smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[NH3+]CCCC[C@H]([NH3+])c1cc(Cl)ccc1O	ZINC000575439899	388629767	/nfs/dbraw/zinc/62/97/67/388629767.db2.gz	XTWGCWNRDKKHHQ-JTQLQIEISA-N	2	0	228.723	2.174	10	10		BECERP
CC[NH2+]Cc1ccc(OC)c(C[NH+]2CCCC2)c1	ZINC000016942077	170127201	/nfs/dbraw/zinc/12/72/01/170127201.db2.gz	LXLXKJZJXVUKOE-UHFFFAOYSA-N	2	0	248.370	2.401	10	10		BECERP
C[C@H](c1ccc(N(C)C)cc1)[NH+]1CCC([NH3+])CC1	ZINC000037902607	177034756	/nfs/dbraw/zinc/03/47/56/177034756.db2.gz	UPQWZYKDCAVFCT-GFCCVEGCSA-N	2	0	247.386	2.237	10	10		BECERP
Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]CCC[NH3+]	ZINC000037713362	1170967223	/nfs/dbraw/zinc/96/72/23/1170967223.db2.gz	WMYFFHKJGYMDLF-QWRGUYRKSA-N	2	0	234.343	2.187	10	10		BECERP
CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(C)ccc2O)C1	ZINC000071407994	170008574	/nfs/dbraw/zinc/00/85/74/170008574.db2.gz	RDQSHGPJULTWTJ-ZDUSSCGKSA-N	2	0	248.370	2.132	10	10		BECERP
CC[NH2+]Cc1ccc(N(C)CC[NH+](C)C)c(C)c1	ZINC000104187101	170126278	/nfs/dbraw/zinc/12/62/78/170126278.db2.gz	HEOFBDBKQXUVQR-UHFFFAOYSA-N	2	0	249.402	2.102	10	10		BECERP
C[NH2+]Cc1ccc(OC)c(C[NH+]2CCCC2)c1	ZINC000016942036	173389070	/nfs/dbraw/zinc/38/90/70/173389070.db2.gz	ZBYQGMNPZXFMFV-UHFFFAOYSA-N	2	0	234.343	2.010	10	10		BECERP
C[C@@H](c1ccc(N(C)C)cc1)[N@@H+]1CC[C@H](C[NH3+])C1	ZINC000050245027	176015254	/nfs/dbraw/zinc/01/52/54/176015254.db2.gz	CZWWUIPHCFRUGS-QWHCGFSZSA-N	2	0	247.386	2.094	10	10		BECERP
CCCN(CC[NH+](C)C)c1ccc([C@@H](C)[NH3+])cc1	ZINC000045695125	169157732	/nfs/dbraw/zinc/15/77/32/169157732.db2.gz	AEBITQZGLAYWGC-CYBMUJFWSA-N	2	0	249.402	2.484	10	10		BECERP
C[C@H]([NH3+])c1ccc(N2CCC([NH+](C)C)CC2)cc1	ZINC000036192334	132340823	/nfs/dbraw/zinc/34/08/23/132340823.db2.gz	LWCFGDZZUZMDEZ-LBPRGKRZSA-N	2	0	247.386	2.237	10	10		BECERP
CC(C)[NH+]1CCN(c2ccc([C@@H](C)[NH3+])cc2)CC1	ZINC000036190071	535204653	/nfs/dbraw/zinc/20/46/53/535204653.db2.gz	MLIMCDWTJPLTQG-CYBMUJFWSA-N	2	0	247.386	2.237	10	10		BECERP
Cc1cc(Cl)cc([C@H]([NH3+])CCCC[NH3+])c1O	ZINC000575438482	387130078	/nfs/dbraw/zinc/13/00/78/387130078.db2.gz	LETVPLMFUAKTNZ-LLVKDONJSA-N	2	0	242.750	2.483	10	10		BECERP
C[C@@H]([NH3+])c1ccc(N(C)CCC[NH+](C)C)cc1	ZINC000104194595	175816762	/nfs/dbraw/zinc/81/67/62/175816762.db2.gz	XRLHADHRIHGWRG-GFCCVEGCSA-N	2	0	235.375	2.094	10	10		BECERP
CC[C@H](C)[NH+]1CCN(c2ccc(C[NH3+])cc2)CC1	ZINC000020266012	132331009	/nfs/dbraw/zinc/33/10/09/132331009.db2.gz	CTKPIRHBWBRBEK-ZDUSSCGKSA-N	2	0	247.386	2.066	10	10		BECERP
CC(C)(C)[NH+]1CCN(c2ccc(C[NH3+])cc2)CC1	ZINC000020266000	132330685	/nfs/dbraw/zinc/33/06/85/132330685.db2.gz	DXFPKRATAGHCBT-UHFFFAOYSA-N	2	0	247.386	2.066	10	10		BECERP
CN(CCC[NH+]1CCCC1)c1ccc(C[NH3+])cc1	ZINC000049332144	172706714	/nfs/dbraw/zinc/70/67/14/172706714.db2.gz	MCEMVDJOFLXPJU-UHFFFAOYSA-N	2	0	247.386	2.067	10	10		BECERP
CC(C)[NH+]1CCN(c2ccc([C@H](C)[NH3+])cc2)CC1	ZINC000036190074	535205700	/nfs/dbraw/zinc/20/57/00/535205700.db2.gz	MLIMCDWTJPLTQG-ZDUSSCGKSA-N	2	0	247.386	2.237	10	10		BECERP
Cc1ccc(O)c(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)c1	ZINC000231456063	641174683	/nfs/dbraw/zinc/17/46/83/641174683.db2.gz	ZSYPZXFQKVYYJL-AWEZNQCLSA-N	2	0	248.370	2.275	10	10		BECERP
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]CCC[NH3+]	ZINC000037713361	1170967153	/nfs/dbraw/zinc/96/71/53/1170967153.db2.gz	WMYFFHKJGYMDLF-MNOVXSKESA-N	2	0	234.343	2.187	10	10		BECERP
CCC[NH+]1CCN(c2ccc([C@@H](C)[NH3+])cc2)CC1	ZINC000019872667	534933103	/nfs/dbraw/zinc/93/31/03/534933103.db2.gz	JWXLGYKTFAMKRM-CYBMUJFWSA-N	2	0	247.386	2.238	10	10		BECERP
C[NH2+]Cc1ccc(OC)c(C[NH+]2CCCCC2)c1	ZINC000016942039	173388564	/nfs/dbraw/zinc/38/85/64/173388564.db2.gz	DACNLBPGAFBRAU-UHFFFAOYSA-N	2	0	248.370	2.401	10	10		BECERP
[NH3+]CCCC[C@@H]([NH3+])c1cc(Cl)ccc1O	ZINC000575439198	388627169	/nfs/dbraw/zinc/62/71/69/388627169.db2.gz	XTWGCWNRDKKHHQ-SNVBAGLBSA-N	2	0	228.723	2.174	10	10		BECERP
COc1ccc(C[NH2+]C(C)C)cc1C[NH+](C)C	ZINC000045206452	175105352	/nfs/dbraw/zinc/10/53/52/175105352.db2.gz	XDTZASNDKIXGOJ-UHFFFAOYSA-N	2	0	236.359	2.255	10	10		BECERP
Cc1cc(Cl)cc([C@@H]([NH3+])CCCC[NH3+])c1O	ZINC000575438486	387128684	/nfs/dbraw/zinc/12/86/84/387128684.db2.gz	LETVPLMFUAKTNZ-NSHDSACASA-N	2	0	242.750	2.483	10	10		BECERP
CCC[NH+]1CCN(c2ccc([C@H](C)[NH3+])cc2)CC1	ZINC000019872669	534932647	/nfs/dbraw/zinc/93/26/47/534932647.db2.gz	JWXLGYKTFAMKRM-ZDUSSCGKSA-N	2	0	247.386	2.238	10	10		BECERP
CC[C@@H](C)[NH+]1CCN(c2ccc(C[NH3+])cc2)CC1	ZINC000020266009	535565248	/nfs/dbraw/zinc/56/52/48/535565248.db2.gz	CTKPIRHBWBRBEK-CYBMUJFWSA-N	2	0	247.386	2.066	10	10		BECERP
Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]CCC[NH3+]	ZINC000037713363	1170966840	/nfs/dbraw/zinc/96/68/40/1170966840.db2.gz	WMYFFHKJGYMDLF-GHMZBOCLSA-N	2	0	234.343	2.187	10	10		BECERP
Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]CCC[NH3+]	ZINC000037713364	1170967164	/nfs/dbraw/zinc/96/71/64/1170967164.db2.gz	WMYFFHKJGYMDLF-WDEREUQCSA-N	2	0	234.343	2.187	10	10		BECERP
CN(C)c1ccc([C@H]([NH3+])CCC[NH3+])c(Cl)c1	ZINC000575439796	387125197	/nfs/dbraw/zinc/12/51/97/387125197.db2.gz	VZKCWURXLZJKIB-GFCCVEGCSA-N	2	0	241.766	2.145	10	10		BECERP
C[C@@H](c1ccc(N(C)C)cc1)[NH+]1CCC([NH3+])CC1	ZINC000037902606	176016082	/nfs/dbraw/zinc/01/60/82/176016082.db2.gz	UPQWZYKDCAVFCT-LBPRGKRZSA-N	2	0	247.386	2.237	10	10		BECERP
C[C@H](c1ccc(N(C)C)cc1)[N@@H+]1CC[C@H](C[NH3+])C1	ZINC000050245028	177033659	/nfs/dbraw/zinc/03/36/59/177033659.db2.gz	CZWWUIPHCFRUGS-CHWSQXEVSA-N	2	0	247.386	2.094	10	10		BECERP
CC[N@@H+]1CC[C@H](C[NH2+]Cc2cc(C)ccc2O)C1	ZINC000071407992	170015072	/nfs/dbraw/zinc/01/50/72/170015072.db2.gz	RDQSHGPJULTWTJ-CYBMUJFWSA-N	2	0	248.370	2.132	10	10		BECERP
C[C@H](c1ccccc1O)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1	ZINC000310989615	634195148	/nfs/dbraw/zinc/19/51/48/634195148.db2.gz	HMPFHCDUWRRHGY-LALPHHSUSA-N	2	0	248.370	2.370	10	10		BECERP
C[C@@H]([NH3+])c1ccc(N2CCC([NH+](C)C)CC2)cc1	ZINC000036192336	132340727	/nfs/dbraw/zinc/34/07/27/132340727.db2.gz	LWCFGDZZUZMDEZ-GFCCVEGCSA-N	2	0	247.386	2.237	10	10		BECERP
C[N@H+]1[C@@H]2CC[C@H]1CC([NH2+]Cc1ccccc1O)C2	ZINC000076690961	173206605	/nfs/dbraw/zinc/20/66/05/173206605.db2.gz	GQBVFKQVWGUUIJ-AGUYFDCRSA-N	2	0	246.354	2.107	10	10		BECERP
CN(C)c1ccc([C@@H]([NH3+])CCC[NH3+])c(Cl)c1	ZINC000575439799	387125214	/nfs/dbraw/zinc/12/52/14/387125214.db2.gz	VZKCWURXLZJKIB-LBPRGKRZSA-N	2	0	241.766	2.145	10	10		BECERP
Cc1ccc(O)c(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)c1	ZINC000231456037	641175737	/nfs/dbraw/zinc/17/57/37/641175737.db2.gz	ZSYPZXFQKVYYJL-CQSZACIVSA-N	2	0	248.370	2.275	10	10		BECERP
COc1ccc(C[NH2+]C2CC2)cc1C[NH+](C)C	ZINC000045206453	175105157	/nfs/dbraw/zinc/10/51/57/175105157.db2.gz	NNZBOKKLQOGIGZ-UHFFFAOYSA-N	2	0	234.343	2.009	10	10		BECERP