smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccsc1[C@H]1c2c(nc(N3CCC(C)CC3)[nH]c2=O)NC(=O)C1C#N	ZINC000102402379	525899100	/nfs/dbraw/zinc/89/91/00/525899100.db2.gz	PMNLXZWHNWMYHU-QWHCGFSZSA-N	0	2	383.477	2.600	10	30		GFEELN
N#Cc1ccc(N2CCN(C(=O)c3ccc(Cl)c(Cl)c3O)CC2)nc1	ZINC000171612460	551659099	/nfs/dbraw/zinc/65/90/99/551659099.db2.gz	MQWWUEOKEWRBJS-UHFFFAOYSA-N	0	2	377.231	2.928	10	30		GFEELN
COc1cc(C=N[N-]c2nc3nc4ccccc4c-3[nH][nH+]2)cc([N+](=O)[O-])c1O	ZINC000020228196	570248988	/nfs/dbraw/zinc/24/89/88/570248988.db2.gz	WUYOASMXPIAVKX-QGMBQPNBSA-N	0	2	379.336	2.575	10	30		GFEELN
Cc1ccsc1[C@@H]1c2c(nc(N3CCC(C)CC3)[nH]c2=O)NC(=O)C1C#N	ZINC000102402377	525884758	/nfs/dbraw/zinc/88/47/58/525884758.db2.gz	PMNLXZWHNWMYHU-STQMWFEESA-N	0	2	383.477	2.600	10	30		GFEELN
O=C(CC1S/C(=N/N=C\c2ccco2)NC1=O)Nc1ccc(Cl)cc1	ZINC000038199326	527143450	/nfs/dbraw/zinc/14/34/50/527143450.db2.gz	QRXWXJOXBPRDFS-OCTXWABXSA-N	0	2	376.825	2.883	10	30		GFEELN
O=C(C[C@@H]1S/C(=N/N=C\c2ccco2)NC1=O)Nc1ccc(Cl)cc1	ZINC000038199326	527143459	/nfs/dbraw/zinc/14/34/59/527143459.db2.gz	QRXWXJOXBPRDFS-OCTXWABXSA-N	0	2	376.825	2.883	10	30		GFEELN
Cc1ccsc1[C@@H]1c2c(nc(N3CCC(C)CC3)[nH]c2=O)NC(=O)C1C#N	ZINC000102402374	525884744	/nfs/dbraw/zinc/88/47/44/525884744.db2.gz	PMNLXZWHNWMYHU-OLZOCXBDSA-N	0	2	383.477	2.600	10	30		GFEELN
O=C(CC1S/C(=N/N=C\c2ccco2)NC1=O)Nc1ccc(Cl)cc1	ZINC000038190420	527184668	/nfs/dbraw/zinc/18/46/68/527184668.db2.gz	QRXWXJOXBPRDFS-ODGFMFMFSA-N	0	2	376.825	2.883	10	30		GFEELN
O=C(C[C@H]1S/C(=N/N=C\c2ccco2)NC1=O)Nc1ccc(Cl)cc1	ZINC000038190420	527184680	/nfs/dbraw/zinc/18/46/80/527184680.db2.gz	QRXWXJOXBPRDFS-ODGFMFMFSA-N	0	2	376.825	2.883	10	30		GFEELN
Cc1ccsc1[C@H]1c2c(nc(N3CCC(C)CC3)[nH]c2=O)NC(=O)C1C#N	ZINC000102402375	525899111	/nfs/dbraw/zinc/89/91/11/525899111.db2.gz	PMNLXZWHNWMYHU-CHWSQXEVSA-N	0	2	383.477	2.600	10	30		GFEELN
CCNC(=S)N=NCc1cc(Br)c(O)c(Br)c1O	ZINC000097475181	521508724	/nfs/dbraw/zinc/50/87/24/521508724.db2.gz	VZEJIWBPZQGRAT-LNKIKWGQSA-N	0	2	397.092	2.852	10	30		GFEELN
N#Cc1cccnc1N1CCN(C(=O)c2ccc(Cl)c(Cl)c2O)CC1	ZINC000106455661	551200071	/nfs/dbraw/zinc/20/00/71/551200071.db2.gz	BBINUMUZCCDFTJ-UHFFFAOYSA-N	0	2	377.231	2.928	10	30		GFEELN