smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCn1cnnc1[C@@H]1CCC[N@@H+](CC(C)C)C1	ZINC000161275031	349413285	/nfs/dbraw/zinc/41/32/85/349413285.db2.gz	RIUJMQNPCHUKFI-GFCCVEGCSA-N	1	1	236.363	2.133	10	70		BEIEMO
C(C[N@H+]1CCO[C@H]2CCCC[C@H]21)OCC1CC1	ZINC000159626052	388024152	/nfs/dbraw/zinc/02/41/52/388024152.db2.gz	SWFKTEMQXZINNN-KGLIPLIRSA-N	1	1	239.359	2.056	10	70		BEIEMO
OC1(C2CC2)C[NH+](C/C=C\c2ccccc2)C1	ZINC000216964432	134186670	/nfs/dbraw/zinc/18/66/70/134186670.db2.gz	MAXXBQKACRJRIN-DAXSKMNVSA-N	1	1	229.323	2.157	10	70		BEIEMO
CCSCC[N@H+]1CCC[C@H]1c1cnn(C)c1	ZINC000160520930	384418571	/nfs/dbraw/zinc/41/85/71/384418571.db2.gz	FHCRMTOYFZISGB-LBPRGKRZSA-N	1	1	239.388	2.310	10	70		BEIEMO
CCCC(=O)NC[C@H]1CCC[N@H+]1CC(C)C	ZINC000160426601	323066286	/nfs/dbraw/zinc/06/62/86/323066286.db2.gz	FDCVXARZTUHQEW-GFCCVEGCSA-N	1	1	226.364	2.023	10	70		BEIEMO
C[C@@H]1CCC[N@H+]1[C@@H]1Cc2ccc(O)cc2C1	ZINC000218014237	344432403	/nfs/dbraw/zinc/43/24/03/344432403.db2.gz	IVUPHSONVWIOPG-ZWNOBZJWSA-N	1	1	217.312	2.344	10	70		BEIEMO
CCSCC[N@H+]1CCS[C@@H](C)C1	ZINC000160582827	349259697	/nfs/dbraw/zinc/25/96/97/349259697.db2.gz	CLRYTXYBSOJOHE-VIFPVBQESA-N	1	1	205.392	2.177	10	70		BEIEMO
CCn1cnnc1[C@@H]1CCC[N@@H+](CC=C(C)C)C1	ZINC000161290575	349416524	/nfs/dbraw/zinc/41/65/24/349416524.db2.gz	SFVDWTWZFDHGGP-CYBMUJFWSA-N	1	1	248.374	2.444	10	70		BEIEMO
CC[C@H]1CCCC[C@H]1[N@H+]1CCN[C@@H](C)C1	ZINC000159584928	171611073	/nfs/dbraw/zinc/61/10/73/171611073.db2.gz	WKYFQFXSOGGPNJ-RWMBFGLXSA-N	1	1	210.365	2.249	10	70		BEIEMO
CCCC[N@H+]1CCC[C@H](c2nncn2CC)C1	ZINC000161428259	349445651	/nfs/dbraw/zinc/44/56/51/349445651.db2.gz	OONXSMLPEDGVDI-LBPRGKRZSA-N	1	1	236.363	2.278	10	70		BEIEMO
CCSCC[NH+]1CCC(c2ccn[nH]2)CC1	ZINC000160070002	384603416	/nfs/dbraw/zinc/60/34/16/384603416.db2.gz	HBKCAQDFZVXFRL-UHFFFAOYSA-N	1	1	239.388	2.342	10	70		BEIEMO
C[C@H]1C[N@@H+](Cc2cnc3ccccn23)CCS1	ZINC000159795881	323048111	/nfs/dbraw/zinc/04/81/11/323048111.db2.gz	ZVVNXPMWNODKDI-NSHDSACASA-N	1	1	247.367	2.272	10	70		BEIEMO
C[C@H](CC(N)=S)[N@H+]1CCC[C@@H](C)CC1	ZINC000216820067	343258955	/nfs/dbraw/zinc/25/89/55/343258955.db2.gz	QDVNEVNRUGIALX-NXEZZACHSA-N	1	1	214.378	2.173	10	70		BEIEMO
CC[C@H]1CCC[N@@H+](C[C@@H](N)CC(C)C)C1	ZINC000218409733	134254658	/nfs/dbraw/zinc/25/46/58/134254658.db2.gz	QKUZXINKXBMKQA-STQMWFEESA-N	1	1	212.381	2.482	10	70		BEIEMO
CC[C@H]1CCCN(C[C@@H]([NH3+])CC(C)C)C1	ZINC000218409733	134254659	/nfs/dbraw/zinc/25/46/59/134254659.db2.gz	QKUZXINKXBMKQA-STQMWFEESA-N	1	1	212.381	2.482	10	70		BEIEMO
CCCC[N@H+]1CCC[C@@H](c2nncn2CC)C1	ZINC000161428387	133514040	/nfs/dbraw/zinc/51/40/40/133514040.db2.gz	OONXSMLPEDGVDI-GFCCVEGCSA-N	1	1	236.363	2.278	10	70		BEIEMO
CC[C@H](C(N)=S)[N@H+]1CCC[C@@H](C)CC1	ZINC000216820221	350017766	/nfs/dbraw/zinc/01/77/66/350017766.db2.gz	RUMAZCURNVBWFR-NXEZZACHSA-N	1	1	214.378	2.173	10	70		BEIEMO
CCC[C@@H](C)[N@@H+](C)C[C@@H](N)CC(C)C	ZINC000218310381	355646994	/nfs/dbraw/zinc/64/69/94/355646994.db2.gz	BEZDUEOCINTUGM-NEPJUHHUSA-N	1	1	200.370	2.480	10	70		BEIEMO
CCC[C@@H](C)N(C)C[C@@H]([NH3+])CC(C)C	ZINC000218310381	355646996	/nfs/dbraw/zinc/64/69/96/355646996.db2.gz	BEZDUEOCINTUGM-NEPJUHHUSA-N	1	1	200.370	2.480	10	70		BEIEMO
C(C[N@H+]1CCO[C@@H]2CCCC[C@H]21)OCC1CC1	ZINC000159625896	411322208	/nfs/dbraw/zinc/32/22/08/411322208.db2.gz	SWFKTEMQXZINNN-ZIAGYGMSSA-N	1	1	239.359	2.056	10	70		BEIEMO
C[C@@H](C[N@H+]1CCC[C@@H](C)CC1)C(N)=S	ZINC000216819837	350017543	/nfs/dbraw/zinc/01/75/43/350017543.db2.gz	GUKYAHROUFSVMN-ZJUUUORDSA-N	1	1	214.378	2.031	10	70		BEIEMO
CCn1cnnc1[C@H]1CCC[N@@H+](CC=C(C)C)C1	ZINC000161290708	349416531	/nfs/dbraw/zinc/41/65/31/349416531.db2.gz	SFVDWTWZFDHGGP-ZDUSSCGKSA-N	1	1	248.374	2.444	10	70		BEIEMO
CC(C)C[C@H](N)C[N@H+]1CCC[C@@H](C)CC1	ZINC000216861705	384429641	/nfs/dbraw/zinc/42/96/41/384429641.db2.gz	AULLSDBXLWOAOU-OLZOCXBDSA-N	1	1	212.381	2.482	10	70		BEIEMO
CC(C)C[C@H]([NH3+])CN1CCC[C@@H](C)CC1	ZINC000216861705	384429648	/nfs/dbraw/zinc/42/96/48/384429648.db2.gz	AULLSDBXLWOAOU-OLZOCXBDSA-N	1	1	212.381	2.482	10	70		BEIEMO
CCn1cnnc1[C@H]1CCC[N@@H+](CC(C)C)C1	ZINC000161275146	136273950	/nfs/dbraw/zinc/27/39/50/136273950.db2.gz	RIUJMQNPCHUKFI-LBPRGKRZSA-N	1	1	236.363	2.133	10	70		BEIEMO
COc1cc[nH+]c(C)c1OC(F)(F)F	ZINC000218378055	372101034	/nfs/dbraw/zinc/10/10/34/372101034.db2.gz	FVFKMNLDUQHIGA-UHFFFAOYSA-N	1	1	207.151	2.297	10	70		BEIEMO
CCSCC[N@H+]1CCC[C@@H]1c1cnn(C)c1	ZINC000160520782	384418196	/nfs/dbraw/zinc/41/81/96/384418196.db2.gz	FHCRMTOYFZISGB-GFCCVEGCSA-N	1	1	239.388	2.310	10	70		BEIEMO
COC(C[N@H+]1CCC[C@@H]1c1ccco1)OC	ZINC000161138341	385743642	/nfs/dbraw/zinc/74/36/42/385743642.db2.gz	SVSUOHPGVAVWMP-SNVBAGLBSA-N	1	1	225.288	2.035	10	70		BEIEMO
Cc1nc(C[C@@H]2CCC[N@H+](CC(C)C)C2)no1	ZINC000161048442	349366205	/nfs/dbraw/zinc/36/62/05/349366205.db2.gz	NGSFHEQTKBSAQM-LBPRGKRZSA-N	1	1	237.347	2.289	10	70		BEIEMO
CC[C@@H](C(N)=S)[N@H+]1CCC[C@@H](C)CC1	ZINC000216820256	350017837	/nfs/dbraw/zinc/01/78/37/350017837.db2.gz	RUMAZCURNVBWFR-ZJUUUORDSA-N	1	1	214.378	2.173	10	70		BEIEMO
CC[C@@H]1CCC[N@@H+](C[C@@H](N)CC(C)C)C1	ZINC000218409651	134254673	/nfs/dbraw/zinc/25/46/73/134254673.db2.gz	QKUZXINKXBMKQA-OLZOCXBDSA-N	1	1	212.381	2.482	10	70		BEIEMO
CC[C@@H]1CCCN(C[C@@H]([NH3+])CC(C)C)C1	ZINC000218409651	134254674	/nfs/dbraw/zinc/25/46/74/134254674.db2.gz	QKUZXINKXBMKQA-OLZOCXBDSA-N	1	1	212.381	2.482	10	70		BEIEMO
COC(C[N@H+]1CCC[C@H]1c1ccco1)OC	ZINC000161138479	385744870	/nfs/dbraw/zinc/74/48/70/385744870.db2.gz	SVSUOHPGVAVWMP-JTQLQIEISA-N	1	1	225.288	2.035	10	70		BEIEMO
C(N[C@H]1CC[NH2+]C1)C1C2CC3CC(C2)CC1C3	ZINC000217176673	345744380	/nfs/dbraw/zinc/74/43/80/345744380.db2.gz	UQQQGBMSOURTQS-BPHCLYMKSA-N	1	1	234.387	2.010	10	70		BEIEMO
C(C[N@H+]1CCO[C@@H]2CCCC[C@@H]21)OCC1CC1	ZINC000159626186	388024345	/nfs/dbraw/zinc/02/43/45/388024345.db2.gz	SWFKTEMQXZINNN-UONOGXRCSA-N	1	1	239.359	2.056	10	70		BEIEMO
c1cc(C2CC[NH+](CCOCC3CC3)CC2)[nH]n1	ZINC000160069570	388045010	/nfs/dbraw/zinc/04/50/10/388045010.db2.gz	GSTZVZJDDTYUJR-UHFFFAOYSA-N	1	1	249.358	2.016	10	70		BEIEMO
CCC[C@H](C)[N@@H+](C)C[C@@H](N)CC(C)C	ZINC000218310441	535630285	/nfs/dbraw/zinc/63/02/85/535630285.db2.gz	BEZDUEOCINTUGM-RYUDHWBXSA-N	1	1	200.370	2.480	10	70		BEIEMO
CCC[C@H](C)N(C)C[C@@H]([NH3+])CC(C)C	ZINC000218310441	535630290	/nfs/dbraw/zinc/63/02/90/535630290.db2.gz	BEZDUEOCINTUGM-RYUDHWBXSA-N	1	1	200.370	2.480	10	70		BEIEMO
C(N[C@@H]1CC[NH2+]C1)C1C2CC3CC(C2)CC1C3	ZINC000217176668	345744118	/nfs/dbraw/zinc/74/41/18/345744118.db2.gz	UQQQGBMSOURTQS-DUTNFGBUSA-N	1	1	234.387	2.010	10	70		BEIEMO
Cc1nc(C[C@H]2CCC[N@H+](CC(C)C)C2)no1	ZINC000161048582	349366067	/nfs/dbraw/zinc/36/60/67/349366067.db2.gz	NGSFHEQTKBSAQM-GFCCVEGCSA-N	1	1	237.347	2.289	10	70		BEIEMO
C(C[N@H+]1CCO[C@H]2CCCC[C@@H]21)OCC1CC1	ZINC000159626317	386074393	/nfs/dbraw/zinc/07/43/93/386074393.db2.gz	SWFKTEMQXZINNN-KBPBESRZSA-N	1	1	239.359	2.056	10	70		BEIEMO
O[C@@H]1CCC[C@H]1[N@H+]1CCc2sccc2C1	ZINC000217800554	411267241	/nfs/dbraw/zinc/26/72/41/411267241.db2.gz	MQTNHUGYXUPCDH-GHMZBOCLSA-N	1	1	223.341	2.020	10	70		BEIEMO