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)(CO)Nc1nc2sc(C(N)=O)c(N)c2c(-c2cccc([O-])c2F)n1	ZINC000073223466	222269313	/nfs/dbraw/zinc/26/93/13/222269313.db2.gz	ZHZSFNJGNIJMDB-UHFFFAOYSA-N	-1	3	391.428	2.067	1	0		GEAFHM
CN(C)[C@H](c1ccccc1)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)[n-]1	ZINC000014979604	581099923	/nfs/dbraw/zinc/09/99/23/581099923.db2.gz	RUBHAOAJRSDKHD-QGZVFWFLSA-N	-1	3	396.422	2.196	1	0		GEAFHM
O=C([O-])C[C@H](NC(=O)CCC(=O)Nc1ccc2c(c1)CNCC2)c1ccccc1	ZINC000058511929	205176469	/nfs/dbraw/zinc/17/64/69/205176469.db2.gz	TWQKVYIVXPBLEV-IBGZPJMESA-N	-1	3	395.459	2.383	1	0		GEAFHM
COc1cc2oc3c(nc(CN4CC[C@H](O)C4)[n-]c3=O)c2cc1Br	ZINC000084652964	205397181	/nfs/dbraw/zinc/39/71/81/205397181.db2.gz	NHINLCTWUHCISC-QMMMGPOBSA-N	-1	3	394.225	2.419	1	0		GEAFHM
COc1ccc2[nH]c(-n3cccn3)c(C3=C(Br)C(=O)[N-]C3=O)c2c1	ZINC000084670876	205397338	/nfs/dbraw/zinc/39/73/38/205397338.db2.gz	UUCDTXZTGCYFSE-UHFFFAOYSA-N	-1	3	387.193	2.125	1	0		GEAFHM
CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)C(c1ccccc1)c1ccccc1)C(=O)[O-]	ZINC000066123838	222137865	/nfs/dbraw/zinc/13/78/65/222137865.db2.gz	AXSTXHNSKAYCDJ-SXLOBPIMSA-N	-1	3	384.476	2.122	1	0		GEAFHM
O=C([N-]N1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1C=C[C@H]2[C@@H]2C[C@@H]21)c1ccccc1Br	ZINC000058566144	205177054	/nfs/dbraw/zinc/17/70/54/205177054.db2.gz	OLFJAAPWKAVFKS-GVHRXAAFSA-N	-1	3	387.233	2.147	1	0		GEAFHM
COc1cc2c3c(c1O)-c1cc(OC)c(OS(=O)(=O)[O-])cc1C[C@@H]3NCC2	ZINC000095099667	291115981	/nfs/dbraw/zinc/11/59/81/291115981.db2.gz	QXNNNQLHPKSGNF-LBPRGKRZSA-N	-1	3	393.417	2.001	1	0	biogenic,in-vitro	GEAFHM
COc1cnc2n1Cc1ccccc1C=C2N1CCN(CC(C)(C)C(=O)[O-])CC1	ZINC000058590739	205176923	/nfs/dbraw/zinc/17/69/23/205176923.db2.gz	XNVKJWRHFRDBHD-UHFFFAOYSA-N	-1	3	396.491	2.480	1	0		GEAFHM
Cc1c2c(OCCN3CCCC3)cc([O-])cc2oc(=O)c1N1CCN(C)CC1	ZINC000096914044	136187829	/nfs/dbraw/zinc/18/78/29/136187829.db2.gz	VNWDXXUUBXOJLL-UHFFFAOYSA-N	-1	3	387.480	2.033	1	0		GEAFHM
O=C1[N-]c2ccc(S(=O)(=O)N3CCC[C@H]3CNc3ccccc3)cc2C1=O	ZINC000003921763	204021631	/nfs/dbraw/zinc/02/16/31/204021631.db2.gz	UMHSZDAKIVGDNR-AWEZNQCLSA-N	-1	3	385.445	2.087	1	0		GEAFHM
CN1[C@@H]2CC[C@H]1CN(c1cc3c(cc1F)c(=O)c(C(=O)[O-])cn3CCF)CC2	ZINC000013650312	204501819	/nfs/dbraw/zinc/50/18/19/204501819.db2.gz	BIZLICKRCDETKA-OLZOCXBDSA-N	-1	3	391.418	2.481	1	0		GEAFHM
Cc1cc(C)c(S(=O)(=O)N[C@H](CNCc2ccccc2)C(=O)[O-])c(C)c1	ZINC000043024622	205082547	/nfs/dbraw/zinc/08/25/47/205082547.db2.gz	QZLYHEIAZSSEGV-QGZVFWFLSA-N	-1	3	376.478	2.133	1	0		GEAFHM
Cc1c(N2CC[C@@H](NCCF)C2)c(F)cn2c(=O)c(C(=O)[O-])cc(C3CC3)c12	ZINC000006520928	204182441	/nfs/dbraw/zinc/18/24/41/204182441.db2.gz	BWWJJEXAWHIZKB-CYBMUJFWSA-N	-1	3	391.418	2.460	1	0		GEAFHM
CCCC(=O)OCOP(=O)(CCCN([O-])C=O)OCOC(=O)CCC	ZINC000084604933	205396606	/nfs/dbraw/zinc/39/66/06/205396606.db2.gz	MLPZCEZQVSWPOM-UHFFFAOYSA-N	-1	3	383.334	2.052	1	0		GEAFHM
CN[C@H](C(=O)N[C@H](C(=O)N[C@H](/C=C(\C)C(=O)[O-])C(C)C)C(C)(C)C)C(C)(C)C	ZINC000040849106	205073916	/nfs/dbraw/zinc/07/39/16/205073916.db2.gz	BWYHDYROWKXLCN-CBPRKPJGSA-N	-1	3	397.560	2.323	1	0		GEAFHM
C[C@H]1CO[C@]2(C)Oc3c(c([O-])c(C(N)=O)c4c3C[C@@H]3[C@@H](C)CO[C@]3(C)O4)C[C@H]12	ZINC000096901211	205575122	/nfs/dbraw/zinc/57/51/22/205575122.db2.gz	HGKRRROATKYOHF-QQHFBSGMSA-N	-1	3	389.448	2.358	1	0		GEAFHM
CN1CCN(c2nc(C(=O)NCc3ccc(F)cc3)c([O-])c3ncccc32)CC1	ZINC000034820430	581100027	/nfs/dbraw/zinc/10/00/27/581100027.db2.gz	LQCQPBUEUDRVLA-UHFFFAOYSA-N	-1	3	395.438	2.156	1	0		GEAFHM
O=C([O-])C[C@@H](NC(=O)CCC(=O)Nc1ccc2c(c1)CNC2)c1ccccc1	ZINC000028383892	207341131	/nfs/dbraw/zinc/34/11/31/207341131.db2.gz	DBOQCKFLGLRZBD-GOSISDBHSA-N	-1	3	381.432	2.341	1	0		GEAFHM
O=C([O-])c1cn(C2CC2)c2c(cc(F)c(N3CCNCC3)c2OC(F)F)c1=O	ZINC000001915354	206394402	/nfs/dbraw/zinc/39/44/02/206394402.db2.gz	RBAUZVSUQJFECV-UHFFFAOYSA-N	-1	3	397.353	2.185	1	0		GEAFHM
CC1(C)CCC(C)(C)C1OC(=O)[C@H](NC(=O)[C@@H](N)CC(=O)[O-])c1ccccc1	ZINC000026006030	207308532	/nfs/dbraw/zinc/30/85/32/207308532.db2.gz	RKUNRCWOWXCZIC-GOEBONIOSA-N	-1	3	390.480	2.404	1	0		GEAFHM
Cc1cc(O)cc(C)c1[C@@H](C)[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-]	ZINC000026829563	207318831	/nfs/dbraw/zinc/31/88/31/207318831.db2.gz	FCXFTRJOTXZTEP-WNYOCNMUSA-N	-1	3	382.460	2.478	1	0		GEAFHM
Cc1cc(O)cc(C)c1[C@H](C)[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-]	ZINC000026819314	207319091	/nfs/dbraw/zinc/31/90/91/207319091.db2.gz	FCXFTRJOTXZTEP-DCPHZVHLSA-N	-1	3	382.460	2.478	1	0		GEAFHM
COc1cc2c3c(c1O)-c1cc(OC)c(OS(=O)(=O)[O-])cc1C[C@H]3NCC2	ZINC000095099668	291115988	/nfs/dbraw/zinc/11/59/88/291115988.db2.gz	QXNNNQLHPKSGNF-GFCCVEGCSA-N	-1	3	393.417	2.001	1	0	biogenic,in-vitro	GEAFHM
Cc1cc(O)cc(C)c1[C@@H](C)[C@@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-]	ZINC000026828991	207319584	/nfs/dbraw/zinc/31/95/84/207319584.db2.gz	FCXFTRJOTXZTEP-HEFCMCLBSA-N	-1	3	382.460	2.478	1	0		GEAFHM
NC(=O)c1cc([C@H](O)CN2CCN(c3ccc(Cl)cc3)CC2)ccc1[O-]	ZINC000026994534	207322979	/nfs/dbraw/zinc/32/29/79/207322979.db2.gz	ZUUJVRTUHLGCBC-GOSISDBHSA-N	-1	3	375.856	2.000	1	0		GEAFHM
CN(C)[C@H]1CCN(c2nc3c(cc2F)c(=O)c(C(=O)[O-])cn3C(C)(C)C)C1	ZINC000028765548	207347734	/nfs/dbraw/zinc/34/77/34/207347734.db2.gz	YIZFAZMGJJONSY-NSHDSACASA-N	-1	3	376.432	2.129	1	0		GEAFHM
CN1CCN(Cc2nc3c4cc(Br)ccc4oc3c(=O)[n-]2)CC1	ZINC000084708263	208097599	/nfs/dbraw/zinc/09/75/99/208097599.db2.gz	OOINHKLROPYETD-UHFFFAOYSA-N	-1	3	377.242	2.179	1	0	in-vitro	GEAFHM
CCCc1cc(=O)[nH]c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1	ZINC000026178116	207309914	/nfs/dbraw/zinc/30/99/14/207309914.db2.gz	BRNAJLABAKUJIG-UHFFFAOYSA-N	-1	3	388.431	2.385	1	0		GEAFHM
CCCc1cc(=O)[nH]c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1	ZINC000026178116	207309916	/nfs/dbraw/zinc/30/99/16/207309916.db2.gz	BRNAJLABAKUJIG-UHFFFAOYSA-N	-1	3	388.431	2.385	1	0		GEAFHM
Cc1cc(=O)c2c([O-])c3c(c([C@H](O)[C@H](O)C(C)(C)O)c2o1)OC(C)(C)C=C3	ZINC000014511601	207022339	/nfs/dbraw/zinc/02/23/39/207022339.db2.gz	YRDMYIZMXKJVCI-YJBOKZPZSA-N	-1	3	376.405	2.156	1	0		GEAFHM
O=C([O-])C[C@H](NC(=O)CCC(=O)Nc1ccc2c(c1)CNC2)c1ccccc1	ZINC000028383898	207341326	/nfs/dbraw/zinc/34/13/26/207341326.db2.gz	DBOQCKFLGLRZBD-SFHVURJKSA-N	-1	3	381.432	2.341	1	0		GEAFHM
O=C(Cn1cncn1)c1ccc2[nH]c3c4c(c5c(c3c2c1)C(=O)[N-]C5=O)CCC4	ZINC000082157528	208081606	/nfs/dbraw/zinc/08/16/06/208081606.db2.gz	IGOCWSKTDTXNEB-UHFFFAOYSA-N	-1	3	385.383	2.168	1	0		GEAFHM
CCCC[C@H](CN([O-])C=O)C(=O)N[C@H](C(=O)N1CCC(C)CC1)C(C)(C)C	ZINC000013537121	581092658	/nfs/dbraw/zinc/09/26/58/581092658.db2.gz	NMZYSGNWGWRGMN-IAGOWNOFSA-N	-1	3	383.533	2.430	1	0		GEAFHM
CN1CCN(c2ccc3[n-]c(-c4c(N)c5ccccc5[nH]c4=O)nc3n2)CC1	ZINC000036176832	581099929	/nfs/dbraw/zinc/09/99/29/581099929.db2.gz	ARXCFPVKEORMCL-UHFFFAOYSA-N	-1	3	375.436	2.213	1	0		GEAFHM
CN1CCN(c2ccc3nc(-c4c(N)c5ccccc5[nH]c4=O)nc-3[n-]2)CC1	ZINC000036176832	581099930	/nfs/dbraw/zinc/09/99/30/581099930.db2.gz	ARXCFPVKEORMCL-UHFFFAOYSA-N	-1	3	375.436	2.213	1	0		GEAFHM
CN1CCN(c2ccc3nc(-c4c(N)c5ccccc5[nH]c4=O)[n-]c3n2)CC1	ZINC000036176832	581099931	/nfs/dbraw/zinc/09/99/31/581099931.db2.gz	ARXCFPVKEORMCL-UHFFFAOYSA-N	-1	3	375.436	2.213	1	0		GEAFHM
CN(C)CC(=O)N(C)c1ccc2nc(-c3c(N)c4ccccc4[nH]c3=O)[n-]c2c1	ZINC000040957237	581099962	/nfs/dbraw/zinc/09/99/62/581099962.db2.gz	WNVADWMUVOLRPY-UHFFFAOYSA-N	-1	3	390.447	2.178	1	0		GEAFHM
CN(C)CC(=O)N(C)c1ccc2[n-]c(-c3c(N)c4ccccc4[nH]c3=O)nc2c1	ZINC000040957237	581099963	/nfs/dbraw/zinc/09/99/63/581099963.db2.gz	WNVADWMUVOLRPY-UHFFFAOYSA-N	-1	3	390.447	2.178	1	0		GEAFHM
CN(C[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)C(=O)C(=O)[N-]2)c1ccccc1	ZINC000026147941	207310776	/nfs/dbraw/zinc/31/07/76/207310776.db2.gz	FQCPNKOAAITTSG-HNNXBMFYSA-N	-1	3	399.472	2.111	1	0		GEAFHM
Cc1c(Cl)cccc1Cn1c2nc(N3CCOCC3)sc2c(=O)[n-]c1=O	ZINC000084741848	211174340	/nfs/dbraw/zinc/17/43/40/211174340.db2.gz	ATTUEJOKFCMKDX-UHFFFAOYSA-N	-1	3	392.868	2.405	1	0		GEAFHM
Cc1noc(C)c1CCC1CCN(S(=O)(=O)CC2(N([O-])C=O)CCC2)CC1	ZINC000071280574	211041953	/nfs/dbraw/zinc/04/19/53/211041953.db2.gz	XRFARLVFDBABAU-UHFFFAOYSA-N	-1	3	399.513	2.036	1	0		GEAFHM
CCCC[C@H](CN([O-])C=O)C(=O)N1CO[C@H](C)[C@H]1C(=O)Nc1ccc(C)cc1	ZINC000066080123	211000966	/nfs/dbraw/zinc/00/09/66/211000966.db2.gz	VLYAYAFXLUFXSH-NUJGCVRESA-N	-1	3	391.468	2.161	1	0		GEAFHM
CC1(C)C(=O)c2ccc(Br)cc2[C@@H](Oc2ccc(=O)[n-]n2)[C@@H]1O	ZINC000013832193	210093803	/nfs/dbraw/zinc/09/38/03/210093803.db2.gz	OSBVCNICJGMYOR-HIFRSBDPSA-N	-1	3	379.210	2.236	1	0		GEAFHM
CC[NH2+]C[C@H]1CCN(c2c(F)c([O-])c3c(=O)c(C(=O)[O-])cn(CC)c3c2F)C1	ZINC000013649718	210076669	/nfs/dbraw/zinc/07/66/69/210076669.db2.gz	PNHCXCTWESNAEJ-SNVBAGLBSA-N	-1	3	395.406	2.139	1	0		GEAFHM
CC[NH2+]C[C@H]1CCN(c2c(F)c(=O)c3c([O-])c(C(=O)[O-])cn(CC)c-3c2F)C1	ZINC000013649718	210076675	/nfs/dbraw/zinc/07/66/75/210076675.db2.gz	PNHCXCTWESNAEJ-SNVBAGLBSA-N	-1	3	395.406	2.139	1	0		GEAFHM
Cc1c(F)c(N2CCN[C@H](C)C2)c(F)c2c1c(=O)c(C(=O)[O-])cn2C1CC1	ZINC000013649769	210075133	/nfs/dbraw/zinc/07/51/33/210075133.db2.gz	GJJSZBAIPMVPLO-SECBINFHSA-N	-1	3	377.391	2.419	1	0		GEAFHM
COC(=O)Nc1nc2ccc(S(=O)(=O)NCc3ccccc3Cl)cc2[n-]1	ZINC000084605070	211171030	/nfs/dbraw/zinc/17/10/30/211171030.db2.gz	KSQWLJIGAHFLSH-UHFFFAOYSA-N	-1	3	394.840	2.295	1	0		GEAFHM
COC(=O)Nc1nc2cc(S(=O)(=O)NCc3ccccc3Cl)ccc2[n-]1	ZINC000084605070	211171033	/nfs/dbraw/zinc/17/10/33/211171033.db2.gz	KSQWLJIGAHFLSH-UHFFFAOYSA-N	-1	3	394.840	2.295	1	0		GEAFHM
O=c1cc(N2CCOCC2)nc(Cc2nc3cc(C(F)(F)F)ccc3[nH]2)[n-]1	ZINC000084757965	136175194	/nfs/dbraw/zinc/17/51/94/136175194.db2.gz	WVVBTZOIMQEYLX-UHFFFAOYSA-N	-1	3	379.342	2.092	1	0		GEAFHM
O=c1cc(N2CCOCC2)nc(Cc2nc3ccc(C(F)(F)F)cc3[nH]2)[n-]1	ZINC000084757965	136175195	/nfs/dbraw/zinc/17/51/95/136175195.db2.gz	WVVBTZOIMQEYLX-UHFFFAOYSA-N	-1	3	379.342	2.092	1	0		GEAFHM
CN(C)C(=O)[C@H]1C[C@H](Nc2nc(-c3ccccc3[O-])nc3ccccc32)CN1	ZINC000084489107	211169056	/nfs/dbraw/zinc/16/90/56/211169056.db2.gz	UQMQLMUUUGBCKS-SUMWQHHRSA-N	-1	3	377.448	2.233	1	0		GEAFHM
Cc1c2c(OC3CCN(C)CC3)cc([O-])cc2oc(=O)c1N1CCN(C)CC1	ZINC000096911655	136187871	/nfs/dbraw/zinc/18/78/71/136187871.db2.gz	MHTHGVSLECYCDW-UHFFFAOYSA-N	-1	3	387.480	2.032	1	0		GEAFHM
COC(=O)c1ccc(S(=O)(=O)Oc2ccc(/C=C/[N+](=O)[O-])cc2)cc1[O-]	ZINC000013823388	210093370	/nfs/dbraw/zinc/09/33/70/210093370.db2.gz	OZJIJKIJHCJHHV-CMDGGOBGSA-N	-1	3	379.346	2.194	1	0		GEAFHM
CC(=O)[N-]C1=NN(C(C)=O)[C@]2(CC(C)(C)Oc3ccc(OC(C)=O)cc32)S1	ZINC000098084193	211379795	/nfs/dbraw/zinc/37/97/95/211379795.db2.gz	IWIWJVQMDIUNTR-GOSISDBHSA-N	-1	3	391.449	2.328	1	0		GEAFHM
CCCS(=O)(=O)[N-]c1ccc(F)c(NC(=O)Nc2cc(N)ncn2)c1F	ZINC000084668841	211172187	/nfs/dbraw/zinc/17/21/87/211172187.db2.gz	XWBHPBYRUPXSMT-UHFFFAOYSA-N	-1	3	386.384	2.133	1	0		GEAFHM
COC(=O)Nc1nc2ccc(S(=O)(=O)NCc3ccc(Cl)cc3)cc2[n-]1	ZINC000084614647	211170918	/nfs/dbraw/zinc/17/09/18/211170918.db2.gz	VDDZGBXRUKKIOH-UHFFFAOYSA-N	-1	3	394.840	2.295	1	0		GEAFHM
COC(=O)Nc1nc2cc(S(=O)(=O)NCc3ccc(Cl)cc3)ccc2[n-]1	ZINC000084614647	211170923	/nfs/dbraw/zinc/17/09/23/211170923.db2.gz	VDDZGBXRUKKIOH-UHFFFAOYSA-N	-1	3	394.840	2.295	1	0		GEAFHM
Cn1cc2c(n1)nc([N-]C(=O)COc1ccccc1)n1nc(-c3ccco3)nc21	ZINC000096308852	581093629	/nfs/dbraw/zinc/09/36/29/581093629.db2.gz	GIZJFZFSTGLKAS-UHFFFAOYSA-N	-1	3	389.375	2.289	1	0		GEAFHM
COc1c2c(ccc1Br)oc1c2nc(CN2CC[C@H](O)C2)[n-]c1=O	ZINC000084653235	211173277	/nfs/dbraw/zinc/17/32/77/211173277.db2.gz	VHUSRVHZHNFBPK-QMMMGPOBSA-N	-1	3	394.225	2.419	1	0		GEAFHM
O=C(Cc1ccncc1)N1CCc2nc(-c3cc4ccccc4[nH]c3=O)[n-]c2C1	ZINC000084617176	211170230	/nfs/dbraw/zinc/17/02/30/211170230.db2.gz	QRENFRHOPYZDOA-UHFFFAOYSA-N	-1	3	385.427	2.441	1	0		GEAFHM
O=C(Cc1ccncc1)N1CCc2[n-]c(-c3cc4ccccc4[nH]c3=O)nc2C1	ZINC000084617176	211170235	/nfs/dbraw/zinc/17/02/35/211170235.db2.gz	QRENFRHOPYZDOA-UHFFFAOYSA-N	-1	3	385.427	2.441	1	0		GEAFHM
Cn1c(-c2cc(Cl)ccc2[O-])nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1	ZINC000018168125	210214582	/nfs/dbraw/zinc/21/45/82/210214582.db2.gz	TXRUQMVKCMBKGF-UHFFFAOYSA-N	-1	3	382.807	2.498	1	0		GEAFHM
O=C(CCN1C(=O)[C@H]2[C@@H](C1=O)[C@H]1C=C[C@@H]2[C@H]2C[C@H]21)Nc1ccc(Cl)cc1[O-]	ZINC000013845534	210094354	/nfs/dbraw/zinc/09/43/54/210094354.db2.gz	CAXIQVSZUQAKEM-ITQVKKSDSA-N	-1	3	386.835	2.427	1	0		GEAFHM
C[C@@H]1CN(c2c(F)cc3c(=O)c(C(=O)[O-])cn([C@H]4C[C@@H]4F)c3c2F)CCN1	ZINC000027096072	210509374	/nfs/dbraw/zinc/50/93/74/210509374.db2.gz	ZKANFWGDCSTQRW-WLTAIBSBSA-N	-1	3	381.354	2.059	1	0		GEAFHM
O=C([O-])CCN1Cc2ccc(NC(=O)c3ccc4c(c3)CNCC4)cc2C1=O	ZINC000072106251	222205428	/nfs/dbraw/zinc/20/54/28/222205428.db2.gz	OFMXNBIPYOLGBH-UHFFFAOYSA-N	-1	3	379.416	2.015	1	0		GEAFHM
CN(C)[C@@H](c1ccccc1)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)[n-]1	ZINC000014979601	581099954	/nfs/dbraw/zinc/09/99/54/581099954.db2.gz	RUBHAOAJRSDKHD-KRWDZBQOSA-N	-1	3	396.422	2.196	1	0		GEAFHM
CC(=O)[N-]C1=NN(C(C)=O)[C@@]2(CC(C)(C)Oc3ccc(OC(C)=O)cc32)S1	ZINC000098084194	211380465	/nfs/dbraw/zinc/38/04/65/211380465.db2.gz	IWIWJVQMDIUNTR-SFHVURJKSA-N	-1	3	391.449	2.328	1	0		GEAFHM
CN1CCN(Cc2ccc3nc(-c4c(N)c5ccccc5[nH]c4=O)[n-]c3c2)CC1	ZINC000040429688	581099974	/nfs/dbraw/zinc/09/99/74/581099974.db2.gz	JVYWSDGZGNKUKM-UHFFFAOYSA-N	-1	3	388.475	2.401	1	0		GEAFHM
CN1CCN(Cc2ccc3[n-]c(-c4c(N)c5ccccc5[nH]c4=O)nc3c2)CC1	ZINC000040429688	581099975	/nfs/dbraw/zinc/09/99/75/581099975.db2.gz	JVYWSDGZGNKUKM-UHFFFAOYSA-N	-1	3	388.475	2.401	1	0		GEAFHM
Cc1cc(O)cc(C)c1C[C@H](CN)C(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-]	ZINC000013802621	210092242	/nfs/dbraw/zinc/09/22/42/210092242.db2.gz	HVZIFQGIVOWFPA-XLIONFOSSA-N	-1	3	382.460	2.165	1	0		GEAFHM
O=C([O-])CCCN1Cc2ccc(NC(=O)c3ccc4c(c3)CNCC4)cc2C1=O	ZINC000072105142	222205808	/nfs/dbraw/zinc/20/58/08/222205808.db2.gz	AUYINRKEPFMZCG-UHFFFAOYSA-N	-1	3	393.443	2.405	1	0		GEAFHM
[O-]c1cc2c(cc1F)[C@H](O)[C@H](N1CCC(O)(c3ccc(F)cc3)CC1)CO2	ZINC000013779268	221288281	/nfs/dbraw/zinc/28/82/81/221288281.db2.gz	YSCGCOIEFKMGTK-APWZRJJASA-N	-1	3	377.387	2.448	1	0		GEAFHM
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CC(=O)[O-]	ZINC000013802618	221289107	/nfs/dbraw/zinc/28/91/07/221289107.db2.gz	QCIVCYVDUSZRHX-PXNSSMCTSA-N	-1	3	382.460	2.307	1	0		GEAFHM
O=C([C@@H]1Cc2ccc(-c3cccc(-c4nnn[n-]4)c3)cc2CN1)N1CC[C@H](F)C1	ZINC000014958964	221319859	/nfs/dbraw/zinc/31/98/59/221319859.db2.gz	XBWNUNHLYKHRFT-OALUTQOASA-N	-1	3	392.438	2.118	1	0		GEAFHM
O=C([C@@H]1Cc2ccc(-c3cccc(-c4nn[n-]n4)c3)cc2CN1)N1CC[C@H](F)C1	ZINC000014958964	221319860	/nfs/dbraw/zinc/31/98/60/221319860.db2.gz	XBWNUNHLYKHRFT-OALUTQOASA-N	-1	3	392.438	2.118	1	0		GEAFHM
C[C@@H]1NCCn2cc(-c3nc4c(cc3F)C(=O)[C@H](C(=O)[O-])CN4C3CC3)cc21	ZINC000045290128	132422696	/nfs/dbraw/zinc/42/26/96/132422696.db2.gz	KDMBUIROFLUEEN-IINYFYTJSA-N	-1	3	384.411	2.219	1	0		GEAFHM
O=C(CCN1C(=O)[C@@H]2[C@@H](C1=O)[C@@H]1C=C[C@H]2[C@@H]2C[C@@H]21)Nc1ccc(Cl)cc1[O-]	ZINC000013845537	221291847	/nfs/dbraw/zinc/29/18/47/221291847.db2.gz	CAXIQVSZUQAKEM-DSSREVGFSA-N	-1	3	386.835	2.427	1	0		GEAFHM
O=c1cc(N2CCOCC2)nc(Cc2nc3c(cccc3Br)o2)[n-]1	ZINC000084758373	136175253	/nfs/dbraw/zinc/17/52/53/136175253.db2.gz	IFSSAUGSPHWEQC-UHFFFAOYSA-N	-1	3	391.225	2.101	1	0		GEAFHM
C[C@](O)(C(=O)Nc1ccc(S(=O)(=O)c2cccc([O-])c2)cc1)C(F)(F)F	ZINC000013760151	221288455	/nfs/dbraw/zinc/28/84/55/221288455.db2.gz	JQXOEXCBLVHYEO-HNNXBMFYSA-N	-1	3	389.351	2.477	1	0		GEAFHM
CCCC[C@H](CN([O-])C=O)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N(C)C	ZINC000013537091	221272180	/nfs/dbraw/zinc/27/21/80/221272180.db2.gz	WYRIJXVSXCBBBR-WBVHZDCISA-N	-1	3	397.903	2.110	1	0		GEAFHM
C[C@@](O)(C(=O)Nc1ccc(S(=O)(=O)c2cccc([O-])c2)cc1)C(F)(F)F	ZINC000013760150	221287934	/nfs/dbraw/zinc/28/79/34/221287934.db2.gz	JQXOEXCBLVHYEO-OAHLLOKOSA-N	-1	3	389.351	2.477	1	0		GEAFHM
CC1(C)[C@H]2CC[C@H](C2)[C@@H]1OC(=O)[C@H](NC(=O)[C@@H](N)CC(=O)[O-])c1ccccc1	ZINC000095565516	222356553	/nfs/dbraw/zinc/35/65/53/222356553.db2.gz	YFVRRMMIGHFGGP-WBOSRHFRSA-N	-1	3	388.464	2.014	1	0		GEAFHM
Cc1cc(O)cc(C)c1C[C@@H](CN)C(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-]	ZINC000013802619	221289374	/nfs/dbraw/zinc/28/93/74/221289374.db2.gz	HVZIFQGIVOWFPA-PXNSSMCTSA-N	-1	3	382.460	2.165	1	0		GEAFHM
O=CN([O-])C[C@@H](CC1CCCC1)C(=O)N1CCCCN1C(=O)c1ccncc1	ZINC000072175168	222216997	/nfs/dbraw/zinc/21/69/97/222216997.db2.gz	WKQCBNJIZPABFL-GOSISDBHSA-N	-1	3	388.468	2.105	1	0		GEAFHM
O=C1[N-]c2ccc(S(=O)(=O)N3CCC[C@@H]3CNc3ccccc3)cc2C1=O	ZINC000001996395	212262090	/nfs/dbraw/zinc/26/20/90/212262090.db2.gz	UMHSZDAKIVGDNR-CQSZACIVSA-N	-1	3	385.445	2.087	1	0		GEAFHM
CN[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-]	ZINC000013765451	221287976	/nfs/dbraw/zinc/28/79/76/221287976.db2.gz	IJJCVNWFPAZCQT-PMACEKPBSA-N	-1	3	382.460	2.178	1	0		GEAFHM
Cc1cc(=O)c2c([O-])c3c(c([C@@H](O)[C@@H](O)C(C)(C)O)c2o1)OC(C)(C)C=C3	ZINC000014511593	221311256	/nfs/dbraw/zinc/31/12/56/221311256.db2.gz	YRDMYIZMXKJVCI-CRAIPNDOSA-N	-1	3	376.405	2.156	1	0		GEAFHM
C[C@@H](CC(=O)[O-])N1Cc2ccc(NC(=O)c3ccc4c(c3)CNCC4)cc2C1=O	ZINC000072105257	222205900	/nfs/dbraw/zinc/20/59/00/222205900.db2.gz	UWKPPOAXIFLKJM-ZDUSSCGKSA-N	-1	3	393.443	2.404	1	0		GEAFHM