smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+](C)CCC[NH2+]CCC[NH2+]CCC[NH2+]CCCNC(=O)/C=N/O	ZINC000095115848	218281682	/nfs/dbraw/zinc/28/16/82/218281682.db2.gz	UVDCRWFVQABVND-RCCKNPSSSA-N	4	2	344.504	-0.547	50	30		EBEALP
C=CCC[C@@H](O)C[NH+]1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1	ZINC000129036717	376405633	/nfs/dbraw/zinc/40/56/33/376405633.db2.gz	LFGBIBHZJPTMOP-OAHLLOKOSA-N	2	2	346.497	-0.577	50	30		EBEALP
CC(=NNC1=[NH+]CCN1)c1cccc(C(C)=NNC2=[NH+]CCN2)n1	ZINC000220973999	262539035	/nfs/dbraw/zinc/53/90/35/262539035.db2.gz	DWEQJZFTSWJJPT-OIEABDAFSA-N	2	2	327.396	-0.373	50	30		EBEALP
C=CCC[C@H](O)C[NH+]1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1	ZINC000129036952	376405872	/nfs/dbraw/zinc/40/58/72/376405872.db2.gz	LFGBIBHZJPTMOP-HNNXBMFYSA-N	2	2	346.497	-0.577	50	30		EBEALP
CNC(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)=[NH+]C	ZINC000070003849	379991852	/nfs/dbraw/zinc/99/18/52/379991852.db2.gz	XJSYBTOGOLPWOS-UHFFFAOYSA-N	2	2	340.453	-0.672	50	30		EBEALP
C[N@@H+]1CCc2c(C#N)c(N3CC[NH+](CCO)CC3)n3cnnc3c2C1	ZINC000013693128	419002503	/nfs/dbraw/zinc/00/25/03/419002503.db2.gz	JGSYGUFKPPHIJG-UHFFFAOYSA-N	2	2	341.419	-0.297	50	30		EBEALP
C[N@H+]1CCc2c(C#N)c(N3CC[NH+](CCO)CC3)n3cnnc3c2C1	ZINC000013693128	419002506	/nfs/dbraw/zinc/00/25/06/419002506.db2.gz	JGSYGUFKPPHIJG-UHFFFAOYSA-N	2	2	341.419	-0.297	50	30		EBEALP
Cn1cc[nH+]c1CN1CC[NH+](CCC(=O)N(CC#N)CC#N)CC1	ZINC000072267717	376023664	/nfs/dbraw/zinc/02/36/64/376023664.db2.gz	OZGMMSRADDQOMJ-UHFFFAOYSA-N	2	2	329.408	-0.196	50	30		EBEALP