smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)c1ccc([C@H](C[NH3+])[NH+]2CCCC2)cc1	ZINC000032497026	343236119	/nfs/dbraw/zinc/23/61/19/343236119.db2.gz	OMAOMESBLDANMZ-AWEZNQCLSA-N	2	2	233.359	1.848	50	10		BDCALP
C[NH+](C)[C@H]1CCCN(c2ccc([NH3+])cc2)C1	ZINC000066054555	132390449	/nfs/dbraw/zinc/39/04/49/132390449.db2.gz	SQTUPDJOXRJLPO-ZDUSSCGKSA-N	2	2	219.332	1.799	50	10		BDCALP
[NH3+][C@H](c1ccccc1O)[C@H]([NH3+])c1ccccc1O	ZINC000037011480	343330668	/nfs/dbraw/zinc/33/06/68/343330668.db2.gz	MRNPLGLZBUDMRE-ZIAGYGMSSA-N	2	2	244.294	1.798	50	10		BDCALP
CN(C)c1ccc([C@H](C[NH3+])[NH+](C)C)cc1	ZINC000095483748	384377743	/nfs/dbraw/zinc/37/77/43/384377743.db2.gz	KNSVRRFVRFIBOZ-LBPRGKRZSA-N	2	2	207.321	1.314	50	10		BDCALP
CN(C)c1ccc([C@@H](C[NH3+])[NH+](C)C)cc1	ZINC000095483747	384378195	/nfs/dbraw/zinc/37/81/95/384378195.db2.gz	KNSVRRFVRFIBOZ-GFCCVEGCSA-N	2	2	207.321	1.314	50	10		BDCALP
[NH3+][C@H]1CCC[N@@H+](Cc2ccccc2O)C1	ZINC000038539476	348711932	/nfs/dbraw/zinc/71/19/32/348711932.db2.gz	JXYXDWHJIBGHSV-NSHDSACASA-N	2	2	206.289	1.315	50	10		BDCALP
[NH3+]CC[NH2+]Cc1cc(Cl)cc(Cl)c1O	ZINC000037712497	181396258	/nfs/dbraw/zinc/39/62/58/181396258.db2.gz	CBHOZLSOMBNGMR-UHFFFAOYSA-N	2	2	235.114	1.747	50	10		BDCALP
[NH3+][C@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1	ZINC000219533749	527400683	/nfs/dbraw/zinc/40/06/83/527400683.db2.gz	PZZYORFKPRMFDB-NSHDSACASA-N	2	2	224.279	1.454	50	10		BDCALP
[NH3+][C@H]1CCC[N@@H+](Cc2cc(F)ccc2O)C1	ZINC000219533749	527400686	/nfs/dbraw/zinc/40/06/86/527400686.db2.gz	PZZYORFKPRMFDB-NSHDSACASA-N	2	2	224.279	1.454	50	10		BDCALP
COc1cccc(C[N@@H+]2CCC[C@@H]([NH3+])C2)c1O	ZINC000041027816	175258657	/nfs/dbraw/zinc/25/86/57/175258657.db2.gz	KXMNDJNOTWKSQQ-LLVKDONJSA-N	2	2	236.315	1.324	50	10		BDCALP
COc1cccc(C[N@H+]2CCC[C@@H]([NH3+])C2)c1O	ZINC000041027816	175258658	/nfs/dbraw/zinc/25/86/58/175258658.db2.gz	KXMNDJNOTWKSQQ-LLVKDONJSA-N	2	2	236.315	1.324	50	10		BDCALP
[NH3+]Cc1cc(Br)cc(C[NH3+])c1O	ZINC000095616349	384382496	/nfs/dbraw/zinc/38/24/96/384382496.db2.gz	ANLYOWBBIQQFIK-UHFFFAOYSA-N	2	2	231.093	1.072	50	10		BDCALP
C[NH+](C)[C@@H]1CCCN(c2ccc([NH3+])cc2)C1	ZINC000066054554	132389999	/nfs/dbraw/zinc/38/99/99/132389999.db2.gz	SQTUPDJOXRJLPO-CYBMUJFWSA-N	2	2	219.332	1.799	50	10		BDCALP
[NH3+][C@@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1	ZINC000219533679	527348025	/nfs/dbraw/zinc/34/80/25/527348025.db2.gz	PZZYORFKPRMFDB-LLVKDONJSA-N	2	2	224.279	1.454	50	10		BDCALP
[NH3+][C@@H]1CCC[N@@H+](Cc2cc(F)ccc2O)C1	ZINC000219533679	527348027	/nfs/dbraw/zinc/34/80/27/527348027.db2.gz	PZZYORFKPRMFDB-LLVKDONJSA-N	2	2	224.279	1.454	50	10		BDCALP
Cc1[nH]c2ccc(O)c(C[NH+](C)C)c2[nH+]1	ZINC000000229665	180064599	/nfs/dbraw/zinc/06/45/99/180064599.db2.gz	KOXFMYCKLMXBLJ-UHFFFAOYSA-N	2	2	205.261	1.639	50	10		BDCALP
COc1cccc(C[N@@H+]2CCC[C@H]([NH3+])C2)c1O	ZINC000041027815	175258889	/nfs/dbraw/zinc/25/88/89/175258889.db2.gz	KXMNDJNOTWKSQQ-NSHDSACASA-N	2	2	236.315	1.324	50	10		BDCALP
COc1cccc(C[N@H+]2CCC[C@H]([NH3+])C2)c1O	ZINC000041027815	175258890	/nfs/dbraw/zinc/25/88/90/175258890.db2.gz	KXMNDJNOTWKSQQ-NSHDSACASA-N	2	2	236.315	1.324	50	10		BDCALP
[NH3+][C@@H](c1ccccc1O)[C@@H]([NH3+])c1ccccc1O	ZINC000037011481	343330761	/nfs/dbraw/zinc/33/07/61/343330761.db2.gz	MRNPLGLZBUDMRE-KBPBESRZSA-N	2	2	244.294	1.798	50	10		BDCALP
CN1CCc2cc([C@@H](C[NH3+])[NH+](C)C)ccc21	ZINC000034936232	173172313	/nfs/dbraw/zinc/17/23/13/173172313.db2.gz	JEUGZIMGUVELSV-CYBMUJFWSA-N	2	2	219.332	1.240	50	10		BDCALP
CN(C)c1ccc([C@@H](C[NH3+])[NH+]2CCCC2)cc1	ZINC000032497025	343236227	/nfs/dbraw/zinc/23/62/27/343236227.db2.gz	OMAOMESBLDANMZ-CQSZACIVSA-N	2	2	233.359	1.848	50	10		BDCALP
CN1CCc2cc([C@H](C[NH3+])[NH+](C)C)ccc21	ZINC000034936233	173171547	/nfs/dbraw/zinc/17/15/47/173171547.db2.gz	JEUGZIMGUVELSV-ZDUSSCGKSA-N	2	2	219.332	1.240	50	10		BDCALP
[NH3+][C@@H]1CCC[N@@H+](Cc2ccccc2O)C1	ZINC000038539472	348711785	/nfs/dbraw/zinc/71/17/85/348711785.db2.gz	JXYXDWHJIBGHSV-LLVKDONJSA-N	2	2	206.289	1.315	50	10		BDCALP