smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccccc1Nc1cc(N2CC[NH+](C)CC2)nc(C)[nH+]1	ZINC000216849612	257232787	/nfs/dbraw/zinc/23/27/87/257232787.db2.gz	HIYBIZDQUORRQU-UHFFFAOYSA-N	2	2	313.405	2.289	40	70		DEIBLP
C[NH+]1CCC(CC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)CC1	ZINC000216901191	402290353	/nfs/dbraw/zinc/29/03/53/402290353.db2.gz	HSEUBNUSOFEXQQ-UHFFFAOYSA-N	2	2	312.417	2.220	40	70		DEIBLP
Cc1nc(N2CC[NH+](C)CC2)cc(Nc2cccc(F)c2)[nH+]1	ZINC000216848810	402289923	/nfs/dbraw/zinc/28/99/23/402289923.db2.gz	NERLAMJXLLIPGB-UHFFFAOYSA-N	2	2	301.369	2.420	40	70		DEIBLP
C[NH+]1CCC(CC(=O)NCc2ccccc2-n2cc[nH+]c2)CC1	ZINC000216901088	402289934	/nfs/dbraw/zinc/28/99/34/402289934.db2.gz	QBWAMSCYDZYKSP-UHFFFAOYSA-N	2	2	312.417	2.220	40	70		DEIBLP
COc1ccc(Nc2cc(N3CC[NH+](C)CC3)nc(C)[nH+]2)cc1	ZINC000216849690	402289913	/nfs/dbraw/zinc/28/99/13/402289913.db2.gz	WVZWSMXNRUBPHY-UHFFFAOYSA-N	2	2	313.405	2.289	40	70		DEIBLP
Cc1nc(N2CC[NH+](C)CC2)cc(Nc2ccc(F)cc2)[nH+]1	ZINC000216848853	402289975	/nfs/dbraw/zinc/28/99/75/402289975.db2.gz	KCNRBVABYZYXPZ-UHFFFAOYSA-N	2	2	301.369	2.420	40	70		DEIBLP
COc1cccc(Nc2cc(N3CC[NH+](C)CC3)nc(C)[nH+]2)c1	ZINC000216849647	402290005	/nfs/dbraw/zinc/29/00/05/402290005.db2.gz	ICTJSJJSYALRRP-UHFFFAOYSA-N	2	2	313.405	2.289	40	70		DEIBLP