smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])c1ccc(Cn2cc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)c3ccccc32)o1	ZINC000107886728	569857827	/nfs/dbraw/zinc/85/78/27/569857827.db2.gz	FWVHFBUGASWNGG-YBFXNURJSA-N	-1	2	489.871	4.301	40	0		JIABLM
COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2c(C)[nH]n(-c3ccccc3)c2=O)C(=O)[O-])n1	ZINC000408633182	569984255	/nfs/dbraw/zinc/98/42/55/569984255.db2.gz	WWDFMHALMJNOEB-LZNAANCOSA-N	-1	2	483.937	4.233	40	0		JIABLM
Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3cn(Cc4ccc(C(=O)[O-])o4)c4ccccc34)C2=O)c1	ZINC000108076183	569858512	/nfs/dbraw/zinc/85/85/12/569858512.db2.gz	MAZTWDNZHTVNJQ-CIAFOILYSA-N	-1	2	483.480	4.264	40	0		JIABLM
Cc1ccc(S(=O)(=O)Nc2nc3ccc(C)cc3nc2NCc2ccc(C(=O)[O-])cc2)cc1	ZINC000016310427	525617825	/nfs/dbraw/zinc/61/78/25/525617825.db2.gz	HSWFGIIHASRZDC-UHFFFAOYSA-N	-1	2	462.531	4.358	40	0		JIABLM
COC(=O)c1ccc([C@@H]2c3c([nH]nc3-c3ccccc3)C(=O)N2c2ccc(C(=O)[O-])cc2)cc1	ZINC000002751071	554326080	/nfs/dbraw/zinc/32/60/80/554326080.db2.gz	RLTUOSJFSNYPCK-HSZRJFAPSA-N	-1	2	453.454	4.311	40	0		JIABLM
COC(=O)c1ccc([C@H]2c3c([nH]nc3-c3ccccc3)C(=O)N2c2ccc(C(=O)[O-])cc2)cc1	ZINC000002751070	554326089	/nfs/dbraw/zinc/32/60/89/554326089.db2.gz	RLTUOSJFSNYPCK-QHCPKHFHSA-N	-1	2	453.454	4.311	40	0		JIABLM
Cc1cc(S(=O)(=O)Nc2nnc3c(C(F)(F)F)cc(Cl)cn23)c([S-])cc1Cl	ZINC000001645167	194130520	/nfs/dbraw/zinc/13/05/20/194130520.db2.gz	SMHTWIVCTDYRNM-UHFFFAOYSA-N	-1	2	457.286	4.453	40	0		JIABLM
O=C(CS(=O)(=O)c1cccc2c1cccc2S(=O)(=O)C=C([O-])c1ccccc1)c1ccccc1	ZINC000000851602	553798513	/nfs/dbraw/zinc/79/85/13/553798513.db2.gz	VJMDSSAVZSQDTH-UHFFFAOYSA-N	-1	2	492.574	4.153	40	0		JIABLM
CCOc1cccc(N2C(=O)NC(=O)C(=Cc3cn(Cc4ccc(C(=O)[O-])o4)c4ccccc34)C2=O)c1	ZINC000108255294	569859305	/nfs/dbraw/zinc/85/93/05/569859305.db2.gz	IJKPBLSZBXGSRK-CIAFOILYSA-N	-1	2	499.479	4.046	40	0		JIABLM
Cc1[nH]n(-c2ccccc2)c(=O)c1C=C(Sc1nc(-c2ccc(Cl)cc2)n[nH]1)C(=O)[O-]	ZINC000408634991	569985528	/nfs/dbraw/zinc/98/55/28/569985528.db2.gz	WESKKOVHABHXPY-PCJMVEANSA-N	-1	2	453.911	4.225	40	0		JIABLM
COc1cc(C=C2C(=O)NC(=O)N(c3cccc(F)c3)C2=O)ccc1OCc1ccc(C(=O)[O-])o1	ZINC000033785146	569634969	/nfs/dbraw/zinc/63/49/69/569634969.db2.gz	OOZHDDRIBDMQHY-RQZCQDPDSA-N	-1	2	480.404	4.211	40	0		JIABLM
O=C([O-])c1sc2c(c1Cl)c(O)c(I)cc2I	ZINC000228949120	570040461	/nfs/dbraw/zinc/04/04/61/570040461.db2.gz	JNMNRZJIYHEULM-UHFFFAOYSA-N	-1	2	480.448	4.168	40	0		JIABLM
O=C([O-])c1ccc(Cn2cc(C=C3C(=O)NC(=O)N(c4ccccc4)C3=O)c3ccccc32)o1	ZINC000033643881	569629401	/nfs/dbraw/zinc/62/94/01/569629401.db2.gz	XDOHMFPFCOVGOX-XDHOZWIPSA-N	-1	2	455.426	4.488	40	0		JIABLM
O=C(Nc1ccc(N2CC[NH+](CCO)CC2)c(Cl)c1)c1ccc(O)c(Cc2ccccc2)c1	ZINC000257223725	570115108	/nfs/dbraw/zinc/11/51/08/570115108.db2.gz	DYPTVJNZHLADBL-UHFFFAOYSA-N	-1	2	465.981	4.003	40	0		JIABLM
CCCc1nc(SC(=Cc2cc(Br)c(O)c(Br)c2)C(=O)[O-])n[nH]1	ZINC000408630487	569982295	/nfs/dbraw/zinc/98/22/95/569982295.db2.gz	AHPZJGQZYUDNOL-POHAHGRESA-N	-1	2	463.151	4.206	40	0		JIABLM
Cc1[nH]n(-c2ccccc2)c(=O)c1C=C(Sc1nc(-c2ccc(Cl)cc2)n[nH]1)C(=O)[O-]	ZINC000408634990	569985523	/nfs/dbraw/zinc/98/55/23/569985523.db2.gz	WESKKOVHABHXPY-KTZOAPACSA-N	-1	2	453.911	4.225	40	0		JIABLM
COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2c(C)[nH]n(-c3ccccc3)c2=O)C(=O)[O-])n1	ZINC000408633179	569984353	/nfs/dbraw/zinc/98/43/53/569984353.db2.gz	WWDFMHALMJNOEB-CLXYIWAZSA-N	-1	2	483.937	4.233	40	0		JIABLM
CCc1nnc(S/C(=C\c2cc(Br)c(O)c(Br)c2)C(=O)[O-])o1	ZINC000408633416	569984603	/nfs/dbraw/zinc/98/46/03/569984603.db2.gz	YGTOSNWNRPHJGN-UITAMQMPSA-N	-1	2	450.108	4.080	40	0		JIABLM