smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1[N-]C(=S)S/C1=C\c1cccc(OCc2cccc(Cl)c2)c1 ZINC000408527351 570508115 /nfs/dbraw/zinc/50/81/15/570508115.db2.gz AFHFUMNKDRJXGB-DHDCSXOGSA-N -1 1 361.875 4.408 40 10 FICBMM O=C1[N-]C(=S)NC1=CC1=CC(=NNc2cccc3ccccc32)C=CC1=O ZINC000408726156 570679388 /nfs/dbraw/zinc/67/93/88/570679388.db2.gz QIZMLLIANHXZJY-JNPIZUODSA-N -1 1 374.425 4.306 40 10 FICBMM CC[C@H](C)n1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c2ccccc21 ZINC000033387116 571309675 /nfs/dbraw/zinc/30/96/75/571309675.db2.gz SARICJUUIWHHFP-CCNLRRDASA-N -1 1 359.429 4.074 40 10 FICBMM CCN1C(=O)C(=Cc2ccc(-c3ccc(Cl)cc3)o2)C(=O)[N-]C1=S ZINC000006938221 570785934 /nfs/dbraw/zinc/78/59/34/570785934.db2.gz YTSMKPODBYNOHI-UKTHLTGXSA-N -1 1 360.822 4.087 40 10 FICBMM Cc1[n-]n(-c2ccccc2)c(=S)c1C=Nc1ccc(Br)cn1 ZINC000016161050 570851651 /nfs/dbraw/zinc/85/16/51/570851651.db2.gz GJRFBOFZCCRHAN-UVTDQMKNSA-N -1 1 373.279 4.363 40 10 FICBMM O=C1[N-]C(=S)S/C1=C\c1ccc2c(ccn2Cc2cccc(F)c2)c1 ZINC000409242748 570746201 /nfs/dbraw/zinc/74/62/01/570746201.db2.gz SVLFUIVGSBJCAT-YVLHZVERSA-N -1 1 368.458 4.318 40 10 FICBMM Cc1cc(C=C2SC(=S)[N-]C2=O)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000408999062 570710232 /nfs/dbraw/zinc/71/02/32/570710232.db2.gz WANSAVAIDPOXNF-NSIKDUERSA-N -1 1 366.870 4.375 40 10 FICBMM CC(C)CN1C(=O)/C(=C\c2ccc([O-])c(Br)c2)SC1=S ZINC000036613108 570834620 /nfs/dbraw/zinc/83/46/20/570834620.db2.gz NWAAUYULEGPQFI-WUXMJOGZSA-N -1 1 372.309 4.012 40 10 FICBMM O=C1[N-]C(=S)S/C1=C\c1ccc(-c2ccc(OC(F)(F)F)cc2)o1 ZINC000041074260 571106670 /nfs/dbraw/zinc/10/66/70/571106670.db2.gz DUOURDQSAYXPLG-GHXNOFRVSA-N -1 1 371.361 4.334 40 10 FICBMM O=S(=O)(Nc1cc(Cl)c([O-])c(Cl)c1)c1ccc(Cl)cc1 ZINC000000828901 206225247 /nfs/dbraw/zinc/22/52/47/206225247.db2.gz TVDZSXSXDBUPMR-UHFFFAOYSA-N -1 1 352.626 4.153 40 10 FICBMM O=C1[N-]C(=S)S/C1=C\c1ccc(Sc2cccc3cccnc32)o1 ZINC000059379028 571090102 /nfs/dbraw/zinc/09/01/02/571090102.db2.gz VDZBZZBGIUIJAL-LCYFTJDESA-N -1 1 370.480 4.468 40 10 FICBMM CC[C@@H](C)n1c(C)c(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c2ccccc21 ZINC000107745822 571310000 /nfs/dbraw/zinc/31/00/00/571310000.db2.gz ROIKBZIUQBJFDF-KWPCUBQOSA-N -1 1 373.456 4.382 40 10 FICBMM Cc1cc([C@@H]2NC[C@H](C(=O)[O-])S2)c(C)n1-c1ccc2ccccc2c1 ZINC000408980350 570707780 /nfs/dbraw/zinc/70/77/80/570707780.db2.gz VQGXZFZLMZTJDJ-RTBURBONSA-N -1 1 352.459 4.036 40 10 FICBMM O=C1[N-]C(=S)S/C1=C\c1ccc(OCc2cccc(Cl)c2)cc1 ZINC000015055774 570860530 /nfs/dbraw/zinc/86/05/30/570860530.db2.gz UXMWNNLPFYGQOR-DHDCSXOGSA-N -1 1 361.875 4.408 40 10 FICBMM O=C1[N-]C(=S)S/C1=C/c1cccc(OCc2ccc(Cl)cc2)c1 ZINC000040942145 209212374 /nfs/dbraw/zinc/21/23/74/209212374.db2.gz NEADTIRNSNHZOL-OQLLNIDSSA-N -1 1 361.875 4.408 40 10 FICBMM CCOc1cc(C=C2SC(=S)[N-]C2=O)ccc1OCc1ccccc1 ZINC000001203430 570764209 /nfs/dbraw/zinc/76/42/09/570764209.db2.gz MGODDJPVMIIGPR-GZTJUZNOSA-N -1 1 371.483 4.153 40 10 FICBMM Cc1cc([C@H]2NC[C@H](C(=O)[O-])S2)c(C)n1-c1cccc2ccccc21 ZINC000408976914 570706596 /nfs/dbraw/zinc/70/65/96/570706596.db2.gz HAUABIGXYYTBLG-MOPGFXCFSA-N -1 1 352.459 4.036 40 10 FICBMM CC(C)Oc1ccc2ccccc2c1/C=C1/C(=O)[N-]N(c2ccccc2)C1=O ZINC000108179811 571309998 /nfs/dbraw/zinc/30/99/98/571309998.db2.gz JHPHGUICXYXSNB-ZHZULCJRSA-N -1 1 372.424 4.088 40 10 FICBMM CC[C@H](C)Oc1c(Cl)cc(C=C2SC(=S)[N-]C2=O)cc1OC ZINC000006168449 1121199527 /nfs/dbraw/zinc/19/95/27/1121199527.db2.gz LZFAZXMHSKXAIU-OTIXFSKASA-N -1 1 357.884 4.015 40 10 FICBMM Cc1[nH]n(-c2ccc(C)c(Cl)c2)c(=O)c1C=Nc1ccccc1C(=O)[O-] ZINC000408531776 570513449 /nfs/dbraw/zinc/51/34/49/570513449.db2.gz LODLCTKBKPUUHP-GDNBJRDFSA-N -1 1 369.808 4.065 40 10 FICBMM Cc1cc(C=C2NC(=O)[N-]C2=O)c(C)n1-c1cccc(Cl)c1Cl ZINC000096822598 571098654 /nfs/dbraw/zinc/09/86/54/571098654.db2.gz BIWZOEHUNPHYEK-GHXNOFRVSA-N -1 1 350.205 4.422 40 10 FICBMM Cc1c(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c2ccccc2n1C(C)(C)C ZINC000107745843 571310006 /nfs/dbraw/zinc/31/00/06/571310006.db2.gz HIVFTBHROOIJRF-RGEXLXHISA-N -1 1 373.456 4.166 40 10 FICBMM CCc1cccc(C)c1-n1c(C)cc(C=C2SC(=S)[N-]C2=O)c1C ZINC000408960833 570702912 /nfs/dbraw/zinc/70/29/12/570702912.db2.gz OMTZLZXVDNJHFL-MHWRWJLKSA-N -1 1 356.516 4.454 40 10 FICBMM Cc1cc([C@@H]2NC[C@@H](C(=O)[O-])S2)c(C)n1-c1cccc2ccccc21 ZINC000408976921 570706514 /nfs/dbraw/zinc/70/65/14/570706514.db2.gz HAUABIGXYYTBLG-RBUKOAKNSA-N -1 1 352.459 4.036 40 10 FICBMM Cc1c(C=C2SC(=S)[N-]C2=O)c2ccccc2n1Cc1ccccc1 ZINC000409343313 570751176 /nfs/dbraw/zinc/75/11/76/570751176.db2.gz GLHJCGKVRUGXQF-WOJGMQOQSA-N -1 1 364.495 4.487 40 10 FICBMM CC(=O)c1ccc(N=Cc2c(C)[n-]n(-c3cccc(Cl)c3)c2=O)cc1 ZINC000013282665 211029394 /nfs/dbraw/zinc/02/93/94/211029394.db2.gz ZOWFBXQZBIDKHB-WQRHYEAKSA-N -1 1 353.809 4.261 40 10 FICBMM CN1c2ccccc2Sc2cc(C=C3SC(=S)[N-]C3=O)ccc21 ZINC000001676132 132382221 /nfs/dbraw/zinc/38/22/21/132382221.db2.gz OVKSOKMSQCCZAZ-DHDCSXOGSA-N -1 1 356.497 4.408 40 10 FICBMM CCCOc1c(Cl)cc(C=C2SC(=S)[N-]C2=O)cc1OCC ZINC000007155213 570660704 /nfs/dbraw/zinc/66/07/04/570660704.db2.gz FKPAPUVZFYRHGB-WQLSENKSSA-N -1 1 357.884 4.016 40 10 FICBMM Cc1cccc2cc(C=C3SC(=S)[N-]C3=O)c(N3CCCCC3)nc12 ZINC000001158751 132380592 /nfs/dbraw/zinc/38/05/92/132380592.db2.gz RQVXKKVCGSUEHL-RVDMUPIBSA-N -1 1 369.515 4.022 40 10 FICBMM Cc1cc(C=C2SC(=S)[N-]C2=O)c(C)n1-c1ccc2ncccc2c1 ZINC000408966366 263510632 /nfs/dbraw/zinc/51/06/32/263510632.db2.gz MFMMURUQMDGBRP-LICLKQGHSA-N -1 1 365.483 4.131 40 10 FICBMM Cc1cc([C@H]2NC[C@@H](C(=O)[O-])S2)c(C)n1-c1cccc2ccccc21 ZINC000408976918 570706568 /nfs/dbraw/zinc/70/65/68/570706568.db2.gz HAUABIGXYYTBLG-OALUTQOASA-N -1 1 352.459 4.036 40 10 FICBMM Cc1cc([C@H]2NC[C@H](C(=O)[O-])S2)c(C)n1-c1ccc2ccccc2c1 ZINC000408980347 570707973 /nfs/dbraw/zinc/70/79/73/570707973.db2.gz VQGXZFZLMZTJDJ-MOPGFXCFSA-N -1 1 352.459 4.036 40 10 FICBMM Cc1cc([C@@H]2NC[C@H](C(=O)[O-])S2)c(C)n1-c1cccc2ccccc21 ZINC000408976922 570706573 /nfs/dbraw/zinc/70/65/73/570706573.db2.gz HAUABIGXYYTBLG-RTBURBONSA-N -1 1 352.459 4.036 40 10 FICBMM CC1=CC(C)(C)N(C)c2cc(Cl)c(C=C3SC(=S)[N-]C3=O)cc21 ZINC000208472940 132269048 /nfs/dbraw/zinc/26/90/48/132269048.db2.gz FMRFVZBPYCLJGK-MKMNVTDBSA-N -1 1 364.923 4.461 40 10 FICBMM Cc1cc([C@H]2NC[C@@H](C(=O)[O-])S2)c(C)n1-c1ccc2ccccc2c1 ZINC000408980348 570707958 /nfs/dbraw/zinc/70/79/58/570707958.db2.gz VQGXZFZLMZTJDJ-OALUTQOASA-N -1 1 352.459 4.036 40 10 FICBMM CCOc1ccccc1[N-]S(=O)(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000058850493 571085969 /nfs/dbraw/zinc/08/59/69/571085969.db2.gz KBWXMQLAKZMDNZ-UHFFFAOYSA-N -1 1 370.474 4.294 40 10 FICBMM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000058850496 571086096 /nfs/dbraw/zinc/08/60/96/571086096.db2.gz IBZHCFXPSXOMQT-UHFFFAOYSA-N -1 1 370.474 4.212 40 10 FICBMM CC[C@H](C)n1c(C)c(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c2ccccc21 ZINC000107745832 571309968 /nfs/dbraw/zinc/30/99/68/571309968.db2.gz ROIKBZIUQBJFDF-CPOQMQJTSA-N -1 1 373.456 4.382 40 10 FICBMM CCCCCCOc1ccc(C=C2SC(=S)[N-]C2=O)cc1OC ZINC000001538757 570764992 /nfs/dbraw/zinc/76/49/92/570764992.db2.gz JTMGXQAXAGUPQB-RVDMUPIBSA-N -1 1 351.493 4.143 40 10 FICBMM Cc1cc([C@@H]2NC[C@@H](C(=O)[O-])S2)c(C)n1-c1ccc2ccccc2c1 ZINC000408980349 570707798 /nfs/dbraw/zinc/70/77/98/570707798.db2.gz VQGXZFZLMZTJDJ-RBUKOAKNSA-N -1 1 352.459 4.036 40 10 FICBMM O=C1/C(=C/c2ccc([O-])c(Cl)c2)SC(=S)N1Cc1ccccc1 ZINC000409329054 570750435 /nfs/dbraw/zinc/75/04/35/570750435.db2.gz CMEQVSSGZCTRKA-DHDCSXOGSA-N -1 1 361.875 4.447 40 10 FICBMM [O-]c1c([C@@H](c2cccs2)N2CCOCC2)cc(Cl)c2cccnc12 ZINC000021486897 220357746 /nfs/dbraw/zinc/35/77/46/220357746.db2.gz FWVVEWDVWDDJEG-KRWDZBQOSA-N -1 1 360.866 4.077 40 10 FICBMM CCCCN1C(=O)/C(=C\c2ccc([O-])c(Br)c2)SC1=S ZINC000036613142 570834649 /nfs/dbraw/zinc/83/46/49/570834649.db2.gz VEHUYRRMRORRNP-XYOKQWHBSA-N -1 1 372.309 4.156 40 10 FICBMM O=C1[N-]C(=S)S/C1=C\c1ccccc1OCc1cccc(Cl)c1 ZINC000015055798 570860406 /nfs/dbraw/zinc/86/04/06/570860406.db2.gz SXPLPOWBLULIDG-DHDCSXOGSA-N -1 1 361.875 4.408 40 10 FICBMM O=C1[N-]C(=S)S/C1=C\c1ccc(OCc2ccccc2Cl)cc1 ZINC000015938409 220172706 /nfs/dbraw/zinc/17/27/06/220172706.db2.gz BQYXDQFLBJWBBL-DHDCSXOGSA-N -1 1 361.875 4.408 40 10 FICBMM Cc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(C)n1C1CCCCC1 ZINC000033914840 571309827 /nfs/dbraw/zinc/30/98/27/571309827.db2.gz XZQCZSOITPXIQH-ZHZULCJRSA-N -1 1 363.461 4.072 40 10 FICBMM CN1c2ccccc2Sc2cc(C=C3SC(=S)[N-]C3=O)ccc21 ZINC000017302228 570871691 /nfs/dbraw/zinc/87/16/91/570871691.db2.gz OVKSOKMSQCCZAZ-OQLLNIDSSA-N -1 1 356.497 4.408 40 10 FICBMM [O-]c1c([C@H](c2cccs2)N2CCOCC2)cc(Cl)c2cccnc12 ZINC000021486896 220358255 /nfs/dbraw/zinc/35/82/55/220358255.db2.gz FWVVEWDVWDDJEG-QGZVFWFLSA-N -1 1 360.866 4.077 40 10 FICBMM Cc1[n-]n(-c2ccc(C)cc2)c(=O)c1C=Nc1ccccc1Br ZINC000100922851 222257725 /nfs/dbraw/zinc/25/77/25/222257725.db2.gz ZHWJESVUZVMDHE-PTNGSMBKSA-N -1 1 370.250 4.476 40 10 FICBMM Cc1ccc(C)n1N1C(=O)/C(=C\c2ccc([O-])c(Cl)c2)SC1=S ZINC000409195304 570738536 /nfs/dbraw/zinc/73/85/36/570738536.db2.gz OHKCSPZDTDPZGX-RIYZIHGNSA-N -1 1 364.879 4.001 40 10 FICBMM CC[C@@H](C)Oc1c(Cl)cc(C=C2SC(=S)[N-]C2=O)cc1OC ZINC000006168200 1121199517 /nfs/dbraw/zinc/19/95/17/1121199517.db2.gz LZFAZXMHSKXAIU-LQGZHCLWSA-N -1 1 357.884 4.015 40 10 FICBMM CC[C@@H](C)n1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c2ccccc21 ZINC000033387115 571309668 /nfs/dbraw/zinc/30/96/68/571309668.db2.gz SARICJUUIWHHFP-JPVKTXQWSA-N -1 1 359.429 4.074 40 10 FICBMM