smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=P([O-])(O)C(O)(Cc1ccc(Cl)cc1)[P@@](=O)([O-])O	ZINC000039419659	183018834	/nfs/dbraw/zinc/01/88/34/183018834.db2.gz	MLRLLSRGLQXHLC-UHFFFAOYSA-N	-2	2	316.570	0.884	10	0		DCAELL
O=P([O-])(O)C(O)(Cc1ccc(Cl)cc1)[P@](=O)([O-])O	ZINC000039419659	183018838	/nfs/dbraw/zinc/01/88/38/183018838.db2.gz	MLRLLSRGLQXHLC-UHFFFAOYSA-N	-2	2	316.570	0.884	10	0		DCAELL
Cc1ncc(S(=O)(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)[O-])s1	ZINC000230012490	395877515	/nfs/dbraw/zinc/87/75/15/395877515.db2.gz	WVDUEJZQFDPQPE-QMMMGPOBSA-N	-2	2	316.364	0.149	10	0		DCAELL
[NH3+]CCCCCCCC(O)(P(=O)([O-])O)[P@@](=O)([O-])O	ZINC000166070077	396088609	/nfs/dbraw/zinc/08/86/09/396088609.db2.gz	LEWJCGSLUNRPMZ-UHFFFAOYSA-N	-3	2	305.204	0.287	10	0		DCAELL
O=C([O-])c1ccc(CC(P(=O)([O-])O)[P@](=O)([O-])O)cc1	ZINC000147898426	395967440	/nfs/dbraw/zinc/96/74/40/395967440.db2.gz	UXPQPXJISKEKLJ-UHFFFAOYSA-N	-3	2	310.135	0.609	10	0		DCAELL
O=C([O-])c1ccc(CC(P(=O)([O-])O)[P@@](=O)([O-])O)cc1	ZINC000147898426	395967443	/nfs/dbraw/zinc/96/74/43/395967443.db2.gz	UXPQPXJISKEKLJ-UHFFFAOYSA-N	-5	2	310.135	0.609	10	0		DCAELL
O=C(NC1(c2nn[nH]n2)CC1)C1=NN(c2ccccc2)CC1=O	ZINC000357096781	416034173	/nfs/dbraw/zinc/03/41/73/416034173.db2.gz	OICUDXIBDHLOGA-UHFFFAOYSA-N	-2	2	311.305	0.510	10	0		DCAELL
CCCCOCCCN(CP(=O)([O-])O)C[P@@](=O)([O-])O	ZINC000038637327	183005693	/nfs/dbraw/zinc/00/56/93/183005693.db2.gz	LVOJNULPXOXYRA-UHFFFAOYSA-N	-2	2	319.231	0.766	10	0		DCAELL
CCCCOCCCN(CP(=O)([O-])O)C[P@](=O)([O-])O	ZINC000038637327	183005696	/nfs/dbraw/zinc/00/56/96/183005696.db2.gz	LVOJNULPXOXYRA-UHFFFAOYSA-N	-2	2	319.231	0.766	10	0		DCAELL
O=P([O-])(O)C(Cn1cnc2ccccc21)[P@](=O)([O-])O	ZINC000033818248	581102186	/nfs/dbraw/zinc/10/21/86/581102186.db2.gz	ISSICOMKRRPVPD-UHFFFAOYSA-N	-2	2	306.151	0.718	10	0	in-vivo	DCAELL
O=P([O-])(O)C(Cn1cnc2ccccc21)[P@@](=O)([O-])O	ZINC000033818248	581102187	/nfs/dbraw/zinc/10/21/87/581102187.db2.gz	ISSICOMKRRPVPD-UHFFFAOYSA-N	-2	2	306.151	0.718	10	0	in-vivo	DCAELL
Cc1ncc(S(=O)(=O)N[C@H](Cc2c[nH]c[nH+]2)C(=O)[O-])s1	ZINC000230012492	395877418	/nfs/dbraw/zinc/87/74/18/395877418.db2.gz	WVDUEJZQFDPQPE-MRVPVSSYSA-N	-2	2	316.364	0.149	10	0		DCAELL