smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(-c2n[n-]c(=S)n2N=Cc2ccccc2[O-])cc(OC)c1OC	ZINC000004273577	521901112	/nfs/dbraw/zinc/90/11/12/521901112.db2.gz	REMHLUDVXNDJGN-VXLYETTFSA-N	-2	3	386.433	3.221	50	30		GGEAHL
[O-]c1ccccc1C=NNc1nnc2c3cc(Br)ccc3nc-2[n-]1	ZINC000004737286	564206178	/nfs/dbraw/zinc/20/61/78/564206178.db2.gz	NXEDWGDMHHIWLH-QGMBQPNBSA-N	-2	3	383.209	3.420	50	30		GGEAHL
COc1cc([O-])ccc1-c1cc(-c2[nH]c(C)c(C(=O)[O-])c2C)nc(N)c1C#N	ZINC000071749427	570282668	/nfs/dbraw/zinc/28/26/68/570282668.db2.gz	SZPBHWVNAOSUIQ-UHFFFAOYSA-N	-2	3	378.388	3.227	50	30		GGEAHL
CCc1ccc([C@H]2C(=C(C)[O-])C(=O)C(=O)N2c2ccc(OCC(=O)[O-])cc2)cc1	ZINC000004576393	570904686	/nfs/dbraw/zinc/90/46/86/570904686.db2.gz	VNVZDYBUFJQZKU-FQEVSTJZSA-N	-2	3	395.411	3.201	50	30		GGEAHL
CCc1ccc([C@@H]2C(=C(C)[O-])C(=O)C(=O)N2c2ccc(OCC(=O)[O-])cc2)cc1	ZINC000004576392	570904768	/nfs/dbraw/zinc/90/47/68/570904768.db2.gz	VNVZDYBUFJQZKU-HXUWFJFHSA-N	-2	3	395.411	3.201	50	30		GGEAHL
[O-]c1cc(O)ccc1C=NNc1nnc2c3cc(Br)ccc3nc-2[n-]1	ZINC000006861875	220972329	/nfs/dbraw/zinc/97/23/29/220972329.db2.gz	NJSHFRJHVFUGMI-CNHKJKLMSA-N	-2	3	399.208	3.126	50	30		GGEAHL
[O-]c1ccc(Br)cc1C=NNc1nnc2c3ccccc3nc-2[n-]1	ZINC000004577527	564203835	/nfs/dbraw/zinc/20/38/35/564203835.db2.gz	YSDSXGYGWQGOAL-QGMBQPNBSA-N	-2	3	383.209	3.420	50	30		GGEAHL
CCCc1cc(=O)[n-]c(NN=Cc2cc(Br)c([O-])c(OCC)c2)n1	ZINC000031783812	564392344	/nfs/dbraw/zinc/39/23/44/564392344.db2.gz	ISORFDLSXLLSIG-NVMNQCDNSA-N	-2	3	395.257	3.035	50	30		GGEAHL
CCc1ccc(-n2c([O-])c(C=Nc3ccc(OC)nc3)c(=O)[n-]c2=S)cc1	ZINC000101590223	570826833	/nfs/dbraw/zinc/82/68/33/570826833.db2.gz	WXUAPDLLRHFQCT-RGVLZGJSSA-N	-2	3	382.445	3.317	50	30		GGEAHL
COc1cccc2cc(-c3cs/c(=N\N=C\c4ccccc4[O-])[n-]3)c(=O)oc21	ZINC000004863118	204083005	/nfs/dbraw/zinc/08/30/05/204083005.db2.gz	RSAITKCJXFUIJR-UFFVCSGVSA-N	-2	3	393.424	3.499	50	30		GGEAHL
[O-]c1c(Br)cc(Br)cc1C=NNc1n[n-]c(=S)[nH]1	ZINC000102443905	526322587	/nfs/dbraw/zinc/32/25/87/526322587.db2.gz	XVKMTTHIYITUPJ-KGVSQERTSA-N	-2	3	393.064	3.144	50	30		GGEAHL
[O-]c1c(Br)cc(Br)cc1C=NNc1n[nH]c(=S)[n-]1	ZINC000102443905	526322593	/nfs/dbraw/zinc/32/25/93/526322593.db2.gz	XVKMTTHIYITUPJ-KGVSQERTSA-N	-2	3	393.064	3.144	50	30		GGEAHL
O=S(=O)([N-]c1ccc(Cl)nn1)c1ccc(/N=C/c2ccccc2[O-])cc1	ZINC000100457139	208376765	/nfs/dbraw/zinc/37/67/65/208376765.db2.gz	PTPZVGGAWQLHDD-YBFXNURJSA-N	-2	3	388.836	3.387	50	30		GGEAHL
CCN=C([S-])NN=Cc1cc(Br)cc(Br)c1[O-]	ZINC000012374315	521508963	/nfs/dbraw/zinc/50/89/63/521508963.db2.gz	PZLNDRPABDGZQI-RZNTYIFUSA-N	-2	3	381.093	3.146	50	30		GGEAHL
C=CCN=C([S-])NN=Cc1cc(Br)cc(Br)c1[O-]	ZINC000012363491	518823065	/nfs/dbraw/zinc/82/30/65/518823065.db2.gz	YHVZPGMZFWIXGH-UUASQNMZSA-N	-2	3	393.104	3.313	50	30		GGEAHL
Nc1c(-c2nc(-c3ccccc3)cs2)c([O-])cn1N=Cc1cccc([O-])c1	ZINC000013689147	570775154	/nfs/dbraw/zinc/77/51/54/570775154.db2.gz	LEMUPUPYZCTMLR-LSHDLFTRSA-N	-2	3	376.441	3.062	50	30		GGEAHL
CCc1nnc([N-]S(=O)(=O)c2ccc(/N=C/c3ccccc3[O-])cc2)s1	ZINC000100032009	522777916	/nfs/dbraw/zinc/77/79/16/522777916.db2.gz	WARYRUKTRCIDQJ-WOJGMQOQSA-N	-2	3	388.474	3.358	50	30		GGEAHL