smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[O-]/N=C1\C/C(=N\O)c2c(Br)sc(Br)c21	ZINC000102954160	204056327	/nfs/dbraw/zinc/05/63/27/204056327.db2.gz	PUIUOZJBQWAZHU-NXOFHUPFSA-N	-1	1	339.996	3.033	1	30		EGEFMM
Cc1ccc2c(c1)c([O-])c(C(=S)N(C)c1ccccc1)c(=O)n2C	ZINC000101253037	219119328	/nfs/dbraw/zinc/11/93/28/219119328.db2.gz	ZBBKSSKUQHOYGU-KNTRCKAVSA-N	-1	1	338.432	3.432	1	30		EGEFMM
CCCCOc1ccc(C([O-])=C2C(=O)CN([C@@H](C)CC)C2=O)cc1	ZINC000103296124	219286574	/nfs/dbraw/zinc/28/65/74/219286574.db2.gz	UIJLEKUUPYAQCC-FKEVTRRJSA-N	-1	1	331.412	3.344	1	30		EGEFMM
O=C(C=Cc1ccccc1)c1ccc(C[C@H]2SC(=O)[N-]C2=O)cc1	ZINC000003933934	210093797	/nfs/dbraw/zinc/09/37/97/210093797.db2.gz	AVPFVBQJFBSPIS-VGMNTSGFSA-N	-1	1	337.400	3.477	1	30		EGEFMM
CCCCOc1ccc(C([O-])=C2C(=O)CN([C@H](C)CC)C2=O)cc1	ZINC000103296126	219286056	/nfs/dbraw/zinc/28/60/56/219286056.db2.gz	UIJLEKUUPYAQCC-XAGMJWQQSA-N	-1	1	331.412	3.344	1	30		EGEFMM
CC(C=CC([O-])=C1C(=O)CN(C)C1=O)=Cc1cnc2ccccc2c1	ZINC000101157304	219117608	/nfs/dbraw/zinc/11/76/08/219117608.db2.gz	INASWFWAQGLSQN-NJHPPEEMSA-N	-1	1	334.375	3.048	1	30		EGEFMM
COc1cc(C(=O)/C=C/c2ccc(N(C)C)cc2)cc(OC)c1[O-]	ZINC000026146963	212507579	/nfs/dbraw/zinc/50/75/79/212507579.db2.gz	HHWPPPNVBSNMOF-JXMROGBWSA-N	-1	1	327.380	3.372	1	30		EGEFMM
CC(C)C1=C([O-])C(=O)C2=C(C=C[C@]3(O)C(C)(C)CCC[C@]23C)C1=O	ZINC000049872405	214033841	/nfs/dbraw/zinc/03/38/41/214033841.db2.gz	JICKNLHEJNAPNI-UXHICEINSA-N	-1	1	330.424	3.420	1	30		EGEFMM
CC[C@]1(C)Cc2c(C#N)c(=N)n(-c3ccccc3)c([S-])c2CO1	ZINC000101764433	204021212	/nfs/dbraw/zinc/02/12/12/204021212.db2.gz	OGVUZZWYJIJKIU-GOSISDBHSA-N	-1	1	325.437	3.359	1	30		EGEFMM
C=CCNC(=S)Nc1ccc(-c2n[n-]c(=S)n2CC=C)cc1	ZINC000029409900	212665527	/nfs/dbraw/zinc/66/55/27/212665527.db2.gz	BJLMNVZFEXTEAW-UHFFFAOYSA-N	-1	1	331.470	3.266	1	30		EGEFMM
CCCOc1ccc(/C=C2/Oc3c(ccc([O-])c3O)C2=O)c(O)c1	ZINC000027426895	202154970	/nfs/dbraw/zinc/15/49/70/202154970.db2.gz	IKJHPAOZXRMGAG-OVCLIPMQSA-N	-1	1	328.320	3.208	1	30		EGEFMM
CCc1ccc(S(=O)(=O)[N-]C(=O)Nc2ccc(Cl)cc2)o1	ZINC000026822486	202149068	/nfs/dbraw/zinc/14/90/68/202149068.db2.gz	CJEVBYMOJLNYIE-UHFFFAOYSA-N	-1	1	328.777	3.210	1	30		EGEFMM
CCc1ccc(S(=O)(=O)N=C([O-])Nc2ccc(Cl)cc2)o1	ZINC000026822486	202149070	/nfs/dbraw/zinc/14/90/70/202149070.db2.gz	CJEVBYMOJLNYIE-UHFFFAOYSA-N	-1	1	328.777	3.210	1	30		EGEFMM
COc1ccc2sc(C(=O)Nc3nn[n-]n3)c(OC(C)(C)C)c2c1	ZINC000028014620	202163835	/nfs/dbraw/zinc/16/38/35/202163835.db2.gz	ZECFSCXXABUKRF-UHFFFAOYSA-N	-1	1	347.400	3.237	1	30		EGEFMM
Cc1c2c(cc3c1C(=O)C([O-])=C([C@@H](C)CO)C3=O)C(C)(C)CCC2	ZINC000017994780	201059381	/nfs/dbraw/zinc/05/93/81/201059381.db2.gz	MTGILFFRPNZATK-JTQLQIEISA-N	-1	1	328.408	3.428	1	30		EGEFMM
CC(C)C1=C([O-])C(=O)C2=C(C=C[C@@]3(O)C(C)(C)CCC[C@]23C)C1=O	ZINC000049872404	214034596	/nfs/dbraw/zinc/03/45/96/214034596.db2.gz	JICKNLHEJNAPNI-WOJBJXKFSA-N	-1	1	330.424	3.420	1	30		EGEFMM
C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CC([O-])=CC(=O)[C@@]43C)[C@@H]1CC[C@]2(O)CCO	ZINC000012493748	211392956	/nfs/dbraw/zinc/39/29/56/211392956.db2.gz	RJKJQHWLCLYSHD-ILWWQLNPSA-N	-1	1	348.483	3.373	1	30	endogenous,in-man	EGEFMM
CC(C=CC([O-])=C1C(=O)CN(C)C1=O)=C[C@@H]1CCc2ccccc2C1	ZINC000100756582	219106215	/nfs/dbraw/zinc/10/62/15/219106215.db2.gz	FZBNCKSYTXWVCT-QPPTYYCLSA-N	-1	1	337.419	3.147	1	30		EGEFMM
COC1=C(C)C(=O)C(C(=O)C=Cc2ccc(O)cc2)=C([O-])C1(C)C	ZINC000101409653	219126947	/nfs/dbraw/zinc/12/69/47/219126947.db2.gz	CYZFVIBBTUWQSL-YFLNMOBYSA-N	-1	1	328.364	3.316	1	30		EGEFMM
COC1=C(C)C([O-])=C(C(=O)C=Cc2ccc(O)cc2)C(=O)C1(C)C	ZINC000101409653	219126951	/nfs/dbraw/zinc/12/69/51/219126951.db2.gz	CYZFVIBBTUWQSL-YFLNMOBYSA-N	-1	1	328.364	3.316	1	30		EGEFMM
COc1cccc(/C=C\C(=O)c2c([O-])cc(OC)c(OC)c2OC)c1	ZINC000095913984	290994206	/nfs/dbraw/zinc/99/42/06/290994206.db2.gz	SLWWZJVAKSCKGD-HJWRWDBZSA-N	-1	1	344.363	3.323	1	30	biogenic,in-vitro	EGEFMM
CC(C)C1=C([O-])C(=O)C2=C(C1=O)[C@H]1C[C@@H]3C(C)(C)CCC[C@@]23C(=O)O1	ZINC000100783622	571840264	/nfs/dbraw/zinc/84/02/64/571840264.db2.gz	ZGIOOTXNBWWRKD-HZNYWTHISA-N	-1	1	344.407	3.045	1	30	endogenous,in-man	EGEFMM
CC[C@@]1(O)C[C@@H](O)[C@H]2[C@@H]3CC[C@@H]4CC([O-])=CC(=O)[C@]4(C)[C@H]3CC[C@@]21C	ZINC000012493614	211393354	/nfs/dbraw/zinc/39/33/54/211393354.db2.gz	YXMCPINQJVUPGV-SIDQMQLBSA-N	-1	1	348.483	3.372	1	30	endogenous,in-man	EGEFMM
O=C1c2c(cc([O-])cc2O)O/C1=C\c1cccc(Br)c1	ZINC000040392882	213296752	/nfs/dbraw/zinc/29/67/52/213296752.db2.gz	ZVECIMOIOIAUMR-ACAGNQJTSA-N	-1	1	333.137	3.477	1	30		EGEFMM
CC[C@@]1(O)C[C@@H](O)[C@H]2[C@@H]3CC[C@H]4CC([O-])=CC(=O)[C@]4(C)[C@H]3CC[C@@]21C	ZINC000012493620	571693864	/nfs/dbraw/zinc/69/38/64/571693864.db2.gz	YXMCPINQJVUPGV-MGQJQXAKSA-N	-1	1	348.483	3.372	1	30	endogenous,in-man	EGEFMM
CC[C@@]1(C)Cc2c(C#N)c(=N)n(-c3ccccc3)c([S-])c2CO1	ZINC000101764438	219163299	/nfs/dbraw/zinc/16/32/99/219163299.db2.gz	OGVUZZWYJIJKIU-SFHVURJKSA-N	-1	1	325.437	3.359	1	30		EGEFMM
Cc1ccc(NC2=CC(=O)c3[n-]c(-c4ccccn4)nc3C2=O)cc1	ZINC000003588214	210059341	/nfs/dbraw/zinc/05/93/41/210059341.db2.gz	VVUSLHQCSNHSHJ-UHFFFAOYSA-N	-1	1	330.347	3.155	1	30		EGEFMM
Cc1c2[nH]c3ccc([O-])c(/N=C/C(=O)[O-])c3c2c(C)c2c[n+](C)ccc12	ZINC000040504125	213323836	/nfs/dbraw/zinc/32/38/36/213323836.db2.gz	VVFRSJQEJDKMIC-ODCIPOBUSA-O	-1	1	348.382	3.408	1	30		EGEFMM
COc1cc(/C=C/C(=O)c2ccc(O)c(C)c2[O-])cc(OC)c1OC	ZINC000073200002	216363196	/nfs/dbraw/zinc/36/31/96/216363196.db2.gz	XPMVFYJFEVDTKM-FNORWQNLSA-N	-1	1	344.363	3.328	1	30		EGEFMM
CC(C)C1=C([O-])C(=O)C2=C(C1=O)[C@H]1C[C@H]3C(C)(C)CCC[C@@]23C(=O)O1	ZINC000100783624	571840328	/nfs/dbraw/zinc/84/03/28/571840328.db2.gz	ZGIOOTXNBWWRKD-NLQQUQSOSA-N	-1	1	344.407	3.045	1	30	endogenous,in-man	EGEFMM
CCCCCCCc1[n-]c2ccc([N+](=O)[O-])cc2c(=O)c1C(N)=O	ZINC000169308241	528137928	/nfs/dbraw/zinc/13/79/28/528137928.db2.gz	ZYYNLKCPTZVIPQ-UHFFFAOYSA-N	-1	1	331.372	3.048	1	30		EGEFMM
C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC([O-])=CC(=O)[C@@]43C)[C@@H]1CC[C@]2(O)CCO	ZINC000012493753	211393775	/nfs/dbraw/zinc/39/37/75/211393775.db2.gz	RJKJQHWLCLYSHD-QWIARPPBSA-N	-1	1	348.483	3.373	1	30	endogenous,in-man	EGEFMM
N#Cc1c[n-]c(C(=O)Nc2ccc(CCO)cc2C2=CCCCC2)n1	ZINC000103285603	219283729	/nfs/dbraw/zinc/28/37/29/219283729.db2.gz	TUFVFYQJYMMHMV-UHFFFAOYSA-N	-1	1	336.395	3.026	1	30		EGEFMM
COc1cc2oc(C)cc([O-])c-2c(=O)c1CCC1=CC(=O)C[C@H](C)O1	ZINC000013385302	560216171	/nfs/dbraw/zinc/21/61/71/560216171.db2.gz	FFCFVSMYTTVAHJ-JTQLQIEISA-N	-1	1	344.363	3.010	1	30	biogenic,in-vitro	EGEFMM
COc1cc2oc(C)cc(=O)c2c([O-])c1CCC1=CC(=O)C[C@H](C)O1	ZINC000013385302	560216172	/nfs/dbraw/zinc/21/61/72/560216172.db2.gz	FFCFVSMYTTVAHJ-JTQLQIEISA-N	-1	1	344.363	3.010	1	30	biogenic,in-vitro	EGEFMM