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)Cc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)[C@H]3O)s1	ZINC000216907891	376168075	/nfs/dbraw/zinc/16/80/75/376168075.db2.gz	OWLDXYFFSYOASU-VIKVFOODSA-N	0	1	279.449	3.149	50	70		CGIAMN
C[C@H](C(=O)c1c[nH]c2ccccc12)N1CCC[C@@H](C)C1	ZINC000217448132	376174815	/nfs/dbraw/zinc/17/48/15/376174815.db2.gz	IDYBAJHUOOKQIE-CHWSQXEVSA-N	0	1	270.376	3.471	50	70		CGIAMN
Cc1n[nH]c(C(C)C)c1C(=O)NCc1ccc(C)cc1C	ZINC000159778939	372179855	/nfs/dbraw/zinc/17/98/55/372179855.db2.gz	KUMVKXLCNDVHKT-UHFFFAOYSA-N	0	1	285.391	3.388	50	70		CGIAMN
CC(C)Cc1nc2ccc(NC(=O)c3cccnc3)cc2[nH]1	ZINC000218508767	542286871	/nfs/dbraw/zinc/28/68/71/542286871.db2.gz	VQLMIZMDWMDSNS-UHFFFAOYSA-N	0	1	294.358	3.409	50	70		CGIAMN
CCCCc1ccc(C[N@H+]2CCN(C)[C@@H](C)C2)s1	ZINC000217963958	392996212	/nfs/dbraw/zinc/99/62/12/392996212.db2.gz	PNUSLUNKRALEHO-ZDUSSCGKSA-N	0	1	266.454	3.227	50	70		CGIAMN
COc1ccc(-n2cccn2)c(CN(C)Cc2ccco2)c1	ZINC000218005528	392996100	/nfs/dbraw/zinc/99/61/00/392996100.db2.gz	NWODBTKINRKKRZ-UHFFFAOYSA-N	0	1	297.358	3.106	50	70		CGIAMN
CSc1ccc(CN(C)Cc2cn(C)nc2C)cc1	ZINC000160906429	372287380	/nfs/dbraw/zinc/28/73/80/372287380.db2.gz	FNNPUQGYGOTEDL-UHFFFAOYSA-N	0	1	275.421	3.082	50	70		CGIAMN