smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)[C@H](C)[N@H+](C)Cc1ccc(OC)c(C)c1	ZINC000160503157	370073051	/nfs/dbraw/zinc/07/30/51/370073051.db2.gz	JMCRRMVTAIUPGR-NSHDSACASA-N	1	2	251.326	1.997	40	70		CDIBLO
COC(=O)[C@H](C)[N@@H+](C)Cc1ccc(OC)c(C)c1	ZINC000160503157	370073055	/nfs/dbraw/zinc/07/30/55/370073055.db2.gz	JMCRRMVTAIUPGR-NSHDSACASA-N	1	2	251.326	1.997	40	70		CDIBLO
CCc1ncnc(N[C@H](C)C[NH+]2CCOCC2)c1F	ZINC000217974489	362698206	/nfs/dbraw/zinc/69/82/06/362698206.db2.gz	JNKIONWTKAABBE-SNVBAGLBSA-N	1	2	268.336	1.311	40	70		CDIBLO
COC(=O)[C@@H](C)[N@H+](C)Cc1ccc(OC)c(C)c1	ZINC000160503290	370073956	/nfs/dbraw/zinc/07/39/56/370073956.db2.gz	JMCRRMVTAIUPGR-LLVKDONJSA-N	1	2	251.326	1.997	40	70		CDIBLO
COC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(OC)c(C)c1	ZINC000160503290	370073959	/nfs/dbraw/zinc/07/39/59/370073959.db2.gz	JMCRRMVTAIUPGR-LLVKDONJSA-N	1	2	251.326	1.997	40	70		CDIBLO
CC(C)c1nsc(N2CCC[C@H]2C[NH+]2CCOCC2)n1	ZINC000160387606	364956458	/nfs/dbraw/zinc/95/64/58/364956458.db2.gz	XEXZPWKTZWWABQ-LBPRGKRZSA-N	1	2	296.440	1.963	40	70		CDIBLO
CCc1nsc(N2CCC[C@H]2C[NH+]2CCOCC2)n1	ZINC000160403362	365001148	/nfs/dbraw/zinc/00/11/48/365001148.db2.gz	GEAFTCLNNQUNIV-NSHDSACASA-N	1	2	282.413	1.402	40	70		CDIBLO
COC(C[N@@H+]1CCO[C@H](c2ccccc2C)C1)OC	ZINC000161245042	367805641	/nfs/dbraw/zinc/80/56/41/367805641.db2.gz	GALMQZHJWJLNAJ-AWEZNQCLSA-N	1	2	265.353	1.987	40	70		CDIBLO
COC(C[N@H+]1CCO[C@H](c2ccccc2C)C1)OC	ZINC000161245042	367805649	/nfs/dbraw/zinc/80/56/49/367805649.db2.gz	GALMQZHJWJLNAJ-AWEZNQCLSA-N	1	2	265.353	1.987	40	70		CDIBLO
CC(C)c1nsc(N2CCC[C@@H]2C[NH+]2CCOCC2)n1	ZINC000160387493	364956536	/nfs/dbraw/zinc/95/65/36/364956536.db2.gz	XEXZPWKTZWWABQ-GFCCVEGCSA-N	1	2	296.440	1.963	40	70		CDIBLO
CCc1nsc(N2CCC[C@@H]2C[NH+]2CCOCC2)n1	ZINC000160403239	365000284	/nfs/dbraw/zinc/00/02/84/365000284.db2.gz	GEAFTCLNNQUNIV-LLVKDONJSA-N	1	2	282.413	1.402	40	70		CDIBLO
CCc1ncnc(N2CCC[C@H]2C[NH+]2CCOCC2)c1F	ZINC000160423388	369299511	/nfs/dbraw/zinc/29/95/11/369299511.db2.gz	MUJXOFPSIQPULA-LBPRGKRZSA-N	1	2	294.374	1.479	40	70		CDIBLO
CCc1ncnc(N2CCC[C@@H]2C[NH+]2CCOCC2)c1F	ZINC000160423259	369298834	/nfs/dbraw/zinc/29/88/34/369298834.db2.gz	MUJXOFPSIQPULA-GFCCVEGCSA-N	1	2	294.374	1.479	40	70		CDIBLO
Cc1cc(NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)no1	ZINC000161505905	392730854	/nfs/dbraw/zinc/73/08/54/392730854.db2.gz	PVBFERFUHKONIR-VIFPVBQESA-N	1	2	260.297	1.758	40	70		CDIBLO
Cc1cc(NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)no1	ZINC000161505905	392730859	/nfs/dbraw/zinc/73/08/59/392730859.db2.gz	PVBFERFUHKONIR-VIFPVBQESA-N	1	2	260.297	1.758	40	70		CDIBLO
COC(C[N@@H+]1CCO[C@@H](c2ccccc2C)C1)OC	ZINC000161245160	367805976	/nfs/dbraw/zinc/80/59/76/367805976.db2.gz	GALMQZHJWJLNAJ-CQSZACIVSA-N	1	2	265.353	1.987	40	70		CDIBLO
COC(C[N@H+]1CCO[C@@H](c2ccccc2C)C1)OC	ZINC000161245160	367805977	/nfs/dbraw/zinc/80/59/77/367805977.db2.gz	GALMQZHJWJLNAJ-CQSZACIVSA-N	1	2	265.353	1.987	40	70		CDIBLO
S=C(NCCCn1cc[nH+]c1)Nc1ccncc1	ZINC000217865880	359029877	/nfs/dbraw/zinc/02/98/77/359029877.db2.gz	GRLWHNVYTUWKLQ-UHFFFAOYSA-N	1	2	261.354	1.655	40	70		CDIBLO
Cc1cc(NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)no1	ZINC000161505807	392730821	/nfs/dbraw/zinc/73/08/21/392730821.db2.gz	PVBFERFUHKONIR-SECBINFHSA-N	1	2	260.297	1.758	40	70		CDIBLO
Cc1cc(NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)no1	ZINC000161505807	392730826	/nfs/dbraw/zinc/73/08/26/392730826.db2.gz	PVBFERFUHKONIR-SECBINFHSA-N	1	2	260.297	1.758	40	70		CDIBLO
CCc1ncnc(N[C@@H](C)C[NH+]2CCOCC2)c1F	ZINC000217974413	367259437	/nfs/dbraw/zinc/25/94/37/367259437.db2.gz	JNKIONWTKAABBE-JTQLQIEISA-N	1	2	268.336	1.311	40	70		CDIBLO