smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC1([NH2+]CC(=O)N2C[C@H](F)C[C@@H]2C#N)CCN(S(C)(=O)=O)CC1	ZINC000038494058	202141647	/nfs/dbraw/zinc/14/16/47/202141647.db2.gz	ZPUILNOHDOBYOB-VXGBXAGGSA-N	1	0	346.428	-0.147	1	30		EBEFRO
Cc1cc(S(=O)(=O)N[C@H](CCOCC[NH3+])C(=O)NO)ccc1F	ZINC000028568921	202172287	/nfs/dbraw/zinc/17/22/87/202172287.db2.gz	LTOKHCUDEZFUSL-GFCCVEGCSA-N	1	0	349.384	-0.348	1	30		EBEFRO
COC(=O)[C@@H](CCCNC(N)=[NH2+])NS(=O)(=O)c1ccc(F)cc1	ZINC000027892381	202161285	/nfs/dbraw/zinc/16/12/85/202161285.db2.gz	CAXGXRODELNANE-LLVKDONJSA-N	1	0	346.384	-0.301	1	30		EBEFRO
N#C[C@@H]1C[C@H](F)CN1C(=O)C[NH2+][C@@H]1[C@H]2CN(c3ncccn3)C[C@H]21	ZINC000101180777	204002169	/nfs/dbraw/zinc/00/21/69/204002169.db2.gz	NXGCDTBNUXWSGM-XOBFJNJYSA-N	1	0	330.367	-0.037	1	30		EBEFRO
NC(=[NH2+])NCCC[C@@H]([NH3+])C(=O)NC(Cc1ccc(O)cc1)C(=O)[O-]	ZINC000100385990	574417381	/nfs/dbraw/zinc/41/73/81/574417381.db2.gz	NFHUKOWBBBACBN-LLVKDONJSA-N	1	0	337.380	-0.283	1	30	endogenous,in-vitro	EBEFRO
NC(=O)c1ccc[n+](CC(=O)Nc2ccc(S(N)(=O)=O)cc2)c1	ZINC000023746323	212393776	/nfs/dbraw/zinc/39/37/76/212393776.db2.gz	HLMKPQKWUTYXFW-UHFFFAOYSA-O	1	0	335.365	-0.641	1	30		EBEFRO
NC(N)=NC(=O)c1nc(Cl)c(NCC[n+]2ccccc2)nc1N	ZINC000073140662	216354438	/nfs/dbraw/zinc/35/44/38/216354438.db2.gz	ACNQZSAKEDNWER-UHFFFAOYSA-O	1	0	335.779	-0.475	1	30		EBEFRO
NC(=[NH2+])NCCCC(NC(=O)[C@H]([NH3+])Cc1ccc(O)cc1)C(=O)[O-]	ZINC000069488270	574416285	/nfs/dbraw/zinc/41/62/85/574416285.db2.gz	GVNVWPDYXYVPCL-LLVKDONJSA-N	1	0	337.380	-0.283	1	30	endogenous,in-vitro	EBEFRO
CC[NH+](CC)CCNc1nc(N)c(C(=O)N=C(N)N)nc1Cl	ZINC000073137988	216353382	/nfs/dbraw/zinc/35/33/82/216353382.db2.gz	WOTSBQZRQGIRID-UHFFFAOYSA-N	1	0	328.808	-0.121	1	30		EBEFRO
N=C(N)NS(=O)(=O)c1ccc(NC(=O)C[n+]2ccccc2)cc1	ZINC000103174809	219265523	/nfs/dbraw/zinc/26/55/23/219265523.db2.gz	DBAXWOKXCGXANC-UHFFFAOYSA-O	1	0	334.381	-0.215	1	30		EBEFRO
NC(=[NH2+])NCCCC(NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C(=O)[O-]	ZINC000069488272	574416273	/nfs/dbraw/zinc/41/62/73/574416273.db2.gz	GVNVWPDYXYVPCL-NSHDSACASA-N	1	0	337.380	-0.283	1	30	endogenous,in-vitro	EBEFRO
NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)NC(Cc1ccc(O)cc1)C(=O)[O-]	ZINC000100385993	574417401	/nfs/dbraw/zinc/41/74/01/574417401.db2.gz	NFHUKOWBBBACBN-NSHDSACASA-N	1	0	337.380	-0.283	1	30	endogenous,in-vitro	EBEFRO
Cc1nc2c(ncnc2N)n1[C@@H]1O[C@H](C[S+](C)C)[C@@H](O)[C@H]1O	ZINC000040403402	213298951	/nfs/dbraw/zinc/29/89/51/213298951.db2.gz	WJNJBGFFPLUZIE-QYVSTXNMSA-N	1	0	326.402	-0.786	1	30		EBEFRO