smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)[C@H](CO)[NH+]1CCC([NH2+][C@H](c2ccc(Cl)cc2)c2cccnc2)CC1	ZINC000072185109	205317549	/nfs/dbraw/zinc/31/75/49/205317549.db2.gz	PQCPJVRAIZRTDD-FCHUYYIVSA-N	2	2	387.955	3.895	1	0		GHAFLP
CC[NH+]1CCC(n2nc(Cc3cccc4ccccc43)c3c2nc[nH+]c3N)CC1	ZINC000071295519	205280512	/nfs/dbraw/zinc/28/05/12/205280512.db2.gz	BSGWEWBSWAVORO-UHFFFAOYSA-N	2	2	386.503	3.809	1	0		GHAFLP
Cc1ccc(NC(=O)N2CC[NH+](C[C@@H]3CCC[N@@H+](C4CC4)C3)CC2)cc1Cl	ZINC000084708999	205399568	/nfs/dbraw/zinc/39/95/68/205399568.db2.gz	UYGVZNATVIIKQC-KRWDZBQOSA-N	2	2	390.959	3.672	1	0		GHAFLP
Cc1ccc(NC(=O)N2CC[NH+](C[C@@H]3CCC[N@H+](C4CC4)C3)CC2)cc1Cl	ZINC000084708999	205399570	/nfs/dbraw/zinc/39/95/70/205399570.db2.gz	UYGVZNATVIIKQC-KRWDZBQOSA-N	2	2	390.959	3.672	1	0		GHAFLP
Cc1[nH+]c2ccccc2n1-c1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)cc1	ZINC000072123247	205306901	/nfs/dbraw/zinc/30/69/01/205306901.db2.gz	WWWTVBVPLAQHEV-HXUWFJFHSA-N	2	2	376.504	3.889	1	0		GHAFLP
Cc1[nH+]c2ccccc2n1-c1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)cc1	ZINC000072123247	205306905	/nfs/dbraw/zinc/30/69/05/205306905.db2.gz	WWWTVBVPLAQHEV-HXUWFJFHSA-N	2	2	376.504	3.889	1	0		GHAFLP
C[NH+](C)CCCn1c2ccccc2nc1C[N@H+](C)[C@@H]1CCCc2cccnc21	ZINC000045256503	205094924	/nfs/dbraw/zinc/09/49/24/205094924.db2.gz	JEPDGRCNPREMJT-OAQYLSRUSA-N	2	2	377.536	3.892	1	0		GHAFLP
C[NH+](C)CCCn1c2ccccc2nc1C[N@@H+](C)[C@@H]1CCCc2cccnc21	ZINC000045256503	205094930	/nfs/dbraw/zinc/09/49/30/205094930.db2.gz	JEPDGRCNPREMJT-OAQYLSRUSA-N	2	2	377.536	3.892	1	0		GHAFLP
[NH3+]C1CC[NH+](Cc2ccn3ncnc(Nc4cc(Cl)cc(Cl)c4)c23)CC1	ZINC000066259572	205241373	/nfs/dbraw/zinc/24/13/73/205241373.db2.gz	RJCCTILJUFFGCE-UHFFFAOYSA-N	2	2	391.306	3.703	1	0		GHAFLP
C=C(c1cc(Cl)cc(Cl)c1OC[C@H](O)C[NH2+]C(C)(C)C)n1cc[nH+]c1	ZINC000040466469	205064963	/nfs/dbraw/zinc/06/49/63/205064963.db2.gz	ICCKDLSKTSZQCC-CQSZACIVSA-N	2	2	384.307	3.837	1	0		GHAFLP
C[NH+](C)CCCn1c2ccccc2nc1C[N@H+](C)[C@H]1CCCc2cccnc21	ZINC000045256506	205094735	/nfs/dbraw/zinc/09/47/35/205094735.db2.gz	JEPDGRCNPREMJT-NRFANRHFSA-N	2	2	377.536	3.892	1	0		GHAFLP
C[NH+](C)CCCn1c2ccccc2nc1C[N@@H+](C)[C@H]1CCCc2cccnc21	ZINC000045256506	205094739	/nfs/dbraw/zinc/09/47/39/205094739.db2.gz	JEPDGRCNPREMJT-NRFANRHFSA-N	2	2	377.536	3.892	1	0		GHAFLP
C[NH2+][C@H](C)C[NH+]1CCC(c2cc3[nH]c(-c4cccnc4OC)nc3c(C)c2)CC1	ZINC000045259795	205094233	/nfs/dbraw/zinc/09/42/33/205094233.db2.gz	STCUMBIMJUZLIA-MRXNPFEDSA-N	2	2	393.535	3.729	1	0		GHAFLP
C[NH2+][C@H](C)C[NH+]1CCC(c2cc3nc(-c4cccnc4OC)[nH]c3c(C)c2)CC1	ZINC000045259795	205094236	/nfs/dbraw/zinc/09/42/36/205094236.db2.gz	STCUMBIMJUZLIA-MRXNPFEDSA-N	2	2	393.535	3.729	1	0		GHAFLP
COc1ccc2c(c1)[C@H]([NH2+]CCC[NH2+]C1CCCCC1)c1cccnc1CO2	ZINC000026840734	207320199	/nfs/dbraw/zinc/32/01/99/207320199.db2.gz	ZKGYUJHIWYQAAW-HSZRJFAPSA-N	2	2	381.520	3.974	1	0		GHAFLP
[NH2+]=C(Nc1ccc2c(c1)CCC(=O)N2CC[NH+]1CCCCC1)c1cccs1	ZINC000073159835	136171459	/nfs/dbraw/zinc/17/14/59/136171459.db2.gz	HWSJKPFDKFYFPU-UHFFFAOYSA-N	2	2	382.533	3.951	1	0		GHAFLP
C=C(c1cc(Cl)cc(Cl)c1OC[C@@H](O)C[NH2+]C(C)(C)C)n1cc[nH+]c1	ZINC000040466467	207598799	/nfs/dbraw/zinc/59/87/99/207598799.db2.gz	ICCKDLSKTSZQCC-AWEZNQCLSA-N	2	2	384.307	3.837	1	0		GHAFLP
O=C(Nc1ccc(F)c(Cl)c1)N1CC[NH+](C[C@@H]2CCC[N@@H+](C3CC3)C2)CC1	ZINC000084713697	208098572	/nfs/dbraw/zinc/09/85/72/208098572.db2.gz	HTDQROHVXBFUTQ-HNNXBMFYSA-N	2	2	394.922	3.503	1	0		GHAFLP
O=C(Nc1ccc(F)c(Cl)c1)N1CC[NH+](C[C@@H]2CCC[N@H+](C3CC3)C2)CC1	ZINC000084713697	208098573	/nfs/dbraw/zinc/09/85/73/208098573.db2.gz	HTDQROHVXBFUTQ-HNNXBMFYSA-N	2	2	394.922	3.503	1	0		GHAFLP
CCCc1ccc2c(c1)CC=C(c1ccccc1)C(N1CC[NH+](CCO)CC1)=[NH+]2	ZINC000101761337	208398262	/nfs/dbraw/zinc/39/82/62/208398262.db2.gz	LUUGSZPVFVUJKR-UHFFFAOYSA-N	2	2	389.543	3.919	1	0		GHAFLP
CCc1[nH+]cccc1C[C@@H]1Cc2c([C@@H](O)C[NH2+]C)ccc(O)c2CC(C)(C)C1	ZINC000085510719	291132014	/nfs/dbraw/zinc/13/20/14/291132014.db2.gz	LSQGCWCQMABXBJ-MWTRTKDXSA-N	2	2	382.548	3.976	1	0	biogenic,in-vitro	GHAFLP
CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1cccc(OCc2ccc(Cl)c(Cl)c2)c1	ZINC000025967336	207306984	/nfs/dbraw/zinc/30/69/84/207306984.db2.gz	KLTBXEYFWQXDEU-UHFFFAOYSA-N	2	2	392.290	3.758	1	0		GHAFLP
C[N@H+](Cc1nc2ccccc2n1C[C@H]1CCC[NH2+]C1)[C@H]1CCCc2cccnc21	ZINC000084466502	208090460	/nfs/dbraw/zinc/09/04/60/208090460.db2.gz	XHRXIYNWBWPAAC-AVRDEDQJSA-N	2	2	389.547	3.940	1	0		GHAFLP
C[N@@H+](Cc1nc2ccccc2n1C[C@H]1CCC[NH2+]C1)[C@H]1CCCc2cccnc21	ZINC000084466502	208090466	/nfs/dbraw/zinc/09/04/66/208090466.db2.gz	XHRXIYNWBWPAAC-AVRDEDQJSA-N	2	2	389.547	3.940	1	0		GHAFLP
CC(C)([NH3+])C(=O)N1CCn2c([nH+]c(-c3ccccc3)c2Nc2ccc(F)cc2)C1	ZINC000072109033	211069060	/nfs/dbraw/zinc/06/90/60/211069060.db2.gz	ZJQOMUFAPNLITL-UHFFFAOYSA-N	2	2	393.466	3.512	1	0		GHAFLP
CC[NH+](CC)CCC[N@@H+]1CC[C@](O)(c2ccccc2)[C@@H](C(=O)c2ccccc2)C1	ZINC000169318087	209184948	/nfs/dbraw/zinc/18/49/48/209184948.db2.gz	ZKECNGAVXUGMHT-NOZRDPDXSA-N	2	2	394.559	3.811	1	0		GHAFLP
CC[NH+](CC)CCC[N@H+]1CC[C@](O)(c2ccccc2)[C@@H](C(=O)c2ccccc2)C1	ZINC000169318087	209184950	/nfs/dbraw/zinc/18/49/50/209184950.db2.gz	ZKECNGAVXUGMHT-NOZRDPDXSA-N	2	2	394.559	3.811	1	0		GHAFLP
C[N@@H+]1CCC[C@@H]1CCN1c2ccc(NC(=[NH2+])c3cccs3)cc2CCC1=O	ZINC000073159842	536370225	/nfs/dbraw/zinc/37/02/25/536370225.db2.gz	HCUBLNYMRSOIMI-QGZVFWFLSA-N	2	2	382.533	3.949	1	0		GHAFLP
C[N@H+]1CCC[C@@H]1CCN1c2ccc(NC(=[NH2+])c3cccs3)cc2CCC1=O	ZINC000073159842	536370227	/nfs/dbraw/zinc/37/02/27/536370227.db2.gz	HCUBLNYMRSOIMI-QGZVFWFLSA-N	2	2	382.533	3.949	1	0		GHAFLP
C=CC(=O)NC1=CC=C2[NH+]=CNC(=[NH+]c3ccc(OCc4ccccc4)cc3)[C@@H]12	ZINC000049538659	581095133	/nfs/dbraw/zinc/09/51/33/581095133.db2.gz	UKNWFYOHYKRONV-JOCHJYFZSA-N	2	2	384.439	3.818	1	0		GHAFLP
Cc1cccc(Cl)c1Nc1nc2ccc(N3CC[C@@H]([NH3+])C3)nc2n2c[nH+]cc12	ZINC000013582077	221275944	/nfs/dbraw/zinc/27/59/44/221275944.db2.gz	NNGYALDRCGUUJY-CYBMUJFWSA-N	2	2	393.882	3.520	1	0		GHAFLP
Cc1cccc(Cl)c1Nc1nc2ccc(N3CC[C@H]([NH3+])C3)nc2n2c[nH+]cc12	ZINC000013582073	221275820	/nfs/dbraw/zinc/27/58/20/221275820.db2.gz	NNGYALDRCGUUJY-ZDUSSCGKSA-N	2	2	393.882	3.520	1	0		GHAFLP
CCOc1ccc2cc(-c3nn(C4CC[NH2+]CC4)c4nc[nH+]c(N)c34)ccc2c1	ZINC000084689164	222319957	/nfs/dbraw/zinc/31/99/57/222319957.db2.gz	BUSPKJQAYDAQIK-UHFFFAOYSA-N	2	2	388.475	3.552	1	0		GHAFLP
COc1ccccc1NC(=O)C[NH+]1CCC(n2c(C)[nH+]c3cc(F)ccc32)CC1	ZINC000001380384	212239495	/nfs/dbraw/zinc/23/94/95/212239495.db2.gz	MNAIGPDCLNXHFZ-UHFFFAOYSA-N	2	2	396.466	3.768	3	0		GHAFLP
[NH2+]=C(Nc1ccc2c(c1)CCC(=O)N2CCC[NH+]1CCCC1)c1cccs1	ZINC000073196016	136171524	/nfs/dbraw/zinc/17/15/24/136171524.db2.gz	FPGQSNDORJTZCV-UHFFFAOYSA-N	2	2	382.533	3.951	1	0		GHAFLP
COc1cccc2c1CCC[C@@H]2[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1	ZINC000013757346	221288534	/nfs/dbraw/zinc/28/85/34/221288534.db2.gz	JVGJNXVXHQYNTM-QHCPKHFHSA-N	2	2	379.548	3.875	1	0		GHAFLP
CCOc1ccc2cc(-c3nn(C[C@@H]([NH3+])C(C)C)c4nc[nH+]c(N)c34)ccc2c1	ZINC000084689107	222319350	/nfs/dbraw/zinc/31/93/50/222319350.db2.gz	JJBVXBLSJXIUKY-GOSISDBHSA-N	2	2	390.491	3.611	1	0		GHAFLP
Nc1[nH+]cnc2c1c(Cc1cccc3ccccc31)nn2CCC1CC[NH2+]CC1	ZINC000071282032	222178932	/nfs/dbraw/zinc/17/89/32/222178932.db2.gz	XLHSLEFSSSWIGF-UHFFFAOYSA-N	2	2	386.503	3.542	1	0		GHAFLP
C=CC(=O)NC1=CC=C2[NH+]=CNC(=[NH+]c3ccc(OCc4ccccc4)cc3)[C@H]12	ZINC000049538658	581095146	/nfs/dbraw/zinc/09/51/46/581095146.db2.gz	UKNWFYOHYKRONV-QFIPXVFZSA-N	2	2	384.439	3.818	1	0		GHAFLP
CC[NH+](CC)CCC[N@@H+]1CC[C@@](O)(c2ccccc2)[C@@H](C(=O)c2ccccc2)C1	ZINC000169318086	212112304	/nfs/dbraw/zinc/11/23/04/212112304.db2.gz	ZKECNGAVXUGMHT-ILBGXUMGSA-N	2	2	394.559	3.811	1	0		GHAFLP
CC[NH+](CC)CCC[N@H+]1CC[C@@](O)(c2ccccc2)[C@@H](C(=O)c2ccccc2)C1	ZINC000169318086	212112308	/nfs/dbraw/zinc/11/23/08/212112308.db2.gz	ZKECNGAVXUGMHT-ILBGXUMGSA-N	2	2	394.559	3.811	1	0		GHAFLP