smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)CCCNC=C1C(=O)NC(=O)NC1=O	ZINC000025561726	372803032	/nfs/dbraw/zinc/80/30/32/372803032.db2.gz	JZVZNWVUPJXJTM-UHFFFAOYSA-N	0	1	255.230	-1.221	50	10		CACAMN
O=C([C@@H](O)CO)[C@@H](O)[C@H](O)C1NNC(S)NN1	ZINC000239173748	373671219	/nfs/dbraw/zinc/67/12/19/373671219.db2.gz	OOOJWEASRKBWBV-KLVWXMOXSA-N	0	1	268.295	-4.765	50	10		CACAMN
O=C1CCCN1CCCNC=C1C(=O)NC(=O)NC1=O	ZINC000005826326	170144627	/nfs/dbraw/zinc/14/46/27/170144627.db2.gz	DPQHINNIQKTQDK-UHFFFAOYSA-N	0	1	280.284	-1.162	50	10		CACAMN
O=C([C@@H](O)CO)[C@@H](O)[C@@H](O)C1NNC(S)NN1	ZINC000016102385	372793127	/nfs/dbraw/zinc/79/31/27/372793127.db2.gz	OOOJWEASRKBWBV-QMKXCQHVSA-N	0	1	268.295	-4.765	50	10		CACAMN
O=C1[N-]C(=S)NC(=O)C1=CNCCN1CC[NH2+]CC1	ZINC000100783090	372814905	/nfs/dbraw/zinc/81/49/05/372814905.db2.gz	PVVOSDFVRPCCTH-UHFFFAOYSA-N	0	1	283.357	-2.104	50	10		CACAMN
CN1C(=O)C(=CNCCN2CC[NH2+]CC2)C(=O)[N-]C1=S	ZINC000019948918	372796639	/nfs/dbraw/zinc/79/66/39/372796639.db2.gz	YIKZUTVYZRTQAY-CMDGGOBGSA-N	0	1	297.384	-1.762	50	10		CACAMN
CN1C(=O)C(=CNCC[NH+](C)C)C(=O)[N-]C1=S	ZINC000019994883	372800486	/nfs/dbraw/zinc/80/04/86/372800486.db2.gz	LYVYQYUAYHGLNA-VOTSOKGWSA-N	0	1	256.331	-1.105	50	10		CACAMN
C[NH+](C)CCCNC=C1C(=O)[N-]C(=S)NC1=O	ZINC000100792911	372814199	/nfs/dbraw/zinc/81/41/99/372814199.db2.gz	CQONRRYYBQFBDK-UHFFFAOYSA-N	0	1	256.331	-1.058	50	10		CACAMN
CN1C(=O)NC(=O)C(=CNCCN2CCOCC2)C1=O	ZINC000020025790	373645231	/nfs/dbraw/zinc/64/52/31/373645231.db2.gz	VCFVGSYLGHMRPR-CMDGGOBGSA-N	0	1	282.300	-1.500	50	10		CACAMN
O=C([C@H](O)[C@@H](O)C1NNC(S)NN1)[C@@H](O)CO	ZINC000239173749	373671660	/nfs/dbraw/zinc/67/16/60/373671660.db2.gz	OOOJWEASRKBWBV-NEEWWZBLSA-N	0	1	268.295	-4.765	50	10		CACAMN
O=C([C@H](O)[C@H](O)C1NNC(S)NN1)[C@@H](O)CO	ZINC000004018032	374144494	/nfs/dbraw/zinc/14/44/94/374144494.db2.gz	OOOJWEASRKBWBV-FCAWWPLPSA-N	0	1	268.295	-4.765	50	10		CACAMN
O=C1NC(=O)C(=CNC(CO)(CO)CO)C(=O)N1	ZINC000005454319	170100592	/nfs/dbraw/zinc/10/05/92/170100592.db2.gz	HVOABCLOABXXCQ-UHFFFAOYSA-N	0	1	259.218	-3.458	50	10		CACAMN
CN1CCN(NC=C2C(=O)N(C)C(=O)N(C)C2=O)CC1	ZINC000055450376	277109947	/nfs/dbraw/zinc/10/99/47/277109947.db2.gz	CGCWCHZXSHGRTI-UHFFFAOYSA-N	0	1	281.316	-1.327	50	10		CACAMN