smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCN1C(=O)NC(=O)C(=C(C)NCCN2CCN(C(C)=O)CC2)C1=O	ZINC000001294798	210149486	/nfs/dbraw/zinc/14/94/86/210149486.db2.gz	YPIHKNDRVMWEPV-WYMLVPIESA-N	1	1	363.418	-0.722	50	30		FBEAMO
C=C(C)Cn1c(N2CC[NH+](CCO)CC2)nc2c1c(=O)n(C)c(=O)n2C	ZINC000019927272	210157615	/nfs/dbraw/zinc/15/76/15/210157615.db2.gz	ARXXUHSTTGVUMZ-UHFFFAOYSA-N	1	1	362.434	-0.876	50	30		FBEAMO
C=CCn1c(=O)c2c(nc3n2cc(C)n3CC[NH+]2CCOCC2)n(C)c1=O	ZINC000023114855	483749368	/nfs/dbraw/zinc/74/93/68/483749368.db2.gz	AOTQTKFHKTTZMP-UHFFFAOYSA-N	1	1	372.429	-0.024	50	30		FBEAMO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC1CC[NH+](CC(N)=O)CC1	ZINC000032908390	483477496	/nfs/dbraw/zinc/47/74/96/483477496.db2.gz	IFPRBQUIECUFLT-UHFFFAOYSA-N	1	1	359.430	-0.138	50	30		FBEAMO
COc1ccc(S(=O)(=O)N=C2NCN(CC[NH+](C)C)CN2)cc1OC	ZINC000040387015	483605814	/nfs/dbraw/zinc/60/58/14/483605814.db2.gz	XGYGTIIRWILGBZ-UHFFFAOYSA-N	1	1	371.463	-0.280	50	30		FBEAMO
COCCN1CCC[C@](O)(C[NH+]2CCN(c3nccnc3C#N)CC2)C1=O	ZINC000067910115	221303866	/nfs/dbraw/zinc/30/38/66/221303866.db2.gz	HALBCNKTWRAUFW-SFHVURJKSA-N	1	1	374.445	-0.530	50	30		FBEAMO
COCCN1CCC[C@@](O)(C[NH+]2CCN(c3nccnc3C#N)CC2)C1=O	ZINC000067910117	221304333	/nfs/dbraw/zinc/30/43/33/221304333.db2.gz	HALBCNKTWRAUFW-GOSISDBHSA-N	1	1	374.445	-0.530	50	30		FBEAMO
C[NH+]1CCN(C[C@@H]2CN(C(=O)C3(C#N)CCOCC3)C[C@@H]2CO)CC1	ZINC000091663745	483796041	/nfs/dbraw/zinc/79/60/41/483796041.db2.gz	GAGJRKHWNOWOAA-HZPDHXFCSA-N	1	1	350.463	-0.379	50	30		FBEAMO
C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H]2C[C@@H](CO)[N@@H+](C)C2)c1	ZINC000095519451	484058325	/nfs/dbraw/zinc/05/83/25/484058325.db2.gz	XUENMCOEQMSJEG-KGLIPLIRSA-N	1	1	353.444	-0.054	50	30		FBEAMO
C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H]2C[C@@H](CO)[N@H+](C)C2)c1	ZINC000095519451	484058318	/nfs/dbraw/zinc/05/83/18/484058318.db2.gz	XUENMCOEQMSJEG-KGLIPLIRSA-N	1	1	353.444	-0.054	50	30		FBEAMO
C[C@H](CNC(=O)N1CCC(CS(N)(=O)=O)CC1)C[NH+]1CCOCC1	ZINC000330388717	483912890	/nfs/dbraw/zinc/91/28/90/483912890.db2.gz	NKBPVOHCGWSUJL-CYBMUJFWSA-N	1	1	362.496	-0.131	50	30		FBEAMO
C[C@@H](CNC(=O)N1CCC(CS(N)(=O)=O)CC1)C[NH+]1CCOCC1	ZINC000330388718	483913171	/nfs/dbraw/zinc/91/31/71/483913171.db2.gz	NKBPVOHCGWSUJL-ZDUSSCGKSA-N	1	1	362.496	-0.131	50	30		FBEAMO
Cc1nsc(NC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)c1C#N	ZINC000333306143	245000824	/nfs/dbraw/zinc/00/08/24/245000824.db2.gz	KYCUQVJCUCGRQL-UHFFFAOYSA-N	1	1	370.460	-0.226	50	30		FBEAMO