smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=C(C)/C=[NH+]/[C@H](C)CC(C)C	18102050	136407691	/nfs/dbraw/zinc/40/76/91/136407691.db2.gz	MBTDNJVYKSSQGU-UEUZTHOGSA-N	1	0	153.269	3.068	40	30		AGEBRO
C#C[C@H](C[C@@H](C)CC(C)(C)C)[NH+](C)C	1693483	166038693	/nfs/dbraw/zinc/03/86/93/166038693.db2.gz	QEROTBXHARNRBE-VXGBXAGGSA-N	1	0	195.350	3.012	40	30		AGEBRO
C#C[C@H](C[C@H](C)CC(C)(C)C)[NH+](C)C	1693482	166039836	/nfs/dbraw/zinc/03/98/36/166039836.db2.gz	QEROTBXHARNRBE-NWDGAFQWSA-N	1	0	195.350	3.012	40	30		AGEBRO
C(=[NH+]\C1CCCCC1)\c1ccccc1	96444089	166047554	/nfs/dbraw/zinc/04/75/54/166047554.db2.gz	QKSQEJXIILKPDX-KAMYIIQDSA-N	1	0	187.286	3.438	40	30		AGEBRO
C=C(C)/C=[NH+]/[C@@H](C)CC(C)C	18188623	166112572	/nfs/dbraw/zinc/11/25/72/166112572.db2.gz	MBTDNJVYKSSQGU-VUBLIPMDSA-N	1	0	153.269	3.068	40	30		AGEBRO
C=C(C)/C=[NH+]\[C@H](C)CC(C)C	104370293	166112630	/nfs/dbraw/zinc/11/26/30/166112630.db2.gz	MBTDNJVYKSSQGU-PAKSIRSJSA-N	1	0	153.269	3.068	40	30		AGEBRO
C=C(C)/C=[NH+]\[C@@H](C)CC(C)C	104370296	166112678	/nfs/dbraw/zinc/11/26/78/166112678.db2.gz	MBTDNJVYKSSQGU-QBQSQJOESA-N	1	0	153.269	3.068	40	30		AGEBRO
C=C(C)C[NH+](CC(=C)C)CC(=C)C	1665024	166117152	/nfs/dbraw/zinc/11/71/52/166117152.db2.gz	FXBJYRVIFGLPBC-UHFFFAOYSA-N	1	0	179.307	3.017	40	30		AGEBRO
C=C(C)C[NH2+]Cc1ccccc1Cl	41626108	166121926	/nfs/dbraw/zinc/12/19/26/166121926.db2.gz	QFQOXJKVHODUBE-UHFFFAOYSA-N	1	0	195.693	3.006	40	30		AGEBRO
C=C(C)C[NH2+][C@@H](C)C1CCCCC1	52336874	166122659	/nfs/dbraw/zinc/12/26/59/166122659.db2.gz	KJZMSBVNTKXBME-NSHDSACASA-N	1	0	181.323	3.121	40	30		AGEBRO
C=C(C)C[NH2+][C@@H](C)c1ccccc1C	49855314	166122976	/nfs/dbraw/zinc/12/29/76/166122976.db2.gz	OODPNSKCOHNHOZ-LBPRGKRZSA-N	1	0	189.302	3.222	40	30		AGEBRO
C=C(C)C[NH2+]C1CCCCCCC1	41582106	166123161	/nfs/dbraw/zinc/12/31/61/166123161.db2.gz	RGXBJTHAQJWSJE-UHFFFAOYSA-N	1	0	181.323	3.265	40	30		AGEBRO
C=C(C)C[NH2+][C@@H](CC)c1ccccc1	51753682	166123319	/nfs/dbraw/zinc/12/33/19/166123319.db2.gz	BROXBRRMDRNDCI-ZDUSSCGKSA-N	1	0	189.302	3.303	40	30		AGEBRO
C=C(C)C[NH2+][C@H](C)c1ccccc1C	49855312	166123445	/nfs/dbraw/zinc/12/34/45/166123445.db2.gz	OODPNSKCOHNHOZ-GFCCVEGCSA-N	1	0	189.302	3.222	40	30		AGEBRO
C=C(C)C[NH2+][C@H](CC)c1ccccc1	51753683	166123517	/nfs/dbraw/zinc/12/35/17/166123517.db2.gz	BROXBRRMDRNDCI-CYBMUJFWSA-N	1	0	189.302	3.303	40	30		AGEBRO
C=C(C)C[NH2+][C@H](C)C1CCCCC1	52336877	166123779	/nfs/dbraw/zinc/12/37/79/166123779.db2.gz	KJZMSBVNTKXBME-LLVKDONJSA-N	1	0	181.323	3.121	40	30		AGEBRO
C=CC/[NH+]=C1\C=C(C)CC(C)(C)C1	17301814	166161167	/nfs/dbraw/zinc/16/11/67/166161167.db2.gz	QKSABINCHDBILU-ACCUITESSA-N	1	0	177.291	3.380	40	30		AGEBRO
C=CC/[NH+]=C1/C=C(C)CC(C)(C)C1	104361605	166161332	/nfs/dbraw/zinc/16/13/32/166161332.db2.gz	QKSABINCHDBILU-QBFSEMIESA-N	1	0	177.291	3.380	40	30		AGEBRO
C=CCCC[NH2+][C@@H](C)c1ccccc1	38251574	166167237	/nfs/dbraw/zinc/16/72/37/166167237.db2.gz	VJDKPIIPMMQEEX-LBPRGKRZSA-N	1	0	189.302	3.303	40	30		AGEBRO
C=CC[NH2+]CCC1CCCCCC1	1562267	166187944	/nfs/dbraw/zinc/18/79/44/166187944.db2.gz	NNMYGDJKOKWVKG-UHFFFAOYSA-N	1	0	181.323	3.123	40	30		AGEBRO
C=CC[NH2+]Cc1cccc2ccccc12	6855933	166188018	/nfs/dbraw/zinc/18/80/18/166188018.db2.gz	FZYKMXDMHIZDEQ-UHFFFAOYSA-N	1	0	197.281	3.115	40	30		AGEBRO
C=CC[n+]1ccc(C(CC)CC)cc1	7985804	166206923	/nfs/dbraw/zinc/20/69/23/166206923.db2.gz	IYEOUEXZSDRUDX-UHFFFAOYSA-N	1	0	190.310	3.064	40	30		AGEBRO
C=C[C@H]1CCC=C2CCCC[C@@H]1[N@H+]2C	104277621	166221146	/nfs/dbraw/zinc/22/11/46/166221146.db2.gz	DRBGFVJMOQCZNC-AAEUAGOBSA-N	1	0	191.318	3.341	40	30		AGEBRO
CC(C)(C)[P+](=O)C(C)(C)C	38322217	166380581	/nfs/dbraw/zinc/38/05/81/166380581.db2.gz	QQSIRURWBGEHFS-UHFFFAOYSA-N	1	0	161.205	3.411	40	30		AGEBRO
CCCCC#CC[NH+](CCC)CCC	1666139	166841879	/nfs/dbraw/zinc/84/18/79/166841879.db2.gz	QOOCYLABIZRVEU-UHFFFAOYSA-N	1	0	195.350	3.302	40	30		AGEBRO
CCCCCCC[C@@H]([NH3+])CC	45328509	166851703	/nfs/dbraw/zinc/85/17/03/166851703.db2.gz	ABMPRVXXRMEXNQ-JTQLQIEISA-N	1	0	157.301	3.084	40	30		AGEBRO
C[S+]=c1sc2ccccc2s1	5886612	171018676	/nfs/dbraw/zinc/01/86/76/171018676.db2.gz	KPMASOTVMNCZMA-UHFFFAOYSA-N	1	0	199.345	3.207	40	30		AGEBRO
C=CCCC/C=C/C[NH+]1CCCCC1	3165088	171102346	/nfs/dbraw/zinc/10/23/46/171102346.db2.gz	VPOOFXQWESQLHA-SOFGYWHQSA-N	1	0	193.334	3.385	40	30		AGEBRO
C=CCCC/C=C/C[NH2+][C@@H](C)CC	5468665	171164721	/nfs/dbraw/zinc/16/47/21/171164721.db2.gz	VEOJJUCIWAZUAP-VMPCVLLUSA-N	1	0	181.323	3.287	40	30		AGEBRO
C=CCCC/C=C/C[NH2+][C@H](C)CC	5467776	171164999	/nfs/dbraw/zinc/16/49/99/171164999.db2.gz	VEOJJUCIWAZUAP-BZYZDCJZSA-N	1	0	181.323	3.287	40	30		AGEBRO
C=CCCC/C=C/C[NH2+]CCCC	5419861	171204848	/nfs/dbraw/zinc/20/48/48/171204848.db2.gz	LOEXQFLGBRUOSX-MDZDMXLPSA-N	1	0	181.323	3.289	40	30		AGEBRO
C=CCCC/C=C/C[NH+](CC)CC	5452965	171205058	/nfs/dbraw/zinc/20/50/58/171205058.db2.gz	ZDIDSJWITLGYFN-ZHACJKMWSA-N	1	0	181.323	3.241	40	30		AGEBRO
C=CCCC/C=C/C[NH2+]C(C)(C)C	5379652	207350910	/nfs/dbraw/zinc/35/09/10/207350910.db2.gz	HHXMAGUQDGARTP-MDZDMXLPSA-N	1	0	181.323	3.287	40	30		AGEBRO
CCCCCCC[C@H]([NH3+])CC	45328506	343272109	/nfs/dbraw/zinc/27/21/09/343272109.db2.gz	ABMPRVXXRMEXNQ-SNVBAGLBSA-N	1	0	157.301	3.084	40	30		AGEBRO
C[P+]1(Cc2ccccc2)CC=CC1	60169585	343351746	/nfs/dbraw/zinc/35/17/46/343351746.db2.gz	OMCQLSXGOOZGGO-UHFFFAOYSA-N	1	0	191.234	3.404	40	30		AGEBRO
C[P+]1(c2ccccc2)CCCCC1	73369081	343571036	/nfs/dbraw/zinc/57/10/36/343571036.db2.gz	LNMZPEDVQQOAFS-UHFFFAOYSA-N	1	0	193.250	3.143	40	30		AGEBRO
CCCCCCC[NH2+]CCCC	79630094	343590051	/nfs/dbraw/zinc/59/00/51/343590051.db2.gz	SHGMQLDBSFEOED-UHFFFAOYSA-N	1	0	171.328	3.347	40	30		AGEBRO
CCCC/[NH+]=C/[C@H]1CC=CCC1	104512098	343731947	/nfs/dbraw/zinc/73/19/47/343731947.db2.gz	SWWPFENYKAWIDN-OCUQMRJBSA-N	1	0	165.280	3.214	40	30		AGEBRO
CCCC/[NH+]=C/[C@@H]1CC=CCC1	104512103	343732165	/nfs/dbraw/zinc/73/21/65/343732165.db2.gz	SWWPFENYKAWIDN-KPMWUXBGSA-N	1	0	165.280	3.214	40	30		AGEBRO
CCC(CC)=[NH+]CCc1ccccc1	196243905	344356742	/nfs/dbraw/zinc/35/67/42/344356742.db2.gz	RGPPNSZFJRMVFW-UHFFFAOYSA-N	1	0	189.302	3.490	40	30		AGEBRO
CCCCCCC[NH2+]CC1CCC1	59191649	351580934	/nfs/dbraw/zinc/58/09/34/351580934.db2.gz	GEMRKSAVLJQSHL-UHFFFAOYSA-N	1	0	183.339	3.347	40	30		AGEBRO
C=CCC[NH2+]Cc1ccc(Cl)cc1	70591486	409428055	/nfs/dbraw/zinc/42/80/55/409428055.db2.gz	KYBIPVATEPYLKE-UHFFFAOYSA-N	1	0	195.693	3.006	40	30		AGEBRO
C=CCC[NH2+]Cc1ccccc1Cl	70591304	409428636	/nfs/dbraw/zinc/42/86/36/409428636.db2.gz	HXNISUYPOWSOSP-UHFFFAOYSA-N	1	0	195.693	3.006	40	30		AGEBRO
C=CCC[NH2+]Cc1cccc(Cl)c1	70592314	409430457	/nfs/dbraw/zinc/43/04/57/409430457.db2.gz	JNDLMMGZZYXSBH-UHFFFAOYSA-N	1	0	195.693	3.006	40	30		AGEBRO
CCCCCCC[NH2+]Cc1ccco1	100027142	520058571	/nfs/dbraw/zinc/05/85/71/520058571.db2.gz	IHFVDVPYIRDJKT-UHFFFAOYSA-N	1	0	195.306	3.340	40	30		AGEBRO