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-]c1cc(Cl)c([O-])cc1Cl)c1ccoc1 ZINC001188610638 1099792086 /nfs/dbraw/zinc/79/20/86/1099792086.db2.gz WEGJISUMZBFOCQ-UHFFFAOYSA-N -2 3 308.142 3.093 20 10 DGCDHL C[C@@H](NCc1cccc(Cl)c1[O-])c1ncc(C(=O)[O-])s1 ZINC001604346567 1193067360 /nfs/dbraw/zinc/06/73/60/1193067360.db2.gz KJDUSMHZWMFZEL-SSDOTTSWSA-N -2 3 312.778 3.051 20 10 DGCDHL [O-]c1c(CNc2ccc(=S)[n-]n2)cc(Cl)c2cccnc12 ZINC001168521662 1088525784 /nfs/dbraw/zinc/52/57/84/1088525784.db2.gz FXRYSLWJZWJZLL-UHFFFAOYSA-N -2 3 318.789 3.285 20 10 DGCDHL O=S(=O)([N-]c1cc(F)c([O-])c(F)c1)c1ccccc1Cl ZINC001256311138 1106404183 /nfs/dbraw/zinc/40/41/83/1106404183.db2.gz AIOCXUSISVMZIL-UHFFFAOYSA-N -2 3 319.716 3.125 20 10 DGCDHL O=C([O-])CCC1CCN(Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000854240718 620787307 /nfs/dbraw/zinc/78/73/07/620787307.db2.gz DRPGSLGERGPJDZ-UHFFFAOYSA-N -2 3 315.772 3.262 20 10 DGCDHL O=C([O-])c1cccc2c1CN(Cc1cccc(Cl)c1[O-])CC2 ZINC001602459820 1192981835 /nfs/dbraw/zinc/98/18/35/1192981835.db2.gz FDSYSSDHAKPKGH-UHFFFAOYSA-N -2 3 317.772 3.302 20 10 DGCDHL O=C([O-])c1cc2cccnc2c(NCc2cccc(F)c2[O-])c1 ZINC001608857181 1193308333 /nfs/dbraw/zinc/30/83/33/1193308333.db2.gz QFBOUBQKJQKQFT-UHFFFAOYSA-N -2 3 312.300 3.390 20 10 DGCDHL CCc1ccc(S(=O)(=O)[N-]c2cc(F)c([O-])cc2F)cc1 ZINC001255081216 1106174958 /nfs/dbraw/zinc/17/49/58/1106174958.db2.gz PIAHGUSKFLVTNL-UHFFFAOYSA-N -2 3 313.325 3.034 20 10 DGCDHL Cc1ccc(S(=O)(=O)[N-]c2cc(F)c([O-])cc2F)cc1C ZINC001259167727 1107091379 /nfs/dbraw/zinc/09/13/79/1107091379.db2.gz GIVIHUJRUHLHSE-UHFFFAOYSA-N -2 3 313.325 3.088 20 10 DGCDHL O=S(=O)([N-]c1ccc([O-])c(F)c1)c1cc(Cl)ccc1F ZINC001259457832 1107139231 /nfs/dbraw/zinc/13/92/31/1107139231.db2.gz FYRHIYIGUYRFSA-UHFFFAOYSA-N -2 3 319.716 3.125 20 10 DGCDHL Cc1cccc(S(=O)(=O)[N-]c2cc(Cl)c([O-])cc2F)c1 ZINC000808114964 626794461 /nfs/dbraw/zinc/79/44/61/626794461.db2.gz JGGMPYKIQBMCGZ-UHFFFAOYSA-N -2 3 315.753 3.294 20 10 DGCDHL O=C([O-])/C=C/c1ccc(CNCc2cccc(Cl)c2[O-])o1 ZINC001601878914 1192949435 /nfs/dbraw/zinc/94/94/35/1192949435.db2.gz KPGIFVBCVSRUIC-VOTSOKGWSA-N -2 3 307.733 3.026 20 10 DGCDHL O=S(=O)([N-]c1ccc([O-])c(F)c1)c1ccc2ccccc2c1 ZINC000200213149 1181615388 /nfs/dbraw/zinc/61/53/88/1181615388.db2.gz JSOBJOOYCMPTDY-UHFFFAOYSA-N -2 3 317.341 3.485 20 10 DGCDHL O=C(NCc1cccc(Cl)c1[O-])c1ccc(Cl)c([O-])c1 ZINC001305085201 1111193208 /nfs/dbraw/zinc/19/32/08/1111193208.db2.gz SKMIOMSKPPNHEJ-UHFFFAOYSA-N -2 3 312.152 3.335 20 10 DGCDHL O=S(=O)([N-]c1cc(Cl)c([O-])cc1F)C1=CCCCC1 ZINC000295189995 335131006 /nfs/dbraw/zinc/13/10/06/335131006.db2.gz KUMRBYGHBOBJBB-UHFFFAOYSA-N -2 3 305.758 3.384 20 10 DGCDHL O=C1[N-]C(=S)S/C1=C\c1cc(Cl)c([O-])cc1Cl ZINC000759034624 621820281 /nfs/dbraw/zinc/82/02/81/621820281.db2.gz JEORNAIOAUBYFF-WAPJZHGLSA-N -2 3 306.195 3.188 20 10 DGCDHL O=C([O-])CN(C/C(Cl)=C/Cl)Cc1cc(Cl)ccc1[O-] ZINC000833247477 629574025 /nfs/dbraw/zinc/57/40/25/629574025.db2.gz KEELFVJOHPUYQK-WMZJFQQLSA-N -2 3 324.591 3.251 20 10 DGCDHL Cc1oc(CN(C)Cc2c([O-])cccc2Cl)cc1C(=O)[O-] ZINC001608046131 1193275645 /nfs/dbraw/zinc/27/56/45/1193275645.db2.gz OGGSYDBVOMXTJA-UHFFFAOYSA-N -2 3 309.749 3.277 20 10 DGCDHL CC[C@H](C)Oc1cc([O-])cc2oc3cc([O-])c(O)cc3c(=O)c12 ZINC001234748939 1098660051 /nfs/dbraw/zinc/66/00/51/1098660051.db2.gz OASPIOMDZXIYQQ-QMMMGPOBSA-N -2 3 316.309 3.240 20 10 DGCDHL O=S(=O)([N-]c1ccc([O-])c(F)c1)c1cccc(Cl)c1F ZINC001259468936 1107143126 /nfs/dbraw/zinc/14/31/26/1107143126.db2.gz DSKJTVHIFPCVGB-UHFFFAOYSA-N -2 3 319.716 3.125 20 10 DGCDHL Cc1cc(S(=O)(=O)[N-]c2ccc([O-])cc2F)sc1C ZINC000758169352 621762930 /nfs/dbraw/zinc/76/29/30/621762930.db2.gz PXHVPUSHLCWNLL-UHFFFAOYSA-N -2 3 301.364 3.010 20 10 DGCDHL O=C([O-])CCc1ccc(NCc2cc(F)c(F)cc2[O-])cc1 ZINC001602041055 1192956268 /nfs/dbraw/zinc/95/62/68/1192956268.db2.gz SJFQEKWLBUKWQV-UHFFFAOYSA-N -2 3 307.296 3.300 20 10 DGCDHL O=S(=O)([N-]c1ccc([O-])c(F)c1F)c1ccccc1Cl ZINC001256306565 1106402633 /nfs/dbraw/zinc/40/26/33/1106402633.db2.gz FTCYQNAGUVDHGT-UHFFFAOYSA-N -2 3 319.716 3.125 20 10 DGCDHL O=S(=O)([N-]c1cc(F)c([O-])cc1F)c1ccccc1Cl ZINC001256315894 1106404784 /nfs/dbraw/zinc/40/47/84/1106404784.db2.gz GOANWEDREQNFOK-UHFFFAOYSA-N -2 3 319.716 3.125 20 10 DGCDHL O=C([O-])CN(Cc1cc2oc3ccccc3c2cc1[O-])C1CC1 ZINC000738607717 574874980 /nfs/dbraw/zinc/87/49/80/574874980.db2.gz QOAGMIAKYXZWQQ-UHFFFAOYSA-N -2 3 311.337 3.341 20 10 DGCDHL O=S(=O)([N-]c1ccc([O-])c(Cl)c1)c1cccc(Cl)c1 ZINC000085204587 660381311 /nfs/dbraw/zinc/38/13/11/660381311.db2.gz OCKHJHQVXBQBER-UHFFFAOYSA-N -2 3 318.181 3.500 20 10 DGCDHL Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)c([O-])cc2F)cc1 ZINC000170264801 659211978 /nfs/dbraw/zinc/21/19/78/659211978.db2.gz NPIFJJMDURIVEW-UHFFFAOYSA-N -2 3 315.753 3.294 20 10 DGCDHL Cc1cc(S(=O)(=O)[N-]c2ccc([O-])cc2F)sc1Cl ZINC000231809135 659401543 /nfs/dbraw/zinc/40/15/43/659401543.db2.gz BFAZCILSFVAHAE-UHFFFAOYSA-N -2 3 321.782 3.355 20 10 DGCDHL O=C([O-])/C=C\c1ccc(CNCc2cccc(Cl)c2[O-])o1 ZINC001601878913 1192949397 /nfs/dbraw/zinc/94/93/97/1192949397.db2.gz KPGIFVBCVSRUIC-SREVYHEPSA-N -2 3 307.733 3.026 20 10 DGCDHL Cc1cc(NCc2c([O-])cccc2F)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001607696283 1193249118 /nfs/dbraw/zinc/24/91/18/1193249118.db2.gz YTZQFQNYHSELLV-UHFFFAOYSA-N -2 3 320.276 3.058 20 10 DGCDHL C[C@@H](N[C@@H](C)c1ncc(C(=O)[O-])s1)c1c([O-])cccc1F ZINC001593194872 994141848 /nfs/dbraw/zinc/14/18/48/994141848.db2.gz AIVNDPZWMLTJSR-SFYZADRCSA-N -2 3 310.350 3.098 20 10 DGCDHL COc1cc(NCc2c([O-])cccc2Cl)ccc1C(=O)[O-] ZINC001599443719 997972507 /nfs/dbraw/zinc/97/25/07/997972507.db2.gz GCGCUAANADOULD-UHFFFAOYSA-N -2 3 307.733 3.365 20 10 DGCDHL COc1cc(C(=O)[O-])ccc1NCc1ccc(Cl)cc1[O-] ZINC001599375446 998478336 /nfs/dbraw/zinc/47/83/36/998478336.db2.gz XTOJKUIQCFBRKE-UHFFFAOYSA-N -2 3 307.733 3.365 20 10 DGCDHL O=C([O-])CN(Cc1cc(Cl)ccc1[O-])Cc1ccccc1F ZINC000739793147 574912264 /nfs/dbraw/zinc/91/22/64/574912264.db2.gz AXEVCOIIAKREFC-UHFFFAOYSA-N -2 3 323.751 3.272 20 10 DGCDHL O=C(NCc1cc(Cl)cc(Cl)c1[O-])c1ccccc1[O-] ZINC000807837617 626771021 /nfs/dbraw/zinc/77/10/21/626771021.db2.gz XXKYWRPDHLGCMT-UHFFFAOYSA-N -2 3 312.152 3.335 20 10 DGCDHL O=C([O-])[C@@H]1CCN(Cc2cc(F)c(F)cc2[O-])c2ccccc21 ZINC001594933668 954841080 /nfs/dbraw/zinc/84/10/80/954841080.db2.gz FAVFJGAGRRWUKL-GFCCVEGCSA-N -2 3 319.307 3.249 20 10 DGCDHL CC[C@@H](C)Oc1cc([O-])cc2oc3cc([O-])c(O)cc3c(=O)c12 ZINC001234748938 1098660040 /nfs/dbraw/zinc/66/00/40/1098660040.db2.gz OASPIOMDZXIYQQ-MRVPVSSYSA-N -2 3 316.309 3.240 20 10 DGCDHL O=C(NCc1cccc(Cl)c1[O-])c1cc(Cl)ccc1[O-] ZINC001180409602 1099411889 /nfs/dbraw/zinc/41/18/89/1099411889.db2.gz DXIXRNHYBQZACK-UHFFFAOYSA-N -2 3 312.152 3.335 20 10 DGCDHL O=S(=O)([N-]c1ccc([O-])c(F)c1F)c1ccc(Cl)cc1 ZINC001251733105 1105688139 /nfs/dbraw/zinc/68/81/39/1105688139.db2.gz VSFKNFUKXICDAD-UHFFFAOYSA-N -2 3 319.716 3.125 20 10 DGCDHL Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc([O-])c(F)c2F)c1 ZINC001254772413 1106140079 /nfs/dbraw/zinc/14/00/79/1106140079.db2.gz UOQRWXNSACLIFP-UHFFFAOYSA-N -2 3 313.325 3.088 20 10 DGCDHL Cc1cccc(S(=O)(=O)[N-]c2cc(F)c([O-])cc2F)c1C ZINC001260999415 1107341328 /nfs/dbraw/zinc/34/13/28/1107341328.db2.gz UMIIFXJIQHBQQR-UHFFFAOYSA-N -2 3 313.325 3.088 20 10 DGCDHL Cc1ccc(C(=O)Nc2cc(F)cc(Cl)c2[O-])c([O-])c1O ZINC000771505906 622769981 /nfs/dbraw/zinc/76/99/81/622769981.db2.gz QGELWVSNXRFZAQ-UHFFFAOYSA-N -2 3 311.696 3.157 20 10 DGCDHL O=C([O-])CN(Cc1cccs1)Cc1cc(Cl)ccc1[O-] ZINC001608748193 1193302598 /nfs/dbraw/zinc/30/25/98/1193302598.db2.gz XRKSVURZORHOCG-UHFFFAOYSA-N -2 3 311.790 3.194 20 10 DGCDHL O=C(Nc1ccc2[n-]c(=S)sc2c1)c1cccc(O)c1[O-] ZINC001148218682 1096328503 /nfs/dbraw/zinc/32/85/03/1096328503.db2.gz GNUUVFUEVSFMQA-UHFFFAOYSA-N -2 3 318.379 3.249 20 10 DGCDHL C[C@@H](Cc1ccc(NCc2cccc(F)c2[O-])cc1)C(=O)[O-] ZINC001592877380 979744818 /nfs/dbraw/zinc/74/48/18/979744818.db2.gz LANPVKAXTWTYPI-NSHDSACASA-N -2 3 303.333 3.407 20 10 DGCDHL C[C@H](NC(=O)[O-])c1ccc(NC(=O)c2cc([O-])cs2)cc1 ZINC000825442392 628762121 /nfs/dbraw/zinc/76/21/21/628762121.db2.gz FPZJFKFAVKFVDD-QMMMGPOBSA-N -2 3 306.343 3.035 20 10 DGCDHL O=C([O-])CN(C/C(Cl)=C\Cl)Cc1cc(Cl)ccc1[O-] ZINC000833247466 629574139 /nfs/dbraw/zinc/57/41/39/629574139.db2.gz KEELFVJOHPUYQK-ONNFQVAWSA-N -2 3 324.591 3.251 20 10 DGCDHL O=S(=O)([N-]c1ccc([O-])cc1F)c1ccc(Cl)s1 ZINC000085203947 660380881 /nfs/dbraw/zinc/38/08/81/660380881.db2.gz YMCVSSBRSXKECX-UHFFFAOYSA-N -2 3 307.755 3.047 20 10 DGCDHL Cc1ccc(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)cc1C ZINC000070333929 655606410 /nfs/dbraw/zinc/60/64/10/655606410.db2.gz CPQZCMINMUFMNR-UHFFFAOYSA-N -2 3 311.790 3.463 20 10 DGCDHL O=C([O-])c1ccc(Cl)c(CNCc2c([O-])cccc2F)c1 ZINC001602361353 1192974743 /nfs/dbraw/zinc/97/47/43/1192974743.db2.gz RUWJNEHQLQDJEE-UHFFFAOYSA-N -2 3 309.724 3.173 20 10 DGCDHL O=C([O-])c1c[nH]c2cc(NCc3cc(F)c(F)cc3[O-])ccc12 ZINC001608832368 1193306327 /nfs/dbraw/zinc/30/63/27/1193306327.db2.gz MYUAMRQSANOCBF-UHFFFAOYSA-N -2 3 318.279 3.462 20 10 DGCDHL O=C([O-])c1ccc2c(c1)CN(Cc1c([O-])ccc3ccncc31)C2 ZINC000740202003 574928534 /nfs/dbraw/zinc/92/85/34/574928534.db2.gz GWEIYMZFXXOGQU-UHFFFAOYSA-N -2 3 320.348 3.154 20 10 DGCDHL O=C([O-])c1ccc2c(c1)CN(Cc1cc(Cl)ccc1[O-])C2 ZINC001602421673 1192978691 /nfs/dbraw/zinc/97/86/91/1192978691.db2.gz JMEKUJRHVNCERC-UHFFFAOYSA-N -2 3 303.745 3.260 20 10 DGCDHL Cc1ccc(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)c([O-])c1O ZINC001607734211 1193251337 /nfs/dbraw/zinc/25/13/37/1193251337.db2.gz QOFURDCDYCPNFG-UHFFFAOYSA-N -2 3 321.716 3.010 20 10 DGCDHL Cc1ccccc1S(=O)(=O)[N-]c1cc(Cl)c([O-])cc1F ZINC000808114445 626794280 /nfs/dbraw/zinc/79/42/80/626794280.db2.gz YRSTVYQZHCMSBT-UHFFFAOYSA-N -2 3 315.753 3.294 20 10 DGCDHL O=S(=O)([N-]c1cc(F)c([O-])cc1F)c1cccc(Cl)c1 ZINC001256795328 1106484763 /nfs/dbraw/zinc/48/47/63/1106484763.db2.gz CUCVWEARRAEDGT-UHFFFAOYSA-N -2 3 319.716 3.125 20 10 DGCDHL Cc1cc(C)cc(S(=O)(=O)[N-]c2cc(F)c([O-])cc2F)c1 ZINC001259524404 1107159921 /nfs/dbraw/zinc/15/99/21/1107159921.db2.gz QERZQWLPLCNFEW-UHFFFAOYSA-N -2 3 313.325 3.088 20 10 DGCDHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc([O-])cc2F)s1 ZINC000312100313 656098553 /nfs/dbraw/zinc/09/85/53/656098553.db2.gz UFIGNZSXMMAGDV-UHFFFAOYSA-N -2 3 301.364 3.010 20 10 DGCDHL O=S(=O)([N-]c1ccc([O-])c(Cl)c1)c1ccc(F)c(F)c1 ZINC000070333907 660052712 /nfs/dbraw/zinc/05/27/12/660052712.db2.gz WKKGBFHYIQQJEH-UHFFFAOYSA-N -2 3 319.716 3.125 20 10 DGCDHL O=C([O-])c1ccc2c(c1)CCN2Cc1ccc(Cl)cc1[O-] ZINC001602419218 1192977904 /nfs/dbraw/zinc/97/79/04/1192977904.db2.gz TXABZZDJRPXHPF-UHFFFAOYSA-N -2 3 303.745 3.307 20 10 DGCDHL Cc1cc([O-])c(CNC(C)(C)c2nocc2C(=O)[O-])cc1Cl ZINC001607700121 1193249910 /nfs/dbraw/zinc/24/99/10/1193249910.db2.gz UIYYPVKTSAKQPK-UHFFFAOYSA-N -2 3 324.764 3.065 20 10 DGCDHL Cc1occc1CN(CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC001610588564 1193400026 /nfs/dbraw/zinc/40/00/26/1193400026.db2.gz UAPUTUFNPCAIRJ-UHFFFAOYSA-N -2 3 309.749 3.034 20 10 DGCDHL C[C@@H](N[C@H](C)c1c([O-])cccc1F)c1ncc(C(=O)[O-])s1 ZINC001593194869 994141299 /nfs/dbraw/zinc/14/12/99/994141299.db2.gz AIVNDPZWMLTJSR-HTQZYQBOSA-N -2 3 310.350 3.098 20 10 DGCDHL Cc1ccc(C)c(S(=O)(=O)[N-]c2cc(F)c([O-])cc2F)c1 ZINC001254794390 1106142368 /nfs/dbraw/zinc/14/23/68/1106142368.db2.gz RUXXDQQWBUPXCF-UHFFFAOYSA-N -2 3 313.325 3.088 20 10 DGCDHL Cc1ccc(S(=O)(=O)[N-]c2cc(F)c([O-])cc2F)c(C)c1 ZINC001259101147 1107080068 /nfs/dbraw/zinc/08/00/68/1107080068.db2.gz RGSBGLKKUJVZAA-UHFFFAOYSA-N -2 3 313.325 3.088 20 10 DGCDHL O=C(Nc1cc(Cl)c([O-])c(Cl)c1)c1cccc(O)c1[O-] ZINC000126577421 623935138 /nfs/dbraw/zinc/93/51/38/623935138.db2.gz JTVMKGANCGMARF-UHFFFAOYSA-N -2 3 314.124 3.363 20 10 DGCDHL O=S(=O)([N-]c1cc(Cl)c([O-])cc1F)c1ccc(F)cc1 ZINC000170265720 659212121 /nfs/dbraw/zinc/21/21/21/659212121.db2.gz DCORIJXJUIPYRH-UHFFFAOYSA-N -2 3 319.716 3.125 20 10 DGCDHL Cc1cc(CNCc2cc(Cl)cc(F)c2[O-])oc1C(=O)[O-] ZINC001600209397 1192809277 /nfs/dbraw/zinc/80/92/77/1192809277.db2.gz LBXUDWOHTLWTQR-UHFFFAOYSA-N -2 3 313.712 3.074 20 10 DGCDHL O=C([O-])[C@@H]1C[C@H]1c1ccc(NCc2cccc(F)c2[O-])cc1 ZINC001608814613 1193305114 /nfs/dbraw/zinc/30/51/14/1193305114.db2.gz OOFYVXQNGKCMPV-UONOGXRCSA-N -2 3 301.317 3.332 20 10 DGCDHL C[C@@H](NCc1ccc(Cl)c(C(=O)[O-])n1)c1c([O-])cccc1F ZINC001593299772 994723954 /nfs/dbraw/zinc/72/39/54/994723954.db2.gz VRNYQCPPYJPQFN-MRVPVSSYSA-N -2 3 324.739 3.129 20 10 DGCDHL O=S(=O)([N-]c1ccc([O-])c(F)c1)c1ccc(Cl)cc1F ZINC001259511082 1107152913 /nfs/dbraw/zinc/15/29/13/1107152913.db2.gz ASAQVJYMTZAQFM-UHFFFAOYSA-N -2 3 319.716 3.125 20 10 DGCDHL Cc1ccc(CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])o1 ZINC001600410953 1192848488 /nfs/dbraw/zinc/84/84/88/1192848488.db2.gz SLZKPUKBYXZOBO-UHFFFAOYSA-N -2 3 309.749 3.034 20 10 DGCDHL O=C([O-])[C@H]1CCN(Cc2cc(F)c(F)cc2[O-])c2ccccc21 ZINC001594933669 954840883 /nfs/dbraw/zinc/84/08/83/954840883.db2.gz FAVFJGAGRRWUKL-LBPRGKRZSA-N -2 3 319.307 3.249 20 10 DGCDHL CC(C)(C)CCS(=O)(=O)[N-]c1cc(Cl)c([O-])cc1F ZINC000290535040 433082941 /nfs/dbraw/zinc/08/29/41/433082941.db2.gz OQHQGBLTSAONOO-UHFFFAOYSA-N -2 3 309.790 3.363 20 10 DGCDHL O=S(=O)([N-]c1cc(Cl)c([O-])cc1F)c1cccc(F)c1 ZINC000808113514 626794384 /nfs/dbraw/zinc/79/43/84/626794384.db2.gz BQXARUGKNKSSGV-UHFFFAOYSA-N -2 3 319.716 3.125 20 10 DGCDHL O=S(=O)([N-]c1ccc([O-])cc1F)c1cc2ccccc2o1 ZINC000758170145 621762985 /nfs/dbraw/zinc/76/29/85/621762985.db2.gz ITCIFGXGSGWFLN-UHFFFAOYSA-N -2 3 307.302 3.078 20 10 DGCDHL Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc([O-])c(Cl)c1 ZINC000070270450 660047564 /nfs/dbraw/zinc/04/75/64/660047564.db2.gz TVTGFORTWAFDAX-UHFFFAOYSA-N -2 3 315.753 3.294 20 10 DGCDHL CCc1oc(CNCc2cccc(Cl)c2[O-])cc1C(=O)[O-] ZINC001597805345 989414270 /nfs/dbraw/zinc/41/42/70/989414270.db2.gz GAKXNVIZOCHWBL-UHFFFAOYSA-N -2 3 309.749 3.189 20 10 DGCDHL O=C(Nc1c(Cl)ccc([O-])c1Cl)c1cccc(O)c1[O-] ZINC001148218680 1096328467 /nfs/dbraw/zinc/32/84/67/1096328467.db2.gz GNBCSTLFZKDVEX-UHFFFAOYSA-N -2 3 314.124 3.363 20 10 DGCDHL O=C([O-])[C@H](NCc1c([O-])ccc(Cl)c1F)c1cccs1 ZINC000756336857 621628846 /nfs/dbraw/zinc/62/88/46/621628846.db2.gz BAQBLKFPMCQPEW-GFCCVEGCSA-N -2 3 315.753 3.162 20 10 DGCDHL Cc1ccc(C(=O)Nc2ccc3[n-]c(=S)oc3c2)c([O-])c1O ZINC000182811800 656108624 /nfs/dbraw/zinc/10/86/24/656108624.db2.gz OYZTZWVFERJVBP-UHFFFAOYSA-N -2 3 316.338 3.088 20 10 DGCDHL O=C([O-])c1ccc2c(c1)CN(Cc1cccc(Cl)c1[O-])CC2 ZINC001602421683 1192978804 /nfs/dbraw/zinc/97/88/04/1192978804.db2.gz KFSCDNLGNYKAAO-UHFFFAOYSA-N -2 3 317.772 3.302 20 10 DGCDHL Cc1coc(CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])c1 ZINC001607922124 1193268561 /nfs/dbraw/zinc/26/85/61/1193268561.db2.gz UMJZLVMOQKBNJX-UHFFFAOYSA-N -2 3 309.749 3.034 20 10 DGCDHL O=C([O-])[C@@H]1Cc2ccccc2N(Cc2ccc(Cl)cc2[O-])C1 ZINC001608654728 1193298194 /nfs/dbraw/zinc/29/81/94/1193298194.db2.gz MEYBXFLIVYICQI-CYBMUJFWSA-N -2 3 317.772 3.309 20 10 DGCDHL C[C@H](NCc1ccc(Cl)c(C(=O)[O-])n1)c1c([O-])cccc1F ZINC001593299773 994723677 /nfs/dbraw/zinc/72/36/77/994723677.db2.gz VRNYQCPPYJPQFN-QMMMGPOBSA-N -2 3 324.739 3.129 20 10 DGCDHL O=C([O-])CN(CC=C(Cl)Cl)Cc1cc(Cl)ccc1[O-] ZINC001608744329 1193302294 /nfs/dbraw/zinc/30/22/94/1193302294.db2.gz ANHDCJTWTBGOPV-UHFFFAOYSA-N -2 3 324.591 3.251 20 10 DGCDHL O=S(=O)([N-]c1cc(F)c([O-])cc1F)c1ccc(Cl)cc1 ZINC001251738149 1105689435 /nfs/dbraw/zinc/68/94/35/1105689435.db2.gz CRTGYZNCXATMAE-UHFFFAOYSA-N -2 3 319.716 3.125 20 10 DGCDHL Cc1cc(C)cc(S(=O)(=O)[N-]c2ccc([O-])c(F)c2F)c1 ZINC001259521985 1107158370 /nfs/dbraw/zinc/15/83/70/1107158370.db2.gz BXNQLQHFLKUFHV-UHFFFAOYSA-N -2 3 313.325 3.088 20 10 DGCDHL O=C(NCc1cccc(Cl)c1[O-])c1ccc(Cl)cc1[O-] ZINC001180409884 1099411594 /nfs/dbraw/zinc/41/15/94/1099411594.db2.gz HPIIXUBYEDZSKM-UHFFFAOYSA-N -2 3 312.152 3.335 20 10 DGCDHL C[C@@H](NC(=O)[O-])c1ccc(NC(=O)c2cc([O-])cs2)cc1 ZINC000825442391 628762176 /nfs/dbraw/zinc/76/21/76/628762176.db2.gz FPZJFKFAVKFVDD-MRVPVSSYSA-N -2 3 306.343 3.035 20 10 DGCDHL CCc1ccc(CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])o1 ZINC000833669295 629638185 /nfs/dbraw/zinc/63/81/85/629638185.db2.gz DQVGPJDFWIMXAI-UHFFFAOYSA-N -2 3 323.776 3.288 20 10 DGCDHL Cc1cccc(Cl)c1S(=O)(=O)[N-]c1ccc([O-])c(F)c1 ZINC001195308317 1101119037 /nfs/dbraw/zinc/11/90/37/1101119037.db2.gz KVFADAZRJGWPDS-UHFFFAOYSA-N -2 3 315.753 3.294 20 10 DGCDHL Cc1ccc(C(=O)Nc2cc(Cl)c([O-])cc2F)c([O-])c1O ZINC000805258451 622098008 /nfs/dbraw/zinc/09/80/08/622098008.db2.gz HOCBKEDZWDOULP-UHFFFAOYSA-N -2 3 311.696 3.157 20 10 DGCDHL O=S(=O)([N-]c1ccc([O-])c(Cl)c1)c1ccc2c(c1)CCC2 ZINC000070333944 660052720 /nfs/dbraw/zinc/05/27/20/660052720.db2.gz RDTZDWGYKCEWDB-UHFFFAOYSA-N -2 3 323.801 3.335 20 10 DGCDHL O=S(=O)([N-]c1ccc([O-])c(F)c1)c1ccc(Cl)s1 ZINC000085201005 1177471582 /nfs/dbraw/zinc/47/15/82/1177471582.db2.gz XWENEUBQPSVKNR-UHFFFAOYSA-N -2 3 307.755 3.047 20 10 DGCDHL Cc1cccc(C)c1S(=O)(=O)[N-]c1ccc([O-])c(Cl)c1 ZINC001194638089 1100978891 /nfs/dbraw/zinc/97/88/91/1100978891.db2.gz HTCIUJZUTUMGNV-UHFFFAOYSA-N -2 3 311.790 3.463 20 10 DGCDHL O=S(=O)([N-]c1ccc([O-])c(F)c1)c1ccc2occc2c1 ZINC001198861217 1102007961 /nfs/dbraw/zinc/00/79/61/1102007961.db2.gz HWWHQUGKWQRYIC-UHFFFAOYSA-N -2 3 307.302 3.078 20 10 DGCDHL O=C([O-])CSCc1cccc(NC(=O)c2cc([O-])cs2)c1 ZINC000739871905 574913933 /nfs/dbraw/zinc/91/39/33/574913933.db2.gz RYTTUUHNVHOCGS-UHFFFAOYSA-N -2 3 323.395 3.024 20 10 DGCDHL O=C([O-])c1ccc(CNCc2cc(Cl)cc(Cl)c2[O-])o1 ZINC000740132307 576090696 /nfs/dbraw/zinc/09/06/96/576090696.db2.gz KCIZCKRGWBXKLG-UHFFFAOYSA-N -2 3 316.140 3.280 20 10 DGCDHL C[C@H](N[C@@H](C)c1c([O-])cccc1F)c1ncc(C(=O)[O-])s1 ZINC001593194873 994141718 /nfs/dbraw/zinc/14/17/18/994141718.db2.gz AIVNDPZWMLTJSR-YUMQZZPRSA-N -2 3 310.350 3.098 20 10 DGCDHL O=C(NCc1cccc(Cl)c1[O-])c1c([O-])cccc1Cl ZINC001180409865 1099411822 /nfs/dbraw/zinc/41/18/22/1099411822.db2.gz HENKWZCJVULNEW-UHFFFAOYSA-N -2 3 312.152 3.335 20 10 DGCDHL CC(C)OCc1cc([N-]S(=O)(=O)c2ccccc2)ccc1[O-] ZINC000290564175 433098063 /nfs/dbraw/zinc/09/80/63/433098063.db2.gz SGNGHKHTDZVQMN-UHFFFAOYSA-N -2 3 321.398 3.118 20 10 DGCDHL Cc1ccc(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)c([O-])c1O ZINC001600342917 1192833439 /nfs/dbraw/zinc/83/34/39/1192833439.db2.gz GMKPXSWEMYSCKK-UHFFFAOYSA-N -2 3 321.716 3.010 20 10 DGCDHL C[C@H](Cc1ccc(NCc2cccc(F)c2[O-])cc1)C(=O)[O-] ZINC001592877379 979744131 /nfs/dbraw/zinc/74/41/31/979744131.db2.gz LANPVKAXTWTYPI-LLVKDONJSA-N -2 3 303.333 3.407 20 10 DGCDHL O=C([O-])[C@H](OC(=O)c1cc([O-])cs1)c1cccc(Cl)c1 ZINC000740293053 574931363 /nfs/dbraw/zinc/93/13/63/574931363.db2.gz TUWAJPFPSNOIJY-LLVKDONJSA-N -2 3 312.730 3.090 20 10 DGCDHL Cc1ccc(C(=O)Nc2cc(NC(=O)[O-])ccc2C)c([O-])c1O ZINC000833906514 629659587 /nfs/dbraw/zinc/65/95/87/629659587.db2.gz UBZPYFDRQNGJNO-UHFFFAOYSA-N -2 3 316.313 3.057 20 10 DGCDHL O=C(Nc1cc(Cl)cc(Cl)c1[O-])c1cccc(O)c1[O-] ZINC000229417001 659258222 /nfs/dbraw/zinc/25/82/22/659258222.db2.gz COUFCIWYDJNMKE-UHFFFAOYSA-N -2 3 314.124 3.363 20 10 DGCDHL O=c1ccn(-c2ccc(NCc3cc(F)cc(F)c3[O-])cc2)[n-]1 ZINC001658393897 1196250593 /nfs/dbraw/zinc/25/05/93/1196250593.db2.gz CASZHOGLMJCPEJ-UHFFFAOYSA-N -2 3 317.295 3.174 20 10 DGCDHL Cc1cc([O-])c2c(c1)C(=O)c1cc([O-])cc(OC3CCC3)c1C2=O ZINC001227993882 1097027460 /nfs/dbraw/zinc/02/74/60/1097027460.db2.gz GZJMFDJWZOAMEZ-UHFFFAOYSA-N -2 3 324.332 3.113 20 10 DGCDHL O=S(=O)([N-]c1ccc([O-])c(F)c1F)c1cccc(Cl)c1 ZINC001256784662 1106482720 /nfs/dbraw/zinc/48/27/20/1106482720.db2.gz AETAOQKQLLTJLJ-UHFFFAOYSA-N -2 3 319.716 3.125 20 10 DGCDHL O=S(=O)([N-]c1ccc([O-])c(F)c1)c1ccc(F)cc1Cl ZINC001258915898 1107057016 /nfs/dbraw/zinc/05/70/16/1107057016.db2.gz QRNLVIPTKNYRMU-UHFFFAOYSA-N -2 3 319.716 3.125 20 10 DGCDHL O=C([O-])[C@@H](NCc1c([O-])ccc(Cl)c1F)c1cccs1 ZINC000756336858 621628650 /nfs/dbraw/zinc/62/86/50/621628650.db2.gz BAQBLKFPMCQPEW-LBPRGKRZSA-N -2 3 315.753 3.162 20 10 DGCDHL C=Cc1ccc(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)cc1 ZINC000821190976 628344398 /nfs/dbraw/zinc/34/43/98/628344398.db2.gz IVWMDOXWEBAGGL-UHFFFAOYSA-N -2 3 309.774 3.489 20 10 DGCDHL O=C([O-])[C@H]1Cc2ccccc2N(Cc2ccc(Cl)cc2[O-])C1 ZINC001608654733 1193298017 /nfs/dbraw/zinc/29/80/17/1193298017.db2.gz MEYBXFLIVYICQI-ZDUSSCGKSA-N -2 3 317.772 3.309 20 10 DGCDHL O=C([O-])CN(Cc1ccsc1)Cc1cc(Cl)ccc1[O-] ZINC001610781440 1193408362 /nfs/dbraw/zinc/40/83/62/1193408362.db2.gz BELLTOMFBUYAGY-UHFFFAOYSA-N -2 3 311.790 3.194 20 10 DGCDHL Cc1cccc(C)c1S(=O)(=O)[N-]c1cc(F)c([O-])cc1F ZINC001194642411 1100980149 /nfs/dbraw/zinc/98/01/49/1100980149.db2.gz DZKZPVLMYRYZQK-UHFFFAOYSA-N -2 3 313.325 3.088 20 10 DGCDHL O=S(=O)([N-]c1ccc([O-])c(F)c1)c1cccc2ccccc21 ZINC000389560172 1108656289 /nfs/dbraw/zinc/65/62/89/1108656289.db2.gz BFYVBPRGUFGWMC-UHFFFAOYSA-N -2 3 317.341 3.485 20 10 DGCDHL C[C@H](NCc1cccc(Cl)c1[O-])c1ncc(C(=O)[O-])s1 ZINC001604346568 1193067894 /nfs/dbraw/zinc/06/78/94/1193067894.db2.gz KJDUSMHZWMFZEL-ZETCQYMHSA-N -2 3 312.778 3.051 20 10 DGCDHL C[C@@H](N[C@@H](C)c1c([O-])cccc1F)c1ncc(C(=O)[O-])s1 ZINC001593194870 994141427 /nfs/dbraw/zinc/14/14/27/994141427.db2.gz AIVNDPZWMLTJSR-JGVFFNPUSA-N -2 3 310.350 3.098 20 10 DGCDHL Cc1cccc(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)c1C ZINC001260998140 1107337479 /nfs/dbraw/zinc/33/74/79/1107337479.db2.gz MCSKWBRIJSDCOK-UHFFFAOYSA-N -2 3 311.790 3.463 20 10 DGCDHL O=C([O-])[C@@H](OC(=O)c1cc([O-])cs1)c1cccc(Cl)c1 ZINC000740293056 574931302 /nfs/dbraw/zinc/93/13/02/574931302.db2.gz TUWAJPFPSNOIJY-NSHDSACASA-N -2 3 312.730 3.090 20 10 DGCDHL Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc([O-])c(Cl)c1 ZINC000070333918 660052682 /nfs/dbraw/zinc/05/26/82/660052682.db2.gz FVSIWRQXPXVENM-UHFFFAOYSA-N -2 3 315.753 3.294 20 10 DGCDHL Cc1cccc(S(=O)(=O)[N-]c2ccc([O-])c(F)c2F)c1C ZINC001260997581 1107337936 /nfs/dbraw/zinc/33/79/36/1107337936.db2.gz BYDKRVVFZCPFEZ-UHFFFAOYSA-N -2 3 313.325 3.088 20 10 DGCDHL O=C([O-])c1coc(CNCc2cc(Cl)cc(Cl)c2[O-])c1 ZINC000756305897 620942957 /nfs/dbraw/zinc/94/29/57/620942957.db2.gz CRXQNSAWDMIKAF-UHFFFAOYSA-N -2 3 316.140 3.280 20 10 DGCDHL Cc1oc(CN(C)Cc2cccc(Cl)c2[O-])cc1C(=O)[O-] ZINC001600843896 1192903799 /nfs/dbraw/zinc/90/37/99/1192903799.db2.gz YWCLRERCNAUKAU-UHFFFAOYSA-N -2 3 309.749 3.277 20 10 DGCDHL