smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN1CCC[N@@H+](C)CCNC(=O)C(CCCC#N)C(=O)NCC1	ZINC000068604517	374675332	/nfs/dbraw/zinc/67/53/32/374675332.db2.gz	TVJAHHPFWLXNHL-UHFFFAOYSA-N	1	1	323.441	-0.204	40	30		DBEBMO
C=CCNC(=O)N[C@@H]1[C@H]2CO[C@H](O2)[C@H](n2cc[nH+]c2C)[C@H]1O	ZINC000952844668	809006274	/nfs/dbraw/zinc/00/62/74/809006274.db2.gz	FPRAGSPXHRGUCD-NJMOYASZSA-N	1	1	308.338	-0.298	40	30	biogenic,in-vitro	DBEBMO
CN1CCCN(CC#N)CCN(CC(N)=O)CCC[N@@H+](C)CC1	ZINC000068604851	374674638	/nfs/dbraw/zinc/67/46/38/374674638.db2.gz	VNNJFKHPLZTCKY-UHFFFAOYSA-N	1	1	324.473	-0.743	40	30		DBEBMO
CN1CCCN(CC(N)=O)CCN(CC#N)CCC[N@H+](C)CC1	ZINC000068604851	374674641	/nfs/dbraw/zinc/67/46/41/374674641.db2.gz	VNNJFKHPLZTCKY-UHFFFAOYSA-N	1	1	324.473	-0.743	40	30		DBEBMO
CN1CCCN(CC(N)=O)CCN(CC#N)CCC[N@@H+](C)CC1	ZINC000068604851	374674646	/nfs/dbraw/zinc/67/46/46/374674646.db2.gz	VNNJFKHPLZTCKY-UHFFFAOYSA-N	1	1	324.473	-0.743	40	30		DBEBMO
C#CCNC(=O)[C@H]1O[C@H](CC[N@H+](C)CCN(C)C)CC[C@@H]1O	ZINC000030879203	257215292	/nfs/dbraw/zinc/21/52/92/257215292.db2.gz	ZATALJFGNVZFPI-KKUMJFAQSA-N	1	1	311.426	-0.472	40	30	biogenic,in-vitro	DBEBMO
C#CCNC(=O)[C@H]1O[C@H](CCN(C)CC[NH+](C)C)CC[C@@H]1O	ZINC000030879203	257215293	/nfs/dbraw/zinc/21/52/93/257215293.db2.gz	ZATALJFGNVZFPI-KKUMJFAQSA-N	1	1	311.426	-0.472	40	30	biogenic,in-vitro	DBEBMO
NC(=N[N+](=O)[O-])NCCC[C@@H]([NH3+])C(=O)OCc1ccccc1	ZINC000019594576	526804563	/nfs/dbraw/zinc/80/45/63/526804563.db2.gz	FAJFGLZHUIUNSS-LLVKDONJSA-N	1	1	309.326	-0.067	40	30		DBEBMO