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)OC[C@@H](O)[C@@H](OCc1ccccc1)[C@@H](O)CO	ZINC000040514480	183088856	/nfs/dbraw/zinc/08/88/56/183088856.db2.gz	NJQQIRIKJARUSN-TUAOUCFPSA-N	-1	2	322.250	-0.605	1	0		DBAFLM
O=[P@@]([O-])(O)OC[C@@H](O)[C@@H](OCc1ccccc1)[C@@H](O)CO	ZINC000040514480	183088858	/nfs/dbraw/zinc/08/88/58/183088858.db2.gz	NJQQIRIKJARUSN-TUAOUCFPSA-N	-1	2	322.250	-0.605	1	0		DBAFLM
O=C([O-])[C@@H]1CN(Cc2ccccc2[P@](=O)([O-])O)CC[NH2+]1	ZINC000022934003	182342008	/nfs/dbraw/zinc/34/20/08/182342008.db2.gz	GLHOMHOXQUGNPP-JTQLQIEISA-N	-1	2	300.251	-0.652	1	0		DBAFLM
O=C([O-])[C@@H]1CN(Cc2ccccc2[P@@](=O)([O-])O)CC[NH2+]1	ZINC000022934003	182342009	/nfs/dbraw/zinc/34/20/09/182342009.db2.gz	GLHOMHOXQUGNPP-JTQLQIEISA-N	-1	2	300.251	-0.652	1	0		DBAFLM
O=[P@]([O-])(O)OC[C@@H](O)[C@H](OCc1ccccc1)[C@@H](O)CO	ZINC000040514482	183088657	/nfs/dbraw/zinc/08/86/57/183088657.db2.gz	NJQQIRIKJARUSN-QJPTWQEYSA-N	-1	2	322.250	-0.605	1	0		DBAFLM
O=[P@@]([O-])(O)OC[C@@H](O)[C@H](OCc1ccccc1)[C@@H](O)CO	ZINC000040514482	183088660	/nfs/dbraw/zinc/08/86/60/183088660.db2.gz	NJQQIRIKJARUSN-QJPTWQEYSA-N	-1	2	322.250	-0.605	1	0		DBAFLM
Nc1nc2c(c(=O)[nH]1)NCN2C[C@H](CF)OC[P@@](=O)([O-])O	ZINC000042967225	183324210	/nfs/dbraw/zinc/32/42/10/183324210.db2.gz	AICLCLQIJAKRBW-YFKPBYRVSA-N	-1	2	323.221	-0.969	1	0		DBAFLM
Nc1nc2c(c(=O)[nH]1)NCN2C[C@H](CF)OC[P@](=O)([O-])O	ZINC000042967225	183324212	/nfs/dbraw/zinc/32/42/12/183324212.db2.gz	AICLCLQIJAKRBW-YFKPBYRVSA-N	-1	2	323.221	-0.969	1	0		DBAFLM
CCOC(=O)CCCCCNC([O-])=C1C(=O)NC(=O)NC1=O	ZINC000015952228	182025933	/nfs/dbraw/zinc/02/59/33/182025933.db2.gz	DQPDCWXZRTZSAE-UHFFFAOYSA-N	-1	2	313.310	-0.165	3	0		DBAFLM
Nc1nc2c(ncn2CCCCO[P@@](=O)([O-])O)c(N)n1	ZINC000043067477	183333956	/nfs/dbraw/zinc/33/39/56/183333956.db2.gz	QNFCGSXHQSIIEB-UHFFFAOYSA-N	-1	2	302.231	-0.120	1	0		DBAFLM
Nc1nc2c(ncn2CCCCO[P@](=O)([O-])O)c(N)n1	ZINC000043067477	183333958	/nfs/dbraw/zinc/33/39/58/183333958.db2.gz	QNFCGSXHQSIIEB-UHFFFAOYSA-N	-1	2	302.231	-0.120	1	0		DBAFLM
O=C([O-])[C@H]1CN(Cc2ccccc2[P@](=O)([O-])O)CC[NH2+]1	ZINC000022934007	182342863	/nfs/dbraw/zinc/34/28/63/182342863.db2.gz	GLHOMHOXQUGNPP-SNVBAGLBSA-N	-1	2	300.251	-0.652	1	0		DBAFLM
O=C([O-])[C@H]1CN(Cc2ccccc2[P@@](=O)([O-])O)CC[NH2+]1	ZINC000022934007	182342864	/nfs/dbraw/zinc/34/28/64/182342864.db2.gz	GLHOMHOXQUGNPP-SNVBAGLBSA-N	-1	2	300.251	-0.652	1	0		DBAFLM
Nc1nc2c(c(=O)[nH]1)NCN2C[C@@H](CF)OC[P@@](=O)([O-])O	ZINC000042967223	183324587	/nfs/dbraw/zinc/32/45/87/183324587.db2.gz	AICLCLQIJAKRBW-RXMQYKEDSA-N	-1	2	323.221	-0.969	1	0		DBAFLM
Nc1nc2c(c(=O)[nH]1)NCN2C[C@@H](CF)OC[P@](=O)([O-])O	ZINC000042967223	183324589	/nfs/dbraw/zinc/32/45/89/183324589.db2.gz	AICLCLQIJAKRBW-RXMQYKEDSA-N	-1	2	323.221	-0.969	1	0		DBAFLM
CCCn1cc[n+](CC(O)(P(=O)([O-])O)[P@@](=O)([O-])O)c1	ZINC000095589504	185382222	/nfs/dbraw/zinc/38/22/22/185382222.db2.gz	RBRGNVBEWHKUNL-UHFFFAOYSA-O	-1	2	315.179	-0.813	1	0		DBAFLM
CCCn1cc[n+](CC(O)(P(=O)([O-])O)[P@](=O)([O-])O)c1	ZINC000095589504	185382223	/nfs/dbraw/zinc/38/22/23/185382223.db2.gz	RBRGNVBEWHKUNL-UHFFFAOYSA-O	-1	2	315.179	-0.813	1	0		DBAFLM
Nc1ccn([C@H]2C[C@H](O)[C@@H](CO[P@@](=O)([O-])O)S2)c(=O)n1	ZINC000013517805	560218318	/nfs/dbraw/zinc/21/83/18/560218318.db2.gz	XBGBVDAACAZVPJ-SHYZEUOFSA-N	-1	2	323.267	-0.700	1	0	in-vitro	DBAFLM
Nc1ccn([C@H]2C[C@H](O)[C@@H](CO[P@](=O)([O-])O)S2)c(=O)n1	ZINC000013517805	560218319	/nfs/dbraw/zinc/21/83/19/560218319.db2.gz	XBGBVDAACAZVPJ-SHYZEUOFSA-N	-1	2	323.267	-0.700	1	0	in-vitro	DBAFLM