smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)C=Cc3ccc(F)cc3)cc2)ncn1	ZINC000033395831	522757024	/nfs/dbraw/zinc/75/70/24/522757024.db2.gz	FCXQECPBHWAPLO-WCIBSUBMSA-N	0	2	487.538	2.952	10	0		JFAELN
CCCCNC(=O)C[NH+]1CCN(c2ncc(NC(=O)c3ccc(Cl)cc3)cc2C(=O)[O-])CC1	ZINC000034871952	520618327	/nfs/dbraw/zinc/61/83/27/520618327.db2.gz	MUIOGIWOVPYBMA-UHFFFAOYSA-N	0	2	473.961	2.724	10	0		JFAELN
COc1cc2c(cc1OC)C(C[C@H]1CN(S(=O)(=O)C(C)C)CC[C@H]1CC(=O)[O-])=[NH+]CC2	ZINC000049590439	291486705	/nfs/dbraw/zinc/48/67/05/291486705.db2.gz	XCANFLZCLKLJGF-RDJZCZTQSA-N	0	2	452.573	2.590	10	0		JFAELN
CCN(C)S(=O)(=O)c1ccc(Oc2c(C)cc(-n3ncc(=O)[nH]c3=O)cc2Cl)c(Cl)c1	ZINC000029555840	563106646	/nfs/dbraw/zinc/10/66/46/563106646.db2.gz	WPIZTBAPUUCMTF-UHFFFAOYSA-N	0	2	485.349	2.969	10	0		JFAELN
Cc1ccc(S(=O)(=O)n2ccc3c2nc[nH+]c3N(C)C2CCC(CS(=O)(=O)[O-])CC2)cc1	ZINC000079012820	525635921	/nfs/dbraw/zinc/63/59/21/525635921.db2.gz	LTSRJGDQMHSSQX-UHFFFAOYSA-N	0	2	478.596	2.860	10	0		JFAELN
COc1cc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)C=Cc3ccccc3)cc2)nc(OC)n1	ZINC000033387717	522755771	/nfs/dbraw/zinc/75/57/71/522755771.db2.gz	YFXDGHVHSRHSQL-JYRVWZFOSA-N	0	2	499.574	2.821	10	0		JFAELN
CCCCC(=O)Nc1cnc(N2CC[NH+](CC(=O)Nc3ccc(C)cc3)CC2)c(C(=O)[O-])c1	ZINC000064979030	519915634	/nfs/dbraw/zinc/91/56/34/519915634.db2.gz	QYTLVZGCCMZEGR-UHFFFAOYSA-N	0	2	453.543	2.978	10	0		JFAELN
COc1ccc(/C=C\C(=O)Nc2ccc(S(=O)(=O)Nc3cc(OC)nc(OC)n3)cc2)cc1	ZINC000033449052	523433328	/nfs/dbraw/zinc/43/33/28/523433328.db2.gz	SOONJJYRAIKGMW-MLPAPPSSSA-N	0	2	470.507	2.955	10	0		JFAELN
COc1ccc(CCNC(=O)CCc2nnc(-c3cc(OC)c(OC)c(OC)c3)[nH]c2=O)cc1OC	ZINC000040426194	569828013	/nfs/dbraw/zinc/82/80/13/569828013.db2.gz	IHRGNWDDUWIDQG-UHFFFAOYSA-N	0	2	498.536	2.579	10	0		JFAELN
CCCCCOC(=O)Nc1nc(=O)n([C@@H]2O[C@H](C)[C@@H](OC(=O)c3ccccc3)[C@H]2O)cc1F	ZINC000103542322	569836135	/nfs/dbraw/zinc/83/61/35/569836135.db2.gz	WOOJFMXOPVWKQZ-VVHMCBODSA-N	0	2	463.462	2.625	10	0	in-vitro	JFAELN
O=C1N/C(=N/Nc2nc(-c3ccc(O)c(O)c3)cs2)SC1=Cc1ccc2c(c1)OCO2	ZINC000048552947	569846646	/nfs/dbraw/zinc/84/66/46/569846646.db2.gz	FGKUOWWJIPWCFO-UBKPWBPPSA-N	0	2	454.489	3.537	10	0		JFAELN
CCN(CC)C(=O)C[NH+]1CCN(c2ncc(NC(=O)c3ccccc3Cl)cc2C(=O)[O-])CC1	ZINC000021716436	520485017	/nfs/dbraw/zinc/48/50/17/520485017.db2.gz	UBNRJENCHCCYJB-UHFFFAOYSA-N	0	2	473.961	2.676	10	0		JFAELN