smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN1CCN(c2nc3ccccn3c(=O)c2C=C2C(=O)N(C)C(=O)N(C)C2=O)CC1	ZINC000002390127	536425374	/nfs/dbraw/zinc/42/53/74/536425374.db2.gz	XWVOCAJAUSIIBN-UHFFFAOYSA-N	0	0	410.434	-0.120	50	10		HBCARN
COc1ccc(N2CCN(S(=O)(=O)c3c(C)n(C)c(=O)n(C)c3=O)CC2)cc1	ZINC000004271553	568956962	/nfs/dbraw/zinc/95/69/62/568956962.db2.gz	ZRVKOEKSZTXODB-UHFFFAOYSA-N	0	0	408.480	-0.088	50	10		HBCARN
Cn1c(=O)c2nc3ccc(NC=C4C(=O)N(C)C(=O)N(C)C4=O)cc3nc2n(C)c1=O	ZINC000006974236	569061193	/nfs/dbraw/zinc/06/11/93/569061193.db2.gz	FSVYCVYICNMHTI-UHFFFAOYSA-N	0	0	423.389	-0.473	50	10	biogenic	HBCARN
NC(=O)CCN1C(=O)/C(=C2/SC(=S)N(CCC(N)=O)C2=O)SC1=S	ZINC000008765943	557806407	/nfs/dbraw/zinc/80/64/07/557806407.db2.gz	PCTYEUWJBNTICH-FPLPWBNLSA-N	0	0	404.520	-0.331	50	10		HBCARN
COc1ccc(N2CCN(CCNC(=O)C(=O)NCCN3CCOCC3)CC2)cc1	ZINC000011901069	536699410	/nfs/dbraw/zinc/69/94/10/536699410.db2.gz	JDUFGXTYYPHRCJ-UHFFFAOYSA-N	0	0	419.526	-0.618	50	10		HBCARN
COc1ccc(N2CCN(C(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)CC2)cc1	ZINC000013140120	569211493	/nfs/dbraw/zinc/21/14/93/569211493.db2.gz	WQPDWFHYMWOZLH-UHFFFAOYSA-N	0	0	412.450	-0.209	50	10		HBCARN
Cn1c2c([nH]c1=NNC=C1C(=O)NC(=S)N(C3CC3)C1=O)n(C)c(=O)n(C)c2=O	ZINC000017197013	558825555	/nfs/dbraw/zinc/82/55/55/558825555.db2.gz	ZXLTUFAYTPQWEV-VURMDHGXSA-N	0	0	418.439	-0.983	50	10		HBCARN
COc1ccc(OC)c(N2C(=O)[N-]C(=O)C(=CNCCN3CC[NH2+]CC3)C2=O)c1	ZINC000019360644	558876112	/nfs/dbraw/zinc/87/61/12/558876112.db2.gz	IOVLFRMMZOKRQP-WYMLVPIESA-N	0	0	403.439	-0.335	50	10		HBCARN
COc1ccc(OC)c(N2C(=O)C(=CNCCN3CC[NH2+]CC3)C(=O)[N-]C2=S)c1	ZINC000019362811	558876601	/nfs/dbraw/zinc/87/66/01/558876601.db2.gz	LNALEUPPICYLPS-WYMLVPIESA-N	0	0	419.507	-0.170	50	10		HBCARN
COc1ccc(N2CCN(c3nc4c(c(=O)[nH]c(=O)n4C)n3CCO)CC2)cc1	ZINC000034379585	560619686	/nfs/dbraw/zinc/61/96/86/560619686.db2.gz	SJQJNQVKKFWBQR-UHFFFAOYSA-N	0	0	400.439	-0.249	50	10		HBCARN