smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N@@H+]1CCCN(CC(=O)N2CCN(C(=O)c3ccc[nH]3)CC2)CC1	ZINC000218143172	378437060	/nfs/dbraw/zinc/43/70/60/378437060.db2.gz	QQYRERLUDORYFF-UHFFFAOYSA-N	1	0	333.436	-0.063	50	70		EBIARO
COCc1noc(CN2CC[N@@H+](C3CCOCC3)C[C@@H](O)C2)n1	ZINC000217753622	536828786	/nfs/dbraw/zinc/82/87/86/536828786.db2.gz	FGONMDXEROIWMG-ZDUSSCGKSA-N	1	0	326.397	-0.127	50	70		EBIARO
Cc1nn(CCO)cc1CN1CC[N@@H+](C2CCOCC2)C[C@@H](O)C1	ZINC000217905393	241283172	/nfs/dbraw/zinc/28/31/72/241283172.db2.gz	VEGNNQIKCDWKQJ-KRWDZBQOSA-N	1	0	338.452	-0.159	50	70		EBIARO
CN(CC(=O)N1CC[N@H+](CCO)C[C@@H](O)C1)Cc1ccccc1F	ZINC000217969274	241288488	/nfs/dbraw/zinc/28/84/88/241288488.db2.gz	RWFMMZGXKZGRRR-OAHLLOKOSA-N	1	0	339.411	-0.245	50	70		EBIARO
CC(=O)N1CCC([N@@H+]2CCN(CCc3cn[nH]c3)C[C@@H](O)C2)CC1	ZINC000217505177	241255209	/nfs/dbraw/zinc/25/52/09/241255209.db2.gz	UMBRLGIOMVJIPO-QGZVFWFLSA-N	1	0	335.452	-0.058	50	70		EBIARO
C[C@H](O)c1cc2n(n1)CCC[N@H+](CCc1c[nH]c(=O)n(C)c1=O)C2	ZINC000217798450	241275105	/nfs/dbraw/zinc/27/51/05/241275105.db2.gz	VISXEUIHCKFITD-NSHDSACASA-N	1	0	333.392	-0.228	50	70		EBIARO
C[NH+](C)CCO[C@@H]1COCC[C@H]1NC(=O)CCC1=NNC(=O)CC1	ZINC000218284799	241310596	/nfs/dbraw/zinc/31/05/96/241310596.db2.gz	XIVUCZJBALTFRH-ZIAGYGMSSA-N	1	0	340.424	-0.116	50	70		EBIARO
CN1CCC([NH+]2CCC(NC(=O)c3cn(C)c(=O)[nH]c3=O)CC2)CC1	ZINC000217408302	536340454	/nfs/dbraw/zinc/34/04/54/536340454.db2.gz	FSNWHEKXMRSRJI-UHFFFAOYSA-N	1	0	349.435	-0.638	50	70		EBIARO
Cc1onc(C(=O)N[C@@H]2CCOC[C@H]2OCC[NH+](C)C)c1CO	ZINC000218308040	241313957	/nfs/dbraw/zinc/31/39/57/241313957.db2.gz	HOGZBTMFFWDKEN-CHWSQXEVSA-N	1	0	327.381	-0.059	50	70		EBIARO
OCCNc1cc(N2CC[N@H+](CCc3cn[nH]c3)C[C@@H](O)C2)ncn1	ZINC000217201084	241241009	/nfs/dbraw/zinc/24/10/09/241241009.db2.gz	USFVMDMZUZWNKA-CQSZACIVSA-N	1	0	347.423	-0.671	50	70		EBIARO
C[N@H+](CCN1CCN2C(=O)C(=O)NC[C@@H]2C1)Cc1ccc(F)cc1	ZINC000160277132	529909164	/nfs/dbraw/zinc/90/91/64/529909164.db2.gz	YCGJNDVGQMVWLJ-OAHLLOKOSA-N	1	0	334.395	-0.100	50	70		EBIARO
CCc1nc(S(=O)(=O)N[C@@H]2COCC[C@@H]2OCC[NH+](C)C)c[nH]1	ZINC000218202263	241305424	/nfs/dbraw/zinc/30/54/24/241305424.db2.gz	HZCKMHDHZNFVTJ-NEPJUHHUSA-N	1	0	346.453	-0.014	50	70		EBIARO
Cc1cc(N2CCN(c3cncc(C(N)=O)n3)C[C@@H](O)C2)cc[nH+]1	ZINC000217746976	241271994	/nfs/dbraw/zinc/27/19/94/241271994.db2.gz	NCWFUTBJLLTLHH-ZDUSSCGKSA-N	1	0	328.376	-0.034	50	70		EBIARO
C[C@@H](O)c1cc2n(n1)CCC[N@H+](CCc1c[nH]c(=O)n(C)c1=O)C2	ZINC000217798394	241274946	/nfs/dbraw/zinc/27/49/46/241274946.db2.gz	VISXEUIHCKFITD-LLVKDONJSA-N	1	0	333.392	-0.228	50	70		EBIARO
C[NH+](C)CCNc1c(=O)c(=O)c1N1CCN(c2ncccn2)CC1	ZINC000218225926	241308188	/nfs/dbraw/zinc/30/81/88/241308188.db2.gz	TZQWNFDCLYJKSC-UHFFFAOYSA-N	1	0	330.392	-0.627	50	70		EBIARO
Cc1noc(CN2CCN(c3nc(N)[nH+]c4c3CCC4)C[C@@H](O)C2)n1	ZINC000217145589	241237417	/nfs/dbraw/zinc/23/74/17/241237417.db2.gz	CYPKDHHBTHSQDS-NSHDSACASA-N	1	0	345.407	-0.078	50	70		EBIARO
CN(CC(=O)N1CCc2c(c(C(N)=O)nn2C)C1)C1CC[NH+](C)CC1	ZINC000218736784	241341925	/nfs/dbraw/zinc/34/19/25/241341925.db2.gz	LQKNYFHYWTUOLV-UHFFFAOYSA-N	1	0	348.451	-0.570	50	70		EBIARO