smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COCC[NH+]1CCC(C[N@@H+](Cc2ccncc2)Cc2cccc(OC)c2O)CC1	ZINC000012448650	570667763	/nfs/dbraw/zinc/66/77/63/570667763.db2.gz	VLGPTEOKMXUTLP-UHFFFAOYSA-N	2	1	399.535	3.156	10	10		GGCEMP
Cc1cc(Br)c(O)c(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1	ZINC000530248516	567587738	/nfs/dbraw/zinc/58/77/38/567587738.db2.gz	LRGUWRBHDCVQLA-MRXNPFEDSA-N	2	1	383.330	3.054	10	10		GGCEMP
COCC[NH+]1CCC(C[N@@H+](Cc2ccncc2)Cc2cc(OC)ccc2O)CC1	ZINC000012304014	221178534	/nfs/dbraw/zinc/17/85/34/221178534.db2.gz	ATTOJMUKYUUQCS-UHFFFAOYSA-N	2	1	399.535	3.156	10	10		GGCEMP
COc1cc(Br)cc(C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)c1O	ZINC000121761487	564385807	/nfs/dbraw/zinc/38/58/07/564385807.db2.gz	GULHDYKLDUFOLX-UHFFFAOYSA-N	2	1	394.313	3.352	10	10		GGCEMP
CCN(CC)c1ccc(C[N@@H+]2CC[C@@H]([NH+](C)C)[C@@H](CCC(=O)OC)C2)cc1	ZINC000012166836	570619521	/nfs/dbraw/zinc/61/95/21/570619521.db2.gz	SWPVVFGWSAMUEV-PZJWPPBQSA-N	2	1	375.557	3.238	10	10		GGCEMP
CCN(CC)c1ccc(C[N@H+]2CC[C@@H]([NH+](C)C)[C@@H](CCC(=O)OC)C2)cc1	ZINC000012166836	570619525	/nfs/dbraw/zinc/61/95/25/570619525.db2.gz	SWPVVFGWSAMUEV-PZJWPPBQSA-N	2	1	375.557	3.238	10	10		GGCEMP
COc1cc(Br)cc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c1O	ZINC000180122204	566033935	/nfs/dbraw/zinc/03/39/35/566033935.db2.gz	VOQSMPVAKWAXHM-HNNXBMFYSA-N	2	1	380.286	3.333	10	10		GGCEMP
COc1cc(Br)cc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c1O	ZINC000180122204	566033938	/nfs/dbraw/zinc/03/39/38/566033938.db2.gz	VOQSMPVAKWAXHM-HNNXBMFYSA-N	2	1	380.286	3.333	10	10		GGCEMP
COc1cc(Br)cc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c1O	ZINC000180122222	566034133	/nfs/dbraw/zinc/03/41/33/566034133.db2.gz	VOQSMPVAKWAXHM-OAHLLOKOSA-N	2	1	380.286	3.333	10	10		GGCEMP
COc1cc(Br)cc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c1O	ZINC000180122222	566034137	/nfs/dbraw/zinc/03/41/37/566034137.db2.gz	VOQSMPVAKWAXHM-OAHLLOKOSA-N	2	1	380.286	3.333	10	10		GGCEMP
Cc1cc(Br)c(O)c(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1	ZINC000530248514	567587964	/nfs/dbraw/zinc/58/79/64/567587964.db2.gz	LRGUWRBHDCVQLA-INIZCTEOSA-N	2	1	383.330	3.054	10	10		GGCEMP