smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)C[C@H](CNc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1[N+](=O)[O-])[NH+](C)C	ZINC000012634082	519353863	/nfs/dbraw/zinc/35/38/63/519353863.db2.gz	UOVJAJJKJVECLL-MRXNPFEDSA-N	2	2	427.571	1.919	50	5		IDBALP
C[C@H]1C[C@H](C)C[NH+](CCNc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2[N+](=O)[O-])C1	ZINC000032935535	556678267	/nfs/dbraw/zinc/67/82/67/556678267.db2.gz	KFHHNQSXGYARCI-IRXDYDNUSA-N	2	2	439.582	1.921	50	5		IDBALP
Cc1nc(N2CC[NH+](C)CC2)cc(N2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)[nH+]1	ZINC000015838380	568844416	/nfs/dbraw/zinc/84/44/16/568844416.db2.gz	BWIUACJPNNVGRK-UHFFFAOYSA-N	2	2	425.493	1.407	50	5		IDBALP
C[C@@H]1C[C@H](C)C[N@@H+](CCNc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2[N+](=O)[O-])C1	ZINC000032935532	556678279	/nfs/dbraw/zinc/67/82/79/556678279.db2.gz	KFHHNQSXGYARCI-CALCHBBNSA-N	2	2	439.582	1.921	50	5		IDBALP
C[C@@H]1C[C@H](C)C[N@H+](CCNc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2[N+](=O)[O-])C1	ZINC000032935532	556678281	/nfs/dbraw/zinc/67/82/81/556678281.db2.gz	KFHHNQSXGYARCI-CALCHBBNSA-N	2	2	439.582	1.921	50	5		IDBALP
CC(C)C[C@@H](CNc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1[N+](=O)[O-])[NH+](C)C	ZINC000012634080	519211440	/nfs/dbraw/zinc/21/14/40/519211440.db2.gz	UOVJAJJKJVECLL-INIZCTEOSA-N	2	2	427.571	1.919	50	5		IDBALP
C[C@@H]1C[C@@H](C)C[NH+](CCNc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2[N+](=O)[O-])C1	ZINC000032935530	556678149	/nfs/dbraw/zinc/67/81/49/556678149.db2.gz	KFHHNQSXGYARCI-IAGOWNOFSA-N	2	2	439.582	1.921	50	5		IDBALP
Cc1[nH+]c(CNc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2[N+](=O)[O-])c2n1CCCC2	ZINC000095443234	569366817	/nfs/dbraw/zinc/36/68/17/569366817.db2.gz	KQWAMIPPVFCTAO-UHFFFAOYSA-N	2	2	448.549	1.984	50	5		IDBALP
Cc1nc(N2CC[NH+](C)CC2)cc(N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)[nH+]1	ZINC000015838382	568844437	/nfs/dbraw/zinc/84/44/37/568844437.db2.gz	DUHIYOFKAFXLAZ-UHFFFAOYSA-N	2	2	425.493	1.407	50	5		IDBALP
CC[NH+]1CCN(c2nc(N3CC[NH+](Cc4ccccc4)CC3)nc(N)c2[N+](=O)[O-])CC1	ZINC000004305995	132271446	/nfs/dbraw/zinc/27/14/46/132271446.db2.gz	NDJRECHYTIGUJV-UHFFFAOYSA-N	2	2	426.525	1.431	50	5		IDBALP
C[NH+](C)CCCNS(=O)(=O)c1ccc(N2CCN(c3cccc[nH+]3)CC2)c([N+](=O)[O-])c1	ZINC000009493699	569540809	/nfs/dbraw/zinc/54/08/09/569540809.db2.gz	LKAJQYWDPOOETO-UHFFFAOYSA-N	2	2	448.549	1.546	50	5		IDBALP
CC[NH+]1CCN(c2nc(N)c([N+](=O)[O-])c(N3CC[NH+](Cc4ccccc4)CC3)n2)CC1	ZINC000005100427	132275072	/nfs/dbraw/zinc/27/50/72/132275072.db2.gz	QZSGEBARJRNXBW-UHFFFAOYSA-N	2	2	426.525	1.431	50	5		IDBALP