smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC1=Nc2c(c(=O)[n-]n2C2CCCCC2)[C@H](c2ccc(C(=O)[O-])cc2)S1	ZINC000071286487	571270018	/nfs/dbraw/zinc/27/00/18/571270018.db2.gz	UUEBKYPCBGCVRL-INIZCTEOSA-N	-2	3	371.462	4.678	50	0		FJAAHL
CC1(C)[C@@H]2CC[C@]3(C)Oc4cc([O-])c(C(=O)c5ccccc5)c([O-])c4[C@@H]1[C@H]23	ZINC000253388700	560039195	/nfs/dbraw/zinc/03/91/95/560039195.db2.gz	BQIVXBUAUNSLAJ-YECIBEDOSA-N	-2	3	364.441	4.630	50	0	biogenic,in-vitro	FJAAHL
CC1(C)[C@@H]2CC[C@]3(C)Oc4cc([O-])c(C(=O)c5ccccc5)c([O-])c4[C@@H]1[C@@H]23	ZINC000014928876	211103481	/nfs/dbraw/zinc/10/34/81/211103481.db2.gz	BQIVXBUAUNSLAJ-OEBNWMLRSA-N	-2	3	364.441	4.630	50	0	biogenic,in-vitro	FJAAHL
CCOP(=O)(CCCCCCCCCCP(=O)([O-])[O-])OCC	ZINC000096503533	222122959	/nfs/dbraw/zinc/12/29/59/222122959.db2.gz	QSNWJNNXAGWSQW-UHFFFAOYSA-N	-2	3	358.352	4.551	50	0		FJAAHL
O=C(Nc1ccc2[n-]c(=S)oc2c1)c1c[n-]nc1-c1ccc(Cl)cc1	ZINC000079111967	571327069	/nfs/dbraw/zinc/32/70/69/571327069.db2.gz	RCZKVRXZHFSLAG-UHFFFAOYSA-N	-2	3	370.821	4.786	50	0		FJAAHL
O=c1c(-c2cc3ccccc3o2)c(C(F)(F)F)oc2cc([O-])cc([O-])c12	ZINC000005528434	570667192	/nfs/dbraw/zinc/66/71/92/570667192.db2.gz	UWYAXNKBBVQCBL-UHFFFAOYSA-N	-2	3	362.259	4.636	50	0		FJAAHL
CC1(C)[C@@H]2CC[C@]3(C)Oc4cc([O-])c(C(=O)c5ccccc5)c([O-])c4[C@H]1[C@@H]23	ZINC000253388699	560039228	/nfs/dbraw/zinc/03/92/28/560039228.db2.gz	BQIVXBUAUNSLAJ-HFZRNFMZSA-N	-2	3	364.441	4.630	50	0	biogenic,in-vitro	FJAAHL
CCCCCCn1c2ccccc2c([O-])c(-c2nc3ccccc3[n-]2)c1=O	ZINC000013004446	220051573	/nfs/dbraw/zinc/05/15/73/220051573.db2.gz	XRVXEAQDXIHLMC-UHFFFAOYSA-N	-2	3	361.445	4.831	50	0		FJAAHL
CC1=Nc2c(c(=O)[n-]n2C2CCCCC2)[C@@H](c2ccc(C(=O)[O-])cc2)S1	ZINC000071286489	571063827	/nfs/dbraw/zinc/06/38/27/571063827.db2.gz	UUEBKYPCBGCVRL-MRXNPFEDSA-N	-2	3	371.462	4.678	50	0		FJAAHL
[O-]/N=c1\oc2cc([O-])ccc2cc1-c1nc(-c2ccc(Cl)cc2)cs1	ZINC000013896621	570795465	/nfs/dbraw/zinc/79/54/65/570795465.db2.gz	GWCCLPOONYADJZ-FXBPSFAMSA-N	-2	3	370.817	4.872	50	0		FJAAHL
[O-]c1c(Cl)cc(Cl)c([O-])c1Cc1c([O-])c(Cl)cc(Cl)c1O	ZINC000003843497	570567876	/nfs/dbraw/zinc/56/78/76/570567876.db2.gz	KIGFURIIQCGBCG-UHFFFAOYSA-N	-3	3	370.015	4.713	50	0		FJAAHL