smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[O-]c1c(O)cc2c(c1Br)CC[NH2+]C[C@@H]2c1ccc(Br)cc1	ZINC000021983460	526334153	/nfs/dbraw/zinc/33/41/53/526334153.db2.gz	DUBJDOZBQUEQJJ-CYBMUJFWSA-N	0	3	413.109	3.900	10	10		HHCEHN
COc1ccc([O-])c(C[N@@H+]2CC[C@H]3[C@H](CCC(=O)N3CCc3ccccc3F)C2)c1	ZINC000011910076	558296613	/nfs/dbraw/zinc/29/66/13/558296613.db2.gz	ZMCKTPWQEABINW-GCJKJVERSA-N	0	3	412.505	3.596	10	10		HHCEHN
COc1ccc([O-])c(C[N@H+]2CC[C@H]3[C@H](CCC(=O)N3CCc3ccccc3F)C2)c1	ZINC000011910076	558296615	/nfs/dbraw/zinc/29/66/15/558296615.db2.gz	ZMCKTPWQEABINW-GCJKJVERSA-N	0	3	412.505	3.596	10	10		HHCEHN
[O-]c1c(O)cc2c(c1Br)CC[NH2+]C[C@H]2c1ccc(Br)cc1	ZINC000021983462	526335354	/nfs/dbraw/zinc/33/53/54/526335354.db2.gz	DUBJDOZBQUEQJJ-ZDUSSCGKSA-N	0	3	413.109	3.900	10	10		HHCEHN
CCN1CCN(CCCNC(=O)c2ccc(-n3c(C)cc4c3CCCCC4)cc2)CC1	ZINC000020927757	568651625	/nfs/dbraw/zinc/65/16/25/568651625.db2.gz	NNQZHJRSQXXUKJ-UHFFFAOYSA-N	0	3	422.617	3.812	10	10		HHCEHN