smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCC[N@@H+](C)Cc1ncccc1O	164193184	757006848	/nfs/dbraw/zinc/00/68/48/757006848.db2.gz	GTRIKVRGSOKKKJ-UHFFFAOYSA-N	1	1	194.278	2.019	1	0		AEAFMO
C/C=C/[C@H]1CCC[C@@H](C)[N@H+]1C	85531564	560073204	/nfs/dbraw/zinc/07/32/04/560073204.db2.gz	UVKUWGGXJQCLHT-HANDCERCSA-N	1	1	153.269	2.435	1	0	biogenic,in-vitro	AEAFMO
CC(C)[N@@H+](C)C1Cc2ccccc2C1	27855049	1169065627	/nfs/dbraw/zinc/06/56/27/1169065627.db2.gz	VIKSKFWKHBZMCS-UHFFFAOYSA-N	1	1	189.302	2.494	1	0		AEAFMO
Cc1cccnc1C1=CC[N@@H+](C)CC1	36237986	1169074087	/nfs/dbraw/zinc/07/40/87/1169074087.db2.gz	PBTQEIWIXICWQO-UHFFFAOYSA-N	1	1	188.274	2.109	1	0		AEAFMO
CCc1cc(C)[nH+]c(C)c1	13232914	1188765793	/nfs/dbraw/zinc/76/57/93/1188765793.db2.gz	YFCLFEIWFHJNFU-UHFFFAOYSA-N	1	1	135.210	2.261	1	0		AEAFMO
C1=C(c2ccoc2)C2CC[NH+]1CC2	17162	166075047	/nfs/dbraw/zinc/07/50/47/166075047.db2.gz	WCFNSNXDLBZFFK-UHFFFAOYSA-N	1	1	175.231	2.346	1	0		AEAFMO
C1=Cc2c([nH]c3ccccc23)C[NH2+]1	100705615	166079192	/nfs/dbraw/zinc/07/91/92/166079192.db2.gz	BIAPMJDDPWPHOP-UHFFFAOYSA-N	1	1	170.215	2.242	1	0		AEAFMO
C=C=CC[N@H+](C)Cc1ccccc1	2018321	166152753	/nfs/dbraw/zinc/15/27/53/166152753.db2.gz	PQOJGRQWTLRKFM-UHFFFAOYSA-N	1	1	173.259	2.460	1	0		AEAFMO
C=C=CC[N@H+]1CCc2ccccc2C1	25988571	166152913	/nfs/dbraw/zinc/15/29/13/166152913.db2.gz	RVALEHIOZKRMKW-UHFFFAOYSA-N	1	1	185.270	2.386	1	0		AEAFMO
CCCc1cc([C@H]2CCC[N@H+]2C)on1	8088	167102336	/nfs/dbraw/zinc/10/23/36/167102336.db2.gz	UBZWBZVKCYZDPE-SNVBAGLBSA-N	1	1	194.278	2.394	1	0		AEAFMO
CC[N@@H+](C)CCc1cncc(Cl)c1	28524726	167140048	/nfs/dbraw/zinc/14/00/48/167140048.db2.gz	XOZJOBNIXYZTMA-UHFFFAOYSA-N	1	1	198.697	2.229	1	0		AEAFMO
CC[N@@H+](C)CCc1ccc(Cl)nc1	28526526	167142590	/nfs/dbraw/zinc/14/25/90/167142590.db2.gz	JKOQYYPZTNWHAE-UHFFFAOYSA-N	1	1	198.697	2.229	1	0		AEAFMO
CC[N@@H+](C)[C@@H]1CCCc2ccncc21	27181116	167144921	/nfs/dbraw/zinc/14/49/21/167144921.db2.gz	GPCVUHGDQJVKPL-GFCCVEGCSA-N	1	1	190.290	2.411	1	0		AEAFMO
CC[N@H+](C)Cc1cnccc1Cl	26156876	167145087	/nfs/dbraw/zinc/14/50/87/167145087.db2.gz	OSRRHVSNAZXWGI-UHFFFAOYSA-N	1	1	184.670	2.187	1	0		AEAFMO
CC[N@@H+](C)Cc1cnccc1Cl	26156876	167145090	/nfs/dbraw/zinc/14/50/90/167145090.db2.gz	OSRRHVSNAZXWGI-UHFFFAOYSA-N	1	1	184.670	2.187	1	0		AEAFMO
CC[N@@H+](C)[C@H]1CCCc2ccncc21	27181122	167150792	/nfs/dbraw/zinc/15/07/92/167150792.db2.gz	GPCVUHGDQJVKPL-LBPRGKRZSA-N	1	1	190.290	2.411	1	0		AEAFMO
Nc1cc2c(c[nH+]1)Cc1ccccc1-2	40379063	169288835	/nfs/dbraw/zinc/28/88/35/169288835.db2.gz	GYYPVLDBDUUKBB-UHFFFAOYSA-N	1	1	182.226	2.235	1	0		AEAFMO
c1cnc2c(c1)CC[N@@H+]1CCCC[C@@H]21	27728112	171046511	/nfs/dbraw/zinc/04/65/11/171046511.db2.gz	JWBLYAGFFUSJCB-NSHDSACASA-N	1	1	188.274	2.165	1	0		AEAFMO
c1cnc2c(c1)CC[N@@H+]1CCCC[C@H]21	27728117	171046584	/nfs/dbraw/zinc/04/65/84/171046584.db2.gz	JWBLYAGFFUSJCB-LLVKDONJSA-N	1	1	188.274	2.165	1	0		AEAFMO
C[N@H+]1CC12C1CC3CC(C1)CC2C3	28900959	171048001	/nfs/dbraw/zinc/04/80/01/171048001.db2.gz	UDPMPUCFFSBXKS-UHFFFAOYSA-N	1	1	177.291	2.127	1	0		AEAFMO
C[N@H+]1CC=C(c2ccc(F)cc2)C1	40421660	171080540	/nfs/dbraw/zinc/08/05/40/171080540.db2.gz	PYIRSTZYFTYOPL-UHFFFAOYSA-N	1	1	177.222	2.155	1	0		AEAFMO
C[N@@H+]1CC=C(C(C)(C)C)CC1	5351707	171221463	/nfs/dbraw/zinc/22/14/63/171221463.db2.gz	OIYHBEVTDGYUAU-UHFFFAOYSA-N	1	1	153.269	2.294	1	0		AEAFMO
CN1c2ccccc2C[N@@H+]2CCC[C@H]12	95574221	524036099	/nfs/dbraw/zinc/03/60/99/524036099.db2.gz	DWBAFMVPHMOVBS-GFCCVEGCSA-N	1	1	188.274	2.058	1	0		AEAFMO
CN1c2ccccc2C[N@@H+]2CCC[C@@H]12	195456068	524036120	/nfs/dbraw/zinc/03/61/20/524036120.db2.gz	DWBAFMVPHMOVBS-LBPRGKRZSA-N	1	1	188.274	2.058	1	0		AEAFMO