smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1c(Cl)cccc1NC(=O)c1cc(-c2cc(Cl)ccc2O)n[nH]1 ZINC000005342699 204203578 /nfs/dbraw/zinc/20/35/78/204203578.db2.gz BHTDQKJBFMELTJ-UHFFFAOYSA-N 0 2 362.216 4.650 50 0 FJAALN O=c1c2ccc(O)cc2oc(C(F)(F)F)c1Oc1ccc(Cl)cc1 ZINC000005522194 204213680 /nfs/dbraw/zinc/21/36/80/204213680.db2.gz XXHVBLOKVVBUIM-UHFFFAOYSA-N 0 2 356.683 4.963 50 0 FJAALN Cc1c(O)ccc2c(=O)c(Oc3ccc(F)cc3)c(C(F)(F)F)oc12 ZINC000005611628 204218080 /nfs/dbraw/zinc/21/80/80/204218080.db2.gz WTSXGZAXEIBWCU-UHFFFAOYSA-N 0 2 354.255 4.757 50 0 FJAALN CC[C@H](C)c1ccc(NC(=O)CCNC(=O)c2ccccc2Cl)cc1 ZINC000006306979 204244948 /nfs/dbraw/zinc/24/49/48/204244948.db2.gz FGBFZGLKBKGRMH-AWEZNQCLSA-N 0 2 358.869 4.612 50 0 FJAALN Fc1cccc2sc(Nc3nc4cc5c(cc4s3)OCCO5)nc21 ZINC000004137840 206171152 /nfs/dbraw/zinc/17/11/52/206171152.db2.gz DXTNNZHDKLFBQB-UHFFFAOYSA-N 0 2 359.407 4.560 50 0 aggregator FJAALN COc1cc2nc(Nc3nc4c(cccc4C)s3)sc2cc1OC ZINC000005122738 206190750 /nfs/dbraw/zinc/19/07/50/206190750.db2.gz UVOXWARLUVSKQB-UHFFFAOYSA-N 0 2 357.460 4.975 50 0 FJAALN O=C(OCc1nc(-c2ccc(F)cc2)no1)c1c(Cl)cccc1Cl ZINC000023221105 211380022 /nfs/dbraw/zinc/38/00/22/211380022.db2.gz IMQQTRPCEPBQIO-UHFFFAOYSA-N 0 2 367.163 4.540 50 0 FJAALN Cc1sc2[nH]c(=S)n(Cc3ccncc3)c(=O)c2c1-c1ccccc1 ZINC000017075120 211177979 /nfs/dbraw/zinc/17/79/79/211177979.db2.gz QEASEDKUIXUYEY-UHFFFAOYSA-N 0 2 365.483 4.539 50 0 FJAALN O=S(=O)(Nc1ccc(Oc2ccccc2)cc1)c1cc(F)ccc1F ZINC000014256853 211088729 /nfs/dbraw/zinc/08/87/29/211088729.db2.gz CQEQMXHRKHYJBR-UHFFFAOYSA-N 0 2 361.369 4.558 50 0 FJAALN Cc1c(Cl)ccc2c(Nc3ccc(N(C)C)cc3)c(C(=O)[O-])c[nH+]c12 ZINC000019793888 220296329 /nfs/dbraw/zinc/29/63/29/220296329.db2.gz WGGLDFMZAQKPKT-UHFFFAOYSA-N 0 2 355.825 4.704 50 0 FJAALN CC(C)c1ccc(NS(=O)(=O)c2ccc(Br)cc2F)cc1 ZINC000096171070 222067533 /nfs/dbraw/zinc/06/75/33/222067533.db2.gz HEKLTTUSJMSHHA-UHFFFAOYSA-N 0 2 372.259 4.512 50 0 FJAALN Cc1ccc2c(c1)-c1ncc(C(=O)c3cc(Cl)ccc3O)cc1CO2 ZINC000000990118 570468704 /nfs/dbraw/zinc/46/87/04/570468704.db2.gz FNDHRJUMCBHOSM-UHFFFAOYSA-N 0 2 351.789 4.539 50 0 FJAALN O=C1c2[nH]nc(-c3ccccc3)c2[C@H](c2ccc(O)cc2)N1c1ccccc1 ZINC000005635450 570683240 /nfs/dbraw/zinc/68/32/40/570683240.db2.gz XZACIMGJBLFKDF-QFIPXVFZSA-N 0 2 367.408 4.532 50 0 FJAALN O=C1c2[nH]nc(-c3ccccc3)c2[C@@H](c2ccc(O)cc2)N1c1ccccc1 ZINC000005635445 570683267 /nfs/dbraw/zinc/68/32/67/570683267.db2.gz XZACIMGJBLFKDF-JOCHJYFZSA-N 0 2 367.408 4.532 50 0 FJAALN CC(C)c1ccc(Cn2c(=O)c3sc4ncccc4c3[nH]c2=S)cc1 ZINC000101968072 570825390 /nfs/dbraw/zinc/82/53/90/570825390.db2.gz YRUIBCLPLXGHFU-UHFFFAOYSA-N 0 2 367.499 4.840 50 0 FJAALN Cc1sc2[nH]c(=S)n(Cc3cccnc3)c(=O)c2c1-c1ccccc1 ZINC000017075121 570866935 /nfs/dbraw/zinc/86/69/35/570866935.db2.gz IYSQXSQTVJLYFV-UHFFFAOYSA-N 0 2 365.483 4.539 50 0 FJAALN CCC(C(=O)CCCC(=O)Nc1c(C)cccc1C)=C(O)c1ccccc1 ZINC000025574354 570997280 /nfs/dbraw/zinc/99/72/80/570997280.db2.gz NBCQWTOYNKVSRQ-IBGZPJMESA-N 0 2 365.473 4.890 50 0 FJAALN O=c1c2ccc(O)cc2oc(C(F)(F)F)c1Oc1cccc(Cl)c1 ZINC000031773418 571055637 /nfs/dbraw/zinc/05/56/37/571055637.db2.gz NUOJGQBOKSHSAQ-UHFFFAOYSA-N 0 2 356.683 4.963 50 0 FJAALN O=S(=O)(Nc1ccc(Oc2ccccc2)cc1)c1ccc(Cl)s1 ZINC000005985641 571170053 /nfs/dbraw/zinc/17/00/53/571170053.db2.gz DBKKQPVOOASONP-UHFFFAOYSA-N 0 2 365.863 4.995 50 0 FJAALN Cc1ccc2[nH]cc(-c3nc(-c4ccc(C(F)(F)F)cc4)no3)c(=O)c2c1 ZINC000035592668 571182793 /nfs/dbraw/zinc/18/27/93/571182793.db2.gz IPRXBUPFHHCFBZ-UHFFFAOYSA-N 0 2 371.318 4.572 50 0 FJAALN CCOc1ccc(C(C)C)cc1S(=O)(=O)Nc1cnc2ccccc2c1 ZINC000072414292 571192369 /nfs/dbraw/zinc/19/23/69/571192369.db2.gz RYQBZFNLCYDQPR-UHFFFAOYSA-N 0 2 370.474 4.558 50 0 FJAALN O=C1c2[nH]nc(-c3ccccc3)c2[C@H](c2cccc(F)c2)N1c1ccccc1 ZINC000004312507 204133306 /nfs/dbraw/zinc/13/33/06/204133306.db2.gz UTOIMBUDMVVBPN-QFIPXVFZSA-N 0 2 369.399 4.966 50 0 FJAALN CCc1cc2c(cc1O)oc(C)c(-c1nnc(-c3ccccc3)s1)c2=O ZINC000008482274 204332827 /nfs/dbraw/zinc/33/28/27/204332827.db2.gz XRXNHNGOHPQLND-UHFFFAOYSA-N 0 2 364.426 4.555 50 0 FJAALN O=C(Nc1cc(Cl)c(O)c(Cl)c1)[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000170591285 206269508 /nfs/dbraw/zinc/26/95/08/206269508.db2.gz GULXEYVMEVZLMY-DYVFJYSZSA-N 0 2 366.244 4.805 50 0 FJAALN O=c1c2c3c(sc2[nH]c(=S)n1Cc1ccc(Cl)cc1)CCCC3 ZINC000017074688 206322024 /nfs/dbraw/zinc/32/20/24/206322024.db2.gz JVXJJKZOFYJGFS-UHFFFAOYSA-N 0 2 362.907 4.701 50 0 FJAALN CC(C)c1cccc(NS(=O)(=O)c2ccc(Br)cc2F)c1 ZINC000096171087 222067681 /nfs/dbraw/zinc/06/76/81/222067681.db2.gz HBLWMYSZSKTOGZ-UHFFFAOYSA-N 0 2 372.259 4.512 50 0 FJAALN COc1cc2c(C(=O)[O-])c(C)n(-c3ccc([NH+](C)C)cc3)c2c2ccccc12 ZINC000001000343 570470299 /nfs/dbraw/zinc/47/02/99/570470299.db2.gz LJFZSEKFFURATH-UHFFFAOYSA-N 0 2 374.440 4.865 50 0 FJAALN Cc1ccc(C)c(NC(=O)c2cc(-c3cc(Cl)c(C)cc3O)n[nH]2)c1 ZINC000072238593 570994104 /nfs/dbraw/zinc/99/41/04/570994104.db2.gz LRKPYERUQWAJJY-UHFFFAOYSA-N 0 2 355.825 4.613 50 0 FJAALN Cc1ccc(NS(=O)(=O)c2ccc(-c3cnc(C4CC4)o3)s2)c(C)c1 ZINC000065004096 571250220 /nfs/dbraw/zinc/25/02/20/571250220.db2.gz SVSRFUFYMQOAMP-UHFFFAOYSA-N 0 2 374.487 4.698 50 0 FJAALN Cc1ccc(C(=O)CCC(=O)Nc2cc(Cl)c(O)c(Cl)c2)cc1 ZINC000095453040 571329957 /nfs/dbraw/zinc/32/99/57/571329957.db2.gz KCLVGPOSJDMHGS-UHFFFAOYSA-N 0 2 352.217 4.609 50 0 FJAALN COc1cccc2sc(Nc3nc4ccc(NC(C)=O)cc4s3)nc21 ZINC000004121610 571355784 /nfs/dbraw/zinc/35/57/84/571355784.db2.gz POMUQRAYCOZYGL-UHFFFAOYSA-N 0 2 370.459 4.617 50 0 FJAALN Cc1cc(O)c(C(=O)c2cnc3c(c2)COc2ccccc2-3)cc1Cl ZINC000005534894 204212895 /nfs/dbraw/zinc/21/28/95/204212895.db2.gz JVAOVEOFBOAHTF-UHFFFAOYSA-N 0 2 351.789 4.539 50 0 FJAALN Cc1ccc(NS(=O)(=O)c2ccc(-c3cnc(C4CC4)o3)s2)cc1C ZINC000065004105 205314766 /nfs/dbraw/zinc/31/47/66/205314766.db2.gz VTXBZCMZGRXREJ-UHFFFAOYSA-N 0 2 374.487 4.698 50 0 FJAALN S=c1[nH]nc(Cc2sc(-c3ccccc3)nc2-c2ccccc2)o1 ZINC000013143973 211026319 /nfs/dbraw/zinc/02/63/19/211026319.db2.gz HAYFWPDMMKMCKK-UHFFFAOYSA-N 0 2 351.456 4.740 50 0 FJAALN Cc1ccc(NC(=O)c2cc(-c3cc(Cl)c(C)cc3O)n[nH]2)cc1C ZINC000072238553 570993958 /nfs/dbraw/zinc/99/39/58/570993958.db2.gz GFZDTWQELBPRIK-UHFFFAOYSA-N 0 2 355.825 4.613 50 0 FJAALN CCCSc1[nH]c(-c2ccccc2)nc1S(=O)(=O)c1ccc(C)cc1 ZINC000008606692 571052415 /nfs/dbraw/zinc/05/24/15/571052415.db2.gz PVQIRCHVJRKQQJ-UHFFFAOYSA-N 0 2 372.515 4.720 50 0 FJAALN CCCSc1nc(-c2ccccc2)[nH]c1S(=O)(=O)c1ccc(C)cc1 ZINC000008606692 571052417 /nfs/dbraw/zinc/05/24/17/571052417.db2.gz PVQIRCHVJRKQQJ-UHFFFAOYSA-N 0 2 372.515 4.720 50 0 FJAALN Cc1sc2[nH]c(-c3ccc(O)c(Cl)c3)nc(=O)c2c1-c1ccccc1 ZINC000084026879 571066814 /nfs/dbraw/zinc/06/68/14/571066814.db2.gz FOINARQLUZLKPE-UHFFFAOYSA-N 0 2 368.845 4.986 50 0 FJAALN O=C(c1cnc2c(c1)OCc1ccc(Cl)cc1-2)c1cc(Cl)ccc1O ZINC000247852510 571125879 /nfs/dbraw/zinc/12/58/79/571125879.db2.gz HWUXNRYYGDNZLG-UHFFFAOYSA-N 0 2 372.207 4.884 50 0 FJAALN CCCc1cc2c(cc1O)oc(CCC)c(-c1ccc3c(c1)OCO3)c2=O ZINC000005904272 571204566 /nfs/dbraw/zinc/20/45/66/571204566.db2.gz QNTQBMLNNGJLCT-UHFFFAOYSA-N 0 2 366.413 4.799 50 0 FJAALN O=S(=O)(Nc1nc2c(cccc2Cl)s1)c1ccc2ccccc2c1 ZINC000000682891 219313211 /nfs/dbraw/zinc/31/32/11/219313211.db2.gz QAYQIGKOGVVODE-UHFFFAOYSA-N 0 2 374.874 4.904 50 0 FJAALN O=C1c2[nH]nc(-c3ccc(F)cc3)c2[C@H](c2ccccc2)N1c1ccccc1 ZINC000006691050 204260947 /nfs/dbraw/zinc/26/09/47/204260947.db2.gz KUMAQABVUFGWPC-QFIPXVFZSA-N 0 2 369.399 4.966 50 0 FJAALN CCC(C(=O)CCC(=O)Nc1ccc(Cl)cc1)=C(O)c1ccccc1 ZINC000100721986 205948085 /nfs/dbraw/zinc/94/80/85/205948085.db2.gz HZCDSUDBSKMJHK-QGZVFWFLSA-N 0 2 357.837 4.537 50 0 FJAALN COc1ccc2nc(Nc3nc4cc(OC)c(OC)cc4s3)sc2c1 ZINC000005122695 206190016 /nfs/dbraw/zinc/19/00/16/206190016.db2.gz LRIBAHUZOJUDIH-UHFFFAOYSA-N 0 2 373.459 4.675 50 0 FJAALN Cc1cc(C)c(OCC(=O)Nc2cc(Cl)c(O)c(Cl)c2)cc1C ZINC000000692890 570450809 /nfs/dbraw/zinc/45/08/09/570450809.db2.gz JNKLJDJPNYSAHH-UHFFFAOYSA-N 0 2 354.233 4.642 50 0 FJAALN Cc1ccc2nc(NS(=O)(=O)c3cc(Cl)ccc3Cl)sc2c1 ZINC000001181314 570489625 /nfs/dbraw/zinc/48/96/25/570489625.db2.gz BNIUFQGMAAEZCV-UHFFFAOYSA-N 0 2 373.286 4.712 50 0 FJAALN O=C1c2[nH]nc(-c3ccccc3)c2[C@@H](c2ccccc2F)N1c1ccccc1 ZINC000001198791 570491546 /nfs/dbraw/zinc/49/15/46/570491546.db2.gz BLDCSXVURSRSQP-JOCHJYFZSA-N 0 2 369.399 4.966 50 0 FJAALN Cc1[nH+]c2cc(C(=O)[O-])ccc2n1-c1ccc(OCc2ccccc2)cc1 ZINC000002944881 570544747 /nfs/dbraw/zinc/54/47/47/570544747.db2.gz XPXAVDOWNNEDMW-UHFFFAOYSA-N 0 2 358.397 4.611 50 0 FJAALN O=C1CC(c2ccccc2)=NN1c1nc(-c2ccc(Cl)cc2)cs1 ZINC000004180061 570580403 /nfs/dbraw/zinc/58/04/03/570580403.db2.gz DIYXDNIGIWACKQ-UHFFFAOYSA-N 0 2 353.834 4.605 50 0 FJAALN O=c1cc(-c2ccccc2)[nH]n1-c1nc(-c2ccc(Cl)cc2)cs1 ZINC000004180061 570580406 /nfs/dbraw/zinc/58/04/06/570580406.db2.gz DIYXDNIGIWACKQ-UHFFFAOYSA-N 0 2 353.834 4.605 50 0 FJAALN O=c1[nH]c(SCc2ccc(Cl)cc2Cl)nnc1-c1ccccc1 ZINC000011990966 570603800 /nfs/dbraw/zinc/60/38/00/570603800.db2.gz ZIPMQQWURHZEJI-UHFFFAOYSA-N 0 2 364.257 4.843 50 0 FJAALN Cc1ccccc1Oc1c(=O)c2ccc(O)c(C)c2oc1C(F)(F)F ZINC000005648556 570632599 /nfs/dbraw/zinc/63/25/99/570632599.db2.gz AWLUDJOSHLDZNA-UHFFFAOYSA-N 0 2 350.292 4.927 50 0 FJAALN O=C1c2[nH]nc(-c3ccccc3)c2[C@@H](c2ccc(F)cc2)N1c1ccccc1 ZINC000005248644 570638973 /nfs/dbraw/zinc/63/89/73/570638973.db2.gz HQGIHEHYJOSVLC-JOCHJYFZSA-N 0 2 369.399 4.966 50 0 FJAALN Cc1cc2oc3c(c2cc1NS(=O)(=O)c1cccs1)C[C@@H](C)CC3 ZINC000005516178 570666178 /nfs/dbraw/zinc/66/61/78/570666178.db2.gz FTRQJOOKNNXZIC-NSHDSACASA-N 0 2 361.488 4.728 50 0 FJAALN Fc1ccc(Nc2nnc(-c3ccc(Br)s3)o2)c(F)c1 ZINC000008512779 571078990 /nfs/dbraw/zinc/07/89/90/571078990.db2.gz AQULDABVKLCNDC-UHFFFAOYSA-N 0 2 358.167 4.582 50 0 FJAALN Oc1cc2oc3cc(O)c(Br)cc3c2cc1Br ZINC000043214967 571133087 /nfs/dbraw/zinc/13/30/87/571133087.db2.gz LUDGIEPZFQPKOG-UHFFFAOYSA-N 0 2 357.985 4.522 50 0 FJAALN CCOc1ccc(CC(=O)Nc2c(O)c(Cl)cc(Cl)c2Cl)cc1 ZINC000089991111 571274737 /nfs/dbraw/zinc/27/47/37/571274737.db2.gz NQRQPTUQJBYKTE-UHFFFAOYSA-N 0 2 374.651 4.932 50 0 FJAALN CCc1cc2c(=O)c(-c3ccccc3Cl)c(C)oc2c(COC)c1O ZINC000094993387 571328626 /nfs/dbraw/zinc/32/86/26/571328626.db2.gz CZFAJBDLPNKNKP-UHFFFAOYSA-N 0 2 358.821 4.836 50 0 FJAALN O=C(Nc1ccc(Br)cc1)c1cc(Cl)cc(Cl)c1O ZINC000000650734 210258361 /nfs/dbraw/zinc/25/83/61/210258361.db2.gz JKHOMOATKSYGAN-UHFFFAOYSA-N 0 2 361.022 4.714 50 0 FJAALN CCOc1ccccc1NS(=O)(=O)c1cccc2cccc(Cl)c21 ZINC000035685476 210170396 /nfs/dbraw/zinc/17/03/96/210170396.db2.gz NCEKQKUHKGPTFZ-UHFFFAOYSA-N 0 2 361.850 4.693 50 0 FJAALN CCOc1cc2[nH]c(=S)n(C3CCC(C)CC3)c(=O)c2cc1OCC ZINC000003010188 204073703 /nfs/dbraw/zinc/07/37/03/204073703.db2.gz ZZBYRVCWDKBRED-UHFFFAOYSA-N 0 2 362.495 4.608 50 0 FJAALN O=S(=O)(Nc1ccccc1-c1nc2ccccc2s1)c1cccs1 ZINC000003253382 204086066 /nfs/dbraw/zinc/08/60/66/204086066.db2.gz CPWPNUDLYSKWBT-UHFFFAOYSA-N 0 2 372.496 4.826 50 0 FJAALN CC[N@H+]1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C/c2ccccc2C)C1 ZINC000006561199 204253502 /nfs/dbraw/zinc/25/35/02/204253502.db2.gz NWPFDKHHEWKSJW-SFQUDFHCSA-N 0 2 358.441 4.618 50 0 FJAALN CC[N@@H+]1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C/c2ccccc2C)C1 ZINC000006561199 204253505 /nfs/dbraw/zinc/25/35/05/204253505.db2.gz NWPFDKHHEWKSJW-SFQUDFHCSA-N 0 2 358.441 4.618 50 0 FJAALN O=S(=O)(Nc1ccccc1)c1ccc(-c2cnc(C3CCCC3)o2)s1 ZINC000065004880 205314532 /nfs/dbraw/zinc/31/45/32/205314532.db2.gz XGJDERWWYJMYPA-UHFFFAOYSA-N 0 2 374.487 4.862 50 0 FJAALN CCc1c(C)sc2[nH]c(=S)n(Cc3ccc(Cl)cc3)c(=O)c12 ZINC000017072826 211176080 /nfs/dbraw/zinc/17/60/80/211176080.db2.gz BNRCYWFPUIQGDM-UHFFFAOYSA-N 0 2 350.896 4.693 50 0 FJAALN O=C(Nc1cc(Cl)c(O)c(Cl)c1)c1ccc(Br)cc1 ZINC000001147832 210325671 /nfs/dbraw/zinc/32/56/71/210325671.db2.gz SGDCQJYGXXGUSO-UHFFFAOYSA-N 0 2 361.022 4.714 50 0 FJAALN C[C@H]1CCC[N@@H+](c2ccc(NC(=O)c3cccc(Cl)c3)c(C(=O)[O-])c2)C1 ZINC000064589125 136133451 /nfs/dbraw/zinc/13/34/51/136133451.db2.gz GJQDDJPCXYRMMJ-ZDUSSCGKSA-N 0 2 372.852 4.527 50 0 FJAALN C[C@H]1CCC[N@H+](c2ccc(NC(=O)c3cccc(Cl)c3)c(C(=O)[O-])c2)C1 ZINC000064589125 136133452 /nfs/dbraw/zinc/13/34/52/136133452.db2.gz GJQDDJPCXYRMMJ-ZDUSSCGKSA-N 0 2 372.852 4.527 50 0 FJAALN CCOc1ccccc1Oc1c(=O)c2ccc(O)cc2oc1C(F)(F)F ZINC000005444758 570656665 /nfs/dbraw/zinc/65/66/65/570656665.db2.gz HXUMLKHADLLMBY-UHFFFAOYSA-N 0 2 366.291 4.708 50 0 FJAALN CCc1ccc(NC(=O)c2cc(-c3cc(Cl)c(C)cc3O)n[nH]2)cc1 ZINC000072238554 570994146 /nfs/dbraw/zinc/99/41/46/570994146.db2.gz BLVVJFKSRYNSGD-UHFFFAOYSA-N 0 2 355.825 4.559 50 0 FJAALN CC[C@]1(C)Cc2c(sc3[nH]c(=S)n(C4CCCCC4)c(=O)c32)CO1 ZINC000006197448 204240440 /nfs/dbraw/zinc/24/04/40/204240440.db2.gz DXGHJMJMJRGTHX-GOSISDBHSA-N 0 2 364.536 4.867 50 0 FJAALN COc1cc2c(cc1NS(=O)(=O)c1cccc(F)c1)oc1ccccc12 ZINC000006415866 204248853 /nfs/dbraw/zinc/24/88/53/204248853.db2.gz LOKIVMFIIGGNSQ-UHFFFAOYSA-N 0 2 371.389 4.535 50 0 FJAALN O=S(=O)(Nc1ccccc1Cc1ccccc1)c1ccc(Cl)s1 ZINC000002662152 206155893 /nfs/dbraw/zinc/15/58/93/206155893.db2.gz OWIKNZFPRGTZBZ-UHFFFAOYSA-N 0 2 363.891 4.793 50 0 FJAALN COc1cccc2sc(Nc3nc4c(s3)C(=O)CC(C)(C)C4)nc21 ZINC000004121606 206167775 /nfs/dbraw/zinc/16/77/75/206167775.db2.gz XUWTXKKAIAWDQA-UHFFFAOYSA-N 0 2 359.476 4.660 50 0 FJAALN COc1cccc2cc(C(=O)Nc3nc4c(s3)Cc3ccccc3-4)oc21 ZINC000008960549 206220939 /nfs/dbraw/zinc/22/09/39/206220939.db2.gz YXYDWNCSJHNDOR-UHFFFAOYSA-N 0 2 362.410 4.721 50 0 FJAALN Cc1ccc(-c2cc(C(=O)N(C)c3ccccc3)c3c(C)noc3n2)s1 ZINC000023200030 211379712 /nfs/dbraw/zinc/37/97/12/211379712.db2.gz DCKKMKKRMVCAKO-UHFFFAOYSA-N 0 2 363.442 4.845 50 0 FJAALN CCn1c2ccccc2c2cc(NS(=O)(=O)c3ccc(C)s3)ccc21 ZINC000014075620 211069989 /nfs/dbraw/zinc/06/99/89/211069989.db2.gz KRKVADZVTSNDHO-UHFFFAOYSA-N 0 2 370.499 4.985 50 0 FJAALN Cc1c(O)ccc2c(=O)c(Oc3ccccc3F)c(C(F)(F)F)oc12 ZINC000006765448 210697549 /nfs/dbraw/zinc/69/75/49/210697549.db2.gz MKQLWOWZLSXYKK-UHFFFAOYSA-N 0 2 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