smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2C(=O)c2ccc(F)c(F)c2)cc1	ZINC000040891826	563109936	/nfs/dbraw/zinc/10/99/36/563109936.db2.gz	WXUSNHOPQDFFEE-UHFFFAOYSA-N	0	1	430.432	3.955	10	10		IHCEMN
COc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)ccc1Oc1nc(Cl)ncc1F	ZINC000020228729	557001285	/nfs/dbraw/zinc/00/12/85/557001285.db2.gz	RYCRRSDDWSXYID-ZROIWOOFSA-N	0	1	440.818	3.531	10	10		IHCEMN
Cc1cc(N2CCN(C)CC2)nc2ccc(NC(=O)/C=C/c3ccc4c(c3)OCO4)cc12	ZINC000020114399	563023745	/nfs/dbraw/zinc/02/37/45/563023745.db2.gz	ACACNQSVUSCSPH-XBXARRHUSA-N	0	1	430.508	3.676	10	10		IHCEMN
COc1ccc(OC)c(/C=C/C(=O)Nc2ccc3nc(N4CCN(C)CC4)cc(C)c3c2)c1	ZINC000020114397	563023783	/nfs/dbraw/zinc/02/37/83/563023783.db2.gz	VSWLIQCLPNOHSV-BJMVGYQFSA-N	0	1	446.551	3.964	10	10		IHCEMN
O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1ccc(I)o1	ZINC000020495247	526945630	/nfs/dbraw/zinc/94/56/30/526945630.db2.gz	AHADMJWHILIYEG-CLFYSBASSA-N	0	1	442.209	3.695	10	10		IHCEMN
COc1ccc(N2CCN(CCCCOc3ccc4c(c3)NC(=O)CC4)CC2)c(OC)c1	ZINC000072106417	563163088	/nfs/dbraw/zinc/16/30/88/563163088.db2.gz	NVRRMHFWYSOBLH-UHFFFAOYSA-N	0	1	439.556	3.570	10	10		IHCEMN
CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2C(=O)c2cccc(F)c2F)cc1	ZINC000040893232	563110126	/nfs/dbraw/zinc/11/01/26/563110126.db2.gz	WZNHBLZWUKXSCI-UHFFFAOYSA-N	0	1	430.432	3.955	10	10		IHCEMN
COc1ccc(/C=C\C(=O)Nc2ccc3nc(N4CCN(C)CC4)cc(C)c3c2)cc1OC	ZINC000064245777	563152473	/nfs/dbraw/zinc/15/24/73/563152473.db2.gz	KFOHUCYWGJGHPM-POHAHGRESA-N	0	1	446.551	3.964	10	10		IHCEMN
COc1ccc(N2CCN(C(=O)C(=Cc3ccc(C)cc3)Sc3nc(C)n[nH]3)CC2)cc1	ZINC000048513354	556700200	/nfs/dbraw/zinc/70/02/00/556700200.db2.gz	OBKCGLQNHVHWQE-CJLVFECKSA-N	0	1	449.580	3.912	10	10		IHCEMN
COc1ccc(N2CCN(C(=O)C(=Cc3ccc(C)cc3)Sc3n[nH]c(C)n3)CC2)cc1	ZINC000048513354	556700202	/nfs/dbraw/zinc/70/02/02/556700202.db2.gz	OBKCGLQNHVHWQE-CJLVFECKSA-N	0	1	449.580	3.912	10	10		IHCEMN
CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2C(=O)c2ccc(F)cc2F)cc1	ZINC000040395747	563100861	/nfs/dbraw/zinc/10/08/61/563100861.db2.gz	YXPIMUNGKKJYBC-UHFFFAOYSA-N	0	1	430.432	3.955	10	10		IHCEMN