smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1oc2c(ccc([O-])c2CN2CCCC[C@@H]2C)c(=O)c1-c1ccccc1	ZINC000020437983	210235405	/nfs/dbraw/zinc/23/54/05/210235405.db2.gz	SUNBMLHSCFCBOB-HNNXBMFYSA-N	-1	3	363.457	4.848	50	10		FJCAHM
COc1ccc([C@H](NC(=O)CC(C)C)c2c([O-])ccc3ccccc32)cc1	ZINC000002814778	204061044	/nfs/dbraw/zinc/06/10/44/204061044.db2.gz	SBEQKDJKIXQPDJ-QHCPKHFHSA-N	-1	3	363.457	4.806	50	10		FJCAHM
Cc1cccc(N[C@H](c2ccccc2F)c2ccc3cccnc3c2[O-])n1	ZINC000004123983	204123483	/nfs/dbraw/zinc/12/34/83/204123483.db2.gz	NFLUORGVNBEVNW-OAQYLSRUSA-N	-1	3	359.404	4.984	50	10		FJCAHM
COc1cccc(C2=N[C@H](C(C)C)N[C@H](c3cc(Cl)ccc3[O-])C2)c1	ZINC000004729688	204159436	/nfs/dbraw/zinc/15/94/36/204159436.db2.gz	VCKHPLJVEOHZIB-ICSRJNTNSA-N	-1	3	358.869	4.560	50	10		FJCAHM
Cc1ccc(C)c([C@H](Nc2ncccn2)c2ccc3cccnc3c2[O-])c1	ZINC000004865993	204170271	/nfs/dbraw/zinc/17/02/71/204170271.db2.gz	DSBAABFLXWEIFR-HXUWFJFHSA-N	-1	3	356.429	4.549	50	10		FJCAHM
COc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4[O-])=NN32)cc1	ZINC000006721595	204263802	/nfs/dbraw/zinc/26/38/02/204263802.db2.gz	MXLXOCAJLJZVNZ-NZQKXSOJSA-N	-1	3	372.424	4.643	50	10		FJCAHM
Cc1ccnc(N[C@H](c2ccncc2)c2ccc3ccc(C)nc3c2[O-])c1	ZINC000019843081	211259620	/nfs/dbraw/zinc/25/96/20/211259620.db2.gz	FIOVIGVOJAZZSD-HXUWFJFHSA-N	-1	3	356.429	4.549	50	10		FJCAHM
Cc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2ccccc2[O-])cc1	ZINC000248118510	524234618	/nfs/dbraw/zinc/23/46/18/524234618.db2.gz	WIIIZJHLBMRXNK-OFNKIYASSA-N	-1	3	356.425	4.943	50	10		FJCAHM
COc1cc(C2Nc3cccc4cccc(c43)N2)cc(Br)c1[O-]	ZINC000000625333	570439655	/nfs/dbraw/zinc/43/96/55/570439655.db2.gz	CKTGWRZQTGORDF-UHFFFAOYSA-N	-1	3	371.234	4.853	50	10		FJCAHM
COc1ccccc1[C@H](Nc1cc(C)ccn1)c1ccc2cccnc2c1[O-]	ZINC000005102517	570621263	/nfs/dbraw/zinc/62/12/63/570621263.db2.gz	GQRNKZGLDOVOCF-QFIPXVFZSA-N	-1	3	371.440	4.854	50	10		FJCAHM
Cc1ccc(O)c([C@H](Nc2cccc(C)n2)c2ccc3cccnc3c2[O-])c1	ZINC000005740234	570634782	/nfs/dbraw/zinc/63/47/82/570634782.db2.gz	PEZKPECHWDGWAI-JOCHJYFZSA-N	-1	3	371.440	4.859	50	10		FJCAHM
Cc1c([C@@H](C)NCc2cc(Cl)ccc2[O-])cnn1-c1cccc(F)c1	ZINC000012386989	570741374	/nfs/dbraw/zinc/74/13/74/570741374.db2.gz	VSSMZQQKGDUHPV-GFCCVEGCSA-N	-1	3	359.832	4.530	50	10		FJCAHM
CCOC(=O)c1c(NCc2cc(Cl)ccc2[O-])sc2c1CCCC2	ZINC000000975730	571141178	/nfs/dbraw/zinc/14/11/78/571141178.db2.gz	GTKGNSBIAYJFIP-UHFFFAOYSA-N	-1	3	365.882	4.775	50	10		FJCAHM
CSCC[C@@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3ccccc3[O-])=NN21	ZINC000006721630	571243555	/nfs/dbraw/zinc/24/35/55/571243555.db2.gz	GAKRXKSFTRYFJG-LPHOPBHVSA-N	-1	3	374.893	4.668	50	10		FJCAHM
[O-]c1ccccc1C1=NN2[C@H](C1)c1ccccc1O[C@@H]2c1ccc(F)cc1	ZINC000020070578	571327936	/nfs/dbraw/zinc/32/79/36/571327936.db2.gz	HVQOFMNBFJKVMT-DENIHFKCSA-N	-1	3	360.388	4.774	50	10		FJCAHM
Cc1oc2c(ccc([O-])c2CN2CCC[C@H](C)C2)c(=O)c1-c1ccccc1	ZINC000020358319	210236897	/nfs/dbraw/zinc/23/68/97/210236897.db2.gz	ULLJHZIGKGQYED-HNNXBMFYSA-N	-1	3	363.457	4.706	50	10		FJCAHM
Cc1ccc(S(=O)(=O)[N-]c2cc(C)c(O)c(Cl)c2C(C)C)cc1	ZINC000000947563	219345216	/nfs/dbraw/zinc/34/52/16/219345216.db2.gz	SUFSEAVZFFFBAM-UHFFFAOYSA-N	-1	3	353.871	4.587	50	10		FJCAHM
CCOc1ccc([C@H]2Nc3ccccc3-c3nc4ccccc4n32)c([O-])c1	ZINC000003291240	204088367	/nfs/dbraw/zinc/08/83/67/204088367.db2.gz	URIHHCPNWPTGMF-QFIPXVFZSA-N	-1	3	357.413	4.780	50	10		FJCAHM
Cc1ccc2ccc([C@H](Nc3ccccn3)c3cccc(O)c3)c([O-])c2n1	ZINC000004123980	204123095	/nfs/dbraw/zinc/12/30/95/204123095.db2.gz	XNVKOJUDUHKCBK-HXUWFJFHSA-N	-1	3	357.413	4.551	50	10		FJCAHM
CCOc1ccc([C@H](Nc2ccccn2)c2ccc3cccnc3c2[O-])cc1	ZINC000004164785	204124888	/nfs/dbraw/zinc/12/48/88/204124888.db2.gz	VMUHMDGSZGRPDO-NRFANRHFSA-N	-1	3	371.440	4.936	50	10		FJCAHM
COc1ccc(C2=NC3(CCCCC3)N[C@@H](c3ccccc3[O-])C2)cc1	ZINC000004730100	204158788	/nfs/dbraw/zinc/15/87/88/204158788.db2.gz	AEOYQZNHYLGBJP-HXUWFJFHSA-N	-1	3	350.462	4.585	50	10		FJCAHM
CCC[C@@]1(C)N=C(c2ccc(OCC)cc2)C[C@H](c2ccccc2[O-])N1	ZINC000004729848	204159268	/nfs/dbraw/zinc/15/92/68/204159268.db2.gz	KCNDGUITQQKEST-IRLDBZIGSA-N	-1	3	352.478	4.831	50	10		FJCAHM
CCOc1ccc([C@@H](Nc2ccccn2)c2c([O-])ccc3ncccc32)cc1	ZINC000004840963	204167963	/nfs/dbraw/zinc/16/79/63/204167963.db2.gz	YPSLZNUGTACETK-HSZRJFAPSA-N	-1	3	371.440	4.936	50	10		FJCAHM
Cc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccccc2[O-])cc1	ZINC000006211780	204241485	/nfs/dbraw/zinc/24/14/85/204241485.db2.gz	WIIIZJHLBMRXNK-NFBKMPQASA-N	-1	3	356.425	4.943	50	10		FJCAHM
[O-]c1ccccc1C1=NN2[C@H](C1)c1ccccc1O[C@H]2c1ccccc1F	ZINC000006721594	204263092	/nfs/dbraw/zinc/26/30/92/204263092.db2.gz	VMSBHEQZOQXOSW-KNQAVFIVSA-N	-1	3	360.388	4.774	50	10		FJCAHM
CC(C)C(=O)N[C@@H](c1cccs1)c1cc(Cl)c2cccnc2c1[O-]	ZINC000000801104	210272582	/nfs/dbraw/zinc/27/25/82/210272582.db2.gz	MUXXALTZLCUMQQ-OAHLLOKOSA-N	-1	3	360.866	4.517	50	10		FJCAHM
Cc1ccc(O)c([C@@H](Nc2cccc(C)n2)c2ccc3cccnc3c2[O-])c1	ZINC000005740238	570634622	/nfs/dbraw/zinc/63/46/22/570634622.db2.gz	PEZKPECHWDGWAI-QFIPXVFZSA-N	-1	3	371.440	4.859	50	10		FJCAHM
COc1ccc(C)cc1N[C@@H](c1ccccn1)c1ccc2cccnc2c1[O-]	ZINC000013816206	570791989	/nfs/dbraw/zinc/79/19/89/570791989.db2.gz	CBKAKNIYXPYCGO-JOCHJYFZSA-N	-1	3	371.440	4.854	50	10		FJCAHM
CC(C)c1cc([C@@H]2CCCN2Cc2cc(Br)ccc2[O-])no1	ZINC000021720189	570933318	/nfs/dbraw/zinc/93/33/18/570933318.db2.gz	LXLFAFUFFSDEBL-HNNXBMFYSA-N	-1	3	365.271	4.603	50	10		FJCAHM
CS[C@@H](C)C(=O)N[C@@H](c1ccccc1)c1c([O-])ccc2ccccc21	ZINC000048342538	570948299	/nfs/dbraw/zinc/94/82/99/570948299.db2.gz	OYOGEYYBSLATSR-XOBRGWDASA-N	-1	3	351.471	4.503	50	10		FJCAHM
[O-]c1ccc(Br)cc1CNc1cccc(OC(F)(F)F)c1	ZINC000044836231	571102102	/nfs/dbraw/zinc/10/21/02/571102102.db2.gz	ZQOZIGYXJNEFKQ-UHFFFAOYSA-N	-1	3	362.145	4.665	50	10		FJCAHM
[O-]c1ccc(Br)cc1[C@H]1CC(c2ccc3ccccc3c2)=NN1	ZINC000072332567	571123268	/nfs/dbraw/zinc/12/32/68/571123268.db2.gz	DGVCIIIXKXNJCH-GOSISDBHSA-N	-1	3	367.246	4.747	50	10		FJCAHM
CCC[C@@]1(C)N=C(c2ccc(OCC)cc2)C[C@@H](c2ccccc2[O-])N1	ZINC000004729844	571200969	/nfs/dbraw/zinc/20/09/69/571200969.db2.gz	KCNDGUITQQKEST-UNMCSNQZSA-N	-1	3	352.478	4.831	50	10		FJCAHM
CCC[C@@H]1N=C(c2cccc(Br)c2)C[C@@H](c2ccccc2[O-])N1	ZINC000004729700	571201067	/nfs/dbraw/zinc/20/10/67/571201067.db2.gz	VVIPURMTSDXVGG-PKOBYXMFSA-N	-1	3	373.294	4.805	50	10		FJCAHM
CCC(CC)C(=O)N1N=C(c2ccccc2[O-])C[C@H]1c1ccccc1C	ZINC000023042561	571204066	/nfs/dbraw/zinc/20/40/66/571204066.db2.gz	GYPKOBVGXMUEPO-FQEVSTJZSA-N	-1	3	350.462	4.815	50	10		FJCAHM
COc1cccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccccc4[O-])=NN32)c1	ZINC000020070642	571327897	/nfs/dbraw/zinc/32/78/97/571327897.db2.gz	JUFATVCUNXPDPU-NFBKMPQASA-N	-1	3	372.424	4.643	50	10		FJCAHM
CCOc1ccc([C@@H]2Nc3ccccc3-c3nc4ccccc4n32)c([O-])c1	ZINC000003291242	571346719	/nfs/dbraw/zinc/34/67/19/571346719.db2.gz	URIHHCPNWPTGMF-JOCHJYFZSA-N	-1	3	357.413	4.780	50	10		FJCAHM
C[C@@H](Nc1ccc(I)cc1)c1ccc(Cl)cc1[O-]	ZINC000002212319	204029437	/nfs/dbraw/zinc/02/94/37/204029437.db2.gz	IOYGXNZLQOTVAW-SECBINFHSA-N	-1	3	373.621	4.823	50	10		FJCAHM
COc1ccc([C@@H](Nc2ccccn2)c2ccc3ccc(C)nc3c2[O-])cc1	ZINC000004755067	204161715	/nfs/dbraw/zinc/16/17/15/204161715.db2.gz	AHNAFZFKKQYFAI-OAQYLSRUSA-N	-1	3	371.440	4.854	50	10		FJCAHM
CCOc1ccc([C@H](Nc2ccccn2)c2c([O-])ccc3ncccc32)cc1	ZINC000004840962	204167630	/nfs/dbraw/zinc/16/76/30/204167630.db2.gz	YPSLZNUGTACETK-QHCPKHFHSA-N	-1	3	371.440	4.936	50	10		FJCAHM
O=C(N[C@H](c1cccs1)c1ccc2cccnc2c1[O-])C1CCCCC1	ZINC000000869252	206138736	/nfs/dbraw/zinc/13/87/36/206138736.db2.gz	JCMVPOVHTZCXCY-IBGZPJMESA-N	-1	3	366.486	4.788	50	10		FJCAHM
CCCC(=O)N[C@@H](c1ccccc1)c1cc(Cl)c2cccnc2c1[O-]	ZINC000000801069	206134155	/nfs/dbraw/zinc/13/41/55/206134155.db2.gz	RSHNZQIRXYERPR-SFHVURJKSA-N	-1	3	354.837	4.600	50	10		FJCAHM
[O-]c1ccc(Br)cc1CN1CC=C(c2ccc(F)cc2)CC1	ZINC000023280000	211381638	/nfs/dbraw/zinc/38/16/38/211381638.db2.gz	LBFMDIKAJXIODC-UHFFFAOYSA-N	-1	3	362.242	4.583	50	10		FJCAHM
Cc1cccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccccc4[O-])=NN32)c1	ZINC000020070581	211265630	/nfs/dbraw/zinc/26/56/30/211265630.db2.gz	YXGAAQZMOMFLCZ-OFNKIYASSA-N	-1	3	356.425	4.943	50	10		FJCAHM
[O-]c1ccccc1C1=NN2[C@@H](C1)c1ccccc1O[C@@H]2c1ccc(F)cc1	ZINC000020070575	211265276	/nfs/dbraw/zinc/26/52/76/211265276.db2.gz	HVQOFMNBFJKVMT-SIKLNZKXSA-N	-1	3	360.388	4.774	50	10		FJCAHM
Cc1ccnc(N[C@@H](c2ccc(O)cc2)c2ccc3cccnc3c2[O-])c1	ZINC000019898704	211261673	/nfs/dbraw/zinc/26/16/73/211261673.db2.gz	YOECNGHJIVYNLO-FQEVSTJZSA-N	-1	3	357.413	4.551	50	10		FJCAHM
CCCn1c2ccccc2nc1NCc1cc(Br)ccc1[O-]	ZINC000001176519	210330450	/nfs/dbraw/zinc/33/04/50/210330450.db2.gz	AYHQUMYYTLJGIJ-UHFFFAOYSA-N	-1	3	360.255	4.527	50	10		FJCAHM
Cc1ccnc(N[C@H](c2cccc(O)c2)c2ccc3ccc(C)nc3c2[O-])c1	ZINC000004164762	570579581	/nfs/dbraw/zinc/57/95/81/570579581.db2.gz	DVZKOAUVYRODMT-OAQYLSRUSA-N	-1	3	371.440	4.859	50	10		FJCAHM
COc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccccc3[O-])C2=O)cc1	ZINC000005174115	570628706	/nfs/dbraw/zinc/62/87/06/570628706.db2.gz	KTJSJVDVUPBOAD-XDJHFCHBSA-N	-1	3	369.420	4.872	50	10		FJCAHM
Cc1ccnc(N[C@@H](c2ccc(O)cc2)c2ccc3ccc(C)nc3c2[O-])c1	ZINC000019843069	570904967	/nfs/dbraw/zinc/90/49/67/570904967.db2.gz	RUPKWOYNNNRMPC-NRFANRHFSA-N	-1	3	371.440	4.859	50	10		FJCAHM
CC(C)c1cc([C@H]2CCCN2Cc2cc(Br)ccc2[O-])on1	ZINC000035511292	571076934	/nfs/dbraw/zinc/07/69/34/571076934.db2.gz	ABDRRTLIZBWAPQ-OAHLLOKOSA-N	-1	3	365.271	4.603	50	10		FJCAHM
CC(C)[C@H]1N=C(c2cccc(Br)c2)C[C@H](c2ccccc2[O-])N1	ZINC000002500177	571148080	/nfs/dbraw/zinc/14/80/80/571148080.db2.gz	OUDKXEDFMSPPJI-MJGOQNOKSA-N	-1	3	373.294	4.661	50	10		FJCAHM
CCCC(=O)N[C@@H](c1ccc(Cl)cc1)c1ccc2cccnc2c1[O-]	ZINC000003894236	571188544	/nfs/dbraw/zinc/18/85/44/571188544.db2.gz	WUYUBRRFSCEXCC-SFHVURJKSA-N	-1	3	354.837	4.600	50	10		FJCAHM
COc1ccc([C@H]2N=C(c3ccc(C)cc3)C[C@@H](c3ccccc3[O-])N2)cc1	ZINC000004729189	571200675	/nfs/dbraw/zinc/20/06/75/571200675.db2.gz	JAFYNBFXHKRRHB-UPVQGACJSA-N	-1	3	372.468	4.932	50	10		FJCAHM
CCC[C@H]1N=C(c2cccc(Br)c2)C[C@H](c2ccccc2[O-])N1	ZINC000004729701	571200903	/nfs/dbraw/zinc/20/09/03/571200903.db2.gz	VVIPURMTSDXVGG-MJGOQNOKSA-N	-1	3	373.294	4.805	50	10		FJCAHM
O=C1c2ccccc2N[C@H](c2cc(O)c([O-])c(Cl)c2)N1c1ccccc1	ZINC000007363912	571264721	/nfs/dbraw/zinc/26/47/21/571264721.db2.gz	JTTWKZNHVIUHBH-IBGZPJMESA-N	-1	3	366.804	4.522	50	10		FJCAHM
COc1ccc(C)cc1N[C@@H](c1cccnc1)c1ccc2cccnc2c1[O-]	ZINC000096287662	571335118	/nfs/dbraw/zinc/33/51/18/571335118.db2.gz	SFQGSZZZDJTPRA-NRFANRHFSA-N	-1	3	371.440	4.854	50	10		FJCAHM
COc1ccc(C2=N[C@H](c3cccs3)N[C@H](c3ccccc3[O-])C2)cc1	ZINC000058135368	571348538	/nfs/dbraw/zinc/34/85/38/571348538.db2.gz	XEJUPWQMVLFNOT-RXVVDRJESA-N	-1	3	364.470	4.685	50	10		FJCAHM
[O-]c1ccc(Cl)cc1C1=NN2[C@H](C1)c1ccccc1O[C@H]2c1ccco1	ZINC000010215340	204001422	/nfs/dbraw/zinc/00/14/22/204001422.db2.gz	VRJGVANABHFNMB-UZLBHIALSA-N	-1	3	366.804	4.881	50	10		FJCAHM
COc1cccc2c1O[C@H](c1ccccc1)N1N=C(c3ccccc3[O-])C[C@H]21	ZINC000006721717	204263039	/nfs/dbraw/zinc/26/30/39/204263039.db2.gz	JGIHLXNFNXHAAE-AUSIDOKSSA-N	-1	3	372.424	4.643	50	10		FJCAHM
[O-]c1ccccc1C1=NN2[C@@H](C1)c1ccccc1O[C@H]2c1ccccc1F	ZINC000006721593	204264005	/nfs/dbraw/zinc/26/40/05/204264005.db2.gz	VMSBHEQZOQXOSW-UGKGYDQZSA-N	-1	3	360.388	4.774	50	10		FJCAHM
COc1ccc(C2=N[C@H](c3ccccc3C)N[C@H](c3ccccc3[O-])C2)cc1	ZINC000053364964	205193841	/nfs/dbraw/zinc/19/38/41/205193841.db2.gz	RTJMUCWJGJHCMK-UPVQGACJSA-N	-1	3	372.468	4.932	50	10		FJCAHM
O=[N+]([O-])c1ccc(N[C@@H](c2ccco2)c2ccc3cccnc3c2[O-])cc1	ZINC000003893390	206165455	/nfs/dbraw/zinc/16/54/55/206165455.db2.gz	QAFOHHPHHYVGNB-LJQANCHMSA-N	-1	3	361.357	4.643	50	10		FJCAHM
CCCc1cc(=O)oc2c1cc(Cl)c([O-])c2CN1CCCC[C@@H]1CC	ZINC000020332023	211275626	/nfs/dbraw/zinc/27/56/26/211275626.db2.gz	YVJZCSTYCGPQEY-AWEZNQCLSA-N	-1	3	363.885	4.869	50	10		FJCAHM
[O-]c1ccccc1C1=NN2[C@@H](C1)c1ccccc1O[C@@H]2c1ccccc1F	ZINC000020070599	211266124	/nfs/dbraw/zinc/26/61/24/211266124.db2.gz	VMSBHEQZOQXOSW-SIKLNZKXSA-N	-1	3	360.388	4.774	50	10		FJCAHM
CC(C)n1c2ccccc2nc1NCc1cc(Br)ccc1[O-]	ZINC000013687214	211048916	/nfs/dbraw/zinc/04/89/16/211048916.db2.gz	KPCMPXSJDILUMQ-UHFFFAOYSA-N	-1	3	360.255	4.697	50	10		FJCAHM
CCCC(=O)N[C@@H](c1ccc(C)cc1)c1cc(Cl)c2cccnc2c1[O-]	ZINC000000801088	210272641	/nfs/dbraw/zinc/27/26/41/210272641.db2.gz	UVSUHNPGFMUNCC-IBGZPJMESA-N	-1	3	368.864	4.908	50	10		FJCAHM
O=C(/C=C/c1ccccc1)N1N=C(c2ccccc2[O-])C[C@@H]1c1ccccc1	ZINC000001283315	263144010	/nfs/dbraw/zinc/14/40/10/263144010.db2.gz	ZOFJXBBLZXKSMK-SFZDQAMXSA-N	-1	3	368.436	4.783	50	10		FJCAHM
CC(=O)N[C@@H](c1ccc(C(C)C)cc1)c1cc(Cl)c2cccnc2c1[O-]	ZINC000000869270	570461963	/nfs/dbraw/zinc/46/19/63/570461963.db2.gz	IPSGXKAFCLXWMU-IBGZPJMESA-N	-1	3	368.864	4.943	50	10		FJCAHM
Cc1cccc(N[C@H](c2cccnc2)c2ccc3ccc(C)nc3c2[O-])n1	ZINC000001168744	570486897	/nfs/dbraw/zinc/48/68/97/570486897.db2.gz	JZQFHHSCGKQVTR-HXUWFJFHSA-N	-1	3	356.429	4.549	50	10		FJCAHM
COc1ccccc1[C@H](Nc1cccc(C)n1)c1ccc2cccnc2c1[O-]	ZINC000005799004	570636133	/nfs/dbraw/zinc/63/61/33/570636133.db2.gz	MOCPKBPVODSEQJ-QFIPXVFZSA-N	-1	3	371.440	4.854	50	10		FJCAHM
Cc1ccc(C(=O)N2N=C(c3ccccc3[O-])C[C@H]2c2ccccc2)cc1	ZINC000013123127	570773725	/nfs/dbraw/zinc/77/37/25/570773725.db2.gz	YTLMWXIAVDJGFX-NRFANRHFSA-N	-1	3	356.425	4.692	50	10		FJCAHM
Cc1ccc(NCc2cc(Br)ccc2[O-])c(Br)c1	ZINC000044836254	571102157	/nfs/dbraw/zinc/10/21/57/571102157.db2.gz	KYIZWVKSTIPCQR-UHFFFAOYSA-N	-1	3	371.072	4.838	50	10		FJCAHM
COc1ccc([C@@H]2N=C(c3ccc(C)cc3)C[C@@H](c3ccccc3[O-])N2)cc1	ZINC000004729190	571200582	/nfs/dbraw/zinc/20/05/82/571200582.db2.gz	JAFYNBFXHKRRHB-LADGPHEKSA-N	-1	3	372.468	4.932	50	10		FJCAHM
CCC[C@@H]1N=C(c2cccc(Br)c2)C[C@H](c2ccccc2[O-])N1	ZINC000004729702	571200835	/nfs/dbraw/zinc/20/08/35/571200835.db2.gz	VVIPURMTSDXVGG-IEBWSBKVSA-N	-1	3	373.294	4.805	50	10		FJCAHM
Cc1cccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4[O-])=NN32)c1	ZINC000006721588	571243563	/nfs/dbraw/zinc/24/35/63/571243563.db2.gz	YXGAAQZMOMFLCZ-REWPJTCUSA-N	-1	3	356.425	4.943	50	10		FJCAHM
[O-]c1ccccc1C1=NN2[C@H](C1)c1ccccc1O[C@@H]2c1ccccc1F	ZINC000020070602	571327930	/nfs/dbraw/zinc/32/79/30/571327930.db2.gz	VMSBHEQZOQXOSW-DENIHFKCSA-N	-1	3	360.388	4.774	50	10		FJCAHM
COc1ccccc1N[C@@H](c1cccnc1)c1ccc2cccnc2c1[O-]	ZINC000001448885	204008105	/nfs/dbraw/zinc/00/81/05/204008105.db2.gz	RTAVGXLOBDXKDJ-FQEVSTJZSA-N	-1	3	357.413	4.546	50	10		FJCAHM
Cc1ccnc(N[C@@H](c2cc(C)ccc2O)c2ccc3cccnc3c2[O-])c1	ZINC000005587786	204217136	/nfs/dbraw/zinc/21/71/36/204217136.db2.gz	RLGUWGFDXOZRHK-JOCHJYFZSA-N	-1	3	371.440	4.859	50	10		FJCAHM
COc1cccc2c1O[C@H](C(C)C)N1N=C(c3cc(Cl)ccc3[O-])C[C@@H]21	ZINC000006721707	204263423	/nfs/dbraw/zinc/26/34/23/204263423.db2.gz	IZITVIKIAXTQAK-OXJNMPFZSA-N	-1	3	372.852	4.580	50	10		FJCAHM
[O-]c1ccccc1C1=NN2[C@H](C1)c1ccccc1O[C@H]2c1cccc(F)c1	ZINC000006721590	204264016	/nfs/dbraw/zinc/26/40/16/204264016.db2.gz	XKFFKLZAMLCUBC-KNQAVFIVSA-N	-1	3	360.388	4.774	50	10		FJCAHM
[O-]c1ccc(Br)cc1[C@@H]1CC(c2ccc3ccccc3c2)=NN1	ZINC000072332566	205511479	/nfs/dbraw/zinc/51/14/79/205511479.db2.gz	DGVCIIIXKXNJCH-SFHVURJKSA-N	-1	3	367.246	4.747	50	10		FJCAHM
O=C(N[C@@H](c1cccs1)c1ccc2cccnc2c1[O-])C1CCCCC1	ZINC000000869253	206138333	/nfs/dbraw/zinc/13/83/33/206138333.db2.gz	JCMVPOVHTZCXCY-LJQANCHMSA-N	-1	3	366.486	4.788	50	10		FJCAHM
[O-]c1ccc(Cl)cc1C1=NN2[C@@H](C1)c1ccccc1O[C@H]2c1ccco1	ZINC000010215332	210345564	/nfs/dbraw/zinc/34/55/64/210345564.db2.gz	VRJGVANABHFNMB-JXFKEZNVSA-N	-1	3	366.804	4.881	50	10		FJCAHM
COc1ccc(C)cc1N[C@H](c1cccnc1)c1ccc2cccnc2c1[O-]	ZINC000096287663	222110997	/nfs/dbraw/zinc/11/09/97/222110997.db2.gz	SFQGSZZZDJTPRA-OAQYLSRUSA-N	-1	3	371.440	4.854	50	10		FJCAHM
CC(=O)N[C@H](c1ccc(C(C)C)cc1)c1cc(Cl)c2cccnc2c1[O-]	ZINC000000869271	570462319	/nfs/dbraw/zinc/46/23/19/570462319.db2.gz	IPSGXKAFCLXWMU-LJQANCHMSA-N	-1	3	368.864	4.943	50	10		FJCAHM
COc1ccc([C@H](Nc2cccc(C)n2)c2ccc3cccnc3c2[O-])cc1	ZINC000002748421	570529863	/nfs/dbraw/zinc/52/98/63/570529863.db2.gz	JOTLZXXJNMZTPK-NRFANRHFSA-N	-1	3	371.440	4.854	50	10		FJCAHM
CCCC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Cl)c([O-])c(OC)c1	ZINC000100321939	570553485	/nfs/dbraw/zinc/55/34/85/570553485.db2.gz	ZGQLWGLSYOHELM-XNTDXEJSSA-N	-1	3	370.836	4.641	50	10		FJCAHM
CCOc1ccc([C@@H](Nc2ccccn2)c2ccc3cccnc3c2[O-])cc1	ZINC000004164788	570579557	/nfs/dbraw/zinc/57/95/57/570579557.db2.gz	VMUHMDGSZGRPDO-OAQYLSRUSA-N	-1	3	371.440	4.936	50	10		FJCAHM
COc1ccc(C2=N[C@@H](c3cccs3)N[C@H](c3ccccc3[O-])C2)cc1	ZINC000058135371	570828222	/nfs/dbraw/zinc/82/82/22/570828222.db2.gz	XEJUPWQMVLFNOT-GHTZIAJQSA-N	-1	3	364.470	4.685	50	10		FJCAHM
[O-]c1c([C@@H](Nc2ccccn2)c2cccnc2)cc(Cl)c2cccnc12	ZINC000019849855	570905025	/nfs/dbraw/zinc/90/50/25/570905025.db2.gz	ZQQXRNUVLBLBNW-SFHVURJKSA-N	-1	3	362.820	4.585	50	10		FJCAHM
Cc1ccnc(N[C@H](c2ccc(O)cc2)c2ccc3cccnc3c2[O-])c1	ZINC000019898705	570905821	/nfs/dbraw/zinc/90/58/21/570905821.db2.gz	YOECNGHJIVYNLO-HXUWFJFHSA-N	-1	3	357.413	4.551	50	10		FJCAHM
O=C(Cc1ccccc1)N[C@@H](c1ccccc1)c1c([O-])ccc2ccccc21	ZINC000002870196	571070158	/nfs/dbraw/zinc/07/01/58/571070158.db2.gz	VZXZJYDEPXDLNL-VWLOTQADSA-N	-1	3	367.448	4.994	50	10		FJCAHM
COc1ccc(C2=N[C@@H](c3ccccc3C)N[C@H](c3ccccc3[O-])C2)cc1	ZINC000053364961	571151378	/nfs/dbraw/zinc/15/13/78/571151378.db2.gz	RTJMUCWJGJHCMK-LADGPHEKSA-N	-1	3	372.468	4.932	50	10		FJCAHM
[O-]c1ccccc1C1=NN2[C@@H](C1)c1ccccc1O[C@H]2c1cccc(F)c1	ZINC000006721589	571243600	/nfs/dbraw/zinc/24/36/00/571243600.db2.gz	XKFFKLZAMLCUBC-UGKGYDQZSA-N	-1	3	360.388	4.774	50	10		FJCAHM
Cc1cc2n(n1)[C@H](c1cc(Br)ccc1[O-])Nc1c(C)cccc1-2	ZINC000020060267	571327945	/nfs/dbraw/zinc/32/79/45/571327945.db2.gz	UNOLWXBPPKJXGS-GOSISDBHSA-N	-1	3	370.250	4.607	50	10		FJCAHM
Cc1ccc2ccc([C@@H](Nc3ccccn3)c3ccc(F)cc3)c([O-])c2n1	ZINC000002977795	204072419	/nfs/dbraw/zinc/07/24/19/204072419.db2.gz	LFYIPVBMUBBSDE-FQEVSTJZSA-N	-1	3	359.404	4.984	50	10		FJCAHM
O=C(Cc1ccccc1)N[C@@H](c1ccco1)c1c([O-])ccc2ccccc21	ZINC000002873382	204064397	/nfs/dbraw/zinc/06/43/97/204064397.db2.gz	PFRWQHNNDMDEFX-QHCPKHFHSA-N	-1	3	357.409	4.587	50	10		FJCAHM
COc1ccccc1[C@@H](Nc1cc(C)ccn1)c1ccc2cccnc2c1[O-]	ZINC000005102519	204192218	/nfs/dbraw/zinc/19/22/18/204192218.db2.gz	GQRNKZGLDOVOCF-JOCHJYFZSA-N	-1	3	371.440	4.854	50	10		FJCAHM
COc1cccc2c1O[C@@H](c1ccccc1)N1N=C(c3ccccc3[O-])C[C@H]21	ZINC000006721718	204262969	/nfs/dbraw/zinc/26/29/69/204262969.db2.gz	JGIHLXNFNXHAAE-XXBNENTESA-N	-1	3	372.424	4.643	50	10		FJCAHM
CS[C@H](C)C(=O)N[C@H](c1ccccc1)c1c([O-])ccc2ccccc21	ZINC000048342544	205160165	/nfs/dbraw/zinc/16/01/65/205160165.db2.gz	OYOGEYYBSLATSR-JLTOFOAXSA-N	-1	3	351.471	4.503	50	10		FJCAHM
COc1ccc([C@H](Nc2ccccn2)c2ccc3cccnc3c2[O-])cc1	ZINC000000947306	206143987	/nfs/dbraw/zinc/14/39/87/206143987.db2.gz	QDQKNQUWCAUUJR-FQEVSTJZSA-N	-1	3	357.413	4.546	50	10		FJCAHM
COc1ccc([C@@H](Nc2ccccn2)c2ccc3cccnc3c2[O-])cc1	ZINC000000947307	206144080	/nfs/dbraw/zinc/14/40/80/206144080.db2.gz	QDQKNQUWCAUUJR-HXUWFJFHSA-N	-1	3	357.413	4.546	50	10		FJCAHM
CCCC(=O)N[C@H](c1ccccc1)c1cc(Cl)c2cccnc2c1[O-]	ZINC000000801070	206133900	/nfs/dbraw/zinc/13/39/00/206133900.db2.gz	RSHNZQIRXYERPR-GOSISDBHSA-N	-1	3	354.837	4.600	50	10		FJCAHM
[O-]c1ccc(Cl)cc1C1=NN2[C@H](C1)c1ccccc1O[C@@H]2c1ccco1	ZINC000102907361	206231871	/nfs/dbraw/zinc/23/18/71/206231871.db2.gz	VRJGVANABHFNMB-OXQOHEQNSA-N	-1	3	366.804	4.881	50	10		FJCAHM
CCCCCCc1c(C)c2cc(Cl)c([O-])c(CN(C)C)c2oc1=O	ZINC000020267424	211272667	/nfs/dbraw/zinc/27/26/67/211272667.db2.gz	VRRZFJQVIUOAJH-UHFFFAOYSA-N	-1	3	351.874	4.645	50	10		FJCAHM
[O-]c1ccccc1C1=NN2[C@@H](C1)c1ccccc1O[C@@H]2c1cccc(F)c1	ZINC000020070587	211265048	/nfs/dbraw/zinc/26/50/48/211265048.db2.gz	XKFFKLZAMLCUBC-SIKLNZKXSA-N	-1	3	360.388	4.774	50	10		FJCAHM
COc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccccc4[O-])=NN32)cc1	ZINC000020070607	211265085	/nfs/dbraw/zinc/26/50/85/211265085.db2.gz	MXLXOCAJLJZVNZ-NFBKMPQASA-N	-1	3	372.424	4.643	50	10		FJCAHM
COc1cccc(N[C@@H](c2ccccn2)c2ccc3cccnc3c2[O-])c1	ZINC000001463226	210354284	/nfs/dbraw/zinc/35/42/84/210354284.db2.gz	JQWSGURQZZPYKY-OAQYLSRUSA-N	-1	3	357.413	4.546	50	10		FJCAHM
Cc1[n-]n(-c2ccc(C)cc2)c(=O)c1C=Nc1cccc(C(F)(F)F)c1	ZINC000005333820	263340471	/nfs/dbraw/zinc/34/04/71/263340471.db2.gz	RTVGVSVVVBJARP-GZTJUZNOSA-N	-1	3	359.351	4.732	50	10		FJCAHM
Cc1ccc([C@H](NC(=O)C(C)C)c2cc(Cl)c3cccnc3c2[O-])cc1	ZINC000000801090	568252945	/nfs/dbraw/zinc/25/29/45/568252945.db2.gz	NSHKLFCPKDWPFW-SFHVURJKSA-N	-1	3	368.864	4.764	50	10		FJCAHM
COc1ccc([C@@H](Nc2cccc(C)n2)c2ccc3cccnc3c2[O-])cc1	ZINC000002748422	570529897	/nfs/dbraw/zinc/52/98/97/570529897.db2.gz	JOTLZXXJNMZTPK-OAQYLSRUSA-N	-1	3	371.440	4.854	50	10		FJCAHM
Cc1cccc(N[C@H](c2cccc(O)c2)c2ccc3ccc(C)nc3c2[O-])n1	ZINC000004755321	570605124	/nfs/dbraw/zinc/60/51/24/570605124.db2.gz	TWSPOEIUAJSFOV-OAQYLSRUSA-N	-1	3	371.440	4.859	50	10		FJCAHM
COc1ccc([C@H](Nc2ccccn2)c2ccc3ccc(C)nc3c2[O-])cc1	ZINC000004755068	570605197	/nfs/dbraw/zinc/60/51/97/570605197.db2.gz	AHNAFZFKKQYFAI-NRFANRHFSA-N	-1	3	371.440	4.854	50	10		FJCAHM
Cc1cccc(N[C@@H](c2ccc(O)cc2)c2ccc3ccc(C)nc3c2[O-])n1	ZINC000005900687	570638324	/nfs/dbraw/zinc/63/83/24/570638324.db2.gz	GHAJWLCLZNLXNM-NRFANRHFSA-N	-1	3	371.440	4.859	50	10		FJCAHM
[O-]c1c([C@@H](Nc2ccccn2)c2ccncc2)cc(Cl)c2cccnc12	ZINC000040384070	571095288	/nfs/dbraw/zinc/09/52/88/571095288.db2.gz	JQHLLBXEINTDJB-SFHVURJKSA-N	-1	3	362.820	4.585	50	10		FJCAHM
CCOc1ccc(OCC)c(NCc2cc(Br)ccc2[O-])c1	ZINC000044836153	571102274	/nfs/dbraw/zinc/10/22/74/571102274.db2.gz	HAOOSJURGMPLGK-UHFFFAOYSA-N	-1	3	366.255	4.564	50	10		FJCAHM
COc1ccc(C2=N[C@H](c3ccc(C)cc3)N[C@@H](c3ccccc3[O-])C2)cc1	ZINC000053362886	571151384	/nfs/dbraw/zinc/15/13/84/571151384.db2.gz	DCRLSKPMWVPOJF-VWNXMTODSA-N	-1	3	372.468	4.932	50	10		FJCAHM
[O-]c1ccccc1C1=NN(c2ccccc2)[C@H](c2ccc3c(c2)OCCO3)C1	ZINC000004746133	571230630	/nfs/dbraw/zinc/23/06/30/571230630.db2.gz	LURHSNZEJYZOCZ-FQEVSTJZSA-N	-1	3	372.424	4.519	50	10		FJCAHM
COc1cccc2c1O[C@@H](C(C)C)N1N=C(c3cc(Cl)ccc3[O-])C[C@@H]21	ZINC000006721708	571243596	/nfs/dbraw/zinc/24/35/96/571243596.db2.gz	IZITVIKIAXTQAK-JXFKEZNVSA-N	-1	3	372.852	4.580	50	10		FJCAHM
O=[N+]([O-])c1ccc(N[C@H](c2ccco2)c2ccc3cccnc3c2[O-])cc1	ZINC000003893389	571292785	/nfs/dbraw/zinc/29/27/85/571292785.db2.gz	QAFOHHPHHYVGNB-IBGZPJMESA-N	-1	3	361.357	4.643	50	10		FJCAHM
Cc1ccc2ccc([C@H](Nc3ccccn3)c3ccc(F)cc3)c([O-])c2n1	ZINC000002977794	204072210	/nfs/dbraw/zinc/07/22/10/204072210.db2.gz	LFYIPVBMUBBSDE-HXUWFJFHSA-N	-1	3	359.404	4.984	50	10		FJCAHM
CCCCC(=O)N[C@@H](c1ccc(Cl)cc1)c1ccc2cccnc2c1[O-]	ZINC000003894238	204113122	/nfs/dbraw/zinc/11/31/22/204113122.db2.gz	UAXCAMFEQNFDHG-IBGZPJMESA-N	-1	3	368.864	4.990	50	10		FJCAHM
CCCCC(=O)N[C@H](c1ccccc1Cl)c1ccc2cccnc2c1[O-]	ZINC000003894243	204113427	/nfs/dbraw/zinc/11/34/27/204113427.db2.gz	YJVWZPHTRDHQJX-HXUWFJFHSA-N	-1	3	368.864	4.990	50	10		FJCAHM
O=C1/C(=C\c2cc(Cl)ccc2[O-])SC(=S)N1C1CCCCC1	ZINC000004454676	204139373	/nfs/dbraw/zinc/13/93/73/204139373.db2.gz	KORQMMJKEWOAKN-NTEUORMPSA-N	-1	3	353.896	4.580	50	10		FJCAHM
CC(C)c1cc([C@H]2CCCN2Cc2cc(Br)ccc2[O-])no1	ZINC000021720191	211323398	/nfs/dbraw/zinc/32/33/98/211323398.db2.gz	LXLFAFUFFSDEBL-OAHLLOKOSA-N	-1	3	365.271	4.603	50	10		FJCAHM
CSCC[C@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3ccccc3[O-])=NN21	ZINC000020070695	211265757	/nfs/dbraw/zinc/26/57/57/211265757.db2.gz	GAKRXKSFTRYFJG-VQIMIIECSA-N	-1	3	374.893	4.668	50	10		FJCAHM
[O-]c1c([C@@H](Nc2ccccn2)c2ccccn2)cc(Cl)c2cccnc12	ZINC000019849903	211259113	/nfs/dbraw/zinc/25/91/13/211259113.db2.gz	VUANHPCNSHUHCF-GOSISDBHSA-N	-1	3	362.820	4.585	50	10		FJCAHM
Cc1ccc(S(=O)(=O)[N-]c2cc(C(C)C)c(O)c(Cl)c2C)cc1	ZINC000000947559	210294575	/nfs/dbraw/zinc/29/45/75/210294575.db2.gz	QXIUQMUJGNTHNJ-UHFFFAOYSA-N	-1	3	353.871	4.587	50	10		FJCAHM
Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccccc2[O-])cc1	ZINC000248118513	524234511	/nfs/dbraw/zinc/23/45/11/524234511.db2.gz	WIIIZJHLBMRXNK-REWPJTCUSA-N	-1	3	356.425	4.943	50	10		FJCAHM
COc1ccc(N[C@H](c2ccccn2)c2ccc3cccnc3c2[O-])cc1	ZINC000000719393	568130811	/nfs/dbraw/zinc/13/08/11/568130811.db2.gz	VBEITGLBDAOQQK-NRFANRHFSA-N	-1	3	357.413	4.546	50	10		FJCAHM
Cc1cccc(N[C@@H](c2cccc(C)n2)c2ccc3ccc(C)nc3c2[O-])n1	ZINC000001168836	570486801	/nfs/dbraw/zinc/48/68/01/570486801.db2.gz	RHYVTSSHEZTLOO-JOCHJYFZSA-N	-1	3	370.456	4.857	50	10		FJCAHM
Cc1ccnc(N[C@@H](c2cccnc2)c2ccc3ccc(C)nc3c2[O-])c1	ZINC000002470579	570521890	/nfs/dbraw/zinc/52/18/90/570521890.db2.gz	ONEBJPDLVVOZFG-FQEVSTJZSA-N	-1	3	356.429	4.549	50	10		FJCAHM
CN(Cc1nccs1)Cc1cc(-c2nc3ccccc3s2)ccc1[O-]	ZINC000019791291	570903235	/nfs/dbraw/zinc/90/32/35/570903235.db2.gz	BNHKGOGLIUSWGE-UHFFFAOYSA-N	-1	3	367.499	4.757	50	10		FJCAHM
COc1cc(Cl)c(C)cc1NCc1cc(Br)ccc1[O-]	ZINC000044836271	571102281	/nfs/dbraw/zinc/10/22/81/571102281.db2.gz	AQHJRAHTIYUMLK-UHFFFAOYSA-N	-1	3	356.647	4.737	50	10		FJCAHM
COc1ccc(C2=N[C@@H](c3ccccc3C)N[C@@H](c3ccccc3[O-])C2)cc1	ZINC000053364955	571151506	/nfs/dbraw/zinc/15/15/06/571151506.db2.gz	RTJMUCWJGJHCMK-ISKFKSNPSA-N	-1	3	372.468	4.932	50	10		FJCAHM
Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccccc2[O-])cc1	ZINC000006211770	571166659	/nfs/dbraw/zinc/16/66/59/571166659.db2.gz	WIIIZJHLBMRXNK-NZQKXSOJSA-N	-1	3	356.425	4.943	50	10		FJCAHM
[O-]c1ccccc1C1=NN2[C@H](C1)c1ccccc1O[C@H]2c1ccc(F)cc1	ZINC000006721586	571243543	/nfs/dbraw/zinc/24/35/43/571243543.db2.gz	HVQOFMNBFJKVMT-KNQAVFIVSA-N	-1	3	360.388	4.774	50	10		FJCAHM
COc1ccc(N[C@@H](c2ccccn2)c2ccc3cccnc3c2[O-])cc1	ZINC000000719394	210265894	/nfs/dbraw/zinc/26/58/94/210265894.db2.gz	VBEITGLBDAOQQK-OAQYLSRUSA-N	-1	3	357.413	4.546	50	10		FJCAHM
[O-]c1c([C@@H](Nc2ccccn2)c2ccco2)cc(Cl)c2cccnc12	ZINC000019849878	210156170	/nfs/dbraw/zinc/15/61/70/210156170.db2.gz	SZEZEZHDZJZXEC-QGZVFWFLSA-N	-1	3	351.793	4.783	50	10	in-vitro	FJCAHM
C[C@H](Nc1ccc(I)cc1)c1ccc(Cl)cc1[O-]	ZINC000002212317	204029356	/nfs/dbraw/zinc/02/93/56/204029356.db2.gz	IOYGXNZLQOTVAW-VIFPVBQESA-N	-1	3	373.621	4.823	50	10		FJCAHM
CC(C)[C@@H]1N=C(c2cccc(Br)c2)C[C@H](c2ccccc2[O-])N1	ZINC000002500176	204043140	/nfs/dbraw/zinc/04/31/40/204043140.db2.gz	OUDKXEDFMSPPJI-IEBWSBKVSA-N	-1	3	373.294	4.661	50	10		FJCAHM
CCOC(=O)c1[n-]c2ccc(F)cc2c1/N=N/N1CCc2ccccc2C1	ZINC000002296233	204032636	/nfs/dbraw/zinc/03/26/36/204032636.db2.gz	NUYXUOLKIJMDPQ-WCWDXBQESA-N	-1	3	366.396	4.541	50	10		FJCAHM
COc1ccc(C2=N[C@@H](c3ccc(C)cc3)N[C@H](c3ccccc3[O-])C2)cc1	ZINC000053362887	211917031	/nfs/dbraw/zinc/91/70/31/211917031.db2.gz	DCRLSKPMWVPOJF-LADGPHEKSA-N	-1	3	372.468	4.932	50	10		FJCAHM
COc1ccc(C2=N[C@@H](c3ccc(C)cc3)N[C@@H](c3ccccc3[O-])C2)cc1	ZINC000053362884	205193680	/nfs/dbraw/zinc/19/36/80/205193680.db2.gz	DCRLSKPMWVPOJF-ISKFKSNPSA-N	-1	3	372.468	4.932	50	10		FJCAHM
COc1ccc(S(=O)(=O)[N-]c2ccc(/N=N/c3ccccc3)cc2)cc1	ZINC000016954564	220198871	/nfs/dbraw/zinc/19/88/71/220198871.db2.gz	RVWCSLOUCISZMN-QZQOTICOSA-N	-1	3	367.430	4.911	50	10		FJCAHM
CCCC(=O)N[C@H](c1cccs1)c1cc(Cl)c2cccnc2c1[O-]	ZINC000000801101	206133563	/nfs/dbraw/zinc/13/35/63/206133563.db2.gz	YGWFEEPDVXIOHB-INIZCTEOSA-N	-1	3	360.866	4.661	50	10		FJCAHM
Cc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccccc4[O-])=NN32)cc1	ZINC000020070569	211266639	/nfs/dbraw/zinc/26/66/39/211266639.db2.gz	YMWMUXZOAFBISN-OFNKIYASSA-N	-1	3	356.425	4.943	50	10		FJCAHM
[O-]c1ccccc1C1=NN2[C@H](C1)c1ccccc1O[C@@H]2c1cccc(F)c1	ZINC000020070590	211265262	/nfs/dbraw/zinc/26/52/62/211265262.db2.gz	XKFFKLZAMLCUBC-DENIHFKCSA-N	-1	3	360.388	4.774	50	10		FJCAHM
CSCC[C@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3ccccc3[O-])=NN21	ZINC000006721629	210691173	/nfs/dbraw/zinc/69/11/73/210691173.db2.gz	GAKRXKSFTRYFJG-QFBILLFUSA-N	-1	3	374.893	4.668	50	10		FJCAHM
COc1ccccc1[C@@H](NC(=O)CC(C)C)c1c([O-])ccc2ccccc21	ZINC000000801046	210272316	/nfs/dbraw/zinc/27/23/16/210272316.db2.gz	CBBSORRBPCXQGU-HSZRJFAPSA-N	-1	3	363.457	4.806	50	10		FJCAHM
[O-]c1ccc(Cl)cc1C1=NN2[C@@H](C1)c1ccccc1O[C@@H]2c1ccco1	ZINC000102907359	222313036	/nfs/dbraw/zinc/31/30/36/222313036.db2.gz	VRJGVANABHFNMB-OXJNMPFZSA-N	-1	3	366.804	4.881	50	10		FJCAHM
Cc1cccc(N[C@@H](c2cccnc2)c2ccc3ccc(C)nc3c2[O-])n1	ZINC000001168743	570486818	/nfs/dbraw/zinc/48/68/18/570486818.db2.gz	JZQFHHSCGKQVTR-FQEVSTJZSA-N	-1	3	356.429	4.549	50	10		FJCAHM
Cc1cccc(N[C@@H](c2cccc(O)c2)c2ccc3ccc(C)nc3c2[O-])n1	ZINC000004755320	570605142	/nfs/dbraw/zinc/60/51/42/570605142.db2.gz	TWSPOEIUAJSFOV-NRFANRHFSA-N	-1	3	371.440	4.859	50	10		FJCAHM
[O-]c1c([C@H](Nc2ccccn2)c2ccco2)cc(Cl)c2cccnc12	ZINC000005077645	570620802	/nfs/dbraw/zinc/62/08/02/570620802.db2.gz	SZEZEZHDZJZXEC-KRWDZBQOSA-N	-1	3	351.793	4.783	50	10		FJCAHM
CCCC1=NN(c2ccccc2)C(=O)/C1=C\c1cc(Cl)c([O-])c(OC)c1	ZINC000016225411	570852438	/nfs/dbraw/zinc/85/24/38/570852438.db2.gz	ZGQLWGLSYOHELM-GDNBJRDFSA-N	-1	3	370.836	4.641	50	10		FJCAHM
CC(C)c1cc([C@@H]2CCCN2Cc2cc(Br)ccc2[O-])on1	ZINC000035511291	571076913	/nfs/dbraw/zinc/07/69/13/571076913.db2.gz	ABDRRTLIZBWAPQ-HNNXBMFYSA-N	-1	3	365.271	4.603	50	10		FJCAHM
COc1cccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4[O-])=NN32)c1	ZINC000006721606	571243549	/nfs/dbraw/zinc/24/35/49/571243549.db2.gz	JUFATVCUNXPDPU-REWPJTCUSA-N	-1	3	372.424	4.643	50	10		FJCAHM
Cc1cc2n(n1)[C@@H](c1cc(Br)ccc1[O-])Nc1c(C)cccc1-2	ZINC000020060269	571327884	/nfs/dbraw/zinc/32/78/84/571327884.db2.gz	UNOLWXBPPKJXGS-SFHVURJKSA-N	-1	3	370.250	4.607	50	10		FJCAHM
Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1C=Nc1ccc(Cl)c(Cl)c1	ZINC000095471528	571330675	/nfs/dbraw/zinc/33/06/75/571330675.db2.gz	KXBAXUJABJQCMC-ZROIWOOFSA-N	-1	3	364.207	4.851	50	10		FJCAHM
COc1ccc([C@@H]2N=C(c3ccc(C)cc3)C[C@H](c3ccccc3[O-])N2)cc1	ZINC000004729193	207043154	/nfs/dbraw/zinc/04/31/54/207043154.db2.gz	JAFYNBFXHKRRHB-ISKFKSNPSA-N	-1	3	372.468	4.932	50	10		FJCAHM
Cc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4[O-])=NN32)cc1	ZINC000006721584	207157101	/nfs/dbraw/zinc/15/71/01/207157101.db2.gz	YMWMUXZOAFBISN-REWPJTCUSA-N	-1	3	356.425	4.943	50	10		FJCAHM
COc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4[O-])=NN32)cc1	ZINC000006721596	207157550	/nfs/dbraw/zinc/15/75/50/207157550.db2.gz	MXLXOCAJLJZVNZ-REWPJTCUSA-N	-1	3	372.424	4.643	50	10		FJCAHM
Cc1ccccc1[C@H]1Oc2ccccc2[C@@H]2CC(c3ccccc3[O-])=NN21	ZINC000006721591	207157582	/nfs/dbraw/zinc/15/75/82/207157582.db2.gz	YJMLJTPYUPMYPZ-NZQKXSOJSA-N	-1	3	356.425	4.943	50	10		FJCAHM
Cc1ccc([C@H](c2cc([N+](=O)[O-])ccc2[O-])N(C)Cc2ccccc2)cc1	ZINC000048252112	208392730	/nfs/dbraw/zinc/39/27/30/208392730.db2.gz	OXCKRQBCQZWUPV-JOCHJYFZSA-N	-1	3	362.429	4.830	50	10		FJCAHM
COc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccccc4[O-])=NN32)cc1	ZINC000020070604	220313386	/nfs/dbraw/zinc/31/33/86/220313386.db2.gz	MXLXOCAJLJZVNZ-OFNKIYASSA-N	-1	3	372.424	4.643	50	10		FJCAHM
Cc1ccnc(N[C@H](c2ccccn2)c2ccc3ccc(C)nc3c2[O-])c1	ZINC000001120762	263142747	/nfs/dbraw/zinc/14/27/47/263142747.db2.gz	IIWPMNYYCZOWBD-NRFANRHFSA-N	-1	3	356.429	4.549	50	10		FJCAHM
CCCC(=O)N[C@H](c1ccc(C)cc1)c1cc(Cl)c2cccnc2c1[O-]	ZINC000000801089	568252966	/nfs/dbraw/zinc/25/29/66/568252966.db2.gz	UVSUHNPGFMUNCC-LJQANCHMSA-N	-1	3	368.864	4.908	50	10		FJCAHM
Cc1cc2n(n1)[C@H](c1cc(Br)ccc1[O-])Nc1ccc(C)cc1-2	ZINC000000627839	570440046	/nfs/dbraw/zinc/44/00/46/570440046.db2.gz	DYUWRYKSRFWFCS-GOSISDBHSA-N	-1	3	370.250	4.607	50	10		FJCAHM
Cc1ccc2ccc([C@@H](Nc3ccccn3)c3cccc(O)c3)c([O-])c2n1	ZINC000004123981	570577664	/nfs/dbraw/zinc/57/76/64/570577664.db2.gz	XNVKOJUDUHKCBK-FQEVSTJZSA-N	-1	3	357.413	4.551	50	10		FJCAHM
Cc1cccc(N[C@H](c2ccc(F)cc2)c2ccc3cccnc3c2[O-])n1	ZINC000004123957	570577692	/nfs/dbraw/zinc/57/76/92/570577692.db2.gz	QFWYBZBGLVKJGT-HXUWFJFHSA-N	-1	3	359.404	4.984	50	10		FJCAHM
Cc1ccc(C(=O)N2N=C(c3ccccc3[O-])C[C@@H]2c2ccccc2)cc1	ZINC000013123126	570773977	/nfs/dbraw/zinc/77/39/77/570773977.db2.gz	YTLMWXIAVDJGFX-OAQYLSRUSA-N	-1	3	356.425	4.692	50	10		FJCAHM
CCN(CC)Cc1c([O-])ccc2c(=O)c(-c3ccc(Cl)cc3)c(C)oc21	ZINC000020391777	570915217	/nfs/dbraw/zinc/91/52/17/570915217.db2.gz	ZSKZTVTVFCZLEJ-UHFFFAOYSA-N	-1	3	371.864	4.969	50	10		FJCAHM
Cc1ccccc1[C@@H]1Oc2ccccc2[C@@H]2CC(c3ccccc3[O-])=NN21	ZINC000006721592	571243541	/nfs/dbraw/zinc/24/35/41/571243541.db2.gz	YJMLJTPYUPMYPZ-REWPJTCUSA-N	-1	3	356.425	4.943	50	10		FJCAHM
CCCCC(=O)N[C@@H](c1ccccc1)c1cc(Cl)c2cccnc2c1[O-]	ZINC000002816852	571293363	/nfs/dbraw/zinc/29/33/63/571293363.db2.gz	QJPPDBAPLCTLOY-IBGZPJMESA-N	-1	3	368.864	4.990	50	10		FJCAHM
CCOC(=O)c1ccc(NCc2c3c(ccc2[O-])oc2c3CCCC2)cc1	ZINC000002277356	571294640	/nfs/dbraw/zinc/29/46/40/571294640.db2.gz	DMBGZPQRFZOVLN-UHFFFAOYSA-N	-1	3	365.429	4.806	50	10		FJCAHM
Cc1ccccc1[C@@H]1Oc2ccccc2[C@H]2CC(c3ccccc3[O-])=NN21	ZINC000020070593	571327870	/nfs/dbraw/zinc/32/78/70/571327870.db2.gz	YJMLJTPYUPMYPZ-OFNKIYASSA-N	-1	3	356.425	4.943	50	10		FJCAHM
[O-]c1ccccc1[C@H]1CC(c2cccnc2)=N[C@H](c2ccc(Cl)cc2)N1	ZINC000080325089	571328927	/nfs/dbraw/zinc/32/89/27/571328927.db2.gz	YSUSHDDSAGZFOT-CTNGQTDRSA-N	-1	3	363.848	4.663	50	10		FJCAHM
COc1cccc(C(=O)N[C@H](c2ccco2)c2c([O-])ccc3ccccc32)c1	ZINC000002921382	571341766	/nfs/dbraw/zinc/34/17/66/571341766.db2.gz	DRYCUTSMNDEOLV-JOCHJYFZSA-N	-1	3	373.408	4.666	50	10		FJCAHM
COc1ccc(C2=N[C@@H](c3cccs3)N[C@@H](c3ccccc3[O-])C2)cc1	ZINC000058135388	571348552	/nfs/dbraw/zinc/34/85/52/571348552.db2.gz	XEJUPWQMVLFNOT-WIYYLYMNSA-N	-1	3	364.470	4.685	50	10		FJCAHM
CCOc1ccc(N[C@H](c2ccccn2)c2ccc3cccnc3c2[O-])cc1	ZINC000000947308	206848236	/nfs/dbraw/zinc/84/82/36/206848236.db2.gz	YKIYGNLLHIJAIA-QFIPXVFZSA-N	-1	3	371.440	4.936	50	10		FJCAHM
Cc1c([C@H](C)NCc2cc(Cl)ccc2[O-])cnn1-c1cccc(F)c1	ZINC000012386990	207368050	/nfs/dbraw/zinc/36/80/50/207368050.db2.gz	VSSMZQQKGDUHPV-LBPRGKRZSA-N	-1	3	359.832	4.530	50	10		FJCAHM
CCN(CC)Cc1c([O-])ccc2c(=O)c(-c3ccccc3Cl)coc21	ZINC000019791564	220296109	/nfs/dbraw/zinc/29/61/09/220296109.db2.gz	GUYPNSDPAISEDL-UHFFFAOYSA-N	-1	3	357.837	4.661	50	10		FJCAHM
CCCCc1cc(=O)oc2c1cc(Cl)c([O-])c2CN1CCC[C@H](C)C1	ZINC000020362928	220324672	/nfs/dbraw/zinc/32/46/72/220324672.db2.gz	CFJJUQDNDHRZJU-ZDUSSCGKSA-N	-1	3	363.885	4.727	50	10		FJCAHM
COc1ccc(C2=N[C@H](c3ccccc3C)N[C@@H](c3ccccc3[O-])C2)cc1	ZINC000053364958	221046281	/nfs/dbraw/zinc/04/62/81/221046281.db2.gz	RTJMUCWJGJHCMK-VWNXMTODSA-N	-1	3	372.468	4.932	50	10		FJCAHM
COc1cccc([C@@H](Nc2cc(C)ccn2)c2ccc3cccnc3c2[O-])c1	ZINC000002978160	570545864	/nfs/dbraw/zinc/54/58/64/570545864.db2.gz	ZUWZEUHOMMKNAZ-OAQYLSRUSA-N	-1	3	371.440	4.854	50	10		FJCAHM
COc1cccc([C@H](Nc2cc(C)ccn2)c2ccc3cccnc3c2[O-])c1	ZINC000002978159	570545956	/nfs/dbraw/zinc/54/59/56/570545956.db2.gz	ZUWZEUHOMMKNAZ-NRFANRHFSA-N	-1	3	371.440	4.854	50	10		FJCAHM
CCCC(=O)N[C@@H](c1ccccc1Cl)c1ccc2cccnc2c1[O-]	ZINC000003894240	570570716	/nfs/dbraw/zinc/57/07/16/570570716.db2.gz	OWOWQMUMYCQXBI-IBGZPJMESA-N	-1	3	354.837	4.600	50	10		FJCAHM
Cc1ccnc(N[C@H](c2cccc(F)c2)c2ccc3cccnc3c2[O-])c1	ZINC000004414018	570590145	/nfs/dbraw/zinc/59/01/45/570590145.db2.gz	OTFQEKBHSZDRLM-HXUWFJFHSA-N	-1	3	359.404	4.984	50	10		FJCAHM
COc1ccccc1[C@@H](Nc1cccc(C)n1)c1ccc2cccnc2c1[O-]	ZINC000005799008	570636196	/nfs/dbraw/zinc/63/61/96/570636196.db2.gz	MOCPKBPVODSEQJ-JOCHJYFZSA-N	-1	3	371.440	4.854	50	10		FJCAHM
Cc1cccc(N[C@H](c2ccc(O)cc2)c2ccc3ccc(C)nc3c2[O-])n1	ZINC000005900692	570638492	/nfs/dbraw/zinc/63/84/92/570638492.db2.gz	GHAJWLCLZNLXNM-OAQYLSRUSA-N	-1	3	371.440	4.859	50	10		FJCAHM
Cc1ncsc1C(=O)N[C@@H](c1ccccc1)c1c([O-])ccc2ccccc21	ZINC000048360813	570950485	/nfs/dbraw/zinc/95/04/85/570950485.db2.gz	JGHARIMGJBIMDT-FQEVSTJZSA-N	-1	3	374.465	4.830	50	10		FJCAHM
COc1ccc(N[C@H](c2cccnc2)c2ccc3cccnc3c2[O-])cc1	ZINC000000888934	571123230	/nfs/dbraw/zinc/12/32/30/571123230.db2.gz	JCSSFFKTQAWGBS-HXUWFJFHSA-N	-1	3	357.413	4.546	50	10		FJCAHM
COc1ccc(N[C@@H](c2cccnc2)c2ccc3cccnc3c2[O-])cc1	ZINC000000888928	571123336	/nfs/dbraw/zinc/12/33/36/571123336.db2.gz	JCSSFFKTQAWGBS-FQEVSTJZSA-N	-1	3	357.413	4.546	50	10		FJCAHM
O=[N+]([O-])c1cccc(N[C@H](c2ccco2)c2ccc3cccnc3c2[O-])c1	ZINC000000943358	571135218	/nfs/dbraw/zinc/13/52/18/571135218.db2.gz	SPIWEAUKAPVJBW-IBGZPJMESA-N	-1	3	361.357	4.643	50	10		FJCAHM
COc1ccc([C@H]2N=C(c3ccc(C)cc3)C[C@H](c3ccccc3[O-])N2)cc1	ZINC000004729192	571200753	/nfs/dbraw/zinc/20/07/53/571200753.db2.gz	JAFYNBFXHKRRHB-VWNXMTODSA-N	-1	3	372.468	4.932	50	10		FJCAHM
Cc1cc(C)cc(Oc2coc3c(ccc([O-])c3CN3CCCC3)c2=O)c1	ZINC000019791888	571327330	/nfs/dbraw/zinc/32/73/30/571327330.db2.gz	HIQBXKJSPUSKTG-UHFFFAOYSA-N	-1	3	365.429	4.504	50	10		FJCAHM
CSc1ccc(C(=O)c2coc3ccc([O-])c(CN4CCCC4)c23)cc1	ZINC000218605579	571354968	/nfs/dbraw/zinc/35/49/68/571354968.db2.gz	VFTJYRUBDHNCAI-UHFFFAOYSA-N	-1	3	367.470	4.687	50	10		FJCAHM
Cc1ccnc(N[C@@H](c2ccccc2F)c2ccc3cccnc3c2[O-])c1	ZINC000004178900	571356521	/nfs/dbraw/zinc/35/65/21/571356521.db2.gz	LLJNUTJAVMTITA-NRFANRHFSA-N	-1	3	359.404	4.984	50	10		FJCAHM
Cc1cccc(N[C@H](c2ccccn2)c2ccc3ccc(C)nc3c2[O-])n1	ZINC000000684054	219313219	/nfs/dbraw/zinc/31/32/19/219313219.db2.gz	RHGXWTHRAGRGPU-NRFANRHFSA-N	-1	3	356.429	4.549	50	10		FJCAHM
[O-]c1c([C@H](Nc2nccs2)c2ccc(F)cc2)ccc2cccnc21	ZINC000000947312	209384295	/nfs/dbraw/zinc/38/42/95/209384295.db2.gz	MLKKTZWMRMTPFK-MRXNPFEDSA-N	-1	3	351.406	4.738	50	10		FJCAHM
COc1ccc(C)cc1N[C@H](c1ccccn1)c1ccc2cccnc2c1[O-]	ZINC000013816209	220097123	/nfs/dbraw/zinc/09/71/23/220097123.db2.gz	CBKAKNIYXPYCGO-QFIPXVFZSA-N	-1	3	371.440	4.854	50	10		FJCAHM
Cc1ccnc(N[C@H](c2cccc(C)n2)c2ccc3cccnc3c2[O-])c1	ZINC000015015617	220141785	/nfs/dbraw/zinc/14/17/85/220141785.db2.gz	IWBUDQDRPGGZSE-NRFANRHFSA-N	-1	3	356.429	4.549	50	10		FJCAHM
Cc1ccc([O-])c(C2N(Cc3ccccc3)CCN2Cc2ccccc2)c1	ZINC000019325145	220250073	/nfs/dbraw/zinc/25/00/73/220250073.db2.gz	QFFBSZRLFXPAMC-UHFFFAOYSA-N	-1	3	358.485	4.717	50	10		FJCAHM
[O-]c1ccc(Br)cc1CNc1ccc(OC(F)(F)F)cc1	ZINC000000732340	206827886	/nfs/dbraw/zinc/82/78/86/206827886.db2.gz	VXWSVYZGYQEVCC-UHFFFAOYSA-N	-1	3	362.145	4.665	50	10		FJCAHM
COc1ccc(C2=NC3(CCCCC3)N[C@H](c3ccccc3[O-])C2)cc1	ZINC000004730097	207043960	/nfs/dbraw/zinc/04/39/60/207043960.db2.gz	AEOYQZNHYLGBJP-FQEVSTJZSA-N	-1	3	350.462	4.585	50	10		FJCAHM
CCC(CC)C(=O)N1N=C(c2ccccc2[O-])C[C@@H]1c1ccc(C)cc1	ZINC000011692714	207317919	/nfs/dbraw/zinc/31/79/19/207317919.db2.gz	ZEOOYJIGXAYMHW-HXUWFJFHSA-N	-1	3	350.462	4.815	50	10		FJCAHM
COc1cccc2c1O[C@H](c1ccccc1)N1N=C(c3ccccc3[O-])C[C@@H]21	ZINC000020070940	220312625	/nfs/dbraw/zinc/31/26/25/220312625.db2.gz	JGIHLXNFNXHAAE-WMZHIEFXSA-N	-1	3	372.424	4.643	50	10		FJCAHM
CC(=O)c1c(CSc2ccccc2)oc2ccc([O-])c(CN(C)C)c21	ZINC000019898158	220304203	/nfs/dbraw/zinc/30/42/03/220304203.db2.gz	WWJHAODAHXBVMC-UHFFFAOYSA-N	-1	3	355.459	4.695	50	10		FJCAHM
Cc1ccc2ccc([C@@H](Nc3ccccn3)c3ccc(O)cc3)c([O-])c2n1	ZINC000019973544	220309107	/nfs/dbraw/zinc/30/91/07/220309107.db2.gz	RRIODFGQKSZHSE-FQEVSTJZSA-N	-1	3	357.413	4.551	50	10		FJCAHM
O=C(/C=C/c1ccccc1)N1N=C(c2ccccc2[O-])C[C@H]1c1ccccc1	ZINC000001283317	263144012	/nfs/dbraw/zinc/14/40/12/263144012.db2.gz	ZOFJXBBLZXKSMK-BQXQKYNTSA-N	-1	3	368.436	4.783	50	10		FJCAHM
COc1ccccc1[C@H](NC(=O)CC(C)C)c1c([O-])ccc2ccccc21	ZINC000000801045	570457086	/nfs/dbraw/zinc/45/70/86/570457086.db2.gz	CBBSORRBPCXQGU-QHCPKHFHSA-N	-1	3	363.457	4.806	50	10		FJCAHM
CCOc1cc(/C=C2/C(=O)N(c3ccc(C)cc3)N=C2C)cc(Cl)c1[O-]	ZINC000000997775	570470148	/nfs/dbraw/zinc/47/01/48/570470148.db2.gz	CERNUMHAYAPUEV-CXUHLZMHSA-N	-1	3	370.836	4.559	50	10		FJCAHM
[O-]c1c([C@H](Nc2ccccn2)c2ccccn2)cc(Cl)c2cccnc12	ZINC000005049225	570619603	/nfs/dbraw/zinc/61/96/03/570619603.db2.gz	VUANHPCNSHUHCF-SFHVURJKSA-N	-1	3	362.820	4.585	50	10		FJCAHM
CCc1c(C)c2cc(Cl)c([O-])c(CN3CCCC[C@@H]3CC)c2oc1=O	ZINC000020393898	570915173	/nfs/dbraw/zinc/91/51/73/570915173.db2.gz	PFDDGUWIRTVZEM-ZDUSSCGKSA-N	-1	3	363.885	4.787	50	10		FJCAHM
COc1ccc2ccc([O-])c(CN3CCCc4cc(C)cc(F)c43)c2c1	ZINC000084128954	571074163	/nfs/dbraw/zinc/07/41/63/571074163.db2.gz	VOVIFVPVGZBMDD-UHFFFAOYSA-N	-1	3	351.421	4.954	50	10		FJCAHM
[O-]c1c([C@H](Nc2ccccn2)c2ccncc2)cc(Cl)c2cccnc12	ZINC000040384073	571095337	/nfs/dbraw/zinc/09/53/37/571095337.db2.gz	JQHLLBXEINTDJB-GOSISDBHSA-N	-1	3	362.820	4.585	50	10		FJCAHM
O=[N+]([O-])c1ccc(/N=N/Cc2c([O-])ccc3ccccc32)c([N+](=O)[O-])c1	ZINC000004798400	571132106	/nfs/dbraw/zinc/13/21/06/571132106.db2.gz	LDROVBUDWXUASY-VHEBQXMUSA-N	-1	3	352.306	4.646	50	10		FJCAHM
CCC(CC)C(=O)N1N=C(c2ccccc2[O-])C[C@@H]1c1ccccc1C	ZINC000023042560	571203961	/nfs/dbraw/zinc/20/39/61/571203961.db2.gz	GYPKOBVGXMUEPO-HXUWFJFHSA-N	-1	3	350.462	4.815	50	10		FJCAHM
COc1cccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4[O-])=NN32)c1	ZINC000006721605	571243609	/nfs/dbraw/zinc/24/36/09/571243609.db2.gz	JUFATVCUNXPDPU-NZQKXSOJSA-N	-1	3	372.424	4.643	50	10		FJCAHM
Cc1oc2c(ccc([O-])c2CN2CCC[C@@H](C)C2)c(=O)c1-c1ccccc1	ZINC000020358318	571328883	/nfs/dbraw/zinc/32/88/83/571328883.db2.gz	ULLJHZIGKGQYED-OAHLLOKOSA-N	-1	3	363.457	4.706	50	10		FJCAHM
[O-]c1ccccc1[C@H]1CC(c2cccnc2)=N[C@@H](c2ccc(Cl)cc2)N1	ZINC000080325096	571328962	/nfs/dbraw/zinc/32/89/62/571328962.db2.gz	YSUSHDDSAGZFOT-TZIWHRDSSA-N	-1	3	363.848	4.663	50	10		FJCAHM
Cc1cccc(N[C@H](c2cccc(F)c2)c2ccc3cccnc3c2[O-])n1	ZINC000002470541	571337138	/nfs/dbraw/zinc/33/71/38/571337138.db2.gz	XKFLXZSCIQRNTM-HXUWFJFHSA-N	-1	3	359.404	4.984	50	10		FJCAHM
CC(C)C(=O)N[C@H](c1cccs1)c1cc(Cl)c2cccnc2c1[O-]	ZINC000000801105	219322360	/nfs/dbraw/zinc/32/23/60/219322360.db2.gz	MUXXALTZLCUMQQ-HNNXBMFYSA-N	-1	3	360.866	4.517	50	10		FJCAHM
Cc1ccc([C@@H](NC(=O)c2ccccc2)c2ccc3cccnc3c2[O-])cc1	ZINC000000972739	219348684	/nfs/dbraw/zinc/34/86/84/219348684.db2.gz	KISDJXZVLXBGQQ-OAQYLSRUSA-N	-1	3	368.436	4.768	50	10		FJCAHM
O=C1N=C(Nc2cccc(Cl)c2Cl)SC1=Cc1ccc([O-])cc1	ZINC000001217544	219390645	/nfs/dbraw/zinc/39/06/45/219390645.db2.gz	RJSRAXNTPSBJMT-JYRVWZFOSA-N	-1	3	365.241	4.781	50	10		FJCAHM
CC(=Nc1ccc(C)cc1)c1c(C)[n-]n(-c2nc3ccccc3s2)c1=O	ZINC000100423055	209213765	/nfs/dbraw/zinc/21/37/65/209213765.db2.gz	VNHSTZFKIDIXIY-AQTBWJFISA-N	-1	3	362.458	4.713	50	10		FJCAHM
CN(Cc1nc2ccccc2n1C(F)F)Cc1c([O-])ccc2ccccc21	ZINC000012519916	220001696	/nfs/dbraw/zinc/00/16/96/220001696.db2.gz	ZOKOWDPXNVTREX-UHFFFAOYSA-N	-1	3	367.399	4.922	50	10		FJCAHM
Cc1ccc([C@H](NC(=O)c2ccccc2)c2ccc3cccnc3c2[O-])cc1	ZINC000000972738	206850120	/nfs/dbraw/zinc/85/01/20/206850120.db2.gz	KISDJXZVLXBGQQ-NRFANRHFSA-N	-1	3	368.436	4.768	50	10		FJCAHM
Cc1ccnc(N[C@H](c2ccccc2F)c2ccc3cccnc3c2[O-])c1	ZINC000004178903	207003887	/nfs/dbraw/zinc/00/38/87/207003887.db2.gz	LLJNUTJAVMTITA-OAQYLSRUSA-N	-1	3	359.404	4.984	50	10		FJCAHM
COc1ccc([C@H](Nc2ccccn2)c2c([O-])ccc3ncccc32)cc1	ZINC000004841958	207054152	/nfs/dbraw/zinc/05/41/52/207054152.db2.gz	RGZLLMZYKBBZCE-QFIPXVFZSA-N	-1	3	357.413	4.546	50	10		FJCAHM
Cc1ccnc(N[C@H](c2cc(C)ccc2O)c2ccc3cccnc3c2[O-])c1	ZINC000005587788	207107680	/nfs/dbraw/zinc/10/76/80/207107680.db2.gz	RLGUWGFDXOZRHK-QFIPXVFZSA-N	-1	3	371.440	4.859	50	10		FJCAHM
Cc1cccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4[O-])=NN32)c1	ZINC000006721587	207156981	/nfs/dbraw/zinc/15/69/81/207156981.db2.gz	YXGAAQZMOMFLCZ-NZQKXSOJSA-N	-1	3	356.425	4.943	50	10		FJCAHM
O=C1c2ccccc2N[C@H](c2cc(Cl)ccc2[O-])N1Cc1ccccc1	ZINC000007884277	207209799	/nfs/dbraw/zinc/20/97/99/207209799.db2.gz	DBMAHIOQAMURCF-FQEVSTJZSA-N	-1	3	364.832	4.812	50	10		FJCAHM
Cc1ccc([C@@H](c2cc([N+](=O)[O-])ccc2[O-])N(C)Cc2ccccc2)cc1	ZINC000048252110	208394425	/nfs/dbraw/zinc/39/44/25/208394425.db2.gz	OXCKRQBCQZWUPV-QFIPXVFZSA-N	-1	3	362.429	4.830	50	10		FJCAHM
Cc1ccnc(N[C@@H](c2cccc(C)n2)c2ccc3cccnc3c2[O-])c1	ZINC000019799873	220298539	/nfs/dbraw/zinc/29/85/39/220298539.db2.gz	IWBUDQDRPGGZSE-OAQYLSRUSA-N	-1	3	356.429	4.549	50	10		FJCAHM
Cc1ccnc(N[C@H](c2ccc(O)cc2)c2ccc3ccc(C)nc3c2[O-])c1	ZINC000019843071	220302276	/nfs/dbraw/zinc/30/22/76/220302276.db2.gz	RUPKWOYNNNRMPC-OAQYLSRUSA-N	-1	3	371.440	4.859	50	10		FJCAHM
Cc1cccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccccc4[O-])=NN32)c1	ZINC000020070585	220312549	/nfs/dbraw/zinc/31/25/49/220312549.db2.gz	YXGAAQZMOMFLCZ-NFBKMPQASA-N	-1	3	356.425	4.943	50	10		FJCAHM
Cc1cc(Nc2c3ccccc3nc3ccccc32)cc(S(=O)(=O)[O-])c1	ZINC000033698580	220748578	/nfs/dbraw/zinc/74/85/78/220748578.db2.gz	DEFIFEOBQRGNJH-UHFFFAOYSA-N	-1	3	364.426	4.687	50	10		FJCAHM
Cc1cccc(N[C@@H](c2ccccn2)c2ccc3ccc(C)nc3c2[O-])n1	ZINC000000684055	570450200	/nfs/dbraw/zinc/45/02/00/570450200.db2.gz	RHGXWTHRAGRGPU-OAQYLSRUSA-N	-1	3	356.429	4.549	50	10		FJCAHM
COc1cccc([C@@H](Nc2ccccn2)c2ccc3cccnc3c2[O-])c1	ZINC000001168796	570486840	/nfs/dbraw/zinc/48/68/40/570486840.db2.gz	LRIKTDRCLNJXMA-HXUWFJFHSA-N	-1	3	357.413	4.546	50	10		FJCAHM
[O-]c1ccc(Br)cc1CNc1ccc(Br)cc1	ZINC000002570911	570525178	/nfs/dbraw/zinc/52/51/78/570525178.db2.gz	AKFAJHDKJVODAV-UHFFFAOYSA-N	-1	3	357.045	4.529	50	10		FJCAHM
Cc1cccc(N[C@@H](c2ccccc2F)c2ccc3cccnc3c2[O-])n1	ZINC000004123982	570577737	/nfs/dbraw/zinc/57/77/37/570577737.db2.gz	NFLUORGVNBEVNW-NRFANRHFSA-N	-1	3	359.404	4.984	50	10		FJCAHM
Cc1ccnc(N[C@@H](c2cccc(O)c2)c2ccc3ccc(C)nc3c2[O-])c1	ZINC000004164761	570579545	/nfs/dbraw/zinc/57/95/45/570579545.db2.gz	DVZKOAUVYRODMT-NRFANRHFSA-N	-1	3	371.440	4.859	50	10		FJCAHM
Cc1ccnc(N[C@@H](c2cccc(F)c2)c2ccc3cccnc3c2[O-])c1	ZINC000004414017	570590109	/nfs/dbraw/zinc/59/01/09/570590109.db2.gz	OTFQEKBHSZDRLM-FQEVSTJZSA-N	-1	3	359.404	4.984	50	10		FJCAHM
O=c1c(-c2ccccc2Cl)coc2c1ccc([O-])c2CN1CCCCC1	ZINC000019791565	570903309	/nfs/dbraw/zinc/90/33/09/570903309.db2.gz	JANOYIURUBBYQI-UHFFFAOYSA-N	-1	3	369.848	4.805	50	10		FJCAHM
CC(C)[C@@H]1N=C(c2cccc(Br)c2)C[C@@H](c2ccccc2[O-])N1	ZINC000002500180	571148036	/nfs/dbraw/zinc/14/80/36/571148036.db2.gz	OUDKXEDFMSPPJI-PKOBYXMFSA-N	-1	3	373.294	4.661	50	10		FJCAHM
CCN(CC)Cc1c([O-])ccc2c(=O)c(-c3ccc(Cl)cc3)coc21	ZINC000019526429	571207868	/nfs/dbraw/zinc/20/78/68/571207868.db2.gz	IRHGBZGOHWRMDW-UHFFFAOYSA-N	-1	3	357.837	4.661	50	10		FJCAHM
[O-]c1ccccc1C1=NN2[C@@H](C1)c1ccccc1O[C@H]2c1ccc(F)cc1	ZINC000006721585	571243590	/nfs/dbraw/zinc/24/35/90/571243590.db2.gz	HVQOFMNBFJKVMT-UGKGYDQZSA-N	-1	3	360.388	4.774	50	10		FJCAHM
CCCCC(=O)N[C@H](c1ccc(Cl)cc1)c1ccc2cccnc2c1[O-]	ZINC000003894239	571292871	/nfs/dbraw/zinc/29/28/71/571292871.db2.gz	UAXCAMFEQNFDHG-LJQANCHMSA-N	-1	3	368.864	4.990	50	10		FJCAHM
Cc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccccc4[O-])=NN32)cc1	ZINC000020070572	571327901	/nfs/dbraw/zinc/32/79/01/571327901.db2.gz	YMWMUXZOAFBISN-NFBKMPQASA-N	-1	3	356.425	4.943	50	10		FJCAHM
[O-]c1ccccc1[C@@H]1CC(c2cccnc2)=N[C@@H](c2ccc(Cl)cc2)N1	ZINC000080325093	571328933	/nfs/dbraw/zinc/32/89/33/571328933.db2.gz	YSUSHDDSAGZFOT-PZJWPPBQSA-N	-1	3	363.848	4.663	50	10		FJCAHM
COc1cccc([C@H](Nc2ccccn2)c2ccc3ccc(C)nc3c2[O-])c1	ZINC000002497703	571337479	/nfs/dbraw/zinc/33/74/79/571337479.db2.gz	UBJAGHISPIQEDY-NRFANRHFSA-N	-1	3	371.440	4.854	50	10		FJCAHM
Cc1ccc2ccc([C@@H](Nc3ccccn3)c3ccccc3F)c([O-])c2n1	ZINC000002502835	571337535	/nfs/dbraw/zinc/33/75/35/571337535.db2.gz	ZBSFWMFAUJYPJC-NRFANRHFSA-N	-1	3	359.404	4.984	50	10		FJCAHM
COc1ccc(C2=N[C@H](c3cccs3)N[C@@H](c3ccccc3[O-])C2)cc1	ZINC000058135380	571348554	/nfs/dbraw/zinc/34/85/54/571348554.db2.gz	XEJUPWQMVLFNOT-NQIIRXRSSA-N	-1	3	364.470	4.685	50	10		FJCAHM
O=C(c1ccco1)c1coc2ccc([O-])c(CN3CCc4ccccc4C3)c12	ZINC000217945735	571351745	/nfs/dbraw/zinc/35/17/45/571351745.db2.gz	XIUAHAFEHGNAJR-UHFFFAOYSA-N	-1	3	373.408	4.521	50	10		FJCAHM
O=c1cc(-c2ccccc2)c2cc(Cl)c([O-])c(CN3CCCCC3)c2o1	ZINC000019789549	220295787	/nfs/dbraw/zinc/29/57/87/220295787.db2.gz	YMWDQZYSJHHBAA-UHFFFAOYSA-N	-1	3	369.848	4.805	50	10		FJCAHM
O=c1c2ccc([O-])c(CN3CCCCC3)c2occ1-c1ccc(Cl)cc1	ZINC000019787209	220296129	/nfs/dbraw/zinc/29/61/29/220296129.db2.gz	OYTJCTUKYYQNSY-UHFFFAOYSA-N	-1	3	369.848	4.805	50	10		FJCAHM
[O-]c1c([C@H](Nc2ccccn2)c2cccnc2)cc(Cl)c2cccnc12	ZINC000019849858	220301790	/nfs/dbraw/zinc/30/17/90/220301790.db2.gz	ZQQXRNUVLBLBNW-GOSISDBHSA-N	-1	3	362.820	4.585	50	10		FJCAHM
Cc1ccnc(N[C@@H](c2ccncc2)c2ccc3ccc(C)nc3c2[O-])c1	ZINC000019843079	220302023	/nfs/dbraw/zinc/30/20/23/220302023.db2.gz	FIOVIGVOJAZZSD-FQEVSTJZSA-N	-1	3	356.429	4.549	50	10		FJCAHM
Cc1oc2c(ccc([O-])c2CN2CCCC[C@H]2C)c(=O)c1-c1ccccc1	ZINC000020437978	263380558	/nfs/dbraw/zinc/38/05/58/263380558.db2.gz	SUNBMLHSCFCBOB-OAHLLOKOSA-N	-1	3	363.457	4.848	50	10		FJCAHM
Cc1ccc([C@@H](NC(=O)C(C)C)c2cc(Cl)c3cccnc3c2[O-])cc1	ZINC000000801091	568253009	/nfs/dbraw/zinc/25/30/09/568253009.db2.gz	NSHKLFCPKDWPFW-GOSISDBHSA-N	-1	3	368.864	4.764	50	10		FJCAHM
Cc1ccnc(N[C@H](c2cccnc2)c2ccc3ccc(C)nc3c2[O-])c1	ZINC000002470589	570521935	/nfs/dbraw/zinc/52/19/35/570521935.db2.gz	ONEBJPDLVVOZFG-HXUWFJFHSA-N	-1	3	356.429	4.549	50	10		FJCAHM
CCCc1cc(=O)oc2c1cc(Cl)c([O-])c2CN1CCCC[C@H]1CC	ZINC000020332028	570914274	/nfs/dbraw/zinc/91/42/74/570914274.db2.gz	YVJZCSTYCGPQEY-CQSZACIVSA-N	-1	3	363.885	4.869	50	10		FJCAHM
CCCCc1cc(=O)oc2c1cc(Cl)c([O-])c2CN1CCC[C@@H](C)C1	ZINC000020362926	570914868	/nfs/dbraw/zinc/91/48/68/570914868.db2.gz	CFJJUQDNDHRZJU-CYBMUJFWSA-N	-1	3	363.885	4.727	50	10		FJCAHM
CS[C@@H](C)C(=O)N[C@H](c1ccccc1)c1c([O-])ccc2ccccc21	ZINC000048342542	570948150	/nfs/dbraw/zinc/94/81/50/570948150.db2.gz	OYOGEYYBSLATSR-VBKZILBWSA-N	-1	3	351.471	4.503	50	10		FJCAHM
Cc1ncsc1C(=O)N[C@H](c1ccccc1)c1c([O-])ccc2ccccc21	ZINC000048360816	570950641	/nfs/dbraw/zinc/95/06/41/570950641.db2.gz	JGHARIMGJBIMDT-HXUWFJFHSA-N	-1	3	374.465	4.830	50	10		FJCAHM
Cc1cc(Br)ccc1NCc1cc(Br)ccc1[O-]	ZINC000044836244	571102188	/nfs/dbraw/zinc/10/21/88/571102188.db2.gz	CJWPYHGACGWZQR-UHFFFAOYSA-N	-1	3	371.072	4.838	50	10		FJCAHM
[O-]c1c([C@@H](Nc2nccs2)c2ccc(F)cc2)ccc2cccnc21	ZINC000000947313	571138495	/nfs/dbraw/zinc/13/84/95/571138495.db2.gz	MLKKTZWMRMTPFK-INIZCTEOSA-N	-1	3	351.406	4.738	50	10		FJCAHM
CCCC(=O)N[C@H](c1ccc(Cl)cc1)c1ccc2cccnc2c1[O-]	ZINC000003894237	571188489	/nfs/dbraw/zinc/18/84/89/571188489.db2.gz	WUYUBRRFSCEXCC-GOSISDBHSA-N	-1	3	354.837	4.600	50	10		FJCAHM
O=C1c2ccccc2N[C@@H](c2cc(Cl)ccc2[O-])N1Cc1ccccc1	ZINC000007884275	571290574	/nfs/dbraw/zinc/29/05/74/571290574.db2.gz	DBMAHIOQAMURCF-HXUWFJFHSA-N	-1	3	364.832	4.812	50	10		FJCAHM
COc1cccc2c1O[C@H](C(C)C)N1N=C(c3cc(Cl)ccc3[O-])C[C@H]21	ZINC000020070931	571327911	/nfs/dbraw/zinc/32/79/11/571327911.db2.gz	IZITVIKIAXTQAK-OXQOHEQNSA-N	-1	3	372.852	4.580	50	10		FJCAHM
[O-]c1ccccc1[C@@H]1CC(c2cccnc2)=N[C@H](c2ccc(Cl)cc2)N1	ZINC000080325084	571328890	/nfs/dbraw/zinc/32/88/90/571328890.db2.gz	YSUSHDDSAGZFOT-FPOVZHCZSA-N	-1	3	363.848	4.663	50	10		FJCAHM
Cc1cccc(N[C@@H](c2cccc(F)c2)c2ccc3cccnc3c2[O-])n1	ZINC000002470536	571337154	/nfs/dbraw/zinc/33/71/54/571337154.db2.gz	XKFLXZSCIQRNTM-FQEVSTJZSA-N	-1	3	359.404	4.984	50	10		FJCAHM
COc1cccc([C@@H](Nc2ccccn2)c2ccc3ccc(C)nc3c2[O-])c1	ZINC000002497697	571337475	/nfs/dbraw/zinc/33/74/75/571337475.db2.gz	UBJAGHISPIQEDY-OAQYLSRUSA-N	-1	3	371.440	4.854	50	10		FJCAHM
O=[N+]([O-])c1cccc(N[C@@H](c2ccco2)c2ccc3cccnc3c2[O-])c1	ZINC000000943359	219344225	/nfs/dbraw/zinc/34/42/25/219344225.db2.gz	SPIWEAUKAPVJBW-LJQANCHMSA-N	-1	3	361.357	4.643	50	10		FJCAHM
CCCC(=O)N[C@H](c1ccc(N(C)C)cc1)c1c([O-])ccc2ccccc21	ZINC000000970912	219347444	/nfs/dbraw/zinc/34/74/44/219347444.db2.gz	QLLLGTLCYGMVDG-HSZRJFAPSA-N	-1	3	362.473	4.617	50	10		FJCAHM
COc1cccc(C2=N[C@@H](C(C)C)N[C@@H](c3cc(Cl)ccc3[O-])C2)c1	ZINC000004729694	207043071	/nfs/dbraw/zinc/04/30/71/207043071.db2.gz	VCKHPLJVEOHZIB-UYAOXDASSA-N	-1	3	358.869	4.560	50	10		FJCAHM
COc1ccc(C2=N[C@H](c3ccc(C)cc3)N[C@H](c3ccccc3[O-])C2)cc1	ZINC000053362889	221044302	/nfs/dbraw/zinc/04/43/02/221044302.db2.gz	DCRLSKPMWVPOJF-UPVQGACJSA-N	-1	3	372.468	4.932	50	10		FJCAHM
COc1ccc([C@@H](NC(=O)CC(C)C)c2c([O-])ccc3ccccc32)cc1	ZINC000000801048	570457005	/nfs/dbraw/zinc/45/70/05/570457005.db2.gz	SBEQKDJKIXQPDJ-HSZRJFAPSA-N	-1	3	363.457	4.806	50	10		FJCAHM
Cc1cc(NCc2cc(Br)ccc2[O-])ccc1Br	ZINC000002570908	570525196	/nfs/dbraw/zinc/52/51/96/570525196.db2.gz	XOBZAZRVRZVEGT-UHFFFAOYSA-N	-1	3	371.072	4.838	50	10		FJCAHM
Cc1oc2c(ccc([O-])c2CN2CCCCCC2)c(=O)c1-c1ccccc1	ZINC000020647590	570922825	/nfs/dbraw/zinc/92/28/25/570922825.db2.gz	QCQZDCOXLVAICE-UHFFFAOYSA-N	-1	3	363.457	4.850	50	10		FJCAHM
COc1ccc2ccc([O-])c(CN3CCCc4cc(F)cc(F)c43)c2c1	ZINC000083970357	571063513	/nfs/dbraw/zinc/06/35/13/571063513.db2.gz	PGNPFJHPWRVJLD-UHFFFAOYSA-N	-1	3	355.384	4.785	50	10		FJCAHM
O=C1c2ccccc2N[C@@H](c2cc(O)c([O-])c(Cl)c2)N1c1ccccc1	ZINC000007363910	571264763	/nfs/dbraw/zinc/26/47/63/571264763.db2.gz	JTTWKZNHVIUHBH-LJQANCHMSA-N	-1	3	366.804	4.522	50	10		FJCAHM
CN(Cc1ccccc1)Cc1c2c(C(=O)c3ccco3)coc2ccc1[O-]	ZINC000252485480	571280443	/nfs/dbraw/zinc/28/04/43/571280443.db2.gz	GWFVVEPWDWWIKF-UHFFFAOYSA-N	-1	3	361.397	4.594	50	10		FJCAHM
O=C(c1coc2ccc([O-])c(CN3CCCC3)c12)c1ccc(Cl)cc1	ZINC000252501907	571319716	/nfs/dbraw/zinc/31/97/16/571319716.db2.gz	ULEYPXIDLAQMSO-UHFFFAOYSA-N	-1	3	355.821	4.619	50	10		FJCAHM
Cc1ccccc1[C@H]1Oc2ccccc2[C@H]2CC(c3ccccc3[O-])=NN21	ZINC000020070596	571327892	/nfs/dbraw/zinc/32/78/92/571327892.db2.gz	YJMLJTPYUPMYPZ-NFBKMPQASA-N	-1	3	356.425	4.943	50	10		FJCAHM
COc1cccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccccc4[O-])=NN32)c1	ZINC000020070640	571327920	/nfs/dbraw/zinc/32/79/20/571327920.db2.gz	JUFATVCUNXPDPU-OFNKIYASSA-N	-1	3	372.424	4.643	50	10		FJCAHM
CCC(CC)C(=O)N1N=C(c2ccccc2[O-])C[C@H]1c1cccc(C)c1	ZINC000095116588	571328638	/nfs/dbraw/zinc/32/86/38/571328638.db2.gz	ZYXXBDNGLMKDRQ-FQEVSTJZSA-N	-1	3	350.462	4.815	50	10		FJCAHM
CCC(CC)C(=O)N1N=C(c2ccccc2[O-])C[C@@H]1c1cccc(C)c1	ZINC000095116589	571328644	/nfs/dbraw/zinc/32/86/44/571328644.db2.gz	ZYXXBDNGLMKDRQ-HXUWFJFHSA-N	-1	3	350.462	4.815	50	10		FJCAHM
CN(Cc1ccccc1)Cc1c([O-])ccc2c(-c3ccccc3)cc(=O)oc21	ZINC000000934318	219342404	/nfs/dbraw/zinc/34/24/04/219342404.db2.gz	UJDDXBAHKLXHGZ-UHFFFAOYSA-N	-1	3	371.436	4.798	50	10		FJCAHM
Cc1cccc(N[C@H](c2cccc(C)n2)c2ccc3ccc(C)nc3c2[O-])n1	ZINC000001168837	219384611	/nfs/dbraw/zinc/38/46/11/219384611.db2.gz	RHYVTSSHEZTLOO-QFIPXVFZSA-N	-1	3	370.456	4.857	50	10		FJCAHM
CCCC(=O)N[C@@H](c1cccs1)c1cc(Cl)c2cccnc2c1[O-]	ZINC000000801100	209377628	/nfs/dbraw/zinc/37/76/28/209377628.db2.gz	YGWFEEPDVXIOHB-MRXNPFEDSA-N	-1	3	360.866	4.661	50	10		FJCAHM
COc1cccc(CN(C)Cc2cc(Cl)c3ccccc3c2[O-])c1OC	ZINC000013074018	220056500	/nfs/dbraw/zinc/05/65/00/220056500.db2.gz	YZMJACLWJMREHT-UHFFFAOYSA-N	-1	3	371.864	4.848	50	10		FJCAHM
Cc1ccc(C)c([C@@H](Nc2ncccn2)c2ccc3cccnc3c2[O-])c1	ZINC000004865994	207057740	/nfs/dbraw/zinc/05/77/40/207057740.db2.gz	DSBAABFLXWEIFR-FQEVSTJZSA-N	-1	3	356.429	4.549	50	10		FJCAHM
CCCc1[n-]n(-c2ccc(F)cc2)c(=O)c1C=Nc1ccc(Cl)cc1	ZINC000012410892	207371037	/nfs/dbraw/zinc/37/10/37/207371037.db2.gz	GTLHJYGKTXZALM-ATVHPVEESA-N	-1	3	357.816	4.978	50	10		FJCAHM
CCc1c(C)c2cc(Cl)c([O-])c(CN3CCCC[C@H]3CC)c2oc1=O	ZINC000020393895	220326212	/nfs/dbraw/zinc/32/62/12/220326212.db2.gz	PFDDGUWIRTVZEM-CYBMUJFWSA-N	-1	3	363.885	4.787	50	10		FJCAHM
CC(=O)c1c(CSCc2ccccc2)oc2ccc([O-])c(CN(C)C)c21	ZINC000000778192	568201816	/nfs/dbraw/zinc/20/18/16/568201816.db2.gz	YKBKBQVKYLKBFB-UHFFFAOYSA-N	-1	3	369.486	4.836	50	10		FJCAHM
Cc1cc2n(n1)[C@@H](c1cc(Br)ccc1[O-])Nc1ccc(C)cc1-2	ZINC000000627837	570439978	/nfs/dbraw/zinc/43/99/78/570439978.db2.gz	DYUWRYKSRFWFCS-SFHVURJKSA-N	-1	3	370.250	4.607	50	10		FJCAHM
O=C(Cc1ccccc1)N[C@H](c1ccco1)c1c([O-])ccc2ccccc21	ZINC000002873383	570541347	/nfs/dbraw/zinc/54/13/47/570541347.db2.gz	PFRWQHNNDMDEFX-HSZRJFAPSA-N	-1	3	357.409	4.587	50	10		FJCAHM
CCCC(=O)N[C@H](c1ccccc1Cl)c1ccc2cccnc2c1[O-]	ZINC000003894241	570570452	/nfs/dbraw/zinc/57/04/52/570570452.db2.gz	OWOWQMUMYCQXBI-LJQANCHMSA-N	-1	3	354.837	4.600	50	10		FJCAHM
Cc1oc2c(ccc([O-])c2CN2CCCC2)c(=O)c1-c1ccc(Cl)cc1	ZINC000005255234	570640213	/nfs/dbraw/zinc/64/02/13/570640213.db2.gz	YYGHREHMWUMBEF-UHFFFAOYSA-N	-1	3	369.848	4.723	50	10		FJCAHM
CCCCn1c2ccccc2nc1NCc1cc(Br)ccc1[O-]	ZINC000013536184	570778726	/nfs/dbraw/zinc/77/87/26/570778726.db2.gz	JKAWNZMERHJFSN-UHFFFAOYSA-N	-1	3	374.282	4.917	50	10		FJCAHM
CS[C@H](C)C(=O)N[C@@H](c1ccccc1)c1c([O-])ccc2ccccc21	ZINC000048342540	570948426	/nfs/dbraw/zinc/94/84/26/570948426.db2.gz	OYOGEYYBSLATSR-VLIAUNLRSA-N	-1	3	351.471	4.503	50	10		FJCAHM
COc1cccc(N[C@H](c2ccccn2)c2ccc3cccnc3c2[O-])c1	ZINC000001463225	571115183	/nfs/dbraw/zinc/11/51/83/571115183.db2.gz	JQWSGURQZZPYKY-NRFANRHFSA-N	-1	3	357.413	4.546	50	10		FJCAHM
COc1cccc2c1O[C@@H](c1ccccc1)N1N=C(c3ccccc3[O-])C[C@@H]21	ZINC000169681524	571247125	/nfs/dbraw/zinc/24/71/25/571247125.db2.gz	JGIHLXNFNXHAAE-CVDCTZTESA-N	-1	3	372.424	4.643	50	10		FJCAHM
CCOc1cc(/C=C2\C(=O)N(c3ccc(C)cc3)N=C2C)cc(Cl)c1[O-]	ZINC000013914424	571271574	/nfs/dbraw/zinc/27/15/74/571271574.db2.gz	CERNUMHAYAPUEV-SXGWCWSVSA-N	-1	3	370.836	4.559	50	10		FJCAHM
CCCCC(=O)N[C@@H](c1ccccc1Cl)c1ccc2cccnc2c1[O-]	ZINC000003894242	571292829	/nfs/dbraw/zinc/29/28/29/571292829.db2.gz	YJVWZPHTRDHQJX-FQEVSTJZSA-N	-1	3	368.864	4.990	50	10		FJCAHM
CCCCC(=O)N[C@H](c1ccccc1)c1cc(Cl)c2cccnc2c1[O-]	ZINC000002816853	571293349	/nfs/dbraw/zinc/29/33/49/571293349.db2.gz	QJPPDBAPLCTLOY-LJQANCHMSA-N	-1	3	368.864	4.990	50	10		FJCAHM
Cc1ccc2ccc([C@H](Nc3ccccn3)c3ccccc3F)c([O-])c2n1	ZINC000002502834	571337566	/nfs/dbraw/zinc/33/75/66/571337566.db2.gz	ZBSFWMFAUJYPJC-OAQYLSRUSA-N	-1	3	359.404	4.984	50	10		FJCAHM
COc1cccc(C(=O)N[C@@H](c2ccco2)c2c([O-])ccc3ccccc32)c1	ZINC000002921381	571341760	/nfs/dbraw/zinc/34/17/60/571341760.db2.gz	DRYCUTSMNDEOLV-QFIPXVFZSA-N	-1	3	373.408	4.666	50	10		FJCAHM
CCCC(=O)N[C@@H](c1ccc(N(C)C)cc1)c1c([O-])ccc2ccccc21	ZINC000000970911	209384547	/nfs/dbraw/zinc/38/45/47/209384547.db2.gz	QLLLGTLCYGMVDG-QHCPKHFHSA-N	-1	3	362.473	4.617	50	10		FJCAHM
CCC[C@]1(C)N=C(c2ccc(OCC)cc2)C[C@@H](c2ccccc2[O-])N1	ZINC000004729846	207043875	/nfs/dbraw/zinc/04/38/75/207043875.db2.gz	KCNDGUITQQKEST-RBBKRZOGSA-N	-1	3	352.478	4.831	50	10		FJCAHM
COc1ccc([C@@H](Nc2ccccn2)c2c([O-])ccc3ncccc32)cc1	ZINC000004841959	207054828	/nfs/dbraw/zinc/05/48/28/207054828.db2.gz	RGZLLMZYKBBZCE-JOCHJYFZSA-N	-1	3	357.413	4.546	50	10		FJCAHM
O=C([O-])CCN1CCC(=C2c3ccsc3SCc3ccccc32)CC1	ZINC000006929325	207178106	/nfs/dbraw/zinc/17/81/06/207178106.db2.gz	YLTLPKNVEOLZIF-UHFFFAOYSA-N	-1	3	371.527	4.726	50	10		FJCAHM
CSCC[C@@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3ccccc3[O-])=NN21	ZINC000020070692	220312165	/nfs/dbraw/zinc/31/21/65/220312165.db2.gz	GAKRXKSFTRYFJG-APWZRJJASA-N	-1	3	374.893	4.668	50	10		FJCAHM
Cc1ccc2ccc([C@H](Nc3ccccn3)c3ccc(O)cc3)c([O-])c2n1	ZINC000019973545	220308326	/nfs/dbraw/zinc/30/83/26/220308326.db2.gz	RRIODFGQKSZHSE-HXUWFJFHSA-N	-1	3	357.413	4.551	50	10		FJCAHM
Cc1oc2c(ccc([O-])c2CN2CCC(C)CC2)c(=O)c1-c1ccccc1	ZINC000020357629	220324392	/nfs/dbraw/zinc/32/43/92/220324392.db2.gz	LOBYIKIHFGNGQX-UHFFFAOYSA-N	-1	3	363.457	4.706	50	10		FJCAHM
COc1cccc2c1O[C@@H](C(C)C)N1N=C(c3cc(Cl)ccc3[O-])C[C@H]21	ZINC000103562907	222339991	/nfs/dbraw/zinc/33/99/91/222339991.db2.gz	IZITVIKIAXTQAK-UZLBHIALSA-N	-1	3	372.852	4.580	50	10		FJCAHM
Cc1ccnc(N[C@@H](c2ccccn2)c2ccc3ccc(C)nc3c2[O-])c1	ZINC000001120767	263142720	/nfs/dbraw/zinc/14/27/20/263142720.db2.gz	IIWPMNYYCZOWBD-OAQYLSRUSA-N	-1	3	356.429	4.549	50	10		FJCAHM
COc1cccc([C@H](Nc2ccccn2)c2ccc3cccnc3c2[O-])c1	ZINC000001168795	570486869	/nfs/dbraw/zinc/48/68/69/570486869.db2.gz	LRIKTDRCLNJXMA-FQEVSTJZSA-N	-1	3	357.413	4.546	50	10		FJCAHM
COc1ccccc1N[C@H](c1cccnc1)c1ccc2cccnc2c1[O-]	ZINC000001448886	570500598	/nfs/dbraw/zinc/50/05/98/570500598.db2.gz	RTAVGXLOBDXKDJ-HXUWFJFHSA-N	-1	3	357.413	4.546	50	10		FJCAHM
CCC(CC)C(=O)N1N=C(c2ccccc2[O-])C[C@H]1c1ccc(C)cc1	ZINC000011692715	570547302	/nfs/dbraw/zinc/54/73/02/570547302.db2.gz	ZEOOYJIGXAYMHW-FQEVSTJZSA-N	-1	3	350.462	4.815	50	10		FJCAHM
Cc1cccc(N[C@@H](c2ccc(F)cc2)c2ccc3cccnc3c2[O-])n1	ZINC000004123956	570577576	/nfs/dbraw/zinc/57/75/76/570577576.db2.gz	QFWYBZBGLVKJGT-FQEVSTJZSA-N	-1	3	359.404	4.984	50	10		FJCAHM
O=C(Cc1ccccc1)N[C@H](c1ccccc1)c1c([O-])ccc2ccccc21	ZINC000002870197	571070230	/nfs/dbraw/zinc/07/02/30/571070230.db2.gz	VZXZJYDEPXDLNL-RUZDIDTESA-N	-1	3	367.448	4.994	50	10		FJCAHM
CCOc1ccc(N[C@@H](c2ccccn2)c2ccc3cccnc3c2[O-])cc1	ZINC000000947309	571138462	/nfs/dbraw/zinc/13/84/62/571138462.db2.gz	YKIYGNLLHIJAIA-JOCHJYFZSA-N	-1	3	371.440	4.936	50	10		FJCAHM
CC(C)[C@H]1N=C(c2cccc(Br)c2)C[C@@H](c2ccccc2[O-])N1	ZINC000002500184	571148069	/nfs/dbraw/zinc/14/80/69/571148069.db2.gz	OUDKXEDFMSPPJI-HKUYNNGSSA-N	-1	3	373.294	4.661	50	10		FJCAHM
COc1cccc(C2=N[C@@H](C(C)C)N[C@H](c3cc(Cl)ccc3[O-])C2)c1	ZINC000004729690	571200881	/nfs/dbraw/zinc/20/08/81/571200881.db2.gz	VCKHPLJVEOHZIB-AZUAARDMSA-N	-1	3	358.869	4.560	50	10		FJCAHM
[O-]c1ccccc1C1=NN(c2ccccc2)[C@@H](c2ccc3c(c2)OCCO3)C1	ZINC000004746135	571230633	/nfs/dbraw/zinc/23/06/33/571230633.db2.gz	LURHSNZEJYZOCZ-HXUWFJFHSA-N	-1	3	372.424	4.519	50	10		FJCAHM
Cc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4[O-])=NN32)cc1	ZINC000006721583	571243569	/nfs/dbraw/zinc/24/35/69/571243569.db2.gz	YMWMUXZOAFBISN-NZQKXSOJSA-N	-1	3	356.425	4.943	50	10		FJCAHM