smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(N2C(=O)c3[nH]nc(-c4ccccc4)c3[C@H]2c2ccc(Cl)cc2)cc1 ZINC000001413236 212243324 /nfs/dbraw/zinc/24/33/24/212243324.db2.gz VGZQDOCSLQVIRY-HSZRJFAPSA-N 0 2 399.881 5.788 50 0 GKAALN CC[N@H+]1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C\c2ccc(SC)cc2)C1 ZINC000033469827 212160794 /nfs/dbraw/zinc/16/07/94/212160794.db2.gz XAURXUWWDWVQHT-VBKFSLOCSA-N 0 2 390.508 5.031 50 0 GKAALN CC[N@@H+]1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C\c2ccc(SC)cc2)C1 ZINC000033469827 212160797 /nfs/dbraw/zinc/16/07/97/212160797.db2.gz XAURXUWWDWVQHT-VBKFSLOCSA-N 0 2 390.508 5.031 50 0 GKAALN CCC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccccc2OC)N3)C1 ZINC000004553435 204051625 /nfs/dbraw/zinc/05/16/25/204051625.db2.gz JUMOZTOPJUMVDT-DJJJIMSYSA-N 0 2 384.545 5.727 50 0 GKAALN C[C@@H](NC(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1)c1ccc2c(c1)CCCC2 ZINC000004550260 204051772 /nfs/dbraw/zinc/05/17/72/204051772.db2.gz TVRNNDJKQRRXEN-GOSISDBHSA-N 0 2 391.599 6.651 50 0 GKAALN Cc1cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)c(C)n1Cc1ccccc1 ZINC000004544575 204051814 /nfs/dbraw/zinc/05/18/14/204051814.db2.gz KBLGUPODBCYPKI-KGENOOAVSA-N 0 2 388.492 5.394 50 0 GKAALN O=C1c2[nH]nc(-c3ccccc3)c2[C@H](c2ccc(Cl)cc2)N1c1ccccc1 ZINC000008553775 204279952 /nfs/dbraw/zinc/27/99/52/204279952.db2.gz CYXAJHBRHUNWPW-QFIPXVFZSA-N 0 2 385.854 5.480 50 0 GKAALN O=c1cc(-c2ccccc2)oc2cc(OCc3cccc4ccccc43)cc(O)c12 ZINC000011865696 204357104 /nfs/dbraw/zinc/35/71/04/204357104.db2.gz OHAQJLIMJGSMIT-UHFFFAOYSA-N 0 2 394.426 5.898 50 0 biogenic GKAALN CC(C)c1ccc(NS(=O)(=O)c2ccc(-c3cnc(C4CC4)o3)s2)cc1 ZINC000065004131 205205502 /nfs/dbraw/zinc/20/55/02/205205502.db2.gz DFDLJLXMWRWVEH-UHFFFAOYSA-N 0 2 388.514 5.205 50 0 GKAALN Cc1cccc(NS(=O)(=O)c2ccc(-c3cnc(C4CCC4)o3)s2)c1C ZINC000065004283 205205885 /nfs/dbraw/zinc/20/58/85/205205885.db2.gz NJFXYZJWJHYQDO-UHFFFAOYSA-N 0 2 388.514 5.088 50 0 GKAALN CCc1csc(-c2ccc(S(=O)(=O)Nc3cccc(Cl)c3C)s2)n1 ZINC000064769310 205195421 /nfs/dbraw/zinc/19/54/21/205195421.db2.gz UGEPCSABLRWZIL-UHFFFAOYSA-N 0 2 398.962 5.197 50 0 GKAALN CCc1cc2c(cc1O)oc(-c1ccccc1)c(-c1nc3ccccc3n1C)c2=O ZINC000011867612 206294378 /nfs/dbraw/zinc/29/43/78/206294378.db2.gz SQEPBCAWGMMFCA-UHFFFAOYSA-N 0 2 396.446 5.282 50 0 GKAALN CC(C)(C)[C@H]1CCc2oc3ccc(NS(=O)(=O)c4cccs4)cc3c2C1 ZINC000000944468 206335567 /nfs/dbraw/zinc/33/55/67/206335567.db2.gz SSIITVQMCCAEOU-ZDUSSCGKSA-N 0 2 389.542 5.446 50 0 GKAALN CCCCCCn1c2ccccc2c(O)c(C(=O)Nc2c(C)cccc2C)c1=O ZINC000100658473 211388671 /nfs/dbraw/zinc/38/86/71/211388671.db2.gz MGJWTCZEHCQJET-UHFFFAOYSA-N 0 2 392.499 5.157 50 0 GKAALN Cc1ccc2nc(-c3ccccc3NS(=O)(=O)c3ccccc3F)ccc2c1 ZINC000033113764 207438123 /nfs/dbraw/zinc/43/81/23/207438123.db2.gz NLONKWVQDKABKM-UHFFFAOYSA-N 0 2 392.455 5.150 50 0 GKAALN Cc1cc(O)c(-c2cc(C(=O)Nc3ccc(C(C)C)c(C)c3)[nH]n2)cc1Cl ZINC000072427516 208021875 /nfs/dbraw/zinc/02/18/75/208021875.db2.gz HLZKADFSRZNMFD-UHFFFAOYSA-N 0 2 383.879 5.428 50 0 GKAALN Cc1nc(-c2csc(S(=O)(=O)Nc3ccccc3C(C)C)c2)sc1C ZINC000033297642 221785155 /nfs/dbraw/zinc/78/51/55/221785155.db2.gz AUUZZPPJJWHBFX-UHFFFAOYSA-N 0 2 392.571 5.413 50 0 GKAALN Cc1ccc2nc(-c3ccc(NS(=O)(=O)c4cccs4)cc3)sc2c1 ZINC000001040199 570237217 /nfs/dbraw/zinc/23/72/17/570237217.db2.gz KLTBEQXYYPJCGK-UHFFFAOYSA-N 0 2 386.523 5.134 50 0 GKAALN O=C(C=C(O)c1ccccc1)[C@@H](C(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000101515334 570283833 /nfs/dbraw/zinc/28/38/33/570283833.db2.gz FSQWXBNXGNTTNK-QFIPXVFZSA-N 0 2 376.839 5.149 50 0 GKAALN Oc1c(Cl)c2c(c(Cl)c1Cl)O[C@H](Nc1ccc3ncccc3c1)C2 ZINC000000658544 570285776 /nfs/dbraw/zinc/28/57/76/570285776.db2.gz LWMBYLUUEPPNSM-LBPRGKRZSA-N 0 2 381.646 5.274 50 0 GKAALN O=S(=O)(Nc1ccccc1Oc1ccccc1)c1cc(Cl)ccc1Cl ZINC000002772321 570300134 /nfs/dbraw/zinc/30/01/34/570300134.db2.gz FMVXOGHOIXRRPB-UHFFFAOYSA-N 0 2 394.279 5.587 50 0 GKAALN Cc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(Cl)cc2)N(c2ccccc2)C3=O)cc1 ZINC000004870412 570351703 /nfs/dbraw/zinc/35/17/03/570351703.db2.gz UHFPGEQDECGQRI-HSZRJFAPSA-N 0 2 399.881 5.788 50 0 GKAALN CC(C)(C)c1ccc(Cc2nnc(SCc3ccc(Cl)cc3)[nH]c2=O)cc1 ZINC000024747881 570391033 /nfs/dbraw/zinc/39/10/33/570391033.db2.gz YIWSRKNKKNIWNV-UHFFFAOYSA-N 0 2 399.947 5.411 50 0 GKAALN Cc1csc(Nc2nccc(-c3cnc(-c4ccc(Cl)cc4)s3)n2)n1 ZINC000221596194 570396955 /nfs/dbraw/zinc/39/69/55/570396955.db2.gz PMKVLJABWXMDMY-UHFFFAOYSA-N 0 2 385.905 5.429 50 0 GKAALN Cc1ccccc1NS(=O)(=O)c1cc(-c2nc(C(C)(C)C)cs2)cs1 ZINC000033297778 570405206 /nfs/dbraw/zinc/40/52/06/570405206.db2.gz VLDHLEFBBHOTIU-UHFFFAOYSA-N 0 2 392.571 5.278 50 0 GKAALN Cc1cc(O)c(-c2cc(C(=O)Nc3ccc4ccccc4c3)[nH]n2)cc1Cl ZINC000072238538 570410782 /nfs/dbraw/zinc/41/07/82/570410782.db2.gz SRJBOKOKXJQFCP-UHFFFAOYSA-N 0 2 377.831 5.150 50 0 GKAALN Cc1ccc(-c2n[nH]c3c2[C@H](c2ccccc2)N(c2ccc(F)cc2)C3=O)cc1 ZINC000005248975 570432421 /nfs/dbraw/zinc/43/24/21/570432421.db2.gz QRLXAPQVRKIHEC-QHCPKHFHSA-N 0 2 383.426 5.274 50 0 GKAALN Cc1ccc(C)c(NS(=O)(=O)c2ccc(-c3nc(C(C)C)cs3)s2)c1 ZINC000064769455 570541602 /nfs/dbraw/zinc/54/16/02/570541602.db2.gz RUZVOONESDXJKR-UHFFFAOYSA-N 0 2 392.571 5.413 50 0 GKAALN Cc1cc(C)cc(NS(=O)(=O)c2ccc(-c3cnc(C4CCC4)o3)s2)c1 ZINC000065004394 570644609 /nfs/dbraw/zinc/64/46/09/570644609.db2.gz VJQAKVXHDNLYDP-UHFFFAOYSA-N 0 2 388.514 5.088 50 0 GKAALN Cc1ccc(-c2n[nH]c3c2[C@H](c2ccc(C)cc2)N(c2ccc(F)cc2)C3=O)cc1 ZINC000001084295 570751514 /nfs/dbraw/zinc/75/15/14/570751514.db2.gz RBNKPJQRXMSNJW-DEOSSOPVSA-N 0 2 397.453 5.582 50 0 GKAALN Cc1cc(C)cc(NC(=O)Nc2c(=O)oc3ccccc3c2NC2CCCC2)c1 ZINC000101094277 570810901 /nfs/dbraw/zinc/81/09/01/570810901.db2.gz YJICZMBOOAVKGY-UHFFFAOYSA-N 0 2 391.471 5.408 50 0 GKAALN CCC(C)(C)[C@H]1CCc2c(sc3[nH]c(=S)n(Cc4ccccc4)c(=O)c23)C1 ZINC000003885795 204021757 /nfs/dbraw/zinc/02/17/57/204021757.db2.gz SWEFWJOLTXASBT-HNNXBMFYSA-N 0 2 398.597 5.710 50 0 GKAALN CCC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccccc2OC)N3)C1 ZINC000004553436 204051683 /nfs/dbraw/zinc/05/16/83/204051683.db2.gz JUMOZTOPJUMVDT-BFUOFWGJSA-N 0 2 384.545 5.727 50 0 GKAALN O=C(Cc1ccc(Cl)cc1)Nc1ccc(O)c(-c2nc3ccccc3o2)c1 ZINC000004547391 204051880 /nfs/dbraw/zinc/05/18/80/204051880.db2.gz QFKUMVFJVZOQIA-UHFFFAOYSA-N 0 2 378.815 5.035 50 0 GKAALN CCC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2cccc(Cl)c2)N3)C1 ZINC000004545534 204051926 /nfs/dbraw/zinc/05/19/26/204051926.db2.gz VFZSRACNZFUIHX-ACJLOTCBSA-N 0 2 388.964 6.372 50 0 GKAALN c1sc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)nc1-c1ccccc1 ZINC000004548622 204052039 /nfs/dbraw/zinc/05/20/39/204052039.db2.gz UKTYCRHHVOYINC-HSZRJFAPSA-N 0 2 381.504 6.166 50 0 GKAALN CC[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2cc4c(cc2Cl)OCO4)N3)C1 ZINC000004545475 204052159 /nfs/dbraw/zinc/05/21/59/204052159.db2.gz GSFJDSDPCZEETE-XYZCENFISA-N 0 2 390.892 5.074 50 0 GKAALN Cc1ccc([C@@H]2c3c(-c4ccc(Cl)cc4)n[nH]c3C(=O)N2c2ccccc2)cc1 ZINC000005728603 204148294 /nfs/dbraw/zinc/14/82/94/204148294.db2.gz JOROQOOBUBBEQT-HSZRJFAPSA-N 0 2 399.881 5.788 50 0 GKAALN CC[N@H+]1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C/c2ccc3ccccc3c2)C1 ZINC000006429682 204178559 /nfs/dbraw/zinc/17/85/59/204178559.db2.gz GOFQWMKFACRZPT-XSFVSMFZSA-N 0 2 394.474 5.462 50 0 GKAALN CC[N@@H+]1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C/c2ccc3ccccc3c2)C1 ZINC000006429682 204178563 /nfs/dbraw/zinc/17/85/63/204178563.db2.gz GOFQWMKFACRZPT-XSFVSMFZSA-N 0 2 394.474 5.462 50 0 GKAALN O=c1c2ccc(O)cc2oc(C(F)(F)F)c1-c1csc(-c2ccccc2)n1 ZINC000006454539 204178840 /nfs/dbraw/zinc/17/88/40/204178840.db2.gz CPKVSSZNKCBDRT-UHFFFAOYSA-N 0 2 389.354 5.308 50 0 GKAALN Cc1ccc(F)cc1NS(=O)(=O)c1ccc(-c2nc(C(C)C)cs2)s1 ZINC000064769487 205195276 /nfs/dbraw/zinc/19/52/76/205195276.db2.gz RNOBOGQMXRCWEK-UHFFFAOYSA-N 0 2 396.534 5.243 50 0 GKAALN Cc1cccc(NS(=O)(=O)c2ccc(-c3nc(C(C)C)cs3)s2)c1 ZINC000064769497 205195808 /nfs/dbraw/zinc/19/58/08/205195808.db2.gz TZHIZMDLIMIABG-UHFFFAOYSA-N 0 2 378.544 5.104 50 0 GKAALN C[C@H]1CCc2oc3c(cc(NS(=O)(=O)c4cccs4)c4ccccc34)c2C1 ZINC000000944470 206335669 /nfs/dbraw/zinc/33/56/69/206335669.db2.gz ZSJWQYLKXQJCRX-ZDUSSCGKSA-N 0 2 397.521 5.573 50 0 GKAALN C[C@@H]1CCc2oc3c(cc(NS(=O)(=O)c4cccs4)c4ccccc34)c2C1 ZINC000000944471 206336071 /nfs/dbraw/zinc/33/60/71/206336071.db2.gz ZSJWQYLKXQJCRX-CYBMUJFWSA-N 0 2 397.521 5.573 50 0 GKAALN Cc1cc(O)c(-c2cc(C(=O)Nc3ccccc3C(F)(F)F)[nH]n2)cc1Cl ZINC000072427481 211117881 /nfs/dbraw/zinc/11/78/81/211117881.db2.gz UHYJKGJFCZPEBD-UHFFFAOYSA-N 0 2 395.768 5.015 50 0 GKAALN Cc1nc2c(ccc3nc(Nc4nc5c(cc(F)cc5F)s4)sc32)s1 ZINC000004137805 208538776 /nfs/dbraw/zinc/53/87/76/208538776.db2.gz FODIREXOBUWZNN-UHFFFAOYSA-N 0 2 390.465 5.846 50 0 GKAALN Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc(-c2cnc(C3CC3)o2)s1 ZINC000065004018 222093681 /nfs/dbraw/zinc/09/36/81/222093681.db2.gz LBCWZXALWYEKNA-UHFFFAOYSA-N 0 2 394.905 5.043 50 0 GKAALN CCCc1ccccc1NS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000095951311 222364401 /nfs/dbraw/zinc/36/44/01/222364401.db2.gz INZAMAZVWGBDDO-UHFFFAOYSA-N 0 2 378.708 5.400 50 0 GKAALN Cc1cc(-c2c(C)[nH]n(-c3ccc(Cl)cc3)c2=O)n(-c2ccc(Cl)cc2)n1 ZINC000100334457 570271254 /nfs/dbraw/zinc/27/12/54/570271254.db2.gz HUHCPQJSXDMLKH-UHFFFAOYSA-N 0 2 399.281 5.354 50 0 GKAALN O=C(C=C(O)c1ccccc1)[C@H](C(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000101515341 570283850 /nfs/dbraw/zinc/28/38/50/570283850.db2.gz FSQWXBNXGNTTNK-JOCHJYFZSA-N 0 2 376.839 5.149 50 0 GKAALN CC[N@H+]1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C/c2ccc(SC)cc2)C1 ZINC000006788382 570284009 /nfs/dbraw/zinc/28/40/09/570284009.db2.gz XAURXUWWDWVQHT-FOWTUZBSSA-N 0 2 390.508 5.031 50 0 GKAALN CC[N@@H+]1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C/c2ccc(SC)cc2)C1 ZINC000006788382 570284010 /nfs/dbraw/zinc/28/40/10/570284010.db2.gz XAURXUWWDWVQHT-FOWTUZBSSA-N 0 2 390.508 5.031 50 0 GKAALN O=c1c2c(-c3ccccc3Cl)csc2[nH]c(=S)n1Cc1ccccc1 ZINC000002654176 570292958 /nfs/dbraw/zinc/29/29/58/570292958.db2.gz IPSBQKPPFFKPOB-UHFFFAOYSA-N 0 2 384.913 5.489 50 0 GKAALN O=c1c2c(-c3ccccc3Cl)csc2[nH]c(=S)n1CCc1ccccc1 ZINC000003887254 570353439 /nfs/dbraw/zinc/35/34/39/570353439.db2.gz OMRPJLXGSLZCJN-UHFFFAOYSA-N 0 2 398.940 5.310 50 0 GKAALN CSc1[nH]nc(-c2ccc(Cl)cc2)c1SC(=O)c1c(F)cccc1F ZINC000004335889 570369161 /nfs/dbraw/zinc/36/91/61/570369161.db2.gz QBQSMHSWXVSKEI-UHFFFAOYSA-N 0 2 396.871 5.663 50 0 GKAALN CCc1ccc(NS(=O)(=O)c2cc(-c3nc(C(C)C)cs3)cs2)cc1 ZINC000033297713 570405220 /nfs/dbraw/zinc/40/52/20/570405220.db2.gz LWONJDCQJOJNLA-UHFFFAOYSA-N 0 2 392.571 5.358 50 0 GKAALN CSc1ccc2nc(Nc3nc4ccc(NC(C)=O)cc4s3)sc2c1 ZINC000005122740 570420811 /nfs/dbraw/zinc/42/08/11/570420811.db2.gz JNYNHWYMKMVKMY-UHFFFAOYSA-N 0 2 386.527 5.330 50 0 GKAALN Cc1ccc(-c2n[nH]c3c2[C@@H](c2cccc(F)c2)N(c2ccccc2)C3=O)cc1 ZINC000005249122 570432283 /nfs/dbraw/zinc/43/22/83/570432283.db2.gz URHBKQBUDUPOEQ-HSZRJFAPSA-N 0 2 383.426 5.274 50 0 GKAALN Cc1ccc([C@H]2c3c(-c4ccc(Cl)cc4)n[nH]c3C(=O)N2c2ccccc2)cc1 ZINC000005728610 570453532 /nfs/dbraw/zinc/45/35/32/570453532.db2.gz JOROQOOBUBBEQT-QHCPKHFHSA-N 0 2 399.881 5.788 50 0 GKAALN O=C1c2[nH]nc(-c3ccccc3)c2[C@@H](c2ccccc2Cl)N1c1ccccc1 ZINC000006720212 570548587 /nfs/dbraw/zinc/54/85/87/570548587.db2.gz KIWYVMSPGRRJBF-JOCHJYFZSA-N 0 2 385.854 5.480 50 0 GKAALN Cc1ccc(C)c(NS(=O)(=O)c2ccc(-c3cnc(C4CCC4)o3)s2)c1 ZINC000065004368 570644671 /nfs/dbraw/zinc/64/46/71/570644671.db2.gz OKCJVUOKGHFNNM-UHFFFAOYSA-N 0 2 388.514 5.088 50 0 GKAALN Cc1ccccc1NS(=O)(=O)c1ccc(-c2cnc(C3CCCC3)o2)s1 ZINC000065004706 570757691 /nfs/dbraw/zinc/75/76/91/570757691.db2.gz MGCQVILSZPQOGM-UHFFFAOYSA-N 0 2 388.514 5.170 50 0 GKAALN CC[N@H+]1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C\c2ccc(C(C)C)cc2)C1 ZINC000097993216 570775443 /nfs/dbraw/zinc/77/54/43/570775443.db2.gz RUIANJMLZWVXPL-UYRXBGFRSA-N 0 2 386.495 5.433 50 0 GKAALN CC[N@@H+]1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C\c2ccc(C(C)C)cc2)C1 ZINC000097993216 570775447 /nfs/dbraw/zinc/77/54/47/570775447.db2.gz RUIANJMLZWVXPL-UYRXBGFRSA-N 0 2 386.495 5.433 50 0 GKAALN Cc1cc(-c2nc3ccccc3s2)ccc1NS(=O)(=O)c1ccccc1F ZINC000033169127 570834503 /nfs/dbraw/zinc/83/45/03/570834503.db2.gz VSEHVWJVLJQBOR-UHFFFAOYSA-N 0 2 398.484 5.212 50 0 GKAALN Cc1cc2c([nH]c(=S)n(CCC(c3ccccc3)c3ccccc3)c2=O)s1 ZINC000017080271 570940802 /nfs/dbraw/zinc/94/08/02/570940802.db2.gz UJRHSGBYLICEOF-UHFFFAOYSA-N 0 2 392.549 5.651 50 0 GKAALN CC(C)(C)c1csc(-c2csc(S(=O)(=O)Nc3ccc(F)cc3)c2)n1 ZINC000033297771 570961940 /nfs/dbraw/zinc/96/19/40/570961940.db2.gz RJJFTELHNGBIQS-UHFFFAOYSA-N 0 2 396.534 5.109 50 0 GKAALN O=c1c2c3c(sc2[nH]c(=S)n1CC1CCCCC1)-c1ccccc1CC3 ZINC000004811518 570998745 /nfs/dbraw/zinc/99/87/45/570998745.db2.gz OJRPXAQWRMAIRG-UHFFFAOYSA-N 0 2 382.554 5.466 50 0 GKAALN CSc1ccccc1NC(=S)Nc1ccc(Br)cc1Cl ZINC000002853477 209391344 /nfs/dbraw/zinc/39/13/44/209391344.db2.gz NPZRDPCPNQTKDS-UHFFFAOYSA-N 0 2 387.755 5.633 50 0 GKAALN CCCCn1c(C)c(C(=O)OCC)c2c1c(Cl)c(Cl)c(Cl)c2O ZINC000002067691 212263075 /nfs/dbraw/zinc/26/30/75/212263075.db2.gz JUAXPFDRBDMLDA-UHFFFAOYSA-N 0 2 378.683 5.592 50 0 GKAALN Cc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1ccc(Cl)cc1Cl ZINC000004550223 204051896 /nfs/dbraw/zinc/05/18/96/204051896.db2.gz AZWSRTKSJUUJNL-UHFFFAOYSA-N 0 2 397.261 6.362 50 0 GKAALN CCC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cccc(Cl)c2)N3)C1 ZINC000004545536 204051922 /nfs/dbraw/zinc/05/19/22/204051922.db2.gz VFZSRACNZFUIHX-FZKQIMNGSA-N 0 2 388.964 6.372 50 0 GKAALN CCCCn1c2ccccc2nc1SCC(=O)c1ccc(Cl)cc1Cl ZINC000004547232 204052027 /nfs/dbraw/zinc/05/20/27/204052027.db2.gz LBSSIZPKOYKAAY-UHFFFAOYSA-N 0 2 393.339 6.118 50 0 GKAALN CC[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2c(Cl)cccc2Cl)N3)C1 ZINC000004545485 204052031 /nfs/dbraw/zinc/05/20/31/204052031.db2.gz VLTOYWRITCLZGX-XXFAHNHDSA-N 0 2 381.328 5.999 50 0 GKAALN COc1ccc(CCC2CCN(c3nc(-c4ccccc4)cs3)CC2)cc1 ZINC000004547209 204052464 /nfs/dbraw/zinc/05/24/64/204052464.db2.gz XLFYOHKUOLJCJB-UHFFFAOYSA-N 0 2 378.541 5.668 50 0 GKAALN O=C1c2[nH]nc(-c3ccc(F)cc3)c2[C@H](c2ccc(F)cc2)N1c1ccccc1 ZINC000008553718 204279812 /nfs/dbraw/zinc/27/98/12/204279812.db2.gz IRCVJAVEYMXIPT-QFIPXVFZSA-N 0 2 387.389 5.105 50 0 GKAALN CCc1ccccc1NS(=O)(=O)c1ccc(-c2cnc(C3CCC3)o2)s1 ZINC000065004291 205205963 /nfs/dbraw/zinc/20/59/63/205205963.db2.gz WADBQJLKFQUDSR-UHFFFAOYSA-N 0 2 388.514 5.034 50 0 GKAALN Cc1ccc(NS(=O)(=O)c2ccc(-c3cnc(C4CCCC4)o3)s2)cc1 ZINC000065004857 205206315 /nfs/dbraw/zinc/20/63/15/205206315.db2.gz QGUDMEDQHNSDRV-UHFFFAOYSA-N 0 2 388.514 5.170 50 0 GKAALN CC[N@H+]1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C\c2ccc3ccccc3c2)C1 ZINC000097993222 206125462 /nfs/dbraw/zinc/12/54/62/206125462.db2.gz GOFQWMKFACRZPT-ZHZULCJRSA-N 0 2 394.474 5.462 50 0 GKAALN CC[N@@H+]1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C\c2ccc3ccccc3c2)C1 ZINC000097993222 206125468 /nfs/dbraw/zinc/12/54/68/206125468.db2.gz GOFQWMKFACRZPT-ZHZULCJRSA-N 0 2 394.474 5.462 50 0 GKAALN CCCOc1cc(C)c(C(C)C)cc1S(=O)(=O)Nc1cnc2ccccc2c1 ZINC000072414309 211115920 /nfs/dbraw/zinc/11/59/20/211115920.db2.gz CXIUBMZQUZKNGW-UHFFFAOYSA-N 0 2 398.528 5.256 50 0 GKAALN Oc1c(Cl)cc(Cl)cc1-c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 ZINC000016491950 208149967 /nfs/dbraw/zinc/14/99/67/208149967.db2.gz LAVBYSAPHIGEFC-UHFFFAOYSA-N 0 2 381.262 6.423 50 0 GKAALN Cc1ccc(-c2n[nH]c3c2[C@H](c2ccc(F)cc2)N(c2ccccc2)C3=O)cc1 ZINC000009349988 221078309 /nfs/dbraw/zinc/07/83/09/221078309.db2.gz KDECGVBBKMBKNY-QHCPKHFHSA-N 0 2 383.426 5.274 50 0 GKAALN Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(-c2cnc(C3CC3)o2)s1 ZINC000065004022 222093831 /nfs/dbraw/zinc/09/38/31/222093831.db2.gz DUQZHKXBJHWKII-UHFFFAOYSA-N 0 2 394.905 5.043 50 0 GKAALN Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(-c2cnc(C3CC3)o2)s1 ZINC000065004088 222093947 /nfs/dbraw/zinc/09/39/47/222093947.db2.gz SFROXIDIGKHFRW-UHFFFAOYSA-N 0 2 394.905 5.043 50 0 GKAALN Cc1cc(O)c(-c2cc(C(=O)Nc3cccc4ccccc43)[nH]n2)cc1Cl ZINC000072427472 222259932 /nfs/dbraw/zinc/25/99/32/222259932.db2.gz YEVPGWHCKAXNTH-UHFFFAOYSA-N 0 2 377.831 5.150 50 0 GKAALN Cc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3)c(-c3ccccc3)o2)cc1 ZINC000002452206 570287686 /nfs/dbraw/zinc/28/76/86/570287686.db2.gz LPFPEFZXYIGJTG-UHFFFAOYSA-N 0 2 390.464 5.118 50 0 GKAALN Cc1ccc(-c2n[nH]c3c2[C@H](c2ccc(Cl)cc2)N(c2ccccc2)C3=O)cc1 ZINC000004870413 570351563 /nfs/dbraw/zinc/35/15/63/570351563.db2.gz UHFPGEQDECGQRI-QHCPKHFHSA-N 0 2 399.881 5.788 50 0 GKAALN O=C1c2[nH]nc(-c3ccc(F)cc3)c2[C@@H](c2cccc(F)c2)N1c1ccccc1 ZINC000004909110 570362088 /nfs/dbraw/zinc/36/20/88/570362088.db2.gz UGANGUWGWRIHAJ-JOCHJYFZSA-N 0 2 387.389 5.105 50 0 GKAALN Cc1ccc(-c2n[nH]c3c2[C@@H](c2ccccc2)N(c2ccc(Cl)cc2)C3=O)cc1 ZINC000004928636 570371303 /nfs/dbraw/zinc/37/13/03/570371303.db2.gz LKBTVPVBTLFQEU-HSZRJFAPSA-N 0 2 399.881 5.788 50 0 GKAALN CCCOc1ccc(Nc2c(C(=O)[O-])c[nH+]c3c2cccc3C(F)(F)F)cc1 ZINC000005009064 570393958 /nfs/dbraw/zinc/39/39/58/570393958.db2.gz MAYWAXWEXSMISA-UHFFFAOYSA-N 0 2 390.361 5.484 50 0 GKAALN Cc1csc(Nc2nccc(-c3sc(-c4ccc(Cl)cc4)nc3C)n2)n1 ZINC000221561132 570396601 /nfs/dbraw/zinc/39/66/01/570396601.db2.gz DVXKHJSDDBQHMS-UHFFFAOYSA-N 0 2 399.932 5.737 50 0 GKAALN COc1ccc2sc(Nc3nc4ccc5sc(C)nc5c4s3)nc2c1 ZINC000005122832 570420773 /nfs/dbraw/zinc/42/07/73/570420773.db2.gz WVJQVQZDBSOQEE-UHFFFAOYSA-N 0 2 384.511 5.576 50 0 GKAALN COc1ccc2sc(Nc3nc4ccc(Br)cc4s3)nc2c1 ZINC000005122706 570421682 /nfs/dbraw/zinc/42/16/82/570421682.db2.gz JPXGLONCLVYVCR-UHFFFAOYSA-N 0 2 392.303 5.421 50 0 GKAALN Cc1ccc(-c2n[nH]c3c2[C@@H](c2ccccc2)N(c2ccc(F)cc2)C3=O)cc1 ZINC000005248974 570432457 /nfs/dbraw/zinc/43/24/57/570432457.db2.gz QRLXAPQVRKIHEC-HSZRJFAPSA-N 0 2 383.426 5.274 50 0 GKAALN CCc1ccc(Oc2c(=O)c3cc(CC)c(O)cc3oc2C(F)(F)F)cc1 ZINC000005444934 570440005 /nfs/dbraw/zinc/44/00/05/570440005.db2.gz STTUITRVYZXQBW-UHFFFAOYSA-N 0 2 378.346 5.435 50 0 GKAALN O=c1nc[nH]c2c1sc1nc(-c3cccs3)cc(-c3ccc(Cl)cc3)c12 ZINC000005491279 570613423 /nfs/dbraw/zinc/61/34/23/570613423.db2.gz VHEBNXHYWIJTPN-UHFFFAOYSA-N 0 2 395.896 5.582 50 0 GKAALN O=c1c2ccccc2c2ccccc2c(O)c1-c1ccc(OC(F)(F)F)cc1 ZINC000004602556 570659803 /nfs/dbraw/zinc/65/98/03/570659803.db2.gz XOGFDZPVQQWDBJ-UHFFFAOYSA-N 0 2 382.337 5.415 50 0 GKAALN CC(C)(C)c1ccc(C(=O)NC(=S)Nc2cc(Cl)c(O)c(Cl)c2)cc1 ZINC000004679989 570729190 /nfs/dbraw/zinc/72/91/90/570729190.db2.gz PINZBRBXMAWSAB-UHFFFAOYSA-N 0 2 397.327 5.123 50 0 GKAALN Cc1ccc(-c2n[nH]c3c2[C@H](c2ccc(C)cc2)N(c2ccccc2)C3=O)cc1 ZINC000004386787 570731230 /nfs/dbraw/zinc/73/12/30/570731230.db2.gz DGKPKKSFPGDPDZ-DEOSSOPVSA-N 0 2 379.463 5.443 50 0 GKAALN CC(C)c1ccc([C@@H]2c3c(-c4ccccc4)n[nH]c3C(=O)N2c2ccccc2)cc1 ZINC000001097838 570752634 /nfs/dbraw/zinc/75/26/34/570752634.db2.gz RLBIPSZTWUNLEK-RUZDIDTESA-N 0 2 393.490 5.950 50 0 GKAALN Cc1ccc2nc(-c3ccccc3NS(=O)(=O)c3cccs3)ccc2c1 ZINC000033113761 570812312 /nfs/dbraw/zinc/81/23/12/570812312.db2.gz BUDVXLDEQRQFGQ-UHFFFAOYSA-N 0 2 380.494 5.073 50 0 GKAALN Cc1ccc2nc(-c3ccc(NS(=O)(=O)c4ccccc4F)cc3)sc2c1 ZINC000033169166 570834465 /nfs/dbraw/zinc/83/44/65/570834465.db2.gz XDHSQQFWCXACFY-UHFFFAOYSA-N 0 2 398.484 5.212 50 0 GKAALN CSc1ccc(NS(=O)(=O)c2cc(-c3nc(C)c(C)s3)cs2)cc1 ZINC000033297675 570962068 /nfs/dbraw/zinc/96/20/68/570962068.db2.gz PZRWTSXELSIGLX-UHFFFAOYSA-N 0 2 396.584 5.011 50 0 GKAALN Cc1ccc(NS(=O)(=O)c2cc(-c3nc(C(C)C)cs3)cs2)c(C)c1 ZINC000033297720 570962137 /nfs/dbraw/zinc/96/21/37/570962137.db2.gz FDNXQTGTRDEQNO-UHFFFAOYSA-N 0 2 392.571 5.413 50 0 GKAALN Cc1nnc(NS(=O)(=O)c2c(C(C)C)cc(C(C)C)cc2C(C)C)s1 ZINC000001061945 209294995 /nfs/dbraw/zinc/29/49/95/209294995.db2.gz JPESGOCVIGKDRY-UHFFFAOYSA-N 0 2 381.567 5.018 50 0 GKAALN O=C(NC(=O)c1ccccc1Cl)OCc1cccc(Oc2ccccc2)c1 ZINC000001048938 209294330 /nfs/dbraw/zinc/29/43/30/209294330.db2.gz YPYFAXUAZOGBFN-UHFFFAOYSA-N 0 2 381.815 5.199 50 0 GKAALN Cc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(C)cc2)N(c2ccc(F)cc2)C3=O)cc1 ZINC000001084296 212215512 /nfs/dbraw/zinc/21/55/12/212215512.db2.gz RBNKPJQRXMSNJW-XMMPIXPASA-N 0 2 397.453 5.582 50 0 GKAALN CCC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccccc2Cl)N3)C1 ZINC000004545531 204051956 /nfs/dbraw/zinc/05/19/56/204051956.db2.gz RZPIGTDPKPTODF-SGTLLEGYSA-N 0 2 388.964 6.372 50 0 GKAALN Cc1c(Cl)ccc2c(C(=O)NCc3ccccc3)cc(-c3ccccc3)nc12 ZINC000004553954 204052580 /nfs/dbraw/zinc/05/25/80/204052580.db2.gz VFSWAGSJTRNBFZ-UHFFFAOYSA-N 0 2 386.882 5.794 50 0 GKAALN CC[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2c(Cl)cccc2Cl)N3)C1 ZINC000004545483 204052586 /nfs/dbraw/zinc/05/25/86/204052586.db2.gz VLTOYWRITCLZGX-FVMDXXJSSA-N 0 2 381.328 5.999 50 0 GKAALN CC[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2c(Cl)cccc2Cl)N3)C1 ZINC000004545482 204052590 /nfs/dbraw/zinc/05/25/90/204052590.db2.gz VLTOYWRITCLZGX-ABKXIKBNSA-N 0 2 381.328 5.999 50 0 GKAALN CCc1csc(-c2ccc(S(=O)(=O)Nc3cc(Cl)ccc3C)s2)n1 ZINC000064769294 205194835 /nfs/dbraw/zinc/19/48/35/205194835.db2.gz IZJSJUMVEKEIEJ-UHFFFAOYSA-N 0 2 398.962 5.197 50 0 GKAALN Cc1cc(O)c(-c2cc(C(=O)Nc3cccc(C(F)(F)F)c3)[nH]n2)cc1Cl ZINC000072427463 205348828 /nfs/dbraw/zinc/34/88/28/205348828.db2.gz UIRYWDHPZGNDEW-UHFFFAOYSA-N 0 2 395.768 5.015 50 0 GKAALN CCCCc1ccc(NS(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)cc1 ZINC000095953143 211286603 /nfs/dbraw/zinc/28/66/03/211286603.db2.gz KSBVZOLXNPGKKQ-UHFFFAOYSA-N 0 2 392.735 5.790 50 0 GKAALN Cc1cc(C)cc(NS(=O)(=O)c2cc(-c3nc(C(C)C)cs3)cs2)c1 ZINC000033297723 210639704 /nfs/dbraw/zinc/63/97/04/210639704.db2.gz AONFMINSXGXCAH-UHFFFAOYSA-N 0 2 392.571 5.413 50 0 GKAALN O=c1c2c3c(sc2[nH]c(=S)n1Cc1ccc(Cl)cc1)CCCCC3 ZINC000017077119 221376469 /nfs/dbraw/zinc/37/64/69/221376469.db2.gz VLNHJVOAXBUHPQ-UHFFFAOYSA-N 0 2 376.934 5.091 50 0 GKAALN Oc1c(Cl)cc(NC(=S)Nc2ccc(Br)cc2)cc1Cl ZINC000017080058 221378520 /nfs/dbraw/zinc/37/85/20/221378520.db2.gz IXNOSSZUZCOJEJ-UHFFFAOYSA-N 0 2 392.105 5.270 50 0 GKAALN O=S(=O)(Nc1ccc(F)cc1)c1ccc(-c2cnc(C3CCCC3)o2)s1 ZINC000065004662 222095062 /nfs/dbraw/zinc/09/50/62/222095062.db2.gz DBCREKOSQXJIIS-UHFFFAOYSA-N 0 2 392.477 5.001 50 0 GKAALN CC(C)(C)[C@@H]1CCc2c(sc3[nH]c(=S)n(Cc4ccccc4)c(=O)c23)C1 ZINC000002275665 570280990 /nfs/dbraw/zinc/28/09/90/570280990.db2.gz UEAGJAYIKACJKS-CQSZACIVSA-N 0 2 384.570 5.320 50 0 GKAALN Cc1ccc(-c2n[nH]c3c2[C@H](c2ccccc2)N(c2ccc(Cl)cc2)C3=O)cc1 ZINC000004928639 570371257 /nfs/dbraw/zinc/37/12/57/570371257.db2.gz LKBTVPVBTLFQEU-QHCPKHFHSA-N 0 2 399.881 5.788 50 0 GKAALN Cc1ccc2[nH+]c(C(=O)[O-])cc(Nc3ccc(OCc4ccccc4)cc3)c2c1 ZINC000035528299 570393184 /nfs/dbraw/zinc/39/31/84/570393184.db2.gz GHXKOBHZIDJMGG-UHFFFAOYSA-N 0 2 384.435 5.564 50 0 GKAALN Cc1cc(Oc2c(=O)c3ccc(O)cc3oc2C(F)(F)F)cc(C)c1Cl ZINC000005488827 570442197 /nfs/dbraw/zinc/44/21/97/570442197.db2.gz RGUMCBUBLAPRJJ-UHFFFAOYSA-N 0 2 384.737 5.580 50 0 GKAALN CCCCc1cc2c(cc1O)oc(C(F)(F)F)c(-c1nc(C)cs1)c2=O ZINC000006204245 570471907 /nfs/dbraw/zinc/47/19/07/570471907.db2.gz RWLNYFLNQUOVDZ-UHFFFAOYSA-N 0 2 383.391 5.292 50 0 GKAALN CC[N@H+]1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C/c2ccc(C(C)C)cc2)C1 ZINC000006561180 570483479 /nfs/dbraw/zinc/48/34/79/570483479.db2.gz RUIANJMLZWVXPL-CPNJWEJPSA-N 0 2 386.495 5.433 50 0 GKAALN CC[N@@H+]1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C/c2ccc(C(C)C)cc2)C1 ZINC000006561180 570483481 /nfs/dbraw/zinc/48/34/81/570483481.db2.gz RUIANJMLZWVXPL-CPNJWEJPSA-N 0 2 386.495 5.433 50 0 GKAALN O=C1c2[nH]nc(-c3cccs3)c2[C@H](c2cccc(F)c2)N1c1ccccc1 ZINC000008715791 570538089 /nfs/dbraw/zinc/53/80/89/570538089.db2.gz JPGMDZUABCERNV-FQEVSTJZSA-N 0 2 375.428 5.027 50 0 GKAALN O=S(=O)(Nc1cccc(Cl)c1)c1ccc(-c2cnc(C3CCC3)o2)s1 ZINC000065004241 570644636 /nfs/dbraw/zinc/64/46/36/570644636.db2.gz UXGVBTMJGCRFSZ-UHFFFAOYSA-N 0 2 394.905 5.125 50 0 GKAALN Cc1ccc(NS(=O)(=O)c2ccc(-c3cnc(C4CCC4)o3)s2)cc1C ZINC000065004383 570644651 /nfs/dbraw/zinc/64/46/51/570644651.db2.gz XJWZYUWWBCPSAJ-UHFFFAOYSA-N 0 2 388.514 5.088 50 0 GKAALN O=c1c(Sc2ccc(Cl)cc2)c(O)c2ccccc2n1-c1ccccc1 ZINC000101085622 570799209 /nfs/dbraw/zinc/79/92/09/570799209.db2.gz HLXVTKQQGKAWBR-UHFFFAOYSA-N 0 2 379.868 5.501 50 0 GKAALN CCCN(Cc1nc(=O)c2sccc2[nH]1)Cc1ccc(Cl)cc1Cl ZINC000012737213 570979020 /nfs/dbraw/zinc/97/90/20/570979020.db2.gz PDTKPPRQYSCUEL-UHFFFAOYSA-N 0 2 382.316 5.116 50 0 GKAALN O=c1c2cc(Cc3ccccc3)sc2[nH]c(=S)n1Cc1ccc(Cl)cc1 ZINC000017081636 210203918 /nfs/dbraw/zinc/20/39/18/210203918.db2.gz CEUJLLOIHRUVOG-UHFFFAOYSA-N 0 2 398.940 5.413 50 0 GKAALN CCC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccccc2Cl)N3)C1 ZINC000004545530 204051795 /nfs/dbraw/zinc/05/17/95/204051795.db2.gz RZPIGTDPKPTODF-XIKOKIGWSA-N 0 2 388.964 6.372 50 0 GKAALN C[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4ccc(Cl)cc4)o2)N3)C1 ZINC000004545102 204051838 /nfs/dbraw/zinc/05/18/38/204051838.db2.gz FMBVYLRACSLKOV-WLRWDXFRSA-N 0 2 398.915 5.640 50 0 GKAALN Cc1ccc(CN2C(=O)S/C(=C\c3cc(Cl)c(O)c(Cl)c3)C2=O)cc1 ZINC000006009187 204161304 /nfs/dbraw/zinc/16/13/04/204161304.db2.gz ODOXRGFJJHNSDM-NVNXTCNLSA-N 0 2 394.279 5.244 50 0 GKAALN Cc1ccc([C@@H]2c3c(-c4ccc(F)cc4)n[nH]c3C(=O)N2c2ccccc2)cc1 ZINC000006813207 204211963 /nfs/dbraw/zinc/21/19/63/204211963.db2.gz MFJCCGMNZVDMNG-HSZRJFAPSA-N 0 2 383.426 5.274 50 0 GKAALN CCc1ccc(Cl)c(CC)c1NS(=O)(=O)c1ccc(Cl)cc1F ZINC000006848554 204214526 /nfs/dbraw/zinc/21/45/26/204214526.db2.gz FGGDISAOKLAWSE-UHFFFAOYSA-N 0 2 376.280 5.058 50 0 GKAALN CCOc1ccc2nc(Nc3nc(-c4ccc5c(c4)OCO5)cs3)sc2c1 ZINC000057509487 205159296 /nfs/dbraw/zinc/15/92/96/205159296.db2.gz QEIMSEPAADIPBA-UHFFFAOYSA-N 0 2 397.481 5.291 50 0 GKAALN CCc1cc2c(cc1O)oc(C(F)(F)F)c(-c1nc3ccccc3s1)c2=O ZINC000005444888 206293550 /nfs/dbraw/zinc/29/35/50/206293550.db2.gz MFHMVRSXKGLIJH-UHFFFAOYSA-N 0 2 391.370 5.357 50 0 biogenic GKAALN CCn1c(-c2cc(NC(=O)c3ccc(C(C)(C)C)cc3)[nH]n2)cc2ccccc21 ZINC000096400241 211341052 /nfs/dbraw/zinc/34/10/52/211341052.db2.gz UFQOUOZOHZTIBJ-UHFFFAOYSA-N 0 2 386.499 5.601 50 0 GKAALN COc1ccc(/C=C/c2ccc3c(Cl)cc(Cl)c(O)c3n2)cc1OC ZINC000013063313 206967536 /nfs/dbraw/zinc/96/75/36/206967536.db2.gz TULXGKAJKDDGTI-HWKANZROSA-N 0 2 376.239 5.435 50 0 GKAALN CCCCCCn1c2ccccc2c(O)c(C(=O)Nc2cc(C)ccc2C)c1=O ZINC000100658345 208378482 /nfs/dbraw/zinc/37/84/82/208378482.db2.gz XYKOAYLTAVWVBD-UHFFFAOYSA-N 0 2 392.499 5.157 50 0 GKAALN CC1CC[NH+](c2ccc(Nc3c(C(=O)[O-])cnc4ccc(Cl)cc43)cc2)CC1 ZINC000005009095 136194490 /nfs/dbraw/zinc/19/44/90/136194490.db2.gz AHVJRMYAMNXJEA-UHFFFAOYSA-N 0 2 395.890 5.566 50 0 GKAALN CCCCCCn1c2ccccc2c(O)c(C(=O)Nc2cccc(C)c2C)c1=O ZINC000100658360 570274254 /nfs/dbraw/zinc/27/42/54/570274254.db2.gz DIQIKBWJROKCCW-UHFFFAOYSA-N 0 2 392.499 5.157 50 0 GKAALN O=C1c2[nH]nc(-c3ccccc3)c2[C@H](c2ccccc2Cl)N1c1ccccc1 ZINC000006720213 570281169 /nfs/dbraw/zinc/28/11/69/570281169.db2.gz KIWYVMSPGRRJBF-QFIPXVFZSA-N 0 2 385.854 5.480 50 0 GKAALN Cc1csc(-c2csc(S(=O)(=O)Nc3ccc(C(C)C)cc3)c2)n1 ZINC000033297632 570405348 /nfs/dbraw/zinc/40/53/48/570405348.db2.gz IYNCFBWFZCPVSK-UHFFFAOYSA-N 0 2 378.544 5.104 50 0 GKAALN COc1ccc2sc(Nc3nc4ccc5nc(C)sc5c4s3)nc2c1 ZINC000005122741 570420839 /nfs/dbraw/zinc/42/08/39/570420839.db2.gz GOTCHWPISWQEIU-UHFFFAOYSA-N 0 2 384.511 5.576 50 0 GKAALN CC(C)(C)[C@@H]1CCc2c(sc3[nH]c(=S)n(C4CCCCC4)c(=O)c23)C1 ZINC000006129986 570467006 /nfs/dbraw/zinc/46/70/06/570467006.db2.gz RVIUDUUNDGOKFT-GFCCVEGCSA-N 0 2 376.591 5.777 50 0 GKAALN O=c1cc(OCc2c(F)cccc2Cl)cc2oc(-c3ccccc3)cc(O)c1-2 ZINC000006230908 570472498 /nfs/dbraw/zinc/47/24/98/570472498.db2.gz YTUYDLDLDVQIME-UHFFFAOYSA-N 0 2 396.801 5.537 50 0 biogenic GKAALN Cc1sc2[nH]c(=S)n(Cc3ccccc3)c(=O)c2c1-c1cccc(Cl)c1 ZINC000006566875 570483555 /nfs/dbraw/zinc/48/35/55/570483555.db2.gz LYOVYJIRYYVLAK-UHFFFAOYSA-N 0 2 398.940 5.798 50 0 GKAALN CCc1cccc(NS(=O)(=O)c2ccc(-c3cnc(C4CCC4)o3)s2)c1 ZINC000065004431 570644309 /nfs/dbraw/zinc/64/43/09/570644309.db2.gz UMOUYNJBQUIYAD-UHFFFAOYSA-N 0 2 388.514 5.034 50 0 GKAALN O=C([O-])c1ccc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)[nH+]c1 ZINC000012651121 570694960 /nfs/dbraw/zinc/69/49/60/570694960.db2.gz PWMITERXCIMRAY-UHFFFAOYSA-N 0 2 380.447 5.184 50 0 GKAALN Cc1ccc2nc(-c3cc(Br)c(O)c(Br)c3)sc2c1 ZINC000002371708 570719848 /nfs/dbraw/zinc/71/98/48/570719848.db2.gz ZAJDJDZCXJUFBZ-UHFFFAOYSA-N 0 2 399.107 5.502 50 0 GKAALN Cc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(C)cc2)N(c2ccccc2)C3=O)cc1 ZINC000004386786 570731119 /nfs/dbraw/zinc/73/11/19/570731119.db2.gz DGKPKKSFPGDPDZ-XMMPIXPASA-N 0 2 379.463 5.443 50 0 GKAALN CC(C)(C)[C@@H]1CCc2oc3ccc(NS(=O)(=O)c4cccs4)cc3c2C1 ZINC000000944469 570734251 /nfs/dbraw/zinc/73/42/51/570734251.db2.gz SSIITVQMCCAEOU-CYBMUJFWSA-N 0 2 389.542 5.446 50 0 GKAALN Cc1cccc(NC(=O)c2cccc(OC(=S)Nc3ccc(Cl)cc3)c2)c1 ZINC000001052234 570748912 /nfs/dbraw/zinc/74/89/12/570748912.db2.gz XDQMQVQFCUMNKJ-UHFFFAOYSA-N 0 2 396.899 5.677 50 0 GKAALN Cc1nc(-c2ccccc2NS(=O)(=O)c2cccc(Cl)c2Cl)cs1 ZINC000206908870 570755377 /nfs/dbraw/zinc/75/53/77/570755377.db2.gz QTPZLWXTJFNGHB-UHFFFAOYSA-N 0 2 399.324 5.226 50 0 GKAALN O=c1c2cc(Cc3ccccc3)sc2[nH]c(=S)n1CCC1=CCCCC1 ZINC000005888449 570800570 /nfs/dbraw/zinc/80/05/70/570800570.db2.gz IBEBGLPLIUYDSF-UHFFFAOYSA-N 0 2 382.554 5.602 50 0 GKAALN Cc1ccc(C)c(NC(=O)Nc2c(=O)oc3ccccc3c2NC2CCCC2)c1 ZINC000101094293 570810765 /nfs/dbraw/zinc/81/07/65/570810765.db2.gz LLCNYESZOFSCCR-UHFFFAOYSA-N 0 2 391.471 5.408 50 0 GKAALN O=S(=O)(Nc1ccccc1Sc1ccccc1)c1ccc(Cl)s1 ZINC000014223146 570831104 /nfs/dbraw/zinc/83/11/04/570831104.db2.gz GENCNGHUCBWCOK-UHFFFAOYSA-N 0 2 381.931 5.354 50 0 GKAALN CCCCCn1c(=O)c2ccc(C(=O)Nc3ccc(C)c(C)c3)cc2[nH]c1=S ZINC000003631139 570879653 /nfs/dbraw/zinc/87/96/53/570879653.db2.gz MQIINEPLOKQREF-UHFFFAOYSA-N 0 2 395.528 5.118 50 0 GKAALN Cc1nc(-c2csc(S(=O)(=O)Nc3cc(Cl)ccc3C)c2)sc1C ZINC000033297649 570961957 /nfs/dbraw/zinc/96/19/57/570961957.db2.gz NZZWVEAJJFJLCJ-UHFFFAOYSA-N 0 2 398.962 5.251 50 0 GKAALN Cc1nc(-c2csc(S(=O)(=O)Nc3cccc(C(C)C)c3)c2)sc1C ZINC000033297660 570962039 /nfs/dbraw/zinc/96/20/39/570962039.db2.gz OEDYMOYTQOLIQN-UHFFFAOYSA-N 0 2 392.571 5.413 50 0 GKAALN Cc1ccc(-c2nc(-c3ccc(C)cc3C)nc(-c3ccc(O)cc3O)n2)c(C)c1 ZINC000001995241 212262177 /nfs/dbraw/zinc/26/21/77/212262177.db2.gz FROCQMFXPIROOK-UHFFFAOYSA-N 0 2 397.478 5.517 50 0 GKAALN C[C@@H](SCc1ccccc1)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 ZINC000004545808 204051819 /nfs/dbraw/zinc/05/18/19/204051819.db2.gz MQPGZTQJCFSVRX-QGZVFWFLSA-N 0 2 396.556 5.010 50 0 GKAALN CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)Sc1nnc(-c2ccc(F)cc2)o1 ZINC000004548564 204052151 /nfs/dbraw/zinc/05/21/51/204052151.db2.gz KTYMYGPTPODIGT-KGLIPLIRSA-N 0 2 399.491 5.509 50 0 GKAALN O=C(Nc1ccc(Oc2cccc3cccnc32)cc1)c1cccc2ccccc21 ZINC000004551187 204052599 /nfs/dbraw/zinc/05/25/99/204052599.db2.gz BGDYRAIURLSYJH-UHFFFAOYSA-N 0 2 390.442 6.433 50 0 GKAALN CCOC(=O)Cc1sc(Nc2nc3ccccc3s2)nc1-c1ccccc1 ZINC000006721529 204194016 /nfs/dbraw/zinc/19/40/16/204194016.db2.gz SJLXXPKXKKLAIK-UHFFFAOYSA-N 0 2 395.509 5.269 50 0 GKAALN Cc1cccc(NS(=O)(=O)c2ccc(-c3cnc(C4CCCC4)o3)s2)c1 ZINC000065004873 205205973 /nfs/dbraw/zinc/20/59/73/205205973.db2.gz AEHRUWXCDALALF-UHFFFAOYSA-N 0 2 388.514 5.170 50 0 GKAALN CCOc1cccc2cc(C(=O)Nc3nc4c(s3)Cc3ccccc3-4)oc21 ZINC000008960844 205802973 /nfs/dbraw/zinc/80/29/73/205802973.db2.gz MGJWUAKOJVMMMP-UHFFFAOYSA-N 0 2 376.437 5.112 50 0 GKAALN CCCCCCc1cc2c(cc1O)occ(-c1nc3ccccc3n1C)c2=O ZINC000001751823 206391131 /nfs/dbraw/zinc/39/11/31/206391131.db2.gz SPIZJHSDPSUMRS-UHFFFAOYSA-N 0 2 376.456 5.175 50 0 GKAALN Cc1nc(-c2ccc(S(=O)(=O)Nc3c(C)cccc3C(C)C)s2)cs1 ZINC000095447966 211240889 /nfs/dbraw/zinc/24/08/89/211240889.db2.gz DGNYTBWCXBMFKY-UHFFFAOYSA-N 0 2 392.571 5.413 50 0 GKAALN Cc1ccc(Cn2c(=O)c3cc(Cc4ccccc4)sc3[nH]c2=S)cc1 ZINC000017077467 207082975 /nfs/dbraw/zinc/08/29/75/207082975.db2.gz ZUTWADURJISYKJ-UHFFFAOYSA-N 0 2 378.522 5.068 50 0 GKAALN CCOc1ccc2nc(Nc3nc4ccc5sc(C)nc5c4s3)sc2c1 ZINC000004137765 208538166 /nfs/dbraw/zinc/53/81/66/208538166.db2.gz TVAVXNLEGJGDGM-UHFFFAOYSA-N 0 2 398.538 5.966 50 0 GKAALN Cc1cccc(NS(=O)(=O)c2ccc(-c3nc(C(C)C)cs3)s2)c1C ZINC000064769446 222081886 /nfs/dbraw/zinc/08/18/86/222081886.db2.gz ZSQKZQKVYTTXAZ-UHFFFAOYSA-N 0 2 392.571 5.413 50 0 GKAALN Oc1c(Br)cc(Br)cc1-c1nc2ccccc2s1 ZINC000096903966 570232660 /nfs/dbraw/zinc/23/26/60/570232660.db2.gz FWKHLHXATSAQBY-UHFFFAOYSA-N 0 2 385.080 5.194 50 0 GKAALN O=S(=O)(Nc1cc2c3c(oc2c2ccccc12)CCCC3)c1cccs1 ZINC000002184853 570277856 /nfs/dbraw/zinc/27/78/56/570277856.db2.gz QIPCCYABVFBQJH-UHFFFAOYSA-N 0 2 383.494 5.327 50 0 GKAALN CC(C)(C)[C@H]1CCc2c(sc3[nH]c(=S)n(Cc4ccccc4)c(=O)c23)C1 ZINC000002275664 570280918 /nfs/dbraw/zinc/28/09/18/570280918.db2.gz UEAGJAYIKACJKS-AWEZNQCLSA-N 0 2 384.570 5.320 50 0 GKAALN COc1cc2c(cc1NS(=O)(=O)c1ccc(Cl)cc1)oc1ccccc12 ZINC000002321099 570282555 /nfs/dbraw/zinc/28/25/55/570282555.db2.gz RVKNETFXHREIKP-UHFFFAOYSA-N 0 2 387.844 5.049 50 0 GKAALN Oc1c(Cl)c2c(c(Cl)c1Cl)O[C@@H](Nc1ccc3ncccc3c1)C2 ZINC000000658541 570285734 /nfs/dbraw/zinc/28/57/34/570285734.db2.gz LWMBYLUUEPPNSM-GFCCVEGCSA-N 0 2 381.646 5.274 50 0 GKAALN O=C1c2[nH]nc(-c3ccc(F)cc3)c2[C@@H](c2ccccc2F)N1c1ccccc1 ZINC000004871045 570352266 /nfs/dbraw/zinc/35/22/66/570352266.db2.gz XHDRZZCKUOOVHC-JOCHJYFZSA-N 0 2 387.389 5.105 50 0 aggregator GKAALN O=C1c2[nH]nc(-c3ccc(F)cc3)c2[C@H](c2cccc(F)c2)N1c1ccccc1 ZINC000004909116 570361950 /nfs/dbraw/zinc/36/19/50/570361950.db2.gz UGANGUWGWRIHAJ-QFIPXVFZSA-N 0 2 387.389 5.105 50 0 GKAALN CC(C)(C)c1ccc(Oc2c(=O)c3ccc(O)cc3oc2C(F)(F)F)cc1 ZINC000005444101 570440050 /nfs/dbraw/zinc/44/00/50/570440050.db2.gz QHISRQYOGVXAHK-UHFFFAOYSA-N 0 2 378.346 5.607 50 0 biogenic GKAALN CC(C)(C)[C@H]1CCc2c(sc3[nH]c(=S)n(C4CCCCC4)c(=O)c23)C1 ZINC000005898697 570460788 /nfs/dbraw/zinc/46/07/88/570460788.db2.gz RVIUDUUNDGOKFT-LBPRGKRZSA-N 0 2 376.591 5.777 50 0 GKAALN O=c1c2ccc(O)cc2oc(C(F)(F)F)c1Oc1ccc(-c2ccccc2)cc1 ZINC000006062164 570465390 /nfs/dbraw/zinc/46/53/90/570465390.db2.gz WATAYPGCMGGEBO-UHFFFAOYSA-N 0 2 398.336 5.977 50 0 GKAALN O=C1c2[nH]nc(-c3cccs3)c2[C@@H](c2cccc(F)c2)N1c1ccccc1 ZINC000008715790 570537896 /nfs/dbraw/zinc/53/78/96/570537896.db2.gz JPGMDZUABCERNV-HXUWFJFHSA-N 0 2 375.428 5.027 50 0 GKAALN Cc1ccccc1NS(=O)(=O)c1ccc(-c2nc(C(C)C)cs2)s1 ZINC000064769453 570541711 /nfs/dbraw/zinc/54/17/11/570541711.db2.gz IJRCUTOKOFKWEP-UHFFFAOYSA-N 0 2 378.544 5.104 50 0 GKAALN Cc1ccc(NS(=O)(=O)c2ccc(-c3cnc(C4CC4)o3)s2)cc1Cl ZINC000065004090 570644325 /nfs/dbraw/zinc/64/43/25/570644325.db2.gz QCDUZGMTBHRXTB-UHFFFAOYSA-N 0 2 394.905 5.043 50 0 GKAALN CCc1ccc(NS(=O)(=O)c2ccc(-c3cnc(C4CCC4)o3)s2)cc1 ZINC000065004294 570644548 /nfs/dbraw/zinc/64/45/48/570644548.db2.gz IMYIIEPTZLZVPW-UHFFFAOYSA-N 0 2 388.514 5.034 50 0 GKAALN Cc1cccc(NC(=O)c2cccc(OC(=S)Nc3ccc(F)cc3)c2)c1 ZINC000001052236 570748924 /nfs/dbraw/zinc/74/89/24/570748924.db2.gz NQOWGRDWKNAZCM-UHFFFAOYSA-N 0 2 380.444 5.162 50 0 GKAALN O=c1c2oc3ccc(Cl)cc3c2[nH]c(=S)n1Cc1ccccc1Cl ZINC000101270638 570818742 /nfs/dbraw/zinc/81/87/42/570818742.db2.gz BIIOSTJMBRCYNA-UHFFFAOYSA-N 0 2 377.252 5.160 50 0 GKAALN Cc1ccc(N2C(=O)c3[nH]nc(-c4ccccc4)c3[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000001413235 209327100 /nfs/dbraw/zinc/32/71/00/209327100.db2.gz VGZQDOCSLQVIRY-QHCPKHFHSA-N 0 2 399.881 5.788 50 0 GKAALN CC(C)c1ccc([C@H]2c3c(-c4ccccc4)n[nH]c3C(=O)N2c2ccccc2)cc1 ZINC000001097837 212216734 /nfs/dbraw/zinc/21/67/34/212216734.db2.gz RLBIPSZTWUNLEK-VWLOTQADSA-N 0 2 393.490 5.950 50 0 GKAALN O=C(COc1ccc(C2CCCCC2)cc1)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000001010667 212203685 /nfs/dbraw/zinc/20/36/85/212203685.db2.gz VFHRHDYSSLHTPV-UHFFFAOYSA-N 0 2 394.298 5.764 50 0 GKAALN O=C1c2[nH]nc(-c3ccc(F)cc3)c2[C@H](c2ccccc2F)N1c1ccccc1 ZINC000004871047 204084480 /nfs/dbraw/zinc/08/44/80/204084480.db2.gz XHDRZZCKUOOVHC-QFIPXVFZSA-N 0 2 387.389 5.105 50 0 aggregator GKAALN CCCCCc1cc2c(cc1O)oc(C(F)(F)F)c(-c1nc(C)cs1)c2=O ZINC000006778277 204204940 /nfs/dbraw/zinc/20/49/40/204204940.db2.gz HJSVWFITVBZQQL-UHFFFAOYSA-N 0 2 397.418 5.682 50 0 GKAALN O=c1cc(O)c2sc3nc(-c4cccs4)cc(-c4cccs4)c3c2[nH]1 ZINC000008868458 204292640 /nfs/dbraw/zinc/29/26/40/204292640.db2.gz ZZAIXNUGEDHPDY-UHFFFAOYSA-N 0 2 382.491 5.300 50 0 GKAALN Cc1c2cc(Cl)ccc2sc1S(=O)(=O)Nc1ccc2[nH]ccc2c1 ZINC000001034196 206343726 /nfs/dbraw/zinc/34/37/26/206343726.db2.gz GANPADKZUKFRKF-UHFFFAOYSA-N 0 2 376.890 5.145 50 0 GKAALN O=C(Cc1coc(-c2ccc(Cl)cc2)n1)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000095453037 208183287 /nfs/dbraw/zinc/18/32/87/208183287.db2.gz XCVJJLDJIWTULV-UHFFFAOYSA-N 0 2 397.645 5.189 50 0 GKAALN O=C(Nc1nc2c(s1)Cc1ccccc1-2)c1sc2ccccc2c1Cl ZINC000008880044 208700119 /nfs/dbraw/zinc/70/01/19/208700119.db2.gz ZAQQFOLCCMTPFN-UHFFFAOYSA-N 0 2 382.897 5.835 50 0 GKAALN Oc1c(Cl)cc(Cl)c2ccc(/C=C/c3cccc(Br)c3)nc12 ZINC000004879770 220783159 /nfs/dbraw/zinc/78/31/59/220783159.db2.gz AGQIHKSTZDRMFI-SNAWJCMRSA-N 0 2 395.083 6.180 50 0 GKAALN O=c1c2c3c(sc2[nH]c(=S)n1Cc1ccccc1)CC1(CCCCC1)CC3 ZINC000008738003 221054394 /nfs/dbraw/zinc/05/43/94/221054394.db2.gz ZNVOXZZHYVTXOF-UHFFFAOYSA-N 0 2 396.581 5.608 50 0 GKAALN O=S(=O)(Nc1ccc(Cl)cc1)c1ccc(-c2cnc(C3CCC3)o2)s1 ZINC000065004243 222093814 /nfs/dbraw/zinc/09/38/14/222093814.db2.gz FAWHHHWBIZGLEM-UHFFFAOYSA-N 0 2 394.905 5.125 50 0 GKAALN O=C1CC(c2ccccc2)=NN1c1nc(-c2ccc(Br)cc2)cs1 ZINC000100930543 570279453 /nfs/dbraw/zinc/27/94/53/570279453.db2.gz WRAIEFCJFXCEOO-UHFFFAOYSA-N 0 2 398.285 5.131 50 0 GKAALN O=c1cc(-c2ccccc2)[nH]n1-c1nc(-c2ccc(Br)cc2)cs1 ZINC000100930543 570279454 /nfs/dbraw/zinc/27/94/54/570279454.db2.gz WRAIEFCJFXCEOO-UHFFFAOYSA-N 0 2 398.285 5.131 50 0 GKAALN Cc1cc(CSc2ccccc2)ccc1NS(=O)(=O)c1cccs1 ZINC000002852888 570309187 /nfs/dbraw/zinc/30/91/87/570309187.db2.gz ZBKFWSSPIYZCLX-UHFFFAOYSA-N 0 2 375.540 5.150 50 0 GKAALN O=C1CC(=O)c2sc3nc(-c4ccccc4)cc(-c4ccc(F)cc4)c3c2N1 ZINC000005593959 570314304 /nfs/dbraw/zinc/31/43/04/570314304.db2.gz PTTJXXYRXNBGJI-UHFFFAOYSA-N 0 2 388.423 5.944 50 0 GKAALN Cc1ccc2c(Cl)c(C(=O)Nc3c(F)c(F)c(F)c(F)c3F)sc2c1 ZINC000002950674 570319601 /nfs/dbraw/zinc/31/96/01/570319601.db2.gz MIRTXHUSZMFVJB-UHFFFAOYSA-N 0 2 391.748 5.811 50 0 GKAALN Cc1ccc(N2C(=O)c3[nH]nc(-c4ccc(Cl)cc4)c3[C@H]2c2ccccc2)cc1 ZINC000004928779 570371193 /nfs/dbraw/zinc/37/11/93/570371193.db2.gz UITIWZNZZQVARR-HSZRJFAPSA-N 0 2 399.881 5.788 50 0 GKAALN Cc1ccc(N2C(=O)c3[nH]nc(-c4ccc(Cl)cc4)c3[C@@H]2c2ccccc2)cc1 ZINC000004928781 570371361 /nfs/dbraw/zinc/37/13/61/570371361.db2.gz UITIWZNZZQVARR-QHCPKHFHSA-N 0 2 399.881 5.788 50 0 GKAALN CCCCCCc1cc2c(cc1O)occ(-c1nc3ccccc3s1)c2=O ZINC000005502477 570443454 /nfs/dbraw/zinc/44/34/54/570443454.db2.gz QVGKRHKGPQGZMS-UHFFFAOYSA-N 0 2 379.481 5.898 50 0 GKAALN O=c1cc(-c2ccccc2)oc2cc(OCc3ccc(Cl)cc3)cc(O)c12 ZINC000005528246 570444474 /nfs/dbraw/zinc/44/44/74/570444474.db2.gz GHWSFZWNRGXXRZ-UHFFFAOYSA-N 0 2 378.811 5.398 50 0 biogenic GKAALN CC(=O)C(=NNc1c(O)c(Cl)c(Cl)c(Cl)c1Cl)c1ccccc1 ZINC000252623704 570454450 /nfs/dbraw/zinc/45/44/50/570454450.db2.gz OXPCHPIBIPTAIU-UHFFFAOYSA-N 0 2 392.069 5.411 50 0 GKAALN CCc1cc2c(=O)c(-c3ccc4ccccc4c3)c(C(F)(F)F)oc2cc1O ZINC000006273918 570475344 /nfs/dbraw/zinc/47/53/44/570475344.db2.gz DIVSVMBCKLQHAH-UHFFFAOYSA-N 0 2 384.353 5.900 50 0 GKAALN Cc1ccc([C@H]2c3c(-c4ccc(F)cc4)n[nH]c3C(=O)N2c2ccccc2)cc1 ZINC000006813244 570617151 /nfs/dbraw/zinc/61/71/51/570617151.db2.gz MFJCCGMNZVDMNG-QHCPKHFHSA-N 0 2 383.426 5.274 50 0 GKAALN CCOc1ccc(/C=C/c2ccc3c(Cl)cc(Cl)c(O)c3n2)cc1OC ZINC000004880443 570642334 /nfs/dbraw/zinc/64/23/34/570642334.db2.gz AGWLQEMEJGTAQU-GQCTYLIASA-N 0 2 390.266 5.825 50 0 GKAALN Cc1cccc(C)c1NS(=O)(=O)c1ccc(-c2cnc(C3CCC3)o2)s1 ZINC000065004285 570644573 /nfs/dbraw/zinc/64/45/73/570644573.db2.gz IXKDRIIXVWESAE-UHFFFAOYSA-N 0 2 388.514 5.088 50 0 GKAALN O=c1[nH]c(SCc2c(Cl)ccc(Cl)c2Cl)nnc1-c1ccccc1 ZINC000005626420 570675638 /nfs/dbraw/zinc/67/56/38/570675638.db2.gz SIDIIOBLCKFKQF-UHFFFAOYSA-N 0 2 398.702 5.084 50 0 GKAALN Cc1cccc(NC(=O)Nc2c(=O)oc3ccccc3c2NC2CCCC2)c1C ZINC000101094275 570810910 /nfs/dbraw/zinc/81/09/10/570810910.db2.gz RMRUOXCTVICOIF-UHFFFAOYSA-N 0 2 391.471 5.408 50 0 GKAALN Cc1cc(-c2nc3ccccc3s2)ccc1NS(=O)(=O)c1cccs1 ZINC000033169119 570834518 /nfs/dbraw/zinc/83/45/18/570834518.db2.gz DLIKACKQIIHJDE-UHFFFAOYSA-N 0 2 386.523 5.134 50 0 GKAALN Oc1c(Cl)cc(NC(=S)Nc2ccc(Cl)cc2Cl)cc1Cl ZINC000017078036 570939477 /nfs/dbraw/zinc/93/94/77/570939477.db2.gz NAOZGVLMFVDEOL-UHFFFAOYSA-N 0 2 382.099 5.815 50 0 GKAALN Cc1ccc(NS(=O)(=O)c2cc(-c3nc(C(C)C)cs3)cs2)cc1C ZINC000033297722 570962015 /nfs/dbraw/zinc/96/20/15/570962015.db2.gz UBSNNRICLWDWHX-UHFFFAOYSA-N 0 2 392.571 5.413 50 0 GKAALN Cc1ccccc1NS(=O)(=O)c1cc(-c2nc(CC(C)C)cs2)cs1 ZINC000033297742 570962094 /nfs/dbraw/zinc/96/20/94/570962094.db2.gz POGOKWQDJMJZJW-UHFFFAOYSA-N 0 2 392.571 5.179 50 0 GKAALN O=C(Nc1cc(Cl)c(Cl)c(Cl)c1)c1cc(Cl)cc(Cl)c1O ZINC000001920185 212260449 /nfs/dbraw/zinc/26/04/49/212260449.db2.gz JJTDABKGTRPCPL-UHFFFAOYSA-N 0 2 385.461 5.912 50 0 GKAALN COc1ccccc1-c1c(C)n[nH]c1-c1ccc(OCc2ccccc2)cc1O ZINC000008971183 212148260 /nfs/dbraw/zinc/14/82/60/212148260.db2.gz GHZFRQSKRZHFOG-UHFFFAOYSA-N 0 2 386.451 5.345 50 0 GKAALN CCC(C)(C)[C@@H]1CCc2c(sc3[nH]c(=S)n(Cc4ccccc4)c(=O)c23)C1 ZINC000003885794 204021334 /nfs/dbraw/zinc/02/13/34/204021334.db2.gz SWEFWJOLTXASBT-OAHLLOKOSA-N 0 2 398.597 5.710 50 0 GKAALN CCC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2cccc(OC)c2)N3)C1 ZINC000004553451 204051668 /nfs/dbraw/zinc/05/16/68/204051668.db2.gz MJQOCFMRWDAOKL-LIRRHRJNSA-N 0 2 384.545 5.727 50 0 GKAALN CCC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccccc2Cl)N3)C1 ZINC000004545533 204052169 /nfs/dbraw/zinc/05/21/69/204052169.db2.gz RZPIGTDPKPTODF-KPZWWZAWSA-N 0 2 388.964 6.372 50 0 GKAALN CC[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2c(Cl)cccc2Cl)N3)C1 ZINC000004545484 204052232 /nfs/dbraw/zinc/05/22/32/204052232.db2.gz VLTOYWRITCLZGX-JDNHERCYSA-N 0 2 381.328 5.999 50 0 GKAALN Cc1ccc(-c2n[nH]c3c2[C@H](c2cccc(F)c2)N(c2ccccc2)C3=O)cc1 ZINC000005249125 204122570 /nfs/dbraw/zinc/12/25/70/204122570.db2.gz URHBKQBUDUPOEQ-QHCPKHFHSA-N 0 2 383.426 5.274 50 0 GKAALN Cc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(F)cc2)N(c2ccccc2)C3=O)cc1 ZINC000009349987 204308756 /nfs/dbraw/zinc/30/87/56/204308756.db2.gz KDECGVBBKMBKNY-HSZRJFAPSA-N 0 2 383.426 5.274 50 0 GKAALN CC[C@@H](C)Sc1[nH]c(-c2ccc(C)cc2)nc1S(=O)(=O)c1ccccc1 ZINC000012249921 204387456 /nfs/dbraw/zinc/38/74/56/204387456.db2.gz HVRZKEFZZJYFIA-OAHLLOKOSA-N 0 2 386.542 5.109 50 0 GKAALN CC[C@@H](C)Sc1nc(-c2ccc(C)cc2)[nH]c1S(=O)(=O)c1ccccc1 ZINC000012249921 204387460 /nfs/dbraw/zinc/38/74/60/204387460.db2.gz HVRZKEFZZJYFIA-OAHLLOKOSA-N 0 2 386.542 5.109 50 0 GKAALN O=C1c2[nH]nc(-c3ccc(F)cc3)c2[C@@H](c2ccc(F)cc2)N1c1ccccc1 ZINC000009274131 221076647 /nfs/dbraw/zinc/07/66/47/221076647.db2.gz IRCVJAVEYMXIPT-JOCHJYFZSA-N 0 2 387.389 5.105 50 0 GKAALN Cc1ccc(NS(=O)(=O)c2ccc(-c3cnc(C4CCC4)o3)s2)c(C)c1 ZINC000065004371 222093450 /nfs/dbraw/zinc/09/34/50/222093450.db2.gz COVDOZWZRSQRMI-UHFFFAOYSA-N 0 2 388.514 5.088 50 0 GKAALN Cc1cc(C)c(NS(=O)(=O)c2ccc(-c3cnc(C4CC4)o3)s2)c(C)c1 ZINC000065004109 222094003 /nfs/dbraw/zinc/09/40/03/222094003.db2.gz LQMFRKGDFKRLDD-UHFFFAOYSA-N 0 2 388.514 5.007 50 0 GKAALN O=S(=O)(Nc1ccc(SC(F)F)cc1)c1cc(Cl)sc1Cl ZINC000020626932 570273236 /nfs/dbraw/zinc/27/32/36/570273236.db2.gz YUNYHIUHJXMBID-UHFFFAOYSA-N 0 2 390.285 5.170 50 0 GKAALN CC[C@H](C)Sc1[nH]c(-c2ccc(C)cc2)nc1S(=O)(=O)c1ccccc1 ZINC000012249922 570277628 /nfs/dbraw/zinc/27/76/28/570277628.db2.gz HVRZKEFZZJYFIA-HNNXBMFYSA-N 0 2 386.542 5.109 50 0 GKAALN CC[C@H](C)Sc1nc(-c2ccc(C)cc2)[nH]c1S(=O)(=O)c1ccccc1 ZINC000012249922 570277631 /nfs/dbraw/zinc/27/76/31/570277631.db2.gz HVRZKEFZZJYFIA-HNNXBMFYSA-N 0 2 386.542 5.109 50 0 GKAALN Cc1cccc(NC(=O)c2cccc(OC(=S)Nc3cccc(C)c3C)c2)c1 ZINC000004179189 570361531 /nfs/dbraw/zinc/36/15/31/570361531.db2.gz YWJWAZUXFDMJSR-UHFFFAOYSA-N 0 2 390.508 5.640 50 0 GKAALN O=c1c2ccc(O)cc2oc(C(F)(F)F)c1-c1ccc(Cl)cc1Cl ZINC000004226050 570363368 /nfs/dbraw/zinc/36/33/68/570363368.db2.gz ZPLBTMULPSZYJE-UHFFFAOYSA-N 0 2 375.129 5.491 50 0 biogenic GKAALN Cc1ccc(N2C(=O)c3[nH]nc(-c4ccc(Cl)cc4)c3[C@H]2c2ccco2)cc1 ZINC000004928788 570371243 /nfs/dbraw/zinc/37/12/43/570371243.db2.gz KKUVXPIKPFEHEB-OAQYLSRUSA-N 0 2 389.842 5.381 50 0 GKAALN Cc1ccc(N2C(=O)c3[nH]nc(-c4ccc(Cl)cc4)c3[C@@H]2c2ccco2)cc1 ZINC000004928789 570371343 /nfs/dbraw/zinc/37/13/43/570371343.db2.gz KKUVXPIKPFEHEB-NRFANRHFSA-N 0 2 389.842 5.381 50 0 GKAALN CCCc1ccc(Oc2c(=O)c3ccc(O)c(C)c3oc2C(F)(F)F)cc1 ZINC000005408322 570437805 /nfs/dbraw/zinc/43/78/05/570437805.db2.gz LWWMLCNUAKFAAP-UHFFFAOYSA-N 0 2 378.346 5.571 50 0 GKAALN O=C(CSCc1cccc2ccccc21)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000008908753 570542934 /nfs/dbraw/zinc/54/29/34/570542934.db2.gz NZQQTWVYSMWXTF-UHFFFAOYSA-N 0 2 392.307 5.724 50 0 GKAALN O=c1c2ccc(O)cc2oc(C(F)(F)F)c1Oc1ccc(Cl)cc1Cl ZINC000005450539 570595970 /nfs/dbraw/zinc/59/59/70/570595970.db2.gz JRTXGNGQNDVFMP-UHFFFAOYSA-N 0 2 391.128 5.617 50 0 GKAALN COc1ccc2sc(Nc3nc(-c4nc5ccccc5s4)cs3)nc2c1 ZINC000004359830 570706177 /nfs/dbraw/zinc/70/61/77/570706177.db2.gz AWWGRTXLFRVFCI-UHFFFAOYSA-N 0 2 396.522 5.782 50 0 GKAALN CSc1ccccc1NS(=O)(=O)c1cc(-c2nc(C)c(C)s2)cs1 ZINC000033297688 570961953 /nfs/dbraw/zinc/96/19/53/570961953.db2.gz SNCULVNMWGFOHM-UHFFFAOYSA-N 0 2 396.584 5.011 50 0 GKAALN Cc1ccc(NS(=O)(=O)c2cc(-c3nc(C(C)(C)C)cs3)cs2)cc1 ZINC000033297806 570962242 /nfs/dbraw/zinc/96/22/42/570962242.db2.gz FHKFUMUHTLAOMI-UHFFFAOYSA-N 0 2 392.571 5.278 50 0 GKAALN