smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCC1=NN(c2cccc(C(=O)[O-])c2)C(=O)/C1=C/C=C/c1ccccc1	ZINC000036617131	211129260	/nfs/dbraw/zinc/12/92/60/211129260.db2.gz	NWZVRVFPXQRDQA-UZHIMRIFSA-N	-1	0	360.413	4.527	40	10		FJCBRM
O=C([O-])c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(Br)cc1)N2	ZINC000004131783	210511677	/nfs/dbraw/zinc/51/16/77/210511677.db2.gz	GHLCBQZUTBKNAD-DAYGRLMNSA-N	-1	0	370.246	4.974	40	10		FJCBRM
COc1cccc(-n2c(CCC(=O)[O-])ccc2-c2ccc(Cl)cc2)c1	ZINC000408948592	570702416	/nfs/dbraw/zinc/70/24/16/570702416.db2.gz	POZKPRFHZGGEBI-UHFFFAOYSA-N	-1	0	355.821	4.824	40	10		FJCBRM
O=C([O-])c1ccc([C@@H]2Nc3ccc(Br)cc3[C@@H]3C=CC[C@@H]32)cc1	ZINC000004172142	570772720	/nfs/dbraw/zinc/77/27/20/570772720.db2.gz	OBPDCWYINFBKTO-VKJFTORMSA-N	-1	0	370.246	4.974	40	10		FJCBRM
O=C([O-])c1ccc([C@@H]2Nc3c(Cl)ccc([N+](=O)[O-])c3[C@H]3C=CC[C@H]32)cc1	ZINC000004980121	570774932	/nfs/dbraw/zinc/77/49/32/570774932.db2.gz	GZYRFVLGNMMIEK-AHIWAGSCSA-N	-1	0	370.792	4.773	40	10		FJCBRM
CC(=Cc1ccc(N[N+](=O)c2ccc(C=C(C)C(=O)[O-])cc2)cc1)C(=O)[O-]	ZINC000013407874	570777604	/nfs/dbraw/zinc/77/76/04/570777604.db2.gz	RJTGTIAFUNVMMN-MFDJBEJFSA-N	-1	0	366.373	4.588	40	10		FJCBRM
O=C([O-])c1ccccc1N[C@H](c1ccccc1)c1ccc2cccnc2c1O	ZINC000003055327	204076460	/nfs/dbraw/zinc/07/64/60/204076460.db2.gz	NISNWVZYKYOKOX-HXUWFJFHSA-N	-1	0	370.408	4.840	40	10	in-vitro	FJCBRM
O=C([O-])c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(Br)c1)N2	ZINC000003999510	204117088	/nfs/dbraw/zinc/11/70/88/204117088.db2.gz	XPWBIFYCUFEFIV-HDMKZQKVSA-N	-1	0	370.246	4.974	40	10		FJCBRM
Cc1ccc(NN=C2C=C(S(=O)(=O)[O-])c3ccccc3C2=O)c(C)c1	ZINC000004804153	204164092	/nfs/dbraw/zinc/16/40/92/204164092.db2.gz	MEOMZKXAWZYXEX-FMQUCBEESA-N	-1	0	356.403	4.824	40	10		FJCBRM
Cc1cc(C)c(S(=O)(=O)[N-]c2nc(-c3ccccc3)cs2)c(C)c1	ZINC000005260104	206191006	/nfs/dbraw/zinc/19/10/06/206191006.db2.gz	ZMGKIUVVLSOKQN-UHFFFAOYSA-N	-1	0	358.488	4.536	40	10		FJCBRM
COc1ccc([C@@H]2Nc3c(C)c(C(=O)[O-])ccc3[C@@H]3C=CC[C@@H]32)c(OC)c1	ZINC000408862200	263503376	/nfs/dbraw/zinc/50/33/76/263503376.db2.gz	DLEZWVFVUWPGII-VWKPWSFCSA-N	-1	0	365.429	4.537	40	10		FJCBRM
O=C([O-])c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(Br)cc1)N2	ZINC000004131790	570578187	/nfs/dbraw/zinc/57/81/87/570578187.db2.gz	GHLCBQZUTBKNAD-MPGHIAIKSA-N	-1	0	370.246	4.974	40	10		FJCBRM
COc1cccc([C@@H]2Nc3c(C)ccc(C(=O)[O-])c3[C@@H]3C=CC[C@@H]32)c1OC	ZINC000409167099	570734677	/nfs/dbraw/zinc/73/46/77/570734677.db2.gz	HJWGXJKGVBZCRF-LAPQFRIASA-N	-1	0	365.429	4.537	40	10		FJCBRM
Cc1cccc(OCCn2c(CCC(=O)[O-])ccc2-c2ccccc2)c1C	ZINC000409371423	570754061	/nfs/dbraw/zinc/75/40/61/570754061.db2.gz	WJZBXKPGNGMVBV-UHFFFAOYSA-N	-1	0	363.457	4.868	40	10		FJCBRM
O=C([O-])c1cccc2c1N[C@@H](c1ccc(Br)cc1)[C@@H]1CC=C[C@H]21	ZINC000004714149	570908144	/nfs/dbraw/zinc/90/81/44/570908144.db2.gz	CUIOJCKYAHLGCJ-VBQJREDUSA-N	-1	0	370.246	4.974	40	10		FJCBRM
O=S(=O)([O-])c1ccc(N=Nc2ccc(NCc3ccccc3)cc2)cc1	ZINC000013486960	571303597	/nfs/dbraw/zinc/30/35/97/571303597.db2.gz	RCJKNYGVAFFIEC-UHFFFAOYSA-N	-1	0	367.430	4.961	40	10		FJCBRM
O=c1c2ccc([O-])c(O)c2oc(C(F)(F)F)c1-c1ccc(Cl)cc1	ZINC000004832287	206180769	/nfs/dbraw/zinc/18/07/69/206180769.db2.gz	UIYMWPJZXGOSCE-UHFFFAOYSA-N	-1	0	356.683	4.543	40	10		FJCBRM
O=C([O-])c1ccc(C=C2SC(Nc3ccc4ccccc4c3)=NC2=O)cc1	ZINC000035397591	211634495	/nfs/dbraw/zinc/63/44/95/211634495.db2.gz	VCUADTZLZVIBJJ-WQRHYEAKSA-N	-1	0	374.421	4.620	40	10		FJCBRM
O=C([O-])c1cccc2c1N[C@@H](c1cccc(Br)c1)[C@H]1CC=C[C@@H]21	ZINC000100828075	222253931	/nfs/dbraw/zinc/25/39/31/222253931.db2.gz	VXYQVSHWFNVJAE-KEYYUXOJSA-N	-1	0	370.246	4.974	40	10		FJCBRM
O=C([O-])c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccc(Br)cc1)N2	ZINC000004131787	570578149	/nfs/dbraw/zinc/57/81/49/570578149.db2.gz	GHLCBQZUTBKNAD-RLFYNMQTSA-N	-1	0	370.246	4.974	40	10		FJCBRM
COc1ccc([C@@H]2Nc3c(C)c(C(=O)[O-])ccc3[C@@H]3C=CC[C@@H]32)cc1OC	ZINC000408827305	570690445	/nfs/dbraw/zinc/69/04/45/570690445.db2.gz	JAZUOHNISNOWEU-XFQAVAEZSA-N	-1	0	365.429	4.537	40	10		FJCBRM
CCOc1ccccc1-n1c(CCC(=O)[O-])ccc1-c1ccc(F)cc1	ZINC000408944187	570701491	/nfs/dbraw/zinc/70/14/91/570701491.db2.gz	IRTUKQUNGHNVJK-UHFFFAOYSA-N	-1	0	353.393	4.699	40	10		FJCBRM
O=C([O-])c1ccccc1[C@@H]1Nc2c(Cl)ccc([N+](=O)[O-])c2[C@@H]2C=CC[C@@H]21	ZINC000409160703	570733326	/nfs/dbraw/zinc/73/33/26/570733326.db2.gz	YXWABZURTSKWJE-VGTOOOLASA-N	-1	0	370.792	4.773	40	10		FJCBRM
Cc1[n-]n(-c2ccccc2)c(=O)c1C(=Nc1ccccc1)c1ccccc1	ZINC000102569941	570833635	/nfs/dbraw/zinc/83/36/35/570833635.db2.gz	OFRORPCBQQSJPG-DQRAZIAOSA-N	-1	0	353.425	4.933	40	10		FJCBRM
Cc1cc(C)cc(NN=C2C(=O)C=Cc3cc(S(=O)(=O)[O-])ccc32)c1	ZINC000299888738	571110024	/nfs/dbraw/zinc/11/00/24/571110024.db2.gz	VQQWLGXUKLPWJQ-UHFFFAOYSA-N	-1	0	356.403	4.824	40	10		FJCBRM
O=c1oc2ccccc2c(-c2cc(O)cc(O)c2)c1-c1ccccc1[S-]	ZINC000071404984	571117975	/nfs/dbraw/zinc/11/79/75/571117975.db2.gz	LUEFMZXJTSSLAZ-UHFFFAOYSA-N	-1	0	362.406	4.584	40	10		FJCBRM
O=C([O-])/C(=C\c1ccc(N2CCCC2)cc1)Sc1nc2ccccc2o1	ZINC000007365555	571309699	/nfs/dbraw/zinc/30/96/99/571309699.db2.gz	XYDUQYLQNZDLFR-QGOAFFKASA-N	-1	0	366.442	4.646	40	10		FJCBRM
Cc1nc(Nc2ccc(Cl)cc2C(=O)c2ccccc2)sc1C(=O)[O-]	ZINC000020156581	211270464	/nfs/dbraw/zinc/27/04/64/211270464.db2.gz	OLMLPQWRHIERKT-UHFFFAOYSA-N	-1	0	372.833	4.778	40	10		FJCBRM
Cc1ccc(NN=C2C=Cc3c(cccc3S(=O)(=O)[O-])C2=O)c(C)c1	ZINC000004804151	570607010	/nfs/dbraw/zinc/60/70/10/570607010.db2.gz	GQJZOZKEZADGNL-FMQUCBEESA-N	-1	0	356.403	4.824	40	10		FJCBRM
CCCCC(=O)N[C@@H](c1ccco1)c1cc(Cl)c2cccnc2c1O	ZINC000002488161	570651892	/nfs/dbraw/zinc/65/18/92/570651892.db2.gz	SVSGMAXSFDIDCX-QGZVFWFLSA-N	-1	0	358.825	4.583	40	10		FJCBRM
O=C([O-])c1cccc2c1N[C@@H](c1ccccc1Br)[C@H]1CC=C[C@H]21	ZINC000003999516	570663421	/nfs/dbraw/zinc/66/34/21/570663421.db2.gz	GHNIMUHUJRZICV-NVGCLXPQSA-N	-1	0	370.246	4.974	40	10		FJCBRM
CCOc1ccc(-n2c(CCC(=O)[O-])ccc2-c2ccc(F)cc2)cc1	ZINC000408948224	570702446	/nfs/dbraw/zinc/70/24/46/570702446.db2.gz	OZOUJFBESDKQTJ-UHFFFAOYSA-N	-1	0	353.393	4.699	40	10		FJCBRM
CC(=Nc1ncccc1C)c1c(-c2ccccc2)[n-]n(-c2ccccc2)c1=O	ZINC000103920760	570772706	/nfs/dbraw/zinc/77/27/06/570772706.db2.gz	FCZYPSYVHYVHEQ-JZJYNLBNSA-N	-1	0	368.440	4.527	40	10		FJCBRM
O=C1C=Cc2cc(S(=O)(=O)[O-])ccc2C1=NNc1ccc(Cl)cc1	ZINC000102312474	222294199	/nfs/dbraw/zinc/29/41/99/222294199.db2.gz	YHPJLZIPELSPBU-VHEBQXMUSA-N	-1	0	362.794	4.861	40	10		FJCBRM
O=C([O-])c1ccccc1[C@@H]1Nc2ccc(Br)cc2[C@@H]2C=CC[C@@H]21	ZINC000409169891	263536526	/nfs/dbraw/zinc/53/65/26/263536526.db2.gz	RRDXDMPIQUMGQG-FHSNZYRGSA-N	-1	0	370.246	4.974	40	10		FJCBRM
O=C([O-])c1ccc([C@@H]2Nc3ccc(Br)cc3[C@@H]3C=CC[C@H]32)cc1	ZINC000096006162	570472259	/nfs/dbraw/zinc/47/22/59/570472259.db2.gz	OBPDCWYINFBKTO-RKVPGOIHSA-N	-1	0	370.246	4.974	40	10		FJCBRM
O=C1C=Cc2cc(S(=O)(=O)[O-])ccc2C1=NNc1ccccc1Cl	ZINC000004804124	570607097	/nfs/dbraw/zinc/60/70/97/570607097.db2.gz	VCNCMBFHYUOYJG-VHEBQXMUSA-N	-1	0	362.794	4.861	40	10		FJCBRM
O=C([O-])c1cccc2c1N[C@@H](c1cccc(Br)c1)[C@@H]1CC=C[C@H]21	ZINC000004859483	570611242	/nfs/dbraw/zinc/61/12/42/570611242.db2.gz	VXYQVSHWFNVJAE-VBQJREDUSA-N	-1	0	370.246	4.974	40	10		FJCBRM
O=C([O-])c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cc([N+](=O)[O-])ccc1Cl)N2	ZINC000002578380	570654673	/nfs/dbraw/zinc/65/46/73/570654673.db2.gz	JYGSSKLRBHATMN-VEVIJQCQSA-N	-1	0	370.792	4.773	40	10		FJCBRM
O=C([O-])c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cc([N+](=O)[O-])ccc1Cl)N2	ZINC000005448560	570656887	/nfs/dbraw/zinc/65/68/87/570656887.db2.gz	JYGSSKLRBHATMN-VBHSOAQHSA-N	-1	0	370.792	4.773	40	10		FJCBRM
COc1cccc([C@@H]2Nc3c(Cl)cc(C(=O)[O-])cc3[C@@H]3C=CC[C@@H]32)c1	ZINC000408826761	570690464	/nfs/dbraw/zinc/69/04/64/570690464.db2.gz	CXENODCXSVUZPW-VKJFTORMSA-N	-1	0	355.821	4.873	40	10		FJCBRM
O=C([O-])c1ccccc1[C@@H]1Nc2c(Cl)cc([N+](=O)[O-])cc2[C@@H]2C=CC[C@@H]21	ZINC000409160244	570733351	/nfs/dbraw/zinc/73/33/51/570733351.db2.gz	WKVRVLSRPMWXTK-BWACUDIHSA-N	-1	0	370.792	4.773	40	10		FJCBRM
O=C([O-])c1ccccc1[C@@H]1Nc2ccc(Br)cc2[C@@H]2C=CC[C@H]21	ZINC000409169892	570734176	/nfs/dbraw/zinc/73/41/76/570734176.db2.gz	RRDXDMPIQUMGQG-SNUQEOBHSA-N	-1	0	370.246	4.974	40	10		FJCBRM
CC(=Nc1cccc(C)n1)c1c(-c2ccccc2)[n-]n(-c2ccccc2)c1=O	ZINC000103920307	570772724	/nfs/dbraw/zinc/77/27/24/570772724.db2.gz	BIBMUZWTTDCZEU-FXBPSFAMSA-N	-1	0	368.440	4.527	40	10		FJCBRM
O=C([O-])c1ccc([C@@H]2Nc3c(Cl)cc([N+](=O)[O-])cc3[C@@H]3C=CC[C@H]32)cc1	ZINC000247322544	571290700	/nfs/dbraw/zinc/29/07/00/571290700.db2.gz	MKZHARQQNCHRIK-CPUCHLNUSA-N	-1	0	370.792	4.773	40	10		FJCBRM
O=C([O-])c1ccccc1N[C@@H](c1ccccc1)c1ccc2cccnc2c1O	ZINC000001587767	204013321	/nfs/dbraw/zinc/01/33/21/204013321.db2.gz	NISNWVZYKYOKOX-FQEVSTJZSA-N	-1	0	370.408	4.840	40	10	in-vitro	FJCBRM
O=C([O-])c1ccccc1NC1=NC(=O)C(=Cc2cccc3ccccc23)S1	ZINC000005520327	204213175	/nfs/dbraw/zinc/21/31/75/204213175.db2.gz	DWIRHJPQWHRMEG-PDGQHHTCSA-N	-1	0	374.421	4.620	40	10		FJCBRM
CCCC1=NN(c2ccc(C(=O)[O-])cc2)C(=O)/C1=C/C=C/c1ccccc1	ZINC000036617184	204609706	/nfs/dbraw/zinc/60/97/06/204609706.db2.gz	OYRDAUHYEXPSOJ-ABILJCPISA-N	-1	0	360.413	4.527	40	10		FJCBRM
Cc1[n-]n(-c2ccc(C)c(Cl)c2)c(=O)c1C=Nc1ccc(F)cc1F	ZINC000408527810	570506868	/nfs/dbraw/zinc/50/68/68/570506868.db2.gz	GMSZGEJYFXGNIA-ZROIWOOFSA-N	-1	0	361.779	4.645	40	10		FJCBRM
COc1ccc(N=NC(C(=O)c2ccccc2)=C([O-])c2ccccc2)cc1	ZINC000104290113	570521272	/nfs/dbraw/zinc/52/12/72/570521272.db2.gz	WVAAOZMKRUBFAQ-VHXPQNKSSA-N	-1	0	358.397	4.913	40	10		FJCBRM
O=C([O-])c1ccccc1[C@@H]1Nc2c(Cl)cc([N+](=O)[O-])cc2[C@H]2C=CC[C@@H]21	ZINC000409160246	570733281	/nfs/dbraw/zinc/73/32/81/570733281.db2.gz	WKVRVLSRPMWXTK-NVGCLXPQSA-N	-1	0	370.792	4.773	40	10		FJCBRM
Cc1cc([N+](=O)[O-])c2c(c1C)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1C(=O)[O-])N2	ZINC000409164086	570734684	/nfs/dbraw/zinc/73/46/84/570734684.db2.gz	CHNYPWAEPXXDKP-LPMFXHHGSA-N	-1	0	364.401	4.736	40	10		FJCBRM
Cc1cccc(OCCn2c(CCC(=O)[O-])ccc2-c2cccs2)c1C	ZINC000409378849	570755540	/nfs/dbraw/zinc/75/55/40/570755540.db2.gz	SJMNOHPGRHJOQG-UHFFFAOYSA-N	-1	0	369.486	4.930	40	10		FJCBRM
O=C([O-])c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cccc(Br)c1)N2	ZINC000003999513	571071922	/nfs/dbraw/zinc/07/19/22/571071922.db2.gz	XPWBIFYCUFEFIV-MPGHIAIKSA-N	-1	0	370.246	4.974	40	10		FJCBRM
O=C([O-])c1ccc([C@@H]2Nc3c(Cl)cc([N+](=O)[O-])cc3[C@@H]3C=CC[C@@H]32)cc1	ZINC000247322557	571290691	/nfs/dbraw/zinc/29/06/91/571290691.db2.gz	MKZHARQQNCHRIK-KEYYUXOJSA-N	-1	0	370.792	4.773	40	10		FJCBRM
Cc1ccc(NN=C2C(=O)C=Cc3cc(S(=O)(=O)[O-])ccc32)c(C)c1	ZINC000004804154	204163898	/nfs/dbraw/zinc/16/38/98/204163898.db2.gz	LECLGLNXZIZWEF-FMQUCBEESA-N	-1	0	356.403	4.824	40	10		FJCBRM
O=C1[N-]C(=O)N(c2ccccc2)C(=O)C1=Cc1ccc(Cl)c(Cl)c1	ZINC000001201084	132381069	/nfs/dbraw/zinc/38/10/69/132381069.db2.gz	XDITWUFHWLJCQZ-XYOKQWHBSA-N	-1	0	361.184	4.500	40	10		FJCBRM
CC(=Cc1ccc(N[N+](=O)c2ccc(C=C(C)C(=O)[O-])cc2)cc1)C(=O)[O-]	ZINC000100355740	222241621	/nfs/dbraw/zinc/24/16/21/222241621.db2.gz	RJTGTIAFUNVMMN-IIPOXOAKSA-N	-1	0	366.373	4.588	40	10		FJCBRM
Cc1ccc(NN=C2C=C(S(=O)(=O)[O-])c3ccccc3C2=O)c(C)c1	ZINC000104366804	222355027	/nfs/dbraw/zinc/35/50/27/222355027.db2.gz	MEOMZKXAWZYXEX-VXPUYCOJSA-N	-1	0	356.403	4.824	40	10		FJCBRM
O=C([O-])c1ccccc1[C@@H]1Nc2c(Cl)cc([N+](=O)[O-])cc2[C@H]2C=CC[C@H]21	ZINC000409160249	570733275	/nfs/dbraw/zinc/73/32/75/570733275.db2.gz	WKVRVLSRPMWXTK-XWCIJXRUSA-N	-1	0	370.792	4.773	40	10		FJCBRM
CCN1C(=O)/C(=C\c2c(Cl)cc(Cl)c([O-])c2Cl)SC1=S	ZINC000113830630	570825700	/nfs/dbraw/zinc/82/57/00/570825700.db2.gz	QHYSJJWAXJFEEG-FPYGCLRLSA-N	-1	0	368.694	4.574	40	10		FJCBRM
O=C([O-])c1ccc(C=C2SC(Nc3cccc4ccccc43)=NC2=O)cc1	ZINC000035397589	571076429	/nfs/dbraw/zinc/07/64/29/571076429.db2.gz	LBDLPKCQEWJQPV-PDGQHHTCSA-N	-1	0	374.421	4.620	40	10		FJCBRM
Cc1cc([N+](=O)[O-])c2c(c1C)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(C(=O)[O-])cc1)N2	ZINC000058928967	571086930	/nfs/dbraw/zinc/08/69/30/571086930.db2.gz	CHHLXWQFMBTNCS-JTDSTZFVSA-N	-1	0	364.401	4.736	40	10		FJCBRM
O=C([O-])c1cccc2c1N[C@@H](c1cccc(Br)c1)[C@H]1CC=C[C@H]21	ZINC000004859485	204170910	/nfs/dbraw/zinc/17/09/10/204170910.db2.gz	VXYQVSHWFNVJAE-ZQIUZPCESA-N	-1	0	370.246	4.974	40	10		FJCBRM
O=C([O-])c1ccc(N[C@@H](c2ccccc2)c2ccc3cccnc3c2O)cc1	ZINC000008579402	204334754	/nfs/dbraw/zinc/33/47/54/204334754.db2.gz	PSCFZETTYRDCRM-FQEVSTJZSA-N	-1	0	370.408	4.840	40	10	in-vitro	FJCBRM
O=C([O-])c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cc([N+](=O)[O-])ccc1Cl)N2	ZINC000004959425	206183437	/nfs/dbraw/zinc/18/34/37/206183437.db2.gz	JYGSSKLRBHATMN-SNUQEOBHSA-N	-1	0	370.792	4.773	40	10		FJCBRM
O=C([O-])c1ccccc1[C@@H]1Nc2c(Cl)cc([N+](=O)[O-])cc2[C@@H]2C=CC[C@H]21	ZINC000409160247	570733308	/nfs/dbraw/zinc/73/33/08/570733308.db2.gz	WKVRVLSRPMWXTK-PSTGCABASA-N	-1	0	370.792	4.773	40	10		FJCBRM
O=C([O-])c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc3c(c1)OCO3)N2	ZINC000006926777	570785580	/nfs/dbraw/zinc/78/55/80/570785580.db2.gz	YHGZJYFPCHEVKE-VBHSOAQHSA-N	-1	0	369.804	4.593	40	10		FJCBRM
COc1ccc([C@@H]2Nc3c(Cl)cc(C(=O)[O-])cc3[C@H]3C=CC[C@H]32)cc1	ZINC000032121220	571057348	/nfs/dbraw/zinc/05/73/48/571057348.db2.gz	DAALNLHYXJTXDP-DAYGRLMNSA-N	-1	0	355.821	4.873	40	10		FJCBRM
Cc1ccnc(N[C@H](c2ccc(F)cc2)c2ccc3cccnc3c2O)c1	ZINC000001463224	571198020	/nfs/dbraw/zinc/19/80/20/571198020.db2.gz	DNFFYAHWCDVOJP-HXUWFJFHSA-N	-1	0	359.404	4.984	40	10		FJCBRM
O=C([O-])c1cc(Cl)c2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc3c(c1)OCO3)N2	ZINC000032121340	208026139	/nfs/dbraw/zinc/02/61/39/208026139.db2.gz	YHGZJYFPCHEVKE-JCGVRSQUSA-N	-1	0	369.804	4.593	40	10		FJCBRM
CCOc1ccccc1-n1c(CCC(=O)[O-])ccc1-c1ccc(OC)cc1	ZINC000033719815	263397385	/nfs/dbraw/zinc/39/73/85/263397385.db2.gz	GBZWOMQQZJEDES-UHFFFAOYSA-N	-1	0	365.429	4.569	40	10		FJCBRM
O=C([O-])CCc1ccc(-c2ccccc2)n1CCOc1ccc(Cl)cc1	ZINC000409377765	263553442	/nfs/dbraw/zinc/55/34/42/263553442.db2.gz	KNIKDDPLOLFUCI-UHFFFAOYSA-N	-1	0	369.848	4.905	40	10		FJCBRM
O=C([O-])c1ccccc1[C@@H]1Nc2c(Br)cccc2[C@@H]2C=CC[C@H]21	ZINC000409151694	570732512	/nfs/dbraw/zinc/73/25/12/570732512.db2.gz	HTBBRTZJVUAYCG-PSTGCABASA-N	-1	0	370.246	4.974	40	10		FJCBRM
O=C([O-])c1ccccc1[C@@H]1Nc2c(Cl)ccc([N+](=O)[O-])c2[C@@H]2C=CC[C@H]21	ZINC000409160699	570733338	/nfs/dbraw/zinc/73/33/38/570733338.db2.gz	YXWABZURTSKWJE-CZIZLABSSA-N	-1	0	370.792	4.773	40	10		FJCBRM
COc1ccc(Cl)c2c1N[C@H](c1ccccc1C(=O)[O-])[C@@H]1CC=C[C@@H]21	ZINC000409163772	570734229	/nfs/dbraw/zinc/73/42/29/570734229.db2.gz	XQRVQMVKPHOHRY-FMTVUPSXSA-N	-1	0	355.821	4.873	40	10		FJCBRM
Cc1[n-]n(-c2nc(-c3ccccc3)cs2)c(=O)c1N=Nc1ccccc1	ZINC000100517521	570762000	/nfs/dbraw/zinc/76/20/00/570762000.db2.gz	ZYUVFIVPSIFNJP-SIUCFOQUSA-N	-1	0	361.430	4.685	40	10		FJCBRM
O=C([O-])c1ccc([C@H]2Nc3c(Cl)ccc([N+](=O)[O-])c3[C@H]3C=CC[C@@H]32)cc1	ZINC000004980122	570774898	/nfs/dbraw/zinc/77/48/98/570774898.db2.gz	GZYRFVLGNMMIEK-GDZNZVCISA-N	-1	0	370.792	4.773	40	10		FJCBRM
COc1ccc([C@@H]2Nc3c(Cl)cc(C(=O)[O-])cc3[C@@H]3C=CC[C@@H]32)cc1	ZINC000006845855	570787018	/nfs/dbraw/zinc/78/70/18/570787018.db2.gz	DAALNLHYXJTXDP-VKJFTORMSA-N	-1	0	355.821	4.873	40	10		FJCBRM
O=C([O-])c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1cccc(Br)c1)N2	ZINC000003999512	206998544	/nfs/dbraw/zinc/99/85/44/206998544.db2.gz	XPWBIFYCUFEFIV-RLFYNMQTSA-N	-1	0	370.246	4.974	40	10		FJCBRM
O=C([O-])c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc3c(c1)OCO3)N2	ZINC000096006228	209094576	/nfs/dbraw/zinc/09/45/76/209094576.db2.gz	YHGZJYFPCHEVKE-VFVRVIDISA-N	-1	0	369.804	4.593	40	10		FJCBRM
Cc1[n-]n(-c2nc(-c3ccccc3)cs2)c(=O)c1N=Nc1ccccc1	ZINC000100517519	222246810	/nfs/dbraw/zinc/24/68/10/222246810.db2.gz	ZYUVFIVPSIFNJP-BFQBXFRASA-N	-1	0	361.430	4.685	40	10		FJCBRM
COc1ccc(-n2c(CCC(=O)[O-])ccc2-c2ccc(Cl)cc2)cc1	ZINC000408953181	263510015	/nfs/dbraw/zinc/51/00/15/263510015.db2.gz	WYGRPBYWPFZUIB-UHFFFAOYSA-N	-1	0	355.821	4.824	40	10		FJCBRM
O=C([O-])c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2	ZINC000408865108	570693902	/nfs/dbraw/zinc/69/39/02/570693902.db2.gz	BOMJSCOBNLFVCB-KEYYUXOJSA-N	-1	0	370.792	4.773	40	10		FJCBRM
O=C([O-])c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc([N+](=O)[O-])c1)N2	ZINC000408876169	570694623	/nfs/dbraw/zinc/69/46/23/570694623.db2.gz	NHCYBQOVSNMGPX-KEYYUXOJSA-N	-1	0	370.792	4.773	40	10		FJCBRM
COc1ccc(-n2c(CCC(=O)[O-])ccc2-c2ccc(F)cc2)cc1Cl	ZINC000408948695	570702442	/nfs/dbraw/zinc/70/24/42/570702442.db2.gz	PUTSHSHLBINPKF-UHFFFAOYSA-N	-1	0	373.811	4.963	40	10		FJCBRM
CC(C)CN1C(=O)/C(=C/c2cc(Cl)c([O-])c(Cl)c2)SC1=S	ZINC000409037844	570715168	/nfs/dbraw/zinc/71/51/68/570715168.db2.gz	NYGYMTMSUBMUOJ-WZUFQYTHSA-N	-1	0	362.303	4.556	40	10		FJCBRM
CC(C)CN1C(=O)/C(=C/c2cc(Cl)cc(Cl)c2[O-])SC1=S	ZINC000409038331	570715185	/nfs/dbraw/zinc/71/51/85/570715185.db2.gz	FHJBTRHCLKXVAG-WCIBSUBMSA-N	-1	0	362.303	4.556	40	10		FJCBRM
O=C([O-])c1ccc([C@@H]2Nc3c(Cl)ccc([N+](=O)[O-])c3[C@H]3C=CC[C@@H]32)cc1	ZINC000004980123	570774893	/nfs/dbraw/zinc/77/48/93/570774893.db2.gz	GZYRFVLGNMMIEK-DCGLDWPTSA-N	-1	0	370.792	4.773	40	10		FJCBRM
Cc1ccc(S(=O)(=O)[N-]c2nc(-c3ccc(Cl)cc3)cs2)cc1	ZINC000013776369	570791079	/nfs/dbraw/zinc/79/10/79/570791079.db2.gz	NHZJRACGGVBOLR-UHFFFAOYSA-N	-1	0	364.879	4.573	40	10		FJCBRM
CCN(CC)c1ccc(/C=C(\Sc2nc3ccccc3o2)C(=O)[O-])cc1	ZINC000213606148	571310085	/nfs/dbraw/zinc/31/00/85/571310085.db2.gz	BSVSEZSKICWZSH-AQTBWJFISA-N	-1	0	368.458	4.892	40	10		FJCBRM
O=C([O-])c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Br)cc1)N2	ZINC000004131781	219546312	/nfs/dbraw/zinc/54/63/12/219546312.db2.gz	GHLCBQZUTBKNAD-HDMKZQKVSA-N	-1	0	370.246	4.974	40	10		FJCBRM
O=C([O-])c1cccc2c1N[C@@H](c1cccc(Br)c1)[C@@H]1CC=C[C@@H]21	ZINC000169313243	209517763	/nfs/dbraw/zinc/51/77/63/209517763.db2.gz	VXYQVSHWFNVJAE-CPUCHLNUSA-N	-1	0	370.246	4.974	40	10		FJCBRM
O=C1C=Cc2cc(S(=O)(=O)[O-])ccc2C1=NNc1ccccc1Cl	ZINC000104366654	209260540	/nfs/dbraw/zinc/26/05/40/209260540.db2.gz	VCNCMBFHYUOYJG-HNENSFHCSA-N	-1	0	362.794	4.861	40	10		FJCBRM
Cc1ccc(NN=C2C=Cc3c(cccc3S(=O)(=O)[O-])C2=O)c(C)c1	ZINC000104366792	222355947	/nfs/dbraw/zinc/35/59/47/222355947.db2.gz	GQJZOZKEZADGNL-VXPUYCOJSA-N	-1	0	356.403	4.824	40	10		FJCBRM
Cc1ccc(NN=C2C(=O)C=Cc3cc(S(=O)(=O)[O-])ccc32)c(C)c1	ZINC000104366812	222356142	/nfs/dbraw/zinc/35/61/42/222356142.db2.gz	LECLGLNXZIZWEF-VXPUYCOJSA-N	-1	0	356.403	4.824	40	10		FJCBRM
Cc1ccc(-c2ccc(CCC(=O)[O-])n2CCOc2cccc(C)c2)cc1	ZINC000409378797	263553794	/nfs/dbraw/zinc/55/37/94/263553794.db2.gz	SCBZCUBFCSJGMK-UHFFFAOYSA-N	-1	0	363.457	4.868	40	10		FJCBRM
O=C([O-])c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1[N+](=O)[O-])N2	ZINC000408857644	570692945	/nfs/dbraw/zinc/69/29/45/570692945.db2.gz	LKXQFUJYELPRCY-BWACUDIHSA-N	-1	0	370.792	4.773	40	10		FJCBRM
O=C([O-])c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2	ZINC000409174833	570735568	/nfs/dbraw/zinc/73/55/68/570735568.db2.gz	PHLXDDUDPABGMT-VBHSOAQHSA-N	-1	0	370.792	4.773	40	10		FJCBRM
COc1ccc(-n2c(CCC(=O)[O-])ccc2-c2ccccc2)cc1Cl	ZINC000000678185	570761307	/nfs/dbraw/zinc/76/13/07/570761307.db2.gz	HDVKGLSGYRJSCJ-UHFFFAOYSA-N	-1	0	355.821	4.824	40	10		FJCBRM
Cc1ccc(-c2ccc(Br)cc2)n1-c1cccc(C(=O)[O-])c1	ZINC000003610915	570770972	/nfs/dbraw/zinc/77/09/72/570770972.db2.gz	XMDHKGQVRBXHFE-UHFFFAOYSA-N	-1	0	356.219	4.913	40	10		FJCBRM
O=C([O-])c1ccc([C@H]2Nc3c(Cl)ccc([N+](=O)[O-])c3[C@H]3C=CC[C@H]32)cc1	ZINC000004980120	570775104	/nfs/dbraw/zinc/77/51/04/570775104.db2.gz	GZYRFVLGNMMIEK-OGHNNQOOSA-N	-1	0	370.792	4.773	40	10		FJCBRM
CCCc1[n-]n(-c2ccccc2)c(=O)c1C(C)=Nc1ccccc1OCC	ZINC000112116894	570810400	/nfs/dbraw/zinc/81/04/00/570810400.db2.gz	CKCMQJRIGOTMGM-PGMHBOJBSA-N	-1	0	363.461	4.974	40	10		FJCBRM
O=S(=O)([N-]c1nc(-c2cccc3ccccc32)cs1)c1ccccc1	ZINC000058704801	571086444	/nfs/dbraw/zinc/08/64/44/571086444.db2.gz	UJSOPSFFWLSTKV-UHFFFAOYSA-N	-1	0	366.467	4.764	40	10		FJCBRM
O=C([O-])c1cccc2c1N[C@@H](c1ccccc1Br)[C@@H]1CC=C[C@H]21	ZINC000002134446	209394351	/nfs/dbraw/zinc/39/43/51/209394351.db2.gz	GHNIMUHUJRZICV-XWCIJXRUSA-N	-1	0	370.246	4.974	40	10		FJCBRM
CCCCOC(=O)c1ccc(NN=C2C=C(C)C(=O)C(C(=O)[O-])=C2)cc1	ZINC000070462719	206677052	/nfs/dbraw/zinc/67/70/52/206677052.db2.gz	UJGBKLPFHPJBNU-QZQOTICOSA-N	-1	0	356.378	4.771	40	10		FJCBRM
COc1ccc([C@H]2Nc3c(Cl)ccc(C(=O)[O-])c3[C@@H]3C=CC[C@@H]32)cc1	ZINC000043769620	208306290	/nfs/dbraw/zinc/30/62/90/208306290.db2.gz	UDYHMAFBLLUKCT-QWQRMKEZSA-N	-1	0	355.821	4.873	40	10		FJCBRM
CCCCOC(=O)c1cccc(NN=C2C=C(C)C(=O)C(C(=O)[O-])=C2)c1	ZINC000070462725	221332194	/nfs/dbraw/zinc/33/21/94/221332194.db2.gz	VSNXHVIGUAFKAI-QZQOTICOSA-N	-1	0	356.378	4.771	40	10		FJCBRM
O=C([O-])c1ccc(N[C@H](c2ccccc2)c2ccc3cccnc3c2O)cc1	ZINC000001587766	560182724	/nfs/dbraw/zinc/18/27/24/560182724.db2.gz	PSCFZETTYRDCRM-HXUWFJFHSA-N	-1	0	370.408	4.840	40	10	in-vitro	FJCBRM
O=C([O-])c1ccc([C@H]2Nc3c(Cl)ccc([N+](=O)[O-])c3[C@@H]3C=CC[C@@H]32)cc1	ZINC000000813137	570457819	/nfs/dbraw/zinc/45/78/19/570457819.db2.gz	GZYRFVLGNMMIEK-IIYDPXPESA-N	-1	0	370.792	4.773	40	10		FJCBRM
Cc1cc([N+](=O)[O-])c2c(c1C)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(C(=O)[O-])cc1)N2	ZINC000409155161	570733769	/nfs/dbraw/zinc/73/37/69/570733769.db2.gz	CHHLXWQFMBTNCS-GPMSIDNRSA-N	-1	0	364.401	4.736	40	10		FJCBRM
O=C([O-])c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2	ZINC000409174830	570735541	/nfs/dbraw/zinc/73/55/41/570735541.db2.gz	PHLXDDUDPABGMT-FHSNZYRGSA-N	-1	0	370.792	4.773	40	10		FJCBRM
O=C([O-])c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc([N+](=O)[O-])ccc1Cl)N2	ZINC000004959423	209429156	/nfs/dbraw/zinc/42/91/56/209429156.db2.gz	JYGSSKLRBHATMN-FHSNZYRGSA-N	-1	0	370.792	4.773	40	10		FJCBRM
O=C([O-])c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cccc(Br)c1)N2	ZINC000003999511	206997092	/nfs/dbraw/zinc/99/70/92/206997092.db2.gz	XPWBIFYCUFEFIV-DAYGRLMNSA-N	-1	0	370.246	4.974	40	10		FJCBRM
CN(C)c1ccc(/N=N\c2ccc(S(=O)(=O)[O-])cc2)c2ccccc21	ZINC000033246176	208076209	/nfs/dbraw/zinc/07/62/09/208076209.db2.gz	SBERNLZHGUBTKR-VXPUYCOJSA-N	-1	0	355.419	4.568	40	10		FJCBRM
COc1ccc([C@@H]2Nc3c(Cl)cc(C(=O)[O-])cc3[C@@H]3C=CC[C@H]32)cc1	ZINC000032121216	220656232	/nfs/dbraw/zinc/65/62/32/220656232.db2.gz	DAALNLHYXJTXDP-RKVPGOIHSA-N	-1	0	355.821	4.873	40	10		FJCBRM
O=C([O-])c1cccc2c1N[C@@H](c1ccc(Br)cc1)[C@H]1CC=C[C@@H]21	ZINC000101123364	222262388	/nfs/dbraw/zinc/26/23/88/222262388.db2.gz	CUIOJCKYAHLGCJ-KEYYUXOJSA-N	-1	0	370.246	4.974	40	10		FJCBRM
Cc1ccc(OCCn2c(CCC(=O)[O-])ccc2-c2ccc(C)cc2)cc1	ZINC000409379056	263553990	/nfs/dbraw/zinc/55/39/90/263553990.db2.gz	UVOQLPBWGOHAQE-UHFFFAOYSA-N	-1	0	363.457	4.868	40	10		FJCBRM
O=C([O-])c1ccc([C@@H]2Nc3c(Cl)cc([N+](=O)[O-])cc3[C@H]3C=CC[C@H]32)cc1	ZINC000034772764	570437759	/nfs/dbraw/zinc/43/77/59/570437759.db2.gz	MKZHARQQNCHRIK-VBQJREDUSA-N	-1	0	370.792	4.773	40	10		FJCBRM
Cc1cc(C=C2SC(=S)NC2=O)c(C)n1-c1ccc2ccccc2c1	ZINC000409002187	570711045	/nfs/dbraw/zinc/71/10/45/570711045.db2.gz	YUNYHHCENJDDJR-WQRHYEAKSA-N	-1	0	364.495	4.736	40	10		FJCBRM
CC(C)c1ccc(C=C2C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc1	ZINC000059135800	571087426	/nfs/dbraw/zinc/08/74/26/571087426.db2.gz	NRHDHRHYPNIJGL-RVDMUPIBSA-N	-1	0	368.433	4.621	40	10		FJCBRM
Cc1ccnc(N[C@@H](c2ccc(F)cc2)c2ccc3cccnc3c2O)c1	ZINC000001463223	571198111	/nfs/dbraw/zinc/19/81/11/571198111.db2.gz	DNFFYAHWCDVOJP-FQEVSTJZSA-N	-1	0	359.404	4.984	40	10		FJCBRM
O=C([O-])c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cc([N+](=O)[O-])ccc1Cl)N2	ZINC000227092488	571342718	/nfs/dbraw/zinc/34/27/18/571342718.db2.gz	JYGSSKLRBHATMN-VFVRVIDISA-N	-1	0	370.792	4.773	40	10		FJCBRM
CC1=NN(c2ccccc2)C(=O)C1=C(Nc1ccc(N)cc1)c1ccccc1	ZINC000100989607	209219967	/nfs/dbraw/zinc/21/99/67/209219967.db2.gz	WZWQWRCEGDRFFJ-DQRAZIAOSA-N	-1	0	368.440	4.515	40	10		FJCBRM
COc1ccc(N=NC(C(=O)c2ccccc2)=C([O-])c2ccccc2)cc1	ZINC000102915825	222313290	/nfs/dbraw/zinc/31/32/90/222313290.db2.gz	WVAAOZMKRUBFAQ-WCWDXBQESA-N	-1	0	358.397	4.913	40	10		FJCBRM
Cc1ccc(C2=C/C(=C\c3ccc(-c4ccc(C(=O)[O-])cc4)o3)C(=O)O2)cc1	ZINC000408743214	263495176	/nfs/dbraw/zinc/49/51/76/263495176.db2.gz	RNYYEBWOPSIZHM-LDADJPATSA-N	-1	0	372.376	4.935	40	10		FJCBRM
O=C([O-])c1ccccc1[C@@H]1Nc2c(Br)cccc2[C@@H]2C=CC[C@@H]21	ZINC000409151690	263534611	/nfs/dbraw/zinc/53/46/11/263534611.db2.gz	HTBBRTZJVUAYCG-BWACUDIHSA-N	-1	0	370.246	4.974	40	10		FJCBRM
O=C([O-])c1ccc([C@@H]2Nc3c(Cl)cc([N+](=O)[O-])cc3[C@H]3C=CC[C@@H]32)cc1	ZINC000034772766	570437666	/nfs/dbraw/zinc/43/76/66/570437666.db2.gz	MKZHARQQNCHRIK-ZQIUZPCESA-N	-1	0	370.792	4.773	40	10		FJCBRM
O=C([O-])c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cc([N+](=O)[O-])ccc1Cl)N2	ZINC000004959424	570673385	/nfs/dbraw/zinc/67/33/85/570673385.db2.gz	JYGSSKLRBHATMN-ZJNRKIDTSA-N	-1	0	370.792	4.773	40	10		FJCBRM
COc1ccc(OC)c([C@@H]2Nc3c(C)c(C(=O)[O-])ccc3[C@@H]3C=CC[C@@H]32)c1	ZINC000408830511	570690485	/nfs/dbraw/zinc/69/04/85/570690485.db2.gz	SCHDDAGWLPMVAP-VWKPWSFCSA-N	-1	0	365.429	4.537	40	10		FJCBRM
COc1ccccc1-n1c(CCC(=O)[O-])ccc1-c1ccc(Cl)cc1	ZINC000408941402	570701438	/nfs/dbraw/zinc/70/14/38/570701438.db2.gz	DOJAZVQGSZYBCB-UHFFFAOYSA-N	-1	0	355.821	4.824	40	10		FJCBRM
COc1ccc(Cl)c2c1N[C@H](c1ccccc1C(=O)[O-])[C@H]1CC=C[C@@H]21	ZINC000409163773	570734205	/nfs/dbraw/zinc/73/42/05/570734205.db2.gz	XQRVQMVKPHOHRY-SOZUMNATSA-N	-1	0	355.821	4.873	40	10		FJCBRM
O=C([O-])c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2	ZINC000409174834	570735490	/nfs/dbraw/zinc/73/54/90/570735490.db2.gz	PHLXDDUDPABGMT-VFVRVIDISA-N	-1	0	370.792	4.773	40	10		FJCBRM
O=C([O-])c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2	ZINC000409174831	570735539	/nfs/dbraw/zinc/73/55/39/570735539.db2.gz	PHLXDDUDPABGMT-SNUQEOBHSA-N	-1	0	370.792	4.773	40	10		FJCBRM
Cc1ccccc1OCCn1c(CCC(=O)[O-])ccc1-c1cccs1	ZINC000409376649	570754954	/nfs/dbraw/zinc/75/49/54/570754954.db2.gz	CFIIXGJSKOYLCF-UHFFFAOYSA-N	-1	0	355.459	4.621	40	10		FJCBRM
Cc1cc(C=C2NC(=O)[N-]C2=O)c(C)n1-c1ccc(-c2ccccc2)cc1	ZINC000001277489	570764052	/nfs/dbraw/zinc/76/40/52/570764052.db2.gz	FVXIXEVGQBNVLL-DEDYPNTBSA-N	-1	0	357.413	4.782	40	10		FJCBRM
O=C([O-])c1cccc2c1N[C@@H](c1ccc(Br)cc1)[C@H]1CC=C[C@H]21	ZINC000004714147	570908150	/nfs/dbraw/zinc/90/81/50/570908150.db2.gz	CUIOJCKYAHLGCJ-ZQIUZPCESA-N	-1	0	370.246	4.974	40	10		FJCBRM
Cc1ccc2nc(-c3ccc4c(c3)[C@@H]3C=CC[C@@H]3[C@H](C(=O)[O-])N4)sc2c1	ZINC000058851026	571086007	/nfs/dbraw/zinc/08/60/07/571086007.db2.gz	IBWVMXRLUCZMDR-BIENJYKASA-N	-1	0	362.454	4.810	40	10		FJCBRM
O=C([O-])c1ccc([C@@H]2Nc3c(Cl)ccc([N+](=O)[O-])c3[C@@H]3C=CC[C@H]32)cc1	ZINC000013402427	220066938	/nfs/dbraw/zinc/06/69/38/220066938.db2.gz	GZYRFVLGNMMIEK-XNJGSVPQSA-N	-1	0	370.792	4.773	40	10		FJCBRM
Cc1[n-]n(-c2nc3ccccc3s2)c(=O)c1-c1cc(C)c2ccccc2n1	ZINC000012406695	207372106	/nfs/dbraw/zinc/37/21/06/207372106.db2.gz	MHGOEPVHLIMGPJ-ZPHPHTNESA-N	-1	0	372.453	4.802	40	10		FJCBRM
Cc1cc(C)cc(NN=C2C(=O)C=Cc3cc(S(=O)(=O)[O-])ccc32)c1	ZINC000095871140	209086099	/nfs/dbraw/zinc/08/60/99/209086099.db2.gz	VQQWLGXUKLPWJQ-FMQUCBEESA-N	-1	0	356.403	4.824	40	10		FJCBRM
O=C([O-])c1cc(Br)cc2c1N[C@@H](c1ccccc1)[C@H]1CC=C[C@@H]21	ZINC000058928723	263416818	/nfs/dbraw/zinc/41/68/18/263416818.db2.gz	PUQBMJOMQNFBJQ-KEYYUXOJSA-N	-1	0	370.246	4.974	40	10		FJCBRM
COc1cccc([C@@H]2Nc3c(C)ccc(C(=O)[O-])c3[C@@H]3C=CC[C@H]32)c1OC	ZINC000409167097	263536288	/nfs/dbraw/zinc/53/62/88/263536288.db2.gz	HJWGXJKGVBZCRF-ARGWCVDVSA-N	-1	0	365.429	4.537	40	10		FJCBRM
Cc1cc(C)cc(OCCn2c(CCC(=O)[O-])ccc2-c2ccccc2)c1	ZINC000409375188	263552251	/nfs/dbraw/zinc/55/22/51/263552251.db2.gz	GWMLHVJWSXMXHG-UHFFFAOYSA-N	-1	0	363.457	4.868	40	10		FJCBRM
CCOc1cc([C@@H]2Nc3ccc(C(=O)[O-])cc3[C@@H]3C=CC[C@@H]32)ccc1OC	ZINC000408736178	570686289	/nfs/dbraw/zinc/68/62/89/570686289.db2.gz	JTDYDLBHLDWAAG-XFQAVAEZSA-N	-1	0	365.429	4.619	40	10		FJCBRM
Cc1ccc(-c2ccc(Br)cc2)n1-c1ccc(O)c(C(=O)[O-])c1	ZINC000197784800	571309980	/nfs/dbraw/zinc/30/99/80/571309980.db2.gz	ISVLWGZHCYAJID-UHFFFAOYSA-N	-1	0	372.218	4.619	40	10		FJCBRM
O=C1C=Cc2cc(S(=O)(=O)[O-])ccc2C1=NNc1ccc(Cl)cc1	ZINC000016990016	220200279	/nfs/dbraw/zinc/20/02/79/220200279.db2.gz	YHPJLZIPELSPBU-HNENSFHCSA-N	-1	0	362.794	4.861	40	10		FJCBRM
COc1ccc([C@H]2Nc3c(Cl)ccc(C(=O)[O-])c3[C@H]3C=CC[C@@H]32)cc1	ZINC000038567168	208203747	/nfs/dbraw/zinc/20/37/47/208203747.db2.gz	UDYHMAFBLLUKCT-SUNYJGFJSA-N	-1	0	355.821	4.873	40	10		FJCBRM
CCCCC(=O)N[C@H](c1ccco1)c1cc(Cl)c2cccnc2c1O	ZINC000002488163	570651865	/nfs/dbraw/zinc/65/18/65/570651865.db2.gz	SVSGMAXSFDIDCX-KRWDZBQOSA-N	-1	0	358.825	4.583	40	10		FJCBRM
O=C([O-])c1ccccc1[C@@H]1Nc2c(Cl)ccc([N+](=O)[O-])c2[C@H]2C=CC[C@H]21	ZINC000409160705	570733332	/nfs/dbraw/zinc/73/33/32/570733332.db2.gz	YXWABZURTSKWJE-WVQJBOLRSA-N	-1	0	370.792	4.773	40	10		FJCBRM
O=C([O-])c1ccccc1[C@@H]1Nc2c(Cl)ccc([N+](=O)[O-])c2[C@H]2C=CC[C@@H]21	ZINC000409160701	570733374	/nfs/dbraw/zinc/73/33/74/570733374.db2.gz	YXWABZURTSKWJE-PSVSLLHZSA-N	-1	0	370.792	4.773	40	10		FJCBRM
Cc1cc([N+](=O)[O-])c2c(c1C)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1C(=O)[O-])N2	ZINC000409164087	570734619	/nfs/dbraw/zinc/73/46/19/570734619.db2.gz	CHNYPWAEPXXDKP-TYILLQQXSA-N	-1	0	364.401	4.736	40	10		FJCBRM
Cc1cc([N+](=O)[O-])c2c(c1C)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(C(=O)[O-])cc1)N2	ZINC000006962800	570788382	/nfs/dbraw/zinc/78/83/82/570788382.db2.gz	CHHLXWQFMBTNCS-GJYPPUQNSA-N	-1	0	364.401	4.736	40	10		FJCBRM