smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+](C)CCNC(=O)CC[C@H]1C[N@H+](Cc2ccc(Cl)cc2)CC[C@H]1N1CCOCC1	ZINC000299780786	568757184	/nfs/dbraw/zinc/75/71/84/568757184.db2.gz	BGFDEHLJZISOPQ-RBBKRZOGSA-N	2	0	437.028	2.321	10	0		IEAERP
CC[N@H+](Cc1ccncc1)Cc1ccc(OC)c(OC[C@@H](O)CN2CCC[NH+](C)CC2)c1	ZINC000039500077	569481617	/nfs/dbraw/zinc/48/16/17/569481617.db2.gz	PCBXPYROGDMXCO-QHCPKHFHSA-N	2	0	442.604	2.490	10	0		IEAERP
COc1ccc(C[N@H+](C)Cc2ccc(F)cc2)cc1OC[C@H](O)CN1CC[NH+](C)CC1	ZINC000022919989	557047004	/nfs/dbraw/zinc/04/70/04/557047004.db2.gz	CFRSGMLFOVFGBR-JOCHJYFZSA-N	2	0	431.552	2.453	10	0		IEAERP
COc1cc(CN2CCCN(C=O)CC2)ccc1OC[C@@H](O)C[NH+]1CCCCCCC1	ZINC000012091623	557527684	/nfs/dbraw/zinc/52/76/84/557527684.db2.gz	BVOTYYWWAQDXFW-QFIPXVFZSA-N	2	0	433.593	2.365	10	0		IEAERP
COCC[NH+]1CCN(Cc2ccc(OC)cc2OC[C@@H](O)C[NH+]2CCCCCCC2)CC1	ZINC000020781411	523856387	/nfs/dbraw/zinc/85/63/87/523856387.db2.gz	KQFNPBFPLZMHCU-QHCPKHFHSA-N	2	0	449.636	2.465	10	0		IEAERP
CC[N@H+](Cc1ccncc1)Cc1ccc(OC)c(OC[C@H](O)CN2CCC[NH+](C)CC2)c1	ZINC000039500076	569481646	/nfs/dbraw/zinc/48/16/46/569481646.db2.gz	PCBXPYROGDMXCO-HSZRJFAPSA-N	2	0	442.604	2.490	10	0		IEAERP
COc1ccc(C[N@H+](C)Cc2ccc(F)cc2)cc1OC[C@@H](O)CN1CC[NH+](C)CC1	ZINC000022919981	557046898	/nfs/dbraw/zinc/04/68/98/557046898.db2.gz	CFRSGMLFOVFGBR-QFIPXVFZSA-N	2	0	431.552	2.453	10	0		IEAERP
COCC[NH+]1CCN(Cc2ccc(OC)cc2OC[C@H](O)C[NH+]2CCCCCCC2)CC1	ZINC000020781415	523855650	/nfs/dbraw/zinc/85/56/50/523855650.db2.gz	KQFNPBFPLZMHCU-HSZRJFAPSA-N	2	0	449.636	2.465	10	0		IEAERP