smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(=O)[nH]c([C@@H](C)[N@H+]2CCC[C@@H](Oc3ccccc3Cl)C2)n1 ZINC000447890787 1030569874 /nfs/dbraw/zinc/56/98/74/1030569874.db2.gz ZSFUJZGIUGKGPG-ZIAGYGMSSA-N -1 2 347.846 3.748 20 0 EHADLM Cc1cc(F)cc(C)c1S(=O)(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000430385771 1016592319 /nfs/dbraw/zinc/59/23/19/1016592319.db2.gz JKDLWVADNQUTAU-UHFFFAOYSA-N -1 2 345.399 3.633 20 0 EHADLM O=c1ccn(-c2ccc(Nc3ccc(Cn4cc[nH+]c4)cc3)cc2)[nH]1 ZINC001212699848 1131934435 /nfs/dbraw/zinc/93/44/35/1131934435.db2.gz HIKCJFAPFBNCOK-UHFFFAOYSA-N -1 2 331.379 3.566 20 0 EHADLM CCc1c(Cl)cc(NS(=O)(=O)CC2CCC2)c([O-])c1Cl ZINC001193515679 1135150009 /nfs/dbraw/zinc/15/00/09/1135150009.db2.gz SUHWFNIGKQMEGI-UHFFFAOYSA-N -1 2 338.256 3.803 20 0 EHADLM CCc1cc(=O)[nH]c(C[N@H+](C)Cc2oc3c(cccc3C)c2C)n1 ZINC001195790646 1135469631 /nfs/dbraw/zinc/46/96/31/1135469631.db2.gz UXIIEGCFXVLZKT-UHFFFAOYSA-N -1 2 325.412 3.740 20 0 EHADLM O=C([O-])CCN(C(=O)c1cccc(F)c1Cl)c1cccc(F)c1 ZINC000833231777 600975293 /nfs/dbraw/zinc/97/52/93/600975293.db2.gz XQRZJAWWFAKTIS-UHFFFAOYSA-N -1 2 339.725 3.740 20 0 EHADLM CC[C@@H](C(=O)[O-])N(C(=O)c1cccc(Cl)c1O)c1ccccc1 ZINC001594771217 981746614 /nfs/dbraw/zinc/74/66/14/981746614.db2.gz RWJKMIRGUCABFE-AWEZNQCLSA-N -1 2 333.771 3.556 20 0 EHADLM Cc1ccc(-c2cc(C(=O)Nc3cccc(O)c3F)[nH]n2)c(C)c1 ZINC000187398434 1037333496 /nfs/dbraw/zinc/33/34/96/1037333496.db2.gz FATNLEMQLUZWLJ-UHFFFAOYSA-N -1 2 325.343 3.791 20 0 EHADLM Cc1ccc(S(=O)(=O)Nc2cc3ccccc3cc2C(=O)[O-])s1 ZINC000013087540 207285270 /nfs/dbraw/zinc/28/52/70/207285270.db2.gz SHCJOTJJOUGIFN-UHFFFAOYSA-N -1 2 347.417 3.709 20 0 EHADLM Cc1cc(NS(=O)(=O)c2ccc(C(C)C)cc2)sc1C(=O)[O-] ZINC000314493325 599874949 /nfs/dbraw/zinc/87/49/49/599874949.db2.gz PFBULTAMDFBGHY-UHFFFAOYSA-N -1 2 339.438 3.679 20 0 EHADLM CC(C)(C)c1ccc(S(=O)(=O)Nc2sccc2C(=O)[O-])cc1 ZINC000833449064 605204232 /nfs/dbraw/zinc/20/42/32/605204232.db2.gz GHXQSGPKKFSVLU-UHFFFAOYSA-N -1 2 339.438 3.545 20 0 EHADLM CC(C)(C)c1ccccc1S(=O)(=O)Nc1ccc(C(=O)[O-])s1 ZINC000833449071 605301902 /nfs/dbraw/zinc/30/19/02/605301902.db2.gz GRJUHURITLXRJH-UHFFFAOYSA-N -1 2 339.438 3.545 20 0 EHADLM Cc1c(O)ccc2c(C[N@@H+](C)Cc3ccc(F)cc3F)cc(=O)oc12 ZINC000073893987 1021080014 /nfs/dbraw/zinc/08/00/14/1021080014.db2.gz YFPSJIXJTUYMTD-UHFFFAOYSA-N -1 2 345.345 3.717 20 0 EHADLM CCCC[C@@H](CC)COCCCNc1ccc([P@@](=O)([O-])O)cc1 ZINC001168117131 1034003187 /nfs/dbraw/zinc/00/31/87/1034003187.db2.gz PKANWTQBZOPIDO-OAHLLOKOSA-N -1 2 343.404 3.525 20 0 EHADLM CCCC[C@@H](CC)COCCCNc1ccc([P@](=O)([O-])O)cc1 ZINC001168117131 1034003200 /nfs/dbraw/zinc/00/32/00/1034003200.db2.gz PKANWTQBZOPIDO-OAHLLOKOSA-N -1 2 343.404 3.525 20 0 EHADLM Cc1c(C(=O)[O-])csc1NS(=O)(=O)c1ccc(Cl)cc1C ZINC000833744761 605128195 /nfs/dbraw/zinc/12/81/95/605128195.db2.gz OEBAXOIXXIQMAY-UHFFFAOYSA-N -1 2 345.829 3.517 20 0 EHADLM Oc1ccccc1-c1nnc(C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2)o1 ZINC000877914933 1137695395 /nfs/dbraw/zinc/69/53/95/1137695395.db2.gz KKYVZUZJVYMSKA-MRXNPFEDSA-N -1 2 339.370 3.918 20 0 EHADLM Cc1oc(C)c(S(=O)(=O)Nc2ccc3ccccc3c2)c1C(=O)[O-] ZINC000323862975 971048527 /nfs/dbraw/zinc/04/85/27/971048527.db2.gz GHUIZINKZCABAR-UHFFFAOYSA-N -1 2 345.376 3.549 20 0 EHADLM O=C([O-])c1cnc(N(C(=O)c2cccc3ccccc32)C2CC2)s1 ZINC000833337752 600975197 /nfs/dbraw/zinc/97/51/97/600975197.db2.gz IZUYVMUANIOULX-UHFFFAOYSA-N -1 2 338.388 3.804 20 0 EHADLM O=C([O-])Cc1cccc(NC(=O)c2c(O)cc(Cl)cc2Cl)c1 ZINC000833268055 602144948 /nfs/dbraw/zinc/14/49/48/602144948.db2.gz CHRHWYJWLVZVFH-UHFFFAOYSA-N -1 2 340.162 3.578 20 0 EHADLM Cc1cc(S(=O)(=O)Nc2ccc(C)c(C(=O)[O-])c2)sc1Cl ZINC000231807050 960206658 /nfs/dbraw/zinc/20/66/58/960206658.db2.gz JAIUFZBQJWAOJY-UHFFFAOYSA-N -1 2 345.829 3.517 20 0 EHADLM CC(C)Oc1ccc(NC(=O)c2cccc(Cl)c2O)c(C(=O)[O-])c1 ZINC001591787793 975964015 /nfs/dbraw/zinc/96/40/15/975964015.db2.gz BTETZGHUNCSQJH-UHFFFAOYSA-N -1 2 349.770 3.783 20 0 EHADLM COC(=O)[C@](C)(Cc1ccc(O)cc1)Nc1cc([S-])cc(S)c1 ZINC001168083584 1028718363 /nfs/dbraw/zinc/71/83/63/1028718363.db2.gz FXOHPCWLPOFODS-KRWDZBQOSA-N -1 2 349.477 3.556 20 0 EHADLM O=Cc1ccc(-c2ccc([O-])c(C(=O)Nc3cccc(F)c3O)c2)o1 ZINC001171637168 1137504183 /nfs/dbraw/zinc/50/41/83/1137504183.db2.gz LMVJUBWUHWIRHS-UHFFFAOYSA-N -1 2 341.294 3.562 20 0 EHADLM Cc1sc(NS(=O)(=O)c2ccc(Cl)cc2)c(C(=O)[O-])c1C ZINC000833758493 605022663 /nfs/dbraw/zinc/02/26/63/605022663.db2.gz ZVUFSYFXRXWTAL-UHFFFAOYSA-N -1 2 345.829 3.517 20 0 EHADLM CC[C@@H](CNC(=O)c1cc(-c2ccccc2)cc(Cl)c1O)C(=O)[O-] ZINC001589549192 955208655 /nfs/dbraw/zinc/20/86/55/955208655.db2.gz JCHQLLPYFHQPEW-NSHDSACASA-N -1 2 347.798 3.553 20 0 EHADLM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC001599956796 985701914 /nfs/dbraw/zinc/70/19/14/985701914.db2.gz SCRNLNDFUUIDKV-UHFFFAOYSA-N -1 2 343.166 3.594 20 0 EHADLM Oc1ccc(F)c(C[NH2+]Cc2ccc(Br)c(F)c2)c1F ZINC000510324436 1019239366 /nfs/dbraw/zinc/23/93/66/1019239366.db2.gz DNESPIVYLNVCJY-UHFFFAOYSA-N -1 2 346.146 3.862 20 0 EHADLM Cc1cc(C)c(S(=O)(=O)Nc2cccc(Cl)c2C(=O)[O-])s1 ZINC000314683971 1026096163 /nfs/dbraw/zinc/09/61/63/1026096163.db2.gz FANJBWFFWWLMBL-UHFFFAOYSA-N -1 2 345.829 3.517 20 0 EHADLM COC(=O)[C@H](CCc1ccccc1)Nc1cc([S-])cc(S)c1 ZINC001170172986 1134704697 /nfs/dbraw/zinc/70/46/97/1134704697.db2.gz KGHCQROKAKHVOD-INIZCTEOSA-N -1 2 333.478 3.850 20 0 EHADLM Cc1ccsc1S(=O)(=O)Nc1ccc(C(C)C)cc1C(=O)[O-] ZINC000738798398 600892708 /nfs/dbraw/zinc/89/27/08/600892708.db2.gz JTASZGGUMBGIQO-UHFFFAOYSA-N -1 2 339.438 3.679 20 0 EHADLM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000008908343 956887627 /nfs/dbraw/zinc/88/76/27/956887627.db2.gz CJNYBNLQFYAINL-DTWKUNHWSA-N -1 2 332.183 3.529 20 0 EHADLM O=C(Nc1cc(Cl)c(O)c(Cl)c1)c1s[n-]c(=O)c1Cl ZINC000555579634 1040851307 /nfs/dbraw/zinc/85/13/07/1040851307.db2.gz NQPCFJUSILGEEK-UHFFFAOYSA-N -1 2 339.587 3.767 20 0 EHADLM Cc1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(C)c2)sc1Cl ZINC000188446916 959506721 /nfs/dbraw/zinc/50/67/21/959506721.db2.gz FBBDMTICYNTGFZ-UHFFFAOYSA-N -1 2 345.829 3.517 20 0 EHADLM CCN(C(=O)c1cc(-c2ccccc2)cc(Cl)c1O)[C@@H](C)C(=O)[O-] ZINC001603715463 974136094 /nfs/dbraw/zinc/13/60/94/974136094.db2.gz MVYUOPFDABIIQY-NSHDSACASA-N -1 2 347.798 3.648 20 0 EHADLM COC(=O)[C@@](C)(Cc1ccc(O)cc1)Nc1cc([S-])cc(S)c1 ZINC001168083585 1028716527 /nfs/dbraw/zinc/71/65/27/1028716527.db2.gz FXOHPCWLPOFODS-QGZVFWFLSA-N -1 2 349.477 3.556 20 0 EHADLM CC[C@@]1(C)CCC[N@H+](Cc2nc3c4ccccc4oc3c(=O)[nH]2)C1 ZINC000072802608 1128737636 /nfs/dbraw/zinc/73/76/36/1128737636.db2.gz VEONZDAYBBGQEB-IBGZPJMESA-N -1 2 325.412 3.681 20 0 EHADLM Cc1noc(C2CC2)c1C(=O)Nc1nc(-c2ccccc2Cl)n[nH]1 ZINC000132900097 1137871608 /nfs/dbraw/zinc/87/16/08/1137871608.db2.gz CAVFQQJUXVNYRG-UHFFFAOYSA-N -1 2 343.774 3.551 20 0 EHADLM C[C@@H](CN(C)C(=O)c1cc(-c2ccccc2)cc(Cl)c1O)C(=O)[O-] ZINC000827436921 601387619 /nfs/dbraw/zinc/38/76/19/601387619.db2.gz LZVDXZOCMGYDKG-NSHDSACASA-N -1 2 347.798 3.505 20 0 EHADLM Cc1cc(C)c(S(=O)(=O)Nc2cc(Cl)ccc2C(=O)[O-])s1 ZINC000314765094 963806451 /nfs/dbraw/zinc/80/64/51/963806451.db2.gz OGEOJAODKIEWLE-UHFFFAOYSA-N -1 2 345.829 3.517 20 0 EHADLM Oc1ccccc1-c1nnc(C[NH+]2CCC(CC(F)(F)F)CC2)o1 ZINC000878574850 1137720815 /nfs/dbraw/zinc/72/08/15/1137720815.db2.gz UAZLVGFDKQUERD-UHFFFAOYSA-N -1 2 341.333 3.607 20 0 EHADLM C[C@@H](CS(=O)(=O)[N-]c1cc(F)cc(Cl)c1O)c1ccccc1 ZINC000387892742 1038679021 /nfs/dbraw/zinc/67/90/21/1038679021.db2.gz OKYPFJLBDQXUMJ-JTQLQIEISA-N -1 2 343.807 3.730 20 0 EHADLM COc1ccc(C[NH2+]Cc2cccc(O)c2Br)cc1F ZINC001177161667 1133036863 /nfs/dbraw/zinc/03/68/63/1133036863.db2.gz DTZHSIIFWUXCFH-UHFFFAOYSA-N -1 2 340.192 3.592 20 0 EHADLM Cc1[nH+]ccn1-c1ncccc1NC(=O)c1ccc(C(C)C)cc1O ZINC000769707168 1133333024 /nfs/dbraw/zinc/33/30/24/1133333024.db2.gz YBIZPQLNYPHYRH-UHFFFAOYSA-N -1 2 336.395 3.657 20 0 EHADLM CCN(CCC(=O)[O-])C(=O)c1cc(-c2ccccc2)cc(Cl)c1O ZINC000829701771 604287749 /nfs/dbraw/zinc/28/77/49/604287749.db2.gz OUMFSOYLAVJOAF-UHFFFAOYSA-N -1 2 347.798 3.649 20 0 EHADLM Cc1c(C(=O)[O-])csc1NS(=O)(=O)c1ccc2ccccc2c1 ZINC000833741781 605127314 /nfs/dbraw/zinc/12/73/14/605127314.db2.gz WQCHZDABOCSAEE-UHFFFAOYSA-N -1 2 347.417 3.709 20 0 EHADLM Cc1c(C(=O)[O-])csc1NS(=O)(=O)c1ccc(C)c(Cl)c1 ZINC000833750930 605128392 /nfs/dbraw/zinc/12/83/92/605128392.db2.gz HVRNMOIBNYSZAE-UHFFFAOYSA-N -1 2 345.829 3.517 20 0 EHADLM CC[C@]1(C)CCC[N@H+](Cc2nc3c4ccccc4oc3c(=O)[nH]2)C1 ZINC000072802607 1128737724 /nfs/dbraw/zinc/73/77/24/1128737724.db2.gz VEONZDAYBBGQEB-LJQANCHMSA-N -1 2 325.412 3.681 20 0 EHADLM C[C@H](CN(C)C(=O)c1cc(-c2ccccc2)cc(Cl)c1O)C(=O)[O-] ZINC000827436920 601387543 /nfs/dbraw/zinc/38/75/43/601387543.db2.gz LZVDXZOCMGYDKG-LLVKDONJSA-N -1 2 347.798 3.505 20 0 EHADLM O=C([O-])[C@@H]1CCC[C@H](C(=O)Nc2cc(Cl)c(O)c(Cl)c2)C1 ZINC000314550499 963767959 /nfs/dbraw/zinc/76/79/59/963767959.db2.gz YWOLLXBSIOTWOH-JGVFFNPUSA-N -1 2 332.183 3.529 20 0 EHADLM Cc1[nH]c(CNC(=O)C(F)(F)c2cc(Cl)ccc2Cl)[nH+]c1C ZINC000896910812 1025941753 /nfs/dbraw/zinc/94/17/53/1025941753.db2.gz YQRMUUCSTWFXDO-UHFFFAOYSA-N -1 2 348.180 3.742 20 0 EHADLM O=C([O-])C1CCC(CC(=O)Nc2cc(Cl)c(O)c(Cl)c2)CC1 ZINC000911153592 1039264012 /nfs/dbraw/zinc/26/40/12/1039264012.db2.gz GVSFZZWGULSTLC-UHFFFAOYSA-N -1 2 346.210 3.919 20 0 EHADLM CC(C)(C)c1ccc([C@H](CC(=O)[O-])NC(=O)C(F)C(F)(F)F)cc1 ZINC001590481521 990073700 /nfs/dbraw/zinc/07/37/00/990073700.db2.gz GKJKKQOGIUFSFL-AAEUAGOBSA-N -1 2 349.324 3.517 20 0 EHADLM CC(C)(C)c1ccc([C@H](CC(=O)[O-])NC(=O)[C@H](F)C(F)(F)F)cc1 ZINC001590481521 990073711 /nfs/dbraw/zinc/07/37/11/990073711.db2.gz GKJKKQOGIUFSFL-AAEUAGOBSA-N -1 2 349.324 3.517 20 0 EHADLM Cc1cc(=O)[nH]c([C@@H](C)[NH+]2CCC(c3cccc(F)c3F)CC2)n1 ZINC000515124149 1025036428 /nfs/dbraw/zinc/03/64/28/1025036428.db2.gz AWBIALBHJFQSSG-GFCCVEGCSA-N -1 2 333.382 3.709 20 0 EHADLM O=[P@@]([O-])(O)c1ccc(NC2(c3cccc(F)c3)CCCCC2)cc1 ZINC001171408607 1137474771 /nfs/dbraw/zinc/47/47/71/1137474771.db2.gz FOSDGCRAJDJBQV-UHFFFAOYSA-N -1 2 349.342 3.900 20 0 EHADLM O=[P@]([O-])(O)c1ccc(NC2(c3cccc(F)c3)CCCCC2)cc1 ZINC001171408607 1137474772 /nfs/dbraw/zinc/47/47/72/1137474772.db2.gz FOSDGCRAJDJBQV-UHFFFAOYSA-N -1 2 349.342 3.900 20 0 EHADLM O=C(Nc1cc(Cl)c([O-])c(Cl)c1)c1cc(F)c(O)c(F)c1 ZINC000131662826 1137857880 /nfs/dbraw/zinc/85/78/80/1137857880.db2.gz JXFQOPOOTIKBFH-UHFFFAOYSA-N -1 2 334.105 3.935 20 0 EHADLM Cc1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)sc1C ZINC000091014892 1032615883 /nfs/dbraw/zinc/61/58/83/1032615883.db2.gz SSVULKBFQVWPFC-UHFFFAOYSA-N -1 2 345.829 3.517 20 0 EHADLM CN(CCCC(=O)[O-])C(=O)c1cc(-c2ccccc2)cc(Cl)c1O ZINC000830768471 601386854 /nfs/dbraw/zinc/38/68/54/601386854.db2.gz WLOBOXQQKBSAEE-UHFFFAOYSA-N -1 2 347.798 3.649 20 0 EHADLM CC[C@@H](C(=O)[O-])N(C)C(=O)c1cc(-c2ccccc2)cc(Cl)c1O ZINC001589435072 954681789 /nfs/dbraw/zinc/68/17/89/954681789.db2.gz BESMLPWXUSNOAQ-HNNXBMFYSA-N -1 2 347.798 3.648 20 0 EHADLM C/C=C\c1ccc(NS(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)cc1 ZINC000516919223 1021853596 /nfs/dbraw/zinc/85/35/96/1021853596.db2.gz DJHRYVGQCUSISA-ARJAWSKDSA-N -1 2 349.383 3.666 20 0 EHADLM O=S(=O)(Nc1ccc(-n2cc[nH+]c2)cc1)c1cccc2ccccc21 ZINC000221396450 1033138964 /nfs/dbraw/zinc/13/89/64/1033138964.db2.gz LAXMBSXAKDVAJN-UHFFFAOYSA-N -1 2 349.415 3.826 20 0 EHADLM Oc1ccc(F)c(C[NH+]2CCC([C@@H](O)c3ccccc3)CC2)c1F ZINC000816484023 1136723462 /nfs/dbraw/zinc/72/34/62/1136723462.db2.gz NGSMBYAVLURQNX-IBGZPJMESA-N -1 2 333.378 3.616 20 0 EHADLM CC1(C)C[C@]1([NH2+]Cc1nnc(-c2ccccc2O)o1)c1ccccc1 ZINC000879007954 1137735161 /nfs/dbraw/zinc/73/51/61/1137735161.db2.gz LHEZKKSXFCKOAN-FQEVSTJZSA-N -1 2 335.407 3.857 20 0 EHADLM CCCc1ccc(S(=O)(=O)Nc2cc(C)c(C(=O)[O-])s2)cc1 ZINC000314547460 599875166 /nfs/dbraw/zinc/87/51/66/599875166.db2.gz YJLJMZXFQAHPQA-UHFFFAOYSA-N -1 2 339.438 3.508 20 0 EHADLM Cc1cc(NS(=O)(=O)c2cccc(C(C)C)c2)sc1C(=O)[O-] ZINC000738463881 601046183 /nfs/dbraw/zinc/04/61/83/601046183.db2.gz QYHOACGZHGBTBM-UHFFFAOYSA-N -1 2 339.438 3.679 20 0 EHADLM O=C([O-])/C=C/c1cc(C(=O)Nc2cc(Cl)cc(Cl)c2O)co1 ZINC001594969361 955089593 /nfs/dbraw/zinc/08/95/93/955089593.db2.gz WYRWBABVOJUZNQ-OWOJBTEDSA-N -1 2 342.134 3.642 20 0 EHADLM C[C@@H](Cc1ccc(NC(=O)c2cccc(Cl)c2O)cc1)C(=O)[O-] ZINC001592873126 979734260 /nfs/dbraw/zinc/73/42/60/979734260.db2.gz QRKGPILTKDLPCP-JTQLQIEISA-N -1 2 333.771 3.561 20 0 EHADLM C/C=C/c1ccc(NS(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)cc1 ZINC000516919224 1021853770 /nfs/dbraw/zinc/85/37/70/1021853770.db2.gz DJHRYVGQCUSISA-ONEGZZNKSA-N -1 2 349.383 3.666 20 0 EHADLM Cc1cc(C)c(C(=O)[O-])cc1NS(=O)(=O)c1ccc(Cl)s1 ZINC000548537481 974466400 /nfs/dbraw/zinc/46/64/00/974466400.db2.gz YNJQVBFEQZPVIW-UHFFFAOYSA-N -1 2 345.829 3.517 20 0 EHADLM C[N@H+](CCc1cccc(C(F)(F)F)n1)Cc1ccc(O)c(F)c1F ZINC001140890049 1016732329 /nfs/dbraw/zinc/73/23/29/1016732329.db2.gz SNGXQXZMHPXCLB-UHFFFAOYSA-N -1 2 346.299 3.759 20 0 EHADLM O=C(Nc1nc(-c2cccc(Cl)c2)n[nH]1)c1ccc(C(F)F)o1 ZINC001125427965 1018790435 /nfs/dbraw/zinc/79/04/35/1018790435.db2.gz DBGYCFDGERMMPK-UHFFFAOYSA-N -1 2 338.701 3.908 20 0 EHADLM Oc1ccc(F)c(C[NH2+]Cc2cccc(Br)c2)c1F ZINC000510336040 1019899391 /nfs/dbraw/zinc/89/93/91/1019899391.db2.gz JHHICVUHZDUBJR-UHFFFAOYSA-N -1 2 328.156 3.723 20 0 EHADLM Cc1ccsc1S(=O)(=O)Nc1c(C)ccc(Cl)c1C(=O)[O-] ZINC000475741326 1031719397 /nfs/dbraw/zinc/71/93/97/1031719397.db2.gz VUHADGQUMRUGSJ-UHFFFAOYSA-N -1 2 345.829 3.517 20 0 EHADLM O=C([O-])C1(C(=O)Nc2cc(Cl)c(O)c(Cl)c2)CC2(CCC2)C1 ZINC000911153847 1039264123 /nfs/dbraw/zinc/26/41/23/1039264123.db2.gz HLMDDAADXPAXDP-UHFFFAOYSA-N -1 2 344.194 3.673 20 0 EHADLM O=C(c1ccc(F)cc1)C1CC[NH+](Cc2cc(O)cc(F)c2)CC1 ZINC000279405853 1044046778 /nfs/dbraw/zinc/04/67/78/1044046778.db2.gz LLIADJYAMOTBTC-UHFFFAOYSA-N -1 2 331.362 3.765 20 0 EHADLM O=C(Nc1ccc(O)c(Cl)c1)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000129522389 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ZINC000112701972 1128945007 /nfs/dbraw/zinc/94/50/07/1128945007.db2.gz KROGQVIFEGYHCJ-UHFFFAOYSA-N -1 2 343.452 3.867 20 0 EHADLM Cc1c(O)ccc2c(C[NH2+][C@@H](CF)c3ccc(F)cc3)cc(=O)oc12 ZINC001197146798 1135654054 /nfs/dbraw/zinc/65/40/54/1135654054.db2.gz TTWMIWZMTJYVOZ-INIZCTEOSA-N -1 2 345.345 3.747 20 0 EHADLM Cc1cscc1NS(=O)(=O)c1cc(C(=O)[O-])cc(C)c1Cl ZINC000156374891 1041154627 /nfs/dbraw/zinc/15/46/27/1041154627.db2.gz BPVDQASCKUZHMM-UHFFFAOYSA-N -1 2 345.829 3.517 20 0 EHADLM O=[P@@]([O-])(O)c1ccc(NC2c3ccccc3-c3ccccc32)cc1 ZINC001167776505 1042000149 /nfs/dbraw/zinc/00/01/49/1042000149.db2.gz CHNOKOAFPYKBSX-UHFFFAOYSA-N -1 2 337.315 3.672 20 0 EHADLM O=[P@]([O-])(O)c1ccc(NC2c3ccccc3-c3ccccc32)cc1 ZINC001167776505 1042000154 /nfs/dbraw/zinc/00/01/54/1042000154.db2.gz CHNOKOAFPYKBSX-UHFFFAOYSA-N -1 2 337.315 3.672 20 0 EHADLM Cn1cc(-c2cc(CNc3cc([S-])cc(S)c3)ccn2)cn1 ZINC001170125505 1134360516 /nfs/dbraw/zinc/36/05/16/1134360516.db2.gz LSIDQEJGWZBKOM-UHFFFAOYSA-N -1 2 328.466 3.672 20 0 EHADLM Oc1ccccc1-c1nnc(C[N@@H+]2CCC[C@H]2c2ccc(F)cc2)o1 ZINC000877914932 1137695373 /nfs/dbraw/zinc/69/53/73/1137695373.db2.gz KKYVZUZJVYMSKA-INIZCTEOSA-N -1 2 339.370 3.918 20 0 EHADLM CC[C@H](C(=O)[O-])N(C)C(=O)c1cc(-c2ccccc2)cc(Cl)c1O ZINC001589435074 954681974 /nfs/dbraw/zinc/68/19/74/954681974.db2.gz BESMLPWXUSNOAQ-OAHLLOKOSA-N -1 2 347.798 3.648 20 0 EHADLM O=C([O-])[C@H]1CCC[C@H](C(=O)Nc2cc(Cl)c(O)c(Cl)c2)C1 ZINC000314550505 963768106 /nfs/dbraw/zinc/76/81/06/963768106.db2.gz YWOLLXBSIOTWOH-YUMQZZPRSA-N -1 2 332.183 3.529 20 0 EHADLM C[C@H](CS(=O)(=O)[N-]c1cc(F)cc(Cl)c1O)c1ccccc1 ZINC000387892746 1038678361 /nfs/dbraw/zinc/67/83/61/1038678361.db2.gz OKYPFJLBDQXUMJ-SNVBAGLBSA-N -1 2 343.807 3.730 20 0 EHADLM CC(C)(C)C(=O)N1CCC(CNc2cc([S-])cc(S)c2)CC1 ZINC001170353927 1134754165 /nfs/dbraw/zinc/75/41/65/1134754165.db2.gz MJHXODAIGSJIPX-UHFFFAOYSA-N -1 2 338.542 3.961 20 0 EHADLM O=c1cc(C[N@H+]2CC=C(c3c(F)cccc3F)CC2)nc(C2CC2)[nH]1 ZINC000459413088 1032084460 /nfs/dbraw/zinc/08/44/60/1032084460.db2.gz SOTTWBHDEDNGMH-UHFFFAOYSA-N -1 2 343.377 3.627 20 0 EHADLM Cc1cc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)sc1C ZINC000091015340 1032616148 /nfs/dbraw/zinc/61/61/48/1032616148.db2.gz LSJJUVPOGUXFKN-UHFFFAOYSA-N -1 2 345.829 3.517 20 0 EHADLM C[C@@H](c1nc2ccccc2s1)[N@H+](C)Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000459340712 1027730094 /nfs/dbraw/zinc/73/00/94/1027730094.db2.gz BWQYNUGSSLVZNB-NSHDSACASA-N -1 2 340.452 3.862 20 0 EHADLM Cc1ccc(S(=O)(=O)Nc2c(C)c(Cl)ccc2C(=O)[O-])s1 ZINC000618761839 1125193122 /nfs/dbraw/zinc/19/31/22/1125193122.db2.gz KAROLEIEKJFCEM-UHFFFAOYSA-N -1 2 345.829 3.517 20 0 EHADLM O=C(c1ccccc1)N1CCC[C@H](Nc2cc([S-])cc(S)c2)C1 ZINC001168900081 1132591928 /nfs/dbraw/zinc/59/19/28/1132591928.db2.gz UPOBUMURLVACKT-AWEZNQCLSA-N -1 2 344.505 3.981 20 0 EHADLM Cc1c(C(=O)[O-])csc1NS(=O)(=O)c1ccc(C(C)C)cc1 ZINC000833741163 605125797 /nfs/dbraw/zinc/12/57/97/605125797.db2.gz AFGHSGWSPGOEPD-UHFFFAOYSA-N -1 2 339.438 3.679 20 0 EHADLM Cc1c(O)ccc2c(C[NH2+][C@H](CF)c3ccc(F)cc3)cc(=O)oc12 ZINC001197146804 1135654199 /nfs/dbraw/zinc/65/41/99/1135654199.db2.gz TTWMIWZMTJYVOZ-MRXNPFEDSA-N -1 2 345.345 3.747 20 0 EHADLM Cc1ccsc1S(=O)(=O)Nc1c(C(=O)[O-])cccc1C(C)C ZINC000584323313 1032136925 /nfs/dbraw/zinc/13/69/25/1032136925.db2.gz ITRWRBDJTKYQAB-UHFFFAOYSA-N -1 2 339.438 3.679 20 0 EHADLM Cc1cc(=O)[nH]c([C@H](C)[NH+]2CCC(Oc3ccccc3Cl)CC2)n1 ZINC000192706473 1126929876 /nfs/dbraw/zinc/92/98/76/1126929876.db2.gz HCFWTORHVAUNIT-ZDUSSCGKSA-N -1 2 347.846 3.748 20 0 EHADLM