smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)CCNC(=O)C(=O)NC[C@H]1OCCN1S(=O)(=O)c1ccccc1	ZINC000004328821	570573333	/nfs/dbraw/zinc/57/33/33/570573333.db2.gz	NSUVABIAWPJUNC-CQSZACIVSA-N	0	3	384.458	-1.172	50	0		GAAAHN
CN(C)CCNC(=O)C(=O)NC[C@@H]1OCCN1S(=O)(=O)c1ccccc1	ZINC000004328822	570573513	/nfs/dbraw/zinc/57/35/13/570573513.db2.gz	NSUVABIAWPJUNC-AWEZNQCLSA-N	0	3	384.458	-1.172	50	0		GAAAHN
Cn1c2[nH]c(N3CCN(C(=O)CN4CCCC4)CC3)nc2c(=O)n(C)c1=O	ZINC000004741471	570400835	/nfs/dbraw/zinc/40/08/35/570400835.db2.gz	VXOXBIXHIPNFPB-UHFFFAOYSA-N	0	3	375.433	-1.295	50	0		GAAAHN
NCC(=O)N1CCOCCOCCN(C(=O)CN)CCOCCOCC1	ZINC000004936615	204093852	/nfs/dbraw/zinc/09/38/52/204093852.db2.gz	JITVAMRWDROXRZ-UHFFFAOYSA-N	0	3	376.454	-2.359	50	0		GAAAHN
OCCN1CCOCCOCCOCCN(CCO)CCOCCOCC1	ZINC000004955672	570381824	/nfs/dbraw/zinc/38/18/24/570381824.db2.gz	CGSNOSZWDYWUAQ-UHFFFAOYSA-N	0	3	394.509	-1.328	50	0		GAAAHN
CN(C)CCNC(=O)C(=O)NC[C@H]1OCCN1S(=O)(=O)c1cccs1	ZINC000009600503	209286942	/nfs/dbraw/zinc/28/69/42/209286942.db2.gz	IMNFGLQRCMTIFP-LLVKDONJSA-N	0	3	390.487	-1.111	50	0		GAAAHN
CN(C)CCNC(=O)C(=O)NC[C@@H]1OCCN1S(=O)(=O)c1cccs1	ZINC000009600504	530176996	/nfs/dbraw/zinc/17/69/96/530176996.db2.gz	IMNFGLQRCMTIFP-NSHDSACASA-N	0	3	390.487	-1.111	50	0		GAAAHN
[NH3+]CCCCCCNc1nc2c(nc[n-]c2=O)n1[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O	ZINC000013424993	570754187	/nfs/dbraw/zinc/75/41/87/570754187.db2.gz	LLZUUOCTFORBDZ-ADGXKJENSA-N	0	3	382.421	-1.338	50	0		GAAAHN
CN1CCN(CCCN(CCC(=O)N2CCNCC2)S(C)(=O)=O)CC1	ZINC000045945039	205100250	/nfs/dbraw/zinc/10/02/50/205100250.db2.gz	QRJMVEJNPTUJHR-UHFFFAOYSA-N	0	3	375.539	-1.293	50	0		GAAAHN
CN(C)CCN1C[C@H](C(=O)N2CCN(S(=O)(=O)N(C)C)CC2)CC1=O	ZINC000065489128	530075153	/nfs/dbraw/zinc/07/51/53/530075153.db2.gz	WYGBNPVAGLSVGR-CYBMUJFWSA-N	0	3	375.495	-1.653	50	0		GAAAHN
CN(C)CCN1C[C@@H](C(=O)N2CCN(S(=O)(=O)N(C)C)CC2)CC1=O	ZINC000065489132	222132015	/nfs/dbraw/zinc/13/20/15/222132015.db2.gz	WYGBNPVAGLSVGR-ZDUSSCGKSA-N	0	3	375.495	-1.653	50	0		GAAAHN
CN(C)CCN1CC2(CCN(C(=O)Cc3c[nH]c(=O)[nH]c3=O)CC2)OC1=O	ZINC000077427839	211132962	/nfs/dbraw/zinc/13/29/62/211132962.db2.gz	IVPRRWJVHDPXRP-UHFFFAOYSA-N	0	3	379.417	-1.019	50	0		GAAAHN
Cn1nnnc1SCCNC(=O)[C@H]1CNC[C@H](C(=O)N2CCOCC2)C1	ZINC000092045470	211214479	/nfs/dbraw/zinc/21/44/79/211214479.db2.gz	QZLSJCCLRMRWSH-VXGBXAGGSA-N	0	3	383.478	-1.497	50	0		GAAAHN
CN1CCN([C@H]2CCN(C(=O)Cc3c[nH]c(=O)[nH]c3=O)C[C@H]2CCCO)CC1	ZINC000095503189	571077178	/nfs/dbraw/zinc/07/71/78/571077178.db2.gz	UFZPWEAFWRNCCE-ZBFHGGJFSA-N	0	3	393.488	-1.157	50	0		GAAAHN
CCOC(=O)N1CCN(C(=O)Cn2ncc(N3CCNCC3)cc2=O)CC1	ZINC000095518580	136181050	/nfs/dbraw/zinc/18/10/50/136181050.db2.gz	IIGDMUGBPLNDLG-UHFFFAOYSA-N	0	3	378.433	-1.046	50	0		GAAAHN
Cn1nnnc1SCCNC(=O)[C@H]1CNC[C@@H](C(=O)N2CCOCC2)C1	ZINC000096167208	208283568	/nfs/dbraw/zinc/28/35/68/208283568.db2.gz	QZLSJCCLRMRWSH-NEPJUHHUSA-N	0	3	383.478	-1.497	50	0		GAAAHN
[NH3+]CCCCCCNc1nc2c(nc[n-]c2=O)n1[C@@H]1O[C@H](CO)[C@H](O)[C@@H]1O	ZINC000103133647	570876720	/nfs/dbraw/zinc/87/67/20/570876720.db2.gz	LLZUUOCTFORBDZ-CKRXIKOQSA-N	0	3	382.421	-1.338	50	0		GAAAHN
[NH3+]CCCCCCNc1nc2c(nc[n-]c2=O)n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	ZINC000200727210	570728675	/nfs/dbraw/zinc/72/86/75/570728675.db2.gz	LLZUUOCTFORBDZ-SDBHATRESA-N	0	3	382.421	-1.338	50	0		GAAAHN