smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])[O-]	ZINC000004096183	560193823	/nfs/dbraw/zinc/19/38/23/560193823.db2.gz	AJFWMDFTVVFMHY-NSHDSACASA-N	-2	0	400.390	-0.615	10	0	in-vitro	HBAERL
CC(C)=CCNc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O	ZINC000004096521	560194155	/nfs/dbraw/zinc/19/41/55/560194155.db2.gz	DUISZFLWBAPRBR-SDBHATRESA-N	-2	0	415.343	-0.067	10	0	in-vitro	HBAERL
Cc1cn([C@H]2C[C@H](O)[C@@H](CO[P@@](=O)([O-])OP(=O)([O-])[O-])O2)c(=O)nc1N	ZINC000008219122	560207326	/nfs/dbraw/zinc/20/73/26/560207326.db2.gz	SHFOWZBOBJJZAP-XLPZGREQSA-N	-3	0	401.205	-0.991	10	0	in-vitro	HBAERL
CSCC[C@H](NC=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-]	ZINC000013550236	558538975	/nfs/dbraw/zinc/53/89/75/558538975.db2.gz	PGMPHASGNWQJQY-AVGNSLFASA-N	-2	0	419.500	-0.181	10	0		HBAERL
CC[C@]1(c2ccccc2)C(=O)[N-]C(=O)N([C@@H]2O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]2O)C1=O	ZINC000038559172	569001321	/nfs/dbraw/zinc/00/13/21/569001321.db2.gz	QMKGHGCGTFFYNT-QIWDCHSSSA-N	-2	0	408.363	-0.855	10	0	in-vitro	HBAERL
CC[C@@]1(c2ccccc2)C(=O)[N-]C(=O)N([C@@H]2O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]2O)C1=O	ZINC000038797653	558815799	/nfs/dbraw/zinc/81/57/99/558815799.db2.gz	QMKGHGCGTFFYNT-YUIGDUHYSA-N	-2	0	408.363	-0.855	10	0	in-vitro	HBAERL
Nc1ncc(/C(=C\CC(=O)[O-])C(=O)N[C@@H]2C(=O)N3C(C(=O)[O-])=CCS[C@H]23)s1	ZINC000065735223	569393211	/nfs/dbraw/zinc/39/32/11/569393211.db2.gz	RTEIAVXUFXNVQE-VTSZRNMSSA-N	-2	0	410.433	-0.048	10	0	in-vitro	HBAERL
Nc1ncc(/C(=C/CC(=O)[O-])C(=O)N[C@@H]2C(=O)N3C(C(=O)[O-])=CCS[C@H]23)s1	ZINC000065735225	569393270	/nfs/dbraw/zinc/39/32/70/569393270.db2.gz	RTEIAVXUFXNVQE-BJCIPQKHSA-N	-2	0	410.433	-0.048	10	0	in-vitro	HBAERL
C/C(=C\C=C\C[C@@H](C)[C@H](CC(=O)[O-])O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)[O-]	ZINC000238747691	291161146	/nfs/dbraw/zinc/16/11/46/291161146.db2.gz	WHRWRZSKZMYJOX-GPSLNCNOSA-N	-2	0	404.412	-0.741	10	0		HBAERL