smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCC[C@H](CC)OCCCCP(=O)([O-])[O-] ZINC001225019001 1050225923 /nfs/dbraw/zinc/22/59/23/1050225923.db2.gz NZOKNEWTQOHFAH-HNNXBMFYSA-N -2 3 308.399 4.490 20 30 DIEDHL CCOc1cc(C=CC(=O)c2sccc2[O-])cc(Cl)c1[O-] ZINC000771746333 1050279884 /nfs/dbraw/zinc/27/98/84/1050279884.db2.gz ZMCDCCAIWWUGSJ-ARJAWSKDSA-N -2 3 324.785 4.108 20 30 DIEDHL N#Cc1ccc([O-])c(Nc2cc(C(=O)[O-])c(Cl)cc2Cl)c1 ZINC001216359467 1051718736 /nfs/dbraw/zinc/71/87/36/1051718736.db2.gz KMUVRGITNLBLJU-UHFFFAOYSA-N -2 3 323.135 4.012 20 30 DIEDHL CCCCCCCCCCC[C@@H](C)OCCP(=O)([O-])[O-] ZINC001224603543 1052708926 /nfs/dbraw/zinc/70/89/26/1052708926.db2.gz ZRPDUEQUYBIEPR-OAHLLOKOSA-N -2 3 308.399 4.490 20 30 DIEDHL CCCCCCC[C@H](CCC)OCCCCP(=O)([O-])[O-] ZINC001225018566 1052743863 /nfs/dbraw/zinc/74/38/63/1052743863.db2.gz AUMVADKGCULVMU-HNNXBMFYSA-N -2 3 308.399 4.490 20 30 DIEDHL C#C[C@@H](CCCCCCCCCCC)OCCP(=O)([O-])[O-] ZINC001224603207 1052708767 /nfs/dbraw/zinc/70/87/67/1052708767.db2.gz WFVPDBAHMNXVIJ-INIZCTEOSA-N -2 3 318.394 4.103 20 30 DIEDHL CC(=NNc1ccccc1C(=O)[O-])c1ccc2ccccc2c1[O-] ZINC000812441643 1041621475 /nfs/dbraw/zinc/62/14/75/1041621475.db2.gz DIALZDSHHZOFQF-UHFFFAOYSA-N -2 3 320.348 4.080 20 30 DIEDHL CCOc1cc(C=CC(=O)c2sccc2[O-])cc(Cl)c1[O-] ZINC000771746334 1050278920 /nfs/dbraw/zinc/27/89/20/1050278920.db2.gz ZMCDCCAIWWUGSJ-ONEGZZNKSA-N -2 3 324.785 4.108 20 30 DIEDHL CCCCCCCCCCC[C@H](C)OCCP(=O)([O-])[O-] ZINC001224603541 1052708726 /nfs/dbraw/zinc/70/87/26/1052708726.db2.gz ZRPDUEQUYBIEPR-HNNXBMFYSA-N -2 3 308.399 4.490 20 30 DIEDHL [O-]/N=C/c1cc(-c2c(F)ccc([O-])c2F)cc(C(F)(F)F)c1 ZINC001241293442 1057001454 /nfs/dbraw/zinc/00/14/54/1057001454.db2.gz GBGQGZVDLSSFAH-CGOBSMCZSA-N -2 3 317.213 4.164 20 30 DIEDHL O=C(/C=C/c1cc(Cl)c([O-])cc1Cl)c1ccc([O-])cc1 ZINC000759072774 1046313202 /nfs/dbraw/zinc/31/32/02/1046313202.db2.gz LEBMSYQRWFQBMF-ZZXKWVIFSA-N -2 3 309.148 4.301 20 30 DIEDHL C#C[C@H](CCCCCCCCCCC)OCCP(=O)([O-])[O-] ZINC001224603208 1052708982 /nfs/dbraw/zinc/70/89/82/1052708982.db2.gz WFVPDBAHMNXVIJ-MRXNPFEDSA-N -2 3 318.394 4.103 20 30 DIEDHL CCCCCCCC[C@@H](CC)OCCCCP(=O)([O-])[O-] ZINC001225019002 1050226058 /nfs/dbraw/zinc/22/60/58/1050226058.db2.gz NZOKNEWTQOHFAH-OAHLLOKOSA-N -2 3 308.399 4.490 20 30 DIEDHL N#Cc1cc(Nc2c(Cl)cc(C(=O)[O-])cc2Cl)ccc1[O-] ZINC001214516987 1050931067 /nfs/dbraw/zinc/93/10/67/1050931067.db2.gz LMMFRXUTLCPUTP-UHFFFAOYSA-N -2 3 323.135 4.012 20 30 DIEDHL CCCCCCC[C@@H](CCC)OCCCCP(=O)([O-])[O-] ZINC001225018567 1052743765 /nfs/dbraw/zinc/74/37/65/1052743765.db2.gz AUMVADKGCULVMU-OAHLLOKOSA-N -2 3 308.399 4.490 20 30 DIEDHL [O-]/N=C/c1cc(-c2cc(F)cc(F)c2[O-])cc(C(F)(F)F)c1 ZINC001243506534 1057697535 /nfs/dbraw/zinc/69/75/35/1057697535.db2.gz XYMQHQFSNSHZRJ-CGOBSMCZSA-N -2 3 317.213 4.164 20 30 DIEDHL CCOc1cc(/C=C\C(=O)c2ccccc2[O-])cc(Cl)c1[O-] ZINC000757476234 1046177077 /nfs/dbraw/zinc/17/70/77/1046177077.db2.gz WVNMWZXUBXEWCD-FPLPWBNLSA-N -2 3 318.756 4.046 20 30 DIEDHL N#Cc1ccc([O-])c(Nc2c(Cl)cc(C(=O)[O-])cc2Cl)c1 ZINC001214514863 1050932298 /nfs/dbraw/zinc/93/22/98/1050932298.db2.gz YNHPBCNWODZWAK-UHFFFAOYSA-N -2 3 323.135 4.012 20 30 DIEDHL O=C(/C=C\c1cc(Cl)c([O-])cc1Cl)c1ccc([O-])cc1 ZINC000759072755 1046314167 /nfs/dbraw/zinc/31/41/67/1046314167.db2.gz LEBMSYQRWFQBMF-UTCJRWHESA-N -2 3 309.148 4.301 20 30 DIEDHL C/C(=N\[O-])c1ccc(-c2ccc(Cl)c(C(=O)[O-])c2F)cc1 ZINC001236177424 1054979686 /nfs/dbraw/zinc/97/96/86/1054979686.db2.gz GQNXFOSTALDEHD-QGMBQPNBSA-N -2 3 307.708 4.043 20 30 DIEDHL Cc1c(C(=O)[O-])ccc(-c2ccc3c(c2)CC/C3=N/[O-])c1Cl ZINC001236129432 1054962790 /nfs/dbraw/zinc/96/27/90/1054962790.db2.gz SXEKQEZOLWPGFZ-CYVLTUHYSA-N -2 3 315.756 4.138 20 30 DIEDHL C/C(=N\[O-])c1ccc(-c2cc(C(=O)[O-])c(Cl)cc2F)cc1 ZINC001244612926 1058009960 /nfs/dbraw/zinc/00/99/60/1058009960.db2.gz COSICALSCDJYKB-QGMBQPNBSA-N -2 3 307.708 4.043 20 30 DIEDHL [O-]/N=C/c1cc(-c2c(F)cc([O-])cc2F)cc(C(F)(F)F)c1 ZINC001241122367 1056907437 /nfs/dbraw/zinc/90/74/37/1056907437.db2.gz BDQXOGPEOYSDMR-CGOBSMCZSA-N -2 3 317.213 4.164 20 30 DIEDHL CC(C)(C)c1noc([N-]c2c(Cl)ccc([O-])c2F)c1C#N ZINC001214555917 1050939994 /nfs/dbraw/zinc/93/99/94/1050939994.db2.gz AMUYNGOVXFGKCG-UHFFFAOYSA-N -2 3 309.728 4.085 20 30 DIEDHL CCCCCCCCC[C@H](C)OCCCCP(=O)([O-])[O-] ZINC001225018643 1052744170 /nfs/dbraw/zinc/74/41/70/1052744170.db2.gz DJOSPHOAGWLTEM-HNNXBMFYSA-N -2 3 308.399 4.490 20 30 DIEDHL CCOc1cc(/C=C/C(=O)c2ccccc2[O-])cc(Cl)c1[O-] ZINC000757476232 1046176941 /nfs/dbraw/zinc/17/69/41/1046176941.db2.gz WVNMWZXUBXEWCD-BQYQJAHWSA-N -2 3 318.756 4.046 20 30 DIEDHL CC(=NNc1cccc(C(=O)[O-])c1)c1ccc2ccccc2c1[O-] ZINC000916255185 1052596584 /nfs/dbraw/zinc/59/65/84/1052596584.db2.gz IICXHGWWNFQBTN-UHFFFAOYSA-N -2 3 320.348 4.080 20 30 DIEDHL CCCCCCCCC[C@@H](C)OCCCCP(=O)([O-])[O-] ZINC001225018644 1052743790 /nfs/dbraw/zinc/74/37/90/1052743790.db2.gz DJOSPHOAGWLTEM-OAHLLOKOSA-N -2 3 308.399 4.490 20 30 DIEDHL C/C(=N\[O-])c1ccc(-c2ccc(C(=O)[O-])c(C)c2Cl)cc1 ZINC001236129330 1054962349 /nfs/dbraw/zinc/96/23/49/1054962349.db2.gz PVALEIZLMWPSIV-VCHYOVAHSA-N -2 3 303.745 4.212 20 30 DIEDHL CC(C)(C)c1noc([N-]c2c(F)ccc([O-])c2Cl)c1C#N ZINC001250229734 1060708349 /nfs/dbraw/zinc/70/83/49/1060708349.db2.gz MTRQCYHTMGWGBP-UHFFFAOYSA-N -2 3 309.728 4.085 20 30 DIEDHL