smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)=CCc1c(O)ccc2c1O[C@H](c1ccc(O)c(O)c1)CC2=O	ZINC000013660194	201057153	/nfs/dbraw/zinc/05/71/53/201057153.db2.gz	ADFZZQAJJGHYDR-IBGZPJMESA-N	-1	0	340.375	4.019	3	10		EICFRM
COc1ccc(N=Nc2c(=O)o[n-]c2-c2ccc(OC)cc2)cc1	ZINC000101781111	204022645	/nfs/dbraw/zinc/02/26/45/204022645.db2.gz	ZWNNAQOPKFRGPE-VHEBQXMUSA-N	-1	0	325.324	4.480	1	10		EICFRM
Nc1[n-]n2c(nc(-c3ccccc3)cc2=O)c1N=Nc1ccccc1	ZINC000102722929	204046878	/nfs/dbraw/zinc/04/68/78/204046878.db2.gz	ZTNMGLZFDBALHQ-DQRAZIAOSA-N	-1	0	330.351	4.100	1	10		EICFRM
O=C1C=Cc2ccccc2C1=NNc1cccc(S(=O)(=O)[O-])c1	ZINC000004284453	205696888	/nfs/dbraw/zinc/69/68/88/205696888.db2.gz	SZZYVRCXNNQFKZ-ISLYRVAYSA-N	-1	0	328.349	4.208	1	10		EICFRM
O=C([O-])c1ccc([C@H]2Nc3c(F)cc(F)cc3[C@@H]3C=CC[C@@H]32)cc1	ZINC000111479059	204358457	/nfs/dbraw/zinc/35/84/57/204358457.db2.gz	DQSILZGBKAYAAI-JKIFEVAISA-N	-1	0	327.330	4.490	1	10		EICFRM
Nc1ccc(-n2c(-c3ccccc3)cc3c2CCCC3)cc1C(=O)[O-]	ZINC000039194354	213231611	/nfs/dbraw/zinc/23/16/11/213231611.db2.gz	FFQGGVHBCPOPJP-UHFFFAOYSA-N	-1	0	332.403	4.304	1	10		EICFRM
O=C([O-])c1ccc([N+](=O)[O-])c2c1N[C@@H](c1ccccc1)[C@@H]1CC=C[C@@H]21	ZINC000169295802	226238236	/nfs/dbraw/zinc/23/82/36/226238236.db2.gz	PGPYRHJVANSWEO-XNJGSVPQSA-N	-1	0	336.347	4.120	1	10		EICFRM
O=c1[n-]n2c(nc(C3CC3)cc2C(F)(F)F)c1N=Nc1ccccc1	ZINC000102651417	219219558	/nfs/dbraw/zinc/21/95/58/219219558.db2.gz	WDELGAYTDJGYPE-DQRAZIAOSA-N	-1	0	347.300	4.334	1	10		EICFRM
C[C@@H](Nc1ccccc1C(=O)c1ccc(Cl)cc1Cl)C(=O)[O-]	ZINC000053044819	214161586	/nfs/dbraw/zinc/16/15/86/214161586.db2.gz	ITTKSALYKYQTKA-SECBINFHSA-N	-1	0	338.190	4.109	1	10		EICFRM
O=C([O-])c1ccc([N+](=O)[O-])c2c1N[C@@H](c1ccccc1)[C@H]1CC=C[C@@H]21	ZINC000169295803	226237793	/nfs/dbraw/zinc/23/77/93/226237793.db2.gz	PGPYRHJVANSWEO-IGCXYCKISA-N	-1	0	336.347	4.120	1	10		EICFRM
CCOc1ccc2c(c1)C(=NNc1cccc(C(=O)[O-])c1)C(=O)N2C	ZINC000095543903	218434769	/nfs/dbraw/zinc/43/47/69/218434769.db2.gz	MWOGDAARLMVLEO-VXPUYCOJSA-N	-1	0	339.351	4.396	1	10		EICFRM
Cc1cc(C)n2[n-]c(=O)c(N=Nc3cccc(C(F)(F)F)c3)c2n1	ZINC000017887957	211973881	/nfs/dbraw/zinc/97/38/81/211973881.db2.gz	FQVAFGRKZUFQLS-MRCUWXFGSA-N	-1	0	335.289	4.074	1	10		EICFRM
Cc1ccc(N=Nc2c(N)[n-]n3c2nc(-c2ccccc2)cc3=O)cc1	ZINC000102325621	219194646	/nfs/dbraw/zinc/19/46/46/219194646.db2.gz	KIGHANJKBGICIZ-FCQUAONHSA-N	-1	0	344.378	4.408	1	10		EICFRM
Cc1ccc(N=Nc2c(N)[n-]n3c2nc(-c2ccccc2)cc3=O)cc1	ZINC000101474456	219128065	/nfs/dbraw/zinc/12/80/65/219128065.db2.gz	KIGHANJKBGICIZ-GHVJWSGMSA-N	-1	0	344.378	4.408	1	10		EICFRM
O=C([O-])c1cccc2c1N[C@@H](c1ccccc1[N+](=O)[O-])[C@@H]1CC=C[C@H]21	ZINC000004132679	210128331	/nfs/dbraw/zinc/12/83/31/210128331.db2.gz	OOTILHHLBMVKCX-XWCIJXRUSA-N	-1	0	336.347	4.120	1	10		EICFRM
Cc1cc(C)c(S(=O)(=O)[O-])cc1NN=C1C=C(C)C(=O)C(C)=C1	ZINC000103283659	219282369	/nfs/dbraw/zinc/28/23/69/219282369.db2.gz	JZUHAWDNVURDFI-ISLYRVAYSA-N	-1	0	334.397	4.288	1	10		EICFRM
O=C([O-])c1ccc(-n2c(-c3ccccc3)cc3c2CCCC3)cc1O	ZINC000039194350	213231439	/nfs/dbraw/zinc/23/14/39/213231439.db2.gz	UHVCMHJVYBDQGS-UHFFFAOYSA-N	-1	0	333.387	4.427	1	10		EICFRM
O=C([O-])c1cc(-n2c(-c3cccs3)cc3c2CCCC3)ccc1O	ZINC000039194374	213232013	/nfs/dbraw/zinc/23/20/13/213232013.db2.gz	BWLOCUXCFWSOHO-UHFFFAOYSA-N	-1	0	339.416	4.488	1	10		EICFRM