smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCC[C@H](CC)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C	ZINC000096478648	392256803	/nfs/dbraw/zinc/25/68/03/392256803.db2.gz	AXZHRQHCDXGCSK-HNSVSWJLSA-N	2	1	250.430	3.336	50	30		CGEAMP
C=CCC[C@H](CC)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C	ZINC000096478648	392256807	/nfs/dbraw/zinc/25/68/07/392256807.db2.gz	AXZHRQHCDXGCSK-HNSVSWJLSA-N	2	1	250.430	3.336	50	30		CGEAMP
C=CC[C@]1([NH2+]CCc2ccccc2)C[C@H](C)[N@H+](C)C[C@H]1C	ZINC000033936052	368971087	/nfs/dbraw/zinc/97/10/87/368971087.db2.gz	HOFFNRHAINUGIB-AOIWGVFYSA-N	2	1	286.463	3.494	50	30		CGEAMP
C=CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1	ZINC000095967378	185047160	/nfs/dbraw/zinc/04/71/60/185047160.db2.gz	AGJXUEDOJOXLFZ-ZIAGYGMSSA-N	2	1	284.407	3.266	50	30		CGEAMP
C[C@H]1C[C@H]([NH2+]CC2(CCC#N)CCCCC2)CC[N@H+]1C	ZINC000585118605	799678082	/nfs/dbraw/zinc/67/80/82/799678082.db2.gz	VORAXKZARBXOOS-JKSUJKDBSA-N	2	1	277.456	3.313	50	30		CGEAMP
C=C(C)[C@@H]1CC=C(CN2CCc3nc[nH]c3C2)CC1	ZINC000097766611	541995638	/nfs/dbraw/zinc/99/56/38/541995638.db2.gz	LQXINOCMRPFFSE-CQSZACIVSA-N	2	1	257.381	3.070	50	30		CGEAMP
C=CC[C@H](C)[C@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1	ZINC000095967375	185046929	/nfs/dbraw/zinc/04/69/29/185046929.db2.gz	AGJXUEDOJOXLFZ-KBPBESRZSA-N	2	1	284.407	3.266	50	30		CGEAMP
C=C(C)[C@H]1CC=C(C[N@H+](C)C2CCN(C)CC2)CC1	ZINC000006667519	368568892	/nfs/dbraw/zinc/56/88/92/368568892.db2.gz	DYWGCMXMWDNRNI-INIZCTEOSA-N	2	1	262.441	3.315	50	30		CGEAMP
C=C(C)[C@H]1CC=C(C[N@@H+](C)C2CC[NH+](C)CC2)CC1	ZINC000006667519	368568896	/nfs/dbraw/zinc/56/88/96/368568896.db2.gz	DYWGCMXMWDNRNI-INIZCTEOSA-N	2	1	262.441	3.315	50	30		CGEAMP
C=C(C)[C@H]1CC=C(C[N@H+](C)C2CC[NH+](C)CC2)CC1	ZINC000006667519	368568900	/nfs/dbraw/zinc/56/89/00/368568900.db2.gz	DYWGCMXMWDNRNI-INIZCTEOSA-N	2	1	262.441	3.315	50	30		CGEAMP
C=CC[C@]1([NH2+]CCc2ccccc2)C[C@@H](C)[N@H+](C)C[C@H]1C	ZINC000033936051	368971129	/nfs/dbraw/zinc/97/11/29/368971129.db2.gz	HOFFNRHAINUGIB-LMMKCTJWSA-N	2	1	286.463	3.494	50	30		CGEAMP
C=CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1	ZINC000095967377	185046802	/nfs/dbraw/zinc/04/68/02/185046802.db2.gz	AGJXUEDOJOXLFZ-KGLIPLIRSA-N	2	1	284.407	3.266	50	30		CGEAMP
CCC#CC[N@@H+](C)CC1CC[NH+](Cc2ccccc2)CC1	ZINC001529139945	938071129	/nfs/dbraw/zinc/07/11/29/938071129.db2.gz	ZAVBINLQVBTWQW-UHFFFAOYSA-N	2	1	284.447	3.244	50	30		CGEAMP
C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(C#N)(c2ccccc2)CC1	ZINC000244716267	376796721	/nfs/dbraw/zinc/79/67/21/376796721.db2.gz	LLZGBXPNMVDDDJ-GOSISDBHSA-N	2	1	297.446	3.028	50	30		CGEAMP
C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(C#N)(c2ccccc2)CC1	ZINC000244716267	376796728	/nfs/dbraw/zinc/79/67/28/376796728.db2.gz	LLZGBXPNMVDDDJ-GOSISDBHSA-N	2	1	297.446	3.028	50	30		CGEAMP
C=CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1	ZINC000095967376	185046200	/nfs/dbraw/zinc/04/62/00/185046200.db2.gz	AGJXUEDOJOXLFZ-UONOGXRCSA-N	2	1	284.407	3.266	50	30		CGEAMP
C=CC[C@@]1([NH2+]CCc2ccccc2)C[C@@H](C)[N@H+](C)C[C@H]1C	ZINC000033936049	368971039	/nfs/dbraw/zinc/97/10/39/368971039.db2.gz	HOFFNRHAINUGIB-ZHALLVOQSA-N	2	1	286.463	3.494	50	30		CGEAMP
C=C(C)[C@@H]1CC=C(C[N@@H+](C)C2CC[NH+](C)CC2)CC1	ZINC000004021449	368526853	/nfs/dbraw/zinc/52/68/53/368526853.db2.gz	DYWGCMXMWDNRNI-MRXNPFEDSA-N	2	1	262.441	3.315	50	30		CGEAMP
C=C(C)[C@@H]1CC=C(C[N@H+](C)C2CC[NH+](C)CC2)CC1	ZINC000004021449	368526857	/nfs/dbraw/zinc/52/68/57/368526857.db2.gz	DYWGCMXMWDNRNI-MRXNPFEDSA-N	2	1	262.441	3.315	50	30		CGEAMP
c1ccc2c(c1)NC(=[NH+]C1CCCCC1)C1(CC[NH2+]CC1)N2	ZINC000032918732	368952546	/nfs/dbraw/zinc/95/25/46/368952546.db2.gz	KHMXMSVLBXVBTI-UHFFFAOYSA-N	2	1	298.434	3.377	50	30		CGEAMP
C=CC[C@H](C)[C@@H](C)[NH2+]C1CC[NH+](CC(=C)C)CC1	ZINC000095422051	370188148	/nfs/dbraw/zinc/18/81/48/370188148.db2.gz	XLIHSVFINWTQGV-LSDHHAIUSA-N	2	1	250.430	3.217	50	30		CGEAMP
C=C(C)[C@@H]1CC=C(C[NH2+]CCCn2cc[nH+]c2C)CC1	ZINC000952867254	800684829	/nfs/dbraw/zinc/68/48/29/800684829.db2.gz	KSKNCGBQWXUAFE-QGZVFWFLSA-N	2	1	273.424	3.474	50	30		CGEAMP
C=CC[C@@H](C)[C@H](C)[NH2+]C1CC[NH+](CC(=C)C)CC1	ZINC000095422054	370188289	/nfs/dbraw/zinc/18/82/89/370188289.db2.gz	XLIHSVFINWTQGV-CABCVRRESA-N	2	1	250.430	3.217	50	30		CGEAMP
C=CC[C@]1([NH2+]CCc2ccccc2)C[C@H](C)[N@H+](C)C[C@@H]1C	ZINC000019462399	368754602	/nfs/dbraw/zinc/75/46/02/368754602.db2.gz	HOFFNRHAINUGIB-LNLFQRSKSA-N	2	1	286.463	3.494	50	30		CGEAMP
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	370296536	/nfs/dbraw/zinc/29/65/36/370296536.db2.gz	UZJBTDYQEKFJIC-TVFCKZIOSA-N	2	1	274.452	3.028	50	30		CGEAMP
N#Cc1ccccc1C[N@H+]1CCCC[C@@H]1CCn1ccnc1	ZINC000216161602	376159776	/nfs/dbraw/zinc/15/97/76/376159776.db2.gz	ATQJINZJNBAODA-GOSISDBHSA-N	2	1	294.402	3.200	50	30		CGEAMP
C=CC[C@@]1([NH2+]CCc2ccccc2)C[C@H](C)[N@H+](C)C[C@H]1C	ZINC000033936050	368971225	/nfs/dbraw/zinc/97/12/25/368971225.db2.gz	HOFFNRHAINUGIB-ZIFCJYIRSA-N	2	1	286.463	3.494	50	30		CGEAMP
CN(C)/C=[NH+]/c1sc2c(c1C#N)CC(C)(C)[NH2+]C2(C)C	ZINC000004863076	288929944	/nfs/dbraw/zinc/92/99/44/288929944.db2.gz	SYKJYPYTDCYZGE-RQZCQDPDSA-N	2	1	290.436	3.001	50	30		CGEAMP
C[N@@H+](CCC#N)CC1(C)CC[NH+](Cc2ccccc2)CC1	ZINC000095351043	370177654	/nfs/dbraw/zinc/17/76/54/370177654.db2.gz	SNTMAOYMNBPYGS-UHFFFAOYSA-N	2	1	285.435	3.134	50	30		CGEAMP
C[C@@H]1C[C@H]([NH2+]CC2(CCC#N)CCCCC2)CC[N@H+]1C	ZINC000585118604	799677961	/nfs/dbraw/zinc/67/79/61/799677961.db2.gz	VORAXKZARBXOOS-HZPDHXFCSA-N	2	1	277.456	3.313	50	30		CGEAMP
N#Cc1ccccc1C[N@H+]1CCCC[C@H]1CCn1ccnc1	ZINC000216161652	376158685	/nfs/dbraw/zinc/15/86/85/376158685.db2.gz	ATQJINZJNBAODA-SFHVURJKSA-N	2	1	294.402	3.200	50	30		CGEAMP
C[C@@H]1C[C@@H]([NH2+]CC2(CCC#N)CCCCC2)CC[N@H+]1C	ZINC000585118602	799677992	/nfs/dbraw/zinc/67/79/92/799677992.db2.gz	VORAXKZARBXOOS-CVEARBPZSA-N	2	1	277.456	3.313	50	30		CGEAMP
C[C@H]1C[C@@H]([NH2+]CC2(CCC#N)CCCCC2)CC[N@H+]1C	ZINC000585118603	799678167	/nfs/dbraw/zinc/67/81/67/799678167.db2.gz	VORAXKZARBXOOS-HOTGVXAUSA-N	2	1	277.456	3.313	50	30		CGEAMP
C[N@H+](CCC[NH+]1CCCCCC1)Cc1cccc(C#N)c1	ZINC001529118284	938071045	/nfs/dbraw/zinc/07/10/45/938071045.db2.gz	IVYCVBWVOVFWNU-UHFFFAOYSA-N	2	1	285.435	3.256	50	30		CGEAMP
C[N@@H+](CCC[NH+]1CCCCCC1)Cc1cccc(C#N)c1	ZINC001529118284	938071046	/nfs/dbraw/zinc/07/10/46/938071046.db2.gz	IVYCVBWVOVFWNU-UHFFFAOYSA-N	2	1	285.435	3.256	50	30		CGEAMP
C=CC[C@@H](C)[C@@H](C)[NH2+]C1CC[NH+](CC(=C)C)CC1	ZINC000095422052	370187895	/nfs/dbraw/zinc/18/78/95/370187895.db2.gz	XLIHSVFINWTQGV-HUUCEWRRSA-N	2	1	250.430	3.217	50	30		CGEAMP
C=CC[C@H](C)[C@H](C)[NH2+]C1CC[NH+](CC(=C)C)CC1	ZINC000095422053	370188908	/nfs/dbraw/zinc/18/89/08/370188908.db2.gz	XLIHSVFINWTQGV-GJZGRUSLSA-N	2	1	250.430	3.217	50	30		CGEAMP
C=CC[N@@H+](Cc1cccnc1)C[C@@H]1CCC[NH+]2CCCC[C@H]12	ZINC000055343000	518787286	/nfs/dbraw/zinc/78/72/86/518787286.db2.gz	ZFUZWFIGDZWKND-RBUKOAKNSA-N	2	1	299.462	3.334	50	30		CGEAMP
C=CC[N@H+](Cc1cccnc1)C[C@@H]1CCC[NH+]2CCCC[C@H]12	ZINC000055343000	518787292	/nfs/dbraw/zinc/78/72/92/518787292.db2.gz	ZFUZWFIGDZWKND-RBUKOAKNSA-N	2	1	299.462	3.334	50	30		CGEAMP
C=CC[NH+](Cc1cccnc1)C[C@@H]1CCC[N@@H+]2CCCC[C@H]12	ZINC000055343000	518787297	/nfs/dbraw/zinc/78/72/97/518787297.db2.gz	ZFUZWFIGDZWKND-RBUKOAKNSA-N	2	1	299.462	3.334	50	30		CGEAMP
C=CC[NH+](Cc1cccnc1)C[C@@H]1CCC[N@H+]2CCCC[C@H]12	ZINC000055343000	518787301	/nfs/dbraw/zinc/78/73/01/518787301.db2.gz	ZFUZWFIGDZWKND-RBUKOAKNSA-N	2	1	299.462	3.334	50	30		CGEAMP
C=CCC[C@@H](CC)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C	ZINC000096478650	392256524	/nfs/dbraw/zinc/25/65/24/392256524.db2.gz	AXZHRQHCDXGCSK-WZYMTQMTSA-N	2	1	250.430	3.336	50	30		CGEAMP
C=CCC[C@@H](CC)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C	ZINC000096478650	392256527	/nfs/dbraw/zinc/25/65/27/392256527.db2.gz	AXZHRQHCDXGCSK-WZYMTQMTSA-N	2	1	250.430	3.336	50	30		CGEAMP