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+]1CCCN(CC#N)CC[N@@H+](C)CCCN(CC#N)CC1	ZINC000068605149	415394795	/nfs/dbraw/zinc/39/47/95/415394795.db2.gz	KWZJZJQXXGLGHF-UHFFFAOYSA-N	2	1	306.458	0.295	40	30		DCEBMP
CN1CCC[N@@H+](CCS)CCN(C)CCC[NH+](C)CC1	ZINC000068606332	396060990	/nfs/dbraw/zinc/06/09/90/396060990.db2.gz	WCRRLVZPUCNTQT-UHFFFAOYSA-N	2	1	302.532	0.807	40	30		DCEBMP
CN1CCC[N@H+](C)CCN(C)CCC[NH+](CCS)CC1	ZINC000068606332	396060992	/nfs/dbraw/zinc/06/09/92/396060992.db2.gz	WCRRLVZPUCNTQT-UHFFFAOYSA-N	2	1	302.532	0.807	40	30		DCEBMP
CN1CCC[N@@H+](C)CCN(C)CCC[NH+](CCS)CC1	ZINC000068606332	396060993	/nfs/dbraw/zinc/06/09/93/396060993.db2.gz	WCRRLVZPUCNTQT-UHFFFAOYSA-N	2	1	302.532	0.807	40	30		DCEBMP
CN1CCC[N@H+](C)CCN(CCS)CCC[NH+](C)CC1	ZINC000068606332	396060994	/nfs/dbraw/zinc/06/09/94/396060994.db2.gz	WCRRLVZPUCNTQT-UHFFFAOYSA-N	2	1	302.532	0.807	40	30		DCEBMP
CN1CCC[N@@H+](C)CCN(CCS)CCC[NH+](C)CC1	ZINC000068606332	396060996	/nfs/dbraw/zinc/06/09/96/396060996.db2.gz	WCRRLVZPUCNTQT-UHFFFAOYSA-N	2	1	302.532	0.807	40	30		DCEBMP
CN1CCC[NH+](C)CCN(CCS)CCC[N@H+](C)CC1	ZINC000068606332	396060997	/nfs/dbraw/zinc/06/09/97/396060997.db2.gz	WCRRLVZPUCNTQT-UHFFFAOYSA-N	2	1	302.532	0.807	40	30		DCEBMP
CN1CCC[NH+](C)CCN(CCS)CCC[N@@H+](C)CC1	ZINC000068606332	396060998	/nfs/dbraw/zinc/06/09/98/396060998.db2.gz	WCRRLVZPUCNTQT-UHFFFAOYSA-N	2	1	302.532	0.807	40	30		DCEBMP
C=CCN1CC[N@@H+](C)C2(CCN(CC[NH+]3CCCC3)CC2)C1=O	ZINC000096230074	415574816	/nfs/dbraw/zinc/57/48/16/415574816.db2.gz	CMQQKOXGLARHQN-UHFFFAOYSA-N	2	1	320.481	0.877	40	30		DCEBMP
C=CCN1CC[N@H+](C)C2(CCN(CC[NH+]3CCCC3)CC2)C1=O	ZINC000096230074	415574825	/nfs/dbraw/zinc/57/48/25/415574825.db2.gz	CMQQKOXGLARHQN-UHFFFAOYSA-N	2	1	320.481	0.877	40	30		DCEBMP
C#CCN(C)C[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2CNC(=O)NC(C)C	ZINC000020503937	415155951	/nfs/dbraw/zinc/15/59/51/415155951.db2.gz	CPBQVTFLENIRBR-HRCADAONSA-N	2	1	306.454	0.969	40	30	biogenic,in-vitro	DCEBMP