smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+]=C(NC[C@@H]1CN(C)CCO1)N[C@@H]1CC[N@@H+](C2CC2)C1	ZINC000262735464	656133337	/nfs/dbraw/zinc/13/33/37/656133337.db2.gz	CMFKRZZBISABFR-TZMCWYRMSA-N	2	1	295.431	-0.281	10	30		CBEEMP
C[NH+]=C(NC[C@@H]1CN(C)CCO1)N[C@@H]1CC[N@H+](C2CC2)C1	ZINC000262735464	656133341	/nfs/dbraw/zinc/13/33/41/656133341.db2.gz	CMFKRZZBISABFR-TZMCWYRMSA-N	2	1	295.431	-0.281	10	30		CBEEMP
C=CCNC(=O)NC(=O)C[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1	ZINC000601327623	355586509	/nfs/dbraw/zinc/58/65/09/355586509.db2.gz	XSMRJLVIYQMMRS-UWVGGRQHSA-N	2	1	254.334	-0.475	10	30		CBEEMP
C=CCNC(=O)NC(=O)C[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1	ZINC000601327623	355586513	/nfs/dbraw/zinc/58/65/13/355586513.db2.gz	XSMRJLVIYQMMRS-UWVGGRQHSA-N	2	1	254.334	-0.475	10	30		CBEEMP
C=CCNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1	ZINC000601327625	355586575	/nfs/dbraw/zinc/58/65/75/355586575.db2.gz	XSMRJLVIYQMMRS-ZJUUUORDSA-N	2	1	254.334	-0.475	10	30		CBEEMP
C=CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1	ZINC000601327625	355586578	/nfs/dbraw/zinc/58/65/78/355586578.db2.gz	XSMRJLVIYQMMRS-ZJUUUORDSA-N	2	1	254.334	-0.475	10	30		CBEEMP
CNC(=O)CNC(N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C)=[NH+]C	ZINC000261961048	656128010	/nfs/dbraw/zinc/12/80/10/656128010.db2.gz	KFELSJABKGUTOK-WDEREUQCSA-N	2	1	269.393	-0.374	10	30		CBEEMP
C[C@@H](O)C[NH+]1CCN(C(=O)NC[C@H]2CCC[N@@H+]2C)CC1	ZINC000329238898	220334132	/nfs/dbraw/zinc/33/41/32/220334132.db2.gz	LOGJJFKPNWQJBA-CHWSQXEVSA-N	2	1	284.404	-0.007	10	30		CBEEMP
C[C@@H](O)C[NH+]1CCN(C(=O)NC[C@H]2CCC[N@H+]2C)CC1	ZINC000329238898	220334135	/nfs/dbraw/zinc/33/41/35/220334135.db2.gz	LOGJJFKPNWQJBA-CHWSQXEVSA-N	2	1	284.404	-0.007	10	30		CBEEMP
C[NH+]=C(NCC(=O)N(C)C)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C	ZINC000261971687	656127803	/nfs/dbraw/zinc/12/78/03/656127803.db2.gz	MZEXORWNFHSTDO-NWDGAFQWSA-N	2	1	283.420	-0.032	10	30		CBEEMP
C=CCNC(=O)NC(=O)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1	ZINC000261587825	220244276	/nfs/dbraw/zinc/24/42/76/220244276.db2.gz	JRXLSCHMJKVINU-AXFHLTTASA-N	2	1	266.345	-0.333	10	30		CBEEMP
C=CCNC(=O)NC(=O)C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1	ZINC000261587825	220244279	/nfs/dbraw/zinc/24/42/79/220244279.db2.gz	JRXLSCHMJKVINU-AXFHLTTASA-N	2	1	266.345	-0.333	10	30		CBEEMP
C=CCNC(=O)NC(=O)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1	ZINC000261587826	220244795	/nfs/dbraw/zinc/24/47/95/220244795.db2.gz	JRXLSCHMJKVINU-DCAQKATOSA-N	2	1	266.345	-0.333	10	30		CBEEMP
C=CCNC(=O)NC(=O)C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1	ZINC000261587826	220244798	/nfs/dbraw/zinc/24/47/98/220244798.db2.gz	JRXLSCHMJKVINU-DCAQKATOSA-N	2	1	266.345	-0.333	10	30		CBEEMP
C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CC(=O)NCC#N)CC1	ZINC000108867533	278395201	/nfs/dbraw/zinc/39/52/01/278395201.db2.gz	FLLPOPLPYGGGKQ-GFCCVEGCSA-N	2	1	282.388	-0.349	10	30		CBEEMP
CN[C@@H](C#N)CC[NH+]1CCN(CC[NH+](C)C)CC1	ZINC000062439173	522317388	/nfs/dbraw/zinc/31/73/88/522317388.db2.gz	WKKHHBYUEIAVPW-CYBMUJFWSA-N	2	1	253.394	-0.333	10	30		CBEEMP
C[NH+]=C(NCC(=O)N(C)C)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C	ZINC000261971689	656127575	/nfs/dbraw/zinc/12/75/75/656127575.db2.gz	MZEXORWNFHSTDO-VXGBXAGGSA-N	2	1	283.420	-0.032	10	30		CBEEMP
C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CC(=O)NCC#N)CC1	ZINC000108867530	290084305	/nfs/dbraw/zinc/08/43/05/290084305.db2.gz	FLLPOPLPYGGGKQ-LBPRGKRZSA-N	2	1	282.388	-0.349	10	30		CBEEMP
C=CCNC(=O)NC(=O)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1	ZINC000261587827	220244487	/nfs/dbraw/zinc/24/44/87/220244487.db2.gz	JRXLSCHMJKVINU-GARJFASQSA-N	2	1	266.345	-0.333	10	30		CBEEMP
C=CCNC(=O)NC(=O)C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1	ZINC000261587827	220244489	/nfs/dbraw/zinc/24/44/89/220244489.db2.gz	JRXLSCHMJKVINU-GARJFASQSA-N	2	1	266.345	-0.333	10	30		CBEEMP
C[C@@H](O)C[NH+]1CCN(C(=O)NC[C@@H]2CCC[N@@H+]2C)CC1	ZINC000329238934	220333569	/nfs/dbraw/zinc/33/35/69/220333569.db2.gz	LOGJJFKPNWQJBA-OLZOCXBDSA-N	2	1	284.404	-0.007	10	30		CBEEMP
C[C@@H](O)C[NH+]1CCN(C(=O)NC[C@@H]2CCC[N@H+]2C)CC1	ZINC000329238934	220333572	/nfs/dbraw/zinc/33/35/72/220333572.db2.gz	LOGJJFKPNWQJBA-OLZOCXBDSA-N	2	1	284.404	-0.007	10	30		CBEEMP
CN[C@H](C#N)CC[NH+]1CCN(CC[NH+](C)C)CC1	ZINC000062439171	522436329	/nfs/dbraw/zinc/43/63/29/522436329.db2.gz	WKKHHBYUEIAVPW-ZDUSSCGKSA-N	2	1	253.394	-0.333	10	30		CBEEMP
CNC(=O)CNC(N[C@@H]1C[N@H+](C(C)C)C[C@H]1C)=[NH+]C	ZINC000261961045	656128005	/nfs/dbraw/zinc/12/80/05/656128005.db2.gz	KFELSJABKGUTOK-GHMZBOCLSA-N	2	1	269.393	-0.374	10	30		CBEEMP
C[NH+]=C(NC[C@@H]1CN(C)CCO1)N[C@H]1CC[N@@H+](C2CC2)C1	ZINC000262735457	656133537	/nfs/dbraw/zinc/13/35/37/656133537.db2.gz	CMFKRZZBISABFR-GXTWGEPZSA-N	2	1	295.431	-0.281	10	30		CBEEMP
C[NH+]=C(NC[C@@H]1CN(C)CCO1)N[C@H]1CC[N@H+](C2CC2)C1	ZINC000262735457	656133539	/nfs/dbraw/zinc/13/35/39/656133539.db2.gz	CMFKRZZBISABFR-GXTWGEPZSA-N	2	1	295.431	-0.281	10	30		CBEEMP
C=CCNC(=O)NC(=O)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1	ZINC000261587828	220244633	/nfs/dbraw/zinc/24/46/33/220244633.db2.gz	JRXLSCHMJKVINU-HBNTYKKESA-N	2	1	266.345	-0.333	10	30		CBEEMP
C=CCNC(=O)NC(=O)C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1	ZINC000261587828	220244635	/nfs/dbraw/zinc/24/46/35/220244635.db2.gz	JRXLSCHMJKVINU-HBNTYKKESA-N	2	1	266.345	-0.333	10	30		CBEEMP
C[N@H+]1CCCN(CCNC(=[NH2+])NC[C@@H]2CCCO2)CC1	ZINC000261948082	220246400	/nfs/dbraw/zinc/24/64/00/220246400.db2.gz	GLXZDCRVMAXDAW-ZDUSSCGKSA-N	2	1	283.420	-0.293	10	30		CBEEMP
C=CCNC(=O)NC(=O)C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1	ZINC000601327624	355586274	/nfs/dbraw/zinc/58/62/74/355586274.db2.gz	XSMRJLVIYQMMRS-VHSXEESVSA-N	2	1	254.334	-0.475	10	30		CBEEMP
C=CCNC(=O)NC(=O)C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1	ZINC000601327624	355586277	/nfs/dbraw/zinc/58/62/77/355586277.db2.gz	XSMRJLVIYQMMRS-VHSXEESVSA-N	2	1	254.334	-0.475	10	30		CBEEMP