smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOC(=O)c1[n-]c(-c2ccccc2)c(C(=O)OCC)c1-c1ccccc1 ZINC000001596874 204013193 /nfs/dbraw/zinc/01/31/93/204013193.db2.gz OXVMXZKQWBYDHI-UHFFFAOYSA-N -1 1 363.413 4.702 40 0 FJABMM CC1=C(/C=C\[C@@H](O)CC([O-])(C(F)(F)F)C(F)(F)F)C(C)(C)CCC1 ZINC000005022137 204184813 /nfs/dbraw/zinc/18/48/13/204184813.db2.gz IIIWMUPWTIFDSH-JMEBYUIHSA-N -1 1 360.338 4.676 40 0 FJABMM CC1(C)Oc2c(C(=O)c3ccccc3)c([O-])cc3c2[C@H]2C[C@](C)(CC[C@@H]21)O3 ZINC000013403672 206303280 /nfs/dbraw/zinc/30/32/80/206303280.db2.gz XUPOZHDUFRMVTF-NPGVVQFXSA-N -1 1 364.441 4.829 40 0 biogenic,in-vitro FJABMM CCc1n[n-]c(=S)n1NCc1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000008339295 263354589 /nfs/dbraw/zinc/35/45/89/263354589.db2.gz ZMLVPEOJFHSJKY-UHFFFAOYSA-N -1 1 369.277 4.814 40 0 FJABMM CCCN1C(=O)/C(=C\c2cc(Cl)c([O-])c(OCC)c2)c2ccccc21 ZINC000409114477 570728913 /nfs/dbraw/zinc/72/89/13/570728913.db2.gz JXEQJUILYWIUJB-GDNBJRDFSA-N -1 1 357.837 4.742 40 0 FJABMM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)ccc1F ZINC000225602392 571048632 /nfs/dbraw/zinc/04/86/32/571048632.db2.gz FJEXCJXYUUZARV-UHFFFAOYSA-N -1 1 367.751 4.607 40 0 FJABMM COc1cc(-c2nc3ccccc3c(=O)[n-]2)ccc1OCc1ccc(C)cc1 ZINC000575410895 571147907 /nfs/dbraw/zinc/14/79/07/571147907.db2.gz KULXPHIEZBZTNN-UHFFFAOYSA-N -1 1 372.424 4.898 40 0 FJABMM CCCCCCOc1ccc(-c2nc3ccccc3c(=O)[n-]2)cc1OC ZINC000575411015 571147950 /nfs/dbraw/zinc/14/79/50/571147950.db2.gz WEBUIAHYQZFRLI-UHFFFAOYSA-N -1 1 352.434 4.970 40 0 FJABMM COc1cc(-c2nc3ccccc3c(=O)[n-]2)ccc1OCc1ccccc1 ZINC000575410917 571147992 /nfs/dbraw/zinc/14/79/92/571147992.db2.gz MKXWJEQDRYAXAV-UHFFFAOYSA-N -1 1 358.397 4.590 40 0 FJABMM CCOc1cc(-c2nc3ccccc3c(=O)[n-]2)ccc1OCc1ccccc1 ZINC000575410797 571148326 /nfs/dbraw/zinc/14/83/26/571148326.db2.gz BGXOFKRZIKCRKM-UHFFFAOYSA-N -1 1 372.424 4.980 40 0 FJABMM COc1ccc(-c2cc(-c3cc(C)cc(Br)c3[O-])no2)cc1 ZINC000001610305 204014027 /nfs/dbraw/zinc/01/40/27/204014027.db2.gz XCTYDHVGKNVUMM-UHFFFAOYSA-N -1 1 360.207 4.794 40 0 FJABMM Cc1ccc2nc(S[C@@H](Cc3ccc(C)cc3Cl)C(=O)[O-])[nH]c2c1 ZINC000004626255 204151789 /nfs/dbraw/zinc/15/17/89/204151789.db2.gz OIJCUTVJENGLLV-INIZCTEOSA-N -1 1 360.866 4.621 40 0 FJABMM CCCc1nc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2s1 ZINC000022255093 211344903 /nfs/dbraw/zinc/34/49/03/211344903.db2.gz DMZAJFSQTDHMNM-UHFFFAOYSA-N -1 1 366.895 4.703 40 0 FJABMM Cc1cc(=O)n(-c2ccc(NC(=O)Nc3cccc4ccccc43)cc2)[n-]1 ZINC000016607322 211164328 /nfs/dbraw/zinc/16/43/28/211164328.db2.gz FYDVPQNLRZMJNZ-UHFFFAOYSA-N -1 1 358.401 4.596 40 0 FJABMM CCSc1ccccc1[N-]S(=O)(=O)c1ccc(OC)c(C(C)C)c1 ZINC000223654085 568691309 /nfs/dbraw/zinc/69/13/09/568691309.db2.gz IKYLIMSKESBZFE-UHFFFAOYSA-N -1 1 365.520 4.731 40 0 FJABMM COc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1C(C)C ZINC000408680176 570640960 /nfs/dbraw/zinc/64/09/60/570640960.db2.gz OYUWNXVLHBSDDF-UHFFFAOYSA-N -1 1 355.459 4.773 40 0 FJABMM Cc1cccc(C(C)C)c1[N-]S(=O)(=O)c1ccc(Br)cc1 ZINC000005925468 570777995 /nfs/dbraw/zinc/77/79/95/570777995.db2.gz PCLZXBQPKZSATE-UHFFFAOYSA-N -1 1 368.296 4.682 40 0 FJABMM S=c1[n-]nc(-c2ccccc2)n1NCc1ccc(Cl)c(Cl)c1 ZINC000007601535 570791459 /nfs/dbraw/zinc/79/14/59/570791459.db2.gz IJQFTQXVYGHPSB-UHFFFAOYSA-N -1 1 351.262 4.658 40 0 FJABMM COc1cc(C)c(S(=O)(=O)[N-]c2ccccc2-c2ccccc2)c(C)c1 ZINC000224176070 570979807 /nfs/dbraw/zinc/97/98/07/570979807.db2.gz INGQXDDXTAVOBF-UHFFFAOYSA-N -1 1 367.470 4.780 40 0 FJABMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(Cl)c(C(F)(F)F)c1 ZINC000225592630 571047887 /nfs/dbraw/zinc/04/78/87/571047887.db2.gz CJWVLVMVVDMVEF-UHFFFAOYSA-N -1 1 367.751 4.607 40 0 FJABMM CCc1cccc(CC)c1[N-]S(=O)(=O)c1ccc2cc(OC)ccc2c1 ZINC000225665714 571053919 /nfs/dbraw/zinc/05/39/19/571053919.db2.gz OTLBHTYTMGMTBP-UHFFFAOYSA-N -1 1 369.486 4.774 40 0 FJABMM COc1cc(C=C2SC(=S)[N-]C2=O)ccc1OCc1ccc(C)cc1 ZINC000001187175 219386694 /nfs/dbraw/zinc/38/66/94/219386694.db2.gz KYZFXCYSPAFSSA-LICLKQGHSA-N -1 1 371.483 4.912 40 0 FJABMM COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1[O-] ZINC000000642588 206131207 /nfs/dbraw/zinc/13/12/07/206131207.db2.gz JIEINYQEXWLMCU-UHFFFAOYSA-N -1 1 372.218 4.569 40 0 FJABMM CSc1ccccc1[N-]S(=O)(=O)Cc1c(Cl)cccc1Cl ZINC000013680613 211048550 /nfs/dbraw/zinc/04/85/50/211048550.db2.gz AREHWYMNXNVXFN-UHFFFAOYSA-N -1 1 362.303 4.657 40 0 FJABMM C[C@@H](NCc1ccc(F)cc1)c1onc(-c2ccc(Cl)cc2)c1C(=O)[O-] ZINC000096296892 222112524 /nfs/dbraw/zinc/11/25/24/222112524.db2.gz NRCNANTWMNRGDJ-LLVKDONJSA-N -1 1 374.799 4.683 40 0 biogenic,in-vitro FJABMM CCc1n[n-]c(=S)n1NCc1ccc(-c2cc(Cl)cc(Cl)c2)o1 ZINC000008339258 263354376 /nfs/dbraw/zinc/35/43/76/263354376.db2.gz DNHZVQUPRFONIM-UHFFFAOYSA-N -1 1 369.277 4.814 40 0 FJABMM CC1(C)CCc2cc(S(=O)(=O)[N-]c3cccc4ccccc43)ccc2O1 ZINC000223658361 568692449 /nfs/dbraw/zinc/69/24/49/568692449.db2.gz BTWSGEOZWPEMDS-UHFFFAOYSA-N -1 1 367.470 4.744 40 0 FJABMM [O-]C([C@@H]1CCCCCCCCCC[C@@H]1O)(C(F)(F)F)C(F)(F)F ZINC000005022226 570618329 /nfs/dbraw/zinc/61/83/29/570618329.db2.gz NTSJAHWLRPOMME-NEPJUHHUSA-N -1 1 350.343 4.734 40 0 FJABMM COc1cc(/C=C2/c3ccccc3N(CC(C)C)C2=O)cc(Cl)c1[O-] ZINC000409110391 570725157 /nfs/dbraw/zinc/72/51/57/570725157.db2.gz VPNLBWWVRAFJPH-NVNXTCNLSA-N -1 1 357.837 4.597 40 0 FJABMM CCOc1cc(/C=C2/c3ccccc3N(CC(C)C)C2=O)cc(Cl)c1[O-] ZINC000409113706 570726055 /nfs/dbraw/zinc/72/60/55/570726055.db2.gz GFBKHOGZTWLXPB-SXGWCWSVSA-N -1 1 371.864 4.988 40 0 FJABMM Fc1ccccc1-c1ccc(CNn2c(=S)[n-]nc2-c2ccccc2)o1 ZINC000007602142 570791248 /nfs/dbraw/zinc/79/12/48/570791248.db2.gz VACUFLXTDYAAOY-UHFFFAOYSA-N -1 1 366.421 4.750 40 0 FJABMM S=c1[n-]nc(-c2ccccc2)n1NCc1ccc(Cl)cc1Cl ZINC000007601471 570791317 /nfs/dbraw/zinc/79/13/17/570791317.db2.gz SDQDOSRLCZHVFW-UHFFFAOYSA-N -1 1 351.262 4.658 40 0 FJABMM O=C([O-])c1ccccc1-c1ccc(CN2CCCC[C@@H]2c2cnccn2)cc1 ZINC000257272304 571156608 /nfs/dbraw/zinc/15/66/08/571156608.db2.gz NBXFIQCUGQEBNC-JOCHJYFZSA-N -1 1 373.456 4.569 40 0 FJABMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1C(C)C ZINC000008050425 571300063 /nfs/dbraw/zinc/30/00/63/571300063.db2.gz FHLAIEUVXOPXBX-UHFFFAOYSA-N -1 1 374.289 4.926 40 0 FJABMM COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1C(C)C ZINC000008041637 571300083 /nfs/dbraw/zinc/30/00/83/571300083.db2.gz BYPWASHBKGUNPW-UHFFFAOYSA-N -1 1 374.289 4.926 40 0 FJABMM CCSc1ccccc1[N-]S(=O)(=O)Cc1c(F)cccc1Cl ZINC000216293397 206358669 /nfs/dbraw/zinc/35/86/69/206358669.db2.gz JZKJBNXYLAKMIZ-UHFFFAOYSA-N -1 1 359.875 4.533 40 0 FJABMM COc1ccc(S(=O)(=O)[N-]c2ccccc2-c2ccccc2)c(C)c1C ZINC000223219034 568626917 /nfs/dbraw/zinc/62/69/17/568626917.db2.gz BTUAMQKGYHHZFP-UHFFFAOYSA-N -1 1 367.470 4.780 40 0 FJABMM CC1=C(/C=C/[C@H](O)CC([O-])(C(F)(F)F)C(F)(F)F)C(C)(C)CCC1 ZINC000005456995 570627762 /nfs/dbraw/zinc/62/77/62/570627762.db2.gz IIIWMUPWTIFDSH-MLRMMBSGSA-N -1 1 360.338 4.676 40 0 FJABMM S=c1[n-]nc(-c2ccccc2)n1NCc1cccc(Cl)c1Cl ZINC000007601534 570791476 /nfs/dbraw/zinc/79/14/76/570791476.db2.gz UBPQYNXCCOKOMF-UHFFFAOYSA-N -1 1 351.262 4.658 40 0 FJABMM O=C1[N-]C(=O)C(=Cc2ccc(OCc3cccc4ccccc43)cc2)S1 ZINC000113834488 570825675 /nfs/dbraw/zinc/82/56/75/570825675.db2.gz ABQJUTRUVSRJLB-XDHOZWIPSA-N -1 1 361.422 4.743 40 0 FJABMM COc1ccc2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3C)ccc2c1 ZINC000223844159 570970415 /nfs/dbraw/zinc/97/04/15/570970415.db2.gz XHCHWENKCSHMLG-UHFFFAOYSA-N -1 1 361.850 4.611 40 0 FJABMM COc1ccc2cc(S(=O)(=O)[N-]c3cccc(Cl)c3C)ccc2c1 ZINC000225130928 571017562 /nfs/dbraw/zinc/01/75/62/571017562.db2.gz NSMSTVCTADIYKJ-UHFFFAOYSA-N -1 1 361.850 4.611 40 0 FJABMM CCCCc1ccc([N-]S(=O)(=O)c2ccc3cc(OC)ccc3c2)cc1 ZINC000225620979 571050244 /nfs/dbraw/zinc/05/02/44/571050244.db2.gz LISAVLIBRHPLTP-UHFFFAOYSA-N -1 1 369.486 4.992 40 0 FJABMM COc1cc(-c2nc3ccccc3c(=O)[n-]2)ccc1OCc1ccccc1C ZINC000575410893 571147880 /nfs/dbraw/zinc/14/78/80/571147880.db2.gz KSBLEUSTTHYZQY-UHFFFAOYSA-N -1 1 372.424 4.898 40 0 FJABMM Cc1cccc(CN2C(=O)S/C(=C/c3ccc([O-])c(Cl)c3)C2=O)c1 ZINC000006478714 571296511 /nfs/dbraw/zinc/29/65/11/571296511.db2.gz FMRLFJGSRPKPTF-CXUHLZMHSA-N -1 1 359.834 4.591 40 0 FJABMM Cc1n[nH]c(SC(=Cc2c3ccccc3cc3ccccc32)C(=O)[O-])n1 ZINC000006588212 571296781 /nfs/dbraw/zinc/29/67/81/571296781.db2.gz DIJZTCYBXRVCMQ-WQRHYEAKSA-N -1 1 361.426 4.637 40 0 FJABMM Cc1nc(SC(=Cc2c3ccccc3cc3ccccc32)C(=O)[O-])n[nH]1 ZINC000006588212 571296782 /nfs/dbraw/zinc/29/67/82/571296782.db2.gz DIJZTCYBXRVCMQ-WQRHYEAKSA-N -1 1 361.426 4.637 40 0 FJABMM O=S(=O)([N-]c1cccc(Cl)c1)c1ccc(Oc2ccccc2)cc1 ZINC000005901295 204229829 /nfs/dbraw/zinc/22/98/29/204229829.db2.gz RIFLWZRPDKACMJ-UHFFFAOYSA-N -1 1 359.834 4.933 40 0 FJABMM CCOc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1C ZINC000408553746 570550265 /nfs/dbraw/zinc/55/02/65/570550265.db2.gz QIASHXJXRAGSDW-UHFFFAOYSA-N -1 1 360.262 4.501 40 0 FJABMM CCOc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1Cl ZINC000408588733 570566918 /nfs/dbraw/zinc/56/69/18/570566918.db2.gz YFLZCFPYGHZTGX-UHFFFAOYSA-N -1 1 361.850 4.693 40 0 FJABMM O=C1S/C(=C/c2ccc([O-])c(Cl)c2)C(=O)N1CC1CCCCC1 ZINC000409124397 570729860 /nfs/dbraw/zinc/72/98/60/570729860.db2.gz HFGGTKUBDFHYRG-OQLLNIDSSA-N -1 1 351.855 4.662 40 0 FJABMM S=c1[n-]nc(-c2ccccc2)n1NCc1c(Cl)cccc1Cl ZINC000007601472 570791343 /nfs/dbraw/zinc/79/13/43/570791343.db2.gz FFQYFPAUIYWKFJ-UHFFFAOYSA-N -1 1 351.262 4.658 40 0 FJABMM CCOc1cccc([N-]S(=O)(=O)c2ccc(Oc3ccccc3)cc2)c1 ZINC000030758385 571049751 /nfs/dbraw/zinc/04/97/51/571049751.db2.gz WQZBMIHZGYKVPH-UHFFFAOYSA-N -1 1 369.442 4.678 40 0 FJABMM CCc1n[n-]c(=S)n1NCc1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000008339260 263354311 /nfs/dbraw/zinc/35/43/11/263354311.db2.gz SDRDEHUOJBXLIO-UHFFFAOYSA-N -1 1 369.277 4.814 40 0 FJABMM COc1ccccc1-c1n[n-]c(=S)n1NC/C=C/c1ccc(Cl)cc1 ZINC000008496543 263354981 /nfs/dbraw/zinc/35/49/81/263354981.db2.gz HSDNPYLKYVQRIF-SNAWJCMRSA-N -1 1 372.881 4.527 40 0 FJABMM COc1ccccc1-c1n[n-]c(=S)n1NCc1cccc2ccccc21 ZINC000008496640 263355082 /nfs/dbraw/zinc/35/50/82/263355082.db2.gz KUVCUZLITSJKLO-UHFFFAOYSA-N -1 1 362.458 4.513 40 0 FJABMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C)cc1Cl ZINC000408586352 570566185 /nfs/dbraw/zinc/56/61/85/570566185.db2.gz NUEMGYZJLOWCFV-UHFFFAOYSA-N -1 1 360.262 4.501 40 0 FJABMM [O-]C([C@H]1CCCCCCCCCC[C@@H]1O)(C(F)(F)F)C(F)(F)F ZINC000005022229 570618422 /nfs/dbraw/zinc/61/84/22/570618422.db2.gz NTSJAHWLRPOMME-RYUDHWBXSA-N -1 1 350.343 4.734 40 0 FJABMM Cc1cc(C=C2SC(=O)[N-]C2=O)cc(C)c1OCc1ccc(Cl)cc1 ZINC000408850809 570692539 /nfs/dbraw/zinc/69/25/39/570692539.db2.gz RNSARFMWNHEZJF-CXUHLZMHSA-N -1 1 373.861 4.860 40 0 FJABMM CSc1ccccc1[N-]C(=O)c1snnc1-c1ccc(Cl)cc1 ZINC000225771767 571064405 /nfs/dbraw/zinc/06/44/05/571064405.db2.gz NAMXDFTVDLJFJH-UHFFFAOYSA-N -1 1 361.879 4.833 40 0 FJABMM Cc1cc2c(cc1C)NC1=C([O-])[C@H](c3ccc(Cl)c(Cl)c3)OC1=N2 ZINC000001588485 204013518 /nfs/dbraw/zinc/01/35/18/204013518.db2.gz QQMNRAXTEHFMRE-RDJZCZTQSA-N -1 1 361.228 4.775 40 0 FJABMM CCOc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2C)cc1Cl ZINC000408587350 570565834 /nfs/dbraw/zinc/56/58/34/570565834.db2.gz UCIZRPRYHRXKPR-UHFFFAOYSA-N -1 1 360.262 4.501 40 0 FJABMM CC(C)c1nnc([N-]C(=O)c2ncoc2-c2ccc3ccccc3c2)s1 ZINC000005002087 570675066 /nfs/dbraw/zinc/67/50/66/570675066.db2.gz RAWHVHHSODFDRI-UHFFFAOYSA-N -1 1 364.430 4.722 40 0 FJABMM O=c1c2c(C(F)(F)F)cc(-c3ccc(F)cc3)[n-]c-2nn1-c1ccccc1 ZINC000408969778 570705060 /nfs/dbraw/zinc/70/50/60/570705060.db2.gz UJPNTWOPIBPRTP-UHFFFAOYSA-N -1 1 373.309 4.539 40 0 FJABMM Cc1n[n-]c(=S)n1NCc1ccc(-c2cc(Cl)cc(Cl)c2)o1 ZINC000007602191 570791256 /nfs/dbraw/zinc/79/12/56/570791256.db2.gz DRQHXKYQHMBVSE-UHFFFAOYSA-N -1 1 355.250 4.560 40 0 FJABMM O=S(=O)([N-]c1ccc2[nH]c3ccccc3c2c1)c1ccc(Cl)cc1 ZINC000044781807 570899528 /nfs/dbraw/zinc/89/95/28/570899528.db2.gz CLNIEOIZMGJURK-UHFFFAOYSA-N -1 1 356.834 4.775 40 0 FJABMM O=C([O-])c1ccccc1-c1ccc(CN2CCCC[C@H]2c2cnccn2)cc1 ZINC000257272305 223045945 /nfs/dbraw/zinc/04/59/45/223045945.db2.gz NBXFIQCUGQEBNC-QFIPXVFZSA-N -1 1 373.456 4.569 40 0 FJABMM [O-]C(C=C(O)c1ccc(-c2ccccc2)cc1)(C(F)(F)F)C(F)(F)F ZINC000001615004 204013953 /nfs/dbraw/zinc/01/39/53/204013953.db2.gz LGBSCTBSWRQSTB-UHFFFAOYSA-N -1 1 362.269 4.782 40 0 FJABMM CC1(C)[C@H]2CC[C@]3(C)Oc4cc([O-])c(C(=O)c5ccccc5)c(O)c4[C@H]1[C@H]23 ZINC000013403690 220067230 /nfs/dbraw/zinc/06/72/30/220067230.db2.gz BQIVXBUAUNSLAJ-IWMLSVQMSA-N -1 1 364.441 4.630 40 0 biogenic,in-vitro FJABMM CC1(C)[C@H]2CC[C@]3(C)Oc4cc(O)c(C(=O)c5ccccc5)c([O-])c4[C@H]1[C@H]23 ZINC000013403690 220067234 /nfs/dbraw/zinc/06/72/34/220067234.db2.gz BQIVXBUAUNSLAJ-IWMLSVQMSA-N -1 1 364.441 4.630 40 0 biogenic,in-vitro FJABMM COc1ccc2cc(S(=O)(=O)[N-]c3ccc4ccccc4c3)ccc2c1 ZINC000223335990 568641698 /nfs/dbraw/zinc/64/16/98/568641698.db2.gz JIEPHUXMNFYOCL-UHFFFAOYSA-N -1 1 363.438 4.802 40 0 FJABMM CCCCOc1ccc(-c2nc3sc(C)c(C)c3c(=O)[n-]2)cc1OC ZINC000408734111 570684397 /nfs/dbraw/zinc/68/43/97/570684397.db2.gz DCGATVCWMKRCKK-UHFFFAOYSA-N -1 1 358.463 4.868 40 0 FJABMM Fc1ccc(-c2ccc(CNn3c(=S)[n-]nc3-c3ccccc3)o2)cc1 ZINC000007602157 570791398 /nfs/dbraw/zinc/79/13/98/570791398.db2.gz ZEQVAOLNZGTLOS-UHFFFAOYSA-N -1 1 366.421 4.750 40 0 FJABMM CCCc1n[n-]c(=S)n1NCc1ccc(-c2cccc(Cl)c2C)o1 ZINC000007602282 570791435 /nfs/dbraw/zinc/79/14/35/570791435.db2.gz LDDCRMBBSZZSLY-UHFFFAOYSA-N -1 1 362.886 4.859 40 0 FJABMM O=S(=O)([N-]c1ccc(F)c(F)c1)c1ccc(Oc2ccccc2)cc1 ZINC000022508529 570944449 /nfs/dbraw/zinc/94/44/49/570944449.db2.gz VILXWRQYUAJRHA-UHFFFAOYSA-N -1 1 361.369 4.558 40 0 FJABMM CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)oc2ccccc23)cc1 ZINC000223851253 570970338 /nfs/dbraw/zinc/97/03/38/570970338.db2.gz QNWYETAZULKWCS-UHFFFAOYSA-N -1 1 367.426 4.786 40 0 FJABMM COc1cc(C)c(S(=O)(=O)[N-]c2ccccc2-c2ccccc2)cc1C ZINC000224738317 570999516 /nfs/dbraw/zinc/99/95/16/570999516.db2.gz DXMJRYPVHXVBLF-UHFFFAOYSA-N -1 1 367.470 4.780 40 0 FJABMM Cc1sc(N2CCCCC2)nc1-c1cc(C)cc(Br)c1[O-] ZINC000005534557 207105674 /nfs/dbraw/zinc/10/56/74/207105674.db2.gz 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