smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN1CCN(Cc2cn3c(n2)CN(c2cc(C#N)c4cc([N+](=O)[O-])ccc4n2)CC3)CC1	ZINC001164794367	721521828	/nfs/dbraw/zinc/52/18/28/721521828.db2.gz	CIRSSHKYFMMGRM-UHFFFAOYSA-N	0	1	432.488	1.979	20	30		IDEDMN
CC(C)(C)OC(=O)[C@H](C#N)c1nccnc1N1CCN2C[C@H](Oc3cncnc3)C[C@H]2C1	ZINC001164743423	720792287	/nfs/dbraw/zinc/79/22/87/720792287.db2.gz	FYSKNDRHIYFHSZ-LZLYRXPVSA-N	0	1	437.504	1.557	20	30		IDEDMN
CN1CCN(c2ccc(N3CCC[C@]4(C3)COCCN(c3cccc(C#N)n3)C4)nn2)CC1	ZINC001164664080	719358068	/nfs/dbraw/zinc/35/80/68/719358068.db2.gz	KDSFMZBKTFRRTB-XMMPIXPASA-N	0	1	448.575	1.618	20	30		IDEDMN
CCOC(=O)c1cc(C#N)c(Cl)nc1N1CCn2cc(CN3CCN(C)CC3)nc2C1	ZINC001164794005	721511433	/nfs/dbraw/zinc/51/14/33/721511433.db2.gz	ASRBYWRDQLHMNQ-UHFFFAOYSA-N	0	1	443.939	1.747	20	30		IDEDMN
CN(C)C(=O)CN1CCC2(CCCN2c2nccnc2[C@@H](C#N)C(=O)OC(C)(C)C)CC1	ZINC001165012123	721747641	/nfs/dbraw/zinc/74/76/41/721747641.db2.gz	AANSRIFCQIQGJN-QGZVFWFLSA-N	0	1	442.564	1.948	20	30		IDEDMN
CC(C)(C)OC(=O)[C@H](C#N)c1nccnc1N1CCN2C[C@@H](Oc3cncnc3)C[C@@H]2C1	ZINC001164743425	720791107	/nfs/dbraw/zinc/79/11/07/720791107.db2.gz	FYSKNDRHIYFHSZ-SOLBZPMBSA-N	0	1	437.504	1.557	20	30		IDEDMN
CSc1nc(Cl)c(C=NO)c(N2CCn3cc(CN4CCN(C)CC4)nc3C2)n1	ZINC001164794735	721510883	/nfs/dbraw/zinc/51/08/83/721510883.db2.gz	UZXIYLKMGAZQDC-UHFFFAOYSA-N	0	1	436.973	1.624	20	30		IDEDMN
CN1CCN(c2ccc(N3CCC[C@@]4(C3)COCCN(c3cccc(C#N)n3)C4)nn2)CC1	ZINC001164664075	719358248	/nfs/dbraw/zinc/35/82/48/719358248.db2.gz	KDSFMZBKTFRRTB-DEOSSOPVSA-N	0	1	448.575	1.618	20	30		IDEDMN
CC(C)(C)OC(=O)[C@H](C#N)c1nccnc1N1CCN2C[C@H](Oc3cncnc3)C[C@@H]2C1	ZINC001164743411	720792183	/nfs/dbraw/zinc/79/21/83/720792183.db2.gz	FYSKNDRHIYFHSZ-JFIYKMOQSA-N	0	1	437.504	1.557	20	30		IDEDMN
CCOC(=O)c1cc(C)nc(N2CCC3(CC2)COCCN(CC(=O)N(C)C)C3)c1C#N	ZINC001164868588	721268322	/nfs/dbraw/zinc/26/83/22/721268322.db2.gz	DFJOOSXQNDSTNS-UHFFFAOYSA-N	0	1	443.548	1.445	20	30		IDEDMN
CN(C)C(=O)CN1CCOCC2(CCN(c3ccc(C4(C#N)CCOCC4)cn3)CC2)C1	ZINC001164873494	721281704	/nfs/dbraw/zinc/28/17/04/721281704.db2.gz	NCXGOXOYRHCGCU-UHFFFAOYSA-N	0	1	441.576	1.660	20	30		IDEDMN
CN(C)C(=O)CN1CCC2(CCCN2c2nccnc2[C@H](C#N)C(=O)OC(C)(C)C)CC1	ZINC001165012118	721747830	/nfs/dbraw/zinc/74/78/30/721747830.db2.gz	AANSRIFCQIQGJN-KRWDZBQOSA-N	0	1	442.564	1.948	20	30		IDEDMN
CSc1nc(Cl)c(C=N[O-])c(N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)n1	ZINC001164751546	720949877	/nfs/dbraw/zinc/94/98/77/720949877.db2.gz	TVOHRDUOOWBDIE-UHFFFAOYSA-N	0	1	439.929	1.502	20	30		IDEDMN
CC(C)(C)OC(=O)[C@H](C#N)c1nccnc1N1CCN2C[C@@H](Oc3cncnc3)C[C@H]2C1	ZINC001164743427	720792788	/nfs/dbraw/zinc/79/27/88/720792788.db2.gz	FYSKNDRHIYFHSZ-XYJFISCASA-N	0	1	437.504	1.557	20	30		IDEDMN
CN1CCN(Cc2cn3c(n2)CN(c2nc(C#N)ccc2NC(=O)C(C)(C)C)CC3)CC1	ZINC001164796812	721516865	/nfs/dbraw/zinc/51/68/65/721516865.db2.gz	CTDRRRVPPSVPQB-UHFFFAOYSA-N	0	1	436.564	1.902	20	30		IDEDMN
CSc1nc(Cl)c(C#N)c(N2CCC3(CC2)COCCN(CC(=O)N(C)C)C3)n1	ZINC001164876069	721260884	/nfs/dbraw/zinc/26/08/84/721260884.db2.gz	NLPDMCWKQBDIII-UHFFFAOYSA-N	0	1	438.985	1.731	20	30		IDEDMN