smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COCCN1CCN(C(=O)NC[C@@H]2CN(C)CCN2C)C[C@@H]1C	ZINC000329678579	545743677	/nfs/dbraw/zinc/74/36/77/545743677.db2.gz	XBESSJBODMHYMB-LSDHHAIUSA-N	0	3	327.473	-0.201	10	30		EBEEHN
CN1CCN(C)[C@H](CNC(=O)N2CCO[C@@H](Cn3cccn3)C2)C1	ZINC000329421396	545738477	/nfs/dbraw/zinc/73/84/77/545738477.db2.gz	FLTFVOSIZVAFKI-HUUCEWRRSA-N	0	3	336.440	-0.256	10	30		EBEEHN
CN1CCN(C)[C@H](C[NH+]=C([O-])N2CCO[C@@H](Cn3cccn3)C2)C1	ZINC000329421396	545738480	/nfs/dbraw/zinc/73/84/80/545738480.db2.gz	FLTFVOSIZVAFKI-HUUCEWRRSA-N	0	3	336.440	-0.256	10	30		EBEEHN
C[C@@H]1CN(C(=O)Cn2cnc(C#N)n2)CCN1C1CCN(C)CC1	ZINC000329173846	155211285	/nfs/dbraw/zinc/21/12/85/155211285.db2.gz	ASVKOODDSPPFEF-CYBMUJFWSA-N	0	3	331.424	-0.223	10	30		EBEEHN
C[C@H](O)CN1CCN(C(=O)N[C@H]2COC[C@H]2n2ccnn2)C[C@@H]1C	ZINC000329390792	381595382	/nfs/dbraw/zinc/59/53/82/381595382.db2.gz	SKOGFMRYDDVJQS-XDQVBPFNSA-N	0	3	338.412	-0.481	10	30		EBEEHN
CO[C@@H]1COC[C@H]1n1cc(CNC(=O)N2CCCN(C)CC2)nn1	ZINC000329695275	381653773	/nfs/dbraw/zinc/65/37/73/381653773.db2.gz	BHFRNDXUESZZHU-ZIAGYGMSSA-N	0	3	338.412	-0.084	10	30		EBEEHN
C[C@@H]1[C@H](N2CCOCC2)CCN1C(=O)NCCn1cnc(C#N)n1	ZINC000329737451	267109660	/nfs/dbraw/zinc/10/96/60/267109660.db2.gz	TVPAASVEECUWLH-CHWSQXEVSA-N	0	3	333.396	-0.141	10	30		EBEEHN
COC1=C(C)C(=O)c2c(c(COC(N)=O)c3n2C[C@@H](N)[C@H]3O)C1=O	ZINC000003623862	210068316	/nfs/dbraw/zinc/06/83/16/210068316.db2.gz	YLUFIGVFCDSUBH-JMCQJSRRSA-N	0	3	335.316	-0.243	10	30		EBEEHN
O=C(CN1CCN2CCC[C@@H]2C1)NC(=O)N[C@H]1CCS(=O)(=O)C1	ZINC000329151160	381585505	/nfs/dbraw/zinc/58/55/05/381585505.db2.gz	SCYVAQFNLUSUTM-NWDGAFQWSA-N	0	3	344.437	-0.176	10	30		EBEEHN
COC1=C(C)C(=O)c2c(c(COC(N)=O)c3n2C[C@H](N)[C@@H]3O)C1=O	ZINC000003623867	210068872	/nfs/dbraw/zinc/06/88/72/210068872.db2.gz	YLUFIGVFCDSUBH-MADCSZMMSA-N	0	3	335.316	-0.243	10	30		EBEEHN
CN1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)[C@H](C#N)C1	ZINC000912534967	650206860	/nfs/dbraw/zinc/20/68/60/650206860.db2.gz	ILQSTVZGQALRLP-KFWWJZLASA-N	0	3	333.436	-0.262	10	30		EBEEHN
CN1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)[C@@H](C#N)C1	ZINC000912534971	650207181	/nfs/dbraw/zinc/20/71/81/650207181.db2.gz	ILQSTVZGQALRLP-ZNMIVQPWSA-N	0	3	333.436	-0.262	10	30		EBEEHN
CO[C@H]1O[C@H](COS(=O)(=O)c2ccc(C)cc2)[C@@H](O)[C@@H](O)[C@@H]1N	ZINC000006214629	286118569	/nfs/dbraw/zinc/11/85/69/286118569.db2.gz	UFYHHLLVNLILLV-BJJPWKGXSA-N	0	3	347.389	-0.879	10	30		EBEEHN
C[C@H]1CN(C(=O)Cn2cnc(C#N)n2)CCN1C1CCN(C)CC1	ZINC000329173847	155210341	/nfs/dbraw/zinc/21/03/41/155210341.db2.gz	ASVKOODDSPPFEF-ZDUSSCGKSA-N	0	3	331.424	-0.223	10	30		EBEEHN
C=CCNC(=O)CNC(=O)[C@H]1CC(=O)N(C[C@H]2CCCN2CC)C1	ZINC000245564982	381390461	/nfs/dbraw/zinc/39/04/61/381390461.db2.gz	PANUKRNEJCOZAZ-UONOGXRCSA-N	0	3	336.436	-0.262	10	30		EBEEHN
CN1CCN(C)[C@H](CNC(=O)N2CCO[C@H](Cn3cccn3)C2)C1	ZINC000329421395	545738579	/nfs/dbraw/zinc/73/85/79/545738579.db2.gz	FLTFVOSIZVAFKI-CABCVRRESA-N	0	3	336.440	-0.256	10	30		EBEEHN
CN1CCN(C)[C@H](C[NH+]=C([O-])N2CCO[C@H](Cn3cccn3)C2)C1	ZINC000329421395	545738582	/nfs/dbraw/zinc/73/85/82/545738582.db2.gz	FLTFVOSIZVAFKI-CABCVRRESA-N	0	3	336.440	-0.256	10	30		EBEEHN
COC1=C(C)C(=O)c2c(c(COC(N)=O)c3n2C[C@@H](N)[C@@H]3O)C1=O	ZINC000003623864	210068421	/nfs/dbraw/zinc/06/84/21/210068421.db2.gz	YLUFIGVFCDSUBH-KRTXAFLBSA-N	0	3	335.316	-0.243	10	30		EBEEHN
O=C(CN1CCN2CCC[C@H]2C1)NC(=O)N[C@H]1CCS(=O)(=O)C1	ZINC000329151163	381585728	/nfs/dbraw/zinc/58/57/28/381585728.db2.gz	SCYVAQFNLUSUTM-RYUDHWBXSA-N	0	3	344.437	-0.176	10	30		EBEEHN
C[C@H](O)CN1CCN(C(=O)N[C@H]2COC[C@H]2n2ccnn2)C[C@H]1C	ZINC000329390793	381595556	/nfs/dbraw/zinc/59/55/56/381595556.db2.gz	SKOGFMRYDDVJQS-ZOBORPQBSA-N	0	3	338.412	-0.481	10	30		EBEEHN
C[C@H]1[C@@H](NC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)CCS1(=O)=O	ZINC000329255881	545736264	/nfs/dbraw/zinc/73/62/64/545736264.db2.gz	XIAIONVIVPDIBA-SRVKXCTJSA-N	0	3	331.438	-0.071	10	30		EBEEHN
C[C@H]1[C@@H](NC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)CCS1(=O)=O	ZINC000329255884	545736041	/nfs/dbraw/zinc/73/60/41/545736041.db2.gz	XIAIONVIVPDIBA-TUAOUCFPSA-N	0	3	331.438	-0.071	10	30		EBEEHN
COCCN1CCN(C(=O)NC[C@@H]2CN(C)CCN2C)C[C@H]1C	ZINC000329678577	545743821	/nfs/dbraw/zinc/74/38/21/545743821.db2.gz	XBESSJBODMHYMB-HUUCEWRRSA-N	0	3	327.473	-0.201	10	30		EBEEHN
C=CCNC(=O)CNC(=O)[C@H]1CC(=O)N(C[C@@H]2CCCN2CC)C1	ZINC000245564980	381388142	/nfs/dbraw/zinc/38/81/42/381388142.db2.gz	PANUKRNEJCOZAZ-KBPBESRZSA-N	0	3	336.436	-0.262	10	30		EBEEHN