smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOc1ccc2nc3cc(/N=N/c4ccc5c(N)c6cc(OCC)ccc6[nH+]c5c4)ccc3c(N)c2c1	ZINC000005573692	552505153	/nfs/dbraw/zinc/50/51/53/552505153.db2.gz	IBPOFAUCWPFRGJ-ULDVOPSXSA-N	1	3	502.578	7.467	40	10		KKCBHO
c1ccc2c(c1)nc1ccccc1c2Nc1ccc(Oc2ccc(Nc3c4ccccc4[nH+]c4ccccc43)cc2)cc1	ZINC000005615438	552505475	/nfs/dbraw/zinc/50/54/75/552505475.db2.gz	OGIFSVRLZMZUQH-UHFFFAOYSA-N	1	3	554.653	10.369	40	10	in-vivo	KKCBHO
COc1ccc2nc3cc(Cl)ccc3c(NCCNc3c4ccc(Cl)cc4[nH+]c4ccc(OC)cc43)c2c1	ZINC000004423517	552460038	/nfs/dbraw/zinc/46/00/38/552460038.db2.gz	HQVFBVTYAIBOSR-UHFFFAOYSA-N	1	3	543.454	7.937	40	10		KKCBHO
CC[NH+](CC)CCC[C@@H](Nc1c2ccc(Cl)cc2nc2ccc(OC)cc21)c1cccc2ccccc21	ZINC000004748385	552475159	/nfs/dbraw/zinc/47/51/59/552475159.db2.gz	IULLCNJZDQIVTC-GDLZYMKVSA-N	1	3	512.097	8.478	40	10		KKCBHO
c1ccc2c(c1)ccc1c2nc2ccccc2c1NCCCCNc1c2ccccc2[nH+]c2c3ccccc3ccc12	ZINC000005492942	552503290	/nfs/dbraw/zinc/50/32/90/552503290.db2.gz	IRUMZTDKJAXRMO-UHFFFAOYSA-N	1	3	542.686	9.700	40	10		KKCBHO
CN(C)Cc1c2ccccc2[nH]c1/N=N\c1cccc2c(/N=N\c3[nH]c4ccccc4c3C[NH+](C)C)cccc12	ZINC000104208655	571376969	/nfs/dbraw/zinc/37/69/69/571376969.db2.gz	OIVWJQSZCSLBEV-JXPYRENWSA-N	1	3	528.664	8.756	40	10		KKCBHO
COc1ccc2nc3cc(Cl)ccc3c(NCCCCNc3c4ccc(Cl)cc4[nH+]c4ccc(OC)cc43)c2c1	ZINC000005492941	552503259	/nfs/dbraw/zinc/50/32/59/552503259.db2.gz	DJMVWWBGNFTLCH-UHFFFAOYSA-N	1	3	571.508	8.718	40	10		KKCBHO
CC[NH+](CC)Cc1cc(Nc2c3c(nc4ccccc42)c2ccccc2n3C)cc(C[NH+](CC)CC)c1[O-]	ZINC000013000786	553431772	/nfs/dbraw/zinc/43/17/72/553431772.db2.gz	YQEMYONMNJQBMH-UHFFFAOYSA-N	1	3	509.698	7.013	40	10		KKCBHO
CN(C)Cc1c2ccccc2[nH]c1/N=N/c1cccc2c(/N=N/c3[nH]c4ccccc4c3C[NH+](C)C)cccc12	ZINC000005641768	552506038	/nfs/dbraw/zinc/50/60/38/552506038.db2.gz	OIVWJQSZCSLBEV-ATXIYDNESA-N	1	3	528.664	8.756	40	10		KKCBHO
CC[NH+](CC)CCC[C@H](Nc1c2ccc(Cl)cc2nc2ccc(OC)cc21)c1cccc2ccccc21	ZINC000016982940	553586138	/nfs/dbraw/zinc/58/61/38/553586138.db2.gz	IULLCNJZDQIVTC-LJAQVGFWSA-N	1	3	512.097	8.478	40	10		KKCBHO
CN(C)Cc1c2ccccc2[nH]c1/N=N/c1cccc2c(/N=N\c3[nH]c4ccccc4c3C[NH+](C)C)cccc12	ZINC000017120835	553588211	/nfs/dbraw/zinc/58/82/11/553588211.db2.gz	OIVWJQSZCSLBEV-LYERXDRPSA-N	1	3	528.664	8.756	40	10		KKCBHO
CN(C)Cc1c2ccccc2[nH]c1/N=N\c1cccc2c(/N=N/c3[nH]c4ccccc4c3C[NH+](C)C)cccc12	ZINC000017120835	553588213	/nfs/dbraw/zinc/58/82/13/553588213.db2.gz	OIVWJQSZCSLBEV-LYERXDRPSA-N	1	3	528.664	8.756	40	10		KKCBHO