smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[NH+](CC)CCN1CC[NH+]=c2c3cc(OC)ccc3n3cnc4ccc1c2c43	ZINC000031852777	204906624	/nfs/dbraw/zinc/90/66/24/204906624.db2.gz	POHDDFXTASTRKP-UHFFFAOYSA-N	2	0	389.503	3.150	1	5		GGBFRP
CC[N+](C)(C)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O	ZINC000029206604	717116311	/nfs/dbraw/zinc/11/63/11/717116311.db2.gz	PZMNKWWUZKLTQN-UHFFFAOYSA-N	2	0	389.584	3.406	1	5		GGBFRP
C(CCCCN1CC[N+]2(CCCC2)CC1)CCCN1CC[N+]2(CCCC2)CC1	ZINC000029416549	717119496	/nfs/dbraw/zinc/11/94/96/717119496.db2.gz	PTXWZAQFMZTZCP-UHFFFAOYSA-N	2	0	392.676	3.179	1	5		GGBFRP
CN(C)CC[NH2+]Cc1c2ccccc2c(C[NH2+]CCN(C)C)c2ccccc21	ZINC000019365206	207117870	/nfs/dbraw/zinc/11/78/70/207117870.db2.gz	NQNIIYOBGWAPDR-UHFFFAOYSA-N	2	0	378.564	3.295	1	5	in-vitro	GGBFRP
COc1cc2c(cc1OC)C[N@@+](C)(CCCCc1cccc(OC)[n+]1C)CC2	ZINC000299844568	717181196	/nfs/dbraw/zinc/18/11/96/717181196.db2.gz	GNJKHYALKPAMDG-VWLOTQADSA-N	2	0	386.536	3.063	1	5		GGBFRP
C[N+](C)(C)c1ccc(Nc2nc(N)nc(Nc3ccc([N+](C)(C)C)cc3)n2)cc1	ZINC000103271746	717146524	/nfs/dbraw/zinc/14/65/24/717146524.db2.gz	HOMZRSDZANOMQV-UHFFFAOYSA-N	2	0	394.527	3.334	1	5		GGBFRP
COc1ccc2[nH]c3nc4ccnc(NCCC[NH2+]CCC[NH3+])c4c(C)c3c2c1	ZINC000028878603	207350035	/nfs/dbraw/zinc/35/00/35/207350035.db2.gz	SUCKSKAMGZCBIV-UHFFFAOYSA-N	2	0	392.507	3.322	1	5		GGBFRP
CC[N+](C)(C)CCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O	ZINC000026981084	717113961	/nfs/dbraw/zinc/11/39/61/717113961.db2.gz	UEBYDCSHPLICLT-UHFFFAOYSA-N	2	0	375.557	3.016	1	5		GGBFRP
C[N+](C)(C)c1cc(O)cc(OCCCOc2cc(O)cc([N+](C)(C)C)c2)c1	ZINC000040918477	717127966	/nfs/dbraw/zinc/12/79/66/717127966.db2.gz	KYKAASBPZQEFMK-UHFFFAOYSA-P	2	0	376.497	3.339	1	5		GGBFRP
COc1cc2c(cc1OC)C[N@+](C)(CCCCc1cccc(OC)[n+]1C)CC2	ZINC000299844567	717181369	/nfs/dbraw/zinc/18/13/69/717181369.db2.gz	GNJKHYALKPAMDG-RUZDIDTESA-N	2	0	386.536	3.063	1	5		GGBFRP