smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[O-]c1ccc(Cl)cc1/C=N/N1CCN(/N=C\c2cc(Cl)ccc2[O-])CC1	ZINC000017422599	526347336	/nfs/dbraw/zinc/34/73/36/526347336.db2.gz	YLVBILUZOVUXKN-ZCJKAFFOSA-N	-2	3	393.274	3.390	40	30		GGEBHL
O=S(=O)([N-]/N=C\c1ccc(O)cc1[O-])c1cc(Cl)c(Cl)cc1Cl	ZINC000017379844	564298018	/nfs/dbraw/zinc/29/80/18/564298018.db2.gz	RIGPAAZGVWRVHW-FMQZQXMHSA-N	-2	3	395.651	3.370	40	30		GGEBHL
[O-]c1ccc(Cl)cc1/C=N\NC(=S)N/N=C\c1cc(Cl)ccc1[O-]	ZINC000104388445	564954832	/nfs/dbraw/zinc/95/48/32/564954832.db2.gz	DJCOGVNAADFKNZ-DZWUWFSDSA-N	-2	3	383.260	3.237	40	30		GGEBHL
O=C([O-])c1ccc(C/N=C/c2ccc([O-])c(I)c2)cc1	ZINC000408903892	231127560	/nfs/dbraw/zinc/12/75/60/231127560.db2.gz	AYCHIDKDCZWTDA-RQZCQDPDSA-N	-2	3	381.169	3.314	40	30		GGEBHL
[O-]c1ccc(Cl)cc1/C=N/N1CCN(/N=C/c2cc(Cl)ccc2[O-])CC1	ZINC000001700735	209337529	/nfs/dbraw/zinc/33/75/29/209337529.db2.gz	YLVBILUZOVUXKN-XHQRYOPUSA-N	-2	3	393.274	3.390	40	30		GGEBHL
C/C(=N\c1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1ccc(O)cc1[O-]	ZINC000101670098	518472037	/nfs/dbraw/zinc/47/20/37/518472037.db2.gz	KCRZGVZOMQPCHV-YBFXNURJSA-N	-2	3	389.458	3.496	40	30		GGEBHL
C/C(=N\c1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1ccc([O-])cc1O	ZINC000101670098	518472039	/nfs/dbraw/zinc/47/20/39/518472039.db2.gz	KCRZGVZOMQPCHV-YBFXNURJSA-N	-2	3	389.458	3.496	40	30		GGEBHL
Cc1[n-][nH]c(=O)c1C(c1ccc(-c2ccccc2C#N)o1)c1c(C)[n-][nH]c1=O	ZINC000409083751	533673020	/nfs/dbraw/zinc/67/30/20/533673020.db2.gz	LODQINFQUSGLMT-UHFFFAOYSA-N	-2	3	375.388	3.473	40	30		GGEBHL
[O-]c1c(Br)cc(C=NNc2ccccn2)c([O-])c1Br	ZINC000005332385	564215882	/nfs/dbraw/zinc/21/58/82/564215882.db2.gz	WLIQAIUAXFADBW-OMCISZLKSA-N	-2	3	387.031	3.464	40	30		GGEBHL
C#CCn1c(C)c(C(c2c(C)[n-][nH]c2=O)c2c(C)[n-][nH]c2=O)c2ccccc21	ZINC000014134630	570877284	/nfs/dbraw/zinc/87/72/84/570877284.db2.gz	UISAZZPTUXHOLY-UHFFFAOYSA-N	-2	3	375.432	3.237	40	30		GGEBHL
O=C([O-])c1cc(/N=C\c2ccc([O-])c(I)c2)ccc1O	ZINC000408904435	534541345	/nfs/dbraw/zinc/54/13/45/534541345.db2.gz	JIVCCQHHHBXCGC-APSNUPSMSA-N	-2	3	383.141	3.151	40	30		GGEBHL
CC(C)(C)C1=CC(=C(P(=O)([O-])[O-])P(=O)([O-])[O-])C=C(C(C)(C)C)C1=O	ZINC000001626570	564185431	/nfs/dbraw/zinc/18/54/31/564185431.db2.gz	WQKKAUBHJNKRLT-UHFFFAOYSA-N	-4	3	378.298	3.081	40	30		GGEBHL
O=c1nc(C=Cc2ccc(C=NNc3ccccc3)cc2)c([N+](=O)[O-])c([O-])[n-]1	ZINC000005603825	527322665	/nfs/dbraw/zinc/32/26/65/527322665.db2.gz	OLWXJEKWSGPKCU-GZKUGWNMSA-N	-2	3	377.360	3.412	40	30		GGEBHL
[O-]c1ccc(Cl)cc1/C=N/NC(=S)N/N=C\c1cc(Cl)ccc1[O-]	ZINC000104388449	564954786	/nfs/dbraw/zinc/95/47/86/564954786.db2.gz	DJCOGVNAADFKNZ-CLLFQMGYSA-N	-2	3	383.260	3.237	40	30		GGEBHL
O=S(=O)([N-]/N=C/c1ccc(O)cc1[O-])c1cc(Cl)c(Cl)cc1Cl	ZINC000001657196	212252104	/nfs/dbraw/zinc/25/21/04/212252104.db2.gz	RIGPAAZGVWRVHW-UBKPWBPPSA-N	-2	3	395.651	3.370	40	30		GGEBHL
[O-]c1ccc(Cl)cc1/C=N\N1CCN(/N=C\c2cc(Cl)ccc2[O-])CC1	ZINC000004990735	526347254	/nfs/dbraw/zinc/34/72/54/526347254.db2.gz	YLVBILUZOVUXKN-IINORCHSSA-N	-2	3	393.274	3.390	40	30		GGEBHL
O=[N+]([O-])c1cc(Cl)cc(C=N[N-]c2nnc3c4ccccc4[nH]c3n2)c1[O-]	ZINC000038166400	527333127	/nfs/dbraw/zinc/33/31/27/527333127.db2.gz	NCHAJULLQLFMAG-CNHKJKLMSA-N	-2	3	383.755	3.219	40	30		GGEBHL
O=c1nc(C=Cc2ccc(C=Nc3ccc(O)cc3)cc2)c([N+](=O)[O-])c([O-])[n-]1	ZINC000005569218	570446906	/nfs/dbraw/zinc/44/69/06/570446906.db2.gz	HUOFXZKENOFOSO-CEWXCCTESA-N	-2	3	378.344	3.423	40	30		GGEBHL
O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2ccc(C=Nc3ccc([O-])cc3)cc2)[nH]1	ZINC000005569218	570446907	/nfs/dbraw/zinc/44/69/07/570446907.db2.gz	HUOFXZKENOFOSO-CEWXCCTESA-N	-2	3	378.344	3.423	40	30		GGEBHL