smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=S(=O)([N-]c1ccc(O)cc1)c1ccc(Cl)cc1 ZINC000000285135 371578109 /nfs/dbraw/zinc/57/81/09/371578109.db2.gz MILGMZVNWOEDPJ-UHFFFAOYSA-N -1 3 283.736 2.846 50 10 CFCAHM [O-]c1ccc(Cl)cc1C1=NN[C@H](c2cccnc2)C1 ZINC000000529496 371635527 /nfs/dbraw/zinc/63/55/27/371635527.db2.gz SVETYCVPJQIWFK-LBPRGKRZSA-N -1 3 273.723 2.879 50 10 CFCAHM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(N)cc2)c1 ZINC000003268478 371787326 /nfs/dbraw/zinc/78/73/26/371787326.db2.gz AFMXMJFXCFMOSX-UHFFFAOYSA-N -1 3 276.361 2.686 50 10 CFCAHM O=C1N[C@@H](c2cc(Cl)ccc2[O-])Nc2ccccc21 ZINC000012537274 371972674 /nfs/dbraw/zinc/97/26/74/371972674.db2.gz HLEDWQZXCJNHFP-ZDUSSCGKSA-N -1 3 274.707 2.900 50 10 CFCAHM COc1ccc2ccc([O-])c(CN3CCO[C@H](C)C3)c2c1 ZINC000015525135 372087046 /nfs/dbraw/zinc/08/70/46/372087046.db2.gz WMNOUYIZZSANIQ-GFCCVEGCSA-N -1 3 287.359 2.775 50 10 CFCAHM Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1cccc(N)c1 ZINC000000109044 371532926 /nfs/dbraw/zinc/53/29/26/371532926.db2.gz WHNOPTHUJZZRQS-WJDWOHSUSA-N -1 3 292.342 2.987 50 10 CFCAHM COc1ccc(C2=NN[C@@H](c3ccccc3)C2)c([O-])c1 ZINC000000348699 371593115 /nfs/dbraw/zinc/59/31/15/371593115.db2.gz JGHLMHJQDFMBTP-CQSZACIVSA-N -1 3 268.316 2.840 50 10 CFCAHM COc1ccc2ccc([O-])c(CN3CCO[C@@H](C)C3)c2c1 ZINC000015525133 372086415 /nfs/dbraw/zinc/08/64/15/372086415.db2.gz WMNOUYIZZSANIQ-LBPRGKRZSA-N -1 3 287.359 2.775 50 10 CFCAHM O=c1cc(-c2ccc(O)c(O)c2[O-])oc2ccccc12 ZINC000097439024 375559706 /nfs/dbraw/zinc/55/97/06/375559706.db2.gz JJAXTFSPCLZPIW-UHFFFAOYSA-N -1 3 270.240 2.577 50 10 in-vitro CFCAHM CN(C)c1ccc([C@H]2N=NC([S-])N2c2ccccc2)cc1 ZINC000006273411 170187382 /nfs/dbraw/zinc/18/73/82/170187382.db2.gz ASKYFESVHOOCRZ-HNNXBMFYSA-N -1 3 298.415 2.651 50 10 CFCAHM CN(C)Cc1c([O-])ccc2cc(-c3ccccn3)c(=O)oc21 ZINC000005737587 261068414 /nfs/dbraw/zinc/06/84/14/261068414.db2.gz XEODWXZQCVCVJL-UHFFFAOYSA-N -1 3 296.326 2.622 50 10 CFCAHM CC1=NN=C(c2ccccc2)[C@H](c2ccc(O)cc2[O-])N1O ZINC000005482674 346211714 /nfs/dbraw/zinc/21/17/14/346211714.db2.gz MOLAUNODIAKMBF-INIZCTEOSA-N -1 3 297.314 2.666 50 10 CFCAHM O=c1cc(-c2cccc(O)c2[O-])oc2ccc(O)cc12 ZINC000000057846 371520266 /nfs/dbraw/zinc/52/02/66/371520266.db2.gz WAOMPPQDRVQLSX-UHFFFAOYSA-N -1 3 270.240 2.577 50 10 CFCAHM COc1cc([N+](=O)[O-])cc(CN2CCC(C)CC2)c1[O-] ZINC000000212854 371558563 /nfs/dbraw/zinc/55/85/63/371558563.db2.gz PEXWMYRDWYZYIS-UHFFFAOYSA-N -1 3 280.324 2.541 50 10 CFCAHM COc1ccc([C@@H]2CC(c3ccccc3[O-])=NN2)cc1 ZINC000000378870 371600331 /nfs/dbraw/zinc/60/03/31/371600331.db2.gz GVWZHAYQJIVQSO-AWEZNQCLSA-N -1 3 268.316 2.840 50 10 CFCAHM [O-]c1cc(Br)cc(Br)c1O ZINC000000407947 371606232 /nfs/dbraw/zinc/60/62/32/371606232.db2.gz PSHYJLFHLSZNLM-UHFFFAOYSA-N -1 3 267.904 2.623 50 10 CFCAHM [O-]c1ccc(Cl)cc1C1=NN[C@@H](c2cccnc2)C1 ZINC000000529495 371635739 /nfs/dbraw/zinc/63/57/39/371635739.db2.gz SVETYCVPJQIWFK-GFCCVEGCSA-N -1 3 273.723 2.879 50 10 CFCAHM COc1ccc([C@H]2CC(c3ccccc3[O-])=NN2C=O)cc1 ZINC000066091593 373912527 /nfs/dbraw/zinc/91/25/27/373912527.db2.gz RHTITGVOEOXIQJ-MRXNPFEDSA-N -1 3 296.326 2.708 50 10 CFCAHM O=C(COC(=O)c1cc([O-])cs1)c1cc(F)ccc1F ZINC000069897992 374106729 /nfs/dbraw/zinc/10/67/29/374106729.db2.gz MIJKYZLTSLPCIZ-UHFFFAOYSA-N -1 3 298.266 2.772 50 10 CFCAHM CCN1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000022586717 171393512 /nfs/dbraw/zinc/39/35/12/171393512.db2.gz OGHSBGOGUFBBPZ-UHFFFAOYSA-N -1 3 289.206 2.837 50 10 CFCAHM C[C@@H](CNC(=O)c1ccc([O-])c(O)c1)c1ccsc1 ZINC000097235356 347707878 /nfs/dbraw/zinc/70/78/78/347707878.db2.gz SYZYKYHXQVIHNB-VIFPVBQESA-N -1 3 277.345 2.693 50 10 CFCAHM CC(=O)N[C@@H](c1ccco1)c1ccc2cccnc2c1[O-] ZINC000000102573 371531621 /nfs/dbraw/zinc/53/16/21/371531621.db2.gz HEZNTDQCEKDWGC-OAHLLOKOSA-N -1 3 282.299 2.759 50 10 CFCAHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2)cc1 ZINC000000380170 371600529 /nfs/dbraw/zinc/60/05/29/371600529.db2.gz RFYXYTSALMIKRF-UHFFFAOYSA-N -1 3 293.344 2.592 50 10 CFCAHM C[NH+](C)Cc1c([O-])ccc(C(=O)Cc2ccccc2)c1[O-] ZINC000023135293 372252269 /nfs/dbraw/zinc/25/22/69/372252269.db2.gz OWQUSNPCWARKSA-UHFFFAOYSA-N -1 3 285.343 2.585 50 10 CFCAHM COc1ccc(C2=NN[C@H](c3ccccc3[O-])C2)cc1OC ZINC000072332564 176370709 /nfs/dbraw/zinc/37/07/09/176370709.db2.gz VMGDLRHVBDXJSL-AWEZNQCLSA-N -1 3 298.342 2.848 50 10 CFCAHM CN(CCCc1ccccc1)C(=O)c1cccc(O)c1[O-] ZINC000192985764 335328011 /nfs/dbraw/zinc/32/80/11/335328011.db2.gz BDWPZUUZMMWMHT-UHFFFAOYSA-N -1 3 285.343 2.803 50 10 CFCAHM CC[C@@H](N[C@@H](CO)c1ccco1)c1ccccc1[O-] ZINC000156135744 347992666 /nfs/dbraw/zinc/99/26/66/347992666.db2.gz MAYSEHOUWFJMRY-OLZOCXBDSA-N -1 3 261.321 2.760 50 10 CFCAHM CC1=CN2C(=NC(=O)/C(=C\c3ccc([O-])cc3)C2=N)S1 ZINC000004694965 371874041 /nfs/dbraw/zinc/87/40/41/371874041.db2.gz AGHGSKGYLQUHPJ-ZRJWAERUSA-N -1 3 285.328 2.559 50 10 CFCAHM Cc1cc([N-]S(=O)(=O)c2ccc(F)cc2C)ccc1O ZINC000095428551 375443994 /nfs/dbraw/zinc/44/39/94/375443994.db2.gz MXJIFOLKLBVLAV-UHFFFAOYSA-N -1 3 295.335 2.949 50 10 CFCAHM O=C(c1cc([O-])cs1)N1CC[C@@H](Oc2ccccc2)C1 ZINC000101140495 397593076 /nfs/dbraw/zinc/59/30/76/397593076.db2.gz RKFGEHSUMOWOHO-CYBMUJFWSA-N -1 3 289.356 2.747 50 10 CFCAHM CCOC(=O)[C@H]1CCCCN1Cc1cc(Cl)ccc1[O-] ZINC000004988124 170049675 /nfs/dbraw/zinc/04/96/75/170049675.db2.gz KUBBNQREZPYWIB-CYBMUJFWSA-N -1 3 297.782 2.963 50 10 CFCAHM [O-]c1c(O)c(O)ccc1-c1n[nH]cc1Oc1ccccc1 ZINC000005123812 170068467 /nfs/dbraw/zinc/06/84/67/170068467.db2.gz HRFJVJQXZPFJSX-UHFFFAOYSA-N -1 3 284.271 2.986 50 10 CFCAHM O=C1Nc2c(F)ccc([O-])c2C2(CCCCC2)N1 ZINC000040449987 304688245 /nfs/dbraw/zinc/68/82/45/304688245.db2.gz TXQJGYIRDJIMTR-UHFFFAOYSA-N -1 3 250.273 2.826 50 10 CFCAHM CN(C(=O)c1cccc(O)c1[O-])[C@H]1CCc2ccccc21 ZINC000192962780 335329503 /nfs/dbraw/zinc/32/95/03/335329503.db2.gz RCOTVRIAVOIIAK-AWEZNQCLSA-N -1 3 283.327 2.857 50 10 CFCAHM Cc1cc(O)cc(C)c1[N-]S(=O)(=O)c1ccccc1 ZINC000000193455 371554399 /nfs/dbraw/zinc/55/43/99/371554399.db2.gz GLDVWHQVGHPIFH-UHFFFAOYSA-N -1 3 277.345 2.810 50 10 in-vitro CFCAHM O=C1[N-]C(=O)C(=Cc2ccc(N3CCCC3)c(F)c2)S1 ZINC000000982241 371654056 /nfs/dbraw/zinc/65/40/56/371654056.db2.gz CRSVSWFCJATEAO-XYOKQWHBSA-N -1 3 292.335 2.750 50 10 CFCAHM CC(=O)c1ccc2c(c1[O-])CN(Cc1ccccc1)CO2 ZINC000019793108 372187541 /nfs/dbraw/zinc/18/75/41/372187541.db2.gz TWKMSJPCILKSKK-UHFFFAOYSA-N -1 3 283.327 2.947 50 10 CFCAHM Cc1[n-][nH]c(=O)c1C=Nc1cc(Cl)cc(Cl)c1 ZINC000100151354 375613988 /nfs/dbraw/zinc/61/39/88/375613988.db2.gz IGUVTDJNAMEDTF-BJMVGYQFSA-N -1 3 270.119 2.795 50 10 CFCAHM O=c1cc(-c2cccc(O)c2[O-])oc2ccccc12 ZINC000000039292 169513862 /nfs/dbraw/zinc/51/38/62/169513862.db2.gz NAIMYXZJCNXCQD-UHFFFAOYSA-N -1 3 254.241 2.871 50 10 CFCAHM [O-]c1c(Cl)cc(Cl)cc1[C@H]1NCCc2nc[nH]c21 ZINC000065406917 304844099 /nfs/dbraw/zinc/84/40/99/304844099.db2.gz JWJUHSACKSXFHV-SNVBAGLBSA-N -1 3 284.146 2.657 50 10 CFCAHM CCOC(=O)c1[n-]cnc1N=Nc1ccc(O)cc1OC ZINC000006693795 170226820 /nfs/dbraw/zinc/22/68/20/170226820.db2.gz BASRHZFXIXKNFO-WUKNDPDISA-N -1 3 290.279 2.716 50 10 CFCAHM O=C1N=C(N2CCCCC2)S/C1=C/c1ccc([O-])cc1 ZINC000000063609 296354711 /nfs/dbraw/zinc/35/47/11/296354711.db2.gz QGFIQSBGUAYOSQ-JLHYYAGUSA-N -1 3 288.372 2.848 50 10 CFCAHM COc1cc([C@@H]2CC(c3ccccc3[O-])=NN2)ccc1O ZINC000022242025 171382081 /nfs/dbraw/zinc/38/20/81/171382081.db2.gz WZHXRNQJIFOYSQ-LBPRGKRZSA-N -1 3 284.315 2.545 50 10 CFCAHM COc1ccc2c3ccc([O-])c(CN(C)C)c3oc(=O)c2c1 ZINC000000490380 295278519 /nfs/dbraw/zinc/27/85/19/295278519.db2.gz KHBSYSYYSHHKHZ-UHFFFAOYSA-N -1 3 299.326 2.722 50 10 CFCAHM Cc1ccc(CN(C)C(=O)c2cccc(O)c2[O-])s1 ZINC000193015700 348141655 /nfs/dbraw/zinc/14/16/55/348141655.db2.gz PDHGKWZQRMQVQC-UHFFFAOYSA-N -1 3 277.345 2.740 50 10 CFCAHM O=[N+]([O-])c1cnc(Sc2ccc([O-])cc2)s1 ZINC000071771726 374221442 /nfs/dbraw/zinc/22/14/42/374221442.db2.gz QEMVNAZIEJHPJT-UHFFFAOYSA-N -1 3 254.292 2.908 50 10 CFCAHM O=C(c1cc([O-])cs1)N1CC[C@H](Oc2ccccc2)C1 ZINC000101140498 397593079 /nfs/dbraw/zinc/59/30/79/397593079.db2.gz RKFGEHSUMOWOHO-ZDUSSCGKSA-N -1 3 289.356 2.747 50 10 CFCAHM [O-]c1c(O)c(O)ccc1-c1cnc2cc(F)c(F)cc2n1 ZINC000004770551 170014108 /nfs/dbraw/zinc/01/41/08/170014108.db2.gz NZMASTCYUZMUMS-UHFFFAOYSA-N -1 3 290.225 2.692 50 10 CFCAHM CCOC(=O)[C@@H]1CCCCN1Cc1cc(Cl)ccc1[O-] ZINC000004988120 170049444 /nfs/dbraw/zinc/04/94/44/170049444.db2.gz KUBBNQREZPYWIB-ZDUSSCGKSA-N -1 3 297.782 2.963 50 10 CFCAHM COc1ccc(S(=O)(=O)[N-]c2ccc(O)c(C)c2)cc1 ZINC000000092453 500854774 /nfs/dbraw/zinc/85/47/74/500854774.db2.gz TVPAHSLFBHQAEO-UHFFFAOYSA-N -1 3 293.344 2.510 50 10 CFCAHM CC1=NN=C(c2ccccc2)[C@@H](c2ccc(O)cc2[O-])N1O ZINC000001418865 346206136 /nfs/dbraw/zinc/20/61/36/346206136.db2.gz MOLAUNODIAKMBF-MRXNPFEDSA-N -1 3 297.314 2.666 50 10 CFCAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C)cc1 ZINC000000133754 371538133 /nfs/dbraw/zinc/53/81/33/371538133.db2.gz JKKUIIMTTCGGBQ-UHFFFAOYSA-N -1 3 277.345 2.810 50 10 CFCAHM COc1ccc(C2=NN[C@H](c3ccccc3F)C2)c([O-])c1 ZINC000000462698 371621147 /nfs/dbraw/zinc/62/11/47/371621147.db2.gz RTDJHOYAMZBQOC-AWEZNQCLSA-N -1 3 286.306 2.979 50 10 CFCAHM Cc1ccc2c(c1)CCN2C(=O)c1ccc([O-])c(O)c1 ZINC000097235385 375544006 /nfs/dbraw/zinc/54/40/06/375544006.db2.gz VVGLPYAZWYWVDQ-UHFFFAOYSA-N -1 3 269.300 2.609 50 10 CFCAHM Cc1ccc([O-])c(C(=O)N(C)Cc2ccccc2O)c1 ZINC000048606728 412911473 /nfs/dbraw/zinc/91/14/73/412911473.db2.gz QRZZDEOPEXKVSW-UHFFFAOYSA-N -1 3 271.316 2.678 50 10 CFCAHM Cc1cccc(C)c1N=Cc1c(=O)[nH][n-]c1C(F)(F)F ZINC000100145501 292436912 /nfs/dbraw/zinc/43/69/12/292436912.db2.gz IRILNTIYUOIDKW-TWGQIWQCSA-N -1 3 283.253 2.647 50 10 CFCAHM CCc1cc(=O)oc2c1cc(Cl)c([O-])c2CN(C)C ZINC000019911596 276660365 /nfs/dbraw/zinc/66/03/65/276660365.db2.gz XUYPVYVFGLEFEF-UHFFFAOYSA-N -1 3 281.739 2.776 50 10 CFCAHM CN(C)c1ccc(/C=C2\c3ccccc3C(=O)[N-]C2=O)cc1 ZINC000030058170 276800306 /nfs/dbraw/zinc/80/03/06/276800306.db2.gz QAJMACCKRWOPBF-LFIBNONCSA-N -1 3 292.338 2.563 50 10 CFCAHM COc1ccccc1-c1noc(-c2cccc(O)c2[O-])n1 ZINC000126853621 187266414 /nfs/dbraw/zinc/26/64/14/187266414.db2.gz YGYDOQDQXQONDN-UHFFFAOYSA-N -1 3 284.271 2.823 50 10 CFCAHM CC(C)(C(=O)c1ccc([O-])c(O)c1)N1CCCCC1 ZINC000096027162 347700260 /nfs/dbraw/zinc/70/02/60/347700260.db2.gz DQJCAZOCXPHMBQ-UHFFFAOYSA-N -1 3 263.337 2.545 50 10 CFCAHM Cc1ccc(C(=O)N(CC2CC2)CC2CC2)c([O-])c1O ZINC000170656287 348058294 /nfs/dbraw/zinc/05/82/94/348058294.db2.gz LKDSPTRQWXTISZ-UHFFFAOYSA-N -1 3 275.348 2.668 50 10 CFCAHM CCCCc1cc(=O)oc2c1ccc([O-])c2CN(C)C ZINC000001846141 371708008 /nfs/dbraw/zinc/70/80/08/371708008.db2.gz MUSUVMDVWQVBIN-UHFFFAOYSA-N -1 3 275.348 2.903 50 10 CFCAHM CC(=O)[N-]C1=NC(=O)/C(=C\c2cccc3ccccc23)S1 ZINC000004492289 371859050 /nfs/dbraw/zinc/85/90/50/371859050.db2.gz UZQOTGAFQHCPES-NTEUORMPSA-N -1 3 296.351 2.946 50 10 CFCAHM CC(=O)N1N=C(c2ccccc2[O-])C[C@@H]1c1ccco1 ZINC000004488457 371859346 /nfs/dbraw/zinc/85/93/46/371859346.db2.gz VKKOPGVFFDIYFA-CYBMUJFWSA-N -1 3 270.288 2.683 50 10 CFCAHM [O-]c1ccccc1C1=NN[C@H](c2ccccc2F)C1 ZINC000004897925 371875680 /nfs/dbraw/zinc/87/56/80/371875680.db2.gz XMDMAAGFWYQMJD-ZDUSSCGKSA-N -1 3 256.280 2.970 50 10 CFCAHM O=C1N=C(Nc2cccnc2)SC1=Cc1ccc([O-])cc1 ZINC000015746328 372091263 /nfs/dbraw/zinc/09/12/63/372091263.db2.gz PLZPUYIPBJNITH-JYRVWZFOSA-N -1 3 297.339 2.870 50 10 CFCAHM [O-]c1cc2[nH]c3ccccc3c2cc1CN1CCOCC1 ZINC000023466447 372260065 /nfs/dbraw/zinc/26/00/65/372260065.db2.gz NNQYBISXSHWLSP-UHFFFAOYSA-N -1 3 282.343 2.859 50 10 CFCAHM CN(C)Cc1c([O-])ccc2c3c(c(=O)oc21)CCCCC3 ZINC000005046816 170060911 /nfs/dbraw/zinc/06/09/11/170060911.db2.gz IHXVIQPMKGRQAY-UHFFFAOYSA-N -1 3 287.359 2.829 50 10 aggregator CFCAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2)cc1C ZINC000020302090 171139660 /nfs/dbraw/zinc/13/96/60/171139660.db2.gz CXGBKSHABWEXCZ-UHFFFAOYSA-N -1 3 277.345 2.810 50 10 CFCAHM CN(C)c1ccc([C@@H]2N=NC([S-])N2c2ccccc2)cc1 ZINC000002532474 326797607 /nfs/dbraw/zinc/79/76/07/326797607.db2.gz ASKYFESVHOOCRZ-OAHLLOKOSA-N -1 3 298.415 2.651 50 10 CFCAHM CC(C)c1nc(CNC(=O)c2ccc([O-])c(O)c2)cs1 ZINC000097235075 517489570 /nfs/dbraw/zinc/48/95/70/517489570.db2.gz ZDDGOVLZISXKOY-UHFFFAOYSA-N -1 3 292.360 2.608 50 10 CFCAHM CSC1=NC(C)(C)C[C@](C)(c2ccc(O)cc2[O-])N1 ZINC000000033342 371511981 /nfs/dbraw/zinc/51/19/81/371511981.db2.gz QIRYTGXNZFLQTI-CQSZACIVSA-N -1 3 280.393 2.804 50 10 CFCAHM Cc1cc(=O)oc2c1cc(Cl)c([O-])c2CN(C)C ZINC000019912931 393486739 /nfs/dbraw/zinc/48/67/39/393486739.db2.gz HOXMXMVWYGPXRV-UHFFFAOYSA-N -1 3 267.712 2.522 50 10 CFCAHM CSC1=N[C@@H](c2c([O-])ccc3ccccc32)CN=N1 ZINC000005919081 170155554 /nfs/dbraw/zinc/15/55/54/170155554.db2.gz PENGGJJBWJIDSP-LLVKDONJSA-N -1 3 271.345 2.895 50 10 CFCAHM Cc1noc(C2CC2)c1NC(=O)c1cccc(O)c1[O-] ZINC000193159657 650629187 /nfs/dbraw/zinc/62/91/87/650629187.db2.gz HLMRFBGDUFDUKU-UHFFFAOYSA-N -1 3 274.276 2.524 50 10 CFCAHM CC(=O)N1N=C(c2ccccc2[O-])C[C@H]1c1ccco1 ZINC000004488456 371859403 /nfs/dbraw/zinc/85/94/03/371859403.db2.gz VKKOPGVFFDIYFA-ZDUSSCGKSA-N -1 3 270.288 2.683 50 10 CFCAHM [O-]c1cc(O)ccc1[C@H]1NN=C(c2ccccc2)S1 ZINC000005682168 170127891 /nfs/dbraw/zinc/12/78/91/170127891.db2.gz YRIVYSDZDIREQD-AWEZNQCLSA-N -1 3 272.329 2.795 50 10 CFCAHM COC(=O)[C@@H](NCc1cc(F)ccc1[O-])c1ccccc1 ZINC000154523010 188147556 /nfs/dbraw/zinc/14/75/56/188147556.db2.gz JBZLEMBQFZDBCM-HNNXBMFYSA-N -1 3 289.306 2.535 50 10 CFCAHM O=c1c(O)c(-c2ccc([O-])c(O)c2)oc2ccccc12 ZINC000000039321 371513635 /nfs/dbraw/zinc/51/36/35/371513635.db2.gz KPGMHZQXQVDYNT-UHFFFAOYSA-N -1 3 270.240 2.577 50 10 CFCAHM Cc1ccccc1S(=O)(=O)[N-]c1ccc(O)cc1 ZINC000000362869 371594651 /nfs/dbraw/zinc/59/46/51/371594651.db2.gz AHTMJLCBLYVYHK-UHFFFAOYSA-N -1 3 263.318 2.501 50 10 CFCAHM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(O)cc2)c1 ZINC000000380201 371600515 /nfs/dbraw/zinc/60/05/15/371600515.db2.gz BJJDBOGTFMSPSR-UHFFFAOYSA-N -1 3 277.345 2.810 50 10 CFCAHM CCO/C(C)=C1/C(C)=NN(c2nc3ccccc3[n-]2)C1=O ZINC000013768524 372047944 /nfs/dbraw/zinc/04/79/44/372047944.db2.gz CSMKFQXCAANAEG-RAXLEYEMSA-N -1 3 284.319 2.596 50 10 CFCAHM Cc1ccccc1CC(=O)c1ccc([O-])c(C[NH+](C)C)c1[O-] ZINC000025583629 372302618 /nfs/dbraw/zinc/30/26/18/372302618.db2.gz MKJMLBQFHLEAFH-UHFFFAOYSA-N -1 3 299.370 2.893 50 10 CFCAHM CCN(CC)Cc1c([O-])ccc2c(=O)c(Cl)coc21 ZINC000041510815 284735414 /nfs/dbraw/zinc/73/54/14/284735414.db2.gz GAEQCIQTJOQFJW-UHFFFAOYSA-N -1 3 281.739 2.994 50 10 CFCAHM CCN(C(=O)/C=C\c1cncc([O-])c1)c1ccccc1 ZINC000222094136 382800877 /nfs/dbraw/zinc/80/08/77/382800877.db2.gz ZNURZNHKEARDNC-HJWRWDBZSA-N -1 3 268.316 2.854 50 10 CFCAHM Cc1cc2c(c([O-])c1C)C(=O)c1ccccc1C2=O ZINC000003870520 393456077 /nfs/dbraw/zinc/45/60/77/393456077.db2.gz GARRKQYRNXWAAS-UHFFFAOYSA-N -1 3 252.269 2.784 50 10 CFCAHM CCO/C(C)=C1\C(C)=NN(c2nc3ccccc3[n-]2)C1=O ZINC000000118096 276424210 /nfs/dbraw/zinc/42/42/10/276424210.db2.gz CSMKFQXCAANAEG-JLHYYAGUSA-N -1 3 284.319 2.596 50 10 CFCAHM CC[C@H]1c2cccn2CCN1C(=O)c1cccc(O)c1[O-] ZINC000328587654 382550441 /nfs/dbraw/zinc/55/04/41/382550441.db2.gz DUQSWMHNKGRJHO-LBPRGKRZSA-N -1 3 286.331 2.506 50 10 CFCAHM CC[C@@H]1c2cccn2CCN1C(=O)c1cccc(O)c1[O-] ZINC000328587653 287372825 /nfs/dbraw/zinc/37/28/25/287372825.db2.gz DUQSWMHNKGRJHO-GFCCVEGCSA-N -1 3 286.331 2.506 50 10 CFCAHM [O-]c1ccccc1C1=NN[C@@H](c2ccc(F)cc2)C1 ZINC000025575297 275061717 /nfs/dbraw/zinc/06/17/17/275061717.db2.gz XXUGSHBLOSJZGX-CYBMUJFWSA-N -1 3 256.280 2.970 50 10 CFCAHM [O-]c1ccccc1C1=NN[C@@H](c2ccccc2F)C1 ZINC000004897926 326812728 /nfs/dbraw/zinc/81/27/28/326812728.db2.gz XMDMAAGFWYQMJD-CYBMUJFWSA-N -1 3 256.280 2.970 50 10 CFCAHM C[C@H](CNC(=O)c1ccc([O-])c(O)c1)c1ccsc1 ZINC000097235358 347707815 /nfs/dbraw/zinc/70/78/15/347707815.db2.gz SYZYKYHXQVIHNB-SECBINFHSA-N -1 3 277.345 2.693 50 10 CFCAHM O=C(c1cccc(O)c1[O-])N1CCC[C@@H]1c1ccco1 ZINC000193074138 189635011 /nfs/dbraw/zinc/63/50/11/189635011.db2.gz SBCFISXCNSMCCS-LLVKDONJSA-N -1 3 273.288 2.668 50 10 CFCAHM COc1ccc(C2=NN[C@H](c3ccccc3)C2)c([O-])c1 ZINC000000348700 371592237 /nfs/dbraw/zinc/59/22/37/371592237.db2.gz JGHLMHJQDFMBTP-AWEZNQCLSA-N -1 3 268.316 2.840 50 10 CFCAHM CCCCS(=O)(=O)Nc1ccc([O-])c(Cl)c1 ZINC000011691675 371925547 /nfs/dbraw/zinc/92/55/47/371925547.db2.gz RFGMZFARTFRPSL-UHFFFAOYSA-N -1 3 263.746 2.587 50 10 CFCAHM O=c1cc(-c2cc(O)c([O-])c(O)c2)oc2ccccc12 ZINC000014807381 372074553 /nfs/dbraw/zinc/07/45/53/372074553.db2.gz YKIGTAPSUMVDNX-UHFFFAOYSA-N -1 3 270.240 2.577 50 10 CFCAHM CSC1=N[C@H](c2c([O-])ccc3ccccc32)CN=N1 ZINC000005919083 170155366 /nfs/dbraw/zinc/15/53/66/170155366.db2.gz PENGGJJBWJIDSP-NSHDSACASA-N -1 3 271.345 2.895 50 10 CFCAHM Cc1ccc([O-])c(C(N)(C(F)(F)F)C(F)(F)F)c1 ZINC000022228658 171380222 /nfs/dbraw/zinc/38/02/22/171380222.db2.gz UWVRKLRVFFGGIO-UHFFFAOYSA-N -1 3 273.176 2.979 50 10 CFCAHM COc1cc([C@H]2CC(c3ccccc3[O-])=NN2)ccc1O ZINC000022242027 171382123 /nfs/dbraw/zinc/38/21/23/171382123.db2.gz WZHXRNQJIFOYSQ-GFCCVEGCSA-N -1 3 284.315 2.545 50 10 CFCAHM CN(C(=O)c1cccc(O)c1[O-])[C@@H]1CCc2ccccc21 ZINC000192962765 335329448 /nfs/dbraw/zinc/32/94/48/335329448.db2.gz RCOTVRIAVOIIAK-CQSZACIVSA-N -1 3 283.327 2.857 50 10 CFCAHM CN(C)c1ccc(CNCc2ccc(C(=O)[O-])cc2)cc1 ZINC000006871516 529782269 /nfs/dbraw/zinc/78/22/69/529782269.db2.gz ZDBLJBFKAALYMV-UHFFFAOYSA-N -1 3 284.359 2.741 50 10 CFCAHM CSC1=NC(C)(C)C[C@@](C)(c2ccc(O)cc2[O-])N1 ZINC000000033343 371512103 /nfs/dbraw/zinc/51/21/03/371512103.db2.gz QIRYTGXNZFLQTI-AWEZNQCLSA-N -1 3 280.393 2.804 50 10 CFCAHM [O-]c1cc(Br)c(Br)cc1O ZINC000000254871 371569886 /nfs/dbraw/zinc/56/98/86/371569886.db2.gz IOZHUUKIHMKXRG-UHFFFAOYSA-N -1 3 267.904 2.623 50 10 CFCAHM Cc1ccccc1CC(=O)c1ccc([O-])c(O)c1O ZINC000000611440 371643398 /nfs/dbraw/zinc/64/33/98/371643398.db2.gz PFLOTEASKXXCRL-UHFFFAOYSA-N -1 3 258.273 2.537 50 10 CFCAHM Cc1ccc2oc(-c3ccc([O-])c(O)c3)c(O)c(=O)c2c1 ZINC000072194126 176337120 /nfs/dbraw/zinc/33/71/20/176337120.db2.gz SGJBBZJXMHBECV-UHFFFAOYSA-N -1 3 284.267 2.885 50 10 CFCAHM [O-]c1ccccc1C1=NN[C@H](c2ccc(F)cc2)C1 ZINC000005717192 326816842 /nfs/dbraw/zinc/81/68/42/326816842.db2.gz XXUGSHBLOSJZGX-ZDUSSCGKSA-N -1 3 256.280 2.970 50 10 CFCAHM CC[C@H](N[C@H](CO)c1ccco1)c1ccccc1[O-] ZINC000156135867 347993126 /nfs/dbraw/zinc/99/31/26/347993126.db2.gz MAYSEHOUWFJMRY-QWHCGFSZSA-N -1 3 261.321 2.760 50 10 CFCAHM Cc1cc([N-]S(=O)(=O)c2ccccc2)cc(C)c1O ZINC000000036973 371514077 /nfs/dbraw/zinc/51/40/77/371514077.db2.gz XVOYGDNHJYJIEY-UHFFFAOYSA-N -1 3 277.345 2.810 50 10 CFCAHM COc1ccc([C@@H]2CC(c3ccccc3[O-])=NN2)cc1OC ZINC000000378872 371600195 /nfs/dbraw/zinc/60/01/95/371600195.db2.gz DDJHAHKEGGBFSH-ZDUSSCGKSA-N -1 3 298.342 2.848 50 10 CFCAHM CC[C@H]1CN(Cc2c([O-])ccc3ccncc32)CCO1 ZINC000027537822 372343287 /nfs/dbraw/zinc/34/32/87/372343287.db2.gz ITEKRGHJHCTCAE-ZDUSSCGKSA-N -1 3 272.348 2.551 50 10 CFCAHM CN(Cc1cccc2[nH]ccc21)C(=O)c1cccc(O)c1[O-] ZINC000408514630 397564768 /nfs/dbraw/zinc/56/47/68/397564768.db2.gz CHNPTSYKLVLRCX-UHFFFAOYSA-N -1 3 296.326 2.851 50 10 CFCAHM COc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C)cc1 ZINC000003292381 169876079 /nfs/dbraw/zinc/87/60/79/169876079.db2.gz YYODLFYHFRMKGF-UHFFFAOYSA-N -1 3 293.344 2.510 50 10 CFCAHM CCCc1c(C)c2ccc([O-])c(CN(C)C)c2oc1=O ZINC000005235514 170078625 /nfs/dbraw/zinc/07/86/25/170078625.db2.gz QOJKQPFJBNJHKE-UHFFFAOYSA-N -1 3 275.348 2.821 50 10 CFCAHM COC(=O)[C@H](NCc1cc(F)ccc1[O-])c1ccccc1 ZINC000154522909 188147964 /nfs/dbraw/zinc/14/79/64/188147964.db2.gz JBZLEMBQFZDBCM-OAHLLOKOSA-N -1 3 289.306 2.535 50 10 CFCAHM Cc1ccccc1S(=O)(=O)[N-]c1ccc(O)cc1C ZINC000000383765 371600140 /nfs/dbraw/zinc/60/01/40/371600140.db2.gz HRXWOLSNNBWOMR-UHFFFAOYSA-N -1 3 277.345 2.810 50 10 CFCAHM O=c1cc(-c2ccc([O-])c(O)c2)oc2ccccc12 ZINC000000057659 371520329 /nfs/dbraw/zinc/52/03/29/371520329.db2.gz SRNPMQHYWVKBAV-UHFFFAOYSA-N -1 3 254.241 2.871 50 10 aggregator,in-vitro CFCAHM O=C1CCCN1Cc1cc(Cl)c2cccnc2c1[O-] ZINC000000134548 371539637 /nfs/dbraw/zinc/53/96/37/371539637.db2.gz YWICHOLVOTVAMW-UHFFFAOYSA-N -1 3 276.723 2.716 50 10 CFCAHM O=C1[N-]C(=O)C(=Cc2ccc(N3CCCC3)c(F)c2)S1 ZINC000033286856 372489268 /nfs/dbraw/zinc/48/92/68/372489268.db2.gz CRSVSWFCJATEAO-WQLSENKSSA-N -1 3 292.335 2.750 50 10 CFCAHM Cn1cc(CN(Cc2ccco2)Cc2ccccc2[O-])cn1 ZINC000070975744 374209156 /nfs/dbraw/zinc/20/91/56/374209156.db2.gz SHOPHCCEUGBMHS-UHFFFAOYSA-N -1 3 297.358 2.921 50 10 CFCAHM CCc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2)cc1 ZINC000000380172 371599970 /nfs/dbraw/zinc/59/99/70/371599970.db2.gz IERBZJSXDFMRQN-UHFFFAOYSA-N -1 3 277.345 2.755 50 10 CFCAHM CN(C)c1ccc(/C=C2/c3ccccc3C(=O)[N-]C2=O)cc1 ZINC000012584692 276800302 /nfs/dbraw/zinc/80/03/02/276800302.db2.gz QAJMACCKRWOPBF-WJDWOHSUSA-N -1 3 292.338 2.563 50 10 CFCAHM O=c1oc(-c2ccc(O)c([O-])c2)cc2cccc(O)c12 ZINC000015112395 567836387 /nfs/dbraw/zinc/83/63/87/567836387.db2.gz WHZXJVJVGGWZQI-UHFFFAOYSA-N -1 3 270.240 2.577 50 10 biogenic,in-vitro CFCAHM CN(C)Cc1c([O-])c(Cl)cc2c3c(c(=O)oc21)CCC3 ZINC000020132353 282144146 /nfs/dbraw/zinc/14/41/46/282144146.db2.gz CQOFOEYEPCRLST-UHFFFAOYSA-N -1 3 293.750 2.702 50 10 CFCAHM COc1ccc([C@H]2CC(c3ccccc3[O-])=NN2)cc1 ZINC000000378869 371600881 /nfs/dbraw/zinc/60/08/81/371600881.db2.gz GVWZHAYQJIVQSO-CQSZACIVSA-N -1 3 268.316 2.840 50 10 CFCAHM C=CC(=O)N(CC)Cc1cc(Br)ccc1[O-] ZINC000521394074 256854966 /nfs/dbraw/zinc/85/49/66/256854966.db2.gz LHOAXBJHLFMMJM-UHFFFAOYSA-N -1 3 284.153 2.689 50 10 CFCAHM [O-]c1c(Cl)cc(Cl)cc1[C@@H]1NCCc2nc[nH]c21 ZINC000065406918 304844074 /nfs/dbraw/zinc/84/40/74/304844074.db2.gz JWJUHSACKSXFHV-JTQLQIEISA-N -1 3 284.146 2.657 50 10 CFCAHM [O-]c1cc(O)ccc1[C@@H]1NN=C(c2ccccc2)S1 ZINC000005682172 170128120 /nfs/dbraw/zinc/12/81/20/170128120.db2.gz YRIVYSDZDIREQD-CQSZACIVSA-N -1 3 272.329 2.795 50 10 CFCAHM COc1ccc(C2=NN[C@@H](c3ccccc3[O-])C2)cc1OC ZINC000072332565 176370529 /nfs/dbraw/zinc/37/05/29/176370529.db2.gz VMGDLRHVBDXJSL-CQSZACIVSA-N -1 3 298.342 2.848 50 10 CFCAHM Cc1c(C)c2cc(Cl)c([O-])c(CN(C)C)c2oc1=O ZINC000019911603 278594613 /nfs/dbraw/zinc/59/46/13/278594613.db2.gz CDCKEABDLGAAEC-UHFFFAOYSA-N -1 3 281.739 2.830 50 10 aggregator CFCAHM CN1C(=O)/C(=C\c2cc(Cl)ccc2[O-])SC1=S ZINC000004973996 289790358 /nfs/dbraw/zinc/79/03/58/289790358.db2.gz CPYVAMPSFBXPQA-WEVVVXLNSA-N -1 3 285.777 2.877 50 10 CFCAHM Cc1csc(-c2c[nH]nc2-c2ccc(O)c([O-])c2O)n1 ZINC000005317978 346211229 /nfs/dbraw/zinc/21/12/29/346211229.db2.gz GISUEDKSKYKZDR-UHFFFAOYSA-N -1 3 289.316 2.625 50 10 CFCAHM Cc1csc(-c2c[nH]nc2-c2ccc(O)c(O)c2[O-])n1 ZINC000005317978 346211233 /nfs/dbraw/zinc/21/12/33/346211233.db2.gz GISUEDKSKYKZDR-UHFFFAOYSA-N -1 3 289.316 2.625 50 10 CFCAHM O=C1N=C(N2CCCCC2)S/C1=C\c1ccccc1[O-] ZINC000012375280 371954898 /nfs/dbraw/zinc/95/48/98/371954898.db2.gz KTPHYICBZVGNPX-RAXLEYEMSA-N -1 3 288.372 2.848 50 10 CFCAHM Cc1cccc([C@H]2CCCN2C(=O)c2cccc(O)c2[O-])n1 ZINC000193137721 382716256 /nfs/dbraw/zinc/71/62/56/382716256.db2.gz MJZCWSUXXZFUML-CQSZACIVSA-N -1 3 298.342 2.779 50 10 CFCAHM C[C@@H](CNC(=O)c1ccc([O-])c(O)c1)c1cccs1 ZINC000097235348 347707579 /nfs/dbraw/zinc/70/75/79/347707579.db2.gz LPZBIJPNPZVBLY-VIFPVBQESA-N -1 3 277.345 2.693 50 10 CFCAHM COc1cc([N-]S(=O)(=O)c2ccc(C)cc2)ccc1O ZINC000000361243 371593897 /nfs/dbraw/zinc/59/38/97/371593897.db2.gz NSTWIJUACGHBIU-UHFFFAOYSA-N -1 3 293.344 2.510 50 10 CFCAHM Cc1cc([N-]S(=O)(=O)c2ccccc2)c(C)cc1O ZINC000003078361 371770644 /nfs/dbraw/zinc/77/06/44/371770644.db2.gz WSMPHQBAMWATTO-UHFFFAOYSA-N -1 3 277.345 2.810 50 10 CFCAHM [O-]c1cc(O)ccc1[C@@H]1NN=C(Cc2ccccc2)S1 ZINC000000275115 169594755 /nfs/dbraw/zinc/59/47/55/169594755.db2.gz JBWCCYWQBNSWSH-OAHLLOKOSA-N -1 3 286.356 2.989 50 10 CFCAHM O=C(c1cccc(O)c1[O-])N1CCC[C@H]1c1ccco1 ZINC000193074149 382715317 /nfs/dbraw/zinc/71/53/17/382715317.db2.gz SBCFISXCNSMCCS-NSHDSACASA-N -1 3 273.288 2.668 50 10 CFCAHM O=C(c1cc([O-])cs1)N1CCc2ccc(F)cc21 ZINC000102759828 543103307 /nfs/dbraw/zinc/10/33/07/543103307.db2.gz NXYBIIHWLNAYKF-UHFFFAOYSA-N -1 3 263.293 2.796 50 10 CFCAHM CC(C)(C)OC(=O)NCc1c([O-])ccc2ncccc21 ZINC000096034717 185068420 /nfs/dbraw/zinc/06/84/20/185068420.db2.gz WIMYXZYMVOZAQF-UHFFFAOYSA-N -1 3 274.320 2.965 50 10 CFCAHM CC(=O)N[C@H](c1ccco1)c1ccc2cccnc2c1[O-] ZINC000000102566 371531544 /nfs/dbraw/zinc/53/15/44/371531544.db2.gz HEZNTDQCEKDWGC-HNNXBMFYSA-N -1 3 282.299 2.759 50 10 CFCAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(O)c(C)c2)cc1 ZINC000000193449 371555127 /nfs/dbraw/zinc/55/51/27/371555127.db2.gz MULDDNZSRDGSQX-UHFFFAOYSA-N -1 3 277.345 2.810 50 10 CFCAHM Cc1c(C)c([N-]S(=O)(=O)c2ccccc2)ccc1O ZINC000000267134 371572955 /nfs/dbraw/zinc/57/29/55/371572955.db2.gz HVMIMYQWERMEDB-UHFFFAOYSA-N -1 3 277.345 2.810 50 10 CFCAHM COc1ccc([C@H]2CC(c3ccccc3[O-])=NN2)cc1OC ZINC000000378871 371600861 /nfs/dbraw/zinc/60/08/61/371600861.db2.gz DDJHAHKEGGBFSH-CYBMUJFWSA-N -1 3 298.342 2.848 50 10 CFCAHM O=C1N=C(Nc2cccnc2)SC1=Cc1ccc([O-])cc1 ZINC000005660183 170124872 /nfs/dbraw/zinc/12/48/72/170124872.db2.gz PLZPUYIPBJNITH-MDWZMJQESA-N -1 3 297.339 2.870 50 10 CFCAHM Cc1cccc([C@@H]2CCCN2C(=O)c2cccc(O)c2[O-])n1 ZINC000193137710 382716328 /nfs/dbraw/zinc/71/63/28/382716328.db2.gz MJZCWSUXXZFUML-AWEZNQCLSA-N -1 3 298.342 2.779 50 10 CFCAHM NC(=O)c1ccc(NCc2cc(Cl)ccc2[O-])cc1 ZINC000019911539 372207716 /nfs/dbraw/zinc/20/77/16/372207716.db2.gz GCNUTPZJAZRBMR-UHFFFAOYSA-N -1 3 276.723 2.757 50 10 CFCAHM Cc1ccc(NC(=O)c2cc(O)c([O-])c(O)c2)cc1C ZINC000032922273 372476345 /nfs/dbraw/zinc/47/63/45/372476345.db2.gz JNVGYJQKUDJHLP-UHFFFAOYSA-N -1 3 273.288 2.673 50 10 CFCAHM O=C(NCc1nccc2ccccc21)c1cccc(O)c1[O-] ZINC000192933303 393637495 /nfs/dbraw/zinc/63/74/95/393637495.db2.gz MEBHEGNQVCTRSF-UHFFFAOYSA-N -1 3 294.310 2.576 50 10 CFCAHM [O-]c1cc(O)ccc1[C@H]1NN=C(Cc2ccccc2)S1 ZINC000000275119 371575332 /nfs/dbraw/zinc/57/53/32/371575332.db2.gz JBWCCYWQBNSWSH-HNNXBMFYSA-N -1 3 286.356 2.989 50 10 CFCAHM CN(C)c1ccc(C=C2OC(=S)[N-]C2=S)cc1 ZINC000013757552 372048311 /nfs/dbraw/zinc/04/83/11/372048311.db2.gz ILHPWNRSMANFEJ-JXMROGBWSA-N -1 3 264.375 2.737 50 10 CFCAHM C[C@H](CNC(=O)c1ccc([O-])c(O)c1)c1cccs1 ZINC000097235349 347707951 /nfs/dbraw/zinc/70/79/51/347707951.db2.gz LPZBIJPNPZVBLY-SECBINFHSA-N -1 3 277.345 2.693 50 10 CFCAHM COc1ccccc1[C@@H]1CC(c2cc(F)ccc2[O-])=NN1 ZINC000000552912 371638193 /nfs/dbraw/zinc/63/81/93/371638193.db2.gz WVENHQIHNLWYFN-ZDUSSCGKSA-N -1 3 286.306 2.979 50 10 CFCAHM Cc1[n-][nH]c(=O)c1C=Nc1cc(Cl)cc(Cl)c1 ZINC000013399398 372026397 /nfs/dbraw/zinc/02/63/97/372026397.db2.gz IGUVTDJNAMEDTF-YHYXMXQVSA-N -1 3 270.119 2.795 50 10 CFCAHM COc1ccc([C@@H]2CC(c3ccccc3[O-])=NN2C=O)cc1 ZINC000066091592 373911918 /nfs/dbraw/zinc/91/19/18/373911918.db2.gz RHTITGVOEOXIQJ-INIZCTEOSA-N -1 3 296.326 2.708 50 10 CFCAHM CN(C)Cc1c([O-])ccc2c3ccccc3c(=O)oc21 ZINC000013512637 282144208 /nfs/dbraw/zinc/14/42/08/282144208.db2.gz NIMMKNPEOVVIMO-UHFFFAOYSA-N -1 3 269.300 2.713 50 10 CFCAHM CC[C@H](N[C@@H](CO)c1ccco1)c1ccccc1[O-] ZINC000156135649 347992729 /nfs/dbraw/zinc/99/27/29/347992729.db2.gz MAYSEHOUWFJMRY-STQMWFEESA-N -1 3 261.321 2.760 50 10 CFCAHM COc1ccc(NC(=O)c2cc([O-])cs2)cc1F ZINC000685939480 540020706 /nfs/dbraw/zinc/02/07/06/540020706.db2.gz YGCPLKFOIWILBV-UHFFFAOYSA-N -1 3 267.281 2.854 50 10 CFCAHM CN(C[C@@H]1CC=CCC1)C(=O)c1cccc(O)c1[O-] ZINC000239667638 540731159 /nfs/dbraw/zinc/73/11/59/540731159.db2.gz BQXPWTRGSUVUOE-LLVKDONJSA-N -1 3 261.321 2.526 50 10 CFCAHM CN(C[C@H]1CC=CCC1)C(=O)c1cccc(O)c1[O-] ZINC000239667639 540731452 /nfs/dbraw/zinc/73/14/52/540731452.db2.gz BQXPWTRGSUVUOE-NSHDSACASA-N -1 3 261.321 2.526 50 10 CFCAHM COc1ccc(C2=NN[C@@H](c3ccccc3F)C2)c([O-])c1 ZINC000000462697 371621776 /nfs/dbraw/zinc/62/17/76/371621776.db2.gz RTDJHOYAMZBQOC-CQSZACIVSA-N -1 3 286.306 2.979 50 10 CFCAHM Cc1cc(S(=O)(=O)[N-]c2ccc(O)cc2C)ccc1F ZINC000041091243 372814112 /nfs/dbraw/zinc/81/41/12/372814112.db2.gz ZSGQFBLXYJXSHY-UHFFFAOYSA-N -1 3 295.335 2.949 50 10 CFCAHM O=C1N=C(N2CCCCC2)S/C1=C\c1ccc([O-])cc1 ZINC000012586838 296354693 /nfs/dbraw/zinc/35/46/93/296354693.db2.gz QGFIQSBGUAYOSQ-RAXLEYEMSA-N -1 3 288.372 2.848 50 10 CFCAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2)c(C)c1 ZINC000000380167 371600312 /nfs/dbraw/zinc/60/03/12/371600312.db2.gz TXWWCSYIOUOHMN-UHFFFAOYSA-N -1 3 277.345 2.810 50 10 CFCAHM COc1ccc([C@@H]2CC(c3ccc(OC)cc3[O-])=NN2)cc1 ZINC000000378877 371600555 /nfs/dbraw/zinc/60/05/55/371600555.db2.gz FGLBJVVPLTVNAD-HNNXBMFYSA-N -1 3 298.342 2.848 50 10 CFCAHM CCCc1cc(=O)oc2c1ccc([O-])c2CN(C)C ZINC000000489144 371629837 /nfs/dbraw/zinc/62/98/37/371629837.db2.gz NLNXDAFYJKVSNA-UHFFFAOYSA-N -1 3 261.321 2.513 50 10 CFCAHM CCCCS(=O)(=O)Nc1cc(Cl)c([O-])cc1C ZINC000011691676 371924266 /nfs/dbraw/zinc/92/42/66/371924266.db2.gz DXNLFYGGIUGDBH-UHFFFAOYSA-N -1 3 277.773 2.896 50 10 CFCAHM CC1=C(C(=O)NCc2ccc3cccnc3c2[O-])CCCO1 ZINC000521396410 383294366 /nfs/dbraw/zinc/29/43/66/383294366.db2.gz VIPQNOQLBXQBTB-UHFFFAOYSA-N -1 3 298.342 2.641 50 10 CFCAHM O=C1N[C@H](c2cc(Cl)ccc2[O-])Nc2ccccc21 ZINC000012537275 393475769 /nfs/dbraw/zinc/47/57/69/393475769.db2.gz HLEDWQZXCJNHFP-CYBMUJFWSA-N -1 3 274.707 2.900 50 10 CFCAHM O=C(Nc1ccc(Cn2cccn2)cc1)c1cc([O-])cs1 ZINC000101072963 397593125 /nfs/dbraw/zinc/59/31/25/397593125.db2.gz IMKAFFWLFGVDOL-UHFFFAOYSA-N -1 3 299.355 2.951 50 10 CFCAHM [O-]c1ccc2oc3c(c2c1CN1CCOCC1)CCCC3 ZINC000032855934 275061478 /nfs/dbraw/zinc/06/14/78/275061478.db2.gz WGQRQNIGMSPTJH-UHFFFAOYSA-N -1 3 287.359 2.849 50 10 CFCAHM Cc1cc(C)[n-]c(=NNC(=S)Nc2ccccc2C)n1 ZINC000003257353 280465301 /nfs/dbraw/zinc/46/53/01/280465301.db2.gz WCZZPFOXGDITTH-UHFFFAOYSA-N -1 3 287.392 2.715 50 10 CFCAHM CC[C@@H](N[C@H](CO)c1ccco1)c1ccccc1[O-] ZINC000156135996 347992969 /nfs/dbraw/zinc/99/29/69/347992969.db2.gz MAYSEHOUWFJMRY-CHWSQXEVSA-N -1 3 261.321 2.760 50 10 CFCAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2)cc1 ZINC000000134044 371538260 /nfs/dbraw/zinc/53/82/60/371538260.db2.gz GMOBYFRCKHKXDW-UHFFFAOYSA-N -1 3 263.318 2.501 50 10 CFCAHM COc1ccc([C@H]2CC(c3ccc(OC)cc3[O-])=NN2)cc1 ZINC000000378876 371600612 /nfs/dbraw/zinc/60/06/12/371600612.db2.gz FGLBJVVPLTVNAD-OAHLLOKOSA-N -1 3 298.342 2.848 50 10 CFCAHM CC[C@@H]1CN(Cc2c([O-])ccc3ccncc32)CCO1 ZINC000027537821 372343900 /nfs/dbraw/zinc/34/39/00/372343900.db2.gz ITEKRGHJHCTCAE-CYBMUJFWSA-N -1 3 272.348 2.551 50 10 CFCAHM CCOC(=O)c1[n-]c2ccccc2c1/N=N/N(C)C ZINC000100210315 375615907 /nfs/dbraw/zinc/61/59/07/375615907.db2.gz DMDLMTDOGVTQTA-FOCLMDBBSA-N -1 3 260.297 2.905 50 10 CFCAHM COc1ccccc1[C@H]1CC(c2cc(F)ccc2[O-])=NN1 ZINC000000552911 169667376 /nfs/dbraw/zinc/66/73/76/169667376.db2.gz WVENHQIHNLWYFN-CYBMUJFWSA-N -1 3 286.306 2.979 50 10 CFCAHM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)c2ccccc2)c1 ZINC000000619881 371647129 /nfs/dbraw/zinc/64/71/29/371647129.db2.gz HTPJXSROCRDZLB-UHFFFAOYSA-N -1 3 289.356 2.598 50 10 CFCAHM [O-]c1ccc(-c2ccccc2)cc1CN1CCOCC1 ZINC000019313380 372154571 /nfs/dbraw/zinc/15/45/71/372154571.db2.gz PHJXERQRCZRIMZ-UHFFFAOYSA-N -1 3 269.344 2.891 50 10 CFCAHM O=C(Cc1ccccc1Cl)c1ccc([O-])c(O)c1O ZINC000004755035 170012216 /nfs/dbraw/zinc/01/22/16/170012216.db2.gz RTQSMISQMYUEGP-UHFFFAOYSA-N -1 3 278.691 2.882 50 10 CFCAHM CCc1cc(=O)oc2c1ccc([O-])c2CNCc1ccco1 ZINC000009134082 170364402 /nfs/dbraw/zinc/36/44/02/170364402.db2.gz VNZBGDOWOIHRGM-UHFFFAOYSA-N -1 3 299.326 2.944 50 10 CFCAHM Cc1cc(N=Nc2c[nH]c(=O)[n-]c2=O)c2ccccc2c1N ZINC000071771134 176262379 /nfs/dbraw/zinc/26/23/79/176262379.db2.gz RAPZJQUYGNCGJK-FMQUCBEESA-N -1 3 295.302 2.522 50 10 CFCAHM