smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[NH+](CC)CC(C)(C)C[N@@H+]1CCC[C@H]1c1cnc(Nc2ccc(C#N)nc2)cn1	ZINC000585294699	571307408	/nfs/dbraw/zinc/30/74/08/571307408.db2.gz	UFDFCWKDDNWEOM-NRFANRHFSA-N	2	2	407.566	3.992	40	30		HGEBLP
CC[NH+](CC)CC(C)(C)C[N@H+]1CCC[C@H]1c1cnc(Nc2ccc(C#N)nc2)cn1	ZINC000585294699	571307409	/nfs/dbraw/zinc/30/74/09/571307409.db2.gz	UFDFCWKDDNWEOM-NRFANRHFSA-N	2	2	407.566	3.992	40	30		HGEBLP
CC#CCn1cc2c3c1cccc3[C@H](CC(C)C)[NH2+][C@H](C(=O)N1CC[NH+](C)CC1)C2	ZINC000049171729	519346153	/nfs/dbraw/zinc/34/61/53/519346153.db2.gz	DWECYCKNQYQFHV-VXKWHMMOSA-N	2	2	406.574	3.040	40	30	biogenic,in-vitro	HGEBLP
Oc1ccccc1/C=N/CCC[NH+]1CCN(CCC/[NH+]=C/c2ccccc2O)CC1	ZINC000104067835	559157591	/nfs/dbraw/zinc/15/75/91/559157591.db2.gz	AJDOIPXSGKUXJL-FQHZWJPGSA-N	2	2	408.546	3.034	40	30		HGEBLP
CC[NH+](CC)CC(C)(C)C[N@@H+]1CCC[C@@H]1c1cnc(Nc2ccc(C#N)nc2)cn1	ZINC000585294700	571307435	/nfs/dbraw/zinc/30/74/35/571307435.db2.gz	UFDFCWKDDNWEOM-OAQYLSRUSA-N	2	2	407.566	3.992	40	30		HGEBLP
CC[NH+](CC)CC(C)(C)C[N@H+]1CCC[C@@H]1c1cnc(Nc2ccc(C#N)nc2)cn1	ZINC000585294700	571307436	/nfs/dbraw/zinc/30/74/36/571307436.db2.gz	UFDFCWKDDNWEOM-OAQYLSRUSA-N	2	2	407.566	3.992	40	30		HGEBLP
Oc1ccccc1/C=N\CCC[NH+]1CCN(CCC/[NH+]=C\c2ccccc2O)CC1	ZINC000104067829	559157615	/nfs/dbraw/zinc/15/76/15/559157615.db2.gz	AJDOIPXSGKUXJL-DQIQZUARSA-N	2	2	408.546	3.034	40	30		HGEBLP
C[N@H+](Cc1cc(CC2([NH2+]Cc3ccc(C#N)cc3)COC2)no1)Cc1ccccc1	ZINC000067898102	291235418	/nfs/dbraw/zinc/23/54/18/291235418.db2.gz	GKWSKPJFWJKLGP-UHFFFAOYSA-N	2	2	402.498	3.280	40	30	biogenic,in-vitro	HGEBLP
C[N@@H+](Cc1cc(CC2([NH2+]Cc3ccc(C#N)cc3)COC2)no1)Cc1ccccc1	ZINC000067898102	291235421	/nfs/dbraw/zinc/23/54/21/291235421.db2.gz	GKWSKPJFWJKLGP-UHFFFAOYSA-N	2	2	402.498	3.280	40	30	biogenic,in-vitro	HGEBLP
C=CCOC(=O)[C@H](CCCC([NH3+])[NH3+])NC(=O)OCC1c2ccccc2-c2ccccc21	ZINC000299803684	558842794	/nfs/dbraw/zinc/84/27/94/558842794.db2.gz	RBCBFHLEUVQURF-NRFANRHFSA-N	2	2	423.513	3.037	40	30		HGEBLP
[NH2+]=C(NCCc1ccc(I)cc1)SCCCc1c[nH]c[nH+]1	ZINC000014979644	558690665	/nfs/dbraw/zinc/69/06/65/558690665.db2.gz	UBHYDQAARZKHEZ-UHFFFAOYSA-N	2	2	414.316	3.238	40	30	in-vivo	HGEBLP
[NH2+]=C(NCCc1ccc(I)cc1)SCCCc1c[nH+]c[nH]1	ZINC000014979644	558690667	/nfs/dbraw/zinc/69/06/67/558690667.db2.gz	UBHYDQAARZKHEZ-UHFFFAOYSA-N	2	2	414.316	3.238	40	30	in-vivo	HGEBLP
C=CCNC(=O)[C@@H]1Cc2cn(Cc3[nH+]ccn3C)c3cccc(c23)[C@H](CC(C)C)[NH2+]1	ZINC000049171747	518920921	/nfs/dbraw/zinc/92/09/21/518920921.db2.gz	SZAWQSAXSLIPIG-PMACEKPBSA-N	2	2	405.546	3.327	40	30	biogenic,in-vitro	HGEBLP