smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC[C@@H](C)[N@@H+](C)[C@@H](C)CCC[NH3+]	216744158	572000695	/nfs/dbraw/zinc/00/06/95/572000695.db2.gz	VYSXISKHNIJINQ-VHSXEESVSA-N	2	1	188.315	1.081	10	70		ADIEMP
CCC[C@@H](C[NH2+]CC)[NH+]1CCCC1	216710743	571947433	/nfs/dbraw/zinc/94/74/33/571947433.db2.gz	HUNYOSGLAINSHL-NSHDSACASA-N	2	1	184.327	1.860	10	70		ADIEMP
CCC[C@H](C[NH2+]CC)[NH+]1CCCC1	216710791	571948266	/nfs/dbraw/zinc/94/82/66/571948266.db2.gz	HUNYOSGLAINSHL-LLVKDONJSA-N	2	1	184.327	1.860	10	70		ADIEMP
C[C@H]([NH3+])[C@H]1CC[N@@H+](CCC2CC2)C1	160611350	571952507	/nfs/dbraw/zinc/95/25/07/571952507.db2.gz	FBCFILQGQIEPBS-ONGXEEELSA-N	2	1	182.311	1.456	10	70		ADIEMP
CCC[C@H](C)C[NH2+]CC[NH2+]CC	161321312	486979544	/nfs/dbraw/zinc/97/95/44/486979544.db2.gz	ZXTDVUNKHLGPIJ-JTQLQIEISA-N	2	1	172.316	1.622	10	70		ADIEMP
C[NH2+]CC[NH2+]CC1CCC(C)CC1	161245690	486979688	/nfs/dbraw/zinc/97/96/88/486979688.db2.gz	JIEYRLJRMRZYEY-UHFFFAOYSA-N	2	1	184.327	1.622	10	70		ADIEMP
CCC[C@@H](C)C[NH2+]CC[NH2+]C	161273135	486979849	/nfs/dbraw/zinc/97/98/49/486979849.db2.gz	RMOJEYVAYVRMQY-SECBINFHSA-N	2	1	158.289	1.232	10	70		ADIEMP
CCC[C@H](C)C[NH2+]CC[NH2+]C	161273283	486980163	/nfs/dbraw/zinc/98/01/63/486980163.db2.gz	RMOJEYVAYVRMQY-VIFPVBQESA-N	2	1	158.289	1.232	10	70		ADIEMP
CCC[C@@H](C)C[NH2+]CC[NH2+]CC	161321180	486980289	/nfs/dbraw/zinc/98/02/89/486980289.db2.gz	ZXTDVUNKHLGPIJ-SNVBAGLBSA-N	2	1	172.316	1.622	10	70		ADIEMP
C[NH2+]C[C@@H]1CCC[N@H+]([C@@H](C)C(C)C)C1	218067651	490069279	/nfs/dbraw/zinc/06/92/79/490069279.db2.gz	PWFLYUHVMMHMDG-RYUDHWBXSA-N	2	1	198.354	1.962	10	70		ADIEMP
CC[C@H](C(N)=[NH2+])[N@H+]1CCC[C@@H](C)CC1	216821358	344399837	/nfs/dbraw/zinc/39/98/37/344399837.db2.gz	MXOFATUDUADRMD-NXEZZACHSA-N	2	1	197.326	1.823	10	70		ADIEMP
COC(=[NH2+])C1C[C@@H]2CC[C@H](C1)[N@@H+]2C	160440446	344166267	/nfs/dbraw/zinc/16/62/67/344166267.db2.gz	IIXMISXKTFIPRE-CBLAIPOGSA-N	2	1	182.267	1.483	10	70		ADIEMP
COC(=[NH2+])C1C[C@@H]2CC[C@H](C1)[N@H+]2C	160440446	344166269	/nfs/dbraw/zinc/16/62/69/344166269.db2.gz	IIXMISXKTFIPRE-CBLAIPOGSA-N	2	1	182.267	1.483	10	70		ADIEMP
CCNC(=[NH2+])C1C[C@@H]2CC[C@H](C1)[N@H+]2C	160441658	344166312	/nfs/dbraw/zinc/16/63/12/344166312.db2.gz	OGEKEUSJWLOIKX-PBINXNQUSA-N	2	1	195.310	1.446	10	70		ADIEMP
CNC(=[NH2+])C1C[C@@H]2CC[C@H](C1)[N@H+]2C	160441394	344166404	/nfs/dbraw/zinc/16/64/04/344166404.db2.gz	JIJSLCXIPOAELN-CBLAIPOGSA-N	2	1	181.283	1.056	10	70		ADIEMP
C[C@@H]1CCC[N@@H+]([C@H](C)C(N)=[NH2+])CC1	216821446	344399723	/nfs/dbraw/zinc/39/97/23/344399723.db2.gz	VORXBZGSSIWPLR-RKDXNWHRSA-N	2	1	183.299	1.433	10	70		ADIEMP
C[C@@H]1CCC[N@H+]([C@H](C)C(N)=[NH2+])CC1	216821446	344399726	/nfs/dbraw/zinc/39/97/26/344399726.db2.gz	VORXBZGSSIWPLR-RKDXNWHRSA-N	2	1	183.299	1.433	10	70		ADIEMP
CC[C@H](C(N)=[NH2+])[N@@H+]1CCC[C@@H](C)CC1	216821358	344399836	/nfs/dbraw/zinc/39/98/36/344399836.db2.gz	MXOFATUDUADRMD-NXEZZACHSA-N	2	1	197.326	1.823	10	70		ADIEMP
C[C@@H]1CCC[N@H+]([C@H](C)CC(N)=[NH2+])CC1	216821172	344399758	/nfs/dbraw/zinc/39/97/58/344399758.db2.gz	XXOMGSBARQAACC-NXEZZACHSA-N	2	1	197.326	1.823	10	70		ADIEMP
CC[C@@H](C(N)=[NH2+])[N@@H+]1CCC[C@@H](C)CC1	216821395	344399888	/nfs/dbraw/zinc/39/98/88/344399888.db2.gz	MXOFATUDUADRMD-ZJUUUORDSA-N	2	1	197.326	1.823	10	70		ADIEMP
CC[C@@H](C(N)=[NH2+])[N@H+]1CCC[C@@H](C)CC1	216821395	344399889	/nfs/dbraw/zinc/39/98/89/344399889.db2.gz	MXOFATUDUADRMD-ZJUUUORDSA-N	2	1	197.326	1.823	10	70		ADIEMP
CC[C@H](CSC)[NH2+][C@H]1CC[NH2+]C1	217327972	344400708	/nfs/dbraw/zinc/40/07/08/344400708.db2.gz	LCNZKLZGRHUXCE-BDAKNGLRSA-N	2	1	188.340	1.080	10	70		ADIEMP
CC[C@H](CSC)[NH2+][C@@H]1CC[NH2+]C1	217327969	344400729	/nfs/dbraw/zinc/40/07/29/344400729.db2.gz	LCNZKLZGRHUXCE-RKDXNWHRSA-N	2	1	188.340	1.080	10	70		ADIEMP
CC[C@@H](CSC)[NH2+][C@@H]1CC[NH2+]C1	217327967	344400733	/nfs/dbraw/zinc/40/07/33/344400733.db2.gz	LCNZKLZGRHUXCE-DTWKUNHWSA-N	2	1	188.340	1.080	10	70		ADIEMP
CC[C@@H](CSC)[NH2+][C@H]1CC[NH2+]C1	217327971	344400855	/nfs/dbraw/zinc/40/08/55/344400855.db2.gz	LCNZKLZGRHUXCE-IUCAKERBSA-N	2	1	188.340	1.080	10	70		ADIEMP