smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2ccccc2C#N)C1	ZINC000091594194	180201890	/nfs/dbraw/zinc/20/18/90/180201890.db2.gz	MUFRAODROAGDAU-KRWDZBQOSA-N	2	2	294.402	3.154	50	30		CGEALP
CCn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2ccccc2C#N)C1	ZINC000091594194	180201891	/nfs/dbraw/zinc/20/18/91/180201891.db2.gz	MUFRAODROAGDAU-KRWDZBQOSA-N	2	2	294.402	3.154	50	30		CGEALP
CCC#CC[N@@H+]1CCC[C@H](c2[nH+]ccn2C(C)C)C1	ZINC000095367100	370178978	/nfs/dbraw/zinc/17/89/78/370178978.db2.gz	NQABWYQBZQLTQZ-HNNXBMFYSA-N	2	2	259.397	3.057	50	30		CGEALP
CCC#CC[N@H+]1CCC[C@H](c2[nH+]ccn2C(C)C)C1	ZINC000095367100	370178981	/nfs/dbraw/zinc/17/89/81/370178981.db2.gz	NQABWYQBZQLTQZ-HNNXBMFYSA-N	2	2	259.397	3.057	50	30		CGEALP
C[C@H]([NH2+]C1CCC(C#N)CC1)[C@@H](c1ccccc1)[NH+](C)C	ZINC000585116992	378397384	/nfs/dbraw/zinc/39/73/84/378397384.db2.gz	OMDWQTQCZDBJFN-OBHHBEAMSA-N	2	2	285.435	3.350	50	30		CGEALP
Cc1[nH+]c2ccccc2n1CC[NH2+]Cc1cccc(C#N)c1	ZINC000053138531	369478515	/nfs/dbraw/zinc/47/85/15/369478515.db2.gz	FENOYWJDNOYVOU-UHFFFAOYSA-N	2	2	290.370	3.006	50	30		CGEALP
C/[NH+]=C(\SC)N1CCC(c2[nH]c3ccccc3[nH+]2)CC1	ZINC000096027844	185067282	/nfs/dbraw/zinc/06/72/82/185067282.db2.gz	SZYLUQWKXOTHRM-NXVVXOECSA-N	2	2	288.420	3.091	50	30		CGEALP
C=CC[C@@H](C)[C@@H](C)[NH2+]CCc1cn2ccccc2[nH+]1	ZINC000095419949	370187032	/nfs/dbraw/zinc/18/70/32/370187032.db2.gz	ZSWSATUNAVUCDO-ZIAGYGMSSA-N	2	2	257.381	3.067	50	30		CGEALP
C=CC[NH+]1CCC([NH2+][C@H]2CCCc3sccc32)CC1	ZINC000096477249	275427469	/nfs/dbraw/zinc/42/74/69/275427469.db2.gz	KHTNPHYAWNMNFV-HNNXBMFYSA-N	2	2	276.449	3.366	50	30		CGEALP
C=CC[C@@H](C)[C@H](C)[NH2+]CCc1cn2ccccc2[nH+]1	ZINC000095419951	370187139	/nfs/dbraw/zinc/18/71/39/370187139.db2.gz	ZSWSATUNAVUCDO-KGLIPLIRSA-N	2	2	257.381	3.067	50	30		CGEALP
C=C(C)[C@@H]1CC=C(C[N@@H+]2CCc3[nH+]c[nH]c3C2)CC1	ZINC000097766611	541995642	/nfs/dbraw/zinc/99/56/42/541995642.db2.gz	LQXINOCMRPFFSE-CQSZACIVSA-N	2	2	257.381	3.070	50	30		CGEALP
C=C(C)[C@@H]1CC=C(C[N@H+]2CCc3[nH+]c[nH]c3C2)CC1	ZINC000097766611	541995647	/nfs/dbraw/zinc/99/56/47/541995647.db2.gz	LQXINOCMRPFFSE-CQSZACIVSA-N	2	2	257.381	3.070	50	30		CGEALP
C=CC[N@H+](CCCn1cc[nH+]c1)Cc1ccsc1	ZINC001506404273	937989622	/nfs/dbraw/zinc/98/96/22/937989622.db2.gz	GSSZEJMSJLBPIY-UHFFFAOYSA-N	2	2	261.394	3.023	50	30		CGEALP
C=CC[N@@H+](CCCn1cc[nH+]c1)Cc1ccsc1	ZINC001506404273	937989623	/nfs/dbraw/zinc/98/96/23/937989623.db2.gz	GSSZEJMSJLBPIY-UHFFFAOYSA-N	2	2	261.394	3.023	50	30		CGEALP
CCn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2ccccc2C#N)C1	ZINC000091594192	180201821	/nfs/dbraw/zinc/20/18/21/180201821.db2.gz	MUFRAODROAGDAU-QGZVFWFLSA-N	2	2	294.402	3.154	50	30		CGEALP
CCn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2ccccc2C#N)C1	ZINC000091594192	180201824	/nfs/dbraw/zinc/20/18/24/180201824.db2.gz	MUFRAODROAGDAU-QGZVFWFLSA-N	2	2	294.402	3.154	50	30		CGEALP
C[C@@H]([NH2+]C1CCC(C#N)CC1)[C@@H](c1ccccc1)[NH+](C)C	ZINC000585116993	378396907	/nfs/dbraw/zinc/39/69/07/378396907.db2.gz	OMDWQTQCZDBJFN-RYKRPPSOSA-N	2	2	285.435	3.350	50	30		CGEALP
CC[C@H](C)[N@H+](CC#Cc1ccccc1)Cc1[nH]c[nH+]c1C	ZINC000055036855	523924251	/nfs/dbraw/zinc/92/42/51/523924251.db2.gz	LEIOTLCSMOQSHJ-HNNXBMFYSA-N	2	2	281.403	3.370	50	30		CGEALP
CC[C@H](C)[N@@H+](CC#Cc1ccccc1)Cc1[nH]c[nH+]c1C	ZINC000055036855	523924254	/nfs/dbraw/zinc/92/42/54/523924254.db2.gz	LEIOTLCSMOQSHJ-HNNXBMFYSA-N	2	2	281.403	3.370	50	30		CGEALP
C=CC[NH+]1CCC([NH2+][C@@H]2CCCOc3ccccc32)CC1	ZINC000089893975	370048917	/nfs/dbraw/zinc/04/89/17/370048917.db2.gz	BSUCVSNAVNXVCP-QGZVFWFLSA-N	2	2	286.419	3.140	50	30		CGEALP
N#C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)C1	ZINC000170081290	372633992	/nfs/dbraw/zinc/63/39/92/372633992.db2.gz	HQEILDBGHWNEFM-QZTJIDSGSA-N	2	2	294.402	3.103	50	30		CGEALP
N#C[C@H]1CCC[C@H]([NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)C1	ZINC000170081288	372634972	/nfs/dbraw/zinc/63/49/72/372634972.db2.gz	HQEILDBGHWNEFM-ROUUACIJSA-N	2	2	294.402	3.103	50	30		CGEALP
C[C@H]([NH2+]C1CCC(C#N)CC1)[C@H](c1ccccc1)[NH+](C)C	ZINC000585116991	378397313	/nfs/dbraw/zinc/39/73/13/378397313.db2.gz	OMDWQTQCZDBJFN-HRSCSKTISA-N	2	2	285.435	3.350	50	30		CGEALP
N#C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)C1	ZINC000170081293	372635009	/nfs/dbraw/zinc/63/50/09/372635009.db2.gz	HQEILDBGHWNEFM-MSOLQXFVSA-N	2	2	294.402	3.103	50	30		CGEALP
C[C@@H]([NH2+]C1CCC(C#N)CC1)[C@H](c1ccccc1)[NH+](C)C	ZINC000585116994	378397441	/nfs/dbraw/zinc/39/74/41/378397441.db2.gz	OMDWQTQCZDBJFN-VSVYTNTFSA-N	2	2	285.435	3.350	50	30		CGEALP
C=CC[NH+]1CCC([NH2+][C@H]2CCSc3ccccc32)CC1	ZINC000089893980	370048818	/nfs/dbraw/zinc/04/88/18/370048818.db2.gz	NYOMYSMXPJLXEL-INIZCTEOSA-N	2	2	288.460	3.464	50	30		CGEALP
C=CCc1cc(C[NH2+]CCc2c[nH]c[nH+]2)ccc1OC(C)C	ZINC000065506515	369681340	/nfs/dbraw/zinc/68/13/40/369681340.db2.gz	IKUCVCIGMIVTGF-UHFFFAOYSA-N	2	2	299.418	3.258	50	30		CGEALP
C=CCc1cc(C[NH2+]CCc2c[nH+]c[nH]2)ccc1OC(C)C	ZINC000065506515	369681343	/nfs/dbraw/zinc/68/13/43/369681343.db2.gz	IKUCVCIGMIVTGF-UHFFFAOYSA-N	2	2	299.418	3.258	50	30		CGEALP
CCC#CC[N@@H+]1CCC[C@@H](c2[nH+]ccn2C(C)C)C1	ZINC000095367101	370179061	/nfs/dbraw/zinc/17/90/61/370179061.db2.gz	NQABWYQBZQLTQZ-OAHLLOKOSA-N	2	2	259.397	3.057	50	30		CGEALP
CCC#CC[N@H+]1CCC[C@@H](c2[nH+]ccn2C(C)C)C1	ZINC000095367101	370179066	/nfs/dbraw/zinc/17/90/66/370179066.db2.gz	NQABWYQBZQLTQZ-OAHLLOKOSA-N	2	2	259.397	3.057	50	30		CGEALP
N#Cc1ccccc1C[N@H+]1CCCC[C@@H]1CCn1cc[nH+]c1	ZINC000216161602	376159792	/nfs/dbraw/zinc/15/97/92/376159792.db2.gz	ATQJINZJNBAODA-GOSISDBHSA-N	2	2	294.402	3.200	50	30		CGEALP
C=CC[NH+]1CCC([NH2+][C@@H]2CCCc3sccc32)CC1	ZINC000096477247	275427548	/nfs/dbraw/zinc/42/75/48/275427548.db2.gz	KHTNPHYAWNMNFV-OAHLLOKOSA-N	2	2	276.449	3.366	50	30		CGEALP
N#C[C@H]1CCC[C@@H]([NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)C1	ZINC000170081286	372634773	/nfs/dbraw/zinc/63/47/73/372634773.db2.gz	HQEILDBGHWNEFM-ZWKOTPCHSA-N	2	2	294.402	3.103	50	30		CGEALP
Cc1ccc([NH+]=C2NC(=[NH2+])c3ccccc32)cc1Cl	ZINC000015224343	391933373	/nfs/dbraw/zinc/93/33/73/391933373.db2.gz	GPOHSPFFIFGXHM-UHFFFAOYSA-N	2	2	269.735	3.446	50	30		CGEALP
C=CC[NH+]1CCC([NH2+][C@H]2CCCOc3ccccc32)CC1	ZINC000089893976	370048858	/nfs/dbraw/zinc/04/88/58/370048858.db2.gz	BSUCVSNAVNXVCP-KRWDZBQOSA-N	2	2	286.419	3.140	50	30		CGEALP
C=CC[C@H](C)[C@H](C)[NH2+]CCc1cn2ccccc2[nH+]1	ZINC000095419950	370186946	/nfs/dbraw/zinc/18/69/46/370186946.db2.gz	ZSWSATUNAVUCDO-KBPBESRZSA-N	2	2	257.381	3.067	50	30		CGEALP
N#Cc1ccccc1C[N@H+]1CCCC[C@H]1CCn1cc[nH+]c1	ZINC000216161652	376158696	/nfs/dbraw/zinc/15/86/96/376158696.db2.gz	ATQJINZJNBAODA-SFHVURJKSA-N	2	2	294.402	3.200	50	30		CGEALP
Oc1ccccc1/C=[NH+]/CCC/[NH+]=C/c1ccccc1O	ZINC000016998582	230371785	/nfs/dbraw/zinc/37/17/85/230371785.db2.gz	KLDZYURQCUYZBL-KLCVKJMQSA-N	2	2	282.343	3.026	50	30		CGEALP
CCC(CC)(CCC#N)C[N@@H+]1CCC[NH+]2CCC[C@@H]2C1	ZINC000032597665	368937169	/nfs/dbraw/zinc/93/71/69/368937169.db2.gz	KHDVIYYMVIDGLN-MRXNPFEDSA-N	2	2	277.456	3.267	50	30		CGEALP
CCC(CC)(CCC#N)C[N@H+]1CCC[NH+]2CCC[C@@H]2C1	ZINC000032597665	368937174	/nfs/dbraw/zinc/93/71/74/368937174.db2.gz	KHDVIYYMVIDGLN-MRXNPFEDSA-N	2	2	277.456	3.267	50	30		CGEALP
CCC(CC)(CCC#N)C[NH+]1CCC[N@@H+]2CCC[C@@H]2C1	ZINC000032597665	368937181	/nfs/dbraw/zinc/93/71/81/368937181.db2.gz	KHDVIYYMVIDGLN-MRXNPFEDSA-N	2	2	277.456	3.267	50	30		CGEALP
CCC(CC)(CCC#N)C[NH+]1CCC[N@H+]2CCC[C@@H]2C1	ZINC000032597665	368937188	/nfs/dbraw/zinc/93/71/88/368937188.db2.gz	KHDVIYYMVIDGLN-MRXNPFEDSA-N	2	2	277.456	3.267	50	30		CGEALP
C=CC[NH+]1CCC([NH2+][C@@H]2CCSc3ccccc32)CC1	ZINC000089893979	370049261	/nfs/dbraw/zinc/04/92/61/370049261.db2.gz	NYOMYSMXPJLXEL-MRXNPFEDSA-N	2	2	288.460	3.464	50	30		CGEALP
CCC(CC)(CCC#N)C[N@@H+]1CCC[NH+]2CCC[C@H]2C1	ZINC000248229220	346374877	/nfs/dbraw/zinc/37/48/77/346374877.db2.gz	KHDVIYYMVIDGLN-INIZCTEOSA-N	2	2	277.456	3.267	50	30		CGEALP
CCC(CC)(CCC#N)C[N@H+]1CCC[NH+]2CCC[C@H]2C1	ZINC000248229220	346374880	/nfs/dbraw/zinc/37/48/80/346374880.db2.gz	KHDVIYYMVIDGLN-INIZCTEOSA-N	2	2	277.456	3.267	50	30		CGEALP
CCC(CC)(CCC#N)C[NH+]1CCC[N@@H+]2CCC[C@H]2C1	ZINC000248229220	346374882	/nfs/dbraw/zinc/37/48/82/346374882.db2.gz	KHDVIYYMVIDGLN-INIZCTEOSA-N	2	2	277.456	3.267	50	30		CGEALP
CCC(CC)(CCC#N)C[NH+]1CCC[N@H+]2CCC[C@H]2C1	ZINC000248229220	346374883	/nfs/dbraw/zinc/37/48/83/346374883.db2.gz	KHDVIYYMVIDGLN-INIZCTEOSA-N	2	2	277.456	3.267	50	30		CGEALP
N#Cc1ccc(C[NH+]2CCC([NH+]3CCCCC3)CC2)cc1	ZINC000040444265	174264040	/nfs/dbraw/zinc/26/40/40/174264040.db2.gz	PZADOKSVUOWYJK-UHFFFAOYSA-N	2	2	283.419	3.009	50	30		CGEALP
COc1ccc([NH+]=C2NC(=[NH2+])c3ccccc32)cc1Cl	ZINC000016275841	368711094	/nfs/dbraw/zinc/71/10/94/368711094.db2.gz	CQSFCYBFRWZTNW-UHFFFAOYSA-N	2	2	285.734	3.146	50	30		CGEALP
C=CC[C@H](C)[C@@H](C)[NH2+]CCc1cn2ccccc2[nH+]1	ZINC000095419948	370187279	/nfs/dbraw/zinc/18/72/79/370187279.db2.gz	ZSWSATUNAVUCDO-UONOGXRCSA-N	2	2	257.381	3.067	50	30		CGEALP
C[N@H+](Cc1ccccc1C#N)C1CC(C)(C)[NH2+]C(C)(C)C1	ZINC000065421982	369675412	/nfs/dbraw/zinc/67/54/12/369675412.db2.gz	VQMCSACYBWWOEE-UHFFFAOYSA-N	2	2	285.435	3.299	50	30		CGEALP
C[N@@H+](Cc1ccccc1C#N)C1CC(C)(C)[NH2+]C(C)(C)C1	ZINC000065421982	369675416	/nfs/dbraw/zinc/67/54/16/369675416.db2.gz	VQMCSACYBWWOEE-UHFFFAOYSA-N	2	2	285.435	3.299	50	30		CGEALP
CC[C@@H](C)[N@H+](CC#Cc1ccccc1)Cc1[nH]c[nH+]c1C	ZINC000055036854	522066319	/nfs/dbraw/zinc/06/63/19/522066319.db2.gz	LEIOTLCSMOQSHJ-OAHLLOKOSA-N	2	2	281.403	3.370	50	30		CGEALP
CC[C@@H](C)[N@@H+](CC#Cc1ccccc1)Cc1[nH]c[nH+]c1C	ZINC000055036854	522066329	/nfs/dbraw/zinc/06/63/29/522066329.db2.gz	LEIOTLCSMOQSHJ-OAHLLOKOSA-N	2	2	281.403	3.370	50	30		CGEALP