smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccccc2O)[C@H]1C	ZINC001489249850	1208689774	/nfs/dbraw/zinc/68/97/74/1208689774.db2.gz	UMLBAIZZBFUYOV-OCCSQVGLSA-N	-1	2	360.414	0.597	10	30		FCEELM
Cn1ccnc1C([O-])=C(C#N)C(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O	ZINC000770866518	1200499628	/nfs/dbraw/zinc/49/96/28/1200499628.db2.gz	RENAVUPAGVFPBU-LBPRGKRZSA-N	-1	2	371.397	0.909	10	30		FCEELM
CC(C)(CNC(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1)OCC1CC1	ZINC000599083102	492134184	/nfs/dbraw/zinc/13/41/84/492134184.db2.gz	OTLUEURYVGRRNK-UHFFFAOYSA-N	-1	2	361.402	0.592	10	30		FCEELM
C=C(C)Cn1c(-c2n[nH]c(Cl)n2)nnc1N1CCN(C)C(=O)[C@H]1C	ZINC001355977688	867913779	/nfs/dbraw/zinc/91/37/79/867913779.db2.gz	RZJQLSQMHXZULD-SECBINFHSA-N	-1	2	350.814	0.960	10	30		FCEELM
CC(C)(CO[P@@](=O)([O-])O)[C@H](O)C(=O)NCCC(=O)NCCS	ZINC000012495127	207383206	/nfs/dbraw/zinc/38/32/06/207383206.db2.gz	JDMUPRLRUUMCTL-SECBINFHSA-N	-1	2	358.353	0.716	10	30	endogenous,in-man	FCEELM
CC(C)(CO[P@](=O)([O-])O)[C@H](O)C(=O)NCCC(=O)NCCS	ZINC000012495127	207383210	/nfs/dbraw/zinc/38/32/10/207383210.db2.gz	JDMUPRLRUUMCTL-SECBINFHSA-N	-1	2	358.353	0.716	10	30	endogenous,in-man	FCEELM
C=C(C)Cn1c(-c2n[nH]c(Cl)n2)nnc1N1CCN(C)C(=O)[C@@H]1C	ZINC001355977695	867913593	/nfs/dbraw/zinc/91/35/93/867913593.db2.gz	RZJQLSQMHXZULD-VIFPVBQESA-N	-1	2	350.814	0.960	10	30		FCEELM
C=CCn1c(=O)c2ccc(C(=O)NCCc3nc(=O)o[n-]3)cc2[nH]c1=S	ZINC000790079947	1201051666	/nfs/dbraw/zinc/05/16/66/1201051666.db2.gz	QQFVCWWJLRVGBW-UHFFFAOYSA-N	-1	2	373.394	0.520	10	30		FCEELM
Cn1ccnc1C([O-])=C(C#N)C(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O	ZINC000770866509	1200499806	/nfs/dbraw/zinc/49/98/06/1200499806.db2.gz	RENAVUPAGVFPBU-GFCCVEGCSA-N	-1	2	371.397	0.909	10	30		FCEELM