smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)[C@H](CC(C)C)N[P@](=O)([O-])OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1N=[N+]=[N-]	ZINC000026385530	563027026	/nfs/dbraw/zinc/02/70/26/563027026.db2.gz	IYGDCEZOPFZNDU-IGQOVBAYSA-N	-1	0	474.411	1.106	1	10		JDCFRM
O=C([O-])[C@@H](CCCNC(=O)/C=C/c1ccc(O)c(O)c1)NC(=O)/C=C\c1ccc(O)c(O)c1	ZINC000027196641	563041209	/nfs/dbraw/zinc/04/12/09/563041209.db2.gz	QHSQKDHZROXJOW-FMMIYSFLSA-N	-1	0	456.451	1.701	1	10		JDCFRM
Cc1cn([C@@H]2C[C@H](N=[N+]=[N-])[C@H](CO[P@@](=O)([O-])OCCSC(=O)C(C)C)O2)c(=O)[nH]c1=O	ZINC000040712277	563147551	/nfs/dbraw/zinc/14/75/51/563147551.db2.gz	GWJKKIKHWUDLNH-AVGNSLFASA-N	-1	0	477.436	1.861	1	10		JDCFRM
COC(=O)[C@H](CC(C)C)N[P@](=O)([O-])OC[C@H]1O[C@H](n2cc(C)c(=O)[nH]c2=O)C[C@H]1N=[N+]=[N-]	ZINC000026376964	563026223	/nfs/dbraw/zinc/02/62/23/563026223.db2.gz	IYGDCEZOPFZNDU-RQJABVFESA-N	-1	0	474.411	1.106	1	10		JDCFRM
COC(=O)[C@H](CC(C)C)N[P@](=O)([O-])OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@H]1N=[N+]=[N-]	ZINC000026376960	563026236	/nfs/dbraw/zinc/02/62/36/563026236.db2.gz	IYGDCEZOPFZNDU-XJFOESAGSA-N	-1	0	474.411	1.106	1	10		JDCFRM
O=C([O-])[C@H](CCCNC(=O)/C=C/c1ccc(O)c(O)c1)NC(=O)/C=C\c1ccc(O)c(O)c1	ZINC000027196647	563041244	/nfs/dbraw/zinc/04/12/44/563041244.db2.gz	QHSQKDHZROXJOW-GSJYKCNZSA-N	-1	0	456.451	1.701	1	10		JDCFRM
C[C@@]1(COC(=O)Cc2ccc(O)c(O)c2)S[C@@H]2/C(=C\c3ccccn3)C(=O)N2[C@H]1C(=O)[O-]	ZINC000028759747	563078059	/nfs/dbraw/zinc/07/80/59/563078059.db2.gz	RWEJYMXQWODRAL-MPSDLUJOSA-N	-1	0	456.476	1.789	1	10		JDCFRM
O=C([O-])[C@]1(O)C=C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1	ZINC000045365600	563192953	/nfs/dbraw/zinc/19/29/53/563192953.db2.gz	ZAINBJBIAPSOTI-PITZOIMMSA-N	-1	0	498.440	1.835	1	10		JDCFRM
COc1cc2cc(C(=O)[O-])cc(-c3ccc(O)c(O)c3)c2cc1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O	ZINC000095910013	560059276	/nfs/dbraw/zinc/05/92/76/560059276.db2.gz	WIFRALVUJRZNAA-LULVSJRFSA-N	-1	0	472.446	1.831	1	10	biogenic,in-vitro	JDCFRM