smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[N@@H+]1CCC[C@H]1CNC(=O)CN1C(=O)c2ccccc2N2C(=O)c3c(ccc(OC)c3OC)[C@@H]21	ZINC000218084868	569882728	/nfs/dbraw/zinc/88/27/28/569882728.db2.gz	BVKXZOKRJLPNKP-UPCLLVRISA-N	1	0	478.549	2.419	50	70	biogenic	JEIARO
CCOC(=O)CN1c2ccccc2[C@@]2([NH2+][C@H](CCSC)[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]32)C1=O	ZINC000217597475	569880434	/nfs/dbraw/zinc/88/04/34/569880434.db2.gz	WLSNEQRAVQHCFH-KGPRRQHISA-N	1	0	493.585	2.322	50	70		JEIARO
CC[N@@H+]1CCC[C@@H]1CNC(=O)CN1C(=O)c2ccccc2N2C(=O)c3c(ccc(OC)c3OC)[C@@H]21	ZINC000218084778	569882690	/nfs/dbraw/zinc/88/26/90/569882690.db2.gz	BVKXZOKRJLPNKP-VOIUYBSRSA-N	1	0	478.549	2.419	50	70	biogenic	JEIARO
CCOC(=O)CN1c2ccccc2[C@@]2([NH2+][C@H](C)[C@@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@@H]32)C1=O	ZINC000217598804	569880414	/nfs/dbraw/zinc/88/04/14/569880414.db2.gz	GAAPDSWHBIEVAT-CFYSLPTISA-N	1	0	467.909	2.243	50	70		JEIARO
COc1ccc(CN2C(=O)N[C@@H](CCC(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)C2=O)cc1OC	ZINC000217698782	569881100	/nfs/dbraw/zinc/88/11/00/569881100.db2.gz	OZFVKUCEEDTWGL-SLFFLAALSA-N	1	0	472.586	2.285	50	70	biogenic	JEIARO
O=C(C[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O)NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12	ZINC000217840840	569881853	/nfs/dbraw/zinc/88/18/53/569881853.db2.gz	PZDJQUNSZMDEKQ-YUXAGFNASA-N	1	0	451.571	2.402	50	70	biogenic	JEIARO
COc1ccc(CCN2C(=O)N[C@@H](CCC(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)C2=O)cc1OC	ZINC000217732972	569881236	/nfs/dbraw/zinc/88/12/36/569881236.db2.gz	SZJRKITVRBMKNW-PCCBWWKXSA-N	1	0	486.613	2.328	50	70	biogenic	JEIARO