smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@H](Nc1ccccc1OC)c1cc(Br)ccc1[O-] ZINC000019901961 212080440 /nfs/dbraw/zinc/08/04/40/212080440.db2.gz JGVDYNXZLFLUIU-ZDUSSCGKSA-N -1 3 336.229 4.727 20 10 EJCDHM CC[C@@H](Nc1ccccc1OC)c1cc(Br)ccc1[O-] ZINC000019901960 212080832 /nfs/dbraw/zinc/08/08/32/212080832.db2.gz JGVDYNXZLFLUIU-CYBMUJFWSA-N -1 3 336.229 4.727 20 10 EJCDHM CC[C@H](Nc1cccc(OC)c1)c1cc(Br)ccc1[O-] ZINC000019964111 212090266 /nfs/dbraw/zinc/09/02/66/212090266.db2.gz AWHBQYSITKGLIT-HNNXBMFYSA-N -1 3 336.229 4.727 20 10 EJCDHM CC[C@@H](Nc1cccc(OC)c1)c1cc(Br)ccc1[O-] ZINC000019964110 212090662 /nfs/dbraw/zinc/09/06/62/212090662.db2.gz AWHBQYSITKGLIT-OAHLLOKOSA-N -1 3 336.229 4.727 20 10 EJCDHM CC[C@@H](Nc1ccc(OC)cc1)c1cc(Br)ccc1[O-] ZINC000019964808 212090695 /nfs/dbraw/zinc/09/06/95/212090695.db2.gz RKDQBVQSEASSOT-OAHLLOKOSA-N -1 3 336.229 4.727 20 10 EJCDHM CC[C@H](Nc1ccc(OC)cc1)c1cc(Br)ccc1[O-] ZINC000019964809 212090528 /nfs/dbraw/zinc/09/05/28/212090528.db2.gz RKDQBVQSEASSOT-HNNXBMFYSA-N -1 3 336.229 4.727 20 10 EJCDHM