smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCN(CC)c1ccc(C=[NH+]Nc2ccnc3cc(Cl)ccc32)cc1	ZINC000004869449	207057848	/nfs/dbraw/zinc/05/78/48/207057848.db2.gz	AGWBCQKBQMHKBQ-OEAKJJBVSA-N	1	2	352.869	5.180	10	30		FKEELO
CC[C@]1(C)C[C@](CC/[NH+]=C/c2ccccc2O)(c2ccc(F)cc2)CCO1	ZINC000005719070	570633774	/nfs/dbraw/zinc/63/37/74/570633774.db2.gz	TYKGSDXLJOYBRK-NHNPKLJZSA-N	1	2	369.480	5.257	10	30		FKEELO
CC[C@@]1(C)C[C@](CC/[NH+]=C/c2ccccc2O)(c2ccc(F)cc2)CCO1	ZINC000005719179	207113170	/nfs/dbraw/zinc/11/31/70/207113170.db2.gz	TYKGSDXLJOYBRK-UHSPTLNFSA-N	1	2	369.480	5.257	10	30		FKEELO
CCN(Cc1ccccc1)c1ccc(C=[NH+][N-]c2[nH]c3ccccc3[nH+]2)cc1	ZINC000033459675	521373165	/nfs/dbraw/zinc/37/31/65/521373165.db2.gz	OJSZBYVUABWAJS-JLPGSUDCSA-N	1	2	369.472	5.035	10	30		FKEELO
CCN(Cc1ccccc1)c1ccc(C=[NH+]Nc2nc3ccccc3[nH]2)cc1	ZINC000033459675	521373155	/nfs/dbraw/zinc/37/31/55/521373155.db2.gz	OJSZBYVUABWAJS-JLPGSUDCSA-N	1	2	369.472	5.035	10	30		FKEELO
C=C(C)C(=O)NCCCCCc1[nH+]c2ccccc2n1CCCCCC	ZINC000040219737	210044408	/nfs/dbraw/zinc/04/44/08/210044408.db2.gz	XJWYDCBZTWSQMN-UHFFFAOYSA-N	1	2	355.526	5.022	10	30		FKEELO
C=CCc1ccc(OCCCn2c3ccccc3[nH+]c2C2CC2)c(OC)c1	ZINC000040231634	210044991	/nfs/dbraw/zinc/04/49/91/210044991.db2.gz	FEFZOHODARSEQV-UHFFFAOYSA-N	1	2	362.473	5.120	10	30		FKEELO
CC(=NNc1cc[nH+]c2cc(Cl)ccc12)c1cccc(C(F)(F)F)c1	ZINC000059347553	221124933	/nfs/dbraw/zinc/12/49/33/221124933.db2.gz	VJBATVBQGPKNGV-MYKKPKGFSA-N	1	2	363.770	5.743	10	30		FKEELO
CC(=NNc1cc[nH+]c2cc(Cl)ccc12)c1ccccc1OC(F)F	ZINC000059347574	221125266	/nfs/dbraw/zinc/12/52/66/221125266.db2.gz	BZRXDWARMLTJJP-KSEXSDGBSA-N	1	2	361.779	5.326	10	30		FKEELO
N#Cc1ccc([C@@]2(CC3CCCCC3)c3ccccc3-c3[nH+]ccn32)cc1	ZINC000072109202	208798839	/nfs/dbraw/zinc/79/88/39/208798839.db2.gz	BQCJQWPPYIXPJN-DEOSSOPVSA-N	1	2	353.469	5.497	10	30		FKEELO
CCCCCCCCn1c(CCCCCNC(C)=O)[nH+]c2ccccc21	ZINC000102162716	209233794	/nfs/dbraw/zinc/23/37/94/209233794.db2.gz	XBDDYDPDSZWWKO-UHFFFAOYSA-N	1	2	357.542	5.246	10	30		FKEELO
CCCCCCCn1c(CCCCCNC(=O)CC)[nH+]c2ccccc21	ZINC000102163034	209233713	/nfs/dbraw/zinc/23/37/13/209233713.db2.gz	DDXXGWHWEDCZHV-UHFFFAOYSA-N	1	2	357.542	5.246	10	30		FKEELO
CCCCCCCCn1c(CCCCCNC(=O)CC)[nH+]c2ccccc21	ZINC000102163039	222290848	/nfs/dbraw/zinc/29/08/48/222290848.db2.gz	RUKQJKFCORTMEN-UHFFFAOYSA-N	1	2	371.569	5.636	10	30		FKEELO
CCCCCCCn1c(CCCCCNC(=O)CCC)[nH+]c2ccccc21	ZINC000102163300	222290680	/nfs/dbraw/zinc/29/06/80/222290680.db2.gz	GIIGOADTVJQDME-UHFFFAOYSA-N	1	2	371.569	5.636	10	30		FKEELO
CCCCCCCn1c(CCCCCNC(=O)C(C)C)[nH+]c2ccccc21	ZINC000102164273	209233067	/nfs/dbraw/zinc/23/30/67/209233067.db2.gz	INVKAYLACGZHJM-UHFFFAOYSA-N	1	2	371.569	5.492	10	30		FKEELO
C=CC(=O)NCCCCCc1[nH+]c2ccccc2n1CCCCCCCC	ZINC000102173345	222291112	/nfs/dbraw/zinc/29/11/12/222291112.db2.gz	ULFFMHSJTRVURE-UHFFFAOYSA-N	1	2	369.553	5.412	10	30		FKEELO
CC[C@]1(C)C[C@@](CC/[NH+]=C/c2ccccc2O)(c2ccc(F)cc2)CCO1	ZINC000103617178	222339786	/nfs/dbraw/zinc/33/97/86/222339786.db2.gz	TYKGSDXLJOYBRK-WKYWJJLXSA-N	1	2	369.480	5.257	10	30		FKEELO
CC[C@@]1(C)C[C@@](CC/[NH+]=C/c2ccccc2O)(c2ccc(F)cc2)CCO1	ZINC000103617181	209254967	/nfs/dbraw/zinc/25/49/67/209254967.db2.gz	TYKGSDXLJOYBRK-LSQILKJHSA-N	1	2	369.480	5.257	10	30		FKEELO