smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
OCCN1CCOCCOCCOCCN(CCO)CCOCCOCCOCC1	ZINC000005119008	556636869	/nfs/dbraw/zinc/63/68/69/556636869.db2.gz	JAKGTZGTDDDHSH-UHFFFAOYSA-N	0	3	438.562	-1.312	50	0		IAAAHN
CN(C)CCNC(=O)C(=O)NC[C@H]1OCCN1S(=O)(=O)c1ccc2c(c1)OCCO2	ZINC000009600341	562973927	/nfs/dbraw/zinc/97/39/27/562973927.db2.gz	QDVJRTOXHHCLPF-MRXNPFEDSA-N	0	3	442.494	-1.401	50	0		IAAAHN
COc1ccc(S(=O)(=O)N2CCO[C@@H]2CNC(=O)C(=O)NCCN(C)C)cc1OC	ZINC000009600392	568884142	/nfs/dbraw/zinc/88/41/42/568884142.db2.gz	CGPUFUINMRDPBE-MRXNPFEDSA-N	0	3	444.510	-1.155	50	0		IAAAHN
COc1ccc(S(=O)(=O)N2CCO[C@H]2CNC(=O)C(=O)NCCN(C)C)cc1OC	ZINC000009600393	569551463	/nfs/dbraw/zinc/55/14/63/569551463.db2.gz	CGPUFUINMRDPBE-INIZCTEOSA-N	0	3	444.510	-1.155	50	0		IAAAHN
CN(C)CCNC(=O)C(=O)NC[C@@H]1OCCN1S(=O)(=O)c1ccc2c(c1)OCCO2	ZINC000012080626	521774246	/nfs/dbraw/zinc/77/42/46/521774246.db2.gz	QDVJRTOXHHCLPF-INIZCTEOSA-N	0	3	442.494	-1.401	50	0		IAAAHN
O=C(Cn1cn[n+]([N-][N+](=O)[O-])c1)Nc1ccc(NC(=O)Cn2c[n+](N=[N+]([O-])[O-])cn2)cc1	ZINC000012374581	527393711	/nfs/dbraw/zinc/39/37/11/527393711.db2.gz	CQWBPPMEJUNXNK-UHFFFAOYSA-P	0	3	448.360	-2.598	50	0		IAAAHN
CCOC(=O)C(O)(C(=O)OCC)C1COC[C@@H](C(O)(C(=O)OCC)C(=O)OCC)C1=O	ZINC000025663201	568842558	/nfs/dbraw/zinc/84/25/58/568842558.db2.gz	KPZRBVZMWPKVEN-VXGBXAGGSA-N	0	3	448.421	-1.467	50	0		IAAAHN
CCOC(=O)C(O)(C(=O)OCC)C1COC[C@H](C(O)(C(=O)OCC)C(=O)OCC)C1=O	ZINC000025663212	568842540	/nfs/dbraw/zinc/84/25/40/568842540.db2.gz	KPZRBVZMWPKVEN-RYUDHWBXSA-N	0	3	448.421	-1.467	50	0		IAAAHN