smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1NC(=O)C(=Cc2ccc(O)cc2O)C(=O)N1	ZINC000005455961	348873987	/nfs/dbraw/zinc/87/39/87/348873987.db2.gz	XGRANFKYXNDTDO-UHFFFAOYSA-N	0	1	248.194	-0.153	40	10		BBCBMN
Nc1ccccc1NC=C1C(=O)NC(=O)NC1=O	ZINC000006045439	342773118	/nfs/dbraw/zinc/77/31/18/342773118.db2.gz	UZWDYERSXPFDLN-UHFFFAOYSA-N	0	1	246.226	-0.069	40	10		BBCBMN
O=c1[nH]o[n-]c1=N[N+](=O)c1no[nH]c1=O	ZINC000008854787	370379700	/nfs/dbraw/zinc/37/97/00/370379700.db2.gz	MWTXDEDGDISMQE-YHYXMXQVSA-N	0	1	214.097	-0.211	40	10		BBCBMN
O=C1NC(=O)C(=Cc2cccnc2)C(=O)N1	ZINC000015886682	347138442	/nfs/dbraw/zinc/13/84/42/347138442.db2.gz	SQEAVQAOXZQSMM-UHFFFAOYSA-N	0	1	217.184	-0.169	40	10		BBCBMN
COc1ccc(N2CCN[C@H](C(N)=O)C2)cc1	ZINC000072350886	536705410	/nfs/dbraw/zinc/70/54/10/536705410.db2.gz	GERYEPBSXHMKQF-NSHDSACASA-N	0	1	235.287	-0.041	40	10		BBCBMN
COc1ccc(N2CCN[C@@H](C(N)=O)C2)cc1	ZINC000072350887	536705449	/nfs/dbraw/zinc/70/54/49/536705449.db2.gz	GERYEPBSXHMKQF-LLVKDONJSA-N	0	1	235.287	-0.041	40	10		BBCBMN
CC(=S)NC=C1C(=O)NC(=O)NC1=O	ZINC000104305393	384821637	/nfs/dbraw/zinc/82/16/37/384821637.db2.gz	JMVCVYXJSVXKTI-UHFFFAOYSA-N	0	1	213.218	-0.827	40	10		BBCBMN
CC(=O)C(=O)[C@@H](C(C)=O)[C@@](O)(C(C)=O)[C@@H](C)O	ZINC000390822620	519359379	/nfs/dbraw/zinc/35/93/79/519359379.db2.gz	FAAKQTVXCRYDOX-ZOFUNIGCSA-N	0	1	244.243	-0.949	40	10		BBCBMN
CCN(/C=C1\C(=O)NC(=O)N(C)C1=O)CC	ZINC000408526179	535651311	/nfs/dbraw/zinc/65/13/11/535651311.db2.gz	AURJBCCEOJBHSF-VOTSOKGWSA-N	0	1	225.248	-0.080	40	10		BBCBMN
CNC=C1C(=O)NC(=O)N(Cc2ccco2)C1=O	ZINC000408547098	536305562	/nfs/dbraw/zinc/30/55/62/536305562.db2.gz	VVTOBZPCCXARML-YVMONPNESA-N	0	1	249.226	-0.039	40	10		BBCBMN