smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=C(C)[C@H](O)Cc1cc(-c2cc(O)c3c(=O)cc(O)cc-3o2)cc(CC=C(C)C)c1O ZINC000014780848 291272171 /nfs/dbraw/zinc/27/21/71/291272171.db2.gz FIZBURLMLRCZTA-LJQANCHMSA-N 0 2 422.477 4.565 1 30 biogenic,in-vitro HJEFLN C=C(C)[C@H](O)Cc1cc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc(CC=C(C)C)c1O ZINC000014780848 291272175 /nfs/dbraw/zinc/27/21/75/291272175.db2.gz FIZBURLMLRCZTA-LJQANCHMSA-N 0 2 422.477 4.565 1 30 biogenic,in-vitro HJEFLN C=C(C)[C@@H](O)Cc1c(O)cc2occ(-c3ccc(O)c(CC=C(C)C)c3)c(O)c-2c1=O ZINC000014780931 291271935 /nfs/dbraw/zinc/27/19/35/291271935.db2.gz ALEUBOFIDHNMTA-FQEVSTJZSA-N 0 2 422.477 4.565 1 30 biogenic,in-vitro HJEFLN C=C(C)[C@@H](O)Cc1c(O)c2c(O)c(-c3ccc(O)c(CC=C(C)C)c3)coc-2cc1=O ZINC000014780931 291271936 /nfs/dbraw/zinc/27/19/36/291271936.db2.gz ALEUBOFIDHNMTA-FQEVSTJZSA-N 0 2 422.477 4.565 1 30 biogenic,in-vitro HJEFLN C=C(C)[C@@H](O)Cc1cc(-c2cc(O)c3c(=O)cc(O)cc-3o2)cc(CC=C(C)C)c1O ZINC000014780851 560226281 /nfs/dbraw/zinc/22/62/81/560226281.db2.gz FIZBURLMLRCZTA-IBGZPJMESA-N 0 2 422.477 4.565 1 30 in-vitro HJEFLN C=C(C)[C@@H](O)Cc1cc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc(CC=C(C)C)c1O ZINC000014780851 560226283 /nfs/dbraw/zinc/22/62/83/560226283.db2.gz FIZBURLMLRCZTA-IBGZPJMESA-N 0 2 422.477 4.565 1 30 in-vitro HJEFLN C=C(C)[C@@H](O)Cc1cc(-c2cc(O)c3c(=O)cc(O)cc-3o2)cc2c1OC(C)(C)C=C2 ZINC000014886837 560227459 /nfs/dbraw/zinc/22/74/59/560227459.db2.gz ZAUWPDSVLSOCDG-SFHVURJKSA-N 0 2 420.461 4.535 1 30 in-vitro HJEFLN C=C(C)[C@@H](O)Cc1cc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc2c1OC(C)(C)C=C2 ZINC000014886837 560227460 /nfs/dbraw/zinc/22/74/60/560227460.db2.gz ZAUWPDSVLSOCDG-SFHVURJKSA-N 0 2 420.461 4.535 1 30 in-vitro HJEFLN C=C(C)[C@H](O)Cc1cc(-c2cc(O)c3c(=O)cc(O)cc-3o2)cc2c1OC(C)(C)C=C2 ZINC000014886840 291272122 /nfs/dbraw/zinc/27/21/22/291272122.db2.gz ZAUWPDSVLSOCDG-GOSISDBHSA-N 0 2 420.461 4.535 1 30 biogenic,in-vitro HJEFLN C=C(C)[C@H](O)Cc1cc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc2c1OC(C)(C)C=C2 ZINC000014886840 291272127 /nfs/dbraw/zinc/27/21/27/291272127.db2.gz ZAUWPDSVLSOCDG-GOSISDBHSA-N 0 2 420.461 4.535 1 30 biogenic,in-vitro HJEFLN