smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(-c2c(C#N)c(N)nc3c2C[NH2+]CC3)cc1CN1CCCC1	ZINC000072146484	541787823	/nfs/dbraw/zinc/78/78/23/541787823.db2.gz	XPFAUZSEEIEZRF-UHFFFAOYSA-N	1	3	363.465	2.453	50	30		FEEAHO
C=C(C)COc1ccccc1CN1CC[C@@H]2[C@@H](CCC(=O)N2CC[NH3+])C1	ZINC000072407274	541805603	/nfs/dbraw/zinc/80/56/03/541805603.db2.gz	HFKHXUYJBWYAEQ-PKOBYXMFSA-N	1	3	357.498	2.413	50	30		FEEAHO
C=CCC(=O)N(C[C@H]1CCCN1CC)CC1CC[NH+](CCOC)CC1	ZINC000012757536	220026093	/nfs/dbraw/zinc/02/60/93/220026093.db2.gz	YDNGAKYDJJFZOQ-LJQANCHMSA-N	1	3	351.535	2.234	50	30		FEEAHO
C=CCOc1ccccc1CN1CC[C@@H]2[C@@H](CCC(=O)N2CCC[NH3+])C1	ZINC000072406753	541805779	/nfs/dbraw/zinc/80/57/79/541805779.db2.gz	FGARWJDFZASHGJ-PKOBYXMFSA-N	1	3	357.498	2.413	50	30		FEEAHO
C=CCc1cc(CN2CC[C@@H]3[C@@H](CCC(=O)N3CC[NH3+])C2)ccc1OC	ZINC000072418115	541807871	/nfs/dbraw/zinc/80/78/71/541807871.db2.gz	YGCZITJAXVNVOC-RBUKOAKNSA-N	1	3	357.498	2.195	50	30		FEEAHO
CC[NH+](CC)CCO[C@H]1CCN(CCC(=O)Nc2ccc(C#N)cc2)C1	ZINC000076093872	542231993	/nfs/dbraw/zinc/23/19/93/542231993.db2.gz	UNADFJPUARLGJV-IBGZPJMESA-N	1	3	358.486	2.320	50	30		FEEAHO
C[NH+](C)CCCOc1ccc(-c2c(C#N)c(N)nc3c2CNCC3)cc1	ZINC000072127370	541785146	/nfs/dbraw/zinc/78/51/46/541785146.db2.gz	DPSZRRGPTLRCEW-UHFFFAOYSA-N	1	3	351.454	2.179	50	30		FEEAHO
CC1(C)CC(n2cc(O)c(-c3nc4ccccc4[nH]3)c2N)CC(C)(C)[NH2+]1	ZINC000218613147	222684469	/nfs/dbraw/zinc/68/44/69/222684469.db2.gz	UTJIIYUNOXZEHI-UHFFFAOYSA-N	1	3	353.470	2.384	50	30		FEEAHO
CN1CC[N@H+](C)CC12CCN(Cc1ccc(C#CC(C)(C)O)s1)CC2	ZINC000067975409	541535383	/nfs/dbraw/zinc/53/53/83/541535383.db2.gz	USYZQTJZAANMAI-UHFFFAOYSA-N	1	3	361.555	2.082	50	30		FEEAHO
CN1CC[N@@H+](C)CC12CCN(Cc1ccc(C#CC(C)(C)O)s1)CC2	ZINC000067975409	541535385	/nfs/dbraw/zinc/53/53/85/541535385.db2.gz	USYZQTJZAANMAI-UHFFFAOYSA-N	1	3	361.555	2.082	50	30		FEEAHO
CC[NH+](CC)CCO[C@@H]1CCN(CCC(=O)Nc2ccc(C#N)cc2)C1	ZINC000076093868	542232063	/nfs/dbraw/zinc/23/20/63/542232063.db2.gz	UNADFJPUARLGJV-LJQANCHMSA-N	1	3	358.486	2.320	50	30		FEEAHO