smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCNC(=O)N=S(=O)([O-])c1cccc(C(=O)[O-])c1	ZINC000040116164	183037405	/nfs/dbraw/zinc/03/74/05/183037405.db2.gz	URMRWLNCMNEWCD-UHFFFAOYSA-N	-2	1	300.336	1.377	50	30		DDEAML
CCCCNC([O-])=NS(=O)(=O)c1cccc(C(=O)[O-])c1	ZINC000040116164	183037407	/nfs/dbraw/zinc/03/74/07/183037407.db2.gz	URMRWLNCMNEWCD-UHFFFAOYSA-N	-2	1	300.336	1.377	50	30		DDEAML
COc1cc(C=NNc2nc(C)cc(=O)[n-]2)cc([N+](=O)[O-])c1[O-]	ZINC000032654957	521997192	/nfs/dbraw/zinc/99/71/92/521997192.db2.gz	JBHSXGPAMOENTD-MKMNVTDBSA-N	-2	1	319.277	1.147	50	30		DDEAML
O=P([O-])([O-])[C@H](O)C(F)(F)C(F)(F)C(F)(F)C(F)F	ZINC000008673147	406793649	/nfs/dbraw/zinc/79/36/49/406793649.db2.gz	VCDTZELUHOABQI-REOHCLBHSA-N	-2	1	312.049	1.654	50	30		DDEAML
Cc1cc([O-])c(C(=O)C=Cc2ccc(C(=O)[O-])cc2)c(=O)o1	ZINC000033631243	406963161	/nfs/dbraw/zinc/96/31/61/406963161.db2.gz	GHTYXFQIWORRGH-HJHHMULASA-N	-2	1	300.266	1.613	50	30		DDEAML
Cc1cc([O-])c(C(=O)C=Cc2ccc(C(=O)[O-])cc2)c(=O)o1	ZINC000033631244	406962968	/nfs/dbraw/zinc/96/29/68/406962968.db2.gz	GHTYXFQIWORRGH-ZBKLQPJUSA-N	-2	1	300.266	1.613	50	30		DDEAML
O=C([O-])Cc1sc(NN=Cc2ccc(Cl)cc2)nc1[O-]	ZINC000006975125	406745092	/nfs/dbraw/zinc/74/50/92/406745092.db2.gz	QXQDXPYEAMYLBE-RGEMTFFCSA-N	-2	1	311.750	1.736	50	30		DDEAML
C=CCn1cc(-c2nc3nc(=O)[n-]c([O-])c3[nH]2)c2ccccc21	ZINC000006510999	257265711	/nfs/dbraw/zinc/26/57/11/257265711.db2.gz	LOIZZUQVKTVWSR-GFCCVEGCSA-N	-2	1	307.313	1.194	50	30		DDEAML
C=CCn1cc(-c2nc3nc(=O)[n-]c([O-])c3[nH]2)c2ccccc21	ZINC000006511003	257265946	/nfs/dbraw/zinc/26/59/46/257265946.db2.gz	LOIZZUQVKTVWSR-LBPRGKRZSA-N	-2	1	307.313	1.194	50	30		DDEAML
CCCc1cc(=O)[n-]c(NN=Cc2ccc(C(=O)[O-])cc2)n1	ZINC000003947094	181058752	/nfs/dbraw/zinc/05/87/52/181058752.db2.gz	QRJRHHJPRGGCRS-CXUHLZMHSA-N	-2	1	300.318	1.867	50	30		DDEAML
O=C([O-])Cc1sc(NN=C2CCCc3ccccc32)nc1[O-]	ZINC000100889254	418493296	/nfs/dbraw/zinc/49/32/96/418493296.db2.gz	TZKUZSJGLPOSLB-ZSAINHDTSA-N	-2	1	317.370	1.789	50	30		DDEAML
CCOc1cc(C=Nn2cn[n-]c2=S)cc([N+](=O)[O-])c1[O-]	ZINC000034738829	520643839	/nfs/dbraw/zinc/64/38/39/520643839.db2.gz	BSUAXDFXXYNWAN-WLRTZDKTSA-N	-2	1	309.307	1.835	50	30		DDEAML
CCCc1cc(=O)[n-]c(NN=Cc2ccc([O-])c([N+](=O)[O-])c2)n1	ZINC000032511878	521344227	/nfs/dbraw/zinc/34/42/27/521344227.db2.gz	NRQSNVLLHSXYHS-OVCLIPMQSA-N	-2	1	317.305	1.782	50	30		DDEAML
COc1cc([N+](=O)[O-])cc(C=NNc2nc(C)cc(=O)[n-]2)c1[O-]	ZINC000032511724	295027467	/nfs/dbraw/zinc/02/74/67/295027467.db2.gz	URNSOTGUHGZHQU-MKMNVTDBSA-N	-2	1	319.277	1.147	50	30		DDEAML
O=P([O-])([O-])[C@@H](O)C(F)(F)C(F)(F)C(F)(F)C(F)F	ZINC000008016328	406774023	/nfs/dbraw/zinc/77/40/23/406774023.db2.gz	VCDTZELUHOABQI-UWTATZPHSA-N	-2	1	312.049	1.654	50	30		DDEAML
C=CCNC(=S)N=NCc1cc(OC)c(O)c([N+](=O)[O-])c1	ZINC000004136293	406721983	/nfs/dbraw/zinc/72/19/83/406721983.db2.gz	JEQYMISIIJUMRE-UHFFFAOYSA-N	-2	1	310.335	1.704	50	30		DDEAML
O=S(=O)([O-])CC/N=C/c1cccc(Br)c1[O-]	ZINC000020813586	182247671	/nfs/dbraw/zinc/24/76/71/182247671.db2.gz	SZDWLBMWPBWOTP-IZZDOVSWSA-N	-2	1	308.153	1.461	50	30		DDEAML
Cc1cc([O-])c(C(=O)C=Cc2ccc(C(=O)[O-])cc2)c(=O)o1	ZINC000028605408	406918240	/nfs/dbraw/zinc/91/82/40/406918240.db2.gz	GHTYXFQIWORRGH-BTKRWWFXSA-N	-2	1	300.266	1.613	50	30		DDEAML
O=C([O-])Cc1sc(NN=C2CCCc3ccccc32)nc1[O-]	ZINC000100889253	418493398	/nfs/dbraw/zinc/49/33/98/418493398.db2.gz	TZKUZSJGLPOSLB-UEMWTREESA-N	-2	1	317.370	1.789	50	30		DDEAML
Cc1cc([O-])c(C(=O)C=Cc2ccc(C(=O)[O-])cc2)c(=O)o1	ZINC000028605409	406918552	/nfs/dbraw/zinc/91/85/52/406918552.db2.gz	GHTYXFQIWORRGH-GBXSZLQWSA-N	-2	1	300.266	1.613	50	30		DDEAML
O=C([O-])Cc1sc(NN=Cc2ccc(Cl)cc2)nc1[O-]	ZINC000008048438	406776843	/nfs/dbraw/zinc/77/68/43/406776843.db2.gz	QXQDXPYEAMYLBE-ISKYKNHCSA-N	-2	1	311.750	1.736	50	30		DDEAML