smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N@@H+]1C[C@@H]2CN(c3ccccc3)C3(CC[NH+](C4CCCCCCCC4)CC3)[C@@H]2C1	ZINC000004628929	204058970	/nfs/dbraw/zinc/05/89/70/204058970.db2.gz	RYDOVBNORDTWNV-RCZVLFRGSA-N	2	0	395.635	5.022	1	0		GKAFRP
FC(F)(F)c1cccc(C[NH2+]CCCCC[NH2+]Cc2ccc(Cl)cc2)c1	ZINC000045314595	205094340	/nfs/dbraw/zinc/09/43/40/205094340.db2.gz	OBBJGHSUFDLNFA-UHFFFAOYSA-N	2	0	384.873	5.409	1	0		GKAFRP
CC1=[NH+]c2ccc(Cl)cc2[C@@H](c2cccc(F)c2)N1CC[NH+]1CCCCC1	ZINC000072125770	205307193	/nfs/dbraw/zinc/30/71/93/205307193.db2.gz	LIPVOQPZUZZUSD-JOCHJYFZSA-N	2	0	385.914	5.420	1	0		GKAFRP
Cc1cc(C)c2c(c1)[nH+]c(C)c(C)c2Nc1ccc(N2CC[N@H+](C)[C@@H](C)C2)cc1	ZINC000167627099	136196992	/nfs/dbraw/zinc/19/69/92/136196992.db2.gz	ISQPPFGYKGDIHL-SFHVURJKSA-N	2	0	388.559	5.352	1	0		GKAFRP
CC(C)C1=[NH+]CCc2cc([C@H]3C[C@H]3c3ccc4cc(C(N)=[NH2+])ccc4c3)ccc21	ZINC000137098628	581093954	/nfs/dbraw/zinc/09/39/54/581093954.db2.gz	YNSGCLWGJIGXJS-BJKOFHAPSA-N	2	0	381.523	5.396	1	0		GKAFRP
CC(C)C1=[NH+]CCc2cc([C@@H]3C[C@@H]3c3ccc4cc(C(N)=[NH2+])ccc4c3)ccc21	ZINC000028369692	581094029	/nfs/dbraw/zinc/09/40/29/581094029.db2.gz	YNSGCLWGJIGXJS-RPWUZVMVSA-N	2	0	381.523	5.396	1	0		GKAFRP
[NH2+]=C1Nc2cc(CC[NH2+]Cc3cccc(Cl)c3)c(Cl)cc2[C@H]2CCC[C@@H]12	ZINC000001547494	212249051	/nfs/dbraw/zinc/24/90/51/212249051.db2.gz	FVQWQDZDQPNXBD-DLBZAZTESA-N	2	0	388.342	5.212	1	0		GKAFRP
C1=C(c2ccc(CC[NH+]3CCCCC3)cc2)[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1	ZINC000029128199	207356284	/nfs/dbraw/zinc/35/62/84/207356284.db2.gz	PIXCEKNYGPOYDB-VPUSJEBWSA-N	2	0	386.583	5.250	1	0		GKAFRP
CC[NH+](CC)CCCC[NH2+]Cc1nccc2c3ccccc3n(CC(C)C)c21	ZINC000072114716	222206842	/nfs/dbraw/zinc/20/68/42/222206842.db2.gz	MFBQMFWZHYQFOH-UHFFFAOYSA-N	2	0	380.580	5.057	1	0		GKAFRP
CC(C)[C@@H]1c2cc([C@H]3C[C@H]3c3ccc4cc(C(N)=[NH2+])ccc4c3)ccc2CC[N@H+]1C	ZINC000100060631	581093934	/nfs/dbraw/zinc/09/39/34/581093934.db2.gz	FEPIUXBUJVISNN-BFLUCZKCSA-N	2	0	397.566	5.580	1	0	in-vitro	GKAFRP
[NH3+]CCCCCCCCCCCCNc1c2ccccc2[nH+]c2c1CCCC2	ZINC000013801233	210091769	/nfs/dbraw/zinc/09/17/69/210091769.db2.gz	AUWJPKWQQCCYFJ-UHFFFAOYSA-N	2	0	381.608	6.385	1	0		GKAFRP
Cc1ccc([C@H]2c3cc(Cl)ccc3[NH+]=C(C)N2CC[NH+]2CCCCC2)cc1C	ZINC000072122658	205307495	/nfs/dbraw/zinc/30/74/95/205307495.db2.gz	UADSWZIMTBPHKD-DEOSSOPVSA-N	2	0	395.978	5.898	1	0		GKAFRP
CC(C)[C@@H]1c2cc([C@@H]3C[C@@H]3c3ccc4cc(C(N)=[NH2+])ccc4c3)ccc2CC[N@H+]1C	ZINC000013983848	207005437	/nfs/dbraw/zinc/00/54/37/207005437.db2.gz	FEPIUXBUJVISNN-RMTZWNOUSA-N	2	0	397.566	5.580	1	0	in-vitro	GKAFRP
C[N@@H+]1CCC[C@@H]2[C@@H](c3ccccc3)[C@H](C3=[NH+]CCCC3)[C@H](c3ccccc3)C[C@@H]21	ZINC000017423511	207089145	/nfs/dbraw/zinc/08/91/45/207089145.db2.gz	MVIXAPHJOKOOEU-SZSGBHFGSA-N	2	0	386.583	5.909	1	0		GKAFRP
CC(C)C1=[NH+]CCc2ccc([C@H]3C[C@H]3c3ccc4cc(C(N)=[NH2+])ccc4c3)cc21	ZINC000028362213	207340264	/nfs/dbraw/zinc/34/02/64/207340264.db2.gz	APXAIXPMIFECKD-XZOQPEGZSA-N	2	0	381.523	5.396	1	0		GKAFRP
Cc1[nH+]c2cc(Cl)ccc2c(Nc2ccc(N3CC[N@H+](C)[C@@H](C)C3)cc2)c1C	ZINC000167357704	136197029	/nfs/dbraw/zinc/19/70/29/136197029.db2.gz	QRWKSCTWTCHDII-HNNXBMFYSA-N	2	0	394.950	5.389	1	0		GKAFRP
COc1ccc([C@@H]2c3cc(Cl)ccc3[NH+]=C(C)N2CC[NH+]2CCCCC2)cc1	ZINC000072125201	222208490	/nfs/dbraw/zinc/20/84/90/222208490.db2.gz	DABKRNFTYNKBOJ-HSZRJFAPSA-N	2	0	397.950	5.289	1	0		GKAFRP
CC1=[NH+]c2ccc(Cl)cc2[C@@H](Cc2ccccc2)N1CC[NH+]1CCCCC1	ZINC000072123111	222209018	/nfs/dbraw/zinc/20/90/18/222209018.db2.gz	ASXCCQZONDDWOB-HSZRJFAPSA-N	2	0	381.951	5.475	1	0		GKAFRP
CC(C)C1=[NH+]CCc2cc([C@@H]3C[C@H]3c3ccc4cc(C(N)=[NH2+])ccc4c3)ccc21	ZINC000137098686	581093960	/nfs/dbraw/zinc/09/39/60/581093960.db2.gz	YNSGCLWGJIGXJS-ZEQRLZLVSA-N	2	0	381.523	5.396	1	0		GKAFRP
CCC[NH+](CCC)Cc1ccc(-c2ccc(C[NH+](CCC)CCC)cc2)cc1	ZINC000040865821	205073805	/nfs/dbraw/zinc/07/38/05/205073805.db2.gz	CGLJDTUPXKUYST-UHFFFAOYSA-N	2	0	380.620	6.598	1	0		GKAFRP
C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(-c3ccc(C[NH+]4CCCCC4)cc3)cc2)C1	ZINC000040859825	205073935	/nfs/dbraw/zinc/07/39/35/205073935.db2.gz	YWPYNYLSFPUIOX-FGZHOGPDSA-N	2	0	376.588	5.817	1	0		GKAFRP
C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H]([NH3+])CC[C@]4(C)[C@H]3CC[C@]12C)[C@H]1CC[C@H](C)C[NH2+]1	ZINC000039162602	206264536	/nfs/dbraw/zinc/26/45/36/206264536.db2.gz	DHMOPSVHROLSFF-OWJFKGPJSA-N	2	0	398.679	5.917	1	0		GKAFRP
Cc1cccc([C@@H]2c3cc(Cl)ccc3[NH+]=C(C)N2CC[NH+]2CCCCC2)c1	ZINC000072124510	211071927	/nfs/dbraw/zinc/07/19/27/211071927.db2.gz	FQJLINCCXCOPSK-HSZRJFAPSA-N	2	0	381.951	5.589	1	0		GKAFRP
CC(C)C1=[NH+]CCc2cc([C@H]3C[C@@H]3c3ccc4cc(C(N)=[NH2+])ccc4c3)ccc21	ZINC000028369699	581093937	/nfs/dbraw/zinc/09/39/37/581093937.db2.gz	YNSGCLWGJIGXJS-DNQXCXABSA-N	2	0	381.523	5.396	1	0		GKAFRP
COc1cccc([C@H]2c3cc(Cl)ccc3[NH+]=C(C)N2CC[NH+]2CCCCC2)c1	ZINC000072123016	205306349	/nfs/dbraw/zinc/30/63/49/205306349.db2.gz	LPDRIPSSVYFIBE-QHCPKHFHSA-N	2	0	397.950	5.289	1	0		GKAFRP
Cc1ccc([C@H]2c3cc(Cl)ccc3[NH+]=C(C)N2CC[NH+]2CCCCC2)cc1	ZINC000072125733	205307712	/nfs/dbraw/zinc/30/77/12/205307712.db2.gz	HSQMVGBVMYMIES-QHCPKHFHSA-N	2	0	381.951	5.589	1	0		GKAFRP
NC(=[NH2+])c1ccc2oc(/C=C/C=C/C=C/c3cc4cc(C(N)=[NH2+])ccc4o3)cc2c1	ZINC000001995717	206396305	/nfs/dbraw/zinc/39/63/05/206396305.db2.gz	YJFBRKIDGCDWFF-CRQXNEITSA-N	2	0	396.450	5.030	1	0		GKAFRP
CC(C)C1CCC([NH+]2CCC3(CC2)[C@H](c2ccccc2)C[C@H]2C[N@@H+](C)C[C@H]23)CC1	ZINC000029487460	207362185	/nfs/dbraw/zinc/36/21/85/207362185.db2.gz	FNTLZGSLCSXJMW-KGDPBBFQSA-N	2	0	394.647	5.649	1	0		GKAFRP
Cc1[nH+]c2cccc(Cl)c2c(Nc2ccc(N3CC[N@H+](C)[C@@H](C)C3)cc2)c1C	ZINC000167118440	136197012	/nfs/dbraw/zinc/19/70/12/136197012.db2.gz	DZQRMYQZZBIVHO-HNNXBMFYSA-N	2	0	394.950	5.389	1	0		GKAFRP
Cc1ccc(C)c2c(Nc3ccc(N4CC[N@H+](C)[C@@H](C)C4)cc3)c(C)c(C)[nH+]c12	ZINC000169361837	136197339	/nfs/dbraw/zinc/19/73/39/136197339.db2.gz	KTKKHYOEEDBCLW-SFHVURJKSA-N	2	0	388.559	5.352	1	0		GKAFRP
c1ccc2c(c1)[nH+]c1c(c2NCCCCCCCNc2cc[nH+]cc2)CCCC1	ZINC000013801250	581091215	/nfs/dbraw/zinc/09/12/15/581091215.db2.gz	DAKMZCNUVKKBIH-UHFFFAOYSA-N	2	0	388.559	5.983	1	0		GKAFRP
CC(C)[C@@H]1c2cc([C@H]3C[C@@H]3c3ccc4cc(C(N)=[NH2+])ccc4c3)ccc2CC[N@H+]1C	ZINC000100060633	581094031	/nfs/dbraw/zinc/09/40/31/581094031.db2.gz	FEPIUXBUJVISNN-DGWZTRNLSA-N	2	0	397.566	5.580	1	0	in-vitro	GKAFRP
COc1ccc([C@H]2c3cc(Cl)ccc3[NH+]=C(C)N2CC[NH+]2CCCCC2)cc1	ZINC000072125200	205307289	/nfs/dbraw/zinc/30/72/89/205307289.db2.gz	DABKRNFTYNKBOJ-QHCPKHFHSA-N	2	0	397.950	5.289	1	0		GKAFRP
CC1(C)[C@@H]2CC[C@@]1(C)[C@H]([NH2+]CCCCCC[NH2+][C@@H]1C[C@H]3CC[C@]1(C)C3(C)C)C2	ZINC000169308295	211634747	/nfs/dbraw/zinc/63/47/47/211634747.db2.gz	OXQWWMPKQARHJR-RUNZLFIYSA-N	2	0	388.684	6.156	1	0		GKAFRP
CC(C)[C@H]1c2cc([C@@H]3C[C@@H]3c3ccc4cc(C(N)=[NH2+])ccc4c3)ccc2CC[N@H+]1C	ZINC000013983845	207005726	/nfs/dbraw/zinc/00/57/26/207005726.db2.gz	FEPIUXBUJVISNN-USZFVNFHSA-N	2	0	397.566	5.580	1	0		GKAFRP
CC(C)[C@@H]1c2cc([C@@H]3C[C@H]3c3ccc4cc(C(N)=[NH2+])ccc4c3)ccc2CC[N@H+]1C	ZINC000257811397	581093922	/nfs/dbraw/zinc/09/39/22/581093922.db2.gz	FEPIUXBUJVISNN-KYPHJKQUSA-N	2	0	397.566	5.580	1	0	in-vitro	GKAFRP
C[NH+](C)C12C[C@@H](c3ccc(Cl)cc3)C([NH2+]CC1)[C@H](c1ccc(Cl)cc1)C2	ZINC000040423249	205065059	/nfs/dbraw/zinc/06/50/59/205065059.db2.gz	QJYWMVPXSZVTQK-PHZLKFDYSA-N	2	0	389.370	5.317	1	0		GKAFRP
C[N@@H+]1CCC[C@H]2[C@@H](c3ccccc3)[C@H](C3=[NH+]CCCC3)[C@H](c3ccccc3)C[C@@H]21	ZINC000017423506	207089025	/nfs/dbraw/zinc/08/90/25/207089025.db2.gz	MVIXAPHJOKOOEU-XXEBQWMLSA-N	2	0	386.583	5.909	1	0		GKAFRP
CC[NH+](CC)CCC[NH2+]CCCCCCNc1ccnc2cc(Cl)ccc21	ZINC000040616216	205068089	/nfs/dbraw/zinc/06/80/89/205068089.db2.gz	IVCIQCADGPOOTJ-UHFFFAOYSA-N	2	0	391.003	5.182	1	0		GKAFRP
C[C@H]1C[C@H](C)C[NH+](Cc2ccc(-c3ccc(C[NH+]4CCCCC4)cc3)cc2)C1	ZINC000040859823	205074251	/nfs/dbraw/zinc/07/42/51/205074251.db2.gz	YWPYNYLSFPUIOX-VXKWHMMOSA-N	2	0	376.588	5.817	1	0		GKAFRP
Cc1[nH+]c2cc(Cl)ccc2c(Nc2ccc(N3CC[N@H+](C)[C@H](C)C3)cc2)c1C	ZINC000066102877	222137092	/nfs/dbraw/zinc/13/70/92/222137092.db2.gz	QRWKSCTWTCHDII-OAHLLOKOSA-N	2	0	394.950	5.389	1	0		GKAFRP