smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@H]1C[C@H](C)/C(=N/c2ccccc2)N(C)c2ccccc21	ZINC000005551579	170112252	/nfs/dbraw/zinc/11/22/52/170112252.db2.gz	BTJGSULXBGFQCA-QSGFHZNJSA-N	0	1	278.399	4.996	1	30		CJEFMN
Cc1ccsc1C=NN=c1cc(C)c2cc(C)ccc2[nH]1	ZINC000005553639	170112561	/nfs/dbraw/zinc/11/25/61/170112561.db2.gz	YAZYTYCQEMTVJD-VCHYOVAHSA-N	0	1	295.411	4.668	1	30		CJEFMN
Cc1ccc(C=NN=c2cc(C)c3cc(C)ccc3[nH]2)s1	ZINC000005553642	170112373	/nfs/dbraw/zinc/11/23/73/170112373.db2.gz	KDXMRFQQIWZUIY-VCHYOVAHSA-N	0	1	295.411	4.668	1	30		CJEFMN
COc1ccc(N=C(C)C2Sc3ccccc3C2=O)cc1	ZINC000020237247	171096557	/nfs/dbraw/zinc/09/65/57/171096557.db2.gz	JQNSVUIKOBFNPM-WOJGMQOQSA-N	0	1	297.379	4.756	1	30		CJEFMN
N#Cc1c2c3ccccc3[nH]c2c2[nH]c3ccccc3c2c1O	ZINC000038439921	174141784	/nfs/dbraw/zinc/14/17/84/174141784.db2.gz	NHCFCDOPDLTBAY-UHFFFAOYSA-N	0	1	297.317	4.533	1	30		CJEFMN
CCCCCCCN1CCc2c(c3cc(C)ccc3n2C)C1	ZINC000071340742	176130333	/nfs/dbraw/zinc/13/03/33/176130333.db2.gz	WOTHORAHOVRLDP-UHFFFAOYSA-N	0	1	298.474	4.815	1	30		CJEFMN
CC(C)(C)SC/C(=N\O)c1cc(Cl)sc1Cl	ZINC000095578013	185011316	/nfs/dbraw/zinc/01/13/16/185011316.db2.gz	XKPGRUXFBLQXJH-NTUHNPAUSA-N	0	1	298.260	4.765	1	30		CJEFMN
Cc1cc(O)c(C(=O)/C=C/c2ccccc2)c(C)c1Cl	ZINC000096924161	185130622	/nfs/dbraw/zinc/13/06/22/185130622.db2.gz	ZRMVRTYYOBBBIX-CMDGGOBGSA-N	0	1	286.758	4.559	1	30		CJEFMN