smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#C[C@H]1CCC[C@H]([NH2+]Cc2cccc(C[NH+]3CCCC3)c2)C1	ZINC000185881135	230395663	/nfs/dbraw/zinc/39/56/63/230395663.db2.gz	JMJYTHQXNQTBRR-LPHOPBHVSA-N	2	0	297.446	3.454	50	30		CGEARP
C[NH+](C)/C=C/C=C/C=C1/CCC/C(=C\C=C\[NH+](C)C)C1=O	ZINC000049586603	392054741	/nfs/dbraw/zinc/05/47/41/392054741.db2.gz	NRJNKEWIQGWMPD-PFKLRJQQSA-N	2	0	286.419	3.299	50	30	biogenic	CGEARP
C=CC[C@]1([NH2+]CCc2ccccc2)C[C@@H](C)[N@@H+](C)C[C@@H]1C	ZINC000002384438	368453476	/nfs/dbraw/zinc/45/34/76/368453476.db2.gz	HOFFNRHAINUGIB-SCTDSRPQSA-N	2	0	286.463	3.494	50	30		CGEARP
N#C[C@@H]1CCC[C@H]([NH2+]Cc2cccc(C[NH+]3CCCC3)c2)C1	ZINC000185881167	230395794	/nfs/dbraw/zinc/39/57/94/230395794.db2.gz	JMJYTHQXNQTBRR-APWZRJJASA-N	2	0	297.446	3.454	50	30		CGEARP
C=CC[C@]1([NH2+]CCc2ccccc2)C[C@H](C)[N@@H+](C)C[C@H]1C	ZINC000033936052	368971081	/nfs/dbraw/zinc/97/10/81/368971081.db2.gz	HOFFNRHAINUGIB-AOIWGVFYSA-N	2	0	286.463	3.494	50	30		CGEARP
C(=[NH+]/CCCCCC/[NH+]=C\c1ccc[nH]1)\c1ccc[nH]1	ZINC000109860809	397653660	/nfs/dbraw/zinc/65/36/60/397653660.db2.gz	OIHKYKARHKYIAS-SIJTWYJSSA-N	2	0	270.380	3.441	50	30		CGEARP
C[C@H]1C[C@H]([NH2+]CC2(CCC#N)CCCCC2)CC[N@@H+]1C	ZINC000585118605	799678078	/nfs/dbraw/zinc/67/80/78/799678078.db2.gz	VORAXKZARBXOOS-JKSUJKDBSA-N	2	0	277.456	3.313	50	30		CGEARP
CC(C)(CCC#N)C[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1	ZINC000097095572	392260117	/nfs/dbraw/zinc/26/01/17/392260117.db2.gz	ZZGKDCVDIWBIDH-UHFFFAOYSA-N	2	0	265.445	3.215	50	30		CGEARP
C=CC[C@]1([NH2+]CCc2ccccc2)C[C@@H](C)[N@@H+](C)C[C@H]1C	ZINC000033936051	368971127	/nfs/dbraw/zinc/97/11/27/368971127.db2.gz	HOFFNRHAINUGIB-LMMKCTJWSA-N	2	0	286.463	3.494	50	30		CGEARP
CCC#CC[N@H+](C)CC1CC[NH+](Cc2ccccc2)CC1	ZINC001529139945	938071128	/nfs/dbraw/zinc/07/11/28/938071128.db2.gz	ZAVBINLQVBTWQW-UHFFFAOYSA-N	2	0	284.447	3.244	50	30		CGEARP
C=CC[C@@]1([NH2+]CCc2ccccc2)C[C@@H](C)[N@@H+](C)C[C@H]1C	ZINC000033936049	368971033	/nfs/dbraw/zinc/97/10/33/368971033.db2.gz	HOFFNRHAINUGIB-ZHALLVOQSA-N	2	0	286.463	3.494	50	30		CGEARP
CCC#CC[NH+]1CCC(c2nccn2CC2CCC2)CC1	ZINC000091321807	180134779	/nfs/dbraw/zinc/13/47/79/180134779.db2.gz	CDYRMTRJPJFKCB-UHFFFAOYSA-N	2	0	285.435	3.276	50	30		CGEARP
C[NH+](C)/C=C/C=C/C=C1\CCC/C(=C\C=C\[NH+](C)C)C1=O	ZINC000013892639	391931303	/nfs/dbraw/zinc/93/13/03/391931303.db2.gz	NRJNKEWIQGWMPD-SUMPGDTDSA-N	2	0	286.419	3.299	50	30		CGEARP
C=CC[C@]1([NH2+]CCc2ccccc2)C[C@H](C)[N@@H+](C)C[C@@H]1C	ZINC000019462399	368754591	/nfs/dbraw/zinc/75/45/91/368754591.db2.gz	HOFFNRHAINUGIB-LNLFQRSKSA-N	2	0	286.463	3.494	50	30		CGEARP
C=C(C)[C@@H]1CC=C(C[N@@H+]2C[C@@H]3[C@@H](C[NH+](C)C)[C@@H]3C2)CC1	ZINC000101787994	370296530	/nfs/dbraw/zinc/29/65/30/370296530.db2.gz	UZJBTDYQEKFJIC-TVFCKZIOSA-N	2	0	274.452	3.028	50	30		CGEARP
N#Cc1ccccc1C[N@@H+]1CCCC[C@@H]1CCn1ccnc1	ZINC000216161602	376159768	/nfs/dbraw/zinc/15/97/68/376159768.db2.gz	ATQJINZJNBAODA-GOSISDBHSA-N	2	0	294.402	3.200	50	30		CGEARP
C=CC[C@@]1([NH2+]CCc2ccccc2)C[C@H](C)[N@@H+](C)C[C@H]1C	ZINC000033936050	368971222	/nfs/dbraw/zinc/97/12/22/368971222.db2.gz	HOFFNRHAINUGIB-ZIFCJYIRSA-N	2	0	286.463	3.494	50	30		CGEARP
CC[NH+](CC)CC#Cc1ccc(C#CC[NH+](CC)CC)cc1	ZINC000006891326	619380770	/nfs/dbraw/zinc/38/07/70/619380770.db2.gz	RHVAPCYFRNSUFX-UHFFFAOYSA-N	2	0	296.458	3.073	50	30		CGEARP
C[N@H+](CCC#N)CC1(C)CC[NH+](Cc2ccccc2)CC1	ZINC000095351043	370177648	/nfs/dbraw/zinc/17/76/48/370177648.db2.gz	SNTMAOYMNBPYGS-UHFFFAOYSA-N	2	0	285.435	3.134	50	30		CGEARP
C=CCC1([NH2+]Cc2ccccc2)CC[NH+](CC)CC1	ZINC000068728339	518691181	/nfs/dbraw/zinc/69/11/81/518691181.db2.gz	WPVUQERBZHTOEV-UHFFFAOYSA-N	2	0	258.409	3.207	50	30		CGEARP
N#C[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(C[NH+]3CCCC3)c2)C1	ZINC000185881151	230395738	/nfs/dbraw/zinc/39/57/38/230395738.db2.gz	JMJYTHQXNQTBRR-VQIMIIECSA-N	2	0	297.446	3.454	50	30		CGEARP
C[NH+](C)C(C)(C)C#CCCCCC#CC(C)(C)[NH+](C)C	ZINC000001880807	368440553	/nfs/dbraw/zinc/44/05/53/368440553.db2.gz	WKMMWLWEQOCOKG-UHFFFAOYSA-N	2	0	276.468	3.234	50	30		CGEARP
C[C@@H]1C[C@H]([NH2+]CC2(CCC#N)CCCCC2)CC[N@@H+]1C	ZINC000585118604	799677953	/nfs/dbraw/zinc/67/79/53/799677953.db2.gz	VORAXKZARBXOOS-HZPDHXFCSA-N	2	0	277.456	3.313	50	30		CGEARP
C=CC[N+]1(C/C=C/C)CC[N+](CC=C)(C/C=C/C)CC1	ZINC000001875088	527227712	/nfs/dbraw/zinc/22/77/12/527227712.db2.gz	NQVNNVPRLQBYOC-NXZHAISVSA-N	2	0	276.468	3.158	50	30		CGEARP
N#C[C@H]1CCC[C@@H]([NH2+]Cc2cccc(C[NH+]3CCCC3)c2)C1	ZINC000185881115	534748861	/nfs/dbraw/zinc/74/88/61/534748861.db2.gz	JMJYTHQXNQTBRR-QFBILLFUSA-N	2	0	297.446	3.454	50	30		CGEARP
N#Cc1ccccc1C[N@@H+]1CCCC[C@H]1CCn1ccnc1	ZINC000216161652	376158675	/nfs/dbraw/zinc/15/86/75/376158675.db2.gz	ATQJINZJNBAODA-SFHVURJKSA-N	2	0	294.402	3.200	50	30		CGEARP
C[C@@H]1C[C@@H]([NH2+]CC2(CCC#N)CCCCC2)CC[N@@H+]1C	ZINC000585118602	799677988	/nfs/dbraw/zinc/67/79/88/799677988.db2.gz	VORAXKZARBXOOS-CVEARBPZSA-N	2	0	277.456	3.313	50	30		CGEARP
C[C@H]1C[C@@H]([NH2+]CC2(CCC#N)CCCCC2)CC[N@@H+]1C	ZINC000585118603	799678165	/nfs/dbraw/zinc/67/81/65/799678165.db2.gz	VORAXKZARBXOOS-HOTGVXAUSA-N	2	0	277.456	3.313	50	30		CGEARP
C[N@@H+]1CCCC2(CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1	ZINC000215990900	376154887	/nfs/dbraw/zinc/15/48/87/376154887.db2.gz	HDHGPXJQFAEYKP-UHFFFAOYSA-N	2	0	297.446	3.256	50	30		CGEARP
C(=[NH+]\CCCCCC/[NH+]=C\c1ccc[nH]1)\c1ccc[nH]1	ZINC000109860805	397653452	/nfs/dbraw/zinc/65/34/52/397653452.db2.gz	OIHKYKARHKYIAS-JTFWXBGUSA-N	2	0	270.380	3.441	50	30		CGEARP
N#Cc1cccc(C[NH+]2CCC(C[NH+]3CCCCC3)CC2)c1	ZINC000065407248	369673612	/nfs/dbraw/zinc/67/36/12/369673612.db2.gz	PODAYRGYELWGFJ-UHFFFAOYSA-N	2	0	297.446	3.256	50	30		CGEARP
CC[NH+](CC)CC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000047973831	369332768	/nfs/dbraw/zinc/33/27/68/369332768.db2.gz	LFSYKVMKCRRZKB-UHFFFAOYSA-N	2	0	285.435	3.112	50	30		CGEARP
C[NH+](C)/C=C/C=C/C(=O)c1ccc(/C=C/C=C/[NH+](C)C)o1	ZINC000022340883	618134352	/nfs/dbraw/zinc/13/43/52/618134352.db2.gz	OBRGHJYOEHTECD-UUHARDOTSA-N	2	0	286.375	3.182	50	30		CGEARP