smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1[nH]cnc2c(C[N@H+](Cc3ccccc3)C[C@H](O)CO)c[nH]c21	ZINC000040379835	581101225	/nfs/dbraw/zinc/10/12/25/581101225.db2.gz	WBNKKFGASWUKMH-AWEZNQCLSA-N	1	1	328.372	0.607	1	0		ECAFMO
O=c1[nH]cnc2c(C[N@@H+](Cc3ccccc3)C[C@H](O)CO)c[nH]c21	ZINC000040379835	581101226	/nfs/dbraw/zinc/10/12/26/581101226.db2.gz	WBNKKFGASWUKMH-AWEZNQCLSA-N	1	1	328.372	0.607	1	0		ECAFMO
COc1ccc(CN2CCN(c3nc(N)n[nH]3)CC2)c(OC)c1OC	ZINC000027655014	202158759	/nfs/dbraw/zinc/15/87/59/202158759.db2.gz	GQIJRASMPSTJEQ-UHFFFAOYSA-N	1	1	348.407	0.735	1	0		ECAFMO
CC[C@@H](O)[C@@H]1C=CC[C@@H]2CC(=O)NCCCCN(C=O)CCC[N@H+]21	ZINC000070454162	560048685	/nfs/dbraw/zinc/04/86/85/560048685.db2.gz	TYRJPNHABXLXHV-IXDOHACOSA-N	1	1	337.464	0.905	1	0	biogenic,in-vitro	ECAFMO
CNc1[nH+]cnc2c1c(-c1ccoc1)cn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	ZINC000103253248	204069009	/nfs/dbraw/zinc/06/90/09/204069009.db2.gz	URLHQUVMXHYKLS-XNIJJKJLSA-N	1	1	346.343	0.345	1	0		ECAFMO
CC(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@@H+]3C)[C@H]1O5	ZINC000029551849	202189501	/nfs/dbraw/zinc/18/95/01/202189501.db2.gz	WZKKHNQPRSDJFT-UPQOXJCWSA-N	1	1	344.411	0.681	1	0		ECAFMO
CCCC(O)(CCC)CCCCC[N@H+]1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO	ZINC000066080161	215008150	/nfs/dbraw/zinc/00/81/50/215008150.db2.gz	CQUHLFTYRMCWNT-YYIAUSFCSA-N	1	1	347.496	0.637	1	0		ECAFMO
CC(=O)O[C@H](C)[C@@](O)(C(=O)OCC1=CC[N@H+]2CC[C@H](O)[C@H]12)C(C)C	ZINC000033830188	560088857	/nfs/dbraw/zinc/08/88/57/560088857.db2.gz	YFQPDKABPCMKCA-DUUDNCRHSA-N	1	1	341.404	0.244	1	0	biogenic,in-vitro	ECAFMO
CCCCCCOCCCCC[N@H+]1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO	ZINC000066102963	215011891	/nfs/dbraw/zinc/01/18/91/215011891.db2.gz	RCXJPSZNTHETPE-YYIAUSFCSA-N	1	1	333.469	0.513	1	0		ECAFMO
COC1CCN(C(=O)C[C@@H]2C(=O)NCC[N@H+]2CC(C)(C)C)CC1	ZINC000012301847	211337299	/nfs/dbraw/zinc/33/72/99/211337299.db2.gz	NZJVXVYMYJGKFE-CQSZACIVSA-N	1	1	325.453	0.860	3	0		ECAFMO
COC1CCN(C(=O)C[C@@H]2C(=O)NCC[N@@H+]2CC(C)(C)C)CC1	ZINC000012301847	211337301	/nfs/dbraw/zinc/33/73/01/211337301.db2.gz	NZJVXVYMYJGKFE-CQSZACIVSA-N	1	1	325.453	0.860	3	0		ECAFMO
Nc1[nH+]cnc2c1c(-c1ccccc1)cn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	ZINC000072107212	216009653	/nfs/dbraw/zinc/00/96/53/216009653.db2.gz	SAFLKKGMJZQGAJ-LSCFUAHRSA-N	1	1	342.355	0.292	1	0		ECAFMO
Nc1[nH+]c2c(cc(Cl)cc2Cl)n1[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O	ZINC000049019540	213977733	/nfs/dbraw/zinc/97/77/33/213977733.db2.gz	GXIMEZFBLSTJNA-WKJUBOCMSA-N	1	1	334.159	0.537	1	0		ECAFMO
COc1ccc(NC2=N[C@@H]3NNC(N)=C3C3=C2C[N@@H+](C)CC3)cc1	ZINC000169313721	534185576	/nfs/dbraw/zinc/18/55/76/534185576.db2.gz	DLOHSGDSFPUNHM-RHSMWYFYSA-N	1	1	326.404	0.969	1	0		ECAFMO
COc1ccc(NC2=N[C@H]3NNC(N)=C3C3=C2C[N@@H+](C)CC3)cc1	ZINC000103265071	219279536	/nfs/dbraw/zinc/27/95/36/219279536.db2.gz	DLOHSGDSFPUNHM-YOEHRIQHSA-N	1	1	326.404	0.969	1	0		ECAFMO
COC1CCN(C(=O)C[C@H]2C(=O)NCC[N@@H+]2CC(C)(C)C)CC1	ZINC000012301845	211337906	/nfs/dbraw/zinc/33/79/06/211337906.db2.gz	NZJVXVYMYJGKFE-AWEZNQCLSA-N	1	1	325.453	0.860	3	0		ECAFMO
COC1CCN(C(=O)C[C@H]2C(=O)NCC[N@H+]2CC(C)(C)C)CC1	ZINC000012301845	211337904	/nfs/dbraw/zinc/33/79/04/211337904.db2.gz	NZJVXVYMYJGKFE-AWEZNQCLSA-N	1	1	325.453	0.860	3	0		ECAFMO
CNc1[nH+]cnc2c1c(-c1ccco1)cn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	ZINC000103253244	219277172	/nfs/dbraw/zinc/27/71/72/219277172.db2.gz	BJQCSEZAUVKMKC-XNIJJKJLSA-N	1	1	346.343	0.345	1	0		ECAFMO
C[NH+]1CCN(CC(=O)N2CCc3cccc4c3[C@@H]2CNC4=O)CC1	ZINC000043178844	581098820	/nfs/dbraw/zinc/09/88/20/581098820.db2.gz	REMUWNOWOGFYCE-HNNXBMFYSA-N	1	1	328.416	0.103	1	0		ECAFMO
CC(=O)N1CCC2(CC1)OC(=O)C(C)=C2C(=O)N1CC[NH+](C)CC1	ZINC000020531782	212144763	/nfs/dbraw/zinc/14/47/63/212144763.db2.gz	PTZQXHDCPARFTG-UHFFFAOYSA-N	1	1	335.404	0.015	1	0		ECAFMO
CC(=O)N[C@@H]1CC[C@@]2(O)[C@@H]3Cc4ccc(O)c5c4[C@]2(CC[N@@H+]3C)[C@H]1O5	ZINC000036221115	213076928	/nfs/dbraw/zinc/07/69/28/213076928.db2.gz	WZKKHNQPRSDJFT-UBDCPRGSSA-N	1	1	344.411	0.681	1	0		ECAFMO
CC[N@H+]1CC[C@]2(C(=O)N3CCOCC3)CCN(C(=O)NC)CC[C@@H]12	ZINC000299843037	257655611	/nfs/dbraw/zinc/65/56/11/257655611.db2.gz	LFKOTACFKKCFMD-PBHICJAKSA-N	1	1	338.452	0.361	1	0		ECAFMO
COc1ccc(NC2=N[C@@H]3NNC(N)=C3C3=C2C[N@@H+](C)CC3)cc1	ZINC000103265073	219278573	/nfs/dbraw/zinc/27/85/73/219278573.db2.gz	DLOHSGDSFPUNHM-WMLDXEAASA-N	1	1	326.404	0.969	1	0		ECAFMO
CNc1nc(OC)c(C(=O)NC2CN(C)CC[N@H+](C)C2)cc1Cl	ZINC000022928213	212336832	/nfs/dbraw/zinc/33/68/32/212336832.db2.gz	FDLYNYJLMXYFOP-UHFFFAOYSA-N	1	1	341.843	0.761	1	0		ECAFMO
CNc1nc(OC)c(C(=O)NC2CN(C)CC[N@@H+](C)C2)cc1Cl	ZINC000022928213	212336835	/nfs/dbraw/zinc/33/68/35/212336835.db2.gz	FDLYNYJLMXYFOP-UHFFFAOYSA-N	1	1	341.843	0.761	1	0		ECAFMO
C[NH+]1CCN([C@H]2CS(=O)(=O)N[C@@H]2COCc2ccccc2)CC1	ZINC000095599105	218445209	/nfs/dbraw/zinc/44/52/09/218445209.db2.gz	CUNFEVHRNZQMJX-CVEARBPZSA-N	1	1	339.461	0.121	3	0		ECAFMO
O=C1C[C@H](c2ccccc2F)C(=O)N1CN1CC[NH+](CCO)CC1	ZINC000103014665	219248530	/nfs/dbraw/zinc/24/85/30/219248530.db2.gz	VKNSESIMUSXCCF-CQSZACIVSA-N	1	1	335.379	0.236	1	0		ECAFMO
C[NH+]1CCN(c2ncc3ncc(=O)n(C[C@H]4CCCO4)c3n2)CC1	ZINC000004238890	135663111	/nfs/dbraw/zinc/66/31/11/135663111.db2.gz	BDTBUWNFRYAOQH-GFCCVEGCSA-N	1	1	330.392	0.117	1	0		ECAFMO
CC[N@H+]1CCN(C)C[C@@H](NC(=O)c2cc(Cl)c(N)nc2OC)C1	ZINC000022778620	202090560	/nfs/dbraw/zinc/09/05/60/202090560.db2.gz	NQAOXCXKUPNSLL-SNVBAGLBSA-N	1	1	341.843	0.692	1	0		ECAFMO
CCN1CC[N@H+](C)C[C@@H](NC(=O)c2cc(Cl)c(N)nc2OC)C1	ZINC000022778620	202090566	/nfs/dbraw/zinc/09/05/66/202090566.db2.gz	NQAOXCXKUPNSLL-SNVBAGLBSA-N	1	1	341.843	0.692	1	0		ECAFMO
CCN1CC[N@@H+](C)C[C@@H](NC(=O)c2cc(Cl)c(N)nc2OC)C1	ZINC000022778620	202090567	/nfs/dbraw/zinc/09/05/67/202090567.db2.gz	NQAOXCXKUPNSLL-SNVBAGLBSA-N	1	1	341.843	0.692	1	0		ECAFMO
CNC(=O)c1ccc2c3c1O[C@@H]1[C@H](O)C=C[C@H]4[C@@H](C2)[N@H+](C)CC[C@]314	ZINC000029417363	202186247	/nfs/dbraw/zinc/18/62/47/202186247.db2.gz	HDZZVBSQIZPFRO-TXJQQHPJSA-N	1	1	326.396	0.852	1	0		ECAFMO
N[C@H]1C[N@H+](Cc2ccc(-n3cncn3)cc2)C[C@H]1C(=O)N1CCCC1	ZINC000028954992	202179612	/nfs/dbraw/zinc/17/96/12/202179612.db2.gz	FMAPRDREHYFIMQ-SJORKVTESA-N	1	1	340.431	0.649	1	0		ECAFMO
N[C@H]1C[N@@H+](Cc2ccc(-n3cncn3)cc2)C[C@H]1C(=O)N1CCCC1	ZINC000028954992	202179614	/nfs/dbraw/zinc/17/96/14/202179614.db2.gz	FMAPRDREHYFIMQ-SJORKVTESA-N	1	1	340.431	0.649	1	0		ECAFMO
C[NH+]1CCN(c2nc3sc4ccccc4n3c(=O)c2C(N)=O)CC1	ZINC000103167951	219264784	/nfs/dbraw/zinc/26/47/84/219264784.db2.gz	AULXTWNLHMVGBY-UHFFFAOYSA-N	1	1	343.412	0.760	1	0		ECAFMO
Cc1oc2c(c1C(=O)NCCC[NH+]1CCOCC1)C1=NCCN1C=N2	ZINC000100696151	219104114	/nfs/dbraw/zinc/10/41/14/219104114.db2.gz	NNAVMNFGBCBTNJ-UHFFFAOYSA-N	1	1	345.403	0.776	1	0		ECAFMO
CCCCCCOCCCCC[N@H+]1C[C@H](O)[C@@H](O)[C@H](O)[C@@H]1CO	ZINC000066102295	215011293	/nfs/dbraw/zinc/01/12/93/215011293.db2.gz	RCXJPSZNTHETPE-MWDXBVQZSA-N	1	1	333.469	0.513	1	0		ECAFMO
CC(=O)N[C@H]1[C@H]([N@H+](C)CCc2ccccc2)C=C(C(=O)[O-])C[C@@H]1[NH3+]	ZINC000014944906	581098728	/nfs/dbraw/zinc/09/87/28/581098728.db2.gz	JGHGNWBFWJQGDZ-GVDBMIGSSA-N	1	1	331.416	0.776	1	0		ECAFMO
CC(=O)N[C@H]1[C@H]([N@@H+](C)CCc2ccccc2)C=C(C(=O)[O-])C[C@@H]1[NH3+]	ZINC000014944906	581098729	/nfs/dbraw/zinc/09/87/29/581098729.db2.gz	JGHGNWBFWJQGDZ-GVDBMIGSSA-N	1	1	331.416	0.776	1	0		ECAFMO
C[NH+]1CCN(C(=O)Cn2ncc3c2c2ccccc2oc3=O)CC1	ZINC000020215809	212112767	/nfs/dbraw/zinc/11/27/67/212112767.db2.gz	QCPDIDANJRVMKZ-UHFFFAOYSA-N	1	1	326.356	0.917	1	0		ECAFMO
Cc1c[nH]c2ncnc(N3CC[C@]([NH3+])(CNC(=O)C(F)(F)F)C3)c12	ZINC000053314244	214176434	/nfs/dbraw/zinc/17/64/34/214176434.db2.gz	MOLLNMWNTIXBJK-ZDUSSCGKSA-N	1	1	342.325	0.852	1	0		ECAFMO
C[NH+]1CCN(CC(=O)N2CCc3cccc4c3[C@H]2CNC4=O)CC1	ZINC000043178846	581098840	/nfs/dbraw/zinc/09/88/40/581098840.db2.gz	REMUWNOWOGFYCE-OAHLLOKOSA-N	1	1	328.416	0.103	1	0		ECAFMO
COc1ccc(NC2=N[C@H]3NNC(N)=C3C3=C2C[N@@H+](C)CC3)cc1	ZINC000169313722	534184858	/nfs/dbraw/zinc/18/48/58/534184858.db2.gz	DLOHSGDSFPUNHM-PBHICJAKSA-N	1	1	326.404	0.969	1	0		ECAFMO
COC1=C[C@@]23CCC[N@H+]2CCc2cc4c(cc2[C@@]3(O)[C@@H]1O)OCO4	ZINC000014922261	560227574	/nfs/dbraw/zinc/22/75/74/560227574.db2.gz	MVSKPPYUIBULOR-KZNAEPCWSA-N	1	1	331.368	0.898	1	0	biogenic,in-vitro	ECAFMO
Cc1c[nH]c2ncnc(N3CC[C@@]([NH3+])(CNC(=O)C(F)(F)F)C3)c12	ZINC000053314247	214176547	/nfs/dbraw/zinc/17/65/47/214176547.db2.gz	MOLLNMWNTIXBJK-CYBMUJFWSA-N	1	1	342.325	0.852	1	0		ECAFMO