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)Cn1cc(NC2=[NH+]CCCC2)cn1	ZINC000217806058	188355691	/nfs/dbraw/zinc/35/56/91/188355691.db2.gz	WYAPRYHKCDFPEC-UHFFFAOYSA-N	1	1	220.320	2.533	40	70		BFIBMO
c1nn(CC2CCCC2)cc1NC1=[NH+]CCC1	ZINC000217804767	388381599	/nfs/dbraw/zinc/38/15/99/388381599.db2.gz	VLDVTHSMLSRQLM-UHFFFAOYSA-N	1	1	232.331	2.678	40	70		BFIBMO
CCCn1cc(NC2=[NH+]CCCCC2)cn1	ZINC000217812833	388381588	/nfs/dbraw/zinc/38/15/88/388381588.db2.gz	GODQHOVAMJPQLH-UHFFFAOYSA-N	1	1	220.320	2.678	40	70		BFIBMO
CC(C)n1cc(NC2=[NH+]CCCCC2)cn1	ZINC000217812938	388381762	/nfs/dbraw/zinc/38/17/62/388381762.db2.gz	ZCKBRUMRTSQEFY-UHFFFAOYSA-N	1	1	220.320	2.848	40	70		BFIBMO
CCCn1nc(C)c(NC2=[NH+]CCC2)c1C	ZINC000217804099	169624481	/nfs/dbraw/zinc/62/44/81/169624481.db2.gz	IHQDVVWYYKXKQU-UHFFFAOYSA-N	1	1	220.320	2.514	40	70		BFIBMO
CCCCn1cc(NC2=[NH+]CCCC2)cn1	ZINC000217806384	169036262	/nfs/dbraw/zinc/03/62/62/169036262.db2.gz	IYPCHGFFDVFBLI-UHFFFAOYSA-N	1	1	220.320	2.678	40	70		BFIBMO
CCCCn1nc(C)c(NC2=[NH+]CCC2)c1C	ZINC000217804567	169037927	/nfs/dbraw/zinc/03/79/27/169037927.db2.gz	PPKZJCPVZWFMNF-UHFFFAOYSA-N	1	1	234.347	2.904	40	70		BFIBMO
CC1(C)CC[C@@H](Cn2c[nH+]c3c2CCCC3)O1	ZINC000161458071	369094737	/nfs/dbraw/zinc/09/47/37/369094737.db2.gz	YIGUOJALZVRDAK-NSHDSACASA-N	1	1	234.343	2.720	40	70		BFIBMO
c1csc(Cn2cc(NC3=[NH+]CCC3)cn2)c1	ZINC000217805397	388381841	/nfs/dbraw/zinc/38/18/41/388381841.db2.gz	YCMQIZKMISGPIN-UHFFFAOYSA-N	1	1	246.339	2.597	40	70		BFIBMO
CC(C)CCn1cc(NC2=[NH+]CCCC2)cn1	ZINC000217806492	372014526	/nfs/dbraw/zinc/01/45/26/372014526.db2.gz	SIKYRQFJYXPSOV-UHFFFAOYSA-N	1	1	234.347	2.924	40	70		BFIBMO
Cc1nn(CC(C)C)c(C)c1NC1=[NH+]CCC1	ZINC000217804301	180386037	/nfs/dbraw/zinc/38/60/37/180386037.db2.gz	HIRPLKZDTPSQPY-UHFFFAOYSA-N	1	1	234.347	2.760	40	70		BFIBMO
CC1(C)CC[C@H](Cn2c[nH+]c3c2CCCC3)O1	ZINC000161457947	369095347	/nfs/dbraw/zinc/09/53/47/369095347.db2.gz	YIGUOJALZVRDAK-LLVKDONJSA-N	1	1	234.343	2.720	40	70		BFIBMO
c1nn(Cc2ccccc2)cc1NC1=[NH+]CCC1	ZINC000217804943	388382249	/nfs/dbraw/zinc/38/22/49/388382249.db2.gz	JDAQALGUZDLOEQ-UHFFFAOYSA-N	1	1	240.310	2.536	40	70		BFIBMO