smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@H](OS(C)(=O)=O)[C@H](O)CO	ZINC000072400168	520007747	/nfs/dbraw/zinc/00/77/47/520007747.db2.gz	DIGKQJJVWFSJQE-UAFMIMERSA-N	0	0	426.616	2.497	10	30	in-vitro	IEEERN
Cc1ccc(S(=O)(=O)OC[C@H](Cn2ccnc2[N+](=O)[O-])O[C@H]2CCCCO2)cc1	ZINC000035827279	525624011	/nfs/dbraw/zinc/62/40/11/525624011.db2.gz	ADKHTOXGXAAZSE-RDJZCZTQSA-N	0	0	425.463	2.417	10	30		IEEERN
CC1(C)CC2=C(C(=O)C1)[C@@]1(c3ccccc3-c3oc(N)nc31)C(=O)N2CN1CCOCC1	ZINC000020568323	520289509	/nfs/dbraw/zinc/28/95/09/520289509.db2.gz	OYDMUARBKZILFN-XMMPIXPASA-N	0	0	434.496	2.298	10	30		IEEERN
COc1ccc(C=NNC(=N)c2nonc2N)cc1Cn1nc(C)c(Br)c1C	ZINC000019645629	523440472	/nfs/dbraw/zinc/44/04/72/523440472.db2.gz	QDXVRHVIEJHACB-QPSGOUHRSA-N	0	0	447.297	2.024	10	30		IEEERN
CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C	ZINC000031350085	563083236	/nfs/dbraw/zinc/08/32/36/563083236.db2.gz	LAAFISZDLHQNFS-WGFKBPOKSA-N	0	0	438.467	2.169	10	30		IEEERN
C=C1C(=O)[C@]23C[C@@]1(O)C[C@H](OC(C)=O)[C@H]2[C@]1(C)CCC[C@@](C)(COC(C)=O)[C@H]1C[C@H]3O	ZINC000095914879	291329276	/nfs/dbraw/zinc/32/92/76/291329276.db2.gz	ZVPVWNQCJBMJLV-VKIZWZQCSA-N	0	0	434.529	2.325	10	30	biogenic,in-vitro	IEEERN
C=C(C)[C@@H]1Cc2c(ccc3c2O[C@@H]2[C@H](O)Oc4cc(OC)c(OC)cc4[C@]2(O)C3=O)O1	ZINC000031163268	518644479	/nfs/dbraw/zinc/64/44/79/518644479.db2.gz	XIEXZMWPZITEKI-UXVKIGTPSA-N	0	0	426.421	2.126	10	30		IEEERN
C=CC(C)(C)[C@]12CC(=O)C(=O)N3C(=Cc4c[nH]cn4)C(=O)N[C@]31N(OC)c1ccccc12	ZINC000033953697	518682330	/nfs/dbraw/zinc/68/23/30/518682330.db2.gz	JTJJJLSLKZFEPJ-BDVIMKIYSA-N	0	0	433.468	2.350	10	30		IEEERN
C=CCOC(=O)[C@H]1C(=O)C[C@@](C)(O)[C@H](C(=O)OCC=C)[C@@H]1c1ccc(O)c(OCC)c1	ZINC000020059138	518976862	/nfs/dbraw/zinc/97/68/62/518976862.db2.gz	CVDHRWKLIYGYRO-QTDGGUCWSA-N	0	0	432.469	2.289	10	30		IEEERN
CC(=O)O[C@]1(C(=O)CO)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@H](O)C[C@@]21C	ZINC000039351796	519758328	/nfs/dbraw/zinc/75/83/28/519758328.db2.gz	FPVRUILUEYSIMD-HRUDOODVSA-N	0	0	434.504	2.467	10	30		IEEERN
CO[C@H](COS(=O)(=O)c1ccc(C)cc1)OCCOS(=O)(=O)c1ccc(C)cc1	ZINC000078916503	523954774	/nfs/dbraw/zinc/95/47/74/523954774.db2.gz	XOFIBYLQFDNQQG-IBGZPJMESA-N	0	0	444.527	2.403	10	30		IEEERN
NS(=O)(=O)c1ccc(N=NCc2ccccc2I)c([N+](=O)[O-])c1	ZINC000012648950	527315198	/nfs/dbraw/zinc/31/51/98/527315198.db2.gz	ZMOVYCWXIMXDSU-LZYBPNLTSA-N	0	0	446.226	2.293	10	30		IEEERN
Cn1c2nc(N=NCc3ccc([N+](=O)[O-])cc3)n(CCc3ccccc3)c2c(=O)n(C)c1=O	ZINC000098008513	557232320	/nfs/dbraw/zinc/23/23/20/557232320.db2.gz	PSFYVTGDPMBSLG-UCQKPKSFSA-N	0	0	447.455	2.031	10	30		IEEERN
CC(=O)OCC1=C[C@H]2[C@@H]3C(C)(C)[C@]3(OC(C)=O)C[C@@H](C)[C@]2(O)[C@@H]2C=C(C)C(=O)[C@@]2(O)C1	ZINC000013827597	563010678	/nfs/dbraw/zinc/01/06/78/563010678.db2.gz	NFSCEXJSMYPVGG-BACQOSNCSA-N	0	0	432.513	2.101	10	30		IEEERN
CCCCCCCCCCCCCC[C@H](O)[C@H](O)[C@H](OS(C)(=O)=O)[C@H](O)CO	ZINC000103723479	520007828	/nfs/dbraw/zinc/00/78/28/520007828.db2.gz	DIGKQJJVWFSJQE-ZGXWSNOMSA-N	0	0	426.616	2.497	10	30		IEEERN
COc1ccc(C(C)N=Nc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])cc1	ZINC000009140558	523361740	/nfs/dbraw/zinc/36/17/40/523361740.db2.gz	HIMPJOGZPHWQPH-XSFVSMFZSA-N	0	0	434.474	2.460	10	30		IEEERN
COc1cc(CN=NC(=S)Nc2cccc(S(=O)(=O)N(C)C)c2)cc(OC)c1O	ZINC000008688002	562963178	/nfs/dbraw/zinc/96/31/78/562963178.db2.gz	VEVVVECBGNJWDH-YBFXNURJSA-N	0	0	438.531	2.392	10	30		IEEERN
CC#CC(=O)N1CCc2c(sc(S(=O)(=O)N(CCC)CC3CC3)c2C(=O)OC)C1	ZINC000014981850	568827842	/nfs/dbraw/zinc/82/78/42/568827842.db2.gz	LEKSYNYQNRMUCW-UHFFFAOYSA-N	0	0	438.571	2.253	10	30		IEEERN
C=C1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(C)=O	ZINC000030691649	556501937	/nfs/dbraw/zinc/50/19/37/556501937.db2.gz	DEFOZIFYUBUHHU-IYQKUMFPSA-N	0	0	432.488	2.387	10	30	in-man	IEEERN
O=C(ONCc1cnccc1C(F)(F)F)C(=O)ONCc1cnccc1C(F)(F)F	ZINC000095917994	557161245	/nfs/dbraw/zinc/16/12/45/557161245.db2.gz	CGVNEMKIQXAZQQ-UHFFFAOYSA-N	0	0	438.284	2.310	10	30		IEEERN
C=C[C@@H]1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1	ZINC000004172323	562942466	/nfs/dbraw/zinc/94/24/66/562942466.db2.gz	JGSKXHVNDZFORI-PVTFLPKTSA-N	0	0	432.488	2.195	10	30	in-man	IEEERN
CC(C)(C)C(=O)OCOC(=O)[C@H]1N2C(=O)[C@H](/[NH+]=C/N3CCCCCC3)[C@@H]2SC1(C)C	ZINC000011616335	569210141	/nfs/dbraw/zinc/21/01/41/569210141.db2.gz	NPGNOVNWUSPMDP-YUAJRPMDSA-N	0	0	439.578	2.412	10	30		IEEERN
C=C1C(=O)[C@]23C[C@H]1C[C@@H](O)[C@H]2[C@]1(C)[C@H](OC(C)=O)C[C@H](OC(C)=O)C(C)(C)[C@H]1C(=O)C3	ZINC000004097903	291329279	/nfs/dbraw/zinc/32/92/79/291329279.db2.gz	YVMIOJMVICZZJA-UIZRKYKGSA-N	0	0	432.513	2.387	10	30	biogenic,in-vitro	IEEERN
C=C[C@H]1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1	ZINC000036402763	563095043	/nfs/dbraw/zinc/09/50/43/563095043.db2.gz	JGSKXHVNDZFORI-UTBFEAQVSA-N	0	0	432.488	2.195	10	30	in-man	IEEERN
C=CCN1C(=O)[C@@]2(c3ccccc3-c3oc(N)nc32)C(C(=O)OCC)=C1CC(=O)OCC	ZINC000020167510	568855670	/nfs/dbraw/zinc/85/56/70/568855670.db2.gz	RTBJXHJLBRUSTG-QHCPKHFHSA-N	0	0	437.452	2.322	10	30		IEEERN
C=C1[C@H]2C[C@@]3([C@@H]1OC(C)=O)[C@@H](CC2)[C@@]12CO[C@]3(O)[C@@H](OC(C)=O)[C@@H]1C(C)(C)C=CC2=O	ZINC000095913979	291330106	/nfs/dbraw/zinc/33/01/06/291330106.db2.gz	VIZWMBLJPXPZSQ-CMJIRCKQSA-N	0	0	430.497	2.322	10	30	biogenic,in-vitro	IEEERN
C/C(=N/OCC(=O)OCC(=O)Nc1nnc(-c2ccccc2)o1)c1ccc2c(c1)OCO2	ZINC000097998278	518455834	/nfs/dbraw/zinc/45/58/34/518455834.db2.gz	SAIANXCYLIEXMF-MXAYSNPKSA-N	0	0	438.396	2.388	10	30		IEEERN
COCCOC(=O)C1=C(N)Nc2ccccc2[C@]12C(=O)OC(C)=C2C(=O)c1ccccc1	ZINC000020569127	523970339	/nfs/dbraw/zinc/97/03/39/523970339.db2.gz	GEZGDLDZWZUYSZ-XMMPIXPASA-N	0	0	434.448	2.424	10	30		IEEERN
Cc1ccc(S(=O)(=O)OC[C@@H](Cn2ccnc2[N+](=O)[O-])O[C@H]2CCCCO2)cc1	ZINC000035827278	525621643	/nfs/dbraw/zinc/62/16/43/525621643.db2.gz	ADKHTOXGXAAZSE-WBVHZDCISA-N	0	0	425.463	2.417	10	30		IEEERN
Cc1ccc(/C=c2\s/c(=C(/C#N)C(=O)N3CCCC3)n(Cc3ccco3)c2=O)s1	ZINC000012470241	525966078	/nfs/dbraw/zinc/96/60/78/525966078.db2.gz	HZGNJFVUZQYUIV-LWONHAKGSA-N	0	0	425.535	2.047	10	30		IEEERN
COc1cc(/C=N/N2C(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)cc(I)c1O	ZINC000009028302	556241683	/nfs/dbraw/zinc/24/16/83/556241683.db2.gz	OCICAXZUBLGCBB-LMLWXCFOSA-N	0	0	438.221	2.146	10	30		IEEERN
C=CCOC(=O)[C@H]1C(=O)C[C@@](C)(O)[C@@H](C(=O)OCC=C)[C@H]1c1ccc(OC)c(OC)c1	ZINC000036057960	518977422	/nfs/dbraw/zinc/97/74/22/518977422.db2.gz	FYTVLKXIRDHQFJ-XFGYDDDFSA-N	0	0	432.469	2.202	10	30		IEEERN
CC(=O)Nc1cccc(NC(=O)COC(=O)CO/N=C(/C)c2ccc3c(c2)OCO3)c1	ZINC000015933671	519741913	/nfs/dbraw/zinc/74/19/13/519741913.db2.gz	CVRQKKYOBRYTPB-CFRMEGHHSA-N	0	0	427.413	2.296	10	30		IEEERN
CC1(C)O[C@@H]2C[C@H]3[C@@H]4C=CC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1	ZINC000022055557	520612957	/nfs/dbraw/zinc/61/29/57/520612957.db2.gz	JWPZLQJLMNKVAZ-JNQJZLCISA-N	0	0	432.488	2.195	10	30	in-vitro	IEEERN
O=C(CNCc1ccco1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1	ZINC000082055866	563172868	/nfs/dbraw/zinc/17/28/68/563172868.db2.gz	UIHMIENFNCUFRY-UHFFFAOYSA-N	0	0	448.545	2.279	10	30		IEEERN
C=CCNC(=O)[C@H]1CCCN1C(=O)c1ccc(NS(=O)(=O)c2ccc(OC)cc2)cc1	ZINC000021712930	518928927	/nfs/dbraw/zinc/92/89/27/518928927.db2.gz	NSODKEXRYVWIID-HXUWFJFHSA-N	0	0	443.525	2.403	10	30		IEEERN
C=CCOC(=O)C1=C(C)OC(=O)[C@@]12c1cc(Br)ccc1NC(N)=C2C(=O)OC	ZINC000020569000	518973330	/nfs/dbraw/zinc/97/33/30/518973330.db2.gz	YZJORLFFPIAWKH-IBGZPJMESA-N	0	0	449.257	2.016	10	30		IEEERN
COc1cc(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@@H]3C2=O)cc(I)c1O	ZINC000009028304	556241622	/nfs/dbraw/zinc/24/16/22/556241622.db2.gz	OCICAXZUBLGCBB-UTDFZYAKSA-N	0	0	438.221	2.146	10	30		IEEERN
O=[N+]([O-])c1cc2c(cc1/C=N/NS(=O)(=O)c1ccc(Br)cc1)OCO2	ZINC000003252119	562933343	/nfs/dbraw/zinc/93/33/43/562933343.db2.gz	RKANUMUYYCHAQK-FRKPEAEDSA-N	0	0	428.220	2.398	10	30		IEEERN
Cc1ccc(S(=O)(=O)OC[C@H](Cn2ccnc2[N+](=O)[O-])O[C@@H]2CCCCO2)cc1	ZINC000035827277	525622770	/nfs/dbraw/zinc/62/27/70/525622770.db2.gz	ADKHTOXGXAAZSE-DOTOQJQBSA-N	0	0	425.463	2.417	10	30		IEEERN
O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1N=NCc1ccc(F)c(F)c1	ZINC000012582452	527339879	/nfs/dbraw/zinc/33/98/79/527339879.db2.gz	ZQWJMISCARAUFO-RGVLZGJSSA-N	0	0	426.401	2.340	10	30		IEEERN
O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1N=NCc1c(F)cccc1F	ZINC000012564468	527339939	/nfs/dbraw/zinc/33/99/39/527339939.db2.gz	FLFSOLAPGIWENR-RGVLZGJSSA-N	0	0	426.401	2.340	10	30		IEEERN
COC(=O)c1cc(Br)ccc1-c1ccc(/C=N/NC(=N)c2nonc2N)o1	ZINC000002992589	555875397	/nfs/dbraw/zinc/87/53/97/555875397.db2.gz	OJINNRUROKXTBU-IFRROFPPSA-N	0	0	433.222	2.410	10	30		IEEERN
COc1ccccc1CNC(=O)CSc1nnc(NN=Cc2cccc(OC)c2O)[nH]1	ZINC000020274863	557005448	/nfs/dbraw/zinc/00/54/48/557005448.db2.gz	CMLNENLKFDVLES-SSDVNMTOSA-N	0	0	442.501	2.382	10	30		IEEERN
CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N1CCCCS(N)(=O)=O	ZINC000049784644	563139722	/nfs/dbraw/zinc/13/97/22/563139722.db2.gz	CKUVUKJYCLTZAY-UHFFFAOYSA-N	0	0	448.492	2.358	10	30		IEEERN
C=CCN1c2ccccc2[C@@]2(C(=O)OC(C)=C2C(=O)OC(C)C)C(C(=O)OCC)=C1N	ZINC000020609244	518877639	/nfs/dbraw/zinc/87/76/39/518877639.db2.gz	KMAGGLIUOIJZPI-QHCPKHFHSA-N	0	0	426.469	2.446	10	30		IEEERN
C=CCc1cc(/C=C2\SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc(OCC)c1O	ZINC000059186160	519125803	/nfs/dbraw/zinc/12/58/03/519125803.db2.gz	HJTPJHFNLCJABH-ATVHPVEESA-N	0	0	432.498	2.415	10	30		IEEERN
CCCCCCCCCCCCCC[C@H](O)[C@H](O)[C@@H](OS(C)(=O)=O)[C@@H](O)CO	ZINC000256078333	520007911	/nfs/dbraw/zinc/00/79/11/520007911.db2.gz	DIGKQJJVWFSJQE-MUGJNUQGSA-N	0	0	426.616	2.497	10	30		IEEERN
CC1(C)CC2=C(C(=O)C1)[C@]1(c3ccccc3-c3oc(N)nc31)C(=O)N2CN1CCOCC1	ZINC000020568322	520290902	/nfs/dbraw/zinc/29/09/02/520290902.db2.gz	OYDMUARBKZILFN-DEOSSOPVSA-N	0	0	434.496	2.298	10	30		IEEERN
COCCOC(=O)C1=C(N)Nc2ccccc2[C@@]12C(=O)OC(C)=C2C(=O)c1ccccc1	ZINC000020569126	523970288	/nfs/dbraw/zinc/97/02/88/523970288.db2.gz	GEZGDLDZWZUYSZ-DEOSSOPVSA-N	0	0	434.448	2.424	10	30		IEEERN
C=CCN1c2ccccc2[C@]2(C(=O)OC(C)=C2C(=O)OC(C)C)C(C(=O)OCC)=C1N	ZINC000020609245	518878741	/nfs/dbraw/zinc/87/87/41/518878741.db2.gz	KMAGGLIUOIJZPI-HSZRJFAPSA-N	0	0	426.469	2.446	10	30		IEEERN
C=CCNC(=O)[C@@H]1CCCN1C(=O)c1ccc(NS(=O)(=O)c2ccc(OC)cc2)cc1	ZINC000021712933	518920030	/nfs/dbraw/zinc/92/00/30/518920030.db2.gz	NSODKEXRYVWIID-FQEVSTJZSA-N	0	0	443.525	2.403	10	30		IEEERN
C=CCOC(=O)C1=C(C)OC(=O)[C@]12c1cc(Br)ccc1NC(N)=C2C(=O)OC	ZINC000020569001	518973743	/nfs/dbraw/zinc/97/37/43/518973743.db2.gz	YZJORLFFPIAWKH-LJQANCHMSA-N	0	0	449.257	2.016	10	30		IEEERN
COC(=O)[C@@H]1[C@@H](O)C2=CC(=O)CC[C@]2(C)[C@@]23O[C@@H]2C[C@@]2(C)[C@@H](CC[C@@]24CCC(=O)O4)[C@H]13	ZINC000022060643	523808973	/nfs/dbraw/zinc/80/89/73/523808973.db2.gz	DDHQRXOAZNEFKY-LRKJUHPMSA-N	0	0	430.497	2.095	10	30	in-vitro	IEEERN
NS(=O)(=O)c1ccc(NN=C2C(=O)N(c3ccccc3)N(c3ccccc3)C2=O)cc1	ZINC000001563188	562923028	/nfs/dbraw/zinc/92/30/28/562923028.db2.gz	LBCXESHXRQARKE-UHFFFAOYSA-N	0	0	435.465	2.097	10	30		IEEERN
COC[C@H]1OC(=O)c2coc3c2[C@@]1(C)C1=C(C3=O)[C@@H]2CCC(=O)[C@@]2(C)C[C@H]1C(=O)OC	ZINC000004262465	562942946	/nfs/dbraw/zinc/94/29/46/562942946.db2.gz	ZECFBQSMEPCVGW-VULILCKWSA-N	0	0	428.437	2.394	10	30		IEEERN
N#CC1(NC(=O)[C@H](CS(=O)(=O)CC2CC2)N[C@@H](c2ccc(F)cc2)C(F)(F)F)CC1	ZINC000014971148	563016549	/nfs/dbraw/zinc/01/65/49/563016549.db2.gz	NOTSCKFHTQJLMM-HOTGVXAUSA-N	0	0	447.454	2.384	10	30		IEEERN
C/C(=N/OCC(=O)OCC(=O)Nc1ccc(C(=O)N(C)C)cc1)c1ccc2c(c1)OCO2	ZINC000059499998	518456045	/nfs/dbraw/zinc/45/60/45/518456045.db2.gz	RSHMZWMONPWUSH-OYKKKHCWSA-N	0	0	441.440	2.040	10	30		IEEERN
C=CCN1C(=O)[C@]2(c3ccccc3-c3oc(N)nc32)C(C(=O)OCC)=C1CC(=O)OCC	ZINC000020167512	518849200	/nfs/dbraw/zinc/84/92/00/518849200.db2.gz	RTBJXHJLBRUSTG-HSZRJFAPSA-N	0	0	437.452	2.322	10	30		IEEERN
COc1cc(NC(=O)COC(=O)CO/N=C(/C)c2ccc3c(c2)OCO3)cc(OC)c1	ZINC000061967757	522664854	/nfs/dbraw/zinc/66/48/54/522664854.db2.gz	NSTYOCVAZKOPML-QRVIBDJDSA-N	0	0	430.413	2.355	10	30		IEEERN
CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(C(=O)CO)O1	ZINC000004340294	555988092	/nfs/dbraw/zinc/98/80/92/555988092.db2.gz	YNDXUCZADRHECN-YYQDXFJASA-N	0	0	434.504	2.419	10	30	in-vitro	IEEERN
CC(=O)OCC(=O)[C@@]1(O)[C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C	ZINC000004214095	562942697	/nfs/dbraw/zinc/94/26/97/562942697.db2.gz	HYRKAAMZBDSJFJ-LFDBJOOHSA-N	0	0	434.504	2.322	10	30	in-man	IEEERN
C=C1[C@H]2C[C@@]3([C@@H]1OC(C)=O)[C@@H](CC2)[C@@]12CO[C@]3(O)[C@@H](OC(C)=O)[C@@H]1C(C)(C)CC[C@H]2O	ZINC000095919103	291330104	/nfs/dbraw/zinc/33/01/04/291330104.db2.gz	GLBRPJYMFLHADY-BYPWJSGUSA-N	0	0	434.529	2.338	10	30	biogenic,in-vitro	IEEERN
CC(N=Nc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])c1ccc(C#N)cc1	ZINC000012311559	518464571	/nfs/dbraw/zinc/46/45/71/518464571.db2.gz	GVDOYRFYYPILTA-KGENOOAVSA-N	0	0	429.458	2.323	10	30		IEEERN
O=C(ONCc1ncccc1C(F)(F)F)C(=O)ONCc1ncccc1C(F)(F)F	ZINC000095917993	557161432	/nfs/dbraw/zinc/16/14/32/557161432.db2.gz	ALDIYSDCOPKAGS-UHFFFAOYSA-N	0	0	438.284	2.310	10	30		IEEERN