smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccccc1-c1n[n-]c(=S)n1N=Cc1ccc(O)cc1[O-]	ZINC000001260504	452649291	/nfs/dbraw/zinc/64/92/91/452649291.db2.gz	YMNINRDDCPNAGD-RQZCQDPDSA-N	-2	3	326.381	3.210	50	30		EGEAHL
CCOc1cc(C=Nn2c(CC)n[n-]c2=S)cc(Cl)c1[O-]	ZINC000006519858	452950176	/nfs/dbraw/zinc/95/01/76/452950176.db2.gz	FBVARRJFERGZJQ-VIZOYTHASA-N	-2	3	326.809	3.143	50	30		EGEAHL
Cc1cc(O)cc([O-])c1C=Nn1c(-c2ccccc2)n[n-]c1=S	ZINC000006556583	452953714	/nfs/dbraw/zinc/95/37/14/452953714.db2.gz	QPZNJPSCEOAWLN-RQZCQDPDSA-N	-2	3	326.381	3.210	50	30		EGEAHL
Cc1cc(=O)[n-]c(NN=C(N=Nc2ccc([O-])cc2)c2ccccc2)n1	ZINC000013548326	453470137	/nfs/dbraw/zinc/47/01/37/453470137.db2.gz	TXPAHBROTXAZDN-HXNIXJDOSA-N	-2	3	348.366	3.342	50	30		EGEAHL
COc1ccc(-c2n[n-]c(=S)n2N=Cc2ccccc2[O-])cc1	ZINC000001246987	452649227	/nfs/dbraw/zinc/64/92/27/452649227.db2.gz	OHWQRVAHTCKZNF-LICLKQGHSA-N	-2	3	326.381	3.204	50	30		EGEAHL
CCc1ccc([O-])c(/N=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2[O-])c1	ZINC000003091170	452741551	/nfs/dbraw/zinc/74/15/51/452741551.db2.gz	CMZGUSIZJYKVIN-LZYBPNLTSA-N	-2	3	331.284	3.227	50	30		EGEAHL
CCCCc1nnc(NC(=O)c2c([O-])[n-]c3ccccc3c2=O)s1	ZINC000009045812	258053895	/nfs/dbraw/zinc/05/38/95/258053895.db2.gz	OYMWEDPVIOCPIT-UHFFFAOYSA-N	-2	3	344.396	3.064	50	30		EGEAHL
N#Cc1c(N)nc(-c2cc(C(=O)[O-])cs2)cc1-c1ccc([O-])cc1	ZINC000071721650	303177181	/nfs/dbraw/zinc/17/71/81/303177181.db2.gz	YUQYIYQAYKGOCI-UHFFFAOYSA-N	-2	3	337.360	3.335	50	30		EGEAHL
CCOc1ccc(C=NNc2nnc3c4ccccc4nc-3[n-]2)c([O-])c1	ZINC000004785775	210279125	/nfs/dbraw/zinc/27/91/25/210279125.db2.gz	CNKSPYMQKLODNW-VXLYETTFSA-N	-2	3	348.366	3.056	50	30		EGEAHL
CC(=O)c1cccc2c1[N-]C(=C1[N-]c3c(cccc3C(C)=O)C1=O)C2=O	ZINC000102347655	278252025	/nfs/dbraw/zinc/25/20/25/278252025.db2.gz	NGHFBPAFTMSWPC-ISLYRVAYSA-N	-2	3	346.342	3.220	50	30		EGEAHL
O=C1c2ccccc2N[C@H](c2cc(Br)ccc2[O-])N1[O-]	ZINC000001012019	452640948	/nfs/dbraw/zinc/64/09/48/452640948.db2.gz	CBLZDSSYVRALLE-ZDUSSCGKSA-N	-2	3	335.157	3.110	50	30		EGEAHL
Cc1cc(N(C)/N=C/c2ccccc2[O-])nc(-c2ccccc2[O-])n1	ZINC000004697416	525012619	/nfs/dbraw/zinc/01/26/19/525012619.db2.gz	MGZJSZRKDXNQNZ-UDWIEESQSA-N	-2	3	334.379	3.334	50	30		EGEAHL
CCc1ccc2nc3[n-]c(NN=Cc4ccccc4[O-])nnc-3c2c1	ZINC000005471605	452876252	/nfs/dbraw/zinc/87/62/52/452876252.db2.gz	KCMNBNIWLPKADN-VXLYETTFSA-N	-2	3	332.367	3.220	50	30		EGEAHL
[O-]c1ccccc1/C=N/C(=S)C(=S)/N=C/c1ccccc1[O-]	ZINC000071769571	454216513	/nfs/dbraw/zinc/21/65/13/454216513.db2.gz	AHHQAAQTSSKBRG-BEQMOXJMSA-N	-2	3	328.418	3.291	50	30		EGEAHL
COc1ccccc1-c1n[n-]c(=S)n1N=Cc1ccccc1[O-]	ZINC000001270404	452650674	/nfs/dbraw/zinc/65/06/74/452650674.db2.gz	MZTUZSFCOSNARK-LICLKQGHSA-N	-2	3	326.381	3.204	50	30		EGEAHL
N#Cc1c(=O)[n-]c(-c2ccccc2[O-])cc1-c1ccc2c(c1)OCO2	ZINC000000085982	452502095	/nfs/dbraw/zinc/50/20/95/452502095.db2.gz	YYGAJCRLZTWLGE-UHFFFAOYSA-N	-2	3	332.315	3.015	50	30		EGEAHL
C=CCn1c(CCCCc2n[n-]c(=S)n2CC=C)n[n-]c1=S	ZINC000025557909	453777602	/nfs/dbraw/zinc/77/76/02/453777602.db2.gz	VPNYZIFYDCAKDP-UHFFFAOYSA-N	-2	3	336.490	3.132	50	30		EGEAHL
Cc1[n-]n(-c2ccccc2)c(=O)c1C=N[N-]c1nc2ccccc2o1	ZINC000005921348	452910353	/nfs/dbraw/zinc/91/03/53/452910353.db2.gz	JJSHLRWCCDKDFR-YBFXNURJSA-N	-2	3	333.351	3.474	50	30		EGEAHL
CC(=NNc1nnc2c3cccc(C)c3nc-2[n-]1)c1ccccc1[O-]	ZINC000004380344	210183295	/nfs/dbraw/zinc/18/32/95/210183295.db2.gz	XBKQPCQEMNBCRP-SRZZPIQSSA-N	-2	3	332.367	3.356	50	30		EGEAHL
O=C1c2ccc([O-])cc2O/C1=C\c1ccc([O-])c(Br)c1	ZINC000071813691	454223067	/nfs/dbraw/zinc/22/30/67/454223067.db2.gz	JESIXYXLFKMDAO-NSIKDUERSA-N	-2	3	333.137	3.477	50	30		EGEAHL
[O-]c1cc(O)ccc1C=Nn1c(-c2ccccc2F)n[n-]c1=S	ZINC000001271963	452650972	/nfs/dbraw/zinc/65/09/72/452650972.db2.gz	HBEYPPDZJBKKSB-CAOOACKPSA-N	-2	3	330.344	3.040	50	30		EGEAHL
O=S(=O)([N-]/N=C/c1ccccc1[O-])c1cc(Cl)ccc1Cl	ZINC000006660800	452965546	/nfs/dbraw/zinc/96/55/46/452965546.db2.gz	JAVHLPHLLSFRIR-LZYBPNLTSA-N	-2	3	345.207	3.011	50	30		EGEAHL
O=C1c2ccccc2N[C@@H](c2cc(Br)ccc2[O-])N1[O-]	ZINC000001012020	452641601	/nfs/dbraw/zinc/64/16/01/452641601.db2.gz	CBLZDSSYVRALLE-CYBMUJFWSA-N	-2	3	335.157	3.110	50	30		EGEAHL
CC(=NNc1nnc2c3cc(C)ccc3nc-2[n-]1)c1ccccc1[O-]	ZINC000015018409	453551868	/nfs/dbraw/zinc/55/18/68/453551868.db2.gz	CTLICLFOUPAIPJ-SRZZPIQSSA-N	-2	3	332.367	3.356	50	30		EGEAHL
O=C([O-])c1ccccc1CC(=O)Nc1nnc(-c2cccs2)[n-]1	ZINC000071286128	454203556	/nfs/dbraw/zinc/20/35/56/454203556.db2.gz	MIJPSEOMJUDVJZ-UHFFFAOYSA-N	-2	3	328.353	3.062	50	30		EGEAHL
O=C([O-])c1ccccc1CC(=O)Nc1n[n-]c(-c2cccs2)n1	ZINC000071286128	454203565	/nfs/dbraw/zinc/20/35/65/454203565.db2.gz	MIJPSEOMJUDVJZ-UHFFFAOYSA-N	-2	3	328.353	3.062	50	30		EGEAHL
COc1cccc(-c2n[n-]c(=S)n2N=Cc2ccccc2[O-])c1	ZINC000001272252	452651289	/nfs/dbraw/zinc/65/12/89/452651289.db2.gz	IQEGIDLHCFOVHO-LICLKQGHSA-N	-2	3	326.381	3.204	50	30		EGEAHL
Cc1ccc(-c2n[n-]c(=S)n2N=Cc2ccc(O)cc2[O-])cc1	ZINC000006556821	452954327	/nfs/dbraw/zinc/95/43/27/452954327.db2.gz	LIQIPDSYXIFNGO-RQZCQDPDSA-N	-2	3	326.381	3.210	50	30		EGEAHL