smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCN(CCCC)c1ccc(/C(=[NH+]/[C@@H](C)CCC[NH+](CC)CC)c2ccc(N(C)C)cc2)cc1	ZINC000004522443	194391452	/nfs/dbraw/zinc/39/14/52/194391452.db2.gz	QDBUEZCSUNCLAT-PJGGMPLZSA-N	2	1	492.796	7.507	40	30		JKEBMP
CC(=O)c1c[nH+]c2c(c1NC1CCC(C[NH+](C)C)CC1)NC(=C1C=C(Cl)C(=O)C(Cl)=C1)C=C2	ZINC000205186723	569874026	/nfs/dbraw/zinc/87/40/26/569874026.db2.gz	WZJUACDPTWDYSI-UHFFFAOYSA-N	2	1	487.431	5.337	40	30	in-vitro	JKEBMP
CCCCCCCCCCC[N+]1(Cc2ccccc2)C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1	ZINC000073391212	569704551	/nfs/dbraw/zinc/70/45/51/569704551.db2.gz	OUXZRWYGZMPCJI-MCYVLLSASA-N	2	1	461.758	7.686	40	30		JKEBMP
CCCCN(CCCC)c1ccc(/C(=[NH+]\[C@@H](C)CCC[NH+](CC)CC)c2ccc(N(C)C)cc2)cc1	ZINC000104342391	569845146	/nfs/dbraw/zinc/84/51/46/569845146.db2.gz	QDBUEZCSUNCLAT-DYPMWWDKSA-N	2	1	492.796	7.507	40	30		JKEBMP
CCCCN(CCCC)c1ccc(/C(=[NH+]\[C@H](C)CCC[NH+](CC)CC)c2ccc(N(C)C)cc2)cc1	ZINC000008615077	520499052	/nfs/dbraw/zinc/49/90/52/520499052.db2.gz	QDBUEZCSUNCLAT-KEXYENJCSA-N	2	1	492.796	7.507	40	30		JKEBMP
CCCCCCCCCCC[N+]1(Cc2ccccc2)C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1	ZINC000073391214	569704519	/nfs/dbraw/zinc/70/45/19/569704519.db2.gz	OUXZRWYGZMPCJI-OLPGJYTKSA-N	2	1	461.758	7.686	40	30		JKEBMP
CCCCN(CCCC)c1ccc(/C(=[NH+]/[C@H](C)CCC[NH+](CC)CC)c2ccc(N(C)C)cc2)cc1	ZINC000016982949	556195219	/nfs/dbraw/zinc/19/52/19/556195219.db2.gz	QDBUEZCSUNCLAT-YCWUTDNLSA-N	2	1	492.796	7.507	40	30		JKEBMP
CCCCCCCCCCCCCCCCCC[N@H+](CCO)CCC[NH+](CCO)CCO	ZINC000056897652	563206294	/nfs/dbraw/zinc/20/62/94/563206294.db2.gz	KRZCNRGNPAESDC-UHFFFAOYSA-N	2	1	458.772	5.219	40	30	in-man	JKEBMP
CCCCCCCCCCCCCCCCCC[N@@H+](CCO)CCC[NH+](CCO)CCO	ZINC000056897652	563206295	/nfs/dbraw/zinc/20/62/95/563206295.db2.gz	KRZCNRGNPAESDC-UHFFFAOYSA-N	2	1	458.772	5.219	40	30	in-man	JKEBMP