@H](F)C1 ZINC000846120212 588258066 /nfs/dbraw/zinc/25/80/66/588258066.db2.gz MUKWABFEZYOXEI-JTQLQIEISA-N -1 3 239.290 2.335 20 10 BECDHM COc1cccc([O-])c1CN1CCC[C@@H](F)C1 ZINC000846120214 588258145 /nfs/dbraw/zinc/25/81/45/588258145.db2.gz MUKWABFEZYOXEI-SNVBAGLBSA-N -1 3 239.290 2.335 20 10 BECDHM C[C@H]1C[C@@H]1C(=O)NCc1cc(Cl)ccc1[O-] ZINC000846472903 588267137 /nfs/dbraw/zinc/26/71/37/588267137.db2.gz GNDHONRPEOPPNK-XVKPBYJWSA-N -1 3 239.702 2.318 20 10 BECDHM CCCCC(=O)COC(=O)c1cc([O-])cs1 ZINC000869395246 589603309 /nfs/dbraw/zinc/60/33/09/589603309.db2.gz ZOLDGZNIHZCLKC-UHFFFAOYSA-N -1 3 242.296 2.370 20 10 BECDHM CC(C)N(CC1CC1)C(=O)c1cccc(O)c1[O-] ZINC000126336057 590282052 /nfs/dbraw/zinc/28/20/52/590282052.db2.gz LBIPZNHPWKVUBD-UHFFFAOYSA-N -1 3 249.310 2.358 20 10 BECDHM Cc1cc(NC(=O)c2cccc(O)c2[O-])ccn1 ZINC000126473500 590316039 /nfs/dbraw/zinc/31/60/39/590316039.db2.gz AXRACECIYKZLST-UHFFFAOYSA-N -1 3 244.250 2.054 20 10 BECDHM Cc1noc([C@@H](C)NCc2c(C)cccc2[O-])n1 ZINC000877470615 590334612 /nfs/dbraw/zinc/33/46/12/590334612.db2.gz KYHGRLUEDHCPCQ-SECBINFHSA-N -1 3 247.298 2.243 20 10 BECDHM Cc1cccc([O-])c1CNCC(C)(F)F ZINC000877552912 590355188 /nfs/dbraw/zinc/35/51/88/590355188.db2.gz XZMMUEXIJPMMME-UHFFFAOYSA-N -1 3 215.243 2.445 20 10 BECDHM Cc1nnc([C@H](C)N[C@H](C)c2ccccc2[O-])o1 ZINC000879649154 590842059 /nfs/dbraw/zinc/84/20/59/590842059.db2.gz MXRQGGXYAKRXST-BDAKNGLRSA-N -1 3 247.298 2.495 20 10 BECDHM [O-]c1cccc(Cl)c1CN1CCC(O)CC1 ZINC000128062308 590886381 /nfs/dbraw/zinc/88/63/81/590886381.db2.gz NFJFCYDNWAMYHK-UHFFFAOYSA-N -1 3 241.718 2.002 20 10 BECDHM O=C(NC[C@]12C[C@H]1CCC2)c1cc([O-])cs1 ZINC000885995150 592124772 /nfs/dbraw/zinc/12/47/72/592124772.db2.gz JDVNMGGWONYVMI-PELKAZGASA-N -1 3 237.324 2.374 20 10 BECDHM C[C@@H](NCc1cc[nH]n1)c1c([O-])cccc1F ZINC000886524879 592245622 /nfs/dbraw/zinc/24/56/22/592245622.db2.gz SRJPDPKHOQRGDH-MRVPVSSYSA-N -1 3 235.262 2.105 20 10 BECDHM O=C(c1cc([O-])cs1)N1C[C@@H]2CCC[C@@H]2C1 ZINC000890271957 592275643 /nfs/dbraw/zinc/27/56/43/592275643.db2.gz VITQDRVPUOTZCX-DTORHVGOSA-N -1 3 237.324 2.326 20 10 BECDHM O=C(N[C@]12C[C@H]1CCC2)c1cc([O-])cs1 ZINC000887033877 592426912 /nfs/dbraw/zinc/42/69/12/592426912.db2.gz VLFLBMPKGCDMBG-RDDDGLTNSA-N -1 3 223.297 2.126 20 10 BECDHM CC(C)[C@@H]([NH2+][C@H](C)c1ccccc1[O-])C(=O)[O-] ZINC000043429655 597733114 /nfs/dbraw/zinc/73/31/14/597733114.db2.gz IBIKHMFRVVGBGW-BXKDBHETSA-N -1 3 237.299 2.152 20 10 BECDHM O=[N+]([O-])c1ccc([O-])c(CNCc2ccco2)c1 ZINC000083378075 643443739 /nfs/dbraw/zinc/44/37/39/643443739.db2.gz PAKSCTOPMDCBRX-UHFFFAOYSA-N -1 3 248.238 2.183 20 10 BECDHM Cc1ccc(C(=O)Nc2ccncc2)c([O-])c1O ZINC000177664472 643502682 /nfs/dbraw/zinc/50/26/82/643502682.db2.gz QRBZVUQUOBVVHV-UHFFFAOYSA-N -1 3 244.250 2.054 20 10 BECDHM O=C([O-])[C@@H]1CCCCC[N@@H+]1Cc1ccccc1[O-] ZINC000086814582 644470819 /nfs/dbraw/zinc/47/08/19/644470819.db2.gz XDQGIOWDEVSSQA-LBPRGKRZSA-N -1 3 249.310 2.221 20 10 BECDHM O=C([O-])[C@@H]1CCCCC[N@H+]1Cc1ccccc1[O-] ZINC000086814582 644470825 /nfs/dbraw/zinc/47/08/25/644470825.db2.gz XDQGIOWDEVSSQA-LBPRGKRZSA-N -1 3 249.310 2.221 20 10 BECDHM C[C@@H](NCc1ccn(C)n1)c1c([O-])cccc1F ZINC000886558829 645888163 /nfs/dbraw/zinc/88/81/63/645888163.db2.gz SXYZZHQZSDPVBM-SECBINFHSA-N -1 3 249.289 2.116 20 10 BECDHM CN(C(=O)c1cccc(O)c1[O-])C1CC(C)(C)C1 ZINC000395458556 711211729 /nfs/dbraw/zinc/21/17/29/711211729.db2.gz FQPJUJDOIZBMHT-UHFFFAOYSA-N -1 3 249.310 2.358 20 10 BECDHM CC(C)(C)C(=O)NCc1c([O-])cccc1F ZINC000928710236 711786230 /nfs/dbraw/zinc/78/62/30/711786230.db2.gz QSKHCYOCAHNTOQ-UHFFFAOYSA-N -1 3 225.263 2.194 20 10 BECDHM Cc1nocc1CNCc1cccc(F)c1[O-] ZINC000398041766 1166700057 /nfs/dbraw/zinc/70/00/57/1166700057.db2.gz YQOMAIVUCBMTQX-UHFFFAOYSA-N -1 3 236.246 2.118 20 10 BECDHM CCC(F)(F)C(=O)NCc1c([O-])cccc1F ZINC000928712905 1169077186 /nfs/dbraw/zinc/07/71/86/1169077186.db2.gz XISMWGMQZNJLLF-UHFFFAOYSA-N -1 3 247.216 2.193 20 10 BECDHM O=C(N[C@@H]1CC[C@H]2C[C@H]2C1)c1cccc(O)c1[O-] ZINC000403647310 971006644 /nfs/dbraw/zinc/00/66/44/971006644.db2.gz QOSUIUOPAFKULO-LPEHRKFASA-N -1 3 247.294 2.016 20 10 BECDHM C[C@@H]1CN(C(=O)c2cccc(O)c2[O-])C2(CC2)C1 ZINC001148218579 973814692 /nfs/dbraw/zinc/81/46/92/973814692.db2.gz GHYPGLFOUUWOFZ-VIFPVBQESA-N -1 3 247.294 2.112 20 10 BECDHM C[C@@H]1CCCC[N@@H+]1Cc1cc(C(=O)[O-])ccc1[O-] ZINC001231559454 977628530 /nfs/dbraw/zinc/62/85/30/977628530.db2.gz FESKHLLVSZWAMC-SNVBAGLBSA-N -1 3 249.310 2.465 20 10 BECDHM C[C@@H]1CCCC[N@H+]1Cc1cc(C(=O)[O-])ccc1[O-] ZINC001231559454 977628534 /nfs/dbraw/zinc/62/85/34/977628534.db2.gz FESKHLLVSZWAMC-SNVBAGLBSA-N -1 3 249.310 2.465 20 10 BECDHM C[C@H]1CCCC[N@@H+]1Cc1cc(C(=O)[O-])ccc1[O-] ZINC001231559453 977628571 /nfs/dbraw/zinc/62/85/71/977628571.db2.gz FESKHLLVSZWAMC-JTQLQIEISA-N -1 3 249.310 2.465 20 10 BECDHM C[C@H]1CCCC[N@H+]1Cc1cc(C(=O)[O-])ccc1[O-] ZINC001231559453 977628577 /nfs/dbraw/zinc/62/85/77/977628577.db2.gz FESKHLLVSZWAMC-JTQLQIEISA-N -1 3 249.310 2.465 20 10 BECDHM C[C@@H]1CCC[N@@H+]1Cc1cc(C(=O)[O-])ccc1[O-] ZINC001231561495 977635742 /nfs/dbraw/zinc/63/57/42/977635742.db2.gz VKWRJNZUCUGIAR-SECBINFHSA-N -1 3 235.283 2.075 20 10 BECDHM C[C@@H]1CCC[N@H+]1Cc1cc(C(=O)[O-])ccc1[O-] ZINC001231561495 977635745 /nfs/dbraw/zinc/63/57/45/977635745.db2.gz VKWRJNZUCUGIAR-SECBINFHSA-N -1 3 235.283 2.075 20 10 BECDHM C[C@H]1CCC[N@H+](Cc2cc(C(=O)[O-])ccc2[O-])C1 ZINC001231561994 977635942 /nfs/dbraw/zinc/63/59/42/977635942.db2.gz YPTKKGJIBRPGMP-JTQLQIEISA-N -1 3 249.310 2.322 20 10 BECDHM C[C@H]1CCC[N@@H+](Cc2cc(C(=O)[O-])ccc2[O-])C1 ZINC001231561994 977635949 /nfs/dbraw/zinc/63/59/49/977635949.db2.gz YPTKKGJIBRPGMP-JTQLQIEISA-N -1 3 249.310 2.322 20 10 BECDHM Cc1cc([O-])c(CN(C)C2COC2)cc1Cl ZINC001231870596 977776215 /nfs/dbraw/zinc/77/62/15/977776215.db2.gz LGJSBDIJPCFGIB-UHFFFAOYSA-N -1 3 241.718 2.185 20 10 BECDHM Cc1ccc(C[NH2+][C@@H](CC2CC2)C(=O)[O-])c([O-])c1 ZINC001600419893 978691869 /nfs/dbraw/zinc/69/18/69/978691869.db2.gz RBPIZVQHKVWGNS-LBPRGKRZSA-N -1 3 249.310 2.044 20 10 BECDHM Cc1ccc(C[NH2+][C@H](CC2CC2)C(=O)[O-])c([O-])c1 ZINC001600419892 978693740 /nfs/dbraw/zinc/69/37/40/978693740.db2.gz RBPIZVQHKVWGNS-GFCCVEGCSA-N -1 3 249.310 2.044 20 10 BECDHM Cc1cccc([O-])c1C[N@@H+]1CCC[C@@H]1CC(=O)[O-] ZINC001600543422 978700046 /nfs/dbraw/zinc/70/00/46/978700046.db2.gz VUSROONBPGKUBQ-LLVKDONJSA-N -1 3 249.310 2.140 20 10 BECDHM Cc1cccc([O-])c1C[N@H+]1CCC[C@@H]1CC(=O)[O-] ZINC001600543422 978700051 /nfs/dbraw/zinc/70/00/51/978700051.db2.gz VUSROONBPGKUBQ-LLVKDONJSA-N -1 3 249.310 2.140 20 10 BECDHM CC(C)C[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001603821831 979526370 /nfs/dbraw/zinc/52/63/70/979526370.db2.gz YTUXAQNDVWFTNR-VIFPVBQESA-N -1 3 237.299 2.397 20 10 BECDHM O=C1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC001203664024 980532768 /nfs/dbraw/zinc/53/27/68/980532768.db2.gz MATHMUZSYDRRLZ-UHFFFAOYSA-N -1 3 239.702 2.211 20 10 BECDHM CC1(C)CN(Cc2cccc(F)c2[O-])CCO1 ZINC000160200569 982517166 /nfs/dbraw/zinc/51/71/66/982517166.db2.gz HYNHQAIQZDXODR-UHFFFAOYSA-N -1 3 239.290 2.142 20 10 BECDHM C[C@@H]([NH2+][C@@H]1CC[C@H](C(=O)[O-])C1)c1ccccc1[O-] ZINC001589137304 982633458 /nfs/dbraw/zinc/63/34/58/982633458.db2.gz WOJAPLNXZMJVLF-OUAUKWLOSA-N -1 3 249.310 2.296 20 10 BECDHM [O-]c1ccc(F)cc1CN1CC(F)(C2CC2)C1 ZINC001140058299 991508352 /nfs/dbraw/zinc/50/83/52/991508352.db2.gz WLUZKCCNUXEOLL-UHFFFAOYSA-N -1 3 239.265 2.465 20 10 BECDHM CC(=O)CN(C)Cc1c([O-])cccc1Cl ZINC001140337807 991611864 /nfs/dbraw/zinc/61/18/64/991611864.db2.gz GMDDTJULDHJXTO-UHFFFAOYSA-N -1 3 227.691 2.066 20 10 BECDHM [O-]c1cc(Cl)ccc1CN1C[C@@H]2C[C@H]1CO2 ZINC001140466673 991643502 /nfs/dbraw/zinc/64/35/02/991643502.db2.gz KLLSUKYYSQQDQS-QWRGUYRKSA-N -1 3 239.702 2.019 20 10 BECDHM C[C@@H]([NH2+][C@H]1C=CCC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593208543 994226477 /nfs/dbraw/zinc/22/64/77/994226477.db2.gz CYWAMWAWAZKRQV-KOLCDFICSA-N -1 3 247.294 2.460 20 10 BECDHM Cc1ccc(C(=O)N(C)CC(C)C)c([O-])c1O ZINC000267564849 178375891 /nfs/dbraw/zinc/37/58/91/178375891.db2.gz HIYPBZXYUWBIBH-UHFFFAOYSA-N -1 3 237.299 2.134 20 10 BECDHM Cc1ccc(C(=O)N2CCCCC2)c([O-])c1O ZINC000132525696 178385948 /nfs/dbraw/zinc/38/59/48/178385948.db2.gz CGPBMVIVUUHWEN-UHFFFAOYSA-N -1 3 235.283 2.032 20 10 BECDHM Cc1ccc(C(=O)N2CCC[C@@H](C)C2)c([O-])c1O ZINC000177659591 178387778 /nfs/dbraw/zinc/38/77/78/178387778.db2.gz QOYDEDHLJGMXQC-SECBINFHSA-N -1 3 249.310 2.278 20 10 BECDHM Cc1ccc(C(=O)N[C@H]2CC=CCC2)c([O-])c1O ZINC000182475318 178431851 /nfs/dbraw/zinc/43/18/51/178431851.db2.gz MQIIIOMAHWJUOZ-JTQLQIEISA-N -1 3 247.294 2.245 20 10 BECDHM Cc1csc(CNCc2ccccc2[O-])n1 ZINC000038090720 343370529 /nfs/dbraw/zinc/37/05/29/343370529.db2.gz SKBQJHKQQVGXTF-UHFFFAOYSA-N -1 3 234.324 2.447 20 10 BECDHM CC[C@@H](NCc1nccn1C)c1ccccc1[O-] ZINC000071272989 343962291 /nfs/dbraw/zinc/96/22/91/343962291.db2.gz XYHHFVXAERYGLJ-GFCCVEGCSA-N -1 3 245.326 2.367 20 10 BECDHM Cc1nc([C@H](C)N(C)Cc2ccccc2[O-])no1 ZINC000278542579 180046697 /nfs/dbraw/zinc/04/66/97/180046697.db2.gz GLZWMVHCLARWBE-VIFPVBQESA-N -1 3 247.298 2.277 20 10 BECDHM [O-]c1cccc(F)c1CNc1nccnc1F ZINC001640434898 1172170592 /nfs/dbraw/zinc/17/05/92/1172170592.db2.gz OAGFBZOXGXFRFF-UHFFFAOYSA-N -1 3 237.209 2.073 20 10 BECDHM [O-]c1c(Cl)cccc1CN1CCC[C@@H]1CO ZINC000132487127 183150251 /nfs/dbraw/zinc/15/02/51/183150251.db2.gz COINNAJGCVIGME-SNVBAGLBSA-N -1 3 241.718 2.002 20 10 BECDHM CCCN(C(=O)c1cccc(O)c1[O-])C1CC1 ZINC000126246637 169047722 /nfs/dbraw/zinc/04/77/22/169047722.db2.gz BLHZKLJIZWTNCO-UHFFFAOYSA-N -1 3 235.283 2.112 20 10 BECDHM [O-]c1ccc(F)cc1CN1CCC[C@@H]1CF ZINC000293961242 183275449 /nfs/dbraw/zinc/27/54/49/183275449.db2.gz JNDQOEBQRCQMTC-LLVKDONJSA-N -1 3 227.254 2.465 20 10 BECDHM CCC1(CNC(=O)c2cccc(O)c2[O-])CC1 ZINC000187169916 384189661 /nfs/dbraw/zinc/18/96/61/384189661.db2.gz XGDUNYOVVSWNJL-UHFFFAOYSA-N -1 3 235.283 2.018 20 10 BECDHM [O-]c1c(Cl)cccc1CN1CCC[C@@H](O)C1 ZINC000132481044 384234370 /nfs/dbraw/zinc/23/43/70/384234370.db2.gz JYCIRLIOAGJPOB-SNVBAGLBSA-N -1 3 241.718 2.002 20 10 BECDHM Cc1cnc(CN(C)Cc2ccccc2[O-])o1 ZINC000072629589 384228319 /nfs/dbraw/zinc/22/83/19/384228319.db2.gz VKGADXWMCIKCHI-UHFFFAOYSA-N -1 3 232.283 2.321 20 10 BECDHM CCC[C@H](C)N(C)C(=O)c1cccc(O)c1[O-] ZINC000126264176 384785321 /nfs/dbraw/zinc/78/53/21/384785321.db2.gz STXATIAZYMCWRT-VIFPVBQESA-N -1 3 237.299 2.358 20 10 BECDHM CN(Cc1c([O-])cccc1Cl)CC(C)(C)O ZINC000126399060 384795835 /nfs/dbraw/zinc/79/58/35/384795835.db2.gz AMMQYJBVXXWWHF-UHFFFAOYSA-N -1 3 243.734 2.248 20 10 BECDHM C[C@@H](O)CCN(C)Cc1c([O-])cccc1Cl ZINC000127679977 384933344 /nfs/dbraw/zinc/93/33/44/384933344.db2.gz GQMWWPVUMVKLCO-SECBINFHSA-N -1 3 243.734 2.248 20 10 BECDHM O=C(c1cccc(O)c1[O-])N1CC2(C1)CCCC2 ZINC000365757420 385738082 /nfs/dbraw/zinc/73/80/82/385738082.db2.gz IFRPTUCKCDIMIG-UHFFFAOYSA-N -1 3 247.294 2.114 20 10 BECDHM Cc1ccc(C(=O)N[C@H]2CCC[C@H]2C)c([O-])c1O ZINC000271313924 385817186 /nfs/dbraw/zinc/81/71/86/385817186.db2.gz WBHUQPNYQSLPPH-KCJUWKMLSA-N -1 3 249.310 2.325 20 10 BECDHM C[C@H](NCc1cccc(F)c1[O-])c1cn[nH]c1 ZINC000226618320 386345034 /nfs/dbraw/zinc/34/50/34/386345034.db2.gz PNGIIZSTMDTICN-QMMMGPOBSA-N -1 3 235.262 2.105 20 10 BECDHM CCC1(C)CN(C(=O)c2ccc(C)c(O)c2[O-])C1 ZINC000292932463 386752561 /nfs/dbraw/zinc/75/25/61/386752561.db2.gz TYAMOWRRQGSAPD-UHFFFAOYSA-N -1 3 249.310 2.278 20 10 BECDHM [O-]c1c(F)cccc1CN1CCC[C@@H]1CF ZINC000293824676 386884533 /nfs/dbraw/zinc/88/45/33/386884533.db2.gz AHITWMHFNKNKBJ-SNVBAGLBSA-N -1 3 227.254 2.465 20 10 BECDHM CC1(NC(=O)c2cccc(O)c2[O-])CCCC1 ZINC000126447815 168062021 /nfs/dbraw/zinc/06/20/21/168062021.db2.gz XATCLGTUTMOBTH-UHFFFAOYSA-N -1 3 235.283 2.160 20 10 BECDHM CC1=C(C)CN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000280168203 168083240 /nfs/dbraw/zinc/08/32/40/168083240.db2.gz FSGZYLBOPUUMRA-UHFFFAOYSA-N -1 3 247.294 2.280 20 10 BECDHM C[C@H]1CC[C@H](NC(=O)c2cccc(O)c2[O-])CC1 ZINC000249499109 176211790 /nfs/dbraw/zinc/21/17/90/176211790.db2.gz HYBXOQLHGRAXSV-MGCOHNPYSA-N -1 3 249.310 2.406 20 10 BECDHM C[C@@H]1CCN(C(=O)c2cccc(O)c2[O-])C[C@H]1C ZINC000126564023 176261670 /nfs/dbraw/zinc/26/16/70/176261670.db2.gz LYYRGGKLQHJJSJ-NXEZZACHSA-N -1 3 249.310 2.216 20 10 BECDHM C[C@H]1CCCC[C@@H]1NC(=O)c1cccc(O)c1[O-] ZINC000126224071 177082887 /nfs/dbraw/zinc/08/28/87/177082887.db2.gz DFOOMUPIFJVAQV-ONGXEEELSA-N -1 3 249.310 2.406 20 10 BECDHM C[C@H]1CN(C(=O)c2cccc(O)c2[O-])CC[C@@H]1C ZINC000126563808 177154607 /nfs/dbraw/zinc/15/46/07/177154607.db2.gz LYYRGGKLQHJJSJ-UWVGGRQHSA-N -1 3 249.310 2.216 20 10 BECDHM C[C@@H]1C[C@H](C)CN(C(=O)c2cccc(O)c2[O-])C1 ZINC000126228240 177312205 /nfs/dbraw/zinc/31/22/05/177312205.db2.gz JSAWDNVWMMMACE-AOOOYVTPSA-N -1 3 249.310 2.216 20 10 BECDHM Cc1ccc(C(=O)NC2CC(C)(C)C2)c([O-])c1O ZINC000856337235 588868007 /nfs/dbraw/zinc/86/80/07/588868007.db2.gz HXEJCJQBTNKMTE-UHFFFAOYSA-N -1 3 249.310 2.325 20 10 BECDHM O=C(N[C@@H]1C[C@H]2CCC[C@@H]21)c1cc([O-])cs1 ZINC000889605394 583578442 /nfs/dbraw/zinc/57/84/42/583578442.db2.gz IBMAVPOONIEVDL-FKTZTGRPSA-N -1 3 237.324 2.372 20 10 BECDHM [O-]c1ccccc1CN1CC[C@@H]1C(F)F ZINC000895436712 583674820 /nfs/dbraw/zinc/67/48/20/583674820.db2.gz POLBIQRRZPQEKV-SECBINFHSA-N -1 3 213.227 2.232 20 10 BECDHM [O-]c1ccccc1CN1CCn2cccc2C1 ZINC000896759768 583831378 /nfs/dbraw/zinc/83/13/78/583831378.db2.gz FIVDOKBMKZOGMN-UHFFFAOYSA-N -1 3 228.295 2.210 20 10 BECDHM C[C@@H](NCc1cn(C)cn1)c1ccc(F)cc1[O-] ZINC000903352566 584755682 /nfs/dbraw/zinc/75/56/82/584755682.db2.gz VKEMRGOGMZWERF-SECBINFHSA-N -1 3 249.289 2.116 20 10 BECDHM Cc1ccc(CNC(=O)c2cc([O-])cs2)cn1 ZINC000731872110 584929965 /nfs/dbraw/zinc/92/99/65/584929965.db2.gz WOWMLHRMGWAEDG-UHFFFAOYSA-N -1 3 248.307 2.087 20 10 BECDHM Cc1noc(C)c1NC(=O)c1cc([O-])cs1 ZINC000731873829 584930241 /nfs/dbraw/zinc/93/02/41/584930241.db2.gz WJNKYFZJJOFULT-UHFFFAOYSA-N -1 3 238.268 2.311 20 10 BECDHM Cc1cc(COC(=O)c2cc([O-])cs2)no1 ZINC000731909266 584931140 /nfs/dbraw/zinc/93/11/40/584931140.db2.gz FCSQUGIJBWHTBB-UHFFFAOYSA-N -1 3 239.252 2.107 20 10 BECDHM C[C@H](CNC(=O)c1cc([O-])cs1)C1CC1 ZINC000732277777 584935483 /nfs/dbraw/zinc/93/54/83/584935483.db2.gz OYXPRNNMMXUNCA-SSDOTTSWSA-N -1 3 225.313 2.230 20 10 BECDHM O=C(O[C@H]1CCCCC1=O)c1cc([O-])cs1 ZINC000732353851 584936137 /nfs/dbraw/zinc/93/61/37/584936137.db2.gz BMDVAZFVTMPMEN-VIFPVBQESA-N -1 3 240.280 2.122 20 10 BECDHM C[C@@H](NCc1cc(F)ccc1[O-])c1ccn(C)n1 ZINC000839192511 585097320 /nfs/dbraw/zinc/09/73/20/585097320.db2.gz VEZLXQLGVMXUIY-SECBINFHSA-N -1 3 249.289 2.116 20 10 BECDHM CSC(C)(C)CNC(=O)c1cc([O-])cs1 ZINC000743820865 585140116 /nfs/dbraw/zinc/14/01/16/585140116.db2.gz ILBYHZGWPPVTCA-UHFFFAOYSA-N -1 3 245.369 2.325 20 10 BECDHM CC(C)CC(=O)COC(=O)c1cc([O-])cs1 ZINC000751663543 585235141 /nfs/dbraw/zinc/23/51/41/585235141.db2.gz VIVRXPXKOLKPES-UHFFFAOYSA-N -1 3 242.296 2.226 20 10 BECDHM CC(C)C1CN(C(=O)c2cc([O-])cs2)C1 ZINC000753848164 585270902 /nfs/dbraw/zinc/27/09/02/585270902.db2.gz AHCPIDKNTIZVBA-UHFFFAOYSA-N -1 3 225.313 2.182 20 10 BECDHM CN(C)c1ccc(C=Cc2nccc(=O)[n-]2)cc1 ZINC000764443930 585465806 /nfs/dbraw/zinc/46/58/06/585465806.db2.gz ZXBHDBOGUDJNTB-YVMONPNESA-N -1 3 241.294 2.419 20 10 BECDHM O=C(c1cc([O-])cs1)N1CCc2ncccc21 ZINC000771066672 585589596 /nfs/dbraw/zinc/58/95/96/585589596.db2.gz KEHHGNMKURHXCH-UHFFFAOYSA-N -1 3 246.291 2.052 20 10 BECDHM CC[C@@H](NCc1nonc1C)c1ccccc1[O-] ZINC000775411657 585677636 /nfs/dbraw/zinc/67/76/36/585677636.db2.gz GNKXYTMKMZNCCR-LLVKDONJSA-N -1 3 247.298 2.325 20 10 BECDHM Cc1ccc(C(=O)NC2(C3CC3)CC2)c([O-])c1O ZINC000780966758 585787583 /nfs/dbraw/zinc/78/75/83/585787583.db2.gz ANVUJHAUOXJHFR-UHFFFAOYSA-N -1 3 247.294 2.079 20 10 BECDHM C[C@H]1C[C@H](O)CN1Cc1cccc(Cl)c1[O-] ZINC000788269062 585920035 /nfs/dbraw/zinc/92/00/35/585920035.db2.gz LBZLIBOVSRGFRV-WPRPVWTQSA-N -1 3 241.718 2.001 20 10 BECDHM CCSCCCNC(=O)c1cc([O-])cs1 ZINC000800696432 586227948 /nfs/dbraw/zinc/22/79/48/586227948.db2.gz UWTXBKFSMYLLBO-UHFFFAOYSA-N -1 3 245.369 2.327 20 10 BECDHM C[C@@H]1C[C@H]1COC(=O)c1cc([O-])cs1 ZINC000859552673 589044617 /nfs/dbraw/zinc/04/46/17/589044617.db2.gz IFWJNGNHSRZMAK-RQJHMYQMSA-N -1 3 212.270 2.267 20 10 BECDHM COCCCCOC(=O)c1cc([O-])cs1 ZINC000803346690 586346031 /nfs/dbraw/zinc/34/60/31/586346031.db2.gz XFYJXUIGBCYSRM-UHFFFAOYSA-N -1 3 230.285 2.037 20 10 BECDHM CO[C@@H](COC(=O)c1cc([O-])cs1)C1CC1 ZINC000820362847 587045152 /nfs/dbraw/zinc/04/51/52/587045152.db2.gz ILCPKRVPCYHIIS-VIFPVBQESA-N -1 3 242.296 2.036 20 10 BECDHM [O-]c1ccc(F)cc1CN1CC2(CC2)C1 ZINC000824533554 587273946 /nfs/dbraw/zinc/27/39/46/587273946.db2.gz HUNUSJJPJNCWFB-UHFFFAOYSA-N -1 3 207.248 2.127 20 10 BECDHM CCOc1ccc(CN2CC[C@@H](F)C2)c([O-])c1 ZINC000824571042 587276918 /nfs/dbraw/zinc/27/69/18/587276918.db2.gz HRUPRCQMNZSBRZ-LLVKDONJSA-N -1 3 239.290 2.335 20 10 BECDHM Cc1ncc(CN(C)Cc2ccccc2[O-])n1C ZINC000824593175 587278553 /nfs/dbraw/zinc/27/85/53/587278553.db2.gz LXVLATOADXUFJL-UHFFFAOYSA-N -1 3 245.326 2.066 20 10 BECDHM CN(Cc1c([O-])cccc1Cl)C1(CO)CC1 ZINC000827904175 587409502 /nfs/dbraw/zinc/40/95/02/587409502.db2.gz VNUMDOMNEHNBQV-UHFFFAOYSA-N -1 3 241.718 2.002 20 10 BECDHM O=C(c1cc([O-])cs1)N1CC[C@@H]1C1CC1 ZINC000833690131 587728004 /nfs/dbraw/zinc/72/80/04/587728004.db2.gz JEVGTSOXZSZGGI-SECBINFHSA-N -1 3 223.297 2.078 20 10 BECDHM CCn1ccc(CN[C@H](C)c2ccccc2[O-])n1 ZINC000840839759 587924673 /nfs/dbraw/zinc/92/46/73/587924673.db2.gz RRANKPOMPFTCDL-LLVKDONJSA-N -1 3 245.326 2.459 20 10 BECDHM CCN(CCSC)C(=O)c1cc([O-])cs1 ZINC000844153558 588171018 /nfs/dbraw/zinc/17/10/18/588171018.db2.gz YCPRHEBXBMMEEX-UHFFFAOYSA-N -1 3 245.369 2.279 20 10 BECDHM CS[C@H]1C[C@H](NC(=O)c2cc([O-])cs2)C1 ZINC000871096526 589725927 /nfs/dbraw/zinc/72/59/27/589725927.db2.gz UTRFAWRAQUTWMS-FKQCQYRASA-N -1 3 243.353 2.078 20 10 BECDHM CC1(NC(=O)c2cc([O-])cs2)CC(F)(F)C1 ZINC000874852429 590146846 /nfs/dbraw/zinc/14/68/46/590146846.db2.gz JNXHRQVWKTVCNJ-UHFFFAOYSA-N -1 3 247.266 2.371 20 10 BECDHM O=C(Nc1ccccc1F)c1cccc(O)c1[O-] ZINC000126223609 590254738 /nfs/dbraw/zinc/25/47/38/590254738.db2.gz LZIRCVRLYNPZHO-UHFFFAOYSA-N -1 3 247.225 2.489 20 10 BECDHM CC1(C)C(NC(=O)c2cccc(O)c2[O-])C1(C)C ZINC000126474992 590316860 /nfs/dbraw/zinc/31/68/60/590316860.db2.gz RGHVXQIAZILMOI-UHFFFAOYSA-N -1 3 249.310 2.262 20 10 BECDHM O=C(NCCCC1CC1)c1cccc(O)c1[O-] ZINC000126567029 590350986 /nfs/dbraw/zinc/35/09/86/590350986.db2.gz QDWDSKVGXBCARC-UHFFFAOYSA-N -1 3 235.283 2.018 20 10 BECDHM CCn1cncc1CN1Cc2cccc([O-])c2C1 ZINC000877703135 590396850 /nfs/dbraw/zinc/39/68/50/590396850.db2.gz SLOVGJSIJAVQET-UHFFFAOYSA-N -1 3 243.310 2.124 20 10 BECDHM Cc1cc(CN[C@@H](C)c2ccccc2[O-])nn1C ZINC000877758037 590418028 /nfs/dbraw/zinc/41/80/28/590418028.db2.gz FWFTVQGRCFKEKA-NSHDSACASA-N -1 3 245.326 2.285 20 10 BECDHM C[C@@H]1CN(Cc2cc(Cl)ccc2[O-])CCO1 ZINC000132473686 591711398 /nfs/dbraw/zinc/71/13/98/591711398.db2.gz DWKUKKGLTNJGTP-SECBINFHSA-N -1 3 241.718 2.266 20 10 BECDHM Cc1nnc(NCc2c([O-])cccc2Cl)o1 ZINC000134428302 591926988 /nfs/dbraw/zinc/92/69/88/591926988.db2.gz CQZLKMIYLMDXMY-UHFFFAOYSA-N -1 3 239.662 2.349 20 10 BECDHM COCC1(N[C@H](C)c2c([O-])cccc2F)CC1 ZINC000886577113 592266630 /nfs/dbraw/zinc/26/66/30/592266630.db2.gz XHISYZXZGXXXGW-SECBINFHSA-N -1 3 239.290 2.361 20 10 BECDHM C[C@H]([NH2+]CCCCC(=O)[O-])c1ccccc1[O-] ZINC000820142017 597733510 /nfs/dbraw/zinc/73/35/10/597733510.db2.gz MLTNZCYOGIWMEG-JTQLQIEISA-N -1 3 237.299 2.298 20 10 BECDHM C[C@@]1(C(=O)[O-])CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000086783198 631473670 /nfs/dbraw/zinc/47/36/70/631473670.db2.gz IVWPCMDZMOHSSB-CQSZACIVSA-N -1 3 249.310 2.079 20 10 BECDHM C[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000086783198 631473674 /nfs/dbraw/zinc/47/36/74/631473674.db2.gz IVWPCMDZMOHSSB-CQSZACIVSA-N -1 3 249.310 2.079 20 10 BECDHM O=C(Nc1ccccc1O)c1cccc(O)c1[O-] ZINC000059031766 640776288 /nfs/dbraw/zinc/77/62/88/640776288.db2.gz LQXFNCGWFMOXGZ-UHFFFAOYSA-N -1 3 245.234 2.056 20 10 BECDHM CC(C)[C@@H](NC(=O)c1cccc(O)c1[O-])C1CC1 ZINC000323933842 641305502 /nfs/dbraw/zinc/30/55/02/641305502.db2.gz HDZCZAJAHKBISY-GFCCVEGCSA-N -1 3 249.310 2.262 20 10 BECDHM [O-]c1ccc(Cl)cc1CNCc1ccon1 ZINC000086452735 644138373 /nfs/dbraw/zinc/13/83/73/644138373.db2.gz NFZDNPVOCQKBED-UHFFFAOYSA-N -1 3 238.674 2.323 20 10 BECDHM O=C([O-])[C@H]1CCCCC[N@@H+]1Cc1ccccc1[O-] ZINC000086814581 644471432 /nfs/dbraw/zinc/47/14/32/644471432.db2.gz XDQGIOWDEVSSQA-GFCCVEGCSA-N -1 3 249.310 2.221 20 10 BECDHM O=C([O-])[C@H]1CCCCC[N@H+]1Cc1ccccc1[O-] ZINC000086814581 644471435 /nfs/dbraw/zinc/47/14/35/644471435.db2.gz XDQGIOWDEVSSQA-GFCCVEGCSA-N -1 3 249.310 2.221 20 10 BECDHM [O-]c1cccc(Cl)c1CN=c1cco[nH]1 ZINC000389974573 711102429 /nfs/dbraw/zinc/10/24/29/711102429.db2.gz DTSFZVVZAZCOFS-UHFFFAOYSA-N -1 3 224.647 2.068 20 10 BECDHM C[C@@H](CCC1CC1)NC(=O)c1cccc(O)c1[O-] ZINC000398144420 711403153 /nfs/dbraw/zinc/40/31/53/711403153.db2.gz BAUUROQVSGNZGH-VIFPVBQESA-N -1 3 249.310 2.406 20 10 BECDHM CCN(C(=O)c1cccc(O)c1[O-])C1CCC1 ZINC000706871388 712157852 /nfs/dbraw/zinc/15/78/52/712157852.db2.gz JLRONUPSPGRHJP-UHFFFAOYSA-N -1 3 235.283 2.112 20 10 BECDHM COc1cc([O-])c(CN2CC(F)C2)cc1Cl ZINC001232265725 977987780 /nfs/dbraw/zinc/98/77/80/977987780.db2.gz PDTMXFRVWJCOTL-UHFFFAOYSA-N -1 3 245.681 2.208 20 10 BECDHM [O-]c1ccc(F)c(F)c1CN1CCSCC1 ZINC001233332481 978563154 /nfs/dbraw/zinc/56/31/54/978563154.db2.gz MOLKZXCELABKCR-UHFFFAOYSA-N -1 3 245.294 2.219 20 10 BECDHM C[C@H]1CCN1Cc1c([O-])ccc(F)c1F ZINC001233332301 978567685 /nfs/dbraw/zinc/56/76/85/978567685.db2.gz GOZDCGKYYCSUFS-ZETCQYMHSA-N -1 3 213.227 2.265 20 10 BECDHM CC[C@@H]1C[C@H](C)CN1C(=O)c1cccc(O)c1[O-] ZINC000399645274 1169262047 /nfs/dbraw/zinc/26/20/47/1169262047.db2.gz HZNMAJDKCOOKNN-VHSXEESVSA-N -1 3 249.310 2.358 20 10 BECDHM C[C@H]1C[C@H]1c1nnc(-c2cccc(O)c2[O-])o1 ZINC001256616766 970880858 /nfs/dbraw/zinc/88/08/58/970880858.db2.gz IXPTVDSSMBMEHN-POYBYMJQSA-N -1 3 232.239 2.271 20 10 BECDHM Cc1ccc([C@@H](C)[NH2+][C@@H](C)CC(=O)[O-])c([O-])c1 ZINC001611171506 970922419 /nfs/dbraw/zinc/92/24/19/970922419.db2.gz QANVXLVQRURWPJ-VHSXEESVSA-N -1 3 237.299 2.214 20 10 BECDHM C[C@@H]1COCCN1Cc1c([O-])cccc1Cl ZINC000132607804 962460014 /nfs/dbraw/zinc/46/00/14/962460014.db2.gz RVHJHSNOMGIUQI-SECBINFHSA-N -1 3 241.718 2.266 20 10 BECDHM CCN(Cc1cc(Cl)ccc1[O-])C1COC1 ZINC001203663965 966726639 /nfs/dbraw/zinc/72/66/39/966726639.db2.gz IFSUIIRDFIYZAM-UHFFFAOYSA-N -1 3 241.718 2.266 20 10 BECDHM [O-]c1c(O)c(O)ccc1-c1nnc(C2CCC2)o1 ZINC001255161482 969971308 /nfs/dbraw/zinc/97/13/08/969971308.db2.gz NPCOSMJVZRTBMV-UHFFFAOYSA-N -1 3 248.238 2.121 20 10 BECDHM CC[C@@H]1CCC[N@@H+]1Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231452231 977593954 /nfs/dbraw/zinc/59/39/54/977593954.db2.gz HZCFVNHRXJOKGP-GFCCVEGCSA-N -1 3 249.310 2.465 20 10 BECDHM CC[C@@H]1CCC[N@H+]1Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231452231 977593961 /nfs/dbraw/zinc/59/39/61/977593961.db2.gz HZCFVNHRXJOKGP-GFCCVEGCSA-N -1 3 249.310 2.465 20 10 BECDHM C[N@H+](CCC1CC1)Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231455980 977595010 /nfs/dbraw/zinc/59/50/10/977595010.db2.gz YXTRPVVRQOAKPV-UHFFFAOYSA-N -1 3 249.310 2.322 20 10 BECDHM C[N@@H+](CCC1CC1)Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231455980 977595014 /nfs/dbraw/zinc/59/50/14/977595014.db2.gz YXTRPVVRQOAKPV-UHFFFAOYSA-N -1 3 249.310 2.322 20 10 BECDHM O=C([O-])c1ccc(C[N@@H+]2CCC[C@@H]3C[C@@H]32)c([O-])c1 ZINC001231453016 977598698 /nfs/dbraw/zinc/59/86/98/977598698.db2.gz AABOWPGHJBONGH-SKDRFNHKSA-N -1 3 247.294 2.075 20 10 BECDHM O=C([O-])c1ccc(C[N@H+]2CCC[C@@H]3C[C@@H]32)c([O-])c1 ZINC001231453016 977598706 /nfs/dbraw/zinc/59/87/06/977598706.db2.gz AABOWPGHJBONGH-SKDRFNHKSA-N -1 3 247.294 2.075 20 10 BECDHM O=C([O-])c1ccc([O-])c(C[NH+]2C3CCC2CC3)c1 ZINC001231565068 977632921 /nfs/dbraw/zinc/63/29/21/977632921.db2.gz PFTJTINGPQTLHR-UHFFFAOYSA-N -1 3 247.294 2.217 20 10 BECDHM COC1CN(Cc2cc(Cl)c(C)cc2[O-])C1 ZINC001231866381 977777115 /nfs/dbraw/zinc/77/71/15/977777115.db2.gz FXRWGUCVNKRAKB-UHFFFAOYSA-N -1 3 241.718 2.185 20 10 BECDHM C[C@@H]1CCN1Cc1c([O-])ccc(F)c1F ZINC001233332300 978565474 /nfs/dbraw/zinc/56/54/74/978565474.db2.gz GOZDCGKYYCSUFS-SSDOTTSWSA-N -1 3 213.227 2.265 20 10 BECDHM C/C=C/C=C\C(=O)NCc1c([O-])cccc1F ZINC001178410306 978567343 /nfs/dbraw/zinc/56/73/43/978567343.db2.gz QISIEHPPTWJSGA-HOJFPOIOSA-N -1 3 235.258 2.280 20 10 BECDHM [O-]c1cc(Cl)ccc1CNCC(F)F ZINC001181589931 979189628 /nfs/dbraw/zinc/18/96/28/979189628.db2.gz MXOTZNJAUXPEKG-UHFFFAOYSA-N -1 3 221.634 2.400 20 10 BECDHM CC[C@@H]([NH2+]C[C@H](C)C(=O)[O-])c1ccccc1[O-] ZINC001603586181 979480889 /nfs/dbraw/zinc/48/08/89/979480889.db2.gz UFBLHLCGIXVSKR-GXSJLCMTSA-N -1 3 237.299 2.154 20 10 BECDHM CC[C@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])C(=O)[O-] ZINC001603954697 979547918 /nfs/dbraw/zinc/54/79/18/979547918.db2.gz BZWFWINEXITSCK-XVKPBYJWSA-N -1 3 241.262 2.045 20 10 BECDHM C[C@@H]([NH2+][C@@H](C)[C@@H]1C[C@@H]1C(=O)[O-])c1ccccc1[O-] ZINC001604357518 979626814 /nfs/dbraw/zinc/62/68/14/979626814.db2.gz KZYMWQHKXYNHPU-QCZKYFFMSA-N -1 3 249.310 2.152 20 10 BECDHM Cc1ccc(C[N@@H+]([C@H](C)C(=O)[O-])C2CC2)c([O-])c1 ZINC001605273222 979847832 /nfs/dbraw/zinc/84/78/32/979847832.db2.gz QEDSJFNDDNRQNK-SNVBAGLBSA-N -1 3 249.310 2.138 20 10 BECDHM Cc1ccc(C[N@H+]([C@H](C)C(=O)[O-])C2CC2)c([O-])c1 ZINC001605273222 979847838 /nfs/dbraw/zinc/84/78/38/979847838.db2.gz QEDSJFNDDNRQNK-SNVBAGLBSA-N -1 3 249.310 2.138 20 10 BECDHM CC[C@@H]1COCCN1Cc1cccc(F)c1[O-] ZINC000160200833 982516984 /nfs/dbraw/zinc/51/69/84/982516984.db2.gz LXLUTTYAVBHROC-LLVKDONJSA-N -1 3 239.290 2.142 20 10 BECDHM CC[C@@H]([NH2+][C@H](C)CC(=O)[O-])c1ccccc1[O-] ZINC001589569549 982834681 /nfs/dbraw/zinc/83/46/81/982834681.db2.gz XEKPGPAQRYCGSW-MWLCHTKSSA-N -1 3 237.299 2.296 20 10 BECDHM C/C=C/C[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001594685982 987059655 /nfs/dbraw/zinc/05/96/55/987059655.db2.gz KHXACJWJYLBLRN-CDAZIORVSA-N -1 3 235.283 2.317 20 10 BECDHM [O-]c1cccc(F)c1CN1CC[C@H](F)C1 ZINC001137833226 990853484 /nfs/dbraw/zinc/85/34/84/990853484.db2.gz XPEHYYOTFOCOMO-QMMMGPOBSA-N -1 3 213.227 2.075 20 10 BECDHM CN(C(=O)c1cccc(O)c1[O-])c1ccsc1 ZINC001557260778 990881604 /nfs/dbraw/zinc/88/16/04/990881604.db2.gz ACMREJHSAYSGAZ-UHFFFAOYSA-N -1 3 249.291 2.436 20 10 BECDHM CCN(CCOC)Cc1c(F)ccc(F)c1[O-] ZINC001139683818 991312523 /nfs/dbraw/zinc/31/25/23/991312523.db2.gz FEXGDEMAQXMAIN-UHFFFAOYSA-N -1 3 245.269 2.139 20 10 BECDHM [O-]c1c(F)ccc(F)c1CN1CCCC1 ZINC001139679891 991313622 /nfs/dbraw/zinc/31/36/22/991313622.db2.gz YOMHKQPBLQWZSL-UHFFFAOYSA-N -1 3 213.227 2.266 20 10 BECDHM [O-]c1ccc(F)cc1CN1C[C@@H](F)C[C@H]1CF ZINC001140058418 991509033 /nfs/dbraw/zinc/50/90/33/991509033.db2.gz YLVDPAMGEUOFSS-QWRGUYRKSA-N -1 3 245.244 2.413 20 10 BECDHM [O-]c1cc(Cl)ccc1CN1CCO[C@@H]2C[C@@H]21 ZINC001140464633 991644259 /nfs/dbraw/zinc/64/42/59/991644259.db2.gz YEVDMBPYMDLOAQ-CMPLNLGQSA-N -1 3 239.702 2.019 20 10 BECDHM C[C@@H]([NH2+]CCCF)c1cc(C(=O)[O-])ccc1[O-] ZINC001593264147 994562872 /nfs/dbraw/zinc/56/28/72/994562872.db2.gz FZNRWUSXYMQBDA-MRVPVSSYSA-N -1 3 241.262 2.101 20 10 BECDHM C[C@H]([NH2+]C[C@H]1C[C@H]1C)c1cc(C(=O)[O-])ccc1[O-] ZINC001609779181 1170288730 /nfs/dbraw/zinc/28/87/30/1170288730.db2.gz OWUGGSIWBADCGZ-WCABBAIRSA-N -1 3 249.310 2.397 20 10 BECDHM Cc1ccc(C(=O)N2CCC[C@@H]2C)c([O-])c1O ZINC000182530211 178389648 /nfs/dbraw/zinc/38/96/48/178389648.db2.gz VNXFXBLZVBKENG-VIFPVBQESA-N -1 3 235.283 2.031 20 10 BECDHM CCN(Cc1ccccc1[O-])CC(F)F ZINC000184091235 347917805 /nfs/dbraw/zinc/91/78/05/347917805.db2.gz QVEIRBUCGGZXRP-UHFFFAOYSA-N -1 3 215.243 2.479 20 10 BECDHM O=C(NC1CCCCC1)c1cccc(O)c1[O-] ZINC000072112603 182114226 /nfs/dbraw/zinc/11/42/26/182114226.db2.gz NDCZAUHBHXSZKM-UHFFFAOYSA-N -1 3 235.283 2.160 20 10 BECDHM CCCN(C(=O)c1ccc(C)c(O)c1[O-])C1CC1 ZINC000182380189 169046058 /nfs/dbraw/zinc/04/60/58/169046058.db2.gz DZPAUNBIFTZYEJ-UHFFFAOYSA-N -1 3 249.310 2.421 20 10 BECDHM [O-]c1cc(F)c(Cl)cc1CNCCF ZINC000294674878 183258798 /nfs/dbraw/zinc/25/87/98/183258798.db2.gz MJBMPUSGQSQFIH-UHFFFAOYSA-N -1 3 221.634 2.244 20 10 BECDHM CCCN(CCC)C(=O)c1cccc(O)c1[O-] ZINC000126195548 169146151 /nfs/dbraw/zinc/14/61/51/169146151.db2.gz WMRFWGYQTNHBTF-UHFFFAOYSA-N -1 3 237.299 2.360 20 10 BECDHM [O-]c1cccc(Cl)c1CNCC(F)F ZINC000147359151 183292693 /nfs/dbraw/zinc/29/26/93/183292693.db2.gz QFAHAAUXZRBOOE-UHFFFAOYSA-N -1 3 221.634 2.400 20 10 BECDHM [O-]c1cccc(Cl)c1CN1CCO[C@@H]2C[C@@H]21 ZINC000366559471 183293282 /nfs/dbraw/zinc/29/32/82/183293282.db2.gz NJBPBPHBRVHYAJ-CMPLNLGQSA-N -1 3 239.702 2.019 20 10 BECDHM CN(Cc1c([O-])cccc1Cl)[C@@H]1CCOC1 ZINC000132773256 384250886 /nfs/dbraw/zinc/25/08/86/384250886.db2.gz OZBPXOUEZROVPA-SECBINFHSA-N -1 3 241.718 2.266 20 10 BECDHM O=C(NC(C1CC1)C1CC1)c1cccc(O)c1[O-] ZINC000126307725 384788443 /nfs/dbraw/zinc/78/84/43/384788443.db2.gz JSHYTMUUJQBKAG-UHFFFAOYSA-N -1 3 247.294 2.016 20 10 BECDHM CC[C@@H](NCC(F)(F)CO)c1ccccc1[O-] ZINC000186420733 384841338 /nfs/dbraw/zinc/84/13/38/384841338.db2.gz TYPWATGUQZDLSY-SNVBAGLBSA-N -1 3 245.269 2.061 20 10 BECDHM C[C@@H]1OCCN(Cc2cccc(F)c2[O-])[C@H]1C ZINC000272287910 385166090 /nfs/dbraw/zinc/16/60/90/385166090.db2.gz NTFOCUYGTNCSCZ-UWVGGRQHSA-N -1 3 239.290 2.141 20 10 BECDHM Cc1ccc(C(=O)NC2(C)CCC2)c([O-])c1O ZINC000182902683 385718196 /nfs/dbraw/zinc/71/81/96/385718196.db2.gz OOYOAZRQTUXFON-UHFFFAOYSA-N -1 3 235.283 2.079 20 10 BECDHM Cc1ccc(C(=O)N[C@H]2CCC2(C)C)c([O-])c1O ZINC000287415743 386119941 /nfs/dbraw/zinc/11/99/41/386119941.db2.gz ZRUFIKICEGXKEX-JTQLQIEISA-N -1 3 249.310 2.325 20 10 BECDHM CN(CCCCO)Cc1c([O-])cccc1Cl ZINC000276648159 386360519 /nfs/dbraw/zinc/36/05/19/386360519.db2.gz LXCUBLFTQHXRSX-UHFFFAOYSA-N -1 3 243.734 2.250 20 10 BECDHM CN(CCF)Cc1cccc(Cl)c1[O-] ZINC000293685726 386862072 /nfs/dbraw/zinc/86/20/72/386862072.db2.gz QCNFHTJKFUWNIR-UHFFFAOYSA-N -1 3 217.671 2.447 20 10 BECDHM [O-]c1cccc(F)c1CNc1cnc(F)cn1 ZINC001651438690 1172952692 /nfs/dbraw/zinc/95/26/92/1172952692.db2.gz PLIHACCXUDVFFX-UHFFFAOYSA-N -1 3 237.209 2.073 20 10 BECDHM CCOC1CN(Cc2c([O-])cccc2Cl)C1 ZINC000297319839 170336067 /nfs/dbraw/zinc/33/60/67/170336067.db2.gz CQDWICXSMCAURT-UHFFFAOYSA-N -1 3 241.718 2.266 20 10 BECDHM Cc1cc(NCc2c([O-])cccc2F)ncn1 ZINC001652252088 1173051313 /nfs/dbraw/zinc/05/13/13/1173051313.db2.gz HEVYKWKHUOCMLY-UHFFFAOYSA-N -1 3 233.246 2.242 20 10 BECDHM C=C/C=C/CC(=O)NCc1c([O-])cccc1F ZINC001652298937 1173057408 /nfs/dbraw/zinc/05/74/08/1173057408.db2.gz VQVLDGQTPDMKFF-ONEGZZNKSA-N -1 3 235.258 2.280 20 10 BECDHM C[C@@H]1CCCC[C@H]1NC(=O)c1cccc(O)c1[O-] ZINC000126224299 176087384 /nfs/dbraw/zinc/08/73/84/176087384.db2.gz DFOOMUPIFJVAQV-MWLCHTKSSA-N -1 3 249.310 2.406 20 10 BECDHM C[C@@H]1CCC[C@@H]1NC(=O)c1cccc(O)c1[O-] ZINC000126407364 176131151 /nfs/dbraw/zinc/13/11/51/176131151.db2.gz HLZMZSHJOVYCDE-SCZZXKLOSA-N -1 3 235.283 2.016 20 10 BECDHM C[C@@H]1CCC[C@H](NC(=O)c2cccc(O)c2[O-])C1 ZINC000126248965 176143468 /nfs/dbraw/zinc/14/34/68/176143468.db2.gz NOGMZBIXBAVTEU-ZJUUUORDSA-N -1 3 249.310 2.406 20 10 BECDHM C[C@@H]1CCN(C(=O)c2cccc(O)c2[O-])C[C@@H]1C ZINC000126563582 176163480 /nfs/dbraw/zinc/16/34/80/176163480.db2.gz LYYRGGKLQHJJSJ-ZJUUUORDSA-N -1 3 249.310 2.216 20 10 BECDHM C[C@H]1CCCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000280609049 177071721 /nfs/dbraw/zinc/07/17/21/177071721.db2.gz YXVFLVHLSYSELW-JTQLQIEISA-N -1 3 249.310 2.360 20 10 BECDHM C[C@H]1CCCCN1C(=O)c1cccc(O)c1[O-] ZINC000126190376 177074285 /nfs/dbraw/zinc/07/42/85/177074285.db2.gz BLXAYKJBVHNUJV-VIFPVBQESA-N -1 3 235.283 2.112 20 10 BECDHM C[C@H]1C[C@H](C)CN(C(=O)c2cccc(O)c2[O-])C1 ZINC000126228478 177357754 /nfs/dbraw/zinc/35/77/54/177357754.db2.gz JSAWDNVWMMMACE-UWVGGRQHSA-N -1 3 249.310 2.216 20 10 BECDHM CC1(NC(=O)c2cc([O-])cs2)CC=CC1 ZINC000855046826 588821645 /nfs/dbraw/zinc/82/16/45/588821645.db2.gz PKHXFHZBYUZZMA-UHFFFAOYSA-N -1 3 223.297 2.292 20 10 BECDHM CC(C)(F)CCNC(=O)c1cc([O-])cs1 ZINC000855745046 588846674 /nfs/dbraw/zinc/84/66/74/588846674.db2.gz BIHAESRZPHROFW-UHFFFAOYSA-N -1 3 231.292 2.322 20 10 BECDHM O=C(N[C@@H]1C[C@@H]2CCC[C@H]12)c1cccc(O)c1[O-] ZINC000889603242 583529200 /nfs/dbraw/zinc/52/92/00/583529200.db2.gz MYXOBDQBKDWKGF-ATZCPNFKSA-N -1 3 247.294 2.016 20 10 BECDHM O=C(N[C@@H]1C[C@@H]2CCC[C@@H]12)c1cccc(O)c1[O-] ZINC000889603244 583530084 /nfs/dbraw/zinc/53/00/84/583530084.db2.gz MYXOBDQBKDWKGF-IQJOONFLSA-N -1 3 247.294 2.016 20 10 BECDHM Cc1ccc(CN2CC(OC(C)C)C2)c([O-])c1 ZINC000895956832 583752436 /nfs/dbraw/zinc/75/24/36/583752436.db2.gz VXEVLAQOJFATMV-UHFFFAOYSA-N -1 3 235.327 2.310 20 10 BECDHM COCC1CN(Cc2cccc(Cl)c2[O-])C1 ZINC000895971937 583756394 /nfs/dbraw/zinc/75/63/94/583756394.db2.gz YCNZFIIJOHBYAS-UHFFFAOYSA-N -1 3 241.718 2.124 20 10 BECDHM [O-]c1ccc(F)cc1CN1CCn2cccc2C1 ZINC000896761427 583831341 /nfs/dbraw/zinc/83/13/41/583831341.db2.gz NXHULZDTZYDFSC-UHFFFAOYSA-N -1 3 246.285 2.349 20 10 BECDHM Cc1cccc(NC(=O)c2cc([O-])cs2)n1 ZINC000731864177 584929807 /nfs/dbraw/zinc/92/98/07/584929807.db2.gz NCBKGJDJAKQIPT-UHFFFAOYSA-N -1 3 234.280 2.409 20 10 BECDHM C[C@@H]1CCCN(C(=O)c2cc([O-])cs2)C1 ZINC000731864475 584929832 /nfs/dbraw/zinc/92/98/32/584929832.db2.gz XEPSNPHVUNQWJZ-MRVPVSSYSA-N -1 3 225.313 2.326 20 10 BECDHM O=C(NCc1ccccc1O)c1cc([O-])cs1 ZINC000731872485 584929997 /nfs/dbraw/zinc/92/99/97/584929997.db2.gz MQZGSITZKINLTK-UHFFFAOYSA-N -1 3 249.291 2.089 20 10 BECDHM O=C(NC(C1CC1)C1CC1)c1cc([O-])cs1 ZINC000732268943 584934943 /nfs/dbraw/zinc/93/49/43/584934943.db2.gz TXNHTPWIWMYQGH-UHFFFAOYSA-N -1 3 237.324 2.372 20 10 BECDHM CCN(C(=O)c1cc([O-])cs1)C(C)C ZINC000732274950 584935269 /nfs/dbraw/zinc/93/52/69/584935269.db2.gz OMRZJYRDNXDWGS-UHFFFAOYSA-N -1 3 213.302 2.324 20 10 BECDHM O=C(N[C@@H]1CC=CCC1)c1cc([O-])cs1 ZINC000736710690 585010035 /nfs/dbraw/zinc/01/00/35/585010035.db2.gz JRPNUUIVYVPVDD-MRVPVSSYSA-N -1 3 223.297 2.292 20 10 BECDHM COC1CN(Cc2ccc3ccccc3c2[O-])C1 ZINC000839131317 585093815 /nfs/dbraw/zinc/09/38/15/585093815.db2.gz RNBKGVKREGPMSE-UHFFFAOYSA-N -1 3 243.306 2.376 20 10 BECDHM [O-]c1ccc(F)cc1CN1CC2(CC(F)C2)C1 ZINC000839140378 585094629 /nfs/dbraw/zinc/09/46/29/585094629.db2.gz QDFYDEZCKNJAAC-UHFFFAOYSA-N -1 3 239.265 2.465 20 10 BECDHM CCOCCCOC(=O)c1cc([O-])cs1 ZINC000745003082 585155258 /nfs/dbraw/zinc/15/52/58/585155258.db2.gz WGOVTFJZZVVMCR-UHFFFAOYSA-N -1 3 230.285 2.037 20 10 BECDHM C[C@H]1CN(C(=O)c2cc([O-])cs2)C[C@H]1C ZINC000752808528 585250399 /nfs/dbraw/zinc/25/03/99/585250399.db2.gz VPYRWWQGXMROQI-OCAPTIKFSA-N -1 3 225.313 2.182 20 10 BECDHM Cc1ccnc(CN(C)Cc2ccccc2[O-])n1 ZINC000756585753 585321737 /nfs/dbraw/zinc/32/17/37/585321737.db2.gz LERVKXACUIXVMF-UHFFFAOYSA-N -1 3 243.310 2.123 20 10 BECDHM CC1=CCN(C(=O)c2cc([O-])cs2)CC1 ZINC000756811051 585323778 /nfs/dbraw/zinc/32/37/78/585323778.db2.gz VMHYDOKCSHMEJB-UHFFFAOYSA-N -1 3 223.297 2.246 20 10 BECDHM CN(Cc1c([O-])cccc1Cl)C1CC(O)C1 ZINC000761223427 585412368 /nfs/dbraw/zinc/41/23/68/585412368.db2.gz QYBNFPDXRPMHLT-UHFFFAOYSA-N -1 3 241.718 2.001 20 10 BECDHM Cc1cc(CN(C)Cc2ccccc2[O-])nn1C ZINC000767901783 585527812 /nfs/dbraw/zinc/52/78/12/585527812.db2.gz XVHWPYGNLOOXNJ-UHFFFAOYSA-N -1 3 245.326 2.066 20 10 BECDHM C[C@@]1(O)CCN(Cc2c([O-])cccc2Cl)C1 ZINC000769543271 585559440 /nfs/dbraw/zinc/55/94/40/585559440.db2.gz LSWCSAROSCOBNV-GFCCVEGCSA-N -1 3 241.718 2.002 20 10 BECDHM Cc1ccc(C(=O)NC2(C)CCCC2)c([O-])c1O ZINC000770486537 585574762 /nfs/dbraw/zinc/57/47/62/585574762.db2.gz GCHSJTMMEFIWKG-UHFFFAOYSA-N -1 3 249.310 2.469 20 10 BECDHM CCCCOCCOC(=O)c1cc([O-])cs1 ZINC000805450049 585599746 /nfs/dbraw/zinc/59/97/46/585599746.db2.gz PQAWZURDHLVHLH-UHFFFAOYSA-N -1 3 244.312 2.427 20 10 BECDHM CCOc1ccc(CNCC(F)(F)F)c([O-])c1 ZINC000789564119 585944016 /nfs/dbraw/zinc/94/40/16/585944016.db2.gz SDYGHILNCICOCP-UHFFFAOYSA-N -1 3 249.232 2.443 20 10 BECDHM O=C(c1cc([O-])cs1)N1CCC(F)(F)CC1 ZINC000796126375 586097806 /nfs/dbraw/zinc/09/78/06/586097806.db2.gz WQKUIVQAZNAHTR-UHFFFAOYSA-N -1 3 247.266 2.325 20 10 BECDHM C[C@@H]1C[C@@H](NC(=O)c2cc([O-])cs2)CS1 ZINC000839828889 586129177 /nfs/dbraw/zinc/12/91/77/586129177.db2.gz FHEMAILYCOXZSN-RNFRBKRXSA-N -1 3 243.353 2.078 20 10 BECDHM O=C(N[C@@H]1CCCC1(F)F)c1cc([O-])cs1 ZINC000807854475 586449846 /nfs/dbraw/zinc/44/98/46/586449846.db2.gz YVTMRDTUDSIDEP-MRVPVSSYSA-N -1 3 247.266 2.371 20 10 BECDHM Cc1cc([O-])c(CNCCF)cc1Cl ZINC000825756641 587337576 /nfs/dbraw/zinc/33/75/76/587337576.db2.gz AGWLTAKUXGUQJC-UHFFFAOYSA-N -1 3 217.671 2.413 20 10 BECDHM C[C@H](NCc1cc(F)ccc1[O-])c1nccn1C ZINC000827722854 587399537 /nfs/dbraw/zinc/39/95/37/587399537.db2.gz XXBGDINWWCOPKV-VIFPVBQESA-N -1 3 249.289 2.116 20 10 BECDHM Cc1ccc(C(=O)N(C)C(C)(C)C)c([O-])c1O ZINC000844091101 588166689 /nfs/dbraw/zinc/16/66/89/588166689.db2.gz LSIQTXANRCPPDG-UHFFFAOYSA-N -1 3 237.299 2.277 20 10 BECDHM C[C@@H]1C[C@@H]1C(=O)NCc1cc(Cl)ccc1[O-] ZINC000846478878 588267201 /nfs/dbraw/zinc/26/72/01/588267201.db2.gz GNDHONRPEOPPNK-XCBNKYQSSA-N -1 3 239.702 2.318 20 10 BECDHM O=C(c1cc([O-])cs1)N1CCC[C@H](F)C1 ZINC000846662580 588281325 /nfs/dbraw/zinc/28/13/25/588281325.db2.gz TYCLQMHDCIJUMQ-ZETCQYMHSA-N -1 3 229.276 2.028 20 10 BECDHM CC(=O)[C@@H](C)CCOC(=O)c1cc([O-])cs1 ZINC000849728685 588490688 /nfs/dbraw/zinc/49/06/88/588490688.db2.gz WTJPRTLRCOCDCH-ZETCQYMHSA-N -1 3 242.296 2.226 20 10 BECDHM CCCC(=O)NCc1ccc2cccnc2c1[O-] ZINC000862028584 589190316 /nfs/dbraw/zinc/19/03/16/589190316.db2.gz DRNUFTKBMWPUNR-UHFFFAOYSA-N -1 3 244.294 2.357 20 10 BECDHM C[C@H]1OCC[C@H]1COC(=O)c1cc([O-])cs1 ZINC000869394820 589603410 /nfs/dbraw/zinc/60/34/10/589603410.db2.gz WBBOZIZBTBMHJS-SFYZADRCSA-N -1 3 242.296 2.036 20 10 BECDHM CC1(F)CCN(C(=O)c2cc([O-])cs2)CC1 ZINC000871075573 589721220 /nfs/dbraw/zinc/72/12/20/589721220.db2.gz GAYSEJVBJMSQPL-UHFFFAOYSA-N -1 3 243.303 2.418 20 10 BECDHM O=C1[N-]C(=O)C(=Cc2cc(F)cc(F)c2)S1 ZINC000874928067 590153501 /nfs/dbraw/zinc/15/35/01/590153501.db2.gz JSNSJKHXOJXPII-FPYGCLRLSA-N -1 3 241.218 2.289 20 10 BECDHM Cc1ccc(CN(C)Cc2ccon2)c([O-])c1 ZINC000876754907 590239074 /nfs/dbraw/zinc/23/90/74/590239074.db2.gz HOCUMELXIOQTMA-UHFFFAOYSA-N -1 3 232.283 2.321 20 10 BECDHM Cc1cccnc1NC(=O)c1cccc(O)c1[O-] ZINC000126187400 590246358 /nfs/dbraw/zinc/24/63/58/590246358.db2.gz NYLMKPWEPHTAHX-UHFFFAOYSA-N -1 3 244.250 2.054 20 10 BECDHM Cc1noc([C@H](C)NCc2ccc(C)cc2[O-])n1 ZINC000877470970 590334757 /nfs/dbraw/zinc/33/47/57/590334757.db2.gz ONBSTNPTRVGZNU-VIFPVBQESA-N -1 3 247.298 2.243 20 10 BECDHM Cc1noc([C@H](C)NCc2c(C)cccc2[O-])n1 ZINC000877470616 590334855 /nfs/dbraw/zinc/33/48/55/590334855.db2.gz KYHGRLUEDHCPCQ-VIFPVBQESA-N -1 3 247.298 2.243 20 10 BECDHM Cc1noc(CN(C)Cc2c(C)cccc2[O-])n1 ZINC000877618706 590376476 /nfs/dbraw/zinc/37/64/76/590376476.db2.gz CQCOYXHVGXYKIW-UHFFFAOYSA-N -1 3 247.298 2.024 20 10 BECDHM Cc1nnc([C@H](C)N[C@@H](C)c2ccccc2[O-])o1 ZINC000879651852 590843485 /nfs/dbraw/zinc/84/34/85/590843485.db2.gz MXRQGGXYAKRXST-IUCAKERBSA-N -1 3 247.298 2.495 20 10 BECDHM C[C@H](NCc1cnsn1)c1ccccc1[O-] ZINC000879650313 590843834 /nfs/dbraw/zinc/84/38/34/590843834.db2.gz SXGPMUYKQIQCON-QMMMGPOBSA-N -1 3 235.312 2.095 20 10 BECDHM [O-]c1cccc(Cl)c1CN1CCC[C@H](O)C1 ZINC000127988454 590864057 /nfs/dbraw/zinc/86/40/57/590864057.db2.gz JPVYURLZZLFOOO-VIFPVBQESA-N -1 3 241.718 2.002 20 10 BECDHM O=C(c1cc([O-])cs1)N1CCC[C@H](CF)C1 ZINC000881594551 591249909 /nfs/dbraw/zinc/24/99/09/591249909.db2.gz DUGLCGBDHBQPTG-MRVPVSSYSA-N -1 3 243.303 2.275 20 10 BECDHM C[C@@H]1COCCN1Cc1cc(Cl)ccc1[O-] ZINC000132604804 591724200 /nfs/dbraw/zinc/72/42/00/591724200.db2.gz ZXYRHLGOQUGGMH-SECBINFHSA-N -1 3 241.718 2.266 20 10 BECDHM C[C@@H](NCc1nccn1C)c1c([O-])cccc1F ZINC000886522974 592243557 /nfs/dbraw/zinc/24/35/57/592243557.db2.gz UNGQZBYGQOJRSO-SECBINFHSA-N -1 3 249.289 2.116 20 10 BECDHM C[C@H](NCc1nccn1C)c1c([O-])cccc1F ZINC000886522975 592244562 /nfs/dbraw/zinc/24/45/62/592244562.db2.gz UNGQZBYGQOJRSO-VIFPVBQESA-N -1 3 249.289 2.116 20 10 BECDHM Cc1n[nH]cc1CN[C@H](C)c1c([O-])cccc1F ZINC000886550374 592258397 /nfs/dbraw/zinc/25/83/97/592258397.db2.gz YOBLTPMEGHCRQC-SECBINFHSA-N -1 3 249.289 2.414 20 10 BECDHM COCC1(N[C@@H](C)c2c([O-])cccc2F)CC1 ZINC000886577114 592266988 /nfs/dbraw/zinc/26/69/88/592266988.db2.gz XHISYZXZGXXXGW-VIFPVBQESA-N -1 3 239.290 2.361 20 10 BECDHM CO[C@@]1(C)C[C@H]1N[C@@H](C)c1c([O-])cccc1F ZINC000886640034 592286474 /nfs/dbraw/zinc/28/64/74/592286474.db2.gz PUXNFJKECLBQRE-KDDOJWQBSA-N -1 3 239.290 2.359 20 10 BECDHM O=C([O-])C1CCC([NH2+]Cc2ccccc2[O-])CC1 ZINC000086735363 600007363 /nfs/dbraw/zinc/00/73/63/600007363.db2.gz YSANIVWXEZXVOZ-UHFFFAOYSA-N -1 3 249.310 2.125 20 10 BECDHM CC[C@@](C)(CC(=O)[O-])[NH2+]Cc1ccccc1[O-] ZINC000828665473 601431816 /nfs/dbraw/zinc/43/18/16/601431816.db2.gz SQBGPLSDSOPUGL-ZDUSSCGKSA-N -1 3 237.299 2.125 20 10 BECDHM O=[N+]([O-])c1cc(Cl)cc(CNCCF)c1[O-] ZINC000309496017 633930119 /nfs/dbraw/zinc/93/01/19/633930119.db2.gz KFJXMVAQZYWOAI-UHFFFAOYSA-N -1 3 248.641 2.013 20 10 BECDHM [O-]c1ccc(F)cc1CNC1(C(F)F)CC1 ZINC000309511654 633940924 /nfs/dbraw/zinc/94/09/24/633940924.db2.gz PPWABUUPUFLESU-UHFFFAOYSA-N -1 3 231.217 2.419 20 10 BECDHM O=C(Nc1ccsc1)c1cccc(O)c1[O-] ZINC000163275536 636352794 /nfs/dbraw/zinc/35/27/94/636352794.db2.gz QQBWYQSIWFJJHO-UHFFFAOYSA-N -1 3 235.264 2.412 20 10 BECDHM Cn1ccc(NCc2c([O-])cccc2Cl)n1 ZINC000151294993 640357989 /nfs/dbraw/zinc/35/79/89/640357989.db2.gz MIRJQTSSLNUUPP-UHFFFAOYSA-N -1 3 237.690 2.391 20 10 BECDHM O=C(NCc1c([O-])cccc1F)OCC1CC1 ZINC000921452473 642625784 /nfs/dbraw/zinc/62/57/84/642625784.db2.gz QGRKMORIVMZHBL-UHFFFAOYSA-N -1 3 239.246 2.168 20 10 BECDHM C[C@]1(C(=O)[O-])CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000086783194 644181856 /nfs/dbraw/zinc/18/18/56/644181856.db2.gz IVWPCMDZMOHSSB-AWEZNQCLSA-N -1 3 249.310 2.079 20 10 BECDHM C[C@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000086783194 644181860 /nfs/dbraw/zinc/18/18/60/644181860.db2.gz IVWPCMDZMOHSSB-AWEZNQCLSA-N -1 3 249.310 2.079 20 10 BECDHM CC(C)[C@@]1(C)C[C@H]1NC(=O)c1cccc(O)c1[O-] ZINC000397229614 711379324 /nfs/dbraw/zinc/37/93/24/711379324.db2.gz LKQDDTLAJPTPAG-BXUZGUMPSA-N -1 3 249.310 2.262 20 10 BECDHM O=C(NCc1c([O-])cccc1F)[C@H]1C[C@H]2C[C@H]2C1 ZINC000928710148 711786225 /nfs/dbraw/zinc/78/62/25/711786225.db2.gz HNXARSJCLRPXBE-MYJAWHEDSA-N -1 3 249.285 2.194 20 10 BECDHM O=C(N[C@@H]1CC12CCCC2)c1cccc(O)c1[O-] ZINC000387336214 711788212 /nfs/dbraw/zinc/78/82/12/711788212.db2.gz SQTRFTIQNCQAST-LLVKDONJSA-N -1 3 247.294 2.160 20 10 BECDHM CC[C@@](C)(NC(=O)c1cccc(O)c1[O-])C1CC1 ZINC000701165195 712017101 /nfs/dbraw/zinc/01/71/01/712017101.db2.gz PIWQUFJWIMQSGD-CQSZACIVSA-N -1 3 249.310 2.406 20 10 BECDHM O=C(NC1(C2CC2)CCC1)c1cccc(O)c1[O-] ZINC000717888702 712731206 /nfs/dbraw/zinc/73/12/06/712731206.db2.gz QOOFYCOJWBEVJO-UHFFFAOYSA-N -1 3 247.294 2.160 20 10 BECDHM O=C([O-])CC[N@@H+](Cc1ccccc1[O-])CC1CC1 ZINC000717244339 1166628717 /nfs/dbraw/zinc/62/87/17/1166628717.db2.gz WPOCJYYRMCHMCM-UHFFFAOYSA-N -1 3 249.310 2.079 20 10 BECDHM O=C([O-])CC[N@H+](Cc1ccccc1[O-])CC1CC1 ZINC000717244339 1166628721 /nfs/dbraw/zinc/62/87/21/1166628721.db2.gz WPOCJYYRMCHMCM-UHFFFAOYSA-N -1 3 249.310 2.079 20 10 BECDHM CC1CN(Cc2c([O-])ccc(F)c2F)C1 ZINC001233332072 978560635 /nfs/dbraw/zinc/56/06/35/978560635.db2.gz XRLLRYHMTBLOPV-UHFFFAOYSA-N -1 3 213.227 2.122 20 10 BECDHM [O-]c1cc(F)c(F)cc1CN1CC=CC1 ZINC001142508561 961463280 /nfs/dbraw/zinc/46/32/80/961463280.db2.gz CVLHYEAKIFCFLE-UHFFFAOYSA-N -1 3 211.211 2.042 20 10 BECDHM CN(CCF)Cc1cc(F)c(F)cc1[O-] ZINC001142534657 964375146 /nfs/dbraw/zinc/37/51/46/964375146.db2.gz QZYBDOGQNVHYBA-UHFFFAOYSA-N -1 3 219.206 2.072 20 10 BECDHM [O-]c1ccc(Cl)cc1CN1CCCO1 ZINC001203651105 966720171 /nfs/dbraw/zinc/72/01/71/966720171.db2.gz IZWIXOVRMBZUAO-UHFFFAOYSA-N -1 3 213.664 2.183 20 10 BECDHM C[C@H](CC(=O)[O-])[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC001609888536 970587361 /nfs/dbraw/zinc/58/73/61/970587361.db2.gz MWGXGEVHMJMNGI-SFYZADRCSA-N -1 3 241.262 2.045 20 10 BECDHM CC[N@H+](Cc1ccc(C(=O)[O-])cc1[O-])C1CC1 ZINC001231447229 977591739 /nfs/dbraw/zinc/59/17/39/977591739.db2.gz QAUMYETYJHPKIM-UHFFFAOYSA-N -1 3 235.283 2.075 20 10 BECDHM CC[N@@H+](Cc1ccc(C(=O)[O-])cc1[O-])C1CC1 ZINC001231447229 977591742 /nfs/dbraw/zinc/59/17/42/977591742.db2.gz QAUMYETYJHPKIM-UHFFFAOYSA-N -1 3 235.283 2.075 20 10 BECDHM CC1CC([N@H+](C)Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231446835 977592555 /nfs/dbraw/zinc/59/25/55/977592555.db2.gz LMRUWNMBOPGDGZ-UHFFFAOYSA-N -1 3 249.310 2.321 20 10 BECDHM CC1CC([N@@H+](C)Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231446835 977592565 /nfs/dbraw/zinc/59/25/65/977592565.db2.gz LMRUWNMBOPGDGZ-UHFFFAOYSA-N -1 3 249.310 2.321 20 10 BECDHM Cc1ccc(C[N@@H+]2[C@H](C)CC[C@@H]2C(=O)[O-])c([O-])c1 ZINC001594358649 977631168 /nfs/dbraw/zinc/63/11/68/977631168.db2.gz NGDAEPYTWUBVHS-ZYHUDNBSSA-N -1 3 249.310 2.138 20 10 BECDHM Cc1ccc(C[N@H+]2[C@H](C)CC[C@@H]2C(=O)[O-])c([O-])c1 ZINC001594358649 977631177 /nfs/dbraw/zinc/63/11/77/977631177.db2.gz NGDAEPYTWUBVHS-ZYHUDNBSSA-N -1 3 249.310 2.138 20 10 BECDHM CC1CC([N@H+](C)Cc2cc(C(=O)[O-])ccc2[O-])C1 ZINC001231561398 977632807 /nfs/dbraw/zinc/63/28/07/977632807.db2.gz UIGWBHYWGKGYNZ-UHFFFAOYSA-N -1 3 249.310 2.321 20 10 BECDHM CC1CC([N@@H+](C)Cc2cc(C(=O)[O-])ccc2[O-])C1 ZINC001231561398 977632815 /nfs/dbraw/zinc/63/28/15/977632815.db2.gz UIGWBHYWGKGYNZ-UHFFFAOYSA-N -1 3 249.310 2.321 20 10 BECDHM COc1ccc(CN2CCC2)c([O-])c1Cl ZINC001236806289 979738241 /nfs/dbraw/zinc/73/82/41/979738241.db2.gz TXJHNOLUISXGOY-UHFFFAOYSA-N -1 3 227.691 2.260 20 10 BECDHM [O-]c1cc(Cl)c(F)cc1CN1CCC1 ZINC001237947996 980116424 /nfs/dbraw/zinc/11/64/24/980116424.db2.gz XAUUETPMTQMQPX-UHFFFAOYSA-N -1 3 215.655 2.390 20 10 BECDHM C/C(=C\C[NH2+][C@H](C)c1ccccc1[O-])C(=O)[O-] ZINC001588982827 984960779 /nfs/dbraw/zinc/96/07/79/984960779.db2.gz ZXMIFUDGWRBMEZ-TTZKWOQHSA-N -1 3 235.283 2.074 20 10 BECDHM [O-]c1c(O)cc(-c2nnc(C3CCC3)o2)cc1O ZINC001255160744 986831657 /nfs/dbraw/zinc/83/16/57/986831657.db2.gz CWDGJTKKTIGHHO-UHFFFAOYSA-N -1 3 248.238 2.121 20 10 BECDHM COC1(C)CN(Cc2ccc(Cl)cc2[O-])C1 ZINC001140461756 991643569 /nfs/dbraw/zinc/64/35/69/991643569.db2.gz SWLYTMYUMJPQEW-UHFFFAOYSA-N -1 3 241.718 2.266 20 10 BECDHM CCOC1CN(Cc2ccc(Cl)cc2[O-])C1 ZINC001140461369 991643895 /nfs/dbraw/zinc/64/38/95/991643895.db2.gz JLWDEEQUFKPKRK-UHFFFAOYSA-N -1 3 241.718 2.266 20 10 BECDHM C[C@H]([NH2+]C1CCC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593221945 994327921 /nfs/dbraw/zinc/32/79/21/994327921.db2.gz DLWOUUJEPYBEDU-QMMMGPOBSA-N -1 3 235.283 2.294 20 10 BECDHM Cc1[nH]ccc1C(=O)NCc1c([O-])cccc1F ZINC001303877802 995177668 /nfs/dbraw/zinc/17/76/68/995177668.db2.gz HYMLAWNNCBWINA-UHFFFAOYSA-N -1 3 248.257 2.098 20 10 BECDHM Cc1ccc(C(=O)N2CCCC[C@@H]2C)c([O-])c1O ZINC000179386573 178385067 /nfs/dbraw/zinc/38/50/67/178385067.db2.gz AMZPVECLXAPVBK-JTQLQIEISA-N -1 3 249.310 2.421 20 10 BECDHM Cc1ccc(C(=O)N2CC[C@H](C)[C@H]2C)c([O-])c1O ZINC000182558010 178397218 /nfs/dbraw/zinc/39/72/18/178397218.db2.gz WWCMDGXTTJKNJP-WCBMZHEXSA-N -1 3 249.310 2.277 20 10 BECDHM CN(Cc1nccs1)Cc1ccccc1[O-] ZINC000140856004 345823818 /nfs/dbraw/zinc/82/38/18/345823818.db2.gz ZBPMEPOOKQLRIC-UHFFFAOYSA-N -1 3 234.324 2.481 20 10 BECDHM CC1(C)COCCN1Cc1cccc(F)c1[O-] ZINC000160223752 346444191 /nfs/dbraw/zinc/44/41/91/346444191.db2.gz YQWLTRBZMYCKNO-UHFFFAOYSA-N -1 3 239.290 2.142 20 10 BECDHM Cc1nc([C@@H](C)N(C)Cc2ccccc2[O-])no1 ZINC000278542576 180033686 /nfs/dbraw/zinc/03/36/86/180033686.db2.gz GLZWMVHCLARWBE-SECBINFHSA-N -1 3 247.298 2.277 20 10 BECDHM CCCCCNC(=O)c1cccc(O)c1[O-] ZINC000163267685 384782839 /nfs/dbraw/zinc/78/28/39/384782839.db2.gz ZFLUKTRBNREHMY-UHFFFAOYSA-N -1 3 223.272 2.018 20 10 BECDHM CN(CC1CCCC1)C(=O)c1cccc(O)c1[O-] ZINC000126415119 384798663 /nfs/dbraw/zinc/79/86/63/384798663.db2.gz KRRRUJXLJGEJSW-UHFFFAOYSA-N -1 3 249.310 2.360 20 10 BECDHM CC(C)[C@H]1CCCN1C(=O)c1cccc(O)c1[O-] ZINC000126462606 384799350 /nfs/dbraw/zinc/79/93/50/384799350.db2.gz OXTTUVYJIPCWGA-LLVKDONJSA-N -1 3 249.310 2.358 20 10 BECDHM C[C@H]1OCCN(Cc2cc(F)ccc2[O-])[C@H]1C ZINC000180158747 385385973 /nfs/dbraw/zinc/38/59/73/385385973.db2.gz GQFYFYAWQJJAET-VHSXEESVSA-N -1 3 239.290 2.141 20 10 BECDHM CCN(C(=O)c1ccc(C)c(O)c1[O-])C(C)C ZINC000182153085 385638177 /nfs/dbraw/zinc/63/81/77/385638177.db2.gz MUUMFPGHNPRBTQ-UHFFFAOYSA-N -1 3 237.299 2.277 20 10 BECDHM Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]2C)c([O-])c1O ZINC000271313921 385816471 /nfs/dbraw/zinc/81/64/71/385816471.db2.gz WBHUQPNYQSLPPH-GZMMTYOYSA-N -1 3 249.310 2.325 20 10 BECDHM Cc1ccc(C(=O)N[C@@H]2CCC[C@H]2C)c([O-])c1O ZINC000271313932 385817227 /nfs/dbraw/zinc/81/72/27/385817227.db2.gz WBHUQPNYQSLPPH-LDYMZIIASA-N -1 3 249.310 2.325 20 10 BECDHM O=C(c1cccc(O)c1[O-])N1CCCC12CCC2 ZINC000365631608 386239880 /nfs/dbraw/zinc/23/98/80/386239880.db2.gz YATGQLHLNIFGTD-UHFFFAOYSA-N -1 3 247.294 2.257 20 10 BECDHM Cc1cc(CN(C)Cc2ccccc2[O-])on1 ZINC000264722579 386267890 /nfs/dbraw/zinc/26/78/90/386267890.db2.gz PKQGGLMVLIWGGT-UHFFFAOYSA-N -1 3 232.283 2.321 20 10 BECDHM CCC[C@@H]1C[C@H]1NC(=O)c1cccc(O)c1[O-] ZINC000229413017 387167213 /nfs/dbraw/zinc/16/72/13/387167213.db2.gz OIJGYGVJUIMPKN-PSASIEDQSA-N -1 3 235.283 2.016 20 10 BECDHM CC[C@@H](C)[C@@H](C)NC(=O)c1cccc(O)c1[O-] ZINC000126296009 387676804 /nfs/dbraw/zinc/67/68/04/387676804.db2.gz BSICYAOLSTVCCT-RKDXNWHRSA-N -1 3 237.299 2.262 20 10 BECDHM C[C@@H](CF)NCc1cccc(Cl)c1[O-] ZINC000289223814 388351341 /nfs/dbraw/zinc/35/13/41/388351341.db2.gz AGDGCXKMXWPWQG-ZETCQYMHSA-N -1 3 217.671 2.493 20 10 BECDHM CC[C@@H]1CCN(C(=O)c2ccc(C)c(O)c2[O-])C1 ZINC000182587537 171007667 /nfs/dbraw/zinc/00/76/67/171007667.db2.gz HJUZHWBCFUYLLH-SNVBAGLBSA-N -1 3 249.310 2.278 20 10 BECDHM C[C@@H]1CCCN(C(=O)c2cccc(O)c2[O-])[C@@H]1C ZINC000126375578 176095727 /nfs/dbraw/zinc/09/57/27/176095727.db2.gz OHFBWKWLMVUWFM-NXEZZACHSA-N -1 3 249.310 2.358 20 10 BECDHM C[C@@H]1CN(Cc2cccc(F)c2[O-])[C@H](C)CO1 ZINC000160199582 176306683 /nfs/dbraw/zinc/30/66/83/176306683.db2.gz NCPVAFHGTBOLJL-NXEZZACHSA-N -1 3 239.290 2.141 20 10 BECDHM C[C@H]1CN(C(=O)c2cccc(O)c2[O-])C(C)(C)C1 ZINC000279074223 177228409 /nfs/dbraw/zinc/22/84/09/177228409.db2.gz DGSMKSCIZNYZBE-SECBINFHSA-N -1 3 249.310 2.358 20 10 BECDHM C[C@@H]1CN(Cc2cccc(F)c2[O-])C[C@H](C)O1 ZINC000129385004 177264161 /nfs/dbraw/zinc/26/41/61/177264161.db2.gz TYWHBDQQVFTAQC-AOOOYVTPSA-N -1 3 239.290 2.141 20 10 BECDHM C[C@H]1OCCN(Cc2cc(F)ccc2[O-])[C@@H]1C ZINC000180158728 177398773 /nfs/dbraw/zinc/39/87/73/177398773.db2.gz GQFYFYAWQJJAET-NXEZZACHSA-N -1 3 239.290 2.141 20 10 BECDHM [O-]c1c(F)cc(F)cc1CN1CCSCC1 ZINC000893922018 583247737 /nfs/dbraw/zinc/24/77/37/583247737.db2.gz XQCLFWCXPXDCSK-UHFFFAOYSA-N -1 3 245.294 2.219 20 10 BECDHM O=C(CCCF)NCc1cc(Cl)ccc1[O-] ZINC000855023481 588820829 /nfs/dbraw/zinc/82/08/29/588820829.db2.gz ZMTDMUAANSSXRS-UHFFFAOYSA-N -1 3 245.681 2.412 20 10 BECDHM CC[C@@H](NC(=O)c1cc([O-])cs1)C1CC1 ZINC000855858159 588851597 /nfs/dbraw/zinc/85/15/97/588851597.db2.gz WAPKMAKJEUTIMM-SECBINFHSA-N -1 3 225.313 2.372 20 10 BECDHM CC[C@@H](NC(=O)c1ccc(C)c(O)c1[O-])C1CC1 ZINC000855859188 588851668 /nfs/dbraw/zinc/85/16/68/588851668.db2.gz YKNPSQCQWZPPJU-LLVKDONJSA-N -1 3 249.310 2.325 20 10 BECDHM Cc1nccnc1CN(C)Cc1ccccc1[O-] ZINC000857018308 588882669 /nfs/dbraw/zinc/88/26/69/588882669.db2.gz LTTRLSWHXSZTIR-UHFFFAOYSA-N -1 3 243.310 2.123 20 10 BECDHM Cc1cccc([O-])c1CN(C)Cc1ncc[nH]1 ZINC000894586321 583489158 /nfs/dbraw/zinc/48/91/58/583489158.db2.gz CBJHFITVLFAAKX-UHFFFAOYSA-N -1 3 231.299 2.056 20 10 BECDHM O=C(NCC[C@H]1CC1(F)F)c1cc([O-])cs1 ZINC000857351089 588906942 /nfs/dbraw/zinc/90/69/42/588906942.db2.gz YNYGBPUHEMSFKS-LURJTMIESA-N -1 3 247.266 2.229 20 10 BECDHM O=C(c1cc2cc(O)c([O-])cc2s1)N1CCC1 ZINC000895522204 583686092 /nfs/dbraw/zinc/68/60/92/583686092.db2.gz OLIPLUMEKGFWGX-UHFFFAOYSA-N -1 3 249.291 2.158 20 10 BECDHM CCCN(C(=O)c1cc([O-])cs1)C1CC1 ZINC000732287674 584935806 /nfs/dbraw/zinc/93/58/06/584935806.db2.gz ZLLDNKXKOWQWGP-UHFFFAOYSA-N -1 3 225.313 2.468 20 10 BECDHM CSCC[C@H](C)NC(=O)c1cc([O-])cs1 ZINC000736706853 585010118 /nfs/dbraw/zinc/01/01/18/585010118.db2.gz ADRDIOOXODZFJE-ZETCQYMHSA-N -1 3 245.369 2.325 20 10 BECDHM O=C(NCc1cc(Cl)ccc1[O-])OCCF ZINC000859206175 589019233 /nfs/dbraw/zinc/01/92/33/589019233.db2.gz ISIHMAXQQAPPBO-UHFFFAOYSA-N -1 3 247.653 2.241 20 10 BECDHM O=C(OCCC1CC1)c1cc([O-])cs1 ZINC000745002436 585155336 /nfs/dbraw/zinc/15/53/36/585155336.db2.gz JYFASJQZMALPEF-UHFFFAOYSA-N -1 3 212.270 2.411 20 10 BECDHM O=C(NCCC1CCC1)c1cc([O-])cs1 ZINC000755863814 585308934 /nfs/dbraw/zinc/30/89/34/585308934.db2.gz MJRXCRCKKJDQAE-UHFFFAOYSA-N -1 3 225.313 2.374 20 10 BECDHM CC[C@@H](C)C(=O)COC(=O)c1cc([O-])cs1 ZINC000756409381 585319406 /nfs/dbraw/zinc/31/94/06/585319406.db2.gz AHVJDWDIBYZJOE-SSDOTTSWSA-N -1 3 242.296 2.226 20 10 BECDHM O=C(NC[C@@H]1CCCS1)c1cc([O-])cs1 ZINC000757426709 585335133 /nfs/dbraw/zinc/33/51/33/585335133.db2.gz ZEDFNMPZNGTAJG-QMMMGPOBSA-N -1 3 243.353 2.079 20 10 BECDHM CC(C)[C@@H]1C[C@H]1CNC(=O)c1cc([O-])cs1 ZINC000839786365 585341885 /nfs/dbraw/zinc/34/18/85/585341885.db2.gz UVDKWVAOEVTSGE-WPRPVWTQSA-N -1 3 239.340 2.476 20 10 BECDHM CCN(C(=O)c1cc([O-])cs1)C1CC1 ZINC000763075183 585443108 /nfs/dbraw/zinc/44/31/08/585443108.db2.gz YTNJEIGQSPDPBX-UHFFFAOYSA-N -1 3 211.286 2.078 20 10 BECDHM C[C@]1(O)CCN(Cc2c([O-])cccc2Cl)C1 ZINC000769543272 585559308 /nfs/dbraw/zinc/55/93/08/585559308.db2.gz LSWCSAROSCOBNV-LBPRGKRZSA-N -1 3 241.718 2.002 20 10 BECDHM CC[C@H](CSC)NC(=O)c1cc([O-])cs1 ZINC000775617949 585681761 /nfs/dbraw/zinc/68/17/61/585681761.db2.gz NYPWVGSTSFFMKK-SSDOTTSWSA-N -1 3 245.369 2.325 20 10 BECDHM O=C(OC[C@H]1CCCCO1)c1cc([O-])cs1 ZINC000778118933 585725991 /nfs/dbraw/zinc/72/59/91/585725991.db2.gz RUPLZXRMBQZJGB-SECBINFHSA-N -1 3 242.296 2.180 20 10 BECDHM Cc1ccc(C(=O)N2[C@H](C)C[C@H]2C)c([O-])c1O ZINC000792531071 586001970 /nfs/dbraw/zinc/00/19/70/586001970.db2.gz MXNOWDAPYXOXFP-RKDXNWHRSA-N -1 3 235.283 2.029 20 10 BECDHM Cc1nccc(CN(C)Cc2ccccc2[O-])n1 ZINC000796451942 586103603 /nfs/dbraw/zinc/10/36/03/586103603.db2.gz ZYYOJGDXVXTURT-UHFFFAOYSA-N -1 3 243.310 2.123 20 10 BECDHM Cc1ccc(C(=O)N2CCC=C(C)C2)c([O-])c1O ZINC000798089321 586136706 /nfs/dbraw/zinc/13/67/06/586136706.db2.gz PVBDDSATGIFDGY-UHFFFAOYSA-N -1 3 247.294 2.198 20 10 BECDHM CC1CN(Cc2cccc(Cl)c2[O-])C1 ZINC000798184065 586138817 /nfs/dbraw/zinc/13/88/17/586138817.db2.gz ZGSRIJMYDIGMRC-UHFFFAOYSA-N -1 3 211.692 2.497 20 10 BECDHM O=C(Nc1nc(C2CC2)c[nH]1)c1cc([O-])cs1 ZINC000807660555 586448126 /nfs/dbraw/zinc/44/81/26/586448126.db2.gz BSMMMIDPFLJKTL-UHFFFAOYSA-N -1 3 249.295 2.307 20 10 BECDHM CC(C)SCCNC(=O)c1cc([O-])cs1 ZINC000807775488 586448710 /nfs/dbraw/zinc/44/87/10/586448710.db2.gz MPKOMJSDPUNDRO-UHFFFAOYSA-N -1 3 245.369 2.325 20 10 BECDHM CC1(C)CC[C@@H]1NC(=O)c1cc([O-])cs1 ZINC000807777894 586448702 /nfs/dbraw/zinc/44/87/02/586448702.db2.gz VMCPHQZCVHATDE-VIFPVBQESA-N -1 3 225.313 2.372 20 10 BECDHM CC[C@@H](NCC(F)(F)CN)c1ccccc1[O-] ZINC000817965841 586854777 /nfs/dbraw/zinc/85/47/77/586854777.db2.gz DAHBPKGJZMDECO-SNVBAGLBSA-N -1 3 244.285 2.027 20 10 BECDHM Cc1cc([O-])c(C[N@@H+]2CCC[C@@H]2C(=O)[O-])cc1C ZINC000821046092 587090911 /nfs/dbraw/zinc/09/09/11/587090911.db2.gz QNNFUSHGDVHTFJ-GFCCVEGCSA-N -1 3 249.310 2.058 20 10 BECDHM Cc1cc([O-])c(C[N@H+]2CCC[C@@H]2C(=O)[O-])cc1C ZINC000821046092 587090912 /nfs/dbraw/zinc/09/09/12/587090912.db2.gz QNNFUSHGDVHTFJ-GFCCVEGCSA-N -1 3 249.310 2.058 20 10 BECDHM C[C@@H]1[C@H](O)CCN1Cc1cccc(Cl)c1[O-] ZINC000825104195 587304721 /nfs/dbraw/zinc/30/47/21/587304721.db2.gz QTUKBPHUEGSWBR-LDYMZIIASA-N -1 3 241.718 2.001 20 10 BECDHM CCn1ccc(CN[C@@H](C)c2ccccc2[O-])n1 ZINC000840839760 587924796 /nfs/dbraw/zinc/92/47/96/587924796.db2.gz RRANKPOMPFTCDL-NSHDSACASA-N -1 3 245.326 2.459 20 10 BECDHM Cc1cc([O-])c(CN2CCOCC2)c(Cl)c1 ZINC000840908000 587928982 /nfs/dbraw/zinc/92/89/82/587928982.db2.gz LWXOEDIEHXENOV-UHFFFAOYSA-N -1 3 241.718 2.186 20 10 BECDHM Cc1cc([O-])c(CN(C)C[C@H](C)O)c(Cl)c1 ZINC000840939545 587930525 /nfs/dbraw/zinc/93/05/25/587930525.db2.gz NMXHHRIJMSTPGR-VIFPVBQESA-N -1 3 243.734 2.167 20 10 BECDHM Nc1ccc(NC([O-])=NOC2CCCC2)cc1 ZINC000841295766 587950506 /nfs/dbraw/zinc/95/05/06/587950506.db2.gz FTAJDARESWWWFB-UHFFFAOYSA-N -1 3 235.287 2.265 20 10 BECDHM Nc1ccc(NC(=O)[N-]OC2CCCC2)cc1 ZINC000841295766 587950507 /nfs/dbraw/zinc/95/05/07/587950507.db2.gz FTAJDARESWWWFB-UHFFFAOYSA-N -1 3 235.287 2.265 20 10 BECDHM CC[C@H](COC(=O)c1cc([O-])cs1)OC ZINC000842075291 587995964 /nfs/dbraw/zinc/99/59/64/587995964.db2.gz OYBGICZXXRVCGV-MRVPVSSYSA-N -1 3 230.285 2.036 20 10 BECDHM Cc1cccc(C[NH2+][C@@H]2CC[C@H](C(=O)[O-])C2)c1[O-] ZINC000843038960 588075444 /nfs/dbraw/zinc/07/54/44/588075444.db2.gz LGAIXERCFABLHY-CMPLNLGQSA-N -1 3 249.310 2.044 20 10 BECDHM C[C@H](CNC(=O)c1cc([O-])cs1)CC(F)F ZINC000844146553 588170718 /nfs/dbraw/zinc/17/07/18/588170718.db2.gz GENDVOGQJUDIMR-LURJTMIESA-N -1 3 249.282 2.475 20 10 BECDHM O=C(N[C@@H]1CC[C@@H]2C[C@@H]2C1)c1cc([O-])cs1 ZINC000844152346 588171179 /nfs/dbraw/zinc/17/11/79/588171179.db2.gz FCUDFUUURSVMDN-IWSPIJDZSA-N -1 3 237.324 2.372 20 10 BECDHM C[C@H](CCO)N(C)Cc1c([O-])cccc1Cl ZINC000846111452 588257227 /nfs/dbraw/zinc/25/72/27/588257227.db2.gz PGEIAPCJCQUFMI-SECBINFHSA-N -1 3 243.734 2.248 20 10 BECDHM CC(C)(F)C(=O)NCc1cc(Cl)ccc1[O-] ZINC000846472621 588267128 /nfs/dbraw/zinc/26/71/28/588267128.db2.gz CDJULNZFNMKORP-UHFFFAOYSA-N -1 3 245.681 2.410 20 10 BECDHM O=C(CC1CC1)NCc1cc(Cl)ccc1[O-] ZINC000846472693 588267167 /nfs/dbraw/zinc/26/71/67/588267167.db2.gz LNLNTUBLGSGMHA-UHFFFAOYSA-N -1 3 239.702 2.462 20 10 BECDHM CSCC(=O)NCc1cc(Cl)ccc1[O-] ZINC000846479753 588267245 /nfs/dbraw/zinc/26/72/45/588267245.db2.gz ONUFGYWZSDPGDJ-UHFFFAOYSA-N -1 3 245.731 2.025 20 10 BECDHM Cc1ccc(CN(C)CC(F)F)c([O-])c1 ZINC000876639141 590225069 /nfs/dbraw/zinc/22/50/69/590225069.db2.gz ATLXFTNYMLYGFT-UHFFFAOYSA-N -1 3 215.243 2.398 20 10 BECDHM Cc1cccc([O-])c1CN(C)Cc1ccon1 ZINC000876754662 590238535 /nfs/dbraw/zinc/23/85/35/590238535.db2.gz OMRBCYIZNFPCPX-UHFFFAOYSA-N -1 3 232.283 2.321 20 10 BECDHM Cc1cccc([O-])c1CN(C)Cc1nccn1C ZINC000877168943 590295719 /nfs/dbraw/zinc/29/57/19/590295719.db2.gz ADECCPPMWJGFDW-UHFFFAOYSA-N -1 3 245.326 2.066 20 10 BECDHM Cc1ccc(CNC(CF)CF)c([O-])c1 ZINC000877559477 590358911 /nfs/dbraw/zinc/35/89/11/590358911.db2.gz OKMQXCNDTKSRIN-UHFFFAOYSA-N -1 3 215.243 2.098 20 10 BECDHM Cc1ccc(CN2CC(OC(F)F)C2)c([O-])c1 ZINC000877581787 590365804 /nfs/dbraw/zinc/36/58/04/590365804.db2.gz SNUYHYUIYYUGDX-UHFFFAOYSA-N -1 3 243.253 2.124 20 10 BECDHM Cc1ccc(CN[C@H](C)c2csnn2)c([O-])c1 ZINC000877589860 590368630 /nfs/dbraw/zinc/36/86/30/590368630.db2.gz MDMJJIKSNMJZDN-SECBINFHSA-N -1 3 249.339 2.403 20 10 BECDHM [O-]c1cccc2c1CN(CC1(F)CC1)C2 ZINC000877702817 590395954 /nfs/dbraw/zinc/39/59/54/590395954.db2.gz IUAMELQGRQYQKL-UHFFFAOYSA-N -1 3 207.248 2.210 20 10 BECDHM CCn1cc(CN2Cc3cccc([O-])c3C2)cn1 ZINC000877702755 590396699 /nfs/dbraw/zinc/39/66/99/590396699.db2.gz GJPJZQBXNNFWKI-UHFFFAOYSA-N -1 3 243.310 2.124 20 10 BECDHM Cc1nnc([C@@H](C)N[C@H](C)c2ccccc2[O-])o1 ZINC000879649156 590841950 /nfs/dbraw/zinc/84/19/50/590841950.db2.gz MXRQGGXYAKRXST-RKDXNWHRSA-N -1 3 247.298 2.495 20 10 BECDHM Cc1noc([C@H](C)N[C@@H](C)c2ccccc2[O-])n1 ZINC000879651636 590843477 /nfs/dbraw/zinc/84/34/77/590843477.db2.gz FCVCRJMTFRRGCD-IUCAKERBSA-N -1 3 247.298 2.495 20 10 BECDHM Cc1ccnc(CN[C@@H](C)c2ccccc2[O-])n1 ZINC000879650702 590843654 /nfs/dbraw/zinc/84/36/54/590843654.db2.gz ORZPTDDKHUHROT-NSHDSACASA-N -1 3 243.310 2.341 20 10 BECDHM C[C@H](NCc1ccnn1C)c1c([O-])cccc1F ZINC000886501221 592239423 /nfs/dbraw/zinc/23/94/23/592239423.db2.gz BBOMRVJXYRJITE-VIFPVBQESA-N -1 3 249.289 2.116 20 10 BECDHM Cc1cc(CN[C@@H](C)c2c([O-])cccc2F)[nH]n1 ZINC000886530399 592247638 /nfs/dbraw/zinc/24/76/38/592247638.db2.gz JETAHTSWRNCISS-VIFPVBQESA-N -1 3 249.289 2.414 20 10 BECDHM Cc1cc(CN[C@@H](C)c2c([O-])cccc2F)n[nH]1 ZINC000886530399 592247639 /nfs/dbraw/zinc/24/76/39/592247639.db2.gz JETAHTSWRNCISS-VIFPVBQESA-N -1 3 249.289 2.414 20 10 BECDHM C[C@@H](NCCF)c1c([O-])cccc1F ZINC000886604743 592272186 /nfs/dbraw/zinc/27/21/86/592272186.db2.gz BQZAUTPJNZHAHH-SSDOTTSWSA-N -1 3 201.216 2.151 20 10 BECDHM CO[C@@]1(C)C[C@H]1N[C@H](C)c1c([O-])cccc1F ZINC000886640033 592285869 /nfs/dbraw/zinc/28/58/69/592285869.db2.gz PUXNFJKECLBQRE-DYLAAIIWSA-N -1 3 239.290 2.359 20 10 BECDHM O=C([O-])C[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000083663506 600219103 /nfs/dbraw/zinc/21/91/03/600219103.db2.gz YGCBZRWLWPRSIF-UHFFFAOYSA-N -1 3 249.310 2.221 20 10 BECDHM O=C([O-])C[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000083663506 600219104 /nfs/dbraw/zinc/21/91/04/600219104.db2.gz YGCBZRWLWPRSIF-UHFFFAOYSA-N -1 3 249.310 2.221 20 10 BECDHM CCCC[C@H]([NH2+]Cc1ccccc1[O-])C(=O)[O-] ZINC000084828581 631451690 /nfs/dbraw/zinc/45/16/90/631451690.db2.gz XDZZMYQLPXYQHR-NSHDSACASA-N -1 3 237.299 2.125 20 10 BECDHM [O-]c1c(Cl)cccc1CNCc1cc[nH]n1 ZINC000162826395 633040349 /nfs/dbraw/zinc/04/03/49/633040349.db2.gz DIKSKFVPBCJAJE-UHFFFAOYSA-N -1 3 237.690 2.059 20 10 BECDHM O=C(NCc1c([O-])cccc1F)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000928704517 636340065 /nfs/dbraw/zinc/34/00/65/636340065.db2.gz AQAJWLINDPLYTR-WOFXILAISA-N -1 3 249.285 2.194 20 10 BECDHM C[C@@H]1CC[C@@H](CNC(=O)c2cccc(O)c2[O-])C1 ZINC000230429001 641055295 /nfs/dbraw/zinc/05/52/95/641055295.db2.gz VSXCFNUIDDFZIS-NXEZZACHSA-N -1 3 249.310 2.264 20 10 BECDHM CCN(CCC1CC1)C(=O)c1cccc(O)c1[O-] ZINC000385925947 711019359 /nfs/dbraw/zinc/01/93/59/711019359.db2.gz MDVXWOKTZQDEKX-UHFFFAOYSA-N -1 3 249.310 2.360 20 10 BECDHM C[C@H]1[C@@H](C)N(C(=O)c2cccc(O)c2[O-])C[C@H]1C ZINC000399520352 711430985 /nfs/dbraw/zinc/43/09/85/711430985.db2.gz CHOYIZFMGWIRIV-OPRDCNLKSA-N -1 3 249.310 2.214 20 10 BECDHM CC1(C)C[C@@]1(C)NC(=O)c1cccc(O)c1[O-] ZINC000702346113 712045626 /nfs/dbraw/zinc/04/56/26/712045626.db2.gz OZCIPKQKFNFSDB-CYBMUJFWSA-N -1 3 235.283 2.016 20 10 BECDHM O=C(NCCCC1CCC1)c1cccc(O)c1[O-] ZINC000711126902 712286022 /nfs/dbraw/zinc/28/60/22/712286022.db2.gz HZYPVAXTZNKSCD-UHFFFAOYSA-N -1 3 249.310 2.408 20 10 BECDHM CC1(C)CC[C@H](NC(=O)c2cccc(O)c2[O-])C1 ZINC000132945607 712639497 /nfs/dbraw/zinc/63/94/97/712639497.db2.gz MFOAFLJWRDCBTJ-VIFPVBQESA-N -1 3 249.310 2.406 20 10 BECDHM C[C@H](NCc1cc(F)ccc1[O-])C(F)F ZINC000389973658 712693013 /nfs/dbraw/zinc/69/30/13/712693013.db2.gz YWXQRNFUBCHMFS-LURJTMIESA-N -1 3 219.206 2.275 20 10 BECDHM CC[C@H]1C[C@H](C)CN1C(=O)c1cccc(O)c1[O-] ZINC000399645273 1169260209 /nfs/dbraw/zinc/26/02/09/1169260209.db2.gz HZNMAJDKCOOKNN-UWVGGRQHSA-N -1 3 249.310 2.358 20 10 BECDHM O=C(NC1(C2CCC2)CC1)c1cccc(O)c1[O-] ZINC000697701706 964505258 /nfs/dbraw/zinc/50/52/58/964505258.db2.gz NZXPWHUXYCCWMR-UHFFFAOYSA-N -1 3 247.294 2.160 20 10 BECDHM [O-]c1ccc(Cl)cc1CN1CC(F)(F)C1 ZINC001203648010 966720473 /nfs/dbraw/zinc/72/04/73/966720473.db2.gz BKIPKIPMTRXICG-UHFFFAOYSA-N -1 3 233.645 2.497 20 10 BECDHM CC[C@@H]1CC[N@H+](Cc2cc(C(=O)[O-])ccc2[O-])C1 ZINC001231568950 977637827 /nfs/dbraw/zinc/63/78/27/977637827.db2.gz SLNPXDVZLQPAFK-SNVBAGLBSA-N -1 3 249.310 2.322 20 10 BECDHM CC[C@@H]1CC[N@@H+](Cc2cc(C(=O)[O-])ccc2[O-])C1 ZINC001231568950 977637834 /nfs/dbraw/zinc/63/78/34/977637834.db2.gz SLNPXDVZLQPAFK-SNVBAGLBSA-N -1 3 249.310 2.322 20 10 BECDHM C[C@@H]1CCN1Cc1ccc(F)c(F)c1[O-] ZINC001233073815 978461158 /nfs/dbraw/zinc/46/11/58/978461158.db2.gz CZKILUILJFBLQS-SSDOTTSWSA-N -1 3 213.227 2.265 20 10 BECDHM Cc1cccc([O-])c1C[N@@H+]1CCC[C@H]1CC(=O)[O-] ZINC001600543423 978702110 /nfs/dbraw/zinc/70/21/10/978702110.db2.gz VUSROONBPGKUBQ-NSHDSACASA-N -1 3 249.310 2.140 20 10 BECDHM Cc1cccc([O-])c1C[N@H+]1CCC[C@H]1CC(=O)[O-] ZINC001600543423 978702118 /nfs/dbraw/zinc/70/21/18/978702118.db2.gz VUSROONBPGKUBQ-NSHDSACASA-N -1 3 249.310 2.140 20 10 BECDHM Cc1ccc(C[N@@H+]([C@@H](C)C(=O)[O-])C2CC2)c([O-])c1 ZINC001605273221 979847303 /nfs/dbraw/zinc/84/73/03/979847303.db2.gz QEDSJFNDDNRQNK-JTQLQIEISA-N -1 3 249.310 2.138 20 10 BECDHM Cc1ccc(C[N@H+]([C@@H](C)C(=O)[O-])C2CC2)c([O-])c1 ZINC001605273221 979847306 /nfs/dbraw/zinc/84/73/06/979847306.db2.gz QEDSJFNDDNRQNK-JTQLQIEISA-N -1 3 249.310 2.138 20 10 BECDHM CC[C@H](C)NC(=O)NCc1c([O-])cccc1F ZINC001356383033 983598678 /nfs/dbraw/zinc/59/86/78/983598678.db2.gz UYCGQGMRGJRZDZ-QMMMGPOBSA-N -1 3 240.278 2.129 20 10 BECDHM [O-]c1cccc(F)c1CN1C[C@@H]2C[C@@H]2[C@@H](F)C1 ZINC001137832879 990857956 /nfs/dbraw/zinc/85/79/56/990857956.db2.gz KWWJZGUPGCHFFK-AUTRQRHGSA-N -1 3 239.265 2.321 20 10 BECDHM CCN(C)Cc1c(F)ccc(F)c1[O-] ZINC001139685665 991318421 /nfs/dbraw/zinc/31/84/21/991318421.db2.gz SAKHOOGOIPDUHW-UHFFFAOYSA-N -1 3 201.216 2.122 20 10 BECDHM C[C@@H]([NH2+][C@@H]1C=CCC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593208545 994226393 /nfs/dbraw/zinc/22/63/93/994226393.db2.gz CYWAMWAWAZKRQV-MWLCHTKSSA-N -1 3 247.294 2.460 20 10 BECDHM C[C@@H]([NH2+][C@H]1CC[C@@H](C(=O)[O-])C1)c1ccccc1[O-] ZINC001593357675 995011251 /nfs/dbraw/zinc/01/12/51/995011251.db2.gz WOJAPLNXZMJVLF-MXWKQRLJSA-N -1 3 249.310 2.296 20 10 BECDHM C[C@H]([NH2+]C[C@@H]1C[C@H]1C)c1cc(C(=O)[O-])ccc1[O-] ZINC001609779185 1170289215 /nfs/dbraw/zinc/28/92/15/1170289215.db2.gz OWUGGSIWBADCGZ-YWVKMMECSA-N -1 3 249.310 2.397 20 10 BECDHM C[C@H]([NH2+]C1(C)CC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001609776042 1170290525 /nfs/dbraw/zinc/29/05/25/1170290525.db2.gz PCBGLDQKFQLSBR-QMMMGPOBSA-N -1 3 235.283 2.294 20 10 BECDHM CCC(CC)CNC(=O)c1cccc(O)c1[O-] ZINC000126561788 168358780 /nfs/dbraw/zinc/35/87/80/168358780.db2.gz MNBGLQXLFWKJCF-UHFFFAOYSA-N -1 3 237.299 2.264 20 10 BECDHM O=C(NC12CCC(CC1)C2)c1cccc(O)c1[O-] ZINC001638445946 1172021001 /nfs/dbraw/zinc/02/10/01/1172021001.db2.gz QRUKAHCDSHNXOD-UHFFFAOYSA-N -1 3 247.294 2.160 20 10 BECDHM O=C(NC[C@@H]1CC=CCC1)c1cccc(O)c1[O-] ZINC000126365738 182223792 /nfs/dbraw/zinc/22/37/92/182223792.db2.gz PCJKRDPRFSSKEI-SNVBAGLBSA-N -1 3 247.294 2.184 20 10 BECDHM CCCN(CC)C(=O)c1ccc(C)c(O)c1[O-] ZINC000272771454 169117779 /nfs/dbraw/zinc/11/77/79/169117779.db2.gz MXYSGEAJEIJLSB-UHFFFAOYSA-N -1 3 237.299 2.278 20 10 BECDHM [O-]c1ccccc1CN1CCC=C(F)C1 ZINC000274454324 183301619 /nfs/dbraw/zinc/30/16/19/183301619.db2.gz FVUQTUQAIAEUDF-UHFFFAOYSA-N -1 3 207.248 2.451 20 10 BECDHM CC[C@H](NCC(F)(F)CO)c1ccccc1[O-] ZINC000186420714 384841233 /nfs/dbraw/zinc/84/12/33/384841233.db2.gz TYPWATGUQZDLSY-JTQLQIEISA-N -1 3 245.269 2.061 20 10 BECDHM CO[C@H]1CCCN(Cc2cccc(F)c2[O-])C1 ZINC000226562462 386334435 /nfs/dbraw/zinc/33/44/35/386334435.db2.gz NXRVQKUWVAAYCG-NSHDSACASA-N -1 3 239.290 2.142 20 10 BECDHM COC[C@@H]1CCN1Cc1cccc(Cl)c1[O-] ZINC000293720855 386866354 /nfs/dbraw/zinc/86/63/54/386866354.db2.gz TZBZXBONVGNGFU-JTQLQIEISA-N -1 3 241.718 2.266 20 10 BECDHM C[C@@H](NCc1ccccc1[O-])C(F)(F)F ZINC000277226790 388353890 /nfs/dbraw/zinc/35/38/90/388353890.db2.gz YJKINDFQGXTMOX-SSDOTTSWSA-N -1 3 219.206 2.433 20 10 BECDHM CCC1(CC)CN(C(=O)c2cccc(O)c2[O-])C1 ZINC000293825298 388391426 /nfs/dbraw/zinc/39/14/26/388391426.db2.gz BGZXDNDSLFWAPQ-UHFFFAOYSA-N -1 3 249.310 2.360 20 10 BECDHM CC[C@H]1CN(Cc2cc(F)ccc2[O-])CCO1 ZINC000179909002 398048562 /nfs/dbraw/zinc/04/85/62/398048562.db2.gz YJEVCPAYEKIOBT-LBPRGKRZSA-N -1 3 239.290 2.142 20 10 BECDHM CC[C@@H]1[C@H](C)CCN1C(=O)c1cccc(O)c1[O-] ZINC000280560092 171159184 /nfs/dbraw/zinc/15/91/84/171159184.db2.gz UUVOASGZRMIABW-MWLCHTKSSA-N -1 3 249.310 2.358 20 10 BECDHM CC[C@H](C)CN(C)C(=O)c1cccc(O)c1[O-] ZINC000126247990 171271532 /nfs/dbraw/zinc/27/15/32/171271532.db2.gz YXHXWNOHMIAOST-VIFPVBQESA-N -1 3 237.299 2.216 20 10 BECDHM COCCN(C)Cc1cc(Cl)c(F)cc1[O-] ZINC000295016087 174280618 /nfs/dbraw/zinc/28/06/18/174280618.db2.gz WCPFKNJSOZNXPJ-UHFFFAOYSA-N -1 3 247.697 2.263 20 10 BECDHM COCCN(Cc1ccccc1[O-])CC(F)F ZINC000179568124 174298681 /nfs/dbraw/zinc/29/86/81/174298681.db2.gz VURUYQHGSVDKDF-UHFFFAOYSA-N -1 3 245.269 2.106 20 10 BECDHM C[C@@H]1CCN(C(=O)c2cccc(O)c2[O-])[C@H](C)C1 ZINC000126380242 176163797 /nfs/dbraw/zinc/16/37/97/176163797.db2.gz RYGHBIPRGQDEFB-NXEZZACHSA-N -1 3 249.310 2.358 20 10 BECDHM C[C@H]1CCCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000126414876 177095412 /nfs/dbraw/zinc/09/54/12/177095412.db2.gz XZCBPIDZARDWJZ-JTQLQIEISA-N -1 3 249.310 2.360 20 10 BECDHM C[C@H]1CCC[C@H](NC(=O)c2cccc(O)c2[O-])C1 ZINC000126249167 177136165 /nfs/dbraw/zinc/13/61/65/177136165.db2.gz NOGMZBIXBAVTEU-UWVGGRQHSA-N -1 3 249.310 2.406 20 10 BECDHM C[C@H]1CCN(C(=O)c2cccc(O)c2[O-])[C@@H](C)C1 ZINC000126380920 177154500 /nfs/dbraw/zinc/15/45/00/177154500.db2.gz RYGHBIPRGQDEFB-UWVGGRQHSA-N -1 3 249.310 2.358 20 10 BECDHM O=C(N[C@@H]1C[C@H]2CCC[C@H]21)c1cccc(O)c1[O-] ZINC000889603243 583529306 /nfs/dbraw/zinc/52/93/06/583529306.db2.gz MYXOBDQBKDWKGF-FXPVBKGRSA-N -1 3 247.294 2.016 20 10 BECDHM [O-]c1cccc(F)c1CNCC1(F)CC1 ZINC000896636207 583818885 /nfs/dbraw/zinc/81/88/85/583818885.db2.gz AJYLDQXVBIQBMH-UHFFFAOYSA-N -1 3 213.227 2.123 20 10 BECDHM C[C@H]1CCCN(C(=O)c2cc([O-])cs2)C1 ZINC000731864476 584929805 /nfs/dbraw/zinc/92/98/05/584929805.db2.gz XEPSNPHVUNQWJZ-QMMMGPOBSA-N -1 3 225.313 2.326 20 10 BECDHM CCC(CC)NC(=O)c1cc([O-])cs1 ZINC000731864040 584929861 /nfs/dbraw/zinc/92/98/61/584929861.db2.gz JOWYGMQRNOCKFI-UHFFFAOYSA-N -1 3 213.302 2.372 20 10 BECDHM O=C(NCc1cccs1)c1cc([O-])cs1 ZINC000731865343 584929956 /nfs/dbraw/zinc/92/99/56/584929956.db2.gz BUIOIJVJIUDBPA-UHFFFAOYSA-N -1 3 239.321 2.445 20 10 BECDHM CCCN(CC)C(=O)c1cc([O-])cs1 ZINC000732269481 584935361 /nfs/dbraw/zinc/93/53/61/584935361.db2.gz UFEWITOYCDPESD-UHFFFAOYSA-N -1 3 213.302 2.326 20 10 BECDHM C[C@@H](CNC(=O)c1cc([O-])cs1)C1CC1 ZINC000732277778 584935677 /nfs/dbraw/zinc/93/56/77/584935677.db2.gz OYXPRNNMMXUNCA-ZETCQYMHSA-N -1 3 225.313 2.230 20 10 BECDHM O=C(OCc1cccnc1)c1cc([O-])cs1 ZINC000733496377 584950072 /nfs/dbraw/zinc/95/00/72/584950072.db2.gz HLRPAEGPQWEZBU-UHFFFAOYSA-N -1 3 235.264 2.206 20 10 BECDHM CC(C)OCCCOC(=O)c1cc([O-])cs1 ZINC000733496422 584950097 /nfs/dbraw/zinc/95/00/97/584950097.db2.gz IXGCZZFLJIYURQ-UHFFFAOYSA-N -1 3 244.312 2.426 20 10 BECDHM O=C(N[C@H]1CCC[C@@H]2C[C@@H]21)c1cccc(O)c1[O-] ZINC000838253232 585051158 /nfs/dbraw/zinc/05/11/58/585051158.db2.gz QZOVVKVHKHROBP-MIMYLULJSA-N -1 3 247.294 2.016 20 10 BECDHM C[C@@H]1[C@@H](C)CCN1C(=O)c1cc([O-])cs1 ZINC000752821641 585250597 /nfs/dbraw/zinc/25/05/97/585250597.db2.gz ZEWXGSYDIAHHRL-JGVFFNPUSA-N -1 3 225.313 2.324 20 10 BECDHM CN(C(=O)c1cc([O-])cs1)[C@@H]1CCSC1 ZINC000756810694 585323542 /nfs/dbraw/zinc/32/35/42/585323542.db2.gz NKDFFVFOEPLZOR-SSDOTTSWSA-N -1 3 243.353 2.031 20 10 BECDHM CC(C)[C@H]1CCN1C(=O)c1cc([O-])cs1 ZINC000839782052 585341801 /nfs/dbraw/zinc/34/18/01/585341801.db2.gz FRKGXLHZVIIIFB-SECBINFHSA-N -1 3 225.313 2.324 20 10 BECDHM Cc1n[nH]c(C)c1NC(=O)c1cc([O-])cs1 ZINC000760387138 585391698 /nfs/dbraw/zinc/39/16/98/585391698.db2.gz QCBKLKMSMCCEAW-UHFFFAOYSA-N -1 3 237.284 2.046 20 10 BECDHM O=C(Nc1cc(Cl)[nH]n1)c1cc([O-])cs1 ZINC000765028319 585479868 /nfs/dbraw/zinc/47/98/68/585479868.db2.gz KKPYUCDLFRZWIT-UHFFFAOYSA-N -1 3 243.675 2.083 20 10 BECDHM O=C(N[C@H]1CCC[C@@H]2C[C@@H]21)c1cc([O-])cs1 ZINC000839798206 585489752 /nfs/dbraw/zinc/48/97/52/585489752.db2.gz RXVNLKQNIQUWIH-JEZHCXPESA-N -1 3 237.324 2.372 20 10 BECDHM Cc1ccc(C(=O)N2CC(C(C)C)C2)c([O-])c1O ZINC000780994088 585788179 /nfs/dbraw/zinc/78/81/79/585788179.db2.gz AXVHXXYAEQILOA-UHFFFAOYSA-N -1 3 249.310 2.134 20 10 BECDHM O=C(N[C@@H]1C[C@H]1c1ccco1)c1cc([O-])cs1 ZINC000839925214 586238444 /nfs/dbraw/zinc/23/84/44/586238444.db2.gz VAFXUDOPMOFZMO-RKDXNWHRSA-N -1 3 249.291 2.333 20 10 BECDHM O=C(N[C@H]1CCCC1(F)F)c1cc([O-])cs1 ZINC000807854476 586449998 /nfs/dbraw/zinc/44/99/98/586449998.db2.gz YVTMRDTUDSIDEP-QMMMGPOBSA-N -1 3 247.266 2.371 20 10 BECDHM C[C@@H]1CCC[N@H+](Cc2ccccc2[O-])[C@@H]1C(=O)[O-] ZINC000818631505 586908672 /nfs/dbraw/zinc/90/86/72/586908672.db2.gz HBQWWRXGYOXORQ-MFKMUULPSA-N -1 3 249.310 2.077 20 10 BECDHM C[C@@H]1CCC[N@@H+](Cc2ccccc2[O-])[C@@H]1C(=O)[O-] ZINC000818631505 586908673 /nfs/dbraw/zinc/90/86/73/586908673.db2.gz HBQWWRXGYOXORQ-MFKMUULPSA-N -1 3 249.310 2.077 20 10 BECDHM C[C@@H]1[C@@H](O)CCN1Cc1cc(Cl)ccc1[O-] ZINC000824959420 587294998 /nfs/dbraw/zinc/29/49/98/587294998.db2.gz GTZTZGRQXUKVMU-KCJUWKMLSA-N -1 3 241.718 2.001 20 10 BECDHM CC(=O)[C@@H](OC(=O)c1cc([O-])cs1)C(C)C ZINC000828842054 587466245 /nfs/dbraw/zinc/46/62/45/587466245.db2.gz LPXUODVLCJAQRQ-JTQLQIEISA-N -1 3 242.296 2.224 20 10 BECDHM CC[C@@H](NC(=O)c1cc([O-])cs1)C(F)F ZINC000833204790 587702205 /nfs/dbraw/zinc/70/22/05/587702205.db2.gz UPIOCSURRZVJMD-ZCFIWIBFSA-N -1 3 235.255 2.227 20 10 BECDHM Cc1c[nH]c(CN(C)Cc2ccccc2[O-])n1 ZINC000862228226 589195770 /nfs/dbraw/zinc/19/57/70/589195770.db2.gz OACSGJWXWPUBGH-UHFFFAOYSA-N -1 3 231.299 2.056 20 10 BECDHM O=C(NCC1CC=CC1)c1cc([O-])cs1 ZINC000862628442 589229447 /nfs/dbraw/zinc/22/94/47/589229447.db2.gz IAQVAVCBMGTKQI-UHFFFAOYSA-N -1 3 223.297 2.150 20 10 BECDHM Cc1ccc(C(=O)N(C2CC2)C2CC2)c([O-])c1O ZINC000862853013 589244075 /nfs/dbraw/zinc/24/40/75/589244075.db2.gz UPFMARRSEMOQFC-UHFFFAOYSA-N -1 3 247.294 2.173 20 10 BECDHM Cc1cccc([O-])c1CN(C)Cc1cc[nH]n1 ZINC000876721095 590233457 /nfs/dbraw/zinc/23/34/57/590233457.db2.gz FYUJKGOQWHPKBC-UHFFFAOYSA-N -1 3 231.299 2.056 20 10 BECDHM CN(C(=O)c1cccc(O)c1[O-])c1ccccc1 ZINC000126191697 590246650 /nfs/dbraw/zinc/24/66/50/590246650.db2.gz DZVKQSKEXKTPHD-UHFFFAOYSA-N -1 3 243.262 2.374 20 10 BECDHM Cc1cccc(NC(=O)c2cccc(O)c2[O-])n1 ZINC000126217808 590254080 /nfs/dbraw/zinc/25/40/80/590254080.db2.gz NZOWQDMGGVKRKF-UHFFFAOYSA-N -1 3 244.250 2.054 20 10 BECDHM Cc1ccc(CN2CCOCC23CC3)c([O-])c1 ZINC000877504435 590342375 /nfs/dbraw/zinc/34/23/75/590342375.db2.gz KLLSCDSZQBKCOM-UHFFFAOYSA-N -1 3 233.311 2.065 20 10 BECDHM Cc1cc(CN2Cc3cccc([O-])c3C2)no1 ZINC000877703239 590395524 /nfs/dbraw/zinc/39/55/24/590395524.db2.gz XUHBUSJPRJHVNA-UHFFFAOYSA-N -1 3 230.267 2.204 20 10 BECDHM CCn1nccc1CN1Cc2cccc([O-])c2C1 ZINC000877703187 590395602 /nfs/dbraw/zinc/39/56/02/590395602.db2.gz VJHQEERGWIVIFU-UHFFFAOYSA-N -1 3 243.310 2.124 20 10 BECDHM Cc1noc([C@H](C)N[C@H](C)c2ccccc2[O-])n1 ZINC000879648799 590841866 /nfs/dbraw/zinc/84/18/66/590841866.db2.gz FCVCRJMTFRRGCD-BDAKNGLRSA-N -1 3 247.298 2.495 20 10 BECDHM Cc1ccnc(CN[C@H](C)c2ccccc2[O-])n1 ZINC000879649367 590842048 /nfs/dbraw/zinc/84/20/48/590842048.db2.gz ORZPTDDKHUHROT-LLVKDONJSA-N -1 3 243.310 2.341 20 10 BECDHM C[C@@H](NCc1ccnn1C)c1c([O-])cccc1F ZINC000886501220 592239538 /nfs/dbraw/zinc/23/95/38/592239538.db2.gz BBOMRVJXYRJITE-SECBINFHSA-N -1 3 249.289 2.116 20 10 BECDHM C[C@H](NCc1cc[nH]n1)c1c([O-])cccc1F ZINC000886524880 592245205 /nfs/dbraw/zinc/24/52/05/592245205.db2.gz SRJPDPKHOQRGDH-QMMMGPOBSA-N -1 3 235.262 2.105 20 10 BECDHM C[C@@H](NCc1cncn1C)c1c([O-])cccc1F ZINC000886610425 592274851 /nfs/dbraw/zinc/27/48/51/592274851.db2.gz AWVSGZFKIHTDHG-SECBINFHSA-N -1 3 249.289 2.116 20 10 BECDHM Cc1ccc(C(=O)Nc2cccnc2)c([O-])c1O ZINC000179383096 632703530 /nfs/dbraw/zinc/70/35/30/632703530.db2.gz VUJCNXFDYVGNKN-UHFFFAOYSA-N -1 3 244.250 2.054 20 10 BECDHM CC(C)[C@@H](C)C(=O)NCc1c([O-])cccc1F ZINC000928705900 636341483 /nfs/dbraw/zinc/34/14/83/636341483.db2.gz OUFZWBQBVAFKJB-SECBINFHSA-N -1 3 239.290 2.440 20 10 BECDHM O=C(CCC(F)F)NCc1c([O-])cccc1F ZINC000928709208 636341989 /nfs/dbraw/zinc/34/19/89/636341989.db2.gz YPPJAIVSPVDBFA-UHFFFAOYSA-N -1 3 247.216 2.193 20 10 BECDHM CCC[C@@H](C)NC(=O)c1cccc(O)c1[O-] ZINC000163267812 636346352 /nfs/dbraw/zinc/34/63/52/636346352.db2.gz CPXAKYAHYISHGV-MRVPVSSYSA-N -1 3 223.272 2.016 20 10 BECDHM C[C@H]1CCC[C@H]1CNC(=O)c1cccc(O)c1[O-] ZINC000230688284 641087801 /nfs/dbraw/zinc/08/78/01/641087801.db2.gz TWZIFBNYQVBPCJ-UWVGGRQHSA-N -1 3 249.310 2.264 20 10 BECDHM CC(C)C(C)(C)NC(=O)c1cccc(O)c1[O-] ZINC000700486429 711994464 /nfs/dbraw/zinc/99/44/64/711994464.db2.gz WMAHJKYQFXEQOM-UHFFFAOYSA-N -1 3 237.299 2.262 20 10 BECDHM C[C@@]1(NC(=O)c2cccc(O)c2[O-])CC=CCC1 ZINC000398367939 711409907 /nfs/dbraw/zinc/40/99/07/711409907.db2.gz IBABVVPRODGEJI-CQSZACIVSA-N -1 3 247.294 2.326 20 10 BECDHM Cn1cc(NCc2c([O-])cccc2Cl)cn1 ZINC000083552360 711916598 /nfs/dbraw/zinc/91/65/98/711916598.db2.gz ZHUNZBBWUZEPEU-UHFFFAOYSA-N -1 3 237.690 2.391 20 10 BECDHM CCC[C@@H]([NH2+]Cc1ccc(C)cc1[O-])C(=O)[O-] ZINC001605354785 979857658 /nfs/dbraw/zinc/85/76/58/979857658.db2.gz RXAYXXPPYHVOHV-LLVKDONJSA-N -1 3 237.299 2.044 20 10 BECDHM CC[C@@H]([NH2+][C@H](C)c1cc(F)ccc1[O-])C(=O)[O-] ZINC001593606872 953434831 /nfs/dbraw/zinc/43/48/31/953434831.db2.gz BZWFWINEXITSCK-GMSGAONNSA-N -1 3 241.262 2.045 20 10 BECDHM CC[C@@H](C)CCNC(=O)c1cccc(O)c1[O-] ZINC000696255525 962137012 /nfs/dbraw/zinc/13/70/12/962137012.db2.gz FFFHKOLWGIPYEA-SECBINFHSA-N -1 3 237.299 2.264 20 10 BECDHM C[C@@H]1CCN1Cc1cc(F)c(F)cc1[O-] ZINC001142509091 964345723 /nfs/dbraw/zinc/34/57/23/964345723.db2.gz WMRLRSUQDCAOSG-SSDOTTSWSA-N -1 3 213.227 2.265 20 10 BECDHM C[C@@H]([NH2+]CCCC(=O)[O-])c1cc(F)ccc1[O-] ZINC000094617590 967600757 /nfs/dbraw/zinc/60/07/57/967600757.db2.gz NCPHZICKRBMGSV-MRVPVSSYSA-N -1 3 241.262 2.047 20 10 BECDHM CC1CC[NH+](Cc2ccc(C(=O)[O-])cc2[O-])CC1 ZINC001231448583 977593449 /nfs/dbraw/zinc/59/34/49/977593449.db2.gz JLUPCNWJLMEOGD-UHFFFAOYSA-N -1 3 249.310 2.322 20 10 BECDHM COc1cc([O-])c(CN2CCCO2)cc1Cl ZINC001232263930 977986476 /nfs/dbraw/zinc/98/64/76/977986476.db2.gz BPJCSCZEEJKWSO-UHFFFAOYSA-N -1 3 243.690 2.192 20 10 BECDHM CC[C@H]([NH2+]C[C@H](C)C(=O)[O-])c1ccccc1[O-] ZINC001603586184 979475219 /nfs/dbraw/zinc/47/52/19/979475219.db2.gz UFBLHLCGIXVSKR-ONGXEEELSA-N -1 3 237.299 2.154 20 10 BECDHM CC[C@@H]([NH2+]C[C@@H](C)C(=O)[O-])c1ccccc1[O-] ZINC001603586183 979480203 /nfs/dbraw/zinc/48/02/03/979480203.db2.gz UFBLHLCGIXVSKR-MWLCHTKSSA-N -1 3 237.299 2.154 20 10 BECDHM [O-]c1ccc(Cl)cc1CN1CC2(CCO2)C1 ZINC001203663684 980530629 /nfs/dbraw/zinc/53/06/29/980530629.db2.gz DDAYHGUWOVGODX-UHFFFAOYSA-N -1 3 239.702 2.020 20 10 BECDHM C[C@H]([NH2+][C@@H]1CCC[C@@H]1C(=O)[O-])c1ccccc1[O-] ZINC001589132159 982636163 /nfs/dbraw/zinc/63/61/63/982636163.db2.gz ORIKUFLPHAUFRW-ZMLRMANQSA-N -1 3 249.310 2.296 20 10 BECDHM CC1(C)COCCN1Cc1c([O-])cccc1F ZINC001137837742 990855488 /nfs/dbraw/zinc/85/54/88/990855488.db2.gz SNNGNVHEZSABJD-UHFFFAOYSA-N -1 3 239.290 2.142 20 10 BECDHM C[C@@H]1C[C@@H](F)CN1Cc1cccc(F)c1[O-] ZINC001138122520 990884950 /nfs/dbraw/zinc/88/49/50/990884950.db2.gz KTAXPYWZMJNXAH-PSASIEDQSA-N -1 3 227.254 2.464 20 10 BECDHM O=C1CCCN(Cc2cccc(F)c2[O-])CC1 ZINC001138123641 990886436 /nfs/dbraw/zinc/88/64/36/990886436.db2.gz DPDJJEAXMXYGHQ-UHFFFAOYSA-N -1 3 237.274 2.086 20 10 BECDHM [O-]c1cccc(Cl)c1CN1CC2(CCO2)C1 ZINC001140341462 991610987 /nfs/dbraw/zinc/61/09/87/991610987.db2.gz PCFWEFKYMSDRMJ-UHFFFAOYSA-N -1 3 239.702 2.020 20 10 BECDHM C[C@H]([NH2+][C@H]1CC[C@@H](C(=O)[O-])C1)c1ccccc1[O-] ZINC001593357674 995011235 /nfs/dbraw/zinc/01/12/35/995011235.db2.gz WOJAPLNXZMJVLF-AXFHLTTASA-N -1 3 249.310 2.296 20 10 BECDHM Cc1ccnc(NCc2c([O-])cccc2F)n1 ZINC001612950681 1170466232 /nfs/dbraw/zinc/46/62/32/1170466232.db2.gz USZYLJSDOHNMLA-UHFFFAOYSA-N -1 3 233.246 2.242 20 10 BECDHM Cc1ccc(C(=O)N2CCC[C@H](C)C2)c([O-])c1O ZINC000177659583 178388556 /nfs/dbraw/zinc/38/85/56/178388556.db2.gz QOYDEDHLJGMXQC-VIFPVBQESA-N -1 3 249.310 2.278 20 10 BECDHM CC[C@@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000126264718 345112773 /nfs/dbraw/zinc/11/27/73/345112773.db2.gz GRSOHJIZVXOKJF-SNVBAGLBSA-N -1 3 249.310 2.360 20 10 BECDHM Cc1nsc(NCc2c([O-])cccc2F)n1 ZINC001640434601 1172170353 /nfs/dbraw/zinc/17/03/53/1172170353.db2.gz DYSGZHCALLUCCB-UHFFFAOYSA-N -1 3 239.275 2.303 20 10 BECDHM O=C(Nc1ccccc1)c1cc(O)c([O-])c(O)c1 ZINC000005933923 182376918 /nfs/dbraw/zinc/37/69/18/182376918.db2.gz HLVGXGQCLASQJU-UHFFFAOYSA-N -1 3 245.234 2.056 20 10 BECDHM CCC[C@@H](CC)NC(=O)c1cccc(O)c1[O-] ZINC000126374191 169378169 /nfs/dbraw/zinc/37/81/69/169378169.db2.gz YBSKMRRMBPXCSP-SECBINFHSA-N -1 3 237.299 2.406 20 10 BECDHM Cc1occc1C(=O)NCc1c([O-])cccc1F ZINC001645048215 1172630748 /nfs/dbraw/zinc/63/07/48/1172630748.db2.gz LQOWZYVATXAQST-UHFFFAOYSA-N -1 3 249.241 2.363 20 10 BECDHM C[C@H](O)CCN(C)Cc1c([O-])cccc1Cl ZINC000127679768 384935852 /nfs/dbraw/zinc/93/58/52/384935852.db2.gz GQMWWPVUMVKLCO-VIFPVBQESA-N -1 3 243.734 2.248 20 10 BECDHM CC[C@H]1CCC[C@H]1NC(=O)c1cccc(O)c1[O-] ZINC000279293213 385092589 /nfs/dbraw/zinc/09/25/89/385092589.db2.gz MOBJHBAYZMIFJC-GXSJLCMTSA-N -1 3 249.310 2.406 20 10 BECDHM Cc1ccc(C(=O)NCC(C)(C)C)c([O-])c1O ZINC000179455769 385467140 /nfs/dbraw/zinc/46/71/40/385467140.db2.gz NWBQXNVDLMPTNF-UHFFFAOYSA-N -1 3 237.299 2.182 20 10 BECDHM Cc1noc(C(C)(C)NCc2ccccc2[O-])n1 ZINC000284013017 385845350 /nfs/dbraw/zinc/84/53/50/385845350.db2.gz NBNROMALVOSHMJ-UHFFFAOYSA-N -1 3 247.298 2.109 20 10 BECDHM Cc1cnn(C)c1CN(C)Cc1ccccc1[O-] ZINC000288966176 386246377 /nfs/dbraw/zinc/24/63/77/386246377.db2.gz BICSNUCEYQTCCL-UHFFFAOYSA-N -1 3 245.326 2.066 20 10 BECDHM CO[C@@H]1CCCN(Cc2cccc(F)c2[O-])C1 ZINC000226562457 386334013 /nfs/dbraw/zinc/33/40/13/386334013.db2.gz NXRVQKUWVAAYCG-LLVKDONJSA-N -1 3 239.290 2.142 20 10 BECDHM Cc1ccc(C(=O)NCC2CCCC2)c([O-])c1O ZINC000267549713 386555045 /nfs/dbraw/zinc/55/50/45/386555045.db2.gz CLINZLHSTVVULK-UHFFFAOYSA-N -1 3 249.310 2.326 20 10 BECDHM CN(Cc1ccno1)Cc1ccccc1[O-] ZINC000264687207 397923415 /nfs/dbraw/zinc/92/34/15/397923415.db2.gz FXWYVMQQROLWHB-UHFFFAOYSA-N -1 3 218.256 2.012 20 10 BECDHM COCCN(C)Cc1cccc(Cl)c1[O-] ZINC000162808777 174281004 /nfs/dbraw/zinc/28/10/04/174281004.db2.gz CSVMEVGUGZEDHH-UHFFFAOYSA-N -1 3 229.707 2.124 20 10 BECDHM C[C@@H]1CCCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000126414616 176095357 /nfs/dbraw/zinc/09/53/57/176095357.db2.gz XZCBPIDZARDWJZ-SNVBAGLBSA-N -1 3 249.310 2.360 20 10 BECDHM C[C@H]1CN(Cc2cccc(F)c2[O-])C[C@H](C)O1 ZINC000160198440 177265099 /nfs/dbraw/zinc/26/50/99/177265099.db2.gz TYWHBDQQVFTAQC-UWVGGRQHSA-N -1 3 239.290 2.141 20 10 BECDHM O=C(NCC1=CCCC1)c1cc([O-])cs1 ZINC000856097059 588860178 /nfs/dbraw/zinc/86/01/78/588860178.db2.gz XZPMJRJZOGIOOK-UHFFFAOYSA-N -1 3 223.297 2.294 20 10 BECDHM COc1cccc([O-])c1CNCc1ccoc1 ZINC000725846450 582903293 /nfs/dbraw/zinc/90/32/93/582903293.db2.gz IXXOHXCVFSXTRE-UHFFFAOYSA-N -1 3 233.267 2.284 20 10 BECDHM CC1(C)CC(NC(=O)c2cc([O-])cs2)C1 ZINC000856335855 588867623 /nfs/dbraw/zinc/86/76/23/588867623.db2.gz HPLGKQPXTKOYMP-UHFFFAOYSA-N -1 3 225.313 2.372 20 10 BECDHM CN(Cc1cscn1)Cc1ccccc1[O-] ZINC000111235075 583032458 /nfs/dbraw/zinc/03/24/58/583032458.db2.gz XJPFSJOETNBSGM-UHFFFAOYSA-N -1 3 234.324 2.481 20 10 BECDHM [O-]c1ccccc1CN1CC[C@H]1C(F)F ZINC000895436713 583674608 /nfs/dbraw/zinc/67/46/08/583674608.db2.gz POLBIQRRZPQEKV-VIFPVBQESA-N -1 3 213.227 2.232 20 10 BECDHM CCn1cncc1CNCc1c([O-])cccc1F ZINC000896638877 583819801 /nfs/dbraw/zinc/81/98/01/583819801.db2.gz RRARZEPZAUQXCJ-UHFFFAOYSA-N -1 3 249.289 2.038 20 10 BECDHM CCn1cc(CNCc2c([O-])cccc2F)cn1 ZINC000896640311 583820410 /nfs/dbraw/zinc/82/04/10/583820410.db2.gz JTQCWDGQCMWTNS-UHFFFAOYSA-N -1 3 249.289 2.038 20 10 BECDHM C[C@H](NCc1cn(C)cn1)c1cc(F)ccc1[O-] ZINC000903351360 584755277 /nfs/dbraw/zinc/75/52/77/584755277.db2.gz KAXNWHAPGWXKQW-VIFPVBQESA-N -1 3 249.289 2.116 20 10 BECDHM Cc1noc([C@@H](C)N(C)Cc2ccccc2[O-])n1 ZINC000731843085 584929553 /nfs/dbraw/zinc/92/95/53/584929553.db2.gz UETCKLHMPVNVFA-SECBINFHSA-N -1 3 247.298 2.277 20 10 BECDHM Cc1ccc(NC(=O)c2cc([O-])cs2)nc1 ZINC000731863766 584929675 /nfs/dbraw/zinc/92/96/75/584929675.db2.gz CMMLXCOLRIMJFQ-UHFFFAOYSA-N -1 3 234.280 2.409 20 10 BECDHM CC(C)CN(C)C(=O)c1cc([O-])cs1 ZINC000731871207 584930140 /nfs/dbraw/zinc/93/01/40/584930140.db2.gz FYOARZANISIQKH-UHFFFAOYSA-N -1 3 213.302 2.182 20 10 BECDHM C[C@@H]1CCCCN1C(=O)c1cc([O-])cs1 ZINC000732258406 584934882 /nfs/dbraw/zinc/93/48/82/584934882.db2.gz NGZUTCIXYJEHGR-MRVPVSSYSA-N -1 3 225.313 2.468 20 10 BECDHM Cc1occc1CNC(=O)c1cc([O-])cs1 ZINC000732276055 584935319 /nfs/dbraw/zinc/93/53/19/584935319.db2.gz DZVITQGSZGOHRY-UHFFFAOYSA-N -1 3 237.280 2.285 20 10 BECDHM O=C(OCc1cscn1)c1cc([O-])cs1 ZINC000732353494 584936171 /nfs/dbraw/zinc/93/61/71/584936171.db2.gz RGOQAYKDRYSMRC-UHFFFAOYSA-N -1 3 241.293 2.267 20 10 BECDHM O=C(O[C@@H]1CCCCC1=O)c1cc([O-])cs1 ZINC000732353850 584936178 /nfs/dbraw/zinc/93/61/78/584936178.db2.gz BMDVAZFVTMPMEN-SECBINFHSA-N -1 3 240.280 2.122 20 10 BECDHM CCOC1(C)CN(Cc2ccccc2[O-])C1 ZINC000839142042 585094791 /nfs/dbraw/zinc/09/47/91/585094791.db2.gz FOFVSPYFIMODTD-UHFFFAOYSA-N -1 3 221.300 2.003 20 10 BECDHM CN(C(=O)c1cc([O-])cs1)C1CCC1 ZINC000743717443 585138957 /nfs/dbraw/zinc/13/89/57/585138957.db2.gz FYPNZNAZYKQGLJ-UHFFFAOYSA-N -1 3 211.286 2.078 20 10 BECDHM CSCCCOC(=O)c1cc([O-])cs1 ZINC000745001831 585155222 /nfs/dbraw/zinc/15/52/22/585155222.db2.gz BLZWISMLNRBHPR-UHFFFAOYSA-N -1 3 232.326 2.364 20 10 BECDHM O=C(N[C@@H]1CCCSC1)c1cc([O-])cs1 ZINC000748858589 585197371 /nfs/dbraw/zinc/19/73/71/585197371.db2.gz NTSVROHNHVHULV-SSDOTTSWSA-N -1 3 243.353 2.079 20 10 BECDHM C[C@H]1CCCN1C(=O)c1cc([O-])cs1 ZINC000752807725 585250421 /nfs/dbraw/zinc/25/04/21/585250421.db2.gz MDEFHVKDXMRGHF-ZETCQYMHSA-N -1 3 211.286 2.078 20 10 BECDHM C[C@@H]1CC[C@@H](C)N1C(=O)c1cc([O-])cs1 ZINC000758345635 585354247 /nfs/dbraw/zinc/35/42/47/585354247.db2.gz MBYNSGAISSNTOF-HTQZYQBOSA-N -1 3 225.313 2.467 20 10 BECDHM COc1cc(Cl)cc(CN2CC(F)C2)c1[O-] ZINC000761217845 585412316 /nfs/dbraw/zinc/41/23/16/585412316.db2.gz YAUDQKKXIJSYDP-UHFFFAOYSA-N -1 3 245.681 2.208 20 10 BECDHM Cc1ncsc1NC(=O)c1cc([O-])cs1 ZINC000761608088 585417640 /nfs/dbraw/zinc/41/76/40/585417640.db2.gz LHNVYTRESYXDMY-UHFFFAOYSA-N -1 3 240.309 2.471 20 10 BECDHM COc1cccc([O-])c1CN(C)Cc1ccon1 ZINC000769466672 585558131 /nfs/dbraw/zinc/55/81/31/585558131.db2.gz PBQXGDGILJAQRN-UHFFFAOYSA-N -1 3 248.282 2.021 20 10 BECDHM O=C(OCCOC1CCC1)c1cc([O-])cs1 ZINC000805450253 585599773 /nfs/dbraw/zinc/59/97/73/585599773.db2.gz SYBGOGANQGPRMX-UHFFFAOYSA-N -1 3 242.296 2.180 20 10 BECDHM Cc1ccc(C(=O)N2CCC2(C)C)c([O-])c1O ZINC000780949694 585786381 /nfs/dbraw/zinc/78/63/81/585786381.db2.gz MYTSJXFJJWOOCM-UHFFFAOYSA-N -1 3 235.283 2.031 20 10 BECDHM Cc1ccc(C(=O)N2C[C@H](C)C[C@H]2C)c([O-])c1O ZINC000780948828 585787138 /nfs/dbraw/zinc/78/71/38/585787138.db2.gz HPPWRKPNOFJUGI-PSASIEDQSA-N -1 3 249.310 2.277 20 10 BECDHM Cc1ccc(C(=O)NCCCC2CC2)c([O-])c1O ZINC000780945739 585787148 /nfs/dbraw/zinc/78/71/48/585787148.db2.gz NYHOQBIHOAWZHL-UHFFFAOYSA-N -1 3 249.310 2.326 20 10 BECDHM C[C@H]1CC[C@H](NC(=O)c2cc([O-])cs2)C1 ZINC000782048015 585807576 /nfs/dbraw/zinc/80/75/76/585807576.db2.gz GGZNUPBSVNUCOE-YUMQZZPRSA-N -1 3 225.313 2.372 20 10 BECDHM CC(C)=CCNC(=O)c1cc([O-])cs1 ZINC000792498539 586001254 /nfs/dbraw/zinc/00/12/54/586001254.db2.gz ICMBAPGYQLBQDT-UHFFFAOYSA-N -1 3 211.286 2.150 20 10 BECDHM O=C(OCc1ccncc1)c1cc([O-])cs1 ZINC000803346699 586346334 /nfs/dbraw/zinc/34/63/34/586346334.db2.gz XKXLONHJYMGCAF-UHFFFAOYSA-N -1 3 235.264 2.206 20 10 BECDHM C[C@H]1CN(Cc2cccc(F)c2[O-])[C@H]1C ZINC000816646814 586749663 /nfs/dbraw/zinc/74/96/63/586749663.db2.gz JHYPPZRXJGRMRM-IUCAKERBSA-N -1 3 209.264 2.372 20 10 BECDHM Cc1nnsc1CN(C)Cc1ccccc1[O-] ZINC000821390432 587116113 /nfs/dbraw/zinc/11/61/13/587116113.db2.gz ARKJCOXYXLDPSK-UHFFFAOYSA-N -1 3 249.339 2.184 20 10 BECDHM CCn1ccnc1[C@H](C)NCc1ccccc1[O-] ZINC000825005663 587298104 /nfs/dbraw/zinc/29/81/04/587298104.db2.gz PRXWTWDJEAOPIN-NSHDSACASA-N -1 3 245.326 2.459 20 10 BECDHM CC(C)N(C(=O)c1cc([O-])cs1)C1CC1 ZINC000825901248 587344727 /nfs/dbraw/zinc/34/47/27/587344727.db2.gz XFDXTVDVHGNLSV-UHFFFAOYSA-N -1 3 225.313 2.467 20 10 BECDHM C[C@@H](NCc1cc(F)ccc1[O-])c1nccn1C ZINC000827722853 587399317 /nfs/dbraw/zinc/39/93/17/587399317.db2.gz XXBGDINWWCOPKV-SECBINFHSA-N -1 3 249.289 2.116 20 10 BECDHM CC1(C)CCN1C(=O)c1cc([O-])cs1 ZINC000828412228 587440605 /nfs/dbraw/zinc/44/06/05/587440605.db2.gz BZHCKHVAUQLUCE-UHFFFAOYSA-N -1 3 211.286 2.078 20 10 BECDHM CC(C)(NC(=O)c1cc([O-])cs1)C1CC1 ZINC000828627876 587455162 /nfs/dbraw/zinc/45/51/62/587455162.db2.gz HGICPHYXYIWMHW-UHFFFAOYSA-N -1 3 225.313 2.372 20 10 BECDHM O=C(c1cc([O-])cs1)N1CC[C@H]1C1CC1 ZINC000833690132 587728090 /nfs/dbraw/zinc/72/80/90/587728090.db2.gz JEVGTSOXZSZGGI-VIFPVBQESA-N -1 3 223.297 2.078 20 10 BECDHM COC1(COC(=O)c2cc([O-])cs2)CCC1 ZINC000837512881 587879213 /nfs/dbraw/zinc/87/92/13/587879213.db2.gz CYRXSTYBJRTVBU-UHFFFAOYSA-N -1 3 242.296 2.180 20 10 BECDHM COCCN(C)Cc1c([O-])cc(C)cc1Cl ZINC000840909204 587929272 /nfs/dbraw/zinc/92/92/72/587929272.db2.gz CAZQYNQSHSIVSB-UHFFFAOYSA-N -1 3 243.734 2.432 20 10 BECDHM Cc1cc([O-])c(CN(C)CCCO)c(Cl)c1 ZINC000840942375 587931356 /nfs/dbraw/zinc/93/13/56/587931356.db2.gz CQPUEFICWANRBN-UHFFFAOYSA-N -1 3 243.734 2.168 20 10 BECDHM CCOc1ccc(CNCc2ccno2)c([O-])c1 ZINC000843402847 588106423 /nfs/dbraw/zinc/10/64/23/588106423.db2.gz PTQFQOGCHQDQAG-UHFFFAOYSA-N -1 3 248.282 2.069 20 10 BECDHM CC(C)(F)CNCc1cc([N+](=O)[O-])ccc1[O-] ZINC000865654829 589454602 /nfs/dbraw/zinc/45/46/02/589454602.db2.gz WKCAZYSUSJUWKC-UHFFFAOYSA-N -1 3 242.250 2.138 20 10 BECDHM CC[C@@H](C)N(CC)C(=O)c1cccc(O)c1[O-] ZINC000126247125 590260477 /nfs/dbraw/zinc/26/04/77/590260477.db2.gz HAPNQXZOGIDYJJ-SECBINFHSA-N -1 3 237.299 2.358 20 10 BECDHM O=C(Nc1cccc(O)c1)c1cccc(O)c1[O-] ZINC000126572433 590350655 /nfs/dbraw/zinc/35/06/55/590350655.db2.gz UHBUDXCKUOUGSL-UHFFFAOYSA-N -1 3 245.234 2.056 20 10 BECDHM Cc1ccc(CN(C2CC2)C2COC2)c([O-])c1 ZINC000877557731 590358886 /nfs/dbraw/zinc/35/88/86/590358886.db2.gz PGOSIHFJZHVAGU-UHFFFAOYSA-N -1 3 233.311 2.064 20 10 BECDHM Cc1cc(CN[C@H](C)c2ccccc2[O-])nn1C ZINC000877755576 590416658 /nfs/dbraw/zinc/41/66/58/590416658.db2.gz FWFTVQGRCFKEKA-LLVKDONJSA-N -1 3 245.326 2.285 20 10 BECDHM O=c1cc(CSc2nccs2)occ1[O-] ZINC000126871902 590478002 /nfs/dbraw/zinc/47/80/02/590478002.db2.gz JBAQLHBZLBKQBC-UHFFFAOYSA-N -1 3 241.293 2.094 20 10 BECDHM CCc1nnc(CN[C@H](C)c2ccccc2[O-])o1 ZINC000879647870 590841211 /nfs/dbraw/zinc/84/12/11/590841211.db2.gz OTIALOJRAQSUQR-SECBINFHSA-N -1 3 247.298 2.188 20 10 BECDHM Cc1nnc([C@@H](C)N[C@@H](C)c2ccccc2[O-])o1 ZINC000879651851 590843419 /nfs/dbraw/zinc/84/34/19/590843419.db2.gz MXRQGGXYAKRXST-DTWKUNHWSA-N -1 3 247.298 2.495 20 10 BECDHM O=C(NC[C@H]1C=CCC1)c1cc([O-])cs1 ZINC000881495346 591218256 /nfs/dbraw/zinc/21/82/56/591218256.db2.gz VBABJKHDQTZIMN-QMMMGPOBSA-N -1 3 223.297 2.150 20 10 BECDHM O=C(c1cc([O-])cs1)N1CCC[C@@H](CF)C1 ZINC000881594553 591249874 /nfs/dbraw/zinc/24/98/74/591249874.db2.gz DUGLCGBDHBQPTG-QMMMGPOBSA-N -1 3 243.303 2.275 20 10 BECDHM O=C(c1cc([O-])cs1)N1CCC(F)CC1 ZINC000881608068 591255256 /nfs/dbraw/zinc/25/52/56/591255256.db2.gz LAIGHVTWNNXIAX-UHFFFAOYSA-N -1 3 229.276 2.028 20 10 BECDHM CC(C)[C@H]([NH2+][C@H](C)c1ccccc1[O-])C(=O)[O-] ZINC000043429654 597733276 /nfs/dbraw/zinc/73/32/76/597733276.db2.gz IBIKHMFRVVGBGW-SKDRFNHKSA-N -1 3 237.299 2.152 20 10 BECDHM CC[C@@H]([NH2+]CCCC(=O)[O-])c1ccccc1[O-] ZINC000037417617 597808148 /nfs/dbraw/zinc/80/81/48/597808148.db2.gz QIBWRNYFRGBPOH-LLVKDONJSA-N -1 3 237.299 2.298 20 10 BECDHM CCCC[C@@H]([NH2+]Cc1ccccc1[O-])C(=O)[O-] ZINC000084828582 631451030 /nfs/dbraw/zinc/45/10/30/631451030.db2.gz XDZZMYQLPXYQHR-LLVKDONJSA-N -1 3 237.299 2.125 20 10 BECDHM CC[C@@H](C)[N@H+](CC(=O)[O-])Cc1ccccc1[O-] ZINC000086752540 631471276 /nfs/dbraw/zinc/47/12/76/631471276.db2.gz LSSJLGJGIMZPGL-SNVBAGLBSA-N -1 3 237.299 2.077 20 10 BECDHM CC[C@@H](C)[N@@H+](CC(=O)[O-])Cc1ccccc1[O-] ZINC000086752540 631471280 /nfs/dbraw/zinc/47/12/80/631471280.db2.gz LSSJLGJGIMZPGL-SNVBAGLBSA-N -1 3 237.299 2.077 20 10 BECDHM CCC(C)(CC)NC(=O)c1cccc(O)c1[O-] ZINC000185648697 643349470 /nfs/dbraw/zinc/34/94/70/643349470.db2.gz IFYNHDBDYKZFDV-UHFFFAOYSA-N -1 3 237.299 2.406 20 10 BECDHM C[C@H](NCc1ccn(C)n1)c1c([O-])cccc1F ZINC000886558830 645888066 /nfs/dbraw/zinc/88/80/66/645888066.db2.gz SXYZZHQZSDPVBM-VIFPVBQESA-N -1 3 249.289 2.116 20 10 BECDHM [O-]c1ccc(F)c(F)c1CN1CC=CC1 ZINC001233331827 978561042 /nfs/dbraw/zinc/56/10/42/978561042.db2.gz MOFTZDPVRQZWPC-UHFFFAOYSA-N -1 3 211.211 2.042 20 10 BECDHM Cc1ccc([C@H](C)[NH2+][C@@H](C)CC(=O)[O-])c([O-])c1 ZINC001611171505 970923193 /nfs/dbraw/zinc/92/31/93/970923193.db2.gz QANVXLVQRURWPJ-UWVGGRQHSA-N -1 3 237.299 2.214 20 10 BECDHM CC(=O)c1cc(Nc2ccc(F)cc2[O-])ccn1 ZINC001210593139 957815188 /nfs/dbraw/zinc/81/51/88/957815188.db2.gz YWBQFEOQMMFJRS-UHFFFAOYSA-N -1 3 246.241 2.294 20 10 BECDHM [O-]c1ccc(Cl)cc1CN1C[C@H]2C[C@@H](C1)O2 ZINC001203664252 966731160 /nfs/dbraw/zinc/73/11/60/966731160.db2.gz UKKFTYHNRMASMZ-PHIMTYICSA-N -1 3 239.702 2.019 20 10 BECDHM CCCc1nnc(-c2cccc(O)c2[O-])o1 ZINC001253938273 969425664 /nfs/dbraw/zinc/42/56/64/969425664.db2.gz CAKRYBWQSIAZKZ-UHFFFAOYSA-N -1 3 220.228 2.100 20 10 BECDHM CC(=O)c1cc(Nc2cccc(F)c2[O-])ccn1 ZINC001210597801 969971152 /nfs/dbraw/zinc/97/11/52/969971152.db2.gz PJVKPORSDULVTR-UHFFFAOYSA-N -1 3 246.241 2.294 20 10 BECDHM C[C@H]1CN(C(=O)c2cccc(O)c2[O-])C2(CC2)C1 ZINC001148218578 973813598 /nfs/dbraw/zinc/81/35/98/973813598.db2.gz GHYPGLFOUUWOFZ-SECBINFHSA-N -1 3 247.294 2.112 20 10 BECDHM O=C([O-])c1ccc([O-])c(C[N@@H+]2C[C@H]3CC[C@@H]2C3)c1 ZINC001231563467 977635011 /nfs/dbraw/zinc/63/50/11/977635011.db2.gz AREZZCNZUSVZNR-JOYOIKCWSA-N -1 3 247.294 2.075 20 10 BECDHM O=C([O-])c1ccc([O-])c(C[N@H+]2C[C@H]3CC[C@@H]2C3)c1 ZINC001231563467 977635018 /nfs/dbraw/zinc/63/50/18/977635018.db2.gz AREZZCNZUSVZNR-JOYOIKCWSA-N -1 3 247.294 2.075 20 10 BECDHM CC[C@@H]1CCC[N@@H+]1Cc1cc(C(=O)[O-])ccc1[O-] ZINC001231564925 977636917 /nfs/dbraw/zinc/63/69/17/977636917.db2.gz KIPNRDDXJRIAQA-GFCCVEGCSA-N -1 3 249.310 2.465 20 10 BECDHM CC[C@@H]1CCC[N@H+]1Cc1cc(C(=O)[O-])ccc1[O-] ZINC001231564925 977636926 /nfs/dbraw/zinc/63/69/26/977636926.db2.gz KIPNRDDXJRIAQA-GFCCVEGCSA-N -1 3 249.310 2.465 20 10 BECDHM [O-]c1ccc(F)c(Cl)c1CN1CCC1 ZINC001237122602 979820747 /nfs/dbraw/zinc/82/07/47/979820747.db2.gz WPOJMTREVUEOIK-UHFFFAOYSA-N -1 3 215.655 2.390 20 10 BECDHM CC(C)(C)[C@H]1CCN1C(=O)c1cccc(O)c1[O-] ZINC001347701275 981149199 /nfs/dbraw/zinc/14/91/99/981149199.db2.gz UBXUAIOQBWZDCR-LLVKDONJSA-N -1 3 249.310 2.358 20 10 BECDHM CC[C@H]1COCCN1Cc1cccc(F)c1[O-] ZINC000160200956 982515027 /nfs/dbraw/zinc/51/50/27/982515027.db2.gz LXLUTTYAVBHROC-NSHDSACASA-N -1 3 239.290 2.142 20 10 BECDHM C[C@H]([NH2+][C@@H]1CC[C@H](C(=O)[O-])C1)c1ccccc1[O-] ZINC001589137302 982636430 /nfs/dbraw/zinc/63/64/30/982636430.db2.gz WOJAPLNXZMJVLF-GARJFASQSA-N -1 3 249.310 2.296 20 10 BECDHM CC[C@H]([NH2+][C@H](C)CC(=O)[O-])c1ccccc1[O-] ZINC001589569548 982833056 /nfs/dbraw/zinc/83/30/56/982833056.db2.gz XEKPGPAQRYCGSW-KOLCDFICSA-N -1 3 237.299 2.296 20 10 BECDHM CC[C@@H](C)NC(=O)NCc1c([O-])cccc1F ZINC001356383032 983599427 /nfs/dbraw/zinc/59/94/27/983599427.db2.gz UYCGQGMRGJRZDZ-MRVPVSSYSA-N -1 3 240.278 2.129 20 10 BECDHM C/C=C\C[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001594685984 987059726 /nfs/dbraw/zinc/05/97/26/987059726.db2.gz KHXACJWJYLBLRN-TYRPZCRBSA-N -1 3 235.283 2.317 20 10 BECDHM CC[C@H]1COCCN1Cc1c([O-])cccc1F ZINC001137839253 990859116 /nfs/dbraw/zinc/85/91/16/990859116.db2.gz YKIXHBAUVKBXTQ-JTQLQIEISA-N -1 3 239.290 2.142 20 10 BECDHM CSCCN(C)Cc1c(F)ccc(F)c1[O-] ZINC001139688047 991316723 /nfs/dbraw/zinc/31/67/23/991316723.db2.gz XJOHHJVTMBUKCZ-UHFFFAOYSA-N -1 3 247.310 2.465 20 10 BECDHM [O-]c1ccc(F)cc1CN1Cc2cccnc2C1 ZINC001140057698 991510509 /nfs/dbraw/zinc/51/05/09/991510509.db2.gz KREAPCKYGPUMIO-UHFFFAOYSA-N -1 3 244.269 2.442 20 10 BECDHM CC(=O)CN(C)Cc1ccc(Cl)cc1[O-] ZINC001140462846 991644576 /nfs/dbraw/zinc/64/45/76/991644576.db2.gz MKHJKXBLOQBBDY-UHFFFAOYSA-N -1 3 227.691 2.066 20 10 BECDHM C[C@@H]([NH2+]CC1CC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001609780195 1170289775 /nfs/dbraw/zinc/28/97/75/1170289775.db2.gz TYQWGIZQPLYZJX-MRVPVSSYSA-N -1 3 235.283 2.151 20 10 BECDHM C[C@@H](NCc1ccnn1C)c1ccc(F)cc1[O-] ZINC000071333654 398147183 /nfs/dbraw/zinc/14/71/83/398147183.db2.gz JWNZXKUHKNLSKY-SECBINFHSA-N -1 3 249.289 2.116 20 10 BECDHM CN(Cc1ccon1)Cc1ccccc1[O-] ZINC000077284310 398255481 /nfs/dbraw/zinc/25/54/81/398255481.db2.gz RSQXPDFIPIAUIC-UHFFFAOYSA-N -1 3 218.256 2.012 20 10 BECDHM Cc1ccc(C(=O)N2CC[C@H](C)[C@@H]2C)c([O-])c1O ZINC000182557976 178397459 /nfs/dbraw/zinc/39/74/59/178397459.db2.gz WWCMDGXTTJKNJP-WPRPVWTQSA-N -1 3 249.310 2.277 20 10 BECDHM Cc1nc(CNCc2ccccc2[O-])cs1 ZINC000041010307 343412614 /nfs/dbraw/zinc/41/26/14/343412614.db2.gz AGLRTCCTJDKTAN-UHFFFAOYSA-N -1 3 234.324 2.447 20 10 BECDHM [O-]c1c(Cl)cccc1CN1CCC[C@H]1CO ZINC000132495283 183120534 /nfs/dbraw/zinc/12/05/34/183120534.db2.gz COINNAJGCVIGME-JTQLQIEISA-N -1 3 241.718 2.002 20 10 BECDHM CCCN(CC1CC1)C(=O)c1cccc(O)c1[O-] ZINC000126289429 169136504 /nfs/dbraw/zinc/13/65/04/169136504.db2.gz FRJFLYNQGHVQNX-UHFFFAOYSA-N -1 3 249.310 2.360 20 10 BECDHM Cc1ccc([C@@H](C)NCc2nccn2C)c([O-])c1 ZINC000071273085 384159380 /nfs/dbraw/zinc/15/93/80/384159380.db2.gz NREQDJHUNKTKSO-LLVKDONJSA-N -1 3 245.326 2.285 20 10 BECDHM C[C@H](NCc1cnn(C)c1)c1ccc(F)cc1[O-] ZINC000062748117 385188387 /nfs/dbraw/zinc/18/83/87/385188387.db2.gz QGDGKDODDILLFV-VIFPVBQESA-N -1 3 249.289 2.116 20 10 BECDHM C[C@@H]1[C@H](C)OCCN1Cc1cccc(F)c1[O-] ZINC000272287917 385166437 /nfs/dbraw/zinc/16/64/37/385166437.db2.gz NTFOCUYGTNCSCZ-ZJUUUORDSA-N -1 3 239.290 2.141 20 10 BECDHM O=C(c1cccc(O)c1[O-])N1CC2CCC1CC2 ZINC000311153458 385341986 /nfs/dbraw/zinc/34/19/86/385341986.db2.gz WMBWKWZPHUUHCT-UHFFFAOYSA-N -1 3 247.294 2.112 20 10 BECDHM [O-]c1ccccc1CN1CCC[C@H]1c1ncon1 ZINC000361053746 385527721 /nfs/dbraw/zinc/52/77/21/385527721.db2.gz SNZIRWJWZPTBPI-NSHDSACASA-N -1 3 245.282 2.112 20 10 BECDHM O=C(c1cccc(O)c1[O-])N1C[C@H]2CCCC[C@H]21 ZINC000365761025 385743058 /nfs/dbraw/zinc/74/30/58/385743058.db2.gz FLUIRWZMUGPNIJ-MWLCHTKSSA-N -1 3 247.294 2.112 20 10 BECDHM Cc1ccc(C(=O)N[C@@H]2CCC2(C)C)c([O-])c1O ZINC000287415745 386118259 /nfs/dbraw/zinc/11/82/59/386118259.db2.gz ZRUFIKICEGXKEX-SNVBAGLBSA-N -1 3 249.310 2.325 20 10 BECDHM C[C@@H](NCc1cccc(F)c1[O-])c1cn[nH]c1 ZINC000226618312 386343493 /nfs/dbraw/zinc/34/34/93/386343493.db2.gz PNGIIZSTMDTICN-MRVPVSSYSA-N -1 3 235.262 2.105 20 10 BECDHM CN(C)Cc1c([O-])cccc1Br ZINC000575553063 387655807 /nfs/dbraw/zinc/65/58/07/387655807.db2.gz UDCWEPRMJQEUHU-UHFFFAOYSA-N -1 3 230.105 2.216 20 10 BECDHM CC[C@@H](C)[C@H](C)NC(=O)c1cccc(O)c1[O-] ZINC000126296463 387676935 /nfs/dbraw/zinc/67/69/35/387676935.db2.gz BSICYAOLSTVCCT-BDAKNGLRSA-N -1 3 237.299 2.262 20 10 BECDHM CC[C@@H](C)CN(C)C(=O)c1cccc(O)c1[O-] ZINC000126247726 387677962 /nfs/dbraw/zinc/67/79/62/387677962.db2.gz YXHXWNOHMIAOST-SECBINFHSA-N -1 3 237.299 2.216 20 10 BECDHM CC1(CNC(=O)c2cccc(O)c2[O-])CCC1 ZINC000193128943 168038331 /nfs/dbraw/zinc/03/83/31/168038331.db2.gz LMPCDRGKIGKGII-UHFFFAOYSA-N -1 3 235.283 2.018 20 10 BECDHM CCC(C)(C)CNC(=O)c1cccc(O)c1[O-] ZINC000189996874 168280266 /nfs/dbraw/zinc/28/02/66/168280266.db2.gz VCXBHYGHIHRNBN-UHFFFAOYSA-N -1 3 237.299 2.264 20 10 BECDHM CC[C@H](C)[C@H](C)NC(=O)c1cccc(O)c1[O-] ZINC000126296694 171388009 /nfs/dbraw/zinc/38/80/09/171388009.db2.gz BSICYAOLSTVCCT-IUCAKERBSA-N -1 3 237.299 2.262 20 10 BECDHM C[C@H]1CCCC[C@H]1NC(=O)c1cccc(O)c1[O-] ZINC000126224521 177088031 /nfs/dbraw/zinc/08/80/31/177088031.db2.gz DFOOMUPIFJVAQV-GXSJLCMTSA-N -1 3 249.310 2.406 20 10 BECDHM C[C@H]1CCCN(C(=O)c2cccc(O)c2[O-])[C@H]1C ZINC000126376266 177095167 /nfs/dbraw/zinc/09/51/67/177095167.db2.gz OHFBWKWLMVUWFM-UWVGGRQHSA-N -1 3 249.310 2.358 20 10 BECDHM C[C@H]1CSCCN1Cc1cccc(F)c1[O-] ZINC000272253595 177305454 /nfs/dbraw/zinc/30/54/54/177305454.db2.gz ITSNBPJFZOSADA-VIFPVBQESA-N -1 3 241.331 2.469 20 10 BECDHM O=C(NC1CCCC1)c1cc([O-])cs1 ZINC000731864303 584929718 /nfs/dbraw/zinc/92/97/18/584929718.db2.gz QPRMCTHOAGBVLA-UHFFFAOYSA-N -1 3 211.286 2.126 20 10 BECDHM O=C(NCCC(F)(F)F)c1cc([O-])cs1 ZINC000743803103 585139653 /nfs/dbraw/zinc/13/96/53/585139653.db2.gz DSVLFNLEXBCPSY-UHFFFAOYSA-N -1 3 239.218 2.136 20 10 BECDHM Cc1ccc(C(=O)NCC2CC=CC2)c([O-])c1O ZINC000529709427 324382632 /nfs/dbraw/zinc/38/26/32/324382632.db2.gz GKBHJRFQLQBVIT-UHFFFAOYSA-N -1 3 247.294 2.102 20 10 BECDHM CC[C@H](NC(=O)c1ccc(C)c(O)c1[O-])C1CC1 ZINC000855859189 588851774 /nfs/dbraw/zinc/85/17/74/588851774.db2.gz YKNPSQCQWZPPJU-NSHDSACASA-N -1 3 249.310 2.325 20 10 BECDHM CN(C[C@@H]1CC1(C)C)C(=O)c1cccc(O)c1[O-] ZINC000856458373 588872627 /nfs/dbraw/zinc/87/26/27/588872627.db2.gz IWOHSKWIHSLYSA-VIFPVBQESA-N -1 3 249.310 2.216 20 10 BECDHM Cc1ccc(C(=O)N[C@@]2(C)CC2(C)C)c([O-])c1O ZINC000856134686 583115851 /nfs/dbraw/zinc/11/58/51/583115851.db2.gz DGEAJMZXXOULQO-AWEZNQCLSA-N -1 3 249.310 2.325 20 10 BECDHM Cc1nc(CN(C)Cc2ccc(C)cc2[O-])no1 ZINC000877642504 583341445 /nfs/dbraw/zinc/34/14/45/583341445.db2.gz YCARNRRFSSSXEU-UHFFFAOYSA-N -1 3 247.298 2.024 20 10 BECDHM CC1CN(Cc2cc(F)cc(F)c2[O-])C1 ZINC000894609297 583492224 /nfs/dbraw/zinc/49/22/24/583492224.db2.gz QIPKRRUIMNKIHP-UHFFFAOYSA-N -1 3 213.227 2.122 20 10 BECDHM O=C(N[C@@H]1C[C@H]2CCC[C@@H]21)c1cccc(O)c1[O-] ZINC000889603245 583529998 /nfs/dbraw/zinc/52/99/98/583529998.db2.gz MYXOBDQBKDWKGF-WCABBAIRSA-N -1 3 247.294 2.016 20 10 BECDHM [O-]c1ccc(F)cc1CN1CC[C@@H]1C(F)F ZINC000895430104 583669510 /nfs/dbraw/zinc/66/95/10/583669510.db2.gz BARAFLDSPLJVNZ-SECBINFHSA-N -1 3 231.217 2.371 20 10 BECDHM C[C@H](NCc1cn(C)cn1)c1c([O-])cccc1F ZINC000903351745 584755515 /nfs/dbraw/zinc/75/55/15/584755515.db2.gz NTPQOPWGDYNZPK-VIFPVBQESA-N -1 3 249.289 2.116 20 10 BECDHM C[C@H](NCc1cn(C)cn1)c1ccc(F)cc1[O-] ZINC000903352567 584755849 /nfs/dbraw/zinc/75/58/49/584755849.db2.gz VKEMRGOGMZWERF-VIFPVBQESA-N -1 3 249.289 2.116 20 10 BECDHM COC1CN(Cc2c([O-])ccc3ccccc32)C1 ZINC000738225300 584885449 /nfs/dbraw/zinc/88/54/49/584885449.db2.gz MHMFQIZOUVIQTA-UHFFFAOYSA-N -1 3 243.306 2.376 20 10 BECDHM O=C(NCc1cccc(O)c1)c1cc([O-])cs1 ZINC000732275350 584935384 /nfs/dbraw/zinc/93/53/84/584935384.db2.gz WOWRQNYIVBKUBS-UHFFFAOYSA-N -1 3 249.291 2.089 20 10 BECDHM CC(C)(C)CNC(=O)c1cc([O-])cs1 ZINC000732276495 584935577 /nfs/dbraw/zinc/93/55/77/584935577.db2.gz RVKLIRFVGKYHFM-UHFFFAOYSA-N -1 3 213.302 2.230 20 10 BECDHM CN(Cc1ccoc1)C(=O)c1cc([O-])cs1 ZINC000732276888 584935629 /nfs/dbraw/zinc/93/56/29/584935629.db2.gz VKHYRXXOOZQVEU-UHFFFAOYSA-N -1 3 237.280 2.319 20 10 BECDHM COCCCCCNC(=O)c1cc([O-])cs1 ZINC000732279149 584935739 /nfs/dbraw/zinc/93/57/39/584935739.db2.gz HTYWRSYUWQSLBS-UHFFFAOYSA-N -1 3 243.328 2.000 20 10 BECDHM C[C@@H]1CCC[C@H]1NC(=O)c1cc([O-])cs1 ZINC000732288197 584935837 /nfs/dbraw/zinc/93/58/37/584935837.db2.gz NTYFSOIHFUALHL-VXNVDRBHSA-N -1 3 225.313 2.372 20 10 BECDHM C[C@H]1CCC[C@H]1NC(=O)c1cc([O-])cs1 ZINC000732288196 584935937 /nfs/dbraw/zinc/93/59/37/584935937.db2.gz NTYFSOIHFUALHL-IONNQARKSA-N -1 3 225.313 2.372 20 10 BECDHM CC(C)OCCOC(=O)c1cc([O-])cs1 ZINC000732353490 584936225 /nfs/dbraw/zinc/93/62/25/584936225.db2.gz RETXXHSMVYYTGI-UHFFFAOYSA-N -1 3 230.285 2.036 20 10 BECDHM COCCCCCOC(=O)c1cc([O-])cs1 ZINC000735145279 584973905 /nfs/dbraw/zinc/97/39/05/584973905.db2.gz ZDZUHMCMSQJKOF-UHFFFAOYSA-N -1 3 244.312 2.427 20 10 BECDHM C[C@@H](NCc1cccc(F)c1[O-])c1ccn(C)n1 ZINC000839191441 585097485 /nfs/dbraw/zinc/09/74/85/585097485.db2.gz PPJOULUYKLQMIO-SECBINFHSA-N -1 3 249.289 2.116 20 10 BECDHM O=C(N[C@H]1CCCSC1)c1cc([O-])cs1 ZINC000748858590 585197214 /nfs/dbraw/zinc/19/72/14/585197214.db2.gz NTSVROHNHVHULV-ZETCQYMHSA-N -1 3 243.353 2.079 20 10 BECDHM C[C@@H]1CCN(C(=O)c2cc([O-])cs2)[C@@H]1C ZINC000752821640 585250560 /nfs/dbraw/zinc/25/05/60/585250560.db2.gz ZEWXGSYDIAHHRL-HTQZYQBOSA-N -1 3 225.313 2.324 20 10 BECDHM O=C(NC[C@H]1CCCS1)c1cc([O-])cs1 ZINC000757426707 585334970 /nfs/dbraw/zinc/33/49/70/585334970.db2.gz ZEDFNMPZNGTAJG-MRVPVSSYSA-N -1 3 243.353 2.079 20 10 BECDHM CCN(Cc1c([O-])cccc1OC)CC(F)F ZINC000757938189 585347264 /nfs/dbraw/zinc/34/72/64/585347264.db2.gz BFYGYGJQDPGIEB-UHFFFAOYSA-N -1 3 245.269 2.488 20 10 BECDHM C[C@@H](NC(=O)c1cc([O-])cs1)c1ccc[nH]1 ZINC000760956808 585402403 /nfs/dbraw/zinc/40/24/03/585402403.db2.gz DQGOWTQIVZZCFP-SSDOTTSWSA-N -1 3 236.296 2.273 20 10 BECDHM O=C(c1cc([O-])cs1)N1CC[C@@H](C2CC2)C1 ZINC000765421376 585486070 /nfs/dbraw/zinc/48/60/70/585486070.db2.gz OJJAGEIKDGULRM-SECBINFHSA-N -1 3 237.324 2.326 20 10 BECDHM COc1cccc([O-])c1CN1CCC=C(F)C1 ZINC000770667608 585579327 /nfs/dbraw/zinc/57/93/27/585579327.db2.gz QSGHQGATVZRTIV-UHFFFAOYSA-N -1 3 237.274 2.460 20 10 BECDHM COc1cccc([O-])c1CN1CCC(F)(F)C1 ZINC000776695876 585703180 /nfs/dbraw/zinc/70/31/80/585703180.db2.gz XACVKJBQFNTDRT-UHFFFAOYSA-N -1 3 243.253 2.242 20 10 BECDHM O=C(OC[C@@H]1CCCCO1)c1cc([O-])cs1 ZINC000778118934 585725868 /nfs/dbraw/zinc/72/58/68/585725868.db2.gz RUPLZXRMBQZJGB-VIFPVBQESA-N -1 3 242.296 2.180 20 10 BECDHM C[C@@H]1CCN(C(=O)c2cc([O-])cs2)C[C@H]1F ZINC000778518361 585736534 /nfs/dbraw/zinc/73/65/34/585736534.db2.gz QOONGHLDCBCGJL-VXNVDRBHSA-N -1 3 243.303 2.274 20 10 BECDHM Cc1ccc(C(=O)NC[C@@H]2CC2(C)C)c([O-])c1O ZINC000780941578 585786915 /nfs/dbraw/zinc/78/69/15/585786915.db2.gz XURGMBTWZORSIQ-VIFPVBQESA-N -1 3 249.310 2.182 20 10 BECDHM Cc1ccc(C(=O)NC(C)(C)C2CC2)c([O-])c1O ZINC000780953418 585787310 /nfs/dbraw/zinc/78/73/10/585787310.db2.gz IBXURLCZILDKFZ-UHFFFAOYSA-N -1 3 249.310 2.325 20 10 BECDHM COCC[C@@H](C)OC(=O)c1cc([O-])cs1 ZINC000783608785 585838296 /nfs/dbraw/zinc/83/82/96/585838296.db2.gz RSGJGCWXAGVQAB-SSDOTTSWSA-N -1 3 230.285 2.036 20 10 BECDHM C[C@@H]1C[C@@H](O)CN1Cc1cc(Cl)ccc1[O-] ZINC000788268504 585919982 /nfs/dbraw/zinc/91/99/82/585919982.db2.gz DVSFCMQEYSFKQB-LDYMZIIASA-N -1 3 241.718 2.001 20 10 BECDHM C[C@@H]1CC[C@H](COC(=O)c2cc([O-])cs2)O1 ZINC000789049108 585934062 /nfs/dbraw/zinc/93/40/62/585934062.db2.gz LFANTTBOYYTJTJ-VXNVDRBHSA-N -1 3 242.296 2.178 20 10 BECDHM CCC1(C)CN(C(=O)c2cc([O-])cs2)C1 ZINC000812692971 586582715 /nfs/dbraw/zinc/58/27/15/586582715.db2.gz IKFUYIGUHOFKEM-UHFFFAOYSA-N -1 3 225.313 2.326 20 10 BECDHM CO[C@H](COC(=O)c1cc([O-])cs1)C1CC1 ZINC000820362846 587045018 /nfs/dbraw/zinc/04/50/18/587045018.db2.gz ILCPKRVPCYHIIS-SECBINFHSA-N -1 3 242.296 2.036 20 10 BECDHM O=C(NC1(C2CC2)CC1)c1cc([O-])cs1 ZINC000830180276 587540314 /nfs/dbraw/zinc/54/03/14/587540314.db2.gz NXMMJVIPVXSLNV-UHFFFAOYSA-N -1 3 223.297 2.126 20 10 BECDHM CC[C@H](NC(=O)c1cc([O-])cs1)C(F)F ZINC000833204788 587702551 /nfs/dbraw/zinc/70/25/51/587702551.db2.gz UPIOCSURRZVJMD-LURJTMIESA-N -1 3 235.255 2.227 20 10 BECDHM CCN(CCO)Cc1c([O-])cc(C)cc1Cl ZINC000840907295 587928810 /nfs/dbraw/zinc/92/88/10/587928810.db2.gz CAVOZDZZGSGMFA-UHFFFAOYSA-N -1 3 243.734 2.168 20 10 BECDHM C[C@@H]1SCC[C@@H]1NC(=O)c1cc([O-])cs1 ZINC000844154348 588170869 /nfs/dbraw/zinc/17/08/69/588170869.db2.gz ZGQCKUGIYHFXKB-XPUUQOCRSA-N -1 3 243.353 2.078 20 10 BECDHM Cc1cccc(C[N@@H+]2[C@H](C)CC[C@@H]2C(=O)[O-])c1[O-] ZINC000844935601 588219461 /nfs/dbraw/zinc/21/94/61/588219461.db2.gz QOLCSGOOLLGGQZ-ZYHUDNBSSA-N -1 3 249.310 2.138 20 10 BECDHM Cc1cccc(C[N@H+]2[C@H](C)CC[C@@H]2C(=O)[O-])c1[O-] ZINC000844935601 588219462 /nfs/dbraw/zinc/21/94/62/588219462.db2.gz QOLCSGOOLLGGQZ-ZYHUDNBSSA-N -1 3 249.310 2.138 20 10 BECDHM O=C(c1cc([O-])cs1)N1CCCC(F)(F)C1 ZINC000846659912 588281454 /nfs/dbraw/zinc/28/14/54/588281454.db2.gz RESSGBHDRJYHLI-UHFFFAOYSA-N -1 3 247.266 2.325 20 10 BECDHM [O-]c1ccc(F)cc1CN1CC2(CC2(F)F)C1 ZINC000848921660 588421153 /nfs/dbraw/zinc/42/11/53/588421153.db2.gz FGXBZHNZKKMKPI-UHFFFAOYSA-N -1 3 243.228 2.372 20 10 BECDHM CC(C)C(=O)NCc1ccc2cccnc2c1[O-] ZINC000862028944 589190498 /nfs/dbraw/zinc/19/04/98/589190498.db2.gz PVVIUJUDUAWHMR-UHFFFAOYSA-N -1 3 244.294 2.213 20 10 BECDHM Cc1ccc(C(=O)N[C@H]2CC23CCC3)c([O-])c1O ZINC000874786083 590135819 /nfs/dbraw/zinc/13/58/19/590135819.db2.gz XINAXVUEZFUPFB-JTQLQIEISA-N -1 3 247.294 2.079 20 10 BECDHM Cc1cccc([O-])c1CN(C)Cc1cnccn1 ZINC000876644457 590225660 /nfs/dbraw/zinc/22/56/60/590225660.db2.gz XOUJTNZAVGGEHT-UHFFFAOYSA-N -1 3 243.310 2.123 20 10 BECDHM Cc1ccc(CNCc2nccs2)c([O-])c1 ZINC000876954571 590260854 /nfs/dbraw/zinc/26/08/54/590260854.db2.gz LWEFASPSACZOLT-UHFFFAOYSA-N -1 3 234.324 2.447 20 10 BECDHM CC(C)CCN(C)C(=O)c1cccc(O)c1[O-] ZINC000126284765 590269205 /nfs/dbraw/zinc/26/92/05/590269205.db2.gz ILVXULQXDWKROE-UHFFFAOYSA-N -1 3 237.299 2.216 20 10 BECDHM CC1(C)CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000126393359 590297854 /nfs/dbraw/zinc/29/78/54/590297854.db2.gz FKBNESXFCAUXDO-UHFFFAOYSA-N -1 3 249.310 2.360 20 10 BECDHM O=C(NCCC1CCC1)c1cccc(O)c1[O-] ZINC000126547425 590336096 /nfs/dbraw/zinc/33/60/96/590336096.db2.gz MVWSOPFZGIHTPG-UHFFFAOYSA-N -1 3 235.283 2.018 20 10 BECDHM Cc1cccc([O-])c1CN1CC(OC(F)F)C1 ZINC000877581598 590366164 /nfs/dbraw/zinc/36/61/64/590366164.db2.gz KJQQVEYHTWXSGR-UHFFFAOYSA-N -1 3 243.253 2.124 20 10 BECDHM Cc1nocc1CN1Cc2cccc([O-])c2C1 ZINC000877702900 590396216 /nfs/dbraw/zinc/39/62/16/590396216.db2.gz JIORKONSISWTKW-UHFFFAOYSA-N -1 3 230.267 2.204 20 10 BECDHM Cc1cnc(CN2Cc3cccc([O-])c3C2)o1 ZINC000877702616 590396515 /nfs/dbraw/zinc/39/65/15/590396515.db2.gz DXSBJDGRZWFBMU-UHFFFAOYSA-N -1 3 230.267 2.204 20 10 BECDHM C[C@@H](NCc1cnsn1)c1ccccc1[O-] ZINC000879649435 590842135 /nfs/dbraw/zinc/84/21/35/590842135.db2.gz SXGPMUYKQIQCON-MRVPVSSYSA-N -1 3 235.312 2.095 20 10 BECDHM COc1cc(CN[C@@H](C)c2ccccc2[O-])on1 ZINC000879649636 590842473 /nfs/dbraw/zinc/84/24/73/590842473.db2.gz ACUYNDSJCHXIDM-VIFPVBQESA-N -1 3 248.282 2.240 20 10 BECDHM Cc1ccc([C@@H](C)NCc2ccn(C)n2)c([O-])c1 ZINC000213127682 591449121 /nfs/dbraw/zinc/44/91/21/591449121.db2.gz XRMHQHZJPQDBKR-LLVKDONJSA-N -1 3 245.326 2.285 20 10 BECDHM C[C@@H](NCc1cnn(C)c1)c1c([O-])cccc1F ZINC000886510024 592240453 /nfs/dbraw/zinc/24/04/53/592240453.db2.gz PTFIZHKWEPJREP-SECBINFHSA-N -1 3 249.289 2.116 20 10 BECDHM CC(C)(CNC(=O)c1cccc(O)c1[O-])C1CC1 ZINC000887375509 592497097 /nfs/dbraw/zinc/49/70/97/592497097.db2.gz VAVOUMWJWJJQKK-UHFFFAOYSA-N -1 3 249.310 2.264 20 10 BECDHM CO[C@@H]1CCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000300045221 592501615 /nfs/dbraw/zinc/50/16/15/592501615.db2.gz ICYNKNKZVVSSAX-LLVKDONJSA-N -1 3 241.718 2.266 20 10 BECDHM C[N@H+](CC(=O)[O-])Cc1c([O-])ccc2ccccc21 ZINC000039193036 597054373 /nfs/dbraw/zinc/05/43/73/597054373.db2.gz HVHYYDPPHMWXMR-UHFFFAOYSA-N -1 3 245.278 2.062 20 10 BECDHM C[N@@H+](CC(=O)[O-])Cc1c([O-])ccc2ccccc21 ZINC000039193036 597054377 /nfs/dbraw/zinc/05/43/77/597054377.db2.gz HVHYYDPPHMWXMR-UHFFFAOYSA-N -1 3 245.278 2.062 20 10 BECDHM Cc1cc(CNCc2c([O-])cccc2F)on1 ZINC000896644933 636210030 /nfs/dbraw/zinc/21/00/30/636210030.db2.gz ZRIDUQIZXWHPJR-UHFFFAOYSA-N -1 3 236.246 2.118 20 10 BECDHM C[C@H]1CC[C@H](CNC(=O)c2cccc(O)c2[O-])C1 ZINC000230429011 641055004 /nfs/dbraw/zinc/05/50/04/641055004.db2.gz VSXCFNUIDDFZIS-UWVGGRQHSA-N -1 3 249.310 2.264 20 10 BECDHM CC(C)(NC(=O)c1cccc(O)c1[O-])C1CC1 ZINC000232533583 641296417 /nfs/dbraw/zinc/29/64/17/641296417.db2.gz FGBLJTVSUDAOQA-UHFFFAOYSA-N -1 3 235.283 2.016 20 10 BECDHM [O-]c1cccc(Cl)c1CNCc1cc[nH]n1 ZINC000083599838 643593822 /nfs/dbraw/zinc/59/38/22/643593822.db2.gz WJWHJYPZRIOBIQ-UHFFFAOYSA-N -1 3 237.690 2.059 20 10 BECDHM COCCN(C)Cc1c([O-])ccc(Cl)c1F ZINC000792162862 644791370 /nfs/dbraw/zinc/79/13/70/644791370.db2.gz QOVONTDJGKTMHK-UHFFFAOYSA-N -1 3 247.697 2.263 20 10 BECDHM CCS(=O)(CC)=NC(=O)c1cc([O-])cs1 ZINC000925876435 646527301 /nfs/dbraw/zinc/52/73/01/646527301.db2.gz XVMLTFLXOZTANQ-UHFFFAOYSA-N -1 3 247.341 2.102 20 10 BECDHM [O-]c1c(F)cccc1CN1CC[C@H](F)C1 ZINC000701672545 712026828 /nfs/dbraw/zinc/02/68/28/712026828.db2.gz FBBKLQJCJCKQLH-VIFPVBQESA-N -1 3 213.227 2.075 20 10 BECDHM O=C(c1cccc(O)c1[O-])N1CC[C@@H]2CCC[C@@H]21 ZINC000386047333 711022402 /nfs/dbraw/zinc/02/24/02/711022402.db2.gz GEKKSDKAQQXIQG-ONGXEEELSA-N -1 3 247.294 2.112 20 10 BECDHM C[C@H](CCC1CC1)NC(=O)c1cccc(O)c1[O-] ZINC000398144009 711403231 /nfs/dbraw/zinc/40/32/31/711403231.db2.gz BAUUROQVSGNZGH-SECBINFHSA-N -1 3 249.310 2.406 20 10 BECDHM CC1(C2(NC(=O)c3cccc(O)c3[O-])CC2)CC1 ZINC000398280708 711407135 /nfs/dbraw/zinc/40/71/35/711407135.db2.gz OSYCGJOQNQHMTN-UHFFFAOYSA-N -1 3 247.294 2.160 20 10 BECDHM CC(C)[C@]1(C)C[C@@H]1NC(=O)c1cccc(O)c1[O-] ZINC000397229615 711379904 /nfs/dbraw/zinc/37/99/04/711379904.db2.gz LKQDDTLAJPTPAG-FZMZJTMJSA-N -1 3 249.310 2.262 20 10 BECDHM O=C(N[C@H]1CCCC12CC2)c1cccc(O)c1[O-] ZINC000706242350 712142143 /nfs/dbraw/zinc/14/21/43/712142143.db2.gz IRSQUPOOHJGAOV-NSHDSACASA-N -1 3 247.294 2.160 20 10 BECDHM O=C(NC1CCC=CCC1)c1cccc(O)c1[O-] ZINC000718075981 712741265 /nfs/dbraw/zinc/74/12/65/712741265.db2.gz CZNGTXAQSNRSBJ-UHFFFAOYSA-N -1 3 247.294 2.326 20 10 BECDHM COc1cc([O-])c(CN(C)CCF)cc1Cl ZINC001232270557 977971008 /nfs/dbraw/zinc/97/10/08/977971008.db2.gz FGTARFTUHQKCGF-UHFFFAOYSA-N -1 3 247.697 2.456 20 10 BECDHM C[C@@H]1C[C@H]1c1nnc(-c2cccc(O)c2[O-])o1 ZINC001256616765 970881460 /nfs/dbraw/zinc/88/14/60/970881460.db2.gz IXPTVDSSMBMEHN-HTRCEHHLSA-N -1 3 232.239 2.271 20 10 BECDHM C[C@@H](NCc1cocn1)c1ccc(F)cc1[O-] ZINC000397866040 960531973 /nfs/dbraw/zinc/53/19/73/960531973.db2.gz ABQXTPRDWDSKAH-MRVPVSSYSA-N -1 3 236.246 2.370 20 10 BECDHM CC(=O)CN(C)Cc1cc(Cl)ccc1[O-] ZINC001203652033 966718401 /nfs/dbraw/zinc/71/84/01/966718401.db2.gz ZMVXPEJBGUGXKX-UHFFFAOYSA-N -1 3 227.691 2.066 20 10 BECDHM C[C@H]1CCC[N@@H+]1Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231447049 977591536 /nfs/dbraw/zinc/59/15/36/977591536.db2.gz NTQYPEOLSOMHJS-VIFPVBQESA-N -1 3 235.283 2.075 20 10 BECDHM C[C@H]1CCC[N@H+]1Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231447049 977591544 /nfs/dbraw/zinc/59/15/44/977591544.db2.gz NTQYPEOLSOMHJS-VIFPVBQESA-N -1 3 235.283 2.075 20 10 BECDHM CC[C@H]1CCC[N@@H+]1Cc1cc(C(=O)[O-])ccc1[O-] ZINC001231564926 977638270 /nfs/dbraw/zinc/63/82/70/977638270.db2.gz KIPNRDDXJRIAQA-LBPRGKRZSA-N -1 3 249.310 2.465 20 10 BECDHM CC[C@H]1CCC[N@H+]1Cc1cc(C(=O)[O-])ccc1[O-] ZINC001231564926 977638271 /nfs/dbraw/zinc/63/82/71/977638271.db2.gz KIPNRDDXJRIAQA-LBPRGKRZSA-N -1 3 249.310 2.465 20 10 BECDHM CC(=O)CN(C)Cc1cc(Cl)c(C)cc1[O-] ZINC001231867994 977773239 /nfs/dbraw/zinc/77/32/39/977773239.db2.gz PGETZXPUWYEPPK-UHFFFAOYSA-N -1 3 241.718 2.375 20 10 BECDHM CC(C)C[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001603821830 979527297 /nfs/dbraw/zinc/52/72/97/979527297.db2.gz YTUXAQNDVWFTNR-SECBINFHSA-N -1 3 237.299 2.397 20 10 BECDHM [O-]c1c(O)cccc1-c1nnc(C2CC2)o1 ZINC001254048207 986466482 /nfs/dbraw/zinc/46/64/82/986466482.db2.gz ICDUJBSEBNJUNW-UHFFFAOYSA-N -1 3 218.212 2.025 20 10 BECDHM CC1(CC(=O)NCc2c([O-])cccc2F)CC1 ZINC001119715458 989361766 /nfs/dbraw/zinc/36/17/66/989361766.db2.gz VPISZUMXPHOVKU-UHFFFAOYSA-N -1 3 237.274 2.338 20 10 BECDHM C[C@@H]1CN(Cc2c([O-])cccc2F)C[C@@H](C)O1 ZINC001137831537 990853643 /nfs/dbraw/zinc/85/36/43/990853643.db2.gz DEYAYHCAHLBIHA-NXEZZACHSA-N -1 3 239.290 2.141 20 10 BECDHM CC1(C)CN(Cc2c([O-])cccc2F)C1 ZINC001137832049 990856001 /nfs/dbraw/zinc/85/60/01/990856001.db2.gz YNOPBAOICRSOAB-UHFFFAOYSA-N -1 3 209.264 2.373 20 10 BECDHM C[C@@H]1CN(Cc2cccc(F)c2[O-])C[C@@H]1F ZINC001138122387 990884935 /nfs/dbraw/zinc/88/49/35/990884935.db2.gz ATZAAWTURSUBJP-KCJUWKMLSA-N -1 3 227.254 2.321 20 10 BECDHM CN(Cc1c([O-])cccc1Cl)C1(C)COC1 ZINC001140341367 991611799 /nfs/dbraw/zinc/61/17/99/991611799.db2.gz KEDICZZDZSWXRQ-UHFFFAOYSA-N -1 3 241.718 2.266 20 10 BECDHM CC[C@@H](C)S(=O)(=O)Nc1ccc([O-])c(F)c1 ZINC001260738560 992153937 /nfs/dbraw/zinc/15/39/37/992153937.db2.gz OEVQOIYWUSEPQB-SSDOTTSWSA-N -1 3 247.291 2.072 20 10 BECDHM CC[C@H](C)S(=O)(=O)Nc1ccc([O-])c(F)c1 ZINC001260738562 992154183 /nfs/dbraw/zinc/15/41/83/992154183.db2.gz OEVQOIYWUSEPQB-ZETCQYMHSA-N -1 3 247.291 2.072 20 10 BECDHM C/C(Cl)=C\C(=O)NCc1c([O-])cccc1F ZINC001303876054 995177278 /nfs/dbraw/zinc/17/72/78/995177278.db2.gz TVRIEPDMDYWACU-FNORWQNLSA-N -1 3 243.665 2.290 20 10 BECDHM CC[C@@H]1CCN(C(=O)c2cccc(O)c2[O-])[C@H]1C ZINC001625627127 1171108791 /nfs/dbraw/zinc/10/87/91/1171108791.db2.gz PVHURIHWVFRZOZ-VHSXEESVSA-N -1 3 249.310 2.358 20 10 BECDHM C[C@H](NCc1ccnn1C)c1ccc(F)cc1[O-] ZINC000071333652 398146922 /nfs/dbraw/zinc/14/69/22/398146922.db2.gz JWNZXKUHKNLSKY-VIFPVBQESA-N -1 3 249.289 2.116 20 10 BECDHM Cc1ccc(C(=O)N2CCCC2(C)C)c([O-])c1O ZINC000182327021 178385209 /nfs/dbraw/zinc/38/52/09/178385209.db2.gz XSEIIDPEWUAWCI-UHFFFAOYSA-N -1 3 249.310 2.421 20 10 BECDHM Cc1ccc(C(=O)N2CC[C@@H](C)[C@@H]2C)c([O-])c1O ZINC000182557992 178395836 /nfs/dbraw/zinc/39/58/36/178395836.db2.gz WWCMDGXTTJKNJP-SCZZXKLOSA-N -1 3 249.310 2.277 20 10 BECDHM CC1(C)CC[C@H]1NC(=O)c1cccc(O)c1[O-] ZINC000286619184 359370876 /nfs/dbraw/zinc/37/08/76/359370876.db2.gz AGUXZSGXJQASNB-SNVBAGLBSA-N -1 3 235.283 2.016 20 10 BECDHM [O-]c1ccc(F)cc1CNCc1ccco1 ZINC000083351051 183274592 /nfs/dbraw/zinc/27/45/92/183274592.db2.gz BQGSNOGAJPYDDQ-UHFFFAOYSA-N -1 3 221.231 2.414 20 10 BECDHM [O-]c1ccc(F)cc1CN1CCCc2n[nH]cc21 ZINC000291697464 183275252 /nfs/dbraw/zinc/27/52/52/183275252.db2.gz YSCZHWYKTFDBNZ-UHFFFAOYSA-N -1 3 247.273 2.207 20 10 BECDHM C[C@H](NCc1nccn1C)c1ccc(F)cc1[O-] ZINC000071273442 384158295 /nfs/dbraw/zinc/15/82/95/384158295.db2.gz MNEXBCCMVIVKIR-VIFPVBQESA-N -1 3 249.289 2.116 20 10 BECDHM CCCCN(CC)C(=O)c1cccc(O)c1[O-] ZINC000126213929 384781508 /nfs/dbraw/zinc/78/15/08/384781508.db2.gz PIWYTZSWRRRBGJ-UHFFFAOYSA-N -1 3 237.299 2.360 20 10 BECDHM COC[C@@H](NCc1ccccc1[O-])c1ccco1 ZINC000177572051 385263521 /nfs/dbraw/zinc/26/35/21/385263521.db2.gz OFNANHVLCFJEJL-GFCCVEGCSA-N -1 3 247.294 2.463 20 10 BECDHM CN(Cc1cocn1)Cc1ccccc1[O-] ZINC000191933941 385334549 /nfs/dbraw/zinc/33/45/49/385334549.db2.gz GYGOBIDZFBLGAT-UHFFFAOYSA-N -1 3 218.256 2.012 20 10 BECDHM C[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(O)c1[O-] ZINC000126223815 176079663 /nfs/dbraw/zinc/07/96/63/176079663.db2.gz DFOOMUPIFJVAQV-KOLCDFICSA-N -1 3 249.310 2.406 20 10 BECDHM C[C@H]1CCC[C@H]1NC(=O)c1cccc(O)c1[O-] ZINC000126408030 177141881 /nfs/dbraw/zinc/14/18/81/177141881.db2.gz HLZMZSHJOVYCDE-WCBMZHEXSA-N -1 3 235.283 2.016 20 10 BECDHM CC(C)C1(NC(=O)c2cc([O-])cs2)CC1 ZINC000854662120 588800156 /nfs/dbraw/zinc/80/01/56/588800156.db2.gz QGXJMULOSUNCMR-UHFFFAOYSA-N -1 3 225.313 2.372 20 10 BECDHM CN(C(=O)c1cc([O-])cs1)C(C)(C)C ZINC000855010568 588820482 /nfs/dbraw/zinc/82/04/82/588820482.db2.gz WKVZVWBFRSBNCT-UHFFFAOYSA-N -1 3 213.302 2.324 20 10 BECDHM CN(Cc1ccccc1[O-])CC(F)F ZINC000112981664 588822091 /nfs/dbraw/zinc/82/20/91/588822091.db2.gz VWQLABLQJZYRKK-UHFFFAOYSA-N -1 3 201.216 2.089 20 10 BECDHM CC12CC(C1)CN2C(=O)c1cc([O-])cs1 ZINC000856511873 588874324 /nfs/dbraw/zinc/87/43/24/588874324.db2.gz AATNQDJKIGRECS-UHFFFAOYSA-N -1 3 223.297 2.078 20 10 BECDHM [O-]c1cccc(F)c1CNc1nnc(C2CC2)o1 ZINC000895832634 583735219 /nfs/dbraw/zinc/73/52/19/583735219.db2.gz JNYUWHQLZLOWMM-UHFFFAOYSA-N -1 3 249.245 2.404 20 10 BECDHM Cc1ncc(CNCc2c([O-])cccc2F)o1 ZINC000896637984 583819926 /nfs/dbraw/zinc/81/99/26/583819926.db2.gz MNLSJEYIKGWOBQ-UHFFFAOYSA-N -1 3 236.246 2.118 20 10 BECDHM CCn1nccc1CNCc1c([O-])cccc1F ZINC000896640943 583820214 /nfs/dbraw/zinc/82/02/14/583820214.db2.gz NCHHDXIWFFVHAK-UHFFFAOYSA-N -1 3 249.289 2.038 20 10 BECDHM C[C@H](NCc1csc(N)n1)c1ccccc1[O-] ZINC000902492330 584618626 /nfs/dbraw/zinc/61/86/26/584618626.db2.gz XVGUSNAVCXVBQO-QMMMGPOBSA-N -1 3 249.339 2.282 20 10 BECDHM Cc1noc([C@H](C)N(C)Cc2ccccc2[O-])n1 ZINC000731843086 584929614 /nfs/dbraw/zinc/92/96/14/584929614.db2.gz UETCKLHMPVNVFA-VIFPVBQESA-N -1 3 247.298 2.277 20 10 BECDHM O=C(Nc1ccccn1)c1cc([O-])cs1 ZINC000731864312 584929687 /nfs/dbraw/zinc/92/96/87/584929687.db2.gz QTXXFOTUPDPJLA-UHFFFAOYSA-N -1 3 220.253 2.101 20 10 BECDHM O=C(NCCc1ccccc1)c1cc([O-])cs1 ZINC000731863665 584929729 /nfs/dbraw/zinc/92/97/29/584929729.db2.gz BASXTOBZQPFPLY-UHFFFAOYSA-N -1 3 247.319 2.426 20 10 BECDHM Cc1ccnc(NC(=O)c2cc([O-])cs2)c1 ZINC000731863704 584929757 /nfs/dbraw/zinc/92/97/57/584929757.db2.gz AZHOXVDUGITJAU-UHFFFAOYSA-N -1 3 234.280 2.409 20 10 BECDHM O=C(NCCc1ccco1)c1cc([O-])cs1 ZINC000731861466 584929812 /nfs/dbraw/zinc/92/98/12/584929812.db2.gz CBLDCKBTRWBLRP-UHFFFAOYSA-N -1 3 237.280 2.019 20 10 BECDHM O=C(NCC1CCCC1)c1cc([O-])cs1 ZINC000731869130 584930746 /nfs/dbraw/zinc/93/07/46/584930746.db2.gz MGSBTHDARBIBCE-UHFFFAOYSA-N -1 3 225.313 2.374 20 10 BECDHM CCC[C@@H](C)NC(=O)c1cc([O-])cs1 ZINC000732265208 584935000 /nfs/dbraw/zinc/93/50/00/584935000.db2.gz OVYXQCFKGXYWEV-SSDOTTSWSA-N -1 3 213.302 2.372 20 10 BECDHM O=C(c1cc([O-])cs1)N1CCC[C@H]1C1CC1 ZINC000732286309 584935759 /nfs/dbraw/zinc/93/57/59/584935759.db2.gz QJOQBIVRRYCEFR-JTQLQIEISA-N -1 3 237.324 2.468 20 10 BECDHM CC1(C)CCCN1C(=O)c1cc([O-])cs1 ZINC000732286829 584935983 /nfs/dbraw/zinc/93/59/83/584935983.db2.gz YPMMEQIZKZTFGF-UHFFFAOYSA-N -1 3 225.313 2.468 20 10 BECDHM O=C1C[C@H]2CC[C@@H](C1)N2Cc1cccc(F)c1[O-] ZINC000839131268 585093659 /nfs/dbraw/zinc/09/36/59/585093659.db2.gz HZOMHEOJEGODAW-PHIMTYICSA-N -1 3 249.285 2.227 20 10 BECDHM C[C@@H]1C[C@@H](C)N(C(=O)c2cc([O-])cs2)C1 ZINC000740928975 585108256 /nfs/dbraw/zinc/10/82/56/585108256.db2.gz VXGIOOOZHWFYTR-HTQZYQBOSA-N -1 3 225.313 2.324 20 10 BECDHM CC[C@H](C)N(C)C(=O)c1cc([O-])cs1 ZINC000751396331 585229432 /nfs/dbraw/zinc/22/94/32/585229432.db2.gz SLEZAFVVMWKANL-ZETCQYMHSA-N -1 3 213.302 2.324 20 10 BECDHM CCN(CC(F)F)C(=O)c1cc([O-])cs1 ZINC000758695075 585358680 /nfs/dbraw/zinc/35/86/80/585358680.db2.gz VPSFDDYDBCTPRN-UHFFFAOYSA-N -1 3 235.255 2.181 20 10 BECDHM CCOc1ccc(CN(C)CC(F)F)c([O-])c1 ZINC000769121086 585549489 /nfs/dbraw/zinc/54/94/89/585549489.db2.gz PVDPORNPRCDLIO-UHFFFAOYSA-N -1 3 245.269 2.488 20 10 BECDHM C[C@H]1CCN(C(=O)c2cc([O-])cs2)C[C@@H]1F ZINC000778518357 585736596 /nfs/dbraw/zinc/73/65/96/585736596.db2.gz QOONGHLDCBCGJL-CBAPKCEASA-N -1 3 243.303 2.274 20 10 BECDHM C[C@@H]1CC[C@@H](NC(=O)c2cc([O-])cs2)C1 ZINC000782048012 585807554 /nfs/dbraw/zinc/80/75/54/585807554.db2.gz GGZNUPBSVNUCOE-HTQZYQBOSA-N -1 3 225.313 2.372 20 10 BECDHM C[C@@H]1C[C@H](O)CN1Cc1cccc(Cl)c1[O-] ZINC000788269060 585919944 /nfs/dbraw/zinc/91/99/44/585919944.db2.gz LBZLIBOVSRGFRV-SCZZXKLOSA-N -1 3 241.718 2.001 20 10 BECDHM C[C@H]1CC[C@@H](COC(=O)c2cc([O-])cs2)O1 ZINC000789049106 585934167 /nfs/dbraw/zinc/93/41/67/585934167.db2.gz LFANTTBOYYTJTJ-CBAPKCEASA-N -1 3 242.296 2.178 20 10 BECDHM C[C@@H]1C[C@@H](C)N1C(=O)c1cc([O-])cs1 ZINC000792672024 586003863 /nfs/dbraw/zinc/00/38/63/586003863.db2.gz CAXYFNZHDZAWNZ-RNFRBKRXSA-N -1 3 211.286 2.077 20 10 BECDHM C[C@H]1C[C@H]1COC(=O)c1cc([O-])cs1 ZINC000859552664 589044300 /nfs/dbraw/zinc/04/43/00/589044300.db2.gz IFWJNGNHSRZMAK-BQBZGAKWSA-N -1 3 212.270 2.267 20 10 BECDHM O=C(Nc1cccc(O)c1)c1cc([O-])cs1 ZINC000806333017 586409557 /nfs/dbraw/zinc/40/95/57/586409557.db2.gz CWLBABSRSWUNLV-UHFFFAOYSA-N -1 3 235.264 2.412 20 10 BECDHM CCOc1ccc(CN(C)CCF)c([O-])c1 ZINC000816640068 586747376 /nfs/dbraw/zinc/74/73/76/586747376.db2.gz RUBSGFQHURXQBM-UHFFFAOYSA-N -1 3 227.279 2.192 20 10 BECDHM Cc1cc([O-])c(C[N@@H+]2CCC[C@H]2C(=O)[O-])cc1C ZINC000821046098 587090973 /nfs/dbraw/zinc/09/09/73/587090973.db2.gz QNNFUSHGDVHTFJ-LBPRGKRZSA-N -1 3 249.310 2.058 20 10 BECDHM Cc1cc([O-])c(C[N@H+]2CCC[C@H]2C(=O)[O-])cc1C ZINC000821046098 587090975 /nfs/dbraw/zinc/09/09/75/587090975.db2.gz QNNFUSHGDVHTFJ-LBPRGKRZSA-N -1 3 249.310 2.058 20 10 BECDHM O=C(c1cc([O-])cs1)N1CC(CC(F)F)C1 ZINC000822438900 587168295 /nfs/dbraw/zinc/16/82/95/587168295.db2.gz YOWRSHRGZSBUBI-UHFFFAOYSA-N -1 3 247.266 2.181 20 10 BECDHM Cc1cc([O-])c(CN(C)C[C@@H](C)O)c(Cl)c1 ZINC000840939542 587930789 /nfs/dbraw/zinc/93/07/89/587930789.db2.gz NMXHHRIJMSTPGR-SECBINFHSA-N -1 3 243.734 2.167 20 10 BECDHM Cc1cc(CN(C)Cc2ccccc2[O-])n(C)n1 ZINC000841834323 587976664 /nfs/dbraw/zinc/97/66/64/587976664.db2.gz NIPLPBBJWYQSJK-UHFFFAOYSA-N -1 3 245.326 2.066 20 10 BECDHM Cc1ccc(C(=O)NC2(C)CC=CC2)c([O-])c1O ZINC000848268952 588368919 /nfs/dbraw/zinc/36/89/19/588368919.db2.gz MHICXQQJRSLEIX-UHFFFAOYSA-N -1 3 247.294 2.245 20 10 BECDHM CC1(C)C[C@@H](OC(=O)c2cc([O-])cs2)CO1 ZINC000849728674 588490836 /nfs/dbraw/zinc/49/08/36/588490836.db2.gz WROQMXWFOYJORF-MRVPVSSYSA-N -1 3 242.296 2.178 20 10 BECDHM O=C(c1cc([O-])cs1)N(C1CC1)C1CC1 ZINC000862852776 589243650 /nfs/dbraw/zinc/24/36/50/589243650.db2.gz WDUQTSPWPVQENY-UHFFFAOYSA-N -1 3 223.297 2.221 20 10 BECDHM O=C1[N-]C(=O)C(=Cc2cc(F)cc(F)c2)S1 ZINC000874928066 590156091 /nfs/dbraw/zinc/15/60/91/590156091.db2.gz JSNSJKHXOJXPII-BAQGIRSFSA-N -1 3 241.218 2.289 20 10 BECDHM CC[C@@H]1CCCN1C(=O)c1cccc(O)c1[O-] ZINC000126275368 590263107 /nfs/dbraw/zinc/26/31/07/590263107.db2.gz ZBIRXUKXVZDNDA-SECBINFHSA-N -1 3 235.283 2.112 20 10 BECDHM CC1(NCc2cc(Cl)cc(F)c2[O-])COC1 ZINC000877691353 590393328 /nfs/dbraw/zinc/39/33/28/590393328.db2.gz NKRCEXBRXCYMRE-UHFFFAOYSA-N -1 3 245.681 2.063 20 10 BECDHM Cc1nc(CN2Cc3cccc([O-])c3C2)[nH]c1C ZINC000877702892 590396162 /nfs/dbraw/zinc/39/61/62/590396162.db2.gz JBMSPWPXSLYPKF-UHFFFAOYSA-N -1 3 243.310 2.248 20 10 BECDHM Cc1conc1CN(C)Cc1ccccc1[O-] ZINC000878241988 590528202 /nfs/dbraw/zinc/52/82/02/590528202.db2.gz MACLRMWMSNOWEH-UHFFFAOYSA-N -1 3 232.283 2.321 20 10 BECDHM Cc1ccc([C@H](C)NCc2ccn(C)n2)c([O-])c1 ZINC000213127742 591448553 /nfs/dbraw/zinc/44/85/53/591448553.db2.gz XRMHQHZJPQDBKR-NSHDSACASA-N -1 3 245.326 2.285 20 10 BECDHM CC[C@H](NCc1ccn(C)n1)c1ccccc1[O-] ZINC000213106822 591449303 /nfs/dbraw/zinc/44/93/03/591449303.db2.gz XXIKKDRYQRSDHO-ZDUSSCGKSA-N -1 3 245.326 2.367 20 10 BECDHM O=C(NCc1ccccc1O)c1ccccc1[O-] ZINC000133789765 591856841 /nfs/dbraw/zinc/85/68/41/591856841.db2.gz XQVUBJROCNXHGT-UHFFFAOYSA-N -1 3 243.262 2.028 20 10 BECDHM Cc1cc(CN[C@H](C)c2c([O-])cccc2F)[nH]n1 ZINC000886530398 592247421 /nfs/dbraw/zinc/24/74/21/592247421.db2.gz JETAHTSWRNCISS-SECBINFHSA-N -1 3 249.289 2.414 20 10 BECDHM Cc1cc(CN[C@H](C)c2c([O-])cccc2F)n[nH]1 ZINC000886530398 592247423 /nfs/dbraw/zinc/24/74/23/592247423.db2.gz JETAHTSWRNCISS-SECBINFHSA-N -1 3 249.289 2.414 20 10 BECDHM Cc1n[nH]cc1CN[C@@H](C)c1c([O-])cccc1F ZINC000886550375 592259443 /nfs/dbraw/zinc/25/94/43/592259443.db2.gz YOBLTPMEGHCRQC-VIFPVBQESA-N -1 3 249.289 2.414 20 10 BECDHM C[C@H](NCc1cncn1C)c1c([O-])cccc1F ZINC000886610426 592274643 /nfs/dbraw/zinc/27/46/43/592274643.db2.gz AWVSGZFKIHTDHG-VIFPVBQESA-N -1 3 249.289 2.116 20 10 BECDHM CC(C)[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])C(=O)[O-] ZINC000043429653 597733264 /nfs/dbraw/zinc/73/32/64/597733264.db2.gz IBIKHMFRVVGBGW-JOYOIKCWSA-N -1 3 237.299 2.152 20 10 BECDHM O=C([O-])C[C@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000086757176 598153647 /nfs/dbraw/zinc/15/36/47/598153647.db2.gz DSCNWYVPSIVJEH-LLVKDONJSA-N -1 3 249.310 2.079 20 10 BECDHM O=C([O-])C[C@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000086757176 598153648 /nfs/dbraw/zinc/15/36/48/598153648.db2.gz DSCNWYVPSIVJEH-LLVKDONJSA-N -1 3 249.310 2.079 20 10 BECDHM