smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCC[C@H](C)Oc1ccc(OP(=O)([O-])[O-])cc1 ZINC001234331069 1054502286 /nfs/dbraw/zinc/50/22/86/1054502286.db2.gz BJAYRKYQHZPMTR-ZDUSSCGKSA-N -2 0 316.334 4.286 20 30 DIEDRL CC(C)[C@@H](C#N)c1ccc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc1 ZINC001242162043 1057284460 /nfs/dbraw/zinc/28/44/60/1057284460.db2.gz BFZGFZFQVUUCTH-QGZVFWFLSA-N -2 0 323.348 4.013 20 30 DIEDRL C=C[C@H](CCCCCC)Oc1ccc(OP(=O)([O-])[O-])cc1 ZINC001234333776 1054503570 /nfs/dbraw/zinc/50/35/70/1054503570.db2.gz ZCPINWYETAZGDO-CYBMUJFWSA-N -2 0 314.318 4.062 20 30 DIEDRL O=C([O-])c1cc(-c2ccccc2C=N[O-])c(Cl)cc1Cl ZINC001245002108 1058089568 /nfs/dbraw/zinc/08/95/68/1058089568.db2.gz GUODGZZNMFVHFC-UHFFFAOYSA-N -2 0 310.136 4.167 20 30 DIEDRL N#Cc1cc(Nc2cc(Cl)c([O-])c(Cl)c2)c([O-])cc1F ZINC001210929350 1037062494 /nfs/dbraw/zinc/06/24/94/1037062494.db2.gz YKCLBMLIQLZYSB-UHFFFAOYSA-N -2 0 313.115 4.159 20 30 DIEDRL N#Cc1c([O-])csc1Nc1cc(Cl)c([O-])c(Cl)c1 ZINC001210927184 1050417499 /nfs/dbraw/zinc/41/74/99/1050417499.db2.gz RILXWRNTWSNGJQ-UHFFFAOYSA-N -2 0 301.154 4.081 20 30 DIEDRL CCCCCCC[C@@H](C)Oc1ccc(OP(=O)([O-])[O-])cc1 ZINC001234331066 1054503205 /nfs/dbraw/zinc/50/32/05/1054503205.db2.gz BJAYRKYQHZPMTR-CYBMUJFWSA-N -2 0 316.334 4.286 20 30 DIEDRL [O-]/N=C/c1ccc(-c2cc(Cl)c([O-])c(Cl)c2)cc1F ZINC001242852828 1057499166 /nfs/dbraw/zinc/49/91/66/1057499166.db2.gz DOHONEUBHJSSKQ-UBKPWBPPSA-N -2 0 300.116 4.313 20 30 DIEDRL CC(C)[C@H](C#N)c1ccc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc1 ZINC001242162041 1057284852 /nfs/dbraw/zinc/28/48/52/1057284852.db2.gz BFZGFZFQVUUCTH-KRWDZBQOSA-N -2 0 323.348 4.013 20 30 DIEDRL O=C([O-])c1cc(Cl)c(-c2ccccc2C=N[O-])c(Cl)c1 ZINC001244516412 1057983424 /nfs/dbraw/zinc/98/34/24/1057983424.db2.gz QJJUKWICMFCHHT-UHFFFAOYSA-N -2 0 310.136 4.167 20 30 DIEDRL C=C[C@@H](CCCCCC)Oc1ccc(OP(=O)([O-])[O-])cc1 ZINC001234333777 1054503026 /nfs/dbraw/zinc/50/30/26/1054503026.db2.gz ZCPINWYETAZGDO-ZDUSSCGKSA-N -2 0 314.318 4.062 20 30 DIEDRL C[C@H](OC(F)(F)c1ccccc1/C(Cl)=N/[O-])C1=CC=C[CH]1 ZINC001222939741 1052548854 /nfs/dbraw/zinc/54/88/54/1052548854.db2.gz IQBSNZZLBVQXBR-NSYNCBPISA-N -2 0 312.723 4.216 20 30 DIEDRL CC(C)(Nc1cc([S-])cc([S-])c1)c1ccc(C#N)cc1 ZINC001165759955 1048714400 /nfs/dbraw/zinc/71/44/00/1048714400.db2.gz HBLRUUJNZGVFAH-UHFFFAOYSA-N -2 0 300.452 4.483 20 30 DIEDRL C[C@@H](OC(F)(F)c1ccccc1/C(Cl)=N/[O-])C1=CC=C[CH]1 ZINC001222939742 1052549287 /nfs/dbraw/zinc/54/92/87/1052549287.db2.gz IQBSNZZLBVQXBR-OIURLTOFSA-N -2 0 312.723 4.216 20 30 DIEDRL