smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)c1ccc(C[N@H+]2CC[C@@H]3[C@H]2C(=O)NC[C@H](CCC(=O)N2CCC(O)CC2)N3C)cc1	ZINC000035442571	560079833	/nfs/dbraw/zinc/07/98/33/560079833.db2.gz	MYJIRPJJRPOXRE-FJIJXJHWSA-N	1	1	457.619	0.889	10	10	biogenic	JCCEMO
CN(C)c1ccc(C[N@@H+]2CC[C@@H]3[C@H]2C(=O)NC[C@H](CCC(=O)N2CCC(O)CC2)N3C)cc1	ZINC000035442571	560079832	/nfs/dbraw/zinc/07/98/32/560079832.db2.gz	MYJIRPJJRPOXRE-FJIJXJHWSA-N	1	1	457.619	0.889	10	10	biogenic	JCCEMO
CN(C)c1ccc(CN2CC[C@@H]3[C@H]2C(=O)NC[C@H](CCC(=O)N2CCC(O)CC2)[N@H+]3C)cc1	ZINC000035442571	560079830	/nfs/dbraw/zinc/07/98/30/560079830.db2.gz	MYJIRPJJRPOXRE-FJIJXJHWSA-N	1	1	457.619	0.889	10	10	biogenic	JCCEMO
CC(=O)[C@]1([NH3+])Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@@H](O)[C@H](O)CO2)C1)C(=O)c1ccccc1C3=O	ZINC000035636346	569705730	/nfs/dbraw/zinc/70/57/30/569705730.db2.gz	VJZITPJGSQKZMX-JKTZVLKLSA-N	1	1	483.473	0.632	10	10	in-vitro	JCCEMO