smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCC[C@H](NC(=O)c1ccc([O-])c(Cl)c1)C(=O)[O-] ZINC000829333137 601760823 /nfs/dbraw/zinc/76/08/23/601760823.db2.gz IQPWLBGABNHPTM-NSHDSACASA-N -2 0 299.754 2.809 20 0 CFADRL CCC[C@@H](C)Oc1ccc(OP(=O)([O-])[O-])cc1 ZINC001234331310 778209403 /nfs/dbraw/zinc/20/94/03/778209403.db2.gz DYRKKZSNNVQPJV-SECBINFHSA-N -2 0 260.226 2.726 20 0 CFADRL CC[C@H](C)[C@@H](C)Oc1ccc(OP(=O)([O-])[O-])cc1 ZINC001234333473 778210266 /nfs/dbraw/zinc/21/02/66/778210266.db2.gz WLMNYASLFXHSFE-VHSXEESVSA-N -2 0 274.253 2.972 20 0 CFADRL C[C@H](Oc1ccc(OP(=O)([O-])[O-])cc1)c1ccccn1 ZINC001234333232 778210509 /nfs/dbraw/zinc/21/05/09/778210509.db2.gz WAPGOXGKNHZKIF-JTQLQIEISA-N -2 0 295.231 2.693 20 0 CFADRL COc1cc(-c2ccc(P(=O)([O-])[O-])cc2)cc(C)c1F ZINC001236205116 778733663 /nfs/dbraw/zinc/73/36/63/778733663.db2.gz ARXBRVYEEXEFBL-UHFFFAOYSA-N -2 0 296.234 2.613 20 0 CFADRL [S-]c1cc([S-])cc(-c2cnn(CC3OCCO3)c2)c1 ZINC001236301436 778766533 /nfs/dbraw/zinc/76/65/33/778766533.db2.gz HGCXOLWMPABRSC-UHFFFAOYSA-N -2 0 294.401 2.500 20 0 CFADRL O=C([O-])c1ccc(-c2ccccc2C(=O)[O-])c(F)c1 ZINC001239254898 779485872 /nfs/dbraw/zinc/48/58/72/779485872.db2.gz SSTFNTUBUGMNDY-UHFFFAOYSA-N -2 0 260.220 2.889 20 0 CFADRL CC(=O)c1ccc(-c2c(C(=O)[O-])cccc2C(=O)[O-])cc1 ZINC001239629551 779673700 /nfs/dbraw/zinc/67/37/00/779673700.db2.gz HWDVMUIPRQTSKB-UHFFFAOYSA-N -2 0 284.267 2.953 20 0 CFADRL O=P([O-])([O-])c1ccc(-c2cnc3ccccc3c2)cc1 ZINC001239794376 779777415 /nfs/dbraw/zinc/77/74/15/779777415.db2.gz CQBCHLKEYBYNKO-UHFFFAOYSA-N -2 0 285.239 2.705 20 0 CFADRL Cc1cnc(C)c(-c2c(C(=O)[O-])cccc2C(=O)[O-])c1 ZINC001239900482 779852968 /nfs/dbraw/zinc/85/29/68/779852968.db2.gz GSWALSNSINAJNJ-UHFFFAOYSA-N -2 0 271.272 2.762 20 0 CFADRL O=P([O-])([O-])c1ccc(-c2c3cc[nH]c3ccc2F)cc1 ZINC001240227381 780013940 /nfs/dbraw/zinc/01/39/40/780013940.db2.gz YQNWEXUTYLYXTK-UHFFFAOYSA-N -2 0 291.218 2.777 20 0 CFADRL O=C([O-])c1cccc(C(=O)[O-])c1-c1cc(F)ccc1O ZINC001240696169 780368488 /nfs/dbraw/zinc/36/84/88/780368488.db2.gz FAQUCTPJCYSCAX-UHFFFAOYSA-N -2 0 276.219 2.595 20 0 CFADRL C=Cc1ccccc1-c1ccc(P(=O)([O-])[O-])cc1 ZINC001242014651 781231660 /nfs/dbraw/zinc/23/16/60/781231660.db2.gz RAJPOSAKYRCVLC-UHFFFAOYSA-N -2 0 260.229 2.800 20 0 CFADRL CC(C)c1cc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)ncn1 ZINC001242159343 781307876 /nfs/dbraw/zinc/30/78/76/781307876.db2.gz IIMWDHGLRWDIFO-UHFFFAOYSA-N -2 0 286.287 2.663 20 0 CFADRL CC(C)c1ccc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)nn1 ZINC001242159173 781307900 /nfs/dbraw/zinc/30/79/00/781307900.db2.gz BJGJSMMWVMXKHG-UHFFFAOYSA-N -2 0 286.287 2.663 20 0 CFADRL Cc1cc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)nc(C2CC2)n1 ZINC001242160142 781308373 /nfs/dbraw/zinc/30/83/73/781308373.db2.gz DXSKKBWIJNCYBT-UHFFFAOYSA-N -2 0 298.298 2.726 20 0 CFADRL Cc1nc2cc(-c3cc(C(=O)[O-])cc(C(=O)[O-])c3)ccc2[nH]1 ZINC001242160953 781308605 /nfs/dbraw/zinc/30/86/05/781308605.db2.gz MBJNVAYPHPFFNZ-UHFFFAOYSA-N -2 0 296.282 2.935 20 0 CFADRL Cc1cc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)cnc1F ZINC001242160736 781308876 /nfs/dbraw/zinc/30/88/76/781308876.db2.gz IUADPGAFYMOGOI-UHFFFAOYSA-N -2 0 275.235 2.593 20 0 CFADRL Cc1cnc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c(F)c1 ZINC001242159835 781308972 /nfs/dbraw/zinc/30/89/72/781308972.db2.gz TTXMTQWWXGVVFC-UHFFFAOYSA-N -2 0 275.235 2.593 20 0 CFADRL CCc1cncc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1 ZINC001242161708 781309427 /nfs/dbraw/zinc/30/94/27/781309427.db2.gz JBPDGQHJGHOZSV-UHFFFAOYSA-N -2 0 271.272 2.707 20 0 CFADRL Cc1nc2cncc(-c3cc(C(=O)[O-])cc(C(=O)[O-])c3)c2o1 ZINC001242162066 781309705 /nfs/dbraw/zinc/30/97/05/781309705.db2.gz BRTXSDKKVIPKME-UHFFFAOYSA-N -2 0 298.254 2.595 20 0 CFADRL O=C([O-])Cn1cc(-c2ccc3[n-]c(=S)sc3c2)cn1 ZINC001242184203 781316399 /nfs/dbraw/zinc/31/63/99/781316399.db2.gz DAVLHNZHZJFOFA-UHFFFAOYSA-N -2 0 291.357 2.533 20 0 CFADRL O=C([O-])c1cccc(C(=O)[O-])c1-c1ccnc(OC2CC2)c1 ZINC001242722789 781720552 /nfs/dbraw/zinc/72/05/52/781720552.db2.gz OTNYHDQHBJEAGO-UHFFFAOYSA-N -2 0 299.282 2.686 20 0 CFADRL O=c1[nH]c(-c2cc(O)cc(Cl)c2)nc2cccnc12 ZINC000352206857 540885276 /nfs/dbraw/zinc/88/52/76/540885276.db2.gz PQCVLHOXOCQHDP-UHFFFAOYSA-N -2 0 273.679 2.756 20 0 CFADRL C[C@H]1CCc2[n-]n(-c3ccc(C(=O)[O-])cc3F)c(=O)c2C1 ZINC000634619176 383279233 /nfs/dbraw/zinc/27/92/33/383279233.db2.gz RDXPTNALCUBIEU-WCBMZHEXSA-N -2 0 290.294 2.663 20 0 CFADRL C[C@H](CN=c1nc(C2CCCCC2)[n-]s1)CC(=O)[O-] ZINC000568517341 383411259 /nfs/dbraw/zinc/41/12/59/383411259.db2.gz JAARJFOQZFCDDE-VIFPVBQESA-N -2 0 283.397 2.530 20 0 CFADRL CCCc1nc(=NC(=O)c2ccc(Cl)cc2[O-])s[n-]1 ZINC000436709390 383876036 /nfs/dbraw/zinc/87/60/36/383876036.db2.gz MXGWSPMPXQZHLT-UHFFFAOYSA-N -2 0 297.767 2.524 20 0 CFADRL Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1cccs1 ZINC000021954146 171340870 /nfs/dbraw/zinc/34/08/70/171340870.db2.gz WTPFXEHIEYGDCJ-UHFFFAOYSA-N -2 0 297.357 2.556 20 0 CFADRL Cc1cc(C(=O)[O-])cc(-c2cnc(C(=O)[O-])c(C)c2)c1 ZINC001243176589 782037400 /nfs/dbraw/zinc/03/74/00/782037400.db2.gz FRFPJGFJSBFPTH-UHFFFAOYSA-N -2 0 271.272 2.762 20 0 CFADRL O=C([O-])c1ccc(-c2c(C(=O)[O-])cccc2C(=O)[O-])s1 ZINC001240846835 782079332 /nfs/dbraw/zinc/07/93/32/782079332.db2.gz YHUJXWYQJIHTBV-UHFFFAOYSA-N -3 0 292.268 2.510 20 0 CFADRL O=C([O-])Cc1ccc(-n2[n-]c(C3CCCC3)cc2=O)cc1 ZINC000871961405 641533681 /nfs/dbraw/zinc/53/36/81/641533681.db2.gz KCNJRJQDQSLDOG-UHFFFAOYSA-N -2 0 286.331 2.597 20 0 CFADRL O=P([O-])([O-])Oc1ccc(O[C@H]2C=CCCC2)cc1 ZINC001234333193 778209012 /nfs/dbraw/zinc/20/90/12/778209012.db2.gz VKTHBGAZTNMYMH-JTQLQIEISA-N -2 0 270.221 2.646 20 0 CFADRL Cc1nc(O[C@@H](C)C2=CC=C[CH]2)c(Br)c(=O)[n-]1 ZINC001234567046 778253298 /nfs/dbraw/zinc/25/32/98/778253298.db2.gz ASVSLVKFRXZOQF-ZETCQYMHSA-N -2 0 296.144 2.721 20 0 CFADRL O=c1ccc(CNc2cc([S-])cc([S-])c2)c[nH]1 ZINC001168305057 778418780 /nfs/dbraw/zinc/41/87/80/778418780.db2.gz SZQILJDENZIIJE-UHFFFAOYSA-N -2 0 264.375 2.977 20 0 CFADRL O=C([O-])c1cccc(C(=O)[O-])c1-c1ccc2c(c1)CCO2 ZINC001239804691 779787464 /nfs/dbraw/zinc/78/74/64/779787464.db2.gz NFFWNEBQXIHLBZ-UHFFFAOYSA-N -2 0 284.267 2.685 20 0 CFADRL COc1cc(F)ccc1-c1c(C(=O)[O-])cccc1C(=O)[O-] ZINC001239997400 779901951 /nfs/dbraw/zinc/90/19/51/779901951.db2.gz SPZDEAQQFOFGTC-UHFFFAOYSA-N -2 0 290.246 2.898 20 0 CFADRL O=P([O-])([O-])c1ccc(-c2cccc3cnccc32)cc1 ZINC001240010954 779909416 /nfs/dbraw/zinc/90/94/16/779909416.db2.gz MZTOMWIKZPPSJT-UHFFFAOYSA-N -2 0 285.239 2.705 20 0 CFADRL COc1ccc(-c2c(C(=O)[O-])cccc2C(=O)[O-])c(F)c1 ZINC001240020783 779917740 /nfs/dbraw/zinc/91/77/40/779917740.db2.gz SWMCJFLIGZQMFK-UHFFFAOYSA-N -2 0 290.246 2.898 20 0 CFADRL CC(C)Cn1cc(-c2c(C(=O)[O-])cccc2C(=O)[O-])cn1 ZINC001240880657 780498708 /nfs/dbraw/zinc/49/87/08/780498708.db2.gz CAXAKRZQOJKOBX-UHFFFAOYSA-N -2 0 288.303 2.603 20 0 CFADRL O=C([O-])c1cccc(C(=O)[O-])c1-c1cc(O)cc(F)c1 ZINC001241266171 780745511 /nfs/dbraw/zinc/74/55/11/780745511.db2.gz GYGAJDYTQUJXJW-UHFFFAOYSA-N -2 0 276.219 2.595 20 0 CFADRL Cc1cc(-c2ccc(P(=O)([O-])[O-])cc2)ccc1F ZINC001241282258 780755021 /nfs/dbraw/zinc/75/50/21/780755021.db2.gz LODRWDXHDLIVSV-UHFFFAOYSA-N -2 0 266.208 2.604 20 0 CFADRL Cc1c2c[nH]nc2ccc1-c1c(C(=O)[O-])cccc1C(=O)[O-] ZINC001241475319 780926657 /nfs/dbraw/zinc/92/66/57/780926657.db2.gz YCRVBFROIJIFGL-UHFFFAOYSA-N -2 0 296.282 2.935 20 0 CFADRL CCc1cccc(-c2ccc(P(=O)([O-])[O-])cc2)c1 ZINC001241549987 780971444 /nfs/dbraw/zinc/97/14/44/780971444.db2.gz RRHBAPZHCSYARZ-UHFFFAOYSA-N -2 0 262.245 2.719 20 0 CFADRL Cc1cc(C)nc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1 ZINC001242159875 781308354 /nfs/dbraw/zinc/30/83/54/781308354.db2.gz VAQWPTOSARBBCP-UHFFFAOYSA-N -2 0 271.272 2.762 20 0 CFADRL Cc1cc2cc(-c3cc(C(=O)[O-])cc(C(=O)[O-])c3)ncc2[nH]1 ZINC001242160740 781308380 /nfs/dbraw/zinc/30/83/80/781308380.db2.gz PLFYHOWQNNDATB-UHFFFAOYSA-N -2 0 296.282 2.935 20 0 CFADRL Cc1cc(F)ncc1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001242160724 781308804 /nfs/dbraw/zinc/30/88/04/781308804.db2.gz IRHTZMMENSUOAC-UHFFFAOYSA-N -2 0 275.235 2.593 20 0 CFADRL Cc1c(F)nccc1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001242161559 781308869 /nfs/dbraw/zinc/30/88/69/781308869.db2.gz BNUNBZSEQYOGCB-UHFFFAOYSA-N -2 0 275.235 2.593 20 0 CFADRL Cc1ccc(O)cc1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001242162594 781309397 /nfs/dbraw/zinc/30/93/97/781309397.db2.gz IOFRMTSXLPOMTD-UHFFFAOYSA-N -2 0 272.256 2.764 20 0 CFADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2cccc(C3COC3)c2)c1 ZINC001242162617 781309424 /nfs/dbraw/zinc/30/94/24/781309424.db2.gz YSJDRSNLVBDCDX-UHFFFAOYSA-N -2 0 298.294 2.864 20 0 CFADRL O=P([O-])([O-])c1ccc(-c2cccc(Cl)c2O)cc1 ZINC001242367807 781440258 /nfs/dbraw/zinc/44/02/58/781440258.db2.gz TZINZWNDGAMHOD-UHFFFAOYSA-N -2 0 284.635 2.516 20 0 CFADRL O=C([O-])c1cccc(C(=O)[O-])c1-c1ccc2ncncc2c1 ZINC001242511430 781557405 /nfs/dbraw/zinc/55/74/05/781557405.db2.gz DOLUIOUWLRHDHQ-UHFFFAOYSA-N -2 0 294.266 2.693 20 0 CFADRL O=S(=O)(CCCCF)[N-]c1cccc(Cl)c1[O-] ZINC000294342559 199004550 /nfs/dbraw/zinc/00/45/50/199004550.db2.gz YQOONVZNSQFZGN-UHFFFAOYSA-N -2 0 281.736 2.537 20 0 CFADRL O=C([O-])c1csc(/C=C\c2ncc(C(=O)[O-])s2)c1 ZINC000445544891 241224460 /nfs/dbraw/zinc/22/44/60/241224460.db2.gz UXWHCQIKHRUITA-UPHRSURJSA-N -2 0 281.314 2.771 20 0 CFADRL CC(C)(C)CCS(=O)(=O)[N-]c1cc(F)cc(F)c1[O-] ZINC000641692080 384271002 /nfs/dbraw/zinc/27/10/02/384271002.db2.gz KKSGYFULBMCRSV-UHFFFAOYSA-N -2 0 293.335 2.848 20 0 CFADRL O=S(=O)(CCC1CC1)[N-]c1cc(F)cc(Cl)c1[O-] ZINC000274395271 385784657 /nfs/dbraw/zinc/78/46/57/385784657.db2.gz DLXNOYSBWYLCPP-UHFFFAOYSA-N -2 0 293.747 2.727 20 0 CFADRL Cc1cc(C(=O)[O-])cc(-c2cccc(S(=O)(=O)[O-])c2)c1 ZINC001243178019 782038898 /nfs/dbraw/zinc/03/88/98/782038898.db2.gz MGKAMYMAKJWIRL-UHFFFAOYSA-N -2 0 292.312 2.607 20 0 CFADRL Cc1cc(C(=O)[O-])ccc1-c1ccccc1S(=O)(=O)[O-] ZINC001243203295 782062902 /nfs/dbraw/zinc/06/29/02/782062902.db2.gz NSZKQZGDZLOIRO-UHFFFAOYSA-N -2 0 292.312 2.607 20 0 CFADRL O=C([O-])[C@@H]1CCCCCN1C(=O)c1ccc([O-])c(Cl)c1 ZINC000080987907 618003818 /nfs/dbraw/zinc/00/38/18/618003818.db2.gz SMSWEVFRQXPPTC-NSHDSACASA-N -2 0 297.738 2.515 20 0 CFADRL C[C@H](Oc1n[n-]c(=O)c(Cl)c1Cl)C1=CC=C[CH]1 ZINC001227602618 776239773 /nfs/dbraw/zinc/23/97/73/776239773.db2.gz WUWPUSMLFDJKIW-LURJTMIESA-N -2 0 272.111 2.957 20 0 CFADRL C[C@H](Oc1ccc(OP(=O)([O-])[O-])cc1)c1ccncc1 ZINC001234333132 778208662 /nfs/dbraw/zinc/20/86/62/778208662.db2.gz SUXJDZTZCIKCQE-JTQLQIEISA-N -2 0 295.231 2.693 20 0 CFADRL CC[C@H](C)[C@H](C)Oc1ccc(OP(=O)([O-])[O-])cc1 ZINC001234333472 778210962 /nfs/dbraw/zinc/21/09/62/778210962.db2.gz WLMNYASLFXHSFE-UWVGGRQHSA-N -2 0 274.253 2.972 20 0 CFADRL Cc1c(Cl)c(-c2ccc(C(=O)[O-])nn2)ccc1C(=O)[O-] ZINC001236114664 778699394 /nfs/dbraw/zinc/69/93/94/778699394.db2.gz KZHJERJNDOFTBI-UHFFFAOYSA-N -2 0 292.678 2.502 20 0 CFADRL COc1ccc(-c2c(C(=O)[O-])cccc2C(=O)[O-])cc1 ZINC001239484372 779587725 /nfs/dbraw/zinc/58/77/25/779587725.db2.gz SJMCNTHQKPYZDN-UHFFFAOYSA-N -2 0 272.256 2.759 20 0 CFADRL COc1ncc(-c2cc([S-])cc([S-])c2)cc1N ZINC001239644650 779686570 /nfs/dbraw/zinc/68/65/70/779686570.db2.gz LZDWRQQXHRVECQ-UHFFFAOYSA-N -2 0 264.375 2.917 20 0 CFADRL CC(=O)Nc1ccccc1-c1c(C(=O)[O-])cccc1C(=O)[O-] ZINC001239781058 779769380 /nfs/dbraw/zinc/76/93/80/779769380.db2.gz MHZUTYOGBHPVHF-UHFFFAOYSA-N -2 0 299.282 2.708 20 0 CFADRL O=C([O-])c1cccc(C(=O)[O-])c1-c1cccc2n[nH]cc21 ZINC001240313138 780069644 /nfs/dbraw/zinc/06/96/44/780069644.db2.gz YFYLACIBUIUDMS-UHFFFAOYSA-N -2 0 282.255 2.626 20 0 CFADRL O=P([O-])([O-])c1ccc(-c2ccc3cc[nH]c3c2)cc1 ZINC001240797341 780451084 /nfs/dbraw/zinc/45/10/84/780451084.db2.gz CJBIOCJYMHOGGV-UHFFFAOYSA-N -2 0 273.228 2.638 20 0 CFADRL Cc1ccc(C(=O)[O-])cc1-c1ccc(S(=O)(=O)[O-])cc1 ZINC001241003257 780586708 /nfs/dbraw/zinc/58/67/08/780586708.db2.gz MDGUSVPPVZOQDI-UHFFFAOYSA-N -2 0 292.312 2.607 20 0 CFADRL O=P([O-])([O-])c1ccc(-c2cc(Cl)ccc2F)cc1 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CO[C@H](C)c1cccc(-c2ccc(P(=O)([O-])[O-])cc2)c1 ZINC001242040947 781244099 /nfs/dbraw/zinc/24/40/99/781244099.db2.gz PQOXVPLNTAMJGW-LLVKDONJSA-N -2 0 292.271 2.864 20 0 CFADRL CCc1cccnc1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001242159167 781307713 /nfs/dbraw/zinc/30/77/13/781307713.db2.gz INUYDMDCWURNSI-UHFFFAOYSA-N -2 0 271.272 2.707 20 0 CFADRL Cc1cc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c(F)cn1 ZINC001242163284 781309337 /nfs/dbraw/zinc/30/93/37/781309337.db2.gz RYIKOKVYEXPVJG-UHFFFAOYSA-N -2 0 275.235 2.593 20 0 CFADRL Cc1ncc(F)cc1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001242162868 781309635 /nfs/dbraw/zinc/30/96/35/781309635.db2.gz LMRNASNHVWKINY-UHFFFAOYSA-N -2 0 275.235 2.593 20 0 CFADRL Cc1cnc2[nH]ccc2c1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001242165389 781310134 /nfs/dbraw/zinc/31/01/34/781310134.db2.gz ZVQLBXFKHVQJKW-UHFFFAOYSA-N -2 0 296.282 2.886 20 0 CFADRL C[C@@H](O)c1ccc(-c2c(C(=O)[O-])cccc2C(=O)[O-])cc1 ZINC001242645170 781668083 /nfs/dbraw/zinc/66/80/83/781668083.db2.gz 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/nfs/dbraw/zinc/95/97/76/621959776.db2.gz CWQQHJZASGXIGC-JTQLQIEISA-N -2 0 288.303 2.592 20 0 CFADRL O=P([O-])([O-])Oc1ccc(O[C@@H]2C[C@H]3C=C[C@@H]2C3)cc1 ZINC001234332584 778209597 /nfs/dbraw/zinc/20/95/97/778209597.db2.gz QGLQFHLGYCJNPQ-OPQQBVKSSA-N -2 0 282.232 2.502 20 0 CFADRL Cc1nc(O[C@H](C)C2=CC=C[CH]2)c(Br)c(=O)[n-]1 ZINC001234567045 778253244 /nfs/dbraw/zinc/25/32/44/778253244.db2.gz ASVSLVKFRXZOQF-SSDOTTSWSA-N -2 0 296.144 2.721 20 0 CFADRL O=P([O-])([O-])Oc1ccc(O[C@@H]2CCCC[C@H]2F)cc1 ZINC001234331090 779215440 /nfs/dbraw/zinc/21/54/40/779215440.db2.gz BZUMDQGMORBFLH-VXGBXAGGSA-N -2 0 290.227 2.818 20 0 CFADRL CC(C)n1ccc(-c2ccc(P(=O)([O-])[O-])cc2)c1 ZINC001239078863 779458057 /nfs/dbraw/zinc/45/80/57/779458057.db2.gz GYRLGWREDDHGQJ-UHFFFAOYSA-N -2 0 265.249 2.539 20 0 CFADRL CC(C)(O)Cn1cc(-c2cc([S-])cc([S-])c2)cn1 ZINC001240197536 779988124 /nfs/dbraw/zinc/98/81/24/779988124.db2.gz PFLKOZBDJXOCQO-UHFFFAOYSA-N -2 0 280.418 2.898 20 0 CFADRL CC[C@@H](C)C[C@@H](C)Nc1ccc(P(=O)([O-])[O-])cc1 ZINC001168694975 780352526 /nfs/dbraw/zinc/35/25/26/780352526.db2.gz SGWLVNVOJZMAKF-GHMZBOCLSA-N -2 0 271.297 2.726 20 0 CFADRL CC(=O)c1ccccc1-c1c(C(=O)[O-])cccc1C(=O)[O-] ZINC001241204879 780704504 /nfs/dbraw/zinc/70/45/04/780704504.db2.gz JBCSKZWWQHCSBZ-UHFFFAOYSA-N -2 0 284.267 2.953 20 0 CFADRL CCOc1cccc(F)c1-c1ccc(P(=O)([O-])[O-])cc1 ZINC001241253484 780736285 /nfs/dbraw/zinc/73/62/85/780736285.db2.gz GIPHNFJVOXFSJR-UHFFFAOYSA-N -2 0 296.234 2.694 20 0 CFADRL CCCn1nc(C)cc1-c1c(C(=O)[O-])cccc1C(=O)[O-] ZINC001241763027 781117126 /nfs/dbraw/zinc/11/71/26/781117126.db2.gz OXZDCXPKJPJANG-UHFFFAOYSA-N -2 0 288.303 2.665 20 0 CFADRL O=P([O-])([O-])c1ccc(-c2ccc3c(c2)CCCN3)cc1 ZINC001241836638 781150275 /nfs/dbraw/zinc/15/02/75/781150275.db2.gz AKXLJGUEBWBCSU-UHFFFAOYSA-N -2 0 289.271 2.515 20 0 CFADRL Cc1cc(-c2c(C(=O)[O-])cccc2C(=O)[O-])ccc1O ZINC001242111627 781285459 /nfs/dbraw/zinc/28/54/59/781285459.db2.gz MPHJRPISQXBVQE-UHFFFAOYSA-N -2 0 272.256 2.764 20 0 CFADRL Cc1cc(F)cnc1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001242159900 781308780 /nfs/dbraw/zinc/30/87/80/781308780.db2.gz WIOLWKUMQZOYBV-UHFFFAOYSA-N -2 0 275.235 2.593 20 0 CFADRL COc1cc(F)ccc1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001242160664 781308795 /nfs/dbraw/zinc/30/87/95/781308795.db2.gz HQPUUSDPGPWXII-UHFFFAOYSA-N -2 0 290.246 2.898 20 0 CFADRL Cc1cc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc2[nH]cnc21 ZINC001242160766 781309055 /nfs/dbraw/zinc/30/90/55/781309055.db2.gz KGYGWVJIJRTAAK-UHFFFAOYSA-N -2 0 296.282 2.935 20 0 CFADRL Cc1nc2cc(-c3cc(C(=O)[O-])cc(C(=O)[O-])c3)cnc2o1 ZINC001242165324 781310705 /nfs/dbraw/zinc/31/07/05/781310705.db2.gz YTCKPIKROVEPAI-UHFFFAOYSA-N -2 0 298.254 2.595 20 0 CFADRL CC(C)n1nccc1-c1c(C(=O)[O-])cccc1C(=O)[O-] ZINC001242558294 781597315 /nfs/dbraw/zinc/59/73/15/781597315.db2.gz QGLOVNJZKLNYKB-UHFFFAOYSA-N -2 0 274.276 2.527 20 0 CFADRL O=P([O-])([O-])c1ccc(-c2ccccc2OC2CC2)cc1 ZINC001242795125 781762551 /nfs/dbraw/zinc/76/25/51/781762551.db2.gz PTOMYPQMXNARMU-UHFFFAOYSA-N -2 0 290.255 2.698 20 0 CFADRL Cc1ccccc1-c1nc(=NCCCCC(=O)[O-])s[n-]1 ZINC000629766279 354925593 /nfs/dbraw/zinc/92/55/93/354925593.db2.gz QYPPORYPISXWPH-UHFFFAOYSA-N -2 0 291.376 2.602 20 0 CFADRL COc1cc(OC)cc(-c2nc3ccc(O)cc3c(=O)[nH]2)c1 ZINC000358124582 540960083 /nfs/dbraw/zinc/96/00/83/540960083.db2.gz KVOBIXTZKZNRCV-UHFFFAOYSA-N -2 0 298.298 2.725 20 0 CFADRL Cc1cc([N-]S(=O)(=O)c2ccsc2)cc(C(=O)[O-])c1 ZINC000507581893 541972020 /nfs/dbraw/zinc/97/20/20/541972020.db2.gz LBHKJUWVKSQJBI-UHFFFAOYSA-N -2 0 297.357 2.556 20 0 CFADRL Cc1c(C(=O)[O-])cccc1-n1[n-]c2c(c1=O)C[C@H](C)CC2 ZINC000634632910 383292509 /nfs/dbraw/zinc/29/25/09/383292509.db2.gz DSFUKHCEUUYLLG-SKDRFNHKSA-N -2 0 286.331 2.832 20 0 CFADRL O=C([O-])c1ccc(CN=c2nc(C3CCCC3)[n-]s2)o1 ZINC000649401334 395486501 /nfs/dbraw/zinc/48/65/01/395486501.db2.gz SRCLKQZAFLNPGG-UHFFFAOYSA-N -2 0 293.348 2.521 20 0 CFADRL Cc1sc(NC(=O)CC(C)(C)C(=O)[O-])c(C(=O)[O-])c1C ZINC000738395875 574167032 /nfs/dbraw/zinc/16/70/32/574167032.db2.gz DBCVFPZCTKTRMA-UHFFFAOYSA-N -2 0 299.348 2.503 20 0 CFADRL O=C([O-])c1ccc(COC(=O)c2ccc(O)cc2)s1 ZINC000833353733 601997710 /nfs/dbraw/zinc/99/77/10/601997710.db2.gz YJMPGJCJCQXQBD-UHFFFAOYSA-N -2 0 278.285 2.509 20 0 CFADRL CC[C@H](C)c1cc(=O)n(-c2ccccc2C(=O)[O-])[n-]1 ZINC000871947541 641522527 /nfs/dbraw/zinc/52/25/27/641522527.db2.gz DHWGUCGRCVEYLW-VIFPVBQESA-N -2 0 260.293 2.524 20 0 CFADRL C[C@H](OCCc1ccc(S(=O)(=O)[O-])cc1)C1=CC=C[CH]1 ZINC001224904202 775303851 /nfs/dbraw/zinc/30/38/51/775303851.db2.gz ZCUSZKFBWVTPOT-LBPRGKRZSA-N -2 0 293.364 2.581 20 0 CFADRL C[C@H](Oc1cc([O-])cc2occc(=O)c12)C1=CC=C[CH]1 ZINC001233832714 778091020 /nfs/dbraw/zinc/09/10/20/778091020.db2.gz FIHBPCLSXKGLPH-JTQLQIEISA-N -2 0 269.276 2.966 20 0 CFADRL O=P([O-])([O-])Oc1ccc(OC(C2CC2)C2CC2)cc1 ZINC001234331791 778209109 /nfs/dbraw/zinc/20/91/09/778209109.db2.gz KCCHIKQUYXUMFQ-UHFFFAOYSA-N -2 0 284.248 2.726 20 0 CFADRL O=P([O-])([O-])c1ccc(-c2cc(O)cc(Cl)c2)cc1 ZINC001235909716 778605828 /nfs/dbraw/zinc/60/58/28/778605828.db2.gz STZUJSANCPKRIL-UHFFFAOYSA-N -2 0 284.635 2.516 20 0 CFADRL O=C([O-])c1cccc(C(=O)[O-])c1C1=CCSCC1 ZINC001236367862 778793482 /nfs/dbraw/zinc/79/34/82/778793482.db2.gz UEHYBVFFCMFLAR-UHFFFAOYSA-N -2 0 264.302 2.603 20 0 CFADRL COc1ccccc1-c1c(C(=O)[O-])cccc1C(=O)[O-] ZINC001239539198 779616722 /nfs/dbraw/zinc/61/67/22/779616722.db2.gz PCCJXSZINPIJBG-UHFFFAOYSA-N -2 0 272.256 2.759 20 0 CFADRL CCc1ccc(-c2ccc(P(=O)([O-])[O-])cc2)cc1 ZINC001239588840 779645204 /nfs/dbraw/zinc/64/52/04/779645204.db2.gz YCXOTEKOOSAUOK-UHFFFAOYSA-N -2 0 262.245 2.719 20 0 CFADRL CC(=O)c1cccc(-c2c(C(=O)[O-])cccc2C(=O)[O-])c1 ZINC001239635730 779679201 /nfs/dbraw/zinc/67/92/01/779679201.db2.gz UOCPHCWZHQCNAV-UHFFFAOYSA-N -2 0 284.267 2.953 20 0 CFADRL CC(=O)Nc1ccc(-c2c(C(=O)[O-])cccc2C(=O)[O-])cc1 ZINC001239754555 779746849 /nfs/dbraw/zinc/74/68/49/779746849.db2.gz BRRRACUBEWXAHW-UHFFFAOYSA-N -2 0 299.282 2.708 20 0 CFADRL Cc1ccc(-c2c(C(=O)[O-])cccc2C(=O)[O-])c(O)c1 ZINC001241038614 780608328 /nfs/dbraw/zinc/60/83/28/780608328.db2.gz WSGAWYILMMXFBG-UHFFFAOYSA-N -2 0 272.256 2.764 20 0 CFADRL CCOc1ccc(-c2c(C(=O)[O-])cccc2C(=O)[O-])cn1 ZINC001241702973 781082328 /nfs/dbraw/zinc/08/23/28/781082328.db2.gz UXAMCAFEJPZTDN-UHFFFAOYSA-N -2 0 287.271 2.544 20 0 CFADRL COc1cccc(-c2ccc(P(=O)([O-])[O-])cc2)c1Cl ZINC001241859650 781156768 /nfs/dbraw/zinc/15/67/68/781156768.db2.gz BLWDPMFSLXVZAC-UHFFFAOYSA-N -2 0 298.662 2.819 20 0 CFADRL CSc1cccc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)n1 ZINC001242160104 781308617 /nfs/dbraw/zinc/30/86/17/781308617.db2.gz CHPDABYMDUEXFJ-UHFFFAOYSA-N -2 0 289.312 2.867 20 0 CFADRL Cc1cc(F)nc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1 ZINC001242161709 781309519 /nfs/dbraw/zinc/30/95/19/781309519.db2.gz JEAUDTMFFVUIEW-UHFFFAOYSA-N -2 0 275.235 2.593 20 0 CFADRL CSc1cnccc1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001242163852 781310360 /nfs/dbraw/zinc/31/03/60/781310360.db2.gz OTRVHPYZJNLTEW-UHFFFAOYSA-N -2 0 289.312 2.867 20 0 CFADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2cnc3c(c2)CN=N3)c1 ZINC001242163638 781310612 /nfs/dbraw/zinc/31/06/12/781310612.db2.gz DIZQKJTUNFLWSH-UHFFFAOYSA-N -2 0 283.243 2.742 20 0 CFADRL N#Cc1ccc(C(=O)[O-])nc1/C=C/c1ccc(C(=O)[O-])cc1 ZINC000031732965 346297073 /nfs/dbraw/zinc/29/70/73/346297073.db2.gz LHKOQADHHDMQAS-XVNBXDOJSA-N -2 0 294.266 2.520 20 0 CFADRL O=C([O-])Cc1cccc(-c2ccccc2C(=O)[O-])c1 ZINC000165099609 348037920 /nfs/dbraw/zinc/03/79/20/348037920.db2.gz FJHWJMNKMQEMEL-UHFFFAOYSA-N -2 0 256.257 2.679 20 0 CFADRL O=C([O-])CCCCCN=c1nc(C2CCCC2)[n-]s1 ZINC000422560302 237103320 /nfs/dbraw/zinc/10/33/20/237103320.db2.gz WXYRMRYLRPKROY-UHFFFAOYSA-N -2 0 283.397 2.675 20 0 CFADRL CC(=O)c1ccc([O-])c([N-]S(=O)(=O)C2=CCCCC2)c1 ZINC000295247022 382597990 /nfs/dbraw/zinc/59/79/90/382597990.db2.gz VYLONBGNWRBZRV-UHFFFAOYSA-N -2 0 295.360 2.794 20 0 CFADRL CC[C@H](C)c1cc(=O)n(-c2ccc(C(=O)[O-])cc2F)[n-]1 ZINC000634618840 383277889 /nfs/dbraw/zinc/27/78/89/383277889.db2.gz GAPYAFGJNRHBQA-QMMMGPOBSA-N -2 0 278.283 2.663 20 0 CFADRL Cc1c(C(=O)[O-])cccc1-n1[n-]c2c(c1=O)C[C@H](C)CC2 ZINC000634632907 383291874 /nfs/dbraw/zinc/29/18/74/383291874.db2.gz DSFUKHCEUUYLLG-BXKDBHETSA-N -2 0 286.331 2.832 20 0 CFADRL CC(=O)c1ccc([O-])c(NC(=O)c2ccc(F)cc2[O-])c1 ZINC000436677490 383870978 /nfs/dbraw/zinc/87/09/78/383870978.db2.gz CVRZHXLRHICLQZ-UHFFFAOYSA-N -2 0 289.262 2.692 20 0 CFADRL CCC[C@@H](CC)S(=O)(=O)[N-]c1cc(F)cc(F)c1[O-] ZINC000641692488 384271855 /nfs/dbraw/zinc/27/18/55/384271855.db2.gz NXTSJAKCSPVATD-SECBINFHSA-N -2 0 293.335 2.991 20 0 CFADRL O=C(/C=C/c1cncc(O)c1)Nc1cccc(Cl)c1[O-] ZINC000182162619 393508201 /nfs/dbraw/zinc/50/82/01/393508201.db2.gz PSKMNIKBELOZRK-SNAWJCMRSA-N -2 0 290.706 2.798 20 0 CFADRL CC(C)(C)CC[C@@H](N=c1[n-]nc(C(F)F)s1)C(=O)[O-] ZINC000416441723 393920385 /nfs/dbraw/zinc/92/03/85/393920385.db2.gz RNDKTXSNTLTSKL-ZCFIWIBFSA-N -2 0 293.339 2.589 20 0 CFADRL Oc1ccc(-c2nc[n-]c3nc(=S)sc2-3)cc1F ZINC001240782983 782029402 /nfs/dbraw/zinc/02/94/02/782029402.db2.gz MEXMANVFINWYGV-UHFFFAOYSA-N -2 0 279.321 2.887 20 0 CFADRL O=C([O-])Nc1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000740712900 574264005 /nfs/dbraw/zinc/26/40/05/574264005.db2.gz HKEWTYPLGDYZKA-UHFFFAOYSA-N -2 0 298.345 2.639 20 0 CFADRL O=C([O-])c1ccc(/C=C/c2cc(F)c([O-])c(F)c2)nc1 ZINC000833312703 601393671 /nfs/dbraw/zinc/39/36/71/601393671.db2.gz UDBHYOICFBABAM-HNQUOIGGSA-N -2 0 277.226 2.934 20 0 CFADRL Cc1ccccc1S(=O)(=O)[N-]c1cc(C(=O)[O-])cs1 ZINC000832981968 602115183 /nfs/dbraw/zinc/11/51/83/602115183.db2.gz RQQQQUXPSLQCGH-UHFFFAOYSA-N -2 0 297.357 2.556 20 0 CFADRL O=C([O-])Nc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000167269708 602652676 /nfs/dbraw/zinc/65/26/76/602652676.db2.gz STQCMYJXVSBMGO-UHFFFAOYSA-N -2 0 292.316 2.577 20 0 CFADRL CC(C)(C(=O)[O-])[C@@H]([N-]C(=O)C(F)(F)F)c1ccccc1 ZINC000826080681 604386764 /nfs/dbraw/zinc/38/67/64/604386764.db2.gz FDVQBFRRUKKNHS-VIFPVBQESA-N -2 0 289.253 2.517 20 0 CFADRL Cc1c(C(=O)[O-])cccc1-n1[n-]c(C2CCCC2)cc1=O ZINC000871961803 641533786 /nfs/dbraw/zinc/53/37/86/641533786.db2.gz QGTPWKVXKSRLJT-UHFFFAOYSA-N -2 0 286.331 2.976 20 0 CFADRL N#Cc1ccc([O-])c(NC(=O)c2cc(Cl)ccc2[O-])c1 ZINC000091695996 650905591 /nfs/dbraw/zinc/90/55/91/650905591.db2.gz AYXXPLJHLRHJGA-UHFFFAOYSA-N -2 0 288.690 2.875 20 0 CFADRL CCOc1c(F)cccc1-c1ccc(P(=O)([O-])[O-])cc1 ZINC001243536521 782259741 /nfs/dbraw/zinc/25/97/41/782259741.db2.gz HVBWIFHBXRZAKH-UHFFFAOYSA-N -2 0 296.234 2.694 20 0 CFADRL CC1(C)[C@@H]2C[C@@H](Oc3ccc(OP(=O)([O-])[O-])cc3)C[C@@H]21 ZINC001234331333 778209356 /nfs/dbraw/zinc/20/93/56/778209356.db2.gz FRNKGTUWOTWRBQ-XYYAHUGASA-N -2 0 298.275 2.972 20 0 CFADRL Cc1ccc(-c2c(C(=O)[O-])cccc2C(=O)[O-])c2c[nH]nc21 ZINC001236488082 778848465 /nfs/dbraw/zinc/84/84/65/778848465.db2.gz VZDISHLYXYDINE-UHFFFAOYSA-N -2 0 296.282 2.935 20 0 CFADRL CCOc1ccccc1-c1ccc(P(=O)([O-])[O-])cc1 ZINC001239558940 779626440 /nfs/dbraw/zinc/62/64/40/779626440.db2.gz BUBFWKPHVLJQJG-UHFFFAOYSA-N -2 0 278.244 2.555 20 0 CFADRL CNC(=O)c1ccc(-c2cc([S-])cc([S-])c2)cn1 ZINC001239859641 779828054 /nfs/dbraw/zinc/82/80/54/779828054.db2.gz XIZPMDCNHRWWIL-UHFFFAOYSA-N -2 0 276.386 2.686 20 0 CFADRL Cn1ccc2cc(-c3c(C(=O)[O-])cccc3C(=O)[O-])cnc21 ZINC001240836125 780469117 /nfs/dbraw/zinc/46/91/17/780469117.db2.gz XYTHFUJOMCLWMZ-UHFFFAOYSA-N -2 0 296.282 2.637 20 0 CFADRL Cc1ccc(C(=O)[O-])cc1-c1cccc(S(=O)(=O)[O-])c1 ZINC001241002504 780586642 /nfs/dbraw/zinc/58/66/42/780586642.db2.gz FJDZKPLDLLJOJG-UHFFFAOYSA-N -2 0 292.312 2.607 20 0 CFADRL Cc1ccc2n[nH]cc2c1-c1c(C(=O)[O-])cccc1C(=O)[O-] ZINC001241520122 780958749 /nfs/dbraw/zinc/95/87/49/780958749.db2.gz GUKYYOGUIPDBPO-UHFFFAOYSA-N -2 0 296.282 2.935 20 0 CFADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc3c(n2)CCC3)c1 ZINC001242159335 781307776 /nfs/dbraw/zinc/30/77/76/781307776.db2.gz HZQSKXSXDDFCER-UHFFFAOYSA-N -2 0 283.283 2.634 20 0 CFADRL Cc1cc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)ncc1F ZINC001242159263 781307989 /nfs/dbraw/zinc/30/79/89/781307989.db2.gz GMSDWISNKOZNMF-UHFFFAOYSA-N -2 0 275.235 2.593 20 0 CFADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2cccc3nccnc32)c1 ZINC001242161229 781309021 /nfs/dbraw/zinc/30/90/21/781309021.db2.gz RDPLFPBMLSMKHP-UHFFFAOYSA-N -2 0 294.266 2.693 20 0 CFADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2cccc3ncncc32)c1 ZINC001242161034 781309069 /nfs/dbraw/zinc/30/90/69/781309069.db2.gz OYYYUNXEIJLUNM-UHFFFAOYSA-N -2 0 294.266 2.693 20 0 CFADRL Cc1nc2[nH]ccc2cc1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001242162842 781309411 /nfs/dbraw/zinc/30/94/11/781309411.db2.gz KPZQNEAWQXKEOJ-UHFFFAOYSA-N -2 0 296.282 2.886 20 0 CFADRL CCOc1ncccc1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001242162571 781309524 /nfs/dbraw/zinc/30/95/24/781309524.db2.gz XTBFDZNURCZNON-UHFFFAOYSA-N -2 0 287.271 2.544 20 0 CFADRL CNc1cccc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1 ZINC001242163663 781310367 /nfs/dbraw/zinc/31/03/67/781310367.db2.gz FJHSXLMBBKFFRI-UHFFFAOYSA-N -2 0 271.272 2.792 20 0 CFADRL CCc1cc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)ccn1 ZINC001242163634 781310742 /nfs/dbraw/zinc/31/07/42/781310742.db2.gz DDYOJMBTBPSOOJ-UHFFFAOYSA-N -2 0 271.272 2.707 20 0 CFADRL Cc1cc(-c2c(C(=O)[O-])cccc2C(=O)[O-])c(C)o1 ZINC001242404589 781469322 /nfs/dbraw/zinc/46/93/22/781469322.db2.gz FLSRQQOOBIVOHA-UHFFFAOYSA-N -2 0 260.245 2.960 20 0 CFADRL CCOc1cncc(-c2c(C(=O)[O-])cccc2C(=O)[O-])c1 ZINC001242658725 781677453 /nfs/dbraw/zinc/67/74/53/781677453.db2.gz SNMGRTCNTJTWCI-UHFFFAOYSA-N -2 0 287.271 2.544 20 0 CFADRL O=C([O-])c1cccc(C(=O)[O-])c1-c1c[nH]c2ncccc12 ZINC001242860351 781804619 /nfs/dbraw/zinc/80/46/19/781804619.db2.gz IJKBPJPQSUHCOB-UHFFFAOYSA-N -2 0 282.255 2.626 20 0 CFADRL Cc1c(CO)cccc1-c1c(C(=O)[O-])cccc1C(=O)[O-] ZINC001243015475 781924277 /nfs/dbraw/zinc/92/42/77/781924277.db2.gz YTIULNKXAXSHGM-UHFFFAOYSA-N -2 0 286.283 2.551 20 0 CFADRL Cc1cc(S(=O)(=O)Nc2cccc(O)c2F)c(C)o1 ZINC000182827575 381165977 /nfs/dbraw/zinc/16/59/77/381165977.db2.gz MDHPMINGKOZUDX-UHFFFAOYSA-N -2 0 285.296 2.542 20 0 CFADRL Cc1cscc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000387072543 382595421 /nfs/dbraw/zinc/59/54/21/382595421.db2.gz YYADHCUNRJGMHJ-UHFFFAOYSA-N -2 0 297.357 2.556 20 0 CFADRL CC(C)(C)c1n[n-]c(=NCC2(C(=O)[O-])CCCCC2)s1 ZINC000575185210 382730764 /nfs/dbraw/zinc/73/07/64/382730764.db2.gz QUQWRKNHVVGJQZ-UHFFFAOYSA-N -2 0 297.424 2.705 20 0 CFADRL O=C([O-])c1csc(/C=C/c2cc(C(=O)[O-])ccn2)c1 ZINC000340588404 383480159 /nfs/dbraw/zinc/48/01/59/383480159.db2.gz DWSXRFZUAMMHTL-OWOJBTEDSA-N -2 0 275.285 2.710 20 0 CFADRL CC(C)C[C@@H](CN=c1nc(C2CCCC2)[n-]s1)C(=O)[O-] ZINC000424381447 393841921 /nfs/dbraw/zinc/84/19/21/393841921.db2.gz ZACZHPDQFKTRRV-NSHDSACASA-N -2 0 297.424 2.776 20 0 CFADRL O=C([O-])CCCCCN=c1[n-]nc(-c2ccccc2)s1 ZINC000416426218 393918453 /nfs/dbraw/zinc/91/84/53/393918453.db2.gz LNAQRIJVSFODBE-UHFFFAOYSA-N -2 0 291.376 2.684 20 0 CFADRL O=C([O-])c1cnc(/C=C/c2cc(F)c([O-])c(F)c2)s1 ZINC000436773887 394022184 /nfs/dbraw/zinc/02/21/84/394022184.db2.gz RGXHHAAEFHCGCG-OWOJBTEDSA-N -2 0 283.255 2.996 20 0 CFADRL Cc1ccsc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1 ZINC000356694370 155332306 /nfs/dbraw/zinc/33/23/06/155332306.db2.gz DGHDYVBJUNGAGC-UHFFFAOYSA-N -2 0 297.357 2.556 20 0 CFADRL CC(C)(C)[C@@H](C(=O)[O-])C(=O)Nc1cccc(Cl)c1[O-] ZINC000663041129 414648029 /nfs/dbraw/zinc/64/80/29/414648029.db2.gz JXQMSXMREHYOKS-SECBINFHSA-N -2 0 285.727 2.731 20 0 CFADRL Cc1cc(C(=O)[O-])cc(-c2ccc(S(=O)(=O)[O-])cc2)c1 ZINC001243180327 782040672 /nfs/dbraw/zinc/04/06/72/782040672.db2.gz GDYUDCLPWAXESC-UHFFFAOYSA-N -2 0 292.312 2.607 20 0 CFADRL Cc1cc(-c2ccc(S(=O)(=O)[O-])cc2)ccc1C(=O)[O-] ZINC001243216040 782076606 /nfs/dbraw/zinc/07/66/06/782076606.db2.gz CBIFBZBWSBIMFV-UHFFFAOYSA-N -2 0 292.312 2.607 20 0 CFADRL O=C([O-])C1(C(=O)Nc2cc(Cl)c([O-])c(Cl)c2)CC1 ZINC000583608547 325299415 /nfs/dbraw/zinc/29/94/15/325299415.db2.gz FCFRVYYYQSMAHF-UHFFFAOYSA-N -2 0 290.102 2.502 20 0 CFADRL O=C([O-])c1cnc(/C=C/c2cccc(C(=O)[O-])c2)s1 ZINC000358198733 526402442 /nfs/dbraw/zinc/40/24/42/526402442.db2.gz ABFQLOIURWTZNR-SNAWJCMRSA-N -2 0 275.285 2.710 20 0 CFADRL COc1c(C)cc(-c2ccc(P(=O)([O-])[O-])cc2)cc1C ZINC001241019908 782182560 /nfs/dbraw/zinc/18/25/60/782182560.db2.gz PFXOMVCCDXBOBT-UHFFFAOYSA-N -2 0 292.271 2.782 20 0 CFADRL O=C([O-])/C(=C\c1cc(F)c([O-])c(F)c1)c1ccncc1 ZINC000833161442 601393926 /nfs/dbraw/zinc/39/39/26/601393926.db2.gz CBVOPIXMMWCNCY-YHYXMXQVSA-N -2 0 277.226 2.691 20 0 CFADRL O=C([O-])Nc1ccc(NC(=O)c2ccc(F)cc2[O-])cc1 ZINC000834261093 605830198 /nfs/dbraw/zinc/83/01/98/605830198.db2.gz AHKGMODQKMHPLY-UHFFFAOYSA-N -2 0 290.250 2.874 20 0 CFADRL Cc1ccc(C(=O)[O-])cc1-c1cn(C(C)C)nc1C(=O)[O-] ZINC000906251557 621959896 /nfs/dbraw/zinc/95/98/96/621959896.db2.gz QVKZATJQQBZDPN-UHFFFAOYSA-N -2 0 288.303 2.836 20 0 CFADRL CC[C@@H](C)c1cc(=O)n(-c2ccccc2C(=O)[O-])[n-]1 ZINC000871947540 641523270 /nfs/dbraw/zinc/52/32/70/641523270.db2.gz DHWGUCGRCVEYLW-SECBINFHSA-N -2 0 260.293 2.524 20 0 CFADRL Cc1ccc(Nc2cc(=O)[n-]c(Cl)n2)cc1C(=O)[O-] ZINC001211596660 775165389 /nfs/dbraw/zinc/16/53/89/775165389.db2.gz IOBVLXHIRPQFGD-UHFFFAOYSA-N -2 0 279.683 2.586 20 0 CFADRL C[C@@H](Oc1n[n-]c(=O)c(Cl)c1Cl)C1=CC=C[CH]1 ZINC001227602621 776239508 /nfs/dbraw/zinc/23/95/08/776239508.db2.gz WUWPUSMLFDJKIW-ZCFIWIBFSA-N -2 0 272.111 2.957 20 0 CFADRL O=P([O-])([O-])c1ccc(-c2coc3ccccc32)cc1 ZINC001239065196 779456255 /nfs/dbraw/zinc/45/62/55/779456255.db2.gz UEKXPRHOFPZEKR-UHFFFAOYSA-N -2 0 274.212 2.903 20 0 CFADRL COc1cccc(-c2c(C(=O)[O-])cccc2C(=O)[O-])c1 ZINC001239520026 779603793 /nfs/dbraw/zinc/60/37/93/779603793.db2.gz ZXDKYJHPMVBKTH-UHFFFAOYSA-N -2 0 272.256 2.759 20 0 CFADRL COc1ncc(-c2cc([S-])cc([S-])c2)c(OC)n1 ZINC001240907884 780513430 /nfs/dbraw/zinc/51/34/30/780513430.db2.gz WSQSREXMMDBYDF-UHFFFAOYSA-N -2 0 280.374 2.738 20 0 CFADRL CCOc1cc(F)cc(-c2ccc(P(=O)([O-])[O-])cc2)c1 ZINC001241028130 780601118 /nfs/dbraw/zinc/60/11/18/780601118.db2.gz KQVLCYJNOQLUFI-UHFFFAOYSA-N -2 0 296.234 2.694 20 0 CFADRL CCOc1cccc(-c2ccc(P(=O)([O-])[O-])cc2)c1 ZINC001241117306 780646641 /nfs/dbraw/zinc/64/66/41/780646641.db2.gz INPRKZRKSLAKHL-UHFFFAOYSA-N -2 0 278.244 2.555 20 0 CFADRL Cc1cc(-c2ccc(F)c(C(=O)[O-])c2)cnc1C(=O)[O-] ZINC001241246890 780731310 /nfs/dbraw/zinc/73/13/10/780731310.db2.gz HQQGQVMKHBUKGG-UHFFFAOYSA-N -2 0 275.235 2.593 20 0 CFADRL CSc1cccc(-c2ccc(P(=O)([O-])[O-])cc2)c1 ZINC001241315645 780776090 /nfs/dbraw/zinc/77/60/90/780776090.db2.gz MPGNMYZHPKVVBG-UHFFFAOYSA-N -2 0 280.285 2.879 20 0 CFADRL O=P([O-])([O-])c1ccc(/C=C/Cc2ccccc2)cc1 ZINC001242141577 781298115 /nfs/dbraw/zinc/29/81/15/781298115.db2.gz AIUAZIAQOPTVOD-XBXARRHUSA-N -2 0 274.256 2.746 20 0 CFADRL Cc1cc2ccnc(-c3cc(C(=O)[O-])cc(C(=O)[O-])c3)c2[nH]1 ZINC001242159378 781308084 /nfs/dbraw/zinc/30/80/84/781308084.db2.gz NIPCJTRAEPDIOR-UHFFFAOYSA-N -2 0 296.282 2.935 20 0 CFADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2ncc3ccccc3n2)c1 ZINC001242159836 781308840 /nfs/dbraw/zinc/30/88/40/781308840.db2.gz TVYPVPACVNQJTK-UHFFFAOYSA-N -2 0 294.266 2.693 20 0 CFADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2ccnc3[nH]ccc32)c1 ZINC001242161549 781308948 /nfs/dbraw/zinc/30/89/48/781308948.db2.gz ZGMXRHUWGRSBIU-UHFFFAOYSA-N -2 0 282.255 2.626 20 0 CFADRL Cn1ccc2ncc(-c3cc(C(=O)[O-])cc(C(=O)[O-])c3)cc21 ZINC001242163162 781309237 /nfs/dbraw/zinc/30/92/37/781309237.db2.gz POJFVGCJCKGMCZ-UHFFFAOYSA-N -2 0 296.282 2.637 20 0 CFADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2cnc3ccncc3c2)c1 ZINC001242163208 781309392 /nfs/dbraw/zinc/30/93/92/781309392.db2.gz QVHRRTSMASMAAP-UHFFFAOYSA-N -2 0 294.266 2.693 20 0 CFADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2cccc3oncc32)c1 ZINC001242161887 781309841 /nfs/dbraw/zinc/30/98/41/781309841.db2.gz NBESKBKVVVSEMI-UHFFFAOYSA-N -2 0 283.239 2.891 20 0 CFADRL O=P([O-])([O-])c1ccc(-c2ccc3cnccc3c2)cc1 ZINC001242245763 781343857 /nfs/dbraw/zinc/34/38/57/781343857.db2.gz QAAKOXRLVYXZTQ-UHFFFAOYSA-N -2 0 285.239 2.705 20 0 CFADRL Cc1c(F)c(F)ccc1-c1ccc(P(=O)([O-])[O-])cc1 ZINC001242307962 781385501 /nfs/dbraw/zinc/38/55/01/781385501.db2.gz PBDWNSRKBNJJPB-UHFFFAOYSA-N -2 0 284.198 2.743 20 0 CFADRL O=C([O-])c1cccc(C(=O)[O-])c1-c1ccc2ocnc2c1 ZINC001242597798 781628938 /nfs/dbraw/zinc/62/89/38/781628938.db2.gz RSRPRGKCLZGHQC-UHFFFAOYSA-N -2 0 283.239 2.891 20 0 CFADRL CCc1cc(OC)ccc1-c1ccc(P(=O)([O-])[O-])cc1 ZINC001242700621 781704407 /nfs/dbraw/zinc/70/44/07/781704407.db2.gz PIXCTDYIKKJPPC-UHFFFAOYSA-N -2 0 292.271 2.728 20 0 CFADRL O=C([O-])c1ccccc1-c1nc[n-]c2nc(=S)sc1-2 ZINC001242879122 781819327 /nfs/dbraw/zinc/81/93/27/781819327.db2.gz OZHINRDXKMHEEK-UHFFFAOYSA-N -2 0 289.341 2.740 20 0 CFADRL CCC(CC)(CN=c1nc(C2CCCC2)[n-]s1)C(=O)[O-] ZINC000424374023 281227424 /nfs/dbraw/zinc/22/74/24/281227424.db2.gz KPPJKIXUVPFOKG-UHFFFAOYSA-N -2 0 297.424 2.921 20 0 CFADRL Cc1cc(C(=O)[O-])ccc1-c1cnc(C(=O)[O-])c(C)c1 ZINC001243205845 782065535 /nfs/dbraw/zinc/06/55/35/782065535.db2.gz OKEWXHMZMFPEJM-UHFFFAOYSA-N -2 0 271.272 2.762 20 0 CFADRL Cn1c(-c2ccc(P(=O)([O-])[O-])cc2)cc2ccccc21 ZINC001243356474 782154853 /nfs/dbraw/zinc/15/48/53/782154853.db2.gz RVSDIVKCLSOKFT-UHFFFAOYSA-N -2 0 287.255 2.648 20 0 CFADRL CC(C)C[C@H](CNC(=O)c1ccc([O-])c(Cl)c1)C(=O)[O-] ZINC000094701752 600774297 /nfs/dbraw/zinc/77/42/97/600774297.db2.gz XXVNMGIKQUBXOF-SNVBAGLBSA-N -2 0 299.754 2.522 20 0 CFADRL Cc1ccc2nc(-c3ccc(C(=O)[O-])cc3)[nH]c(=O)c2c1 ZINC000080128454 617788959 /nfs/dbraw/zinc/78/89/59/617788959.db2.gz QXMXUQQOCZLAGR-UHFFFAOYSA-N -2 0 280.283 2.597 20 0 CFADRL CCOc1cc(C)ccc1-c1ccc(P(=O)([O-])[O-])cc1 ZINC001243416593 782188317 /nfs/dbraw/zinc/18/83/17/782188317.db2.gz UTUQFHSSSGQCGY-UHFFFAOYSA-N -2 0 292.271 2.864 20 0 CFADRL OCC1(Nc2cc([S-])cc([S-])c2)CCCC1 ZINC001167806659 776510610 /nfs/dbraw/zinc/51/06/10/776510610.db2.gz LEBUBWMYPWZYSO-UHFFFAOYSA-N -2 0 255.408 2.981 20 0 CFADRL C[C@H]1CC[C@@H](Oc2ccc(OP(=O)([O-])[O-])cc2)C1 ZINC001234333540 778210123 /nfs/dbraw/zinc/21/01/23/778210123.db2.gz WZJBYESSUSHJQP-JOYOIKCWSA-N -2 0 272.237 2.726 20 0 CFADRL Cc1nc(Nc2cc(Cl)cc(C(=O)[O-])c2)cc(=O)[nH]1 ZINC001211958280 778295894 /nfs/dbraw/zinc/29/58/94/778295894.db2.gz IXKODAWDOZGYHJ-UHFFFAOYSA-N -2 0 279.683 2.586 20 0 CFADRL Cc1ccc(F)c(-c2c(C(=O)[O-])cccc2C(=O)[O-])c1O ZINC001236401811 778803024 /nfs/dbraw/zinc/80/30/24/778803024.db2.gz DOXYRCTYKIMFCU-UHFFFAOYSA-N -2 0 290.246 2.903 20 0 CFADRL Cc1cc(-c2cc(F)c(C(=O)[O-])c(F)c2)cnc1C(=O)[O-] ZINC001239361924 779538275 /nfs/dbraw/zinc/53/82/75/779538275.db2.gz FFTZKDAOJPYCGO-UHFFFAOYSA-N -2 0 293.225 2.732 20 0 CFADRL COc1cccc(-c2c(C(=O)[O-])cccc2C(=O)[O-])c1F ZINC001239748859 779742804 /nfs/dbraw/zinc/74/28/04/779742804.db2.gz VDQOWBKRNSBPAG-UHFFFAOYSA-N -2 0 290.246 2.898 20 0 CFADRL Cn1cnc2ccc(-c3c(C(=O)[O-])cccc3C(=O)[O-])cc21 ZINC001240318476 780075587 /nfs/dbraw/zinc/07/55/87/780075587.db2.gz GTDYWUPMIYIMLR-UHFFFAOYSA-N -2 0 296.282 2.637 20 0 CFADRL CCOc1ccc(-c2ccc(P(=O)([O-])[O-])cc2)cc1C ZINC001241199262 780699445 /nfs/dbraw/zinc/69/94/45/780699445.db2.gz YJRNUSHWKJFLIW-UHFFFAOYSA-N -2 0 292.271 2.864 20 0 CFADRL CCOc1cc(F)ccc1-c1ccc(P(=O)([O-])[O-])cc1 ZINC001241321397 780780899 /nfs/dbraw/zinc/78/08/99/780780899.db2.gz PPPXLQVUZRDQJM-UHFFFAOYSA-N -2 0 296.234 2.694 20 0 CFADRL COc1cc(-c2c(C(=O)[O-])cccc2C(=O)[O-])ccc1F ZINC001241418409 780864229 /nfs/dbraw/zinc/86/42/29/780864229.db2.gz MBAYRLJKXSHNPV-UHFFFAOYSA-N -2 0 290.246 2.898 20 0 CFADRL O=C([O-])c1cccc(C(=O)[O-])c1-c1ccc2c(c1)CCC2=O ZINC001242154802 781306267 /nfs/dbraw/zinc/30/62/67/781306267.db2.gz JSNGUMBGBKYWIQ-UHFFFAOYSA-N -2 0 296.278 2.879 20 0 CFADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2nccc3cccnc32)c1 ZINC001242159634 781307754 /nfs/dbraw/zinc/30/77/54/781307754.db2.gz OILXIVMYIVVZOG-UHFFFAOYSA-N -2 0 294.266 2.693 20 0 CFADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2nncc3ccccc32)c1 ZINC001242159136 781307807 /nfs/dbraw/zinc/30/78/07/781307807.db2.gz AEEMUGGLMRLRHU-UHFFFAOYSA-N -2 0 294.266 2.693 20 0 CFADRL Cc1ccnc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1F ZINC001242159160 781308041 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CC(=O)c1[n-]c(=N[C@H](CCC(C)(C)C)C(=O)[O-])sc1C ZINC000416444730 393921194 /nfs/dbraw/zinc/92/11/94/393921194.db2.gz ZFTCYVBXJGUZOZ-SNVBAGLBSA-N -2 0 298.408 2.767 20 0 CFADRL CCC[C@@H](CC)S(=O)(=O)Nc1cccc(F)c1O ZINC000530144740 394460673 /nfs/dbraw/zinc/46/06/73/394460673.db2.gz KCHYAYRQMPGRLN-SECBINFHSA-N -2 0 275.345 2.852 20 0 CFADRL Cc1cc(-c2ccc(C(=O)[O-])s2)cnc1C(=O)[O-] ZINC001240847901 782081635 /nfs/dbraw/zinc/08/16/35/782081635.db2.gz REFQFCWRQDQAKI-UHFFFAOYSA-N -2 0 263.274 2.515 20 0 CFADRL Cc1ccc(C(=O)[O-])cc1-c1cnn([C@H](C)CC(=O)[O-])c1 ZINC000906249919 621959794 /nfs/dbraw/zinc/95/97/94/621959794.db2.gz CWQQHJZASGXIGC-SNVBAGLBSA-N -2 0 288.303 2.592 20 0 CFADRL CC(C)[C@@](C)(CC(=O)[O-])NC(=O)c1ccc([O-])c(Cl)c1 ZINC000909693759 622346002 /nfs/dbraw/zinc/34/60/02/622346002.db2.gz JKROMNBLIAJHTK-CQSZACIVSA-N -2 0 299.754 2.665 20 0 CFADRL CC(C)C[C@H](C(=O)[O-])N(C)C(=O)c1ccc([O-])c(Cl)c1 ZINC000910377431 622437224 /nfs/dbraw/zinc/43/72/24/622437224.db2.gz 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CC(C)C[C@H](CNC(=O)c1cccc(Cl)c1[O-])C(=O)[O-] ZINC000833477230 605252517 /nfs/dbraw/zinc/25/25/17/605252517.db2.gz AJWKOAMKKXEAFR-SECBINFHSA-N -2 0 299.754 2.522 20 0 CFADRL O=C([O-])N1CCCC[C@H]1C(=O)Nc1cccc(Cl)c1[O-] ZINC000834052752 605540152 /nfs/dbraw/zinc/54/01/52/605540152.db2.gz GKSOAFJZZPFLAD-JTQLQIEISA-N -2 0 298.726 2.517 20 0 CFADRL O=P([O-])([O-])Oc1ccc(O[C@@H]2CCCC[C@@H]2F)cc1 ZINC001234331087 778208863 /nfs/dbraw/zinc/20/88/63/778208863.db2.gz BZUMDQGMORBFLH-NWDGAFQWSA-N -2 0 290.227 2.818 20 0 CFADRL C[C@@H](Oc1ccc(OP(=O)([O-])[O-])cc1)C1CCC1 ZINC001234338490 778210971 /nfs/dbraw/zinc/21/09/71/778210971.db2.gz LJLSPZMQAXLCNA-SECBINFHSA-N -2 0 272.237 2.726 20 0 CFADRL CSc1ccc(-c2ccc(P(=O)([O-])[O-])cc2)cc1 ZINC001239497818 779593341 /nfs/dbraw/zinc/59/33/41/779593341.db2.gz CBVONDXICQOGGR-UHFFFAOYSA-N -2 0 280.285 2.879 20 0 CFADRL O=C([O-])c1cccc(C(=O)[O-])c1-c1ccccc1F ZINC001239553402 779622923 /nfs/dbraw/zinc/62/29/23/779622923.db2.gz COLULAZLLDZAFY-UHFFFAOYSA-N -2 0 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