smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#Cc1ccc(Cn2cc[nH+]c2)cc1Oc1ccc(Cl)cc1Cl	ZINC000028255003	202167665	/nfs/dbraw/zinc/16/76/65/202167665.db2.gz	CKUAWXYQQWMTHM-UHFFFAOYSA-N	1	2	344.201	4.902	1	30		EJEFLO
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC=C2n1cc[nH+]c1	ZINC000003923790	210094315	/nfs/dbraw/zinc/09/43/15/210094315.db2.gz	JBDFGDJIQMKOLL-PAPPXSOASA-N	1	2	336.479	4.866	1	30		EJEFLO
CCC(=NNc1cc[nH+]c2cc(Cl)ccc12)c1ccc(O)cc1	ZINC000073010429	203254071	/nfs/dbraw/zinc/25/40/71/203254071.db2.gz	WOZNDRYNJWTXRL-PGMHBOJBSA-N	1	2	325.799	4.820	1	30		EJEFLO
O=C1/C(=C/c2ccccc2Cl)C[NH2+]C/C1=C\c1ccccc1Cl	ZINC000039326812	213235114	/nfs/dbraw/zinc/23/51/14/213235114.db2.gz	RVBVBUPGVORCBH-KAVGSWPWSA-N	1	2	344.241	4.633	1	30		EJEFLO
CNC1=[NH+]c2ccccc2C(c2ccccc2)=N[C@H]1c1cccs1	ZINC000040380699	213294584	/nfs/dbraw/zinc/29/45/84/213294584.db2.gz	GQHZMYBJBYMECB-IBGZPJMESA-N	1	2	331.444	4.781	1	30		EJEFLO
N#Cc1ccc(Cn2cc[nH+]c2)cc1Oc1cccc2ccccc21	ZINC000028255568	202168183	/nfs/dbraw/zinc/16/81/83/202168183.db2.gz	IGOHNTALVXPTDL-UHFFFAOYSA-N	1	2	325.371	4.749	1	30		EJEFLO
CCC(=NNc1cc[nH+]c2cc(Cl)ccc12)c1ccc(O)cc1	ZINC000020929254	212189512	/nfs/dbraw/zinc/18/95/12/212189512.db2.gz	WOZNDRYNJWTXRL-LTGZKZEYSA-N	1	2	325.799	4.820	1	30		EJEFLO
CNC1=[NH+]c2ccccc2C(c2ccccc2)=N[C@@H]1c1cccs1	ZINC000040380698	213294777	/nfs/dbraw/zinc/29/47/77/213294777.db2.gz	GQHZMYBJBYMECB-LJQANCHMSA-N	1	2	331.444	4.781	1	30		EJEFLO
N#Cc1ccc(Cn2cc[nH+]c2)cc1Oc1ccc2ccccc2c1	ZINC000000023676	581101058	/nfs/dbraw/zinc/10/10/58/581101058.db2.gz	BECWPNYJZIVGFM-UHFFFAOYSA-N	1	2	325.371	4.749	1	30		EJEFLO