smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#Cc1c(N)nc(SCC(=O)Nc2ccc(O)c(C(=O)[O-])c2)c(C#N)c1-c1ccccc1	ZINC000020530154	526527283	/nfs/dbraw/zinc/52/72/83/526527283.db2.gz	HHSGQRMQYNSVFV-UHFFFAOYSA-N	-1	0	445.460	3.209	10	30		IGEERM
CC1(C)N2O[C@]1(CN1C=C(c3ccccc3)C(=O)[C@]1(O)c1ccccc1C(=O)[O-])CC2(C)C	ZINC000216084682	520587717	/nfs/dbraw/zinc/58/77/17/520587717.db2.gz	WSWHKOYYGRWYKA-IZZNHLLZSA-N	-1	0	448.519	3.403	10	30		IGEERM
COc1cccc(/C=N\c2ccc(S(=O)(=O)[N-]c3cc(OC)nc(OC)n3)cc2)c1	ZINC000012574385	525777771	/nfs/dbraw/zinc/77/77/71/525777771.db2.gz	DRFAGBJMPNOBEP-BKUYFWCQSA-N	-1	0	428.470	3.054	10	30		IGEERM
C=CCOC(=O)N1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)C[C@H]1C(=O)[O-]	ZINC000095748824	518975214	/nfs/dbraw/zinc/97/52/14/518975214.db2.gz	SOJHALTUEUWPIR-NRFANRHFSA-N	-1	0	436.464	3.329	10	30		IGEERM
C=CCOC(=O)N1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)C[C@@H]1C(=O)[O-]	ZINC000095748823	518975026	/nfs/dbraw/zinc/97/50/26/518975026.db2.gz	SOJHALTUEUWPIR-OAQYLSRUSA-N	-1	0	436.464	3.329	10	30		IGEERM
N=C1S[C@@H](C(=O)Nc2ccc(C(=O)[O-])cc2)CC(=O)N1/N=C/c1c[nH]c2ccccc12	ZINC000020533792	526839846	/nfs/dbraw/zinc/83/98/46/526839846.db2.gz	KGFYXYYNMAXNBH-VMZASRMUSA-N	-1	0	435.465	3.108	10	30		IGEERM
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)CC(=O)OCCC(=O)[O-]	ZINC000118914429	557405160	/nfs/dbraw/zinc/40/51/60/557405160.db2.gz	YROMDMSNNUQLRC-XHTVEQNMSA-N	-1	0	446.540	3.082	10	30		IGEERM
N#Cc1c(=O)[n-]c(SCC(=O)Nc2ccccc2Br)nc1-c1ccco1	ZINC000020508066	526517333	/nfs/dbraw/zinc/51/73/33/526517333.db2.gz	JPVFMJQJHXDUNZ-UHFFFAOYSA-N	-1	0	431.271	3.395	10	30		IGEERM
COc1cc(/C=C2\Oc3c(ccc([O-])c3CN3CCCOC3)C2=O)cc(OC)c1OC	ZINC000094993449	521967651	/nfs/dbraw/zinc/96/76/51/521967651.db2.gz	KSOVMAGZZSYPNL-NVMNQCDNSA-N	-1	0	427.453	3.214	10	30		IGEERM
C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)CC(=O)OCCC(=O)[O-]	ZINC000103529026	557315967	/nfs/dbraw/zinc/31/59/67/557315967.db2.gz	YROMDMSNNUQLRC-LJSGUCQSSA-N	-1	0	446.540	3.082	10	30		IGEERM
O=C([O-])c1ccc(Cl)c(S(=O)(=O)ON2C(=O)c3cccc4cccc(c43)C2=O)c1	ZINC000226860816	526370253	/nfs/dbraw/zinc/37/02/53/526370253.db2.gz	YBHZJTLHFRGVNM-UHFFFAOYSA-N	-1	0	431.809	3.108	10	30		IGEERM
O=C([O-])c1cc(S(=O)(=O)ON2C(=O)c3cccc4cccc(c43)C2=O)ccc1Cl	ZINC000226856321	556685559	/nfs/dbraw/zinc/68/55/59/556685559.db2.gz	QGZPEVJZSHHMNU-UHFFFAOYSA-N	-1	0	431.809	3.108	10	30		IGEERM
N=C1S[C@H](C(=O)Nc2ccc(C(=O)[O-])cc2)CC(=O)N1/N=C/c1c[nH]c2ccccc12	ZINC000020533791	526839440	/nfs/dbraw/zinc/83/94/40/526839440.db2.gz	KGFYXYYNMAXNBH-ZUIXKAJQSA-N	-1	0	435.465	3.108	10	30		IGEERM
C=CCCC(=O)N1CCc2c(sc(S(=O)(=O)[N-]c3ccccc3C)c2C(=O)OC)C1	ZINC000011785306	568820542	/nfs/dbraw/zinc/82/05/42/568820542.db2.gz	PDFRETBJFKXNOG-UHFFFAOYSA-N	-1	0	448.566	3.495	10	30		IGEERM
CN1c2ccc(Br)cc2C(=N[N-]c2nnc3c4ccccc4n(C)c3n2)C1=O	ZINC000020428236	557016089	/nfs/dbraw/zinc/01/60/89/557016089.db2.gz	QTZCFZROZGLYPA-KQWNVCNZSA-N	-1	0	436.273	3.072	10	30		IGEERM