smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc2c(c1)C(N=NC(=N)N)C(=O)N2	ZINC000101490937	175201551	/nfs/dbraw/zinc/20/15/51/175201551.db2.gz	AQGNCVVRLICTLW-CCEZHUSRSA-N	0	3	233.231	1.859	1	10		BDCFHN
CC(C)[NH2+]C[C@H](O)c1ccc(O)c([O-])c1F	ZINC000027746324	167115536	/nfs/dbraw/zinc/11/55/36/167115536.db2.gz	KEYFTYUBFSDBRW-VIFPVBQESA-N	0	3	229.251	1.268	1	10		BDCFHN
CC(C)[NH2+]C[C@@H](O)c1cc([O-])c(O)c(F)c1	ZINC000027733416	167111619	/nfs/dbraw/zinc/11/16/19/167111619.db2.gz	VFGKJSAOMSVJOX-SNVBAGLBSA-N	0	3	229.251	1.268	1	10		BDCFHN
CC(C)[NH2+]C[C@H](O)c1cc(O)c([O-])cc1F	ZINC000027734193	167115631	/nfs/dbraw/zinc/11/56/31/167115631.db2.gz	PRSQDAMLQJFCCA-NSHDSACASA-N	0	3	229.251	1.268	1	10		BDCFHN
CC(C)[NH2+]C[C@H](O)c1cc([O-])c(O)c(F)c1	ZINC000027733423	167114733	/nfs/dbraw/zinc/11/47/33/167114733.db2.gz	VFGKJSAOMSVJOX-JTQLQIEISA-N	0	3	229.251	1.268	1	10		BDCFHN
CC(C)[NH2+]C[C@@H](O)c1cc(O)c([O-])cc1F	ZINC000027734187	167111805	/nfs/dbraw/zinc/11/18/05/167111805.db2.gz	PRSQDAMLQJFCCA-LLVKDONJSA-N	0	3	229.251	1.268	1	10		BDCFHN
O=c1cccc2n1C[C@H]1CCCN3CCC=C2[C@@H]13	ZINC000014711704	560224682	/nfs/dbraw/zinc/22/46/82/560224682.db2.gz	POPJONPBVXYYED-IAQYHMDHSA-N	0	3	242.322	1.730	1	10	biogenic,in-vitro	BDCFHN
O=c1cccc2n1C[C@@H]1CCCN3CCC=C2[C@H]13	ZINC000033830589	560088753	/nfs/dbraw/zinc/08/87/53/560088753.db2.gz	POPJONPBVXYYED-NHYWBVRUSA-N	0	3	242.322	1.730	1	10	biogenic,in-vitro	BDCFHN
CN(C)Cc1ccc2c(c1)NC(=O)[C@H]1CCCN21	ZINC000042966738	172501728	/nfs/dbraw/zinc/50/17/28/172501728.db2.gz	GACYULOPBWQXQH-CYBMUJFWSA-N	0	3	245.326	1.669	1	10		BDCFHN
CC(C)[NH2+]C[C@@H](O)c1ccc(O)c([O-])c1F	ZINC000027746316	167110400	/nfs/dbraw/zinc/11/04/00/167110400.db2.gz	KEYFTYUBFSDBRW-SECBINFHSA-N	0	3	229.251	1.268	1	10		BDCFHN
CN(C)Cc1ccc2c(c1)NC(=O)[C@@H]1CCCN21	ZINC000042966740	581099425	/nfs/dbraw/zinc/09/94/25/581099425.db2.gz	GACYULOPBWQXQH-ZDUSSCGKSA-N	0	3	245.326	1.669	1	10		BDCFHN