smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[C@H](C)[C@H](OCc1ccccc1)[C@@H]1[C@@H](C(=O)NCC(=O)[O-])[NH2+][C@@H](c2ccccc2)[C@H]1[N+](=O)[O-]	ZINC000038430341	563134458	/nfs/dbraw/zinc/13/44/58/563134458.db2.gz	OHIWWPFGSIMSGH-FRLKXMCISA-N	0	2	469.538	2.793	1	5		JFBFLN
CC[C@H](C)[C@H](OCc1ccccc1)[C@H]1C([N+](=O)[O-])[C@H](c2ccccc2)[NH2+][C@@H]1C(=O)NCC(=O)[O-]	ZINC000038430341	563134459	/nfs/dbraw/zinc/13/44/59/563134459.db2.gz	OHIWWPFGSIMSGH-FRLKXMCISA-N	0	2	469.538	2.793	1	5		JFBFLN
Cc1c2c(cc3c1ccnc3C(=O)NCC[NH+](C)C)c1cc(O[P@@](=O)([O-])O)ccc1n2C	ZINC000026267914	563025037	/nfs/dbraw/zinc/02/50/37/563025037.db2.gz	JCOOHLXXVRSGJS-UHFFFAOYSA-N	0	2	456.439	2.951	1	5		JFBFLN
Cc1c2c(cc3c1ccnc3C(=O)NCC[NH+](C)C)c1cc(O[P@](=O)([O-])O)ccc1n2C	ZINC000026267914	563025038	/nfs/dbraw/zinc/02/50/38/563025038.db2.gz	JCOOHLXXVRSGJS-UHFFFAOYSA-N	0	2	456.439	2.951	1	5		JFBFLN
CS(=O)(=O)Nn1c(Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])nc2sc3c(c2c1=O)CCCC3	ZINC000035030626	563118353	/nfs/dbraw/zinc/11/83/53/563118353.db2.gz	RYTBHXUMBBTRET-UHFFFAOYSA-N	0	2	497.536	2.808	1	5		JFBFLN
O=C([O-])c1cn(C2CC2)c2cc(N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c([N+](=O)[O-])cc2c1=O	ZINC000040395439	563139186	/nfs/dbraw/zinc/13/91/86/563139186.db2.gz	RALMGMLFWXPFKV-UHFFFAOYSA-N	0	2	492.488	2.994	1	5		JFBFLN