smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(N2[N-]C(=O)/C(=C\c3cc(Br)cc(Br)c3[O-])C2=O)cc1C	ZINC000003101534	194225795	/nfs/dbraw/zinc/22/57/95/194225795.db2.gz	XBUCHNNLTMKSGG-VGOFMYFVSA-N	-2	1	466.129	3.995	40	10		JHCBML
Cc1noc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3cc(Cl)cc(Cl)c3[O-])cc2)c1C	ZINC000019419323	452922820	/nfs/dbraw/zinc/92/28/20/452922820.db2.gz	HSHSRLABMKDRNW-UHFFFAOYSA-N	-3	1	492.362	3.905	40	10		JHCBML
CC(=Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1)c1c(C)[n-]n(-c2ccc([N+](=O)[O-])cc2)c1=O	ZINC000113469132	569861812	/nfs/dbraw/zinc/86/18/12/569861812.db2.gz	XZBPODUIPDIGFU-JCMHNJIXSA-N	-2	1	492.517	3.899	40	10		JHCBML
O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C/c1cc(Br)cc(Br)c1[O-]	ZINC000210511351	569876043	/nfs/dbraw/zinc/87/60/43/569876043.db2.gz	TXZWNXLQXRHVTC-KPKJPENVSA-N	-2	1	466.085	3.584	40	10		JHCBML
O=C([O-])c1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Cl)c(C(=O)[O-])c4)o3)C(=O)NC2=S)cc1	ZINC000409189812	570161496	/nfs/dbraw/zinc/16/14/96/570161496.db2.gz	SZERFELWTWTVIR-YBEGLDIGSA-N	-2	1	496.884	3.828	40	10		JHCBML
CCNc1ccc(NN=C2C(=O)c3c([O-])cc(S(=O)(=O)[O-])cc3C=C2S(=O)(=O)[O-])cc1	ZINC000004366940	520278791	/nfs/dbraw/zinc/27/87/91/520278791.db2.gz	NYGXIUUDFXQSGG-QZQOTICOSA-N	-3	1	467.481	3.592	40	10		JHCBML
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c(Br)c(Cl)c1[O-]	ZINC000408898317	570067711	/nfs/dbraw/zinc/06/77/11/570067711.db2.gz	KXHFHQXTWXOSMQ-KPKJPENVSA-N	-2	1	465.687	3.792	40	10		JHCBML
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3[O-])C2=O)cc1	ZINC000409045046	570108424	/nfs/dbraw/zinc/10/84/24/570108424.db2.gz	XVGRLDCRSIFVBG-NTUHNPAUSA-N	-2	1	496.111	3.592	40	10		JHCBML
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3[O-])C2=O)cc1	ZINC000059426719	569603623	/nfs/dbraw/zinc/60/36/23/569603623.db2.gz	KQIHSINWJJWANE-NTUHNPAUSA-N	-2	1	480.112	3.892	40	10		JHCBML
COc1cc(S(=O)(=O)[O-])c(C)cc1NN=C1C(=O)C=Cc2cc(S(=O)(=O)[O-])ccc21	ZINC000253639021	570105463	/nfs/dbraw/zinc/10/54/63/570105463.db2.gz	UQWIHFJXDRNUDP-UHFFFAOYSA-N	-2	1	452.466	3.771	40	10		JHCBML
O=C([O-])[C@H](Cc1ccc(O)c(O)c1)OC(=O)/C=C/c1ccc([O-])c2oc(-c3ccc(O)c(O)c3)cc21	ZINC000014690028	555838191	/nfs/dbraw/zinc/83/81/91/555838191.db2.gz	GCJWPRRNLSHTRY-WAWJGKILSA-N	-2	1	492.436	3.880	40	10		JHCBML
O=C1c2c([O-])cc(S(=O)(=O)[O-])cc2C=C(S(=O)(=O)[O-])C1=NNc1cc(Cl)ccc1O	ZINC000017380101	556260558	/nfs/dbraw/zinc/26/05/58/556260558.db2.gz	KBLPVLOHGYMDQP-HNENSFHCSA-N	-3	1	474.856	3.519	40	10		JHCBML
COc1ccc(-n2[n-]c(C)c(C(C)=Nc3ccc(S(=O)(=O)[N-]c4ccccn4)cc3)c2=O)cc1	ZINC000112296725	569861233	/nfs/dbraw/zinc/86/12/33/569861233.db2.gz	IIAFZULUHXFSAN-KQWNVCNZSA-N	-2	1	477.546	4.000	40	10		JHCBML
O=C([O-])c1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(C(=O)[O-])c(Cl)c4)o3)C(=O)NC2=S)cc1	ZINC000409191730	570162157	/nfs/dbraw/zinc/16/21/57/570162157.db2.gz	LUGSSHYUPKAHAN-MHWRWJLKSA-N	-2	1	496.884	3.828	40	10		JHCBML
O=S(=O)([N-]c1nccs1)c1ccc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2[O-])cc1	ZINC000019593671	452922394	/nfs/dbraw/zinc/92/23/94/452922394.db2.gz	UXOAPJWFFCGMFD-UHFFFAOYSA-N	-3	1	480.376	3.757	40	10		JHCBML
Nc1cc([N+](=O)[O-])cc2cc(S(=O)(=O)[O-])c(N=Nc3cc([N+](=O)[O-])cc(Cl)c3[O-])c(O)c12	ZINC000025694219	556230537	/nfs/dbraw/zinc/23/05/37/556230537.db2.gz	PDMUIYTZNPZMRN-VXPUYCOJSA-N	-2	1	483.802	3.965	40	10		JHCBML
O=C([O-])c1cccc(N2C(=O)/C(=C\c3ccc(-c4cc(C(=O)[O-])ccc4Cl)o3)C(=O)NC2=S)c1	ZINC000009324325	555097001	/nfs/dbraw/zinc/09/70/01/555097001.db2.gz	XSXIBVMWMUCLGT-YBEGLDIGSA-N	-2	1	496.884	3.828	40	10		JHCBML
Nc1cc([N+](=O)[O-])cc2cc(S(=O)(=O)[O-])c(N=Nc3cc([N+](=O)[O-])cc(Cl)c3[O-])c(O)c12	ZINC000100429968	569760858	/nfs/dbraw/zinc/76/08/58/569760858.db2.gz	PDMUIYTZNPZMRN-FMQUCBEESA-N	-2	1	483.802	3.965	40	10		JHCBML
O=C([O-])c1ccc(N2C(=O)/C(=C/c3ccc(-c4cc(C(=O)[O-])ccc4Cl)o3)C(=O)NC2=S)cc1	ZINC000409189399	570161407	/nfs/dbraw/zinc/16/14/07/570161407.db2.gz	GDYZUUBRNIAOSV-MHWRWJLKSA-N	-2	1	496.884	3.828	40	10		JHCBML
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)c(Br)c(Cl)c1[O-]	ZINC000059336666	195397544	/nfs/dbraw/zinc/39/75/44/195397544.db2.gz	YVKPJMYDGLJWOI-IZZDOVSWSA-N	-2	1	469.650	3.622	40	10		JHCBML
Cc1ccc(N2[N-]C(=O)/C(=C/c3cc(Br)cc(Br)c3[O-])C2=O)cc1C	ZINC000016312195	556134849	/nfs/dbraw/zinc/13/48/49/556134849.db2.gz	XBUCHNNLTMKSGG-AUWJEWJLSA-N	-2	1	466.129	3.995	40	10		JHCBML