smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C(=O)C12C3(C(=O)[O-])C4C5(C(=O)[O-])C3C1(C(=O)[O-])C5C42C(=O)[O-])C(C)(C)C	ZINC000001647635	212251893	/nfs/dbraw/zinc/25/18/93/212251893.db2.gz	ZEPFVKBECFBXLF-UHFFFAOYSA-N	-4	0	393.348	-0.570	40	0		GBABRL
O=C([O-])c1cc(=O)n(CCCCCCn2c(=O)cc(C(=O)[O-])[nH]c2=O)c(=O)[nH]1	ZINC000001760205	570268075	/nfs/dbraw/zinc/26/80/75/570268075.db2.gz	KEPFMWAUHOPSKP-UHFFFAOYSA-N	-2	0	394.340	-0.956	40	0		GBABRL
CSc1ncnc2c1ccn2[C@H]1O[C@@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O	ZINC000005462303	530073513	/nfs/dbraw/zinc/07/35/13/530073513.db2.gz	RDLNVHQUQZBWDF-HAYRHPOISA-N	-2	0	377.315	-0.118	40	0		GBABRL
CSc1ncnc2c1ccn2[C@@H]1O[C@@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O	ZINC000005462306	530073473	/nfs/dbraw/zinc/07/34/73/530073473.db2.gz	RDLNVHQUQZBWDF-FNOROQBZSA-N	-2	0	377.315	-0.118	40	0		GBABRL
CSc1ncnc2c1ccn2[C@H]1O[C@@H](COP(=O)([O-])[O-])[C@@H](O)[C@@H]1O	ZINC000005462309	530073105	/nfs/dbraw/zinc/07/31/05/530073105.db2.gz	RDLNVHQUQZBWDF-NHRVJRKFSA-N	-2	0	377.315	-0.118	40	0		GBABRL
CSc1ncnc2c1ccn2[C@@H]1O[C@@H](COP(=O)([O-])[O-])[C@@H](O)[C@@H]1O	ZINC000005462310	530073493	/nfs/dbraw/zinc/07/34/93/530073493.db2.gz	RDLNVHQUQZBWDF-KIKITERTSA-N	-2	0	377.315	-0.118	40	0		GBABRL
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N(CC(=O)[O-])[C@@H]1CCS(=O)(=O)C1	ZINC000013030301	530131162	/nfs/dbraw/zinc/13/11/62/530131162.db2.gz	GZIGAOQVKIKBRX-LLVKDONJSA-N	-2	0	391.423	-0.044	40	0		GBABRL
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N(CC(=O)[O-])[C@H]1CCS(=O)(=O)C1	ZINC000013030303	530131209	/nfs/dbraw/zinc/13/12/09/530131209.db2.gz	GZIGAOQVKIKBRX-NSHDSACASA-N	-2	0	391.423	-0.044	40	0		GBABRL
[NH3+]CCCCCC(=O)NCCCC[C@@H](C(=O)[O-])N(CC(=O)[O-])CC(=O)[O-]	ZINC000022048133	570778848	/nfs/dbraw/zinc/77/88/48/570778848.db2.gz	FHJGDBAWMRVKAB-LBPRGKRZSA-N	-2	0	375.422	-0.284	40	0	in-vitro	GBABRL
Nc1ccn([C@@H]2CS[C@H](CO[P@@](=O)([O-])OP(=O)([O-])[O-])O2)c(=O)n1	ZINC000038836361	205040978	/nfs/dbraw/zinc/04/09/78/205040978.db2.gz	AAHOBGDTTMOZKD-NKWVEPMBSA-N	-3	0	389.219	-0.360	40	0	in-man	GBABRL
O=C([O-])N1CCN(C(=O)[O-])CCN(C(=O)[O-])[C@H](CO)CN(C(=O)[O-])CC1	ZINC000068606631	222171121	/nfs/dbraw/zinc/17/11/21/222171121.db2.gz	VAJVSBKESRFLAZ-VIFPVBQESA-N	-4	0	378.338	-0.719	40	0		GBABRL
O=C([O-])N1CCN(C(=O)[O-])CCN(C(=O)[O-])[C@@H](CO)CN(C(=O)[O-])CC1	ZINC000068606635	222171758	/nfs/dbraw/zinc/17/17/58/222171758.db2.gz	VAJVSBKESRFLAZ-SECBINFHSA-N	-4	0	378.338	-0.719	40	0		GBABRL