smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1[nH]n(-c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1C=CC=C1C(=O)N(c2ccc(S(=O)(=O)[O-])cc2)N=C1C	ZINC000100287247	1059002100	/nfs/dbraw/zinc/00/21/00/1059002100.db2.gz	FNDCLGUEMQQMSV-XSVOUFOASA-N	-2	1	544.567	2.742	50	10		KFCAML
Cc1[n-]n(-c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1C=CC=C1C(=O)N(c2ccc(S(=O)(=O)[O-])cc2)N=C1C	ZINC000100287247	1059002080	/nfs/dbraw/zinc/00/20/80/1059002080.db2.gz	FNDCLGUEMQQMSV-XSVOUFOASA-N	-3	1	544.567	2.742	50	10		KFCAML
CC1=NN(c2ccc(S(=O)(=O)[O-])cc2)C(=O)C1=CC=CC=Cc1c[n-]n(-c2ccc(S(=O)(=O)[O-])cc2)c1=O	ZINC000102315681	554911299	/nfs/dbraw/zinc/91/12/99/554911299.db2.gz	IZAFGQOPMYBPEN-UGBNICJDSA-N	-3	1	556.578	2.590	50	10		KFCAML
CC1=NN(c2ccc(S(=O)(=O)[O-])cc2)C(=O)C1=CC=CC=Cc1c[nH]n(-c2ccc(S(=O)(=O)[O-])cc2)c1=O	ZINC000102315681	554911297	/nfs/dbraw/zinc/91/12/97/554911297.db2.gz	IZAFGQOPMYBPEN-UGBNICJDSA-N	-2	1	556.578	2.590	50	10		KFCAML
CC1=NN(c2ccc(S(=O)(=O)[O-])cc2)C(=O)C1=CC=CC=Cc1c[n-]n(-c2ccc(S(=O)(=O)[O-])cc2)c1=O	ZINC000102315683	554911593	/nfs/dbraw/zinc/91/15/93/554911593.db2.gz	IZAFGQOPMYBPEN-UJZRXSKJSA-N	-3	1	556.578	2.590	50	10		KFCAML
CC1=NN(c2ccc(S(=O)(=O)[O-])cc2)C(=O)C1=CC=CC=Cc1c[nH]n(-c2ccc(S(=O)(=O)[O-])cc2)c1=O	ZINC000102315683	554911590	/nfs/dbraw/zinc/91/15/90/554911590.db2.gz	IZAFGQOPMYBPEN-UJZRXSKJSA-N	-2	1	556.578	2.590	50	10		KFCAML
Cc1cc(C2(c3cc(C)c(O)c(C[NH+](CC(=O)[O-])CC(=O)[O-])c3C)OC(=O)c3ccccc32)c(C)c(C[NH+](CC(=O)[O-])CC(=O)[O-])c1O	ZINC000150544523	571520637	/nfs/dbraw/zinc/52/06/37/571520637.db2.gz	KUHYJPVJIKNILS-UHFFFAOYSA-N	-2	1	664.664	2.736	50	10		KFCAML
Cc1cc(C2(c3cc(C)c(O)c(C[NH+](CC(=O)[O-])CC(=O)[O-])c3C)OC(=O)c3ccccc32)c(C)c(CN(CC(=O)[O-])CC(=O)[O-])c1O	ZINC000150544523	571520635	/nfs/dbraw/zinc/52/06/35/571520635.db2.gz	KUHYJPVJIKNILS-UHFFFAOYSA-N	-3	1	664.664	2.736	50	10		KFCAML
Nc1c(N=Nc2ccc(S(=O)(=O)CCOS(=O)(=O)[O-])cc2)c(S(=O)(=O)[O-])cc2c1C(=O)C(=NNc1ccc(S(=O)(=O)CCOS(=O)(=O)[O-])cc1)C(S(=O)(=O)[O-])=C2	ZINC000257355189	572321875	/nfs/dbraw/zinc/32/18/75/572321875.db2.gz	OTKRGWXWWWNPKU-UHFFFAOYSA-N	-4	1	903.904	2.638	50	10		KFCAML
O=S(=O)([O-])c1ccc2c(c1)cc(S(=O)(=O)[O-])c(O)c2N=Nc1c(O)c(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])ccc21	ZINC000257355247	572321891	/nfs/dbraw/zinc/32/18/91/572321891.db2.gz	ZHACZGMWBSRPKU-UHFFFAOYSA-N	-4	1	634.600	2.806	50	10		KFCAML