smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCN1C=C(c2ccc3ccccc3n2)C(C#N)c2ccccc21	ZINC000003097979	135659454	/nfs/dbraw/zinc/65/94/54/135659454.db2.gz	NMVJTXYGYRBJCK-LJQANCHMSA-N	0	3	339.442	5.503	10	30		EKEEHN
CC(C)N(CCO/N=C1\CCCCC\C1=C/c1ccccc1)C(C)C	ZINC000004214343	519649871	/nfs/dbraw/zinc/64/98/71/519649871.db2.gz	VIHOHTOSUXOBSD-SZVLODPRSA-N	0	3	342.527	5.526	10	30	in-man	EKEEHN
CCN(CC)c1ccc(/C=N\N(c2ccccc2)c2ccccc2)cc1	ZINC000031333567	520884452	/nfs/dbraw/zinc/88/44/52/520884452.db2.gz	YGBCLRRWZQSURU-CLCOLTQESA-N	0	3	343.474	5.705	10	30		EKEEHN
C/C(=N\C[C@]1(C)C[C@H](/N=C(\C)C(C)(C)C)CC(C)(C)C1)C(C)(C)C	ZINC000038656224	518457795	/nfs/dbraw/zinc/45/77/95/518457795.db2.gz	RPBFAJAXXBIRDR-SSSRKXFKSA-N	0	3	334.592	6.585	10	30		EKEEHN
C/C(=N\C[C@@]1(C)C[C@H](/N=C(\C)C(C)(C)C)CC(C)(C)C1)C(C)(C)C	ZINC000038656226	518457467	/nfs/dbraw/zinc/45/74/67/518457467.db2.gz	RPBFAJAXXBIRDR-DZVNMASMSA-N	0	3	334.592	6.585	10	30		EKEEHN
C/C(=N\C[C@]1(C)C[C@@H](/N=C(\C)C(C)(C)C)CC(C)(C)C1)C(C)(C)C	ZINC000038656229	518457500	/nfs/dbraw/zinc/45/75/00/518457500.db2.gz	RPBFAJAXXBIRDR-DYJSBLEESA-N	0	3	334.592	6.585	10	30		EKEEHN
C/C(=N\C[C@@]1(C)C[C@@H](/N=C(\C)C(C)(C)C)CC(C)(C)C1)C(C)(C)C	ZINC000038656232	518457837	/nfs/dbraw/zinc/45/78/37/518457837.db2.gz	RPBFAJAXXBIRDR-OKISXRFESA-N	0	3	334.592	6.585	10	30		EKEEHN
CCCCCCC[C@@H](NC)c1ccc(OC)cc1Br	ZINC000102941236	219242461	/nfs/dbraw/zinc/24/24/61/219242461.db2.gz	QHAOPIYESURPLY-MRXNPFEDSA-N	0	3	328.294	5.079	10	30		EKEEHN
CCCCCCCCCCCCCCCCCC(=O)[N-]C(N)=[NH2+]	ZINC000103600373	219315860	/nfs/dbraw/zinc/31/58/60/219315860.db2.gz	WFUQYEXDJIJMAA-UHFFFAOYSA-N	0	3	325.541	5.258	10	30		EKEEHN
C/C(CC(C)C)=N\[C@@H]1CC(C)(C)C[C@](C)(C/N=C(/C)CC(C)C)C1	ZINC000103843852	219325994	/nfs/dbraw/zinc/32/59/94/219325994.db2.gz	OWNXVBPEGAEACG-HJIVVVAQSA-N	0	3	334.592	6.585	10	30		EKEEHN
C/C(CC(C)C)=N\C[C@]1(C)C[C@H](/N=C(\C)CC(C)C)CC(C)(C)C1	ZINC000103843857	219326298	/nfs/dbraw/zinc/32/62/98/219326298.db2.gz	OWNXVBPEGAEACG-XROBVTJYSA-N	0	3	334.592	6.585	10	30		EKEEHN
C/C(CC(C)C)=N\C[C@]1(C)C[C@H](/N=C(/C)CC(C)C)CC(C)(C)C1	ZINC000103843866	219325759	/nfs/dbraw/zinc/32/57/59/219325759.db2.gz	OWNXVBPEGAEACG-DXNRNQADSA-N	0	3	334.592	6.585	10	30		EKEEHN