smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)[N+]1(C(C)C)CC[N+](C(C)C)(C(C)C)[C@@H]2CCCC[C@H]21	ZINC000005963301	181301769	/nfs/dbraw/zinc/30/17/69/181301769.db2.gz	DODWBXHHQLYXAS-WOJBJXKFSA-N	2	0	310.570	4.578	40	5		DJBBRP
CC[NH+](CC)CCCCNc1cc[nH+]c2cc3ccccc3cc12	ZINC000019142557	182106168	/nfs/dbraw/zinc/10/61/68/182106168.db2.gz	FKRQQYCXQGWVLN-UHFFFAOYSA-N	2	0	321.468	4.922	40	5		DJBBRP
C[N+](C)(CCCCC[N+](C)(C)C1CCCCC1)C1CCCCC1	ZINC000003149254	563942434	/nfs/dbraw/zinc/94/24/34/563942434.db2.gz	HKEYJKSPOGOCQH-UHFFFAOYSA-N	2	0	324.597	4.975	40	5		DJBBRP
C[N+]1(CCCCCC[N+]2(C)CCCCCC2)CCCCCC1	ZINC000004747928	181147641	/nfs/dbraw/zinc/14/76/41/181147641.db2.gz	FOTLSGVOPUYTHV-UHFFFAOYSA-N	2	0	310.570	4.588	40	5		DJBBRP
C[N+]1(CCCC[N+]2(C)CCCCCCC2)CCCCCCC1	ZINC000003953927	181058617	/nfs/dbraw/zinc/05/86/17/181058617.db2.gz	MWWXYVRLUBXHBW-UHFFFAOYSA-N	2	0	310.570	4.588	40	5	in-vitro	DJBBRP
CCC[N+]1(Cc2ccccc2)c2ccccc2C2=C1CC[N@@H+](C)C2	ZINC000020112938	182188510	/nfs/dbraw/zinc/18/85/10/182188510.db2.gz	WUIPOABWRCWMQU-UHFFFAOYSA-N	2	0	319.472	4.664	40	5		DJBBRP
CC(C)[N+]1(C(C)C)CC[N+](C(C)C)(C(C)C)[C@H]2CCCC[C@@H]21	ZINC000001681120	563290954	/nfs/dbraw/zinc/29/09/54/563290954.db2.gz	DODWBXHHQLYXAS-PMACEKPBSA-N	2	0	310.570	4.578	40	5		DJBBRP
C[N+]1(CCCCC[N+]2(C)CCCCCCC2)CCCCCCC1	ZINC000004747959	181147638	/nfs/dbraw/zinc/14/76/38/181147638.db2.gz	BQMSVFORPDOJOZ-UHFFFAOYSA-N	2	0	324.597	4.978	40	5		DJBBRP
CC(C)[N+]1(Cc2ccccc2)c2ccccc2C2=C1CC[N@@H+](C)C2	ZINC000020112800	182188441	/nfs/dbraw/zinc/18/84/41/182188441.db2.gz	YQHXJMWEQOYPRY-UHFFFAOYSA-N	2	0	319.472	4.663	40	5		DJBBRP