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)(C)[C@H]1CCc2c(cc(-c3ccccc3)n2-c2ccc(O)c(C(=O)[O-])c2)C1	ZINC000039194395	207563959	/nfs/dbraw/zinc/56/39/59/207563959.db2.gz	OZQKJEXMVUFKLB-SFHVURJKSA-N	-1	0	389.495	5.699	1	10		GKCFRM
Cc1ccc(-c2cc(Cl)ccc2OCC(C)C)n1-c1cccc(C(=O)[O-])c1	ZINC000040565813	207601831	/nfs/dbraw/zinc/60/18/31/207601831.db2.gz	SINRPSOCHGDPTE-UHFFFAOYSA-N	-1	0	383.875	5.839	1	10		GKCFRM
O=C([O-])[C@H]1[C@@H]2CC=C[C@@H]2c2cc(Oc3ccccc3)cc3c2N1C[C@@H]1CC=C[C@@H]31	ZINC000169295763	136196925	/nfs/dbraw/zinc/19/69/25/136196925.db2.gz	JFRAUHQWVZAEAI-AFSNRQRWSA-N	-1	0	385.463	5.085	1	10		GKCFRM
O=C([O-])[C@H]1[C@H]2CC=C[C@@H]2c2cc(Oc3ccccc3)cc3c2N1C[C@H]1CC=C[C@H]31	ZINC000005128601	204113712	/nfs/dbraw/zinc/11/37/12/204113712.db2.gz	JFRAUHQWVZAEAI-YASAHPQDSA-N	-1	0	385.463	5.085	1	10		GKCFRM
O=C([O-])c1cc2c3c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N3C[C@H]1CC=C[C@H]21	ZINC000004126729	204029531	/nfs/dbraw/zinc/02/95/31/204029531.db2.gz	AZRBPQNKAPCMOS-WPUDHWPRSA-N	-1	0	387.454	5.418	1	10		GKCFRM
O=C([O-])[C@H]1[C@@H]2CC=C[C@@H]2c2cc(Oc3ccccc3)cc3c2N1C[C@H]1CC=C[C@@H]31	ZINC000136619674	136192848	/nfs/dbraw/zinc/19/28/48/136192848.db2.gz	JFRAUHQWVZAEAI-VDLZSSOTSA-N	-1	0	385.463	5.085	1	10		GKCFRM
O=C([O-])[C@H]1[C@H]2CC=C[C@@H]2c2cc(Oc3ccccc3)cc3c2N1C[C@@H]1CC=C[C@@H]31	ZINC000169295765	136197040	/nfs/dbraw/zinc/19/70/40/136197040.db2.gz	JFRAUHQWVZAEAI-ZNNKIHTMSA-N	-1	0	385.463	5.085	1	10		GKCFRM
O=C([O-])c1cc(-c2cc3c(n2-c2ccccc2)CCc2ccccc2-3)ccc1O	ZINC000169320103	222534325	/nfs/dbraw/zinc/53/43/25/222534325.db2.gz	FFFVWLPGMSNZLU-UHFFFAOYSA-N	-1	0	381.431	5.314	1	10		GKCFRM
CC(C)=CCC/C(C)=C/Cc1c([O-])ccc2c(=O)c3ccc(O)c(O)c3oc21	ZINC000095913744	291144517	/nfs/dbraw/zinc/14/45/17/291144517.db2.gz	IZCZDNUWRCMXGX-VGOFMYFVSA-N	-1	0	380.440	5.298	1	10	biogenic,in-vitro	GKCFRM
O=C([O-])[C@H]1[C@H]2CC=C[C@@H]2c2cc(Oc3ccccc3)cc3c2N1C[C@H]1CC=C[C@@H]31	ZINC000136619746	136192855	/nfs/dbraw/zinc/19/28/55/136192855.db2.gz	JFRAUHQWVZAEAI-VGJVMQFFSA-N	-1	0	385.463	5.085	1	10		GKCFRM
O=C([O-])[C@@H]1[C@H]2CC=C[C@@H]2c2cc(Oc3ccccc3)cc3c2N1C[C@H]1CC=C[C@@H]31	ZINC000138840075	136193067	/nfs/dbraw/zinc/19/30/67/136193067.db2.gz	JFRAUHQWVZAEAI-RCGKAVQVSA-N	-1	0	385.463	5.085	1	10		GKCFRM
Cc1cc(=O)c2ccc([O-])c(CN(Cc3ccccc3)Cc3ccccc3)c2o1	ZINC000064503664	222072814	/nfs/dbraw/zinc/07/28/14/222072814.db2.gz	DFCZWSVERKMCIP-UHFFFAOYSA-N	-1	0	385.463	5.009	1	10		GKCFRM
Nc1c(C(=O)[O-])sc2nc(-c3ccccc3)cc(-c3ccc(Cl)cc3)c12	ZINC000001305941	212234844	/nfs/dbraw/zinc/23/48/44/212234844.db2.gz	QKJGNDRNIPRKMW-UHFFFAOYSA-N	-1	0	380.856	5.564	3	10		GKCFRM
O=C([O-])[C@@H]1[C@H]2CC=C[C@@H]2c2cc(Oc3ccccc3)cc3c2N1C[C@@H]1CC=C[C@@H]31	ZINC000169295764	136197045	/nfs/dbraw/zinc/19/70/45/136197045.db2.gz	JFRAUHQWVZAEAI-SABVNUKFSA-N	-1	0	385.463	5.085	1	10		GKCFRM
O=C([O-])c1cc2c3c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccc(F)cc1)N3C[C@H]1CC=C[C@H]21	ZINC000004126728	206502687	/nfs/dbraw/zinc/50/26/87/206502687.db2.gz	AZRBPQNKAPCMOS-DJIOSBNXSA-N	-1	0	387.454	5.418	1	10		GKCFRM