smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(C(=O)CC[NH+]2CCC(Cc3[nH+]ccn3C)CC2)cc1	ZINC000159433191	455376492	/nfs/dbraw/zinc/37/64/92/455376492.db2.gz	OCOULOWMTDSNTP-UHFFFAOYSA-N	2	1	325.456	3.256	10	70		EGIEMP
CCC(CC)(C[NH3+])C(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1	ZINC000161301938	455557557	/nfs/dbraw/zinc/55/75/57/455557557.db2.gz	ZDWTUNVCJGHFGY-CQSZACIVSA-N	2	1	328.460	3.123	10	70		EGIEMP
CCOCCC[N@H+]1CC[C@@H]([NH2+]CCCc2cccc(F)c2)[C@H](C)C1	ZINC000159764572	206262325	/nfs/dbraw/zinc/26/23/25/206262325.db2.gz	QCDRPBSDODCUOV-YLJYHZDGSA-N	2	1	336.495	3.485	10	70		EGIEMP
O=C(CC1CCCC1)NC1CC[NH+](CCC[NH+]2CCCCC2)CC1	ZINC000161353827	455561994	/nfs/dbraw/zinc/56/19/94/455561994.db2.gz	LSCPFKHJSQWKPI-UHFFFAOYSA-N	2	1	335.536	3.023	10	70		EGIEMP
O=C(NC1CC[NH+](CCC[NH+]2CCCCC2)CC1)C1CCCCC1	ZINC000161424664	455569362	/nfs/dbraw/zinc/56/93/62/455569362.db2.gz	AUWYOKSIOQCONE-UHFFFAOYSA-N	2	1	335.536	3.023	10	70		EGIEMP
COc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)cc1NC(C)=O	ZINC000161102638	295238808	/nfs/dbraw/zinc/23/88/08/295238808.db2.gz	JUIPHNCIBAIPAG-JQFCIGGWSA-N	2	1	333.476	3.177	10	70		EGIEMP
C[N@@H+](CCN1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)Cc1ccc(F)cc1	ZINC000160926479	455513914	/nfs/dbraw/zinc/51/39/14/455513914.db2.gz	QZBYKXULYXHNBJ-WIYYLYMNSA-N	2	1	345.506	3.206	10	70		EGIEMP
C[NH+](CCN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)Cc1ccc(F)cc1	ZINC000160926479	455513918	/nfs/dbraw/zinc/51/39/18/455513918.db2.gz	QZBYKXULYXHNBJ-WIYYLYMNSA-N	2	1	345.506	3.206	10	70		EGIEMP
C[NH+](CCN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)Cc1ccc(F)cc1	ZINC000160926479	455513919	/nfs/dbraw/zinc/51/39/19/455513919.db2.gz	QZBYKXULYXHNBJ-WIYYLYMNSA-N	2	1	345.506	3.206	10	70		EGIEMP
CC[N@@H+](Cc1ccc(C(=O)N[C@@H]2C[NH+](C(C)C)C[C@@H]2C)cc1)C(C)C	ZINC000161115804	279235348	/nfs/dbraw/zinc/23/53/48/279235348.db2.gz	PQVIUWVEUMIYMS-FXAWDEMLSA-N	2	1	345.531	3.375	10	70		EGIEMP
CC[NH+](Cc1ccc(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1)C(C)C	ZINC000161115804	279235351	/nfs/dbraw/zinc/23/53/51/279235351.db2.gz	PQVIUWVEUMIYMS-FXAWDEMLSA-N	2	1	345.531	3.375	10	70		EGIEMP
CC[NH+](Cc1ccc(C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)cc1)C(C)C	ZINC000161115804	279235352	/nfs/dbraw/zinc/23/53/52/279235352.db2.gz	PQVIUWVEUMIYMS-FXAWDEMLSA-N	2	1	345.531	3.375	10	70		EGIEMP
C[N@H+](Cc1ccc(Br)c(F)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2	ZINC000161488800	455574568	/nfs/dbraw/zinc/57/45/68/455574568.db2.gz	OYBROMCMSJWDAR-FUNVUKJBSA-N	2	1	327.241	3.303	10	70		EGIEMP
C[N@@H+](Cc1ccc(Br)c(F)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2	ZINC000161488800	455574572	/nfs/dbraw/zinc/57/45/72/455574572.db2.gz	OYBROMCMSJWDAR-FUNVUKJBSA-N	2	1	327.241	3.303	10	70		EGIEMP
C[N@@H+](CCN1CC[C@H](C[NH+]2CCCCC2)C1)Cc1ccc(F)cc1	ZINC000159823671	455407374	/nfs/dbraw/zinc/40/73/74/455407374.db2.gz	VTJNQKPEGKMEIC-LJQANCHMSA-N	2	1	333.495	3.065	10	70		EGIEMP
COc1cc(OC)cc([C@H]2CC[N@@H+](CCC[NH+]3CCCCC3)C2)c1	ZINC000161478287	455574002	/nfs/dbraw/zinc/57/40/02/455574002.db2.gz	LJMCXLPHFDSWNB-KRWDZBQOSA-N	2	1	332.488	3.369	10	70		EGIEMP
COc1cc(OC)cc([C@@H]2CC[N@@H+](CCC[NH+]3CCCCC3)C2)c1	ZINC000161478154	455573876	/nfs/dbraw/zinc/57/38/76/455573876.db2.gz	LJMCXLPHFDSWNB-QGZVFWFLSA-N	2	1	332.488	3.369	10	70		EGIEMP
CCC(CC)(C[NH3+])C(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1	ZINC000161301820	528649918	/nfs/dbraw/zinc/64/99/18/528649918.db2.gz	ZDWTUNVCJGHFGY-AWEZNQCLSA-N	2	1	328.460	3.123	10	70		EGIEMP
C[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(Cc3c(F)cccc3F)C2)CC[N@@H+]1C	ZINC000161114154	455535952	/nfs/dbraw/zinc/53/59/52/455535952.db2.gz	SYLCOIXUYBOBPQ-BZUAXINKSA-N	2	1	337.458	3.002	10	70		EGIEMP
C[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(Cc3c(F)cccc3F)C2)CC[N@H+]1C	ZINC000161114154	455535956	/nfs/dbraw/zinc/53/59/56/455535956.db2.gz	SYLCOIXUYBOBPQ-BZUAXINKSA-N	2	1	337.458	3.002	10	70		EGIEMP
Fc1ccc2c(c1)CC[C@H]2[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1	ZINC000160567289	455475045	/nfs/dbraw/zinc/47/50/45/455475045.db2.gz	VOVSUSVGTQUIOK-OAQYLSRUSA-N	2	1	340.442	3.435	10	70		EGIEMP
CC(C)CC[C@@](C)(O)C[NH2+]C1CC[NH+](CCc2ccccc2)CC1	ZINC000159362812	307872695	/nfs/dbraw/zinc/87/26/95/307872695.db2.gz	MKNDCYGKXACHLU-OAQYLSRUSA-N	2	1	332.532	3.470	10	70		EGIEMP
CC(C)CC[C@](C)(O)C[NH2+]C1CC[NH+](CCc2ccccc2)CC1	ZINC000159362680	455372447	/nfs/dbraw/zinc/37/24/47/455372447.db2.gz	MKNDCYGKXACHLU-NRFANRHFSA-N	2	1	332.532	3.470	10	70		EGIEMP
COc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)cc1NC(C)=O	ZINC000161102417	286370077	/nfs/dbraw/zinc/37/00/77/286370077.db2.gz	JUIPHNCIBAIPAG-XKQJLSEDSA-N	2	1	333.476	3.177	10	70		EGIEMP
C[NH2+]CCC1CC[NH+](Cc2ccc(Br)c(F)c2)CC1	ZINC000161499432	455575351	/nfs/dbraw/zinc/57/53/51/455575351.db2.gz	GESNJIRUNGQXKW-UHFFFAOYSA-N	2	1	329.257	3.410	10	70		EGIEMP
Cc1ccc2c(c1)[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)CCCO2	ZINC000160711828	455491195	/nfs/dbraw/zinc/49/11/95/455491195.db2.gz	ORHHNLTYZOSOFO-MJGOQNOKSA-N	2	1	332.488	3.035	10	70		EGIEMP
CCC(CC)(C[NH3+])C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1	ZINC000161294114	455556735	/nfs/dbraw/zinc/55/67/35/455556735.db2.gz	YFKNPRPBQFENGB-YQQQUEKLSA-N	2	1	343.515	3.063	10	70		EGIEMP
CC[NH2+]CC1CC[NH+](Cc2ccc(Br)c(F)c2)CC1	ZINC000161508741	455576623	/nfs/dbraw/zinc/57/66/23/455576623.db2.gz	KZAWUNPFFDWSGV-UHFFFAOYSA-N	2	1	329.257	3.410	10	70		EGIEMP
CCOCCC[N@H+]1CC[C@H]([NH2+]CCCc2cccc(F)c2)[C@H](C)C1	ZINC000159764443	528669651	/nfs/dbraw/zinc/66/96/51/528669651.db2.gz	QCDRPBSDODCUOV-XLIONFOSSA-N	2	1	336.495	3.485	10	70		EGIEMP
C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(Cc3c(F)cccc3F)C2)CC[N@@H+]1C	ZINC000161114381	455536170	/nfs/dbraw/zinc/53/61/70/455536170.db2.gz	SYLCOIXUYBOBPQ-OWCLPIDISA-N	2	1	337.458	3.002	10	70		EGIEMP
C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(Cc3c(F)cccc3F)C2)CC[N@H+]1C	ZINC000161114381	455536174	/nfs/dbraw/zinc/53/61/74/455536174.db2.gz	SYLCOIXUYBOBPQ-OWCLPIDISA-N	2	1	337.458	3.002	10	70		EGIEMP
C[N@@H+](CCN1CC[NH+](C2CCCCC2)CC1)Cc1ccc(F)cc1	ZINC000160292790	455445035	/nfs/dbraw/zinc/44/50/35/455445035.db2.gz	PKVRQJULUDVRDJ-UHFFFAOYSA-N	2	1	333.495	3.208	10	70		EGIEMP
CC[N@@H+](Cc1ccc(C(=O)N[C@H]2C[NH+](C(C)C)C[C@@H]2C)cc1)C(C)C	ZINC000161115937	279235951	/nfs/dbraw/zinc/23/59/51/279235951.db2.gz	PQVIUWVEUMIYMS-PXNSSMCTSA-N	2	1	345.531	3.375	10	70		EGIEMP
CC[NH+](Cc1ccc(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1)C(C)C	ZINC000161115937	279235952	/nfs/dbraw/zinc/23/59/52/279235952.db2.gz	PQVIUWVEUMIYMS-PXNSSMCTSA-N	2	1	345.531	3.375	10	70		EGIEMP
CC[NH+](Cc1ccc(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)cc1)C(C)C	ZINC000161115937	279235953	/nfs/dbraw/zinc/23/59/53/279235953.db2.gz	PQVIUWVEUMIYMS-PXNSSMCTSA-N	2	1	345.531	3.375	10	70		EGIEMP
Cc1ccc2c(c1)[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)CCCO2	ZINC000160711720	292367570	/nfs/dbraw/zinc/36/75/70/292367570.db2.gz	ORHHNLTYZOSOFO-IEBWSBKVSA-N	2	1	332.488	3.035	10	70		EGIEMP
Fc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1	ZINC000160567392	455474851	/nfs/dbraw/zinc/47/48/51/455474851.db2.gz	VOVSUSVGTQUIOK-NRFANRHFSA-N	2	1	340.442	3.435	10	70		EGIEMP