smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(N2C(=O)[N-]C(=O)C(=CNc3cccc(C(=O)[O-])c3)C2=O)cc1C	ZINC000006276067	204173592	/nfs/dbraw/zinc/17/35/92/204173592.db2.gz	DUDOFWCTXZUFMF-MHWRWJLKSA-N	-2	0	379.372	2.580	50	10		GFCARL
CCn1c(C)cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c1C	ZINC000004739723	204071770	/nfs/dbraw/zinc/07/17/70/204071770.db2.gz	RHDJEBLCGQAOFJ-MHWRWJLKSA-N	-2	0	397.456	2.654	50	10		GFCARL
O=C([O-])c1ccc(N2C(=O)/C(=C/c3ccc(Cl)s3)C(=O)[N-]C2=S)cc1	ZINC000004746554	204072934	/nfs/dbraw/zinc/07/29/34/204072934.db2.gz	JCOCBNQZENMXCO-YRNVUSSQSA-N	-2	0	392.845	2.931	50	10		GFCARL
O=C([O-])COc1ccc(C=C2SC(Nc3cccc(C(=O)[O-])c3)=NC2=O)cc1	ZINC000006402353	204177381	/nfs/dbraw/zinc/17/73/81/204177381.db2.gz	LFTHMLZRVSHDCV-OVCLIPMQSA-N	-2	0	398.396	2.931	50	10		GFCARL
Cc1[n-]n(-c2ccccc2)c(=O)c1CN=Nc1nnc2c3ccccc3nc-2[n-]1	ZINC000015018420	570872345	/nfs/dbraw/zinc/87/23/45/570872345.db2.gz	VGDNNEFKAQPECJ-RVDMUPIBSA-N	-2	0	384.403	2.729	50	10		GFCARL
Cc1cccc(N2C(=O)[N-]C(=O)C(=CNc3cc(C(=O)[O-])ccc3C)C2=O)c1	ZINC000004797351	204076358	/nfs/dbraw/zinc/07/63/58/204076358.db2.gz	DKIUJYWDITYAEH-GDNBJRDFSA-N	-2	0	379.372	2.580	50	10		GFCARL
CC(=C\c1ccccc1)/C=C1/SC(=S)N([C@H](CC(=O)[O-])C(=O)[O-])C1=O	ZINC000012032482	204368883	/nfs/dbraw/zinc/36/88/83/204368883.db2.gz	RCAFWOXJKZFEIK-WNUBXVSFSA-N	-2	0	377.443	2.762	50	10		GFCARL
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc([O-])c([N+](=O)[O-])c3)C2=O)cc1	ZINC000016216912	204591815	/nfs/dbraw/zinc/59/18/15/204591815.db2.gz	RHKZSGKUQXZSPR-MDWZMJQESA-N	-2	0	383.316	2.816	50	10		GFCARL
O=C([O-])CN1C(=O)/C(=C\c2ccc(-c3ccc(C(=O)[O-])cc3)o2)SC1=S	ZINC000002907997	570317827	/nfs/dbraw/zinc/31/78/27/570317827.db2.gz	PSBPROHGLMBZJH-NTUHNPAUSA-N	-2	0	389.410	2.931	50	10		GFCARL
O=C([O-])CC[C@H](C(=O)[O-])N1C(=O)/C(=C/C=C/c2ccccc2)SC1=S	ZINC000004313421	204038298	/nfs/dbraw/zinc/03/82/98/204038298.db2.gz	WVIZYGPBNNJIBH-KWKMDBODSA-N	-2	0	377.443	2.762	50	10		GFCARL
CC(C)n1[nH]c(=O)c2c1nc1c3ccc(O)c([O-])c3oc1c2-c1ccc[nH]c1=O	ZINC000085875490	570262874	/nfs/dbraw/zinc/26/28/74/570262874.db2.gz	XRDUIPMBHJBVSZ-UHFFFAOYSA-N	-2	0	392.371	2.971	50	10		GFCARL
Cc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)c(C)n1-c1ccc(C(=O)[O-])cc1	ZINC000016268348	207073947	/nfs/dbraw/zinc/07/39/47/207073947.db2.gz	QXOUIMBWPVALMR-YVMONPNESA-N	-3	0	396.359	2.660	50	10		GFCARL
O=C([O-])c1cc(NC=C2C(=O)[N-]C(=O)N(c3ccccc3)C2=O)ccc1Cl	ZINC000019117592	207103404	/nfs/dbraw/zinc/10/34/04/207103404.db2.gz	ZZJVXFBBYFBCOO-LCYFTJDESA-N	-2	0	385.763	2.617	50	10		GFCARL
O=C([O-])c1cccc(NC=C2C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c1	ZINC000004459194	570785908	/nfs/dbraw/zinc/78/59/08/570785908.db2.gz	FENMMQFOJXRKGE-ZROIWOOFSA-N	-2	0	385.763	2.617	50	10		GFCARL
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc(O)cc2OC(F)(F)F)ccc1[O-]	ZINC000170617698	570875114	/nfs/dbraw/zinc/87/51/14/570875114.db2.gz	JKGBUPIBLZJMII-UHFFFAOYSA-N	-2	0	394.283	2.705	50	10		GFCARL
Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)[O-])cc3)C2=O)c1	ZINC000009045160	570546681	/nfs/dbraw/zinc/54/66/81/570546681.db2.gz	IDIGBPJPEGXFHG-YBEGLDIGSA-N	-2	0	380.356	2.965	50	10		GFCARL
O=C([O-])Cn1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCCC3)C2=O)c2ccccc21	ZINC000004682190	570830172	/nfs/dbraw/zinc/83/01/72/570830172.db2.gz	FKOUTBKESGRADS-MHWRWJLKSA-N	-2	0	395.415	2.520	50	10		GFCARL
COc1cc([N+](=O)[O-])cc(C=C2C(=O)[N-]C(=O)N(c3ccccc3)C2=O)c1[O-]	ZINC000015723043	207056154	/nfs/dbraw/zinc/05/61/54/207056154.db2.gz	SAWFOHQCUJZQMT-JYRVWZFOSA-N	-2	0	383.316	2.816	50	10		GFCARL
O=C([O-])c1ccccc1NC=C1C(=O)[N-]C(=O)N(c2cccc(Cl)c2)C1=O	ZINC000103790762	570888955	/nfs/dbraw/zinc/88/89/55/570888955.db2.gz	MJKMSOWAQWSIOA-UKTHLTGXSA-N	-2	0	385.763	2.617	50	10		GFCARL
O=C([O-])c1ccc(N2C(=O)[N-]C(=O)/C(=C\c3cc4ccccc4[nH]3)C2=O)cc1	ZINC000001137914	136196011	/nfs/dbraw/zinc/19/60/11/136196011.db2.gz	JAABPPKJHHDVPY-XNTDXEJSSA-N	-2	0	375.340	2.533	50	10		GFCARL
CC(=C\c1ccccc1)/C=C1\SC(=S)N([C@@H](CC(=O)[O-])C(=O)[O-])C1=O	ZINC000005163114	551096495	/nfs/dbraw/zinc/09/64/95/551096495.db2.gz	RCAFWOXJKZFEIK-BECVPZJDSA-N	-2	0	377.443	2.762	50	10		GFCARL
CC1=NN(c2cc(C(=O)[O-])cc(C(=O)[O-])c2)C(=O)/C1=C\c1ccc(N(C)C)cc1	ZINC000004844819	570339053	/nfs/dbraw/zinc/33/90/53/570339053.db2.gz	HEIBIWZLPGRPMB-LSCVHKIXSA-N	-2	0	393.399	2.955	50	10		GFCARL
O=C([O-])CC[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccccc2Cl)SC1=S	ZINC000004357058	570696881	/nfs/dbraw/zinc/69/68/81/570696881.db2.gz	RNQRSPKFCIMNLJ-QBQSQJOESA-N	-2	0	385.850	2.859	50	10		GFCARL
O=C([O-])c1ccc(NC=C2C(=O)[N-]C(=O)N(CCC3=CCCCC3)C2=O)cc1	ZINC000002393647	209361781	/nfs/dbraw/zinc/36/17/81/209361781.db2.gz	QKOJQTYSZQHMSN-FOWTUZBSSA-N	-2	0	383.404	2.650	50	10		GFCARL
O=C([O-])CC[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2ccccc2Cl)SC1=S	ZINC000027530442	551123282	/nfs/dbraw/zinc/12/32/82/551123282.db2.gz	RNQRSPKFCIMNLJ-VUBLIPMDSA-N	-2	0	385.850	2.859	50	10		GFCARL
Cc1ccc(/N=N/c2cc(C)c(S(=O)(=O)[O-])cc2N)cc1S(=O)(=O)[O-]	ZINC000004235236	209471787	/nfs/dbraw/zinc/47/17/87/209471787.db2.gz	NFZXYKAUWJHVTR-WUKNDPDISA-N	-2	0	385.423	2.794	50	10		GFCARL
O=C([O-])COc1ccc(/C=C2/C(=O)[N-]C(=O)N(CCC3=CCCCC3)C2=O)cc1	ZINC000017043297	570925035	/nfs/dbraw/zinc/92/50/35/570925035.db2.gz	FWHAMCWARVBIQQ-ATVHPVEESA-N	-2	0	398.415	2.502	50	10		GFCARL
O=C([O-])c1ccccc1NC=C1C(=O)[N-]C(=O)N(CCC2=CCCCC2)C1=O	ZINC000002426946	209364142	/nfs/dbraw/zinc/36/41/42/209364142.db2.gz	CAGHOFVDEVXRDI-QINSGFPZSA-N	-2	0	383.404	2.650	50	10		GFCARL
Cc1[nH]c2ccccc2c1/C=C1\C(=O)[N-]C(=O)N(c2ccc(C(=O)[O-])cc2)C1=O	ZINC000001406461	136193293	/nfs/dbraw/zinc/19/32/93/136193293.db2.gz	NDCNOZOSQVRTCN-MHWRWJLKSA-N	-2	0	389.367	2.841	50	10		GFCARL
O=C([O-])CN1C(=O)/C(=C\c2ccc(-c3cccc(C(=O)[O-])c3)o2)SC1=S	ZINC000002915127	209396500	/nfs/dbraw/zinc/39/65/00/209396500.db2.gz	YYSBLZVXTCMYQK-NTUHNPAUSA-N	-2	0	389.410	2.931	50	10		GFCARL
O=C([O-])COc1ccccc1C=C1C(=O)[N-]C(=O)N(c2ccccc2F)C1=O	ZINC000015769852	136201904	/nfs/dbraw/zinc/20/19/04/136201904.db2.gz	NYVFGODZDZXCOJ-XFXZXTDPSA-N	-2	0	384.319	2.796	50	10		GFCARL
O=C([O-])CC[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccccc2Cl)SC1=S	ZINC000004357062	220709850	/nfs/dbraw/zinc/70/98/50/220709850.db2.gz	RNQRSPKFCIMNLJ-PAKSIRSJSA-N	-2	0	385.850	2.859	50	10		GFCARL
O=C([O-])c1cc(NS(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3)ccc1O	ZINC000002497170	570288680	/nfs/dbraw/zinc/28/86/80/570288680.db2.gz	ALNRIGYRTBFZIT-UHFFFAOYSA-N	-2	0	384.369	2.610	50	10		GFCARL
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc([O-])c([N+](=O)[O-])c3)C2=O)cc1C	ZINC000002735757	570296983	/nfs/dbraw/zinc/29/69/83/570296983.db2.gz	WOUFQFAAFZBMNU-RIYZIHGNSA-N	-2	0	381.344	2.584	50	10		GFCARL
Cc1cc(C)cc(N2C(=O)C(=CNc3ccc(C(=O)[O-])cc3)C(=O)[N-]C2=S)c1	ZINC000020234699	570249389	/nfs/dbraw/zinc/24/93/89/570249389.db2.gz	WYOJKIJTZAZRDS-YBEGLDIGSA-N	-2	0	395.440	2.745	50	10		GFCARL
O=C([O-])CC[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2c[nH]c3ccccc23)SC1=S	ZINC000002406850	220530961	/nfs/dbraw/zinc/53/09/61/220530961.db2.gz	VYFSJVGPUYEOJU-BPLGCGBFSA-N	-2	0	390.442	2.687	50	10		GFCARL
CC(=C\c1ccccc1)/C=C1\SC(=S)N([C@H](CC(=O)[O-])C(=O)[O-])C1=O	ZINC000005163116	220837897	/nfs/dbraw/zinc/83/78/97/220837897.db2.gz	RCAFWOXJKZFEIK-LUNTWIETSA-N	-2	0	377.443	2.762	50	10		GFCARL
COc1ccc(-n2c(C)cc(C=Cc3nc([O-])c([N+](=O)[O-])c(=O)[n-]3)c2C)cc1	ZINC000013571185	570759140	/nfs/dbraw/zinc/75/91/40/570759140.db2.gz	FVRLLPQGILPLRC-RUDMXATFSA-N	-2	0	382.376	2.970	50	10		GFCARL
Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(O[C@@H](C)C(=O)[O-])cc2)C1=O	ZINC000002805852	570517656	/nfs/dbraw/zinc/51/76/56/570517656.db2.gz	FNEDIXIYGNRHRF-XDUBLRSXSA-N	-2	0	394.383	2.513	50	10		GFCARL
CC1=NN(c2ccc(C(=O)[O-])cc2)C(=O)/C1=C/c1ccc(OCC(=O)[O-])cc1	ZINC000100974703	570784512	/nfs/dbraw/zinc/78/45/12/570784512.db2.gz	PJKSHSVPPIPSRX-LICLKQGHSA-N	-2	0	380.356	2.654	50	10		GFCARL
CCc1ccc(/C=C2\SC(=S)N([C@@H](CCC(=O)[O-])C(=O)[O-])C2=O)cc1	ZINC000004356792	204040881	/nfs/dbraw/zinc/04/08/81/204040881.db2.gz	WRAWTUFYFOYHMA-VWLVURMCSA-N	-2	0	379.459	2.768	50	10		GFCARL
Cc1ccc(N2C(=O)[N-]C(=O)C(=CNc3ccc(Cl)c(C(=O)[O-])c3)C2=O)cc1	ZINC000020233856	570249408	/nfs/dbraw/zinc/24/94/08/570249408.db2.gz	NUMDPEJYAAXPIO-ZROIWOOFSA-N	-2	0	399.790	2.925	50	10		GFCARL
O=C([O-])c1cccc(N2C(=O)/C(=C/c3c[nH]c4ccccc34)C(=O)[N-]C2=S)c1	ZINC000004739992	204071796	/nfs/dbraw/zinc/07/17/96/204071796.db2.gz	OCVAQHHVJSQXFW-OQLLNIDSSA-N	-2	0	391.408	2.697	50	10		GFCARL
CCc1ccc(/C=C2/SC(=S)N([C@@H](CCC(=O)[O-])C(=O)[O-])C2=O)cc1	ZINC000032708011	208988134	/nfs/dbraw/zinc/98/81/34/208988134.db2.gz	WRAWTUFYFOYHMA-OQZOHAQUSA-N	-2	0	379.459	2.768	50	10		GFCARL
CC(C)c1ccc(/C=C2\SC(=S)N([C@@H](CC(=O)[O-])C(=O)[O-])C2=O)cc1	ZINC000004357070	570696860	/nfs/dbraw/zinc/69/68/60/570696860.db2.gz	PXDRLCXZNFEVPD-BPLGCGBFSA-N	-2	0	379.459	2.939	50	10		GFCARL
CC1=NN(c2nnn[n-]2)C(=O)C1=Cc1ccc(-c2ccc(Cl)c(C(=O)[O-])c2)o1	ZINC000102570476	570852289	/nfs/dbraw/zinc/85/22/89/570852289.db2.gz	APTWCZFXQQUWJY-YRNVUSSQSA-N	-2	0	398.766	2.617	50	10		GFCARL
O=C([O-])c1ccccc1NC=C1C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O	ZINC000004459199	570785928	/nfs/dbraw/zinc/78/59/28/570785928.db2.gz	GBJDFCDOXMPEHK-LCYFTJDESA-N	-2	0	385.763	2.617	50	10		GFCARL
O=C([O-])c1cccc(N2C(=O)/C(=C\c3c[nH]c4ccccc34)C(=O)[N-]C2=S)c1	ZINC000009260243	206780138	/nfs/dbraw/zinc/78/01/38/206780138.db2.gz	OCVAQHHVJSQXFW-DHDCSXOGSA-N	-2	0	391.408	2.697	50	10		GFCARL
O=C([O-])Cn1cc(C=C2C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)c2ccccc21	ZINC000027570538	207327873	/nfs/dbraw/zinc/32/78/73/207327873.db2.gz	LMWQLIRBBJECLS-OVCLIPMQSA-N	-2	0	393.355	2.821	50	10		GFCARL
COc1cc(/C=C2/C(C)=NN(c3cccc(C(=O)[O-])c3)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000004499175	570814053	/nfs/dbraw/zinc/81/40/53/570814053.db2.gz	JJLZHTXIFLLODL-NSIKDUERSA-N	-2	0	397.343	2.813	50	10		GFCARL
CCOc1ccc(/C=C2\SC(=S)N([C@@H](CCC(=O)[O-])C(=O)[O-])C2=O)cc1	ZINC000004356845	208544534	/nfs/dbraw/zinc/54/45/34/208544534.db2.gz	VHOXPYVHSYZXEK-VWLVURMCSA-N	-2	0	395.458	2.605	50	10		GFCARL
CC1=NN(c2ccc(C(=O)[O-])cc2)C(=O)/C1=C\c1ccc(OCC(=O)[O-])cc1	ZINC000013915016	570902740	/nfs/dbraw/zinc/90/27/40/570902740.db2.gz	PJKSHSVPPIPSRX-YVLHZVERSA-N	-2	0	380.356	2.654	50	10		GFCARL
O=C([O-])c1ccc(N2C(=O)/C(=C/c3c[nH]c4ccccc34)C(=O)[N-]C2=S)cc1	ZINC000004746560	570958279	/nfs/dbraw/zinc/95/82/79/570958279.db2.gz	NTXQAYGETYKRIR-OQLLNIDSSA-N	-2	0	391.408	2.697	50	10		GFCARL
Cc1ccc(N2C(=O)[N-]C(=O)C(=CNc3ccc(C(=O)[O-])cc3)C2=O)cc1C	ZINC000101084630	136196270	/nfs/dbraw/zinc/19/62/70/136196270.db2.gz	BDDUGEVGAXZWAK-MHWRWJLKSA-N	-2	0	379.372	2.580	50	10		GFCARL
CCc1ccc(/C=C2/SC(=S)N([C@H](CCC(=O)[O-])C(=O)[O-])C2=O)cc1	ZINC000032708014	570751655	/nfs/dbraw/zinc/75/16/55/570751655.db2.gz	WRAWTUFYFOYHMA-AUWXEVLLSA-N	-2	0	379.459	2.768	50	10		GFCARL
O=C([O-])CC[C@H](C(=O)[O-])N1C(=O)/C(=C\c2ccccc2Cl)SC1=S	ZINC000027530443	210515007	/nfs/dbraw/zinc/51/50/07/210515007.db2.gz	RNQRSPKFCIMNLJ-UEUZTHOGSA-N	-2	0	385.850	2.859	50	10		GFCARL
CC(=C\c1ccccc1)/C=C1/SC(=S)N([C@@H](CC(=O)[O-])C(=O)[O-])C1=O	ZINC000012032481	570599872	/nfs/dbraw/zinc/59/98/72/570599872.db2.gz	RCAFWOXJKZFEIK-GWGJLRCJSA-N	-2	0	377.443	2.762	50	10		GFCARL
O=C([O-])c1cc(NC=C2C(=O)[N-]C(=O)N(c3ccccc3)C2=O)ccc1Cl	ZINC000100261466	526347953	/nfs/dbraw/zinc/34/79/53/526347953.db2.gz	ZZJVXFBBYFBCOO-UKTHLTGXSA-N	-2	0	385.763	2.617	50	10		GFCARL
O=C([O-])COc1ccc(C=C2C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)cc1	ZINC000017028859	136202093	/nfs/dbraw/zinc/20/20/93/136202093.db2.gz	NVPVFFMZDATEQL-LCYFTJDESA-N	-2	0	384.319	2.796	50	10		GFCARL
O=C([O-])c1ccc(N2C(=O)[N-]C(=O)/C(=C\c3c[nH]c4ccccc34)C2=O)cc1	ZINC000004553160	209495937	/nfs/dbraw/zinc/49/59/37/209495937.db2.gz	RROQLCSOQPNLTB-OQLLNIDSSA-N	-2	0	375.340	2.533	50	10		GFCARL
O=C([O-])c1ccc(N2C(=O)/C(=C\c3c[nH]c4ccccc34)C(=O)[N-]C2=S)cc1	ZINC000009324327	570555073	/nfs/dbraw/zinc/55/50/73/570555073.db2.gz	NTXQAYGETYKRIR-DHDCSXOGSA-N	-2	0	391.408	2.697	50	10		GFCARL
CC1=NC(=NNc2ccc(C(=O)[O-])cc2)C(COP(=O)([O-])[O-])=C(C=O)C1=O	ZINC000004392984	209171541	/nfs/dbraw/zinc/17/15/41/209171541.db2.gz	NPBWMMRUXMTIRC-ISLYRVAYSA-N	-3	0	395.264	2.631	50	10	in-vitro	GFCARL
CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)[O-])cc3)C2=O)cc1	ZINC000002589573	209369262	/nfs/dbraw/zinc/36/92/62/209369262.db2.gz	NZIORINKVSYPHW-GZTJUZNOSA-N	-2	0	394.383	2.583	50	10		GFCARL
CC(C)c1ccc(/C=C2\SC(=S)N([C@H](CC(=O)[O-])C(=O)[O-])C2=O)cc1	ZINC000004357072	570696893	/nfs/dbraw/zinc/69/68/93/570696893.db2.gz	PXDRLCXZNFEVPD-BFTHVDOESA-N	-2	0	379.459	2.939	50	10		GFCARL
Cc1ccc(N2C(=O)[N-]C(=O)C(=CNc3cc(C(=O)[O-])ccc3C)C2=O)cc1	ZINC000028632414	570462166	/nfs/dbraw/zinc/46/21/66/570462166.db2.gz	OAEGGGAPIWTUNY-GDNBJRDFSA-N	-2	0	379.372	2.580	50	10		GFCARL
O=C([O-])CC[C@@H](C(=O)[O-])N1C(=O)/C(=C/C=C/c2ccccc2)SC1=S	ZINC000001889511	212258320	/nfs/dbraw/zinc/25/83/20/212258320.db2.gz	WVIZYGPBNNJIBH-XZBXBXBBSA-N	-2	0	377.443	2.762	50	10		GFCARL
Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(O[C@H](C)C(=O)[O-])cc2)C1=O	ZINC000002805854	570517702	/nfs/dbraw/zinc/51/77/02/570517702.db2.gz	FNEDIXIYGNRHRF-KWWJGWKXSA-N	-2	0	394.383	2.513	50	10		GFCARL
O=C([O-])COc1ccc(/C=C2\C(=O)[N-]C(=O)N(CCC3=CCCCC3)C2=O)cc1	ZINC000001155637	570758036	/nfs/dbraw/zinc/75/80/36/570758036.db2.gz	FWHAMCWARVBIQQ-SFQUDFHCSA-N	-2	0	398.415	2.502	50	10		GFCARL
Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(O[C@H](C)C(=O)[O-])cc3)C2=O)c1	ZINC000002299723	570989123	/nfs/dbraw/zinc/98/91/23/570989123.db2.gz	NISXBIXFMSVWGO-VVBXCHJUSA-N	-2	0	394.383	2.513	50	10		GFCARL
O=C([O-])c1ccc(NC=C2C(=O)[N-]C(=O)N(CCC3=CCCCC3)C2=O)cc1	ZINC000101085453	534545037	/nfs/dbraw/zinc/54/50/37/534545037.db2.gz	QKOJQTYSZQHMSN-VBKFSLOCSA-N	-2	0	383.404	2.650	50	10		GFCARL
COc1cc(C=C2C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000034184765	570434783	/nfs/dbraw/zinc/43/47/83/570434783.db2.gz	GJOLGIMTAZPFKA-GHXNOFRVSA-N	-2	0	399.384	2.981	50	10		GFCARL
CCOc1ccc(/C=C2\SC(=S)N([C@H](CCC(=O)[O-])C(=O)[O-])C2=O)cc1	ZINC000004356847	570696453	/nfs/dbraw/zinc/69/64/53/570696453.db2.gz	VHOXPYVHSYZXEK-FNWMBBJUSA-N	-2	0	395.458	2.605	50	10		GFCARL
CCOc1ccc(C(=O)[O-])cc1/C=C1\C(=O)[N-]C(=O)N(c2ccccc2C)C1=O	ZINC000001184015	136196153	/nfs/dbraw/zinc/19/61/53/136196153.db2.gz	QZIIQOQCENUWDR-RVDMUPIBSA-N	-2	0	394.383	2.758	50	10		GFCARL
Cc1ccc(N2C(=O)[N-]C(=O)C(=CNc3ccccc3C(=O)[O-])C2=O)cc1C	ZINC000006276068	570356687	/nfs/dbraw/zinc/35/66/87/570356687.db2.gz	XXSMDTMRNNWJST-XNTDXEJSSA-N	-2	0	379.372	2.580	50	10		GFCARL
COc1cc(C=C2C(=O)[N-]C(=O)N(c3ccccc3)C2=O)ccc1OCC(=O)[O-]	ZINC000013801336	221289558	/nfs/dbraw/zinc/28/95/58/221289558.db2.gz	GMGNNHQEQGGMKB-ZROIWOOFSA-N	-2	0	396.355	2.665	50	10		GFCARL
CCc1ccc(/C=C2\SC(=S)N([C@H](CCC(=O)[O-])C(=O)[O-])C2=O)cc1	ZINC000004356794	570370464	/nfs/dbraw/zinc/37/04/64/570370464.db2.gz	WRAWTUFYFOYHMA-FNWMBBJUSA-N	-2	0	379.459	2.768	50	10		GFCARL
COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc1C(=O)[O-]	ZINC000002957965	536598267	/nfs/dbraw/zinc/59/82/67/536598267.db2.gz	DFAYYATWTQTYMT-MHWRWJLKSA-N	-2	0	394.383	2.677	50	10		GFCARL