smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCc1cc(C)ccc1OCCCNCC[NH3+]	ZINC000020118060	187206120	/nfs/dbraw/zinc/20/61/20/187206120.db2.gz	XDOFGRMBGUGGHF-UHFFFAOYSA-N	1	3	248.370	2.041	50	30		BEEAHO
CN(C)CC#CCCCCCCC#CC[NH+](C)C	ZINC000002280415	384930068	/nfs/dbraw/zinc/93/00/68/384930068.db2.gz	ZWFJZRUFKJFTSR-UHFFFAOYSA-N	1	3	248.414	2.457	50	30		BEEAHO
CN(C)/C=C/C=C1\CC/C(=C\C=C\[NH+](C)C)C1=O	ZINC000013943452	172351308	/nfs/dbraw/zinc/35/13/08/172351308.db2.gz	BZIQULGWFPDBIZ-JRXATRHQSA-N	1	3	246.354	2.353	50	30		BEEAHO
CCN(CC)CC#CCCC[NH+](CC)CC	ZINC000001689784	355909900	/nfs/dbraw/zinc/90/99/00/355909900.db2.gz	CGCBJQXAIDFSBY-UHFFFAOYSA-N	1	3	224.392	2.454	50	30		BEEAHO
C[C@H]([NH3+])C1CCN(Cc2ccc(C#N)cc2)CC1	ZINC000110644785	388648076	/nfs/dbraw/zinc/64/80/76/388648076.db2.gz	ANBGPTQTJRIOMU-LBPRGKRZSA-N	1	3	243.354	2.117	50	30		BEEAHO
C[C@@H]([NH3+])C1CCN(Cc2ccc(C#N)cc2)CC1	ZINC000110644787	388648439	/nfs/dbraw/zinc/64/84/39/388648439.db2.gz	ANBGPTQTJRIOMU-GFCCVEGCSA-N	1	3	243.354	2.117	50	30		BEEAHO
C=CCCCN1CCN(c2cc[nH+]cc2)CC1	ZINC000095415787	132240481	/nfs/dbraw/zinc/24/04/81/132240481.db2.gz	IKPVDJTZWMRMHG-UHFFFAOYSA-N	1	3	231.343	2.170	50	30		BEEAHO
C[C@H](CC#N)NC1CCC([NH2+][C@H](C)CC#N)CC1	ZINC000067406042	388406159	/nfs/dbraw/zinc/40/61/59/388406159.db2.gz	CSSMOPKKZCEXQQ-IWMBGFJWSA-N	1	3	248.374	2.081	50	30		BEEAHO
C[C@@H](CC#N)NC1CCC([NH2+][C@@H](C)CC#N)CC1	ZINC000067406039	388406346	/nfs/dbraw/zinc/40/63/46/388406346.db2.gz	CSSMOPKKZCEXQQ-FEPKRQSRSA-N	1	3	248.374	2.081	50	30		BEEAHO
C=C(C)CN1CCC(C[NH+]2CCCC2)CC1	ZINC000047969267	386564644	/nfs/dbraw/zinc/56/46/44/386564644.db2.gz	MABPYZBMCJDMLL-UHFFFAOYSA-N	1	3	222.376	2.370	50	30		BEEAHO