XRKYMMUGXMWDAO-UHFFFAOYSA-N	C1COCCN1c1cc(=O)cc(o1)c1c2c(ccc1)Sc1ccccc1S2	5278396		2	NB2011_RBC;BC2013_Millipore	105.8060865;94	0;0	0	2	100%	0
HLCDNLNLQNYZTK-NRFANRHFSA-N	c1ccc(cc1)C(c1ccccc1)C(=O)N[C@H](C(Cl)(Cl)Cl)NC(=S)Nc1cc(c(cc1)F)[N+](=O)[O-]	92509771		1	NB2011_RBC	109.4193886	0	0	1	100%	0
ABBADGFSRBWENF-UHFFFAOYSA-N	CC(C)(C)c1c(c(cc(c1)C=C(C#N)C#N)Br)O	2044		2	NB2011_RBC;BC2013_Millipore	67.22136777;105	0;0	0	2	100%	0
ZGDACLBJJXLKJY-UHFFFAOYSA-N	Cc1nc2c(n1C)cc1c(c2)nc(cn1)c1cccs1	9817165		2	NB2011_RBC;BC2013_Millipore	108.0757466;123	0;0	0	2	100%	0
NAYRELMNTQSBIN-UHFFFAOYSA-M	CC[n+]1c(n(c2c1cc(cc2)c1nc2ccccc2s1)c1ccccc1)C=CN(C)c1ccccc1.[I-]	5719375		2	NB2011_RBC;BC2013_Millipore	109.5510604;99	0;0	0	2	100%	0
HOGVTUZUJGHKPL-WRNXMPKJSA-N	Cn1c2ncnc3c2c(cn3[C@@H]2[C@H]([C@@H]([C@H](O2)CO)O)O)c(n1)N	6713096		1	NB2011_RBC	102.8095458	0	0	1	100%	0
BIWGYFZAEWGBAL-UHFFFAOYSA-N	C1CN(CCC1n1c2ccccc2[nH]c1=O)Cc1ccc(cc1)c1nc2cc3c(cc2nc1c1ccccc1)nc[nH]3	-		2	NB2011_RBC;BC2013_Millipore	105.7949146;76	0;0	0	2	100%	0
SVKSJUIYYCQZEC-UHFFFAOYSA-N	CCN(CC)CCCCN1c2ccccc2Oc2c1cc(cc2)Cl.Cl	16760284		2	NB2011_RBC;BC2013_Millipore	104.2660803;81	0;0	0	2	100%	0
OLUKILHGKRVDCT-UHFFFAOYSA-N	C1c2c(c3ccccc3NC1=O)[nH]c1c2cc(cc1)[N+](=O)[O-]	5005498		2	NB2011_RBC;BC2013_Millipore	106.0854422;70	0;0	0	2	100%	0
UBLFSMURWWWWMH-UHFFFAOYSA-N	C1c2c(c3c(ccc(c3)CCC#N)NC1=O)[nH]c1c2cc(cc1)[N+](=O)[O-]	16760286		2	NB2011_RBC;BC2013_Millipore	110.2479997;103	0;0	0	2	100%	0
AYIIQABSVDIZSY-UHFFFAOYSA-N	CCCCc1c2c(ncc[nH]2)[nH]c1=C1C=CC(=O)C=C1	-		2	NB2011_RBC;BC2013_Millipore	65.31391903;34	0;1	1	1	50%	2
WVMANZPBOBRWCB-UHFFFAOYSA-N	CCCCc1c([nH]c2nccnc12)c1ccc(cc1)OC	3641059		1	NB2011_RBC	79.98455873	0	0	1	100%	0
RAMROQQYRRQPDL-OAHLLOKOSA-N	CC(C)[C@@H](CO)Nc1nc2c(c(n1)Nc1cc(cc(c1)N)Cl)ncn2C(C)C	6914609		1	NB2011_RBC	99.87828027	0	0	1	100%	0
XHBVYDAKJHETMP-UHFFFAOYSA-N	C1CCN(CC1)CCOc1ccc(cc1)c1cn2c(c(cn2)c2ccncc2)nc1	11524144		1	NB2011_RBC	64.04683907	0	0	1	100%	0
RDTDWGQDFJPTPD-UHFFFAOYSA-N	C1CC1C(=O)Nc1cccc(c1)Nc1nccc(n1)Nc1cccc(c1)C(F)(F)F	9549303		2	NB2011_RBC;BC2013_Millipore	101.0869433;71	0;0	0	2	100%	0
RWSVQCBZVPWNFM-UHFFFAOYSA-N	CC#N.c1cc(c(c(c1)F)C(=O)n1c(nc(n1)Nc1ccc(cc1)S(=O)(=O)N)N)F	16760303		2	NB2011_RBC;BC2013_Millipore	106.7466651;96	0;0	0	2	100%	0
DOEWDSDBFRHVAP-UHFFFAOYSA-N	Cc1ccc(cc1)S(=O)(=O)C=CC#N	2301		1	NB2011_RBC	101.2175644	0	0	1	100%	0
WEVYNIUIFUYDGI-UHFFFAOYSA-N	c1cc(cc(c1)C(=O)N)c1cc(ncn1)Nc1ccc(cc1)OC(F)(F)F	5311510		2	NB2011_RBC;BC2013_Millipore	105.2805469;84	0;0	0	2	100%	0
QMGUOJYZJKLOLH-UHFFFAOYSA-N	CN(C)CCCn1cc(c2ccccc12)C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12	2396		2	NB2011_RBC;BC2013_Millipore	93.56633105;43	0;1	1	1	50%	2
DQYBRTASHMYDJG-UHFFFAOYSA-N	c1ccc2c(c1)c(c[nH]2)C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12	2399		2	NB2011_RBC;BC2013_Millipore	84.70831923;103	0;0	0	2	100%	0
OPQGFIAVPSXOBO-UHFFFAOYSA-N	CC(C)n1cnc2c1nc(nc2NCc1ccccc1)NCCCO	2422		2	NB2011_RBC;BC2013_Millipore	87.47431105;101	0;0	0	2	100%	0
YAMAGACQNDAKFB-UHFFFAOYSA-N	Cn1cnc2c1cc1c(c2)c(ncn1)Nc1cc(ccc1)Br	2427		2	NB2011_RBC;BC2013_Millipore	89.35311941;108	0;0	0	2	100%	0
QJKBRWSJWQVKLY-UHFFFAOYSA-N	c1ccc2c(c1)C(=Cc1c([nH]c3ccccc13)Cl)C(=O)N2	2607		1	NB2011_RBC	90.99078367	0	0	1	100%	0
UTBSBSOBZHXMHI-GJZGRUSLSA-N	CCn1cnc2c1nc(nc2Nc1cc(ccc1)Cl)N[C@H]1CCCC[C@@H]1N	60034150		1	NB2011_RBC	90.38980152	0	0	1	100%	0
ARIOBGGRZJITQX-UHFFFAOYSA-N	c1cc(c(c(c1)F)NC(=S)n1c(nc(n1)Nc1ccc(cc1)S(=O)(=O)N)N)F	5330812		1	NB2011_RBC	85.34661007	0	0	1	100%	0
DWHVZCLBMTZRQM-UHFFFAOYSA-N	c1cc2nc3c([nH]nc3nc2cc1)N	438981		1	NB2011_RBC	82.05336616	0	0	1	100%	0
DPDZHVCKYBCJHW-UHFFFAOYSA-N	C1COc2c(O1)ccc(c2)c1c([nH]c(n1)c1ccc(cc1)C(=O)N)c1ccccn1	6419753		1	NB2011_RBC	86.0337166	0	0	1	100%	0
SVJQCVOKYJWUBC-UHFFFAOYSA-N	c1c(c(c(c(c1Br)Br)Br)Br)C=CC(=O)O	54326593		1	NB2011_RBC	88.36719718	0	0	1	100%	0
NMFKDDRQSNVETB-UHFFFAOYSA-N	c1ccc2c(c1)c1c3c(c4c5c(cc(cc5)Br)[nH]c4c1[nH]2)c(=O)[nH]c3=O	5330797		2	NB2011_RBC;BC2013_Millipore	72.89908362;99	0;0	0	2	100%	0
KFAKESMKRPNZTM-UHFFFAOYSA-N	COc1c2c(c(cc1)OC)[nH]c1ccccc1c2=S	3004085		2	NB2011_RBC;BC2013_Millipore	89.1929118;114	0;0	0	2	100%	0
HFPLHASLIOXVGS-UHFFFAOYSA-N	Cc1ccc(cc1)NC1=CC(=O)c2c(C1=O)nc(s2)C	481747		2	NB2011_RBC;BC2013_Millipore	86.63527062;105	0;0	0	2	100%	0
BGVLELSCIHASRV-UHFFFAOYSA-N	CCn1c2c(ccc(c2)OC)sc1=CC(=O)C	647991		1	NB2011_RBC	25.04726522	1	1	0	100%	1
VQNCIRRXQQTXEL-UHFFFAOYSA-N	CC(C)c1c2c(nc(nc2=O)Cc2ccc(cc2)OCCO)n([nH]1)c1c(cccc1Cl)Cl	-		1	NB2011_RBC	94.27638261	0	0	1	100%	0
WEEFNMFMNMASJY-UHFFFAOYSA-M	C[n+]1c2c(c3ccc(c(c3c1)OC)OC)ccc1cc3c(cc21)OCO3.[Cl-]	72311		2	NB2011_RBC;BC2013_Millipore	98.79987786;109	0;0	0	2	100%	0
UXGJAOIJSROTTN-UHFFFAOYSA-N	c1cc(ccc1c1nc2c([nH]1)cc(cc2)C(=O)N)Oc1ccc(cc1)Cl	9969021		2	NB2011_RBC;BC2013_Millipore	98.59148851;89	0;0	0	2	100%	0
XZEFMZCNXDQXOZ-UHFFFAOYSA-N	CC(C)n1cnc2c1nc(nc2Nc1cc(ccc1)Cl)NCCO	2856		2	NB2011_RBC;BC2013_Millipore	94.69936838;80	0;0	0	2	100%	0
YXOXHAUUTIOBDA-UHFFFAOYSA-N	CCOc1c(cc2c(c1)c(ncn2)Nc1cc(ccc1)Br)OCC	2857		2	NB2011_RBC;BC2013_Millipore	90.57295026;97	0;0	0	2	100%	0
NQVIIUBWMBHLOZ-UHFFFAOYSA-N	CC(C)n1cnc2c1nc(nc2NCc1ccc(cc1)OC)N(CCO)CCO	6918386		1	NB2011_RBC	95.19074823	0	0	1	100%	0
XHEQSRJCJTWWAH-UHFFFAOYSA-N	CCN(CC)C(=O)c1ccc(cc1)Nc1nc2c(c(n1)OCC1CCCCC1)[nH]cn2	10202471		1	NB2011_RBC	94.14795008	0	0	1	100%	0
KKTZALUTXUZPSN-UHFFFAOYSA-N	C1COCCN1c1cc(=O)c2c(o1)c1ccccc1cc2	9860529		2	NB2011_RBC;BC2013_Millipore	85.58870922;74	0;0	0	2	100%	0
YHKSBKQXCWHTQL-UHFFFAOYSA-N	CC(=O)c1c(cc(cc1)N1CCOCC1)O	9859309		2	NB2011_RBC;BC2013_Millipore	79.56330683;78	0;0	0	2	100%	0
FALILNHGILFDLC-UHFFFAOYSA-N	C1COCCN1c1cc(c(cc1)C(=O)c1ccccc1)O	16760391		2	NB2011_RBC;BC2013_Millipore	98.47893893;98	0;0	0	2	100%	0
ZCNBZFRECRPCKU-UHFFFAOYSA-N	C1CN(CCC1=C(c1ccc(cc1)F)c1ccc(cc1)F)CCn1c(=O)c2ccccc2[nH]c1=S	657356		2	NB2011_RBC;BC2013_Millipore	95.35147849;84	0;0	0	2	100%	0
UAKWLVYMKBWHMX-UHFFFAOYSA-N	CN(C)c1ccc(cc1)C=C1c2ccccc2NC1=O	3135		1	NB2011_RBC	88.45726503	0	0	1	100%	0
DNOKYISWMVFYFA-UHFFFAOYSA-N	COc1c(cc2c(c1)c(ncn2)Nc1ccc(cc1)OCc1ccccc1)OC	9843206		2	NB2011_RBC;BC2013_Millipore	86.21365299;77	0;0	0	2	100%	0
YOHYSYJDKVYCJI-UHFFFAOYSA-N	C1CC1C(=O)Nc1cccc(c1)Nc1ncnc(c1)Nc1cccc(c1)C(F)(F)F	9549299		2	NB2011_RBC;BC2013_Millipore	96.43071756;110	0;0	0	2	100%	0
DLPSDPPZXRJQOY-UHFFFAOYSA-N	CC#CC(=O)Nc1ncc2c(c1)c(ncn2)Nc1cc(c(cc1)F)Cl	11566580		2	NB2011_RBC;BC2013_Millipore	100.9590876;119	0;0	0	2	100%	0
XVECMUKVOMUNLE-UHFFFAOYSA-N	c1ccc(cc1)c1nn2ccccc2c1c1cc2c([nH]nc2nn1)N	11493598		2	NB2011_RBC;BC2013_Millipore	97.08777039;128	0;0	0	2	100%	0
RODAAYVFYDKHGT-AUWJEWJLSA-N	c1cc(cc(c1)[N+](=O)[O-])c1ccc(o1)/C=N\N/C(=N/[N+](=O)[O-])/N	5339183		1	NB2011_RBC	89.10670289	0	0	1	100%	0
PWUOOJVYZQILBG-UHFFFAOYSA-N	c1ccc2c(c1)c1c([nH]2)c2[n+](cc1)c1ccccc1C2=O.[Cl-]	73292		2	NB2011_RBC;BC2013_Millipore	90.48394477;73	0;0	0	2	100%	0
FSPQCTGGIANIJZ-UHFFFAOYSA-N	COc1c(cc(cc1)C(=O)Nc1c(c2c(s1)CCCC2)C(=O)N)OC	1048845		2	NB2011_RBC;BC2013_Millipore	82.83685553;109	0;0	0	2	100%	0
NIMIWWQLOGNYHD-UHFFFAOYSA-N	c1cc2c(cc1O)cc([nH]2)C(=O)c1cc2c([nH]1)ccc(c2)O	11601743		2	NB2011_RBC;BC2013_Millipore	34.77695851;39	1;1	2	0	100%	1
FNZTULJDGIXMJJ-UHFFFAOYSA-N	C1CCN(C1)CCOc1ccc(cc1)Nc1ncc(s1)c1ccccc1	11772958		2	NB2011_RBC;BC2013_Millipore	106.3792666;77	0;0	0	2	100%	0
MYQAUKPBNJWPIE-UHFFFAOYSA-N	O(c1c(OC)cc(Cc2c(nc(nc2)N)N)cc1)Cc1ccc(OC)cc1	11617559		2	NB2011_RBC;BC2013_Millipore	97.74600671;92	0;0	0	2	100%	0
JDSJDASOXWCHPN-UHFFFAOYSA-N	n1(c(=O)sn(c1=O)C)Cc1ccccc1	4124851		2	NB2011_RBC;BC2013_Millipore	98.96700043;77	0;0	0	2	100%	0
ZRHRPGSSSVYBRG-UHFFFAOYSA-N	c1cc(cc(c1)I)CSc1nnc(o1)c1ccncc1	6539732		2	NB2011_RBC;BC2013_Millipore	95.8543608;104	0;0	0	2	100%	0
YAEMHJKFIIIULI-UHFFFAOYSA-N	COc1ccc(cc1)CNC(=O)Nc1ncc(s1)[N+](=O)[O-]	448014		1	NB2011_RBC	90.02371524	0	0	1	100%	0
WNWSUJQVZJJGLF-UHFFFAOYSA-N	c1cc2=C(C(=C3c4c(cc(cc4)Br)NC3=O)N=c2cc1)NO	-		1	NB2011_RBC	95.93878211	0	0	1	100%	0
MENDIXKFTXYTHJ-DMDINBDXSA-N	c1c2c(ccc1)N/C(=C/1\C(=O)Nc3c1ccc(c3)Br)/C/2=N\OC(=O)C	-		1	NB2011_RBC	85.52515649	0	0	1	100%	0
ZDEJZKULWCZIHL-UHFFFAOYSA-N	c1cc2c(nc1)n(cc2C1=C(C(=O)NC1=O)c1nccnc1)CCCO	10020713		1	NB2011_RBC	91.93535647	0	0	1	100%	0
VPVLEBIVXZSOMQ-UHFFFAOYSA-N	c1(c2c(ncn1)[nH]c(c2)c1cc(ccc1)N)Oc1cc(ccc1)O	9549289		1	NB2011_RBC	93.29460918	0	0	1	100%	0
JYCUVOXSZBECAY-UHFFFAOYSA-N	Cc1cc(n[nH]1)Nc1nc(nc2ccccc12)c1ccccc1	6419766		2	NB2011_RBC;BC2013_Millipore	90.51222333;103	0;0	0	2	100%	0
VWVYILCFSYNJHF-UHFFFAOYSA-N	Cn1c2ccccc2c2c3c(c4c5ccccc5n(c4c12)CCC#N)CNC3=O	3501		2	NB2011_RBC;BC2013_Millipore	27.20662808;11	1;1	2	0	100%	1
LLJJDLHGZUOMQP-UHFFFAOYSA-N	CN(C)CCCn1cc(c2c1ccc(c2)OC)C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12	3499		2	NB2011_RBC;BC2013_Millipore	93.48827916;98	0;0	0	2	100%	0
DZQLVVLATXPWBK-UHFFFAOYSA-N	c1ccc(cc1)c1n[nH]c2c1oc1ccccc21	3385203		2	NB2011_RBC;BC2013_Millipore	99.31533797;90	0;0	0	2	100%	0
WXUJAQBSBZLVEV-UHFFFAOYSA-N	c1ccc2c(c1)c1c([nH]2)n2cncc2c2c1c(=O)[nH]c2=O	-		2	NB2011_RBC;BC2013_Millipore	33.51225491;8	1;1	2	0	100%	1
GELOGQJVGPIKAM-UHFFFAOYSA-N	c1cc2c(ccnc2)c(c1)S(=O)(=O)NCCNCC=Cc1ccc(cc1)Br.Cl.Cl	2733490		1	NB2011_RBC	55.0570147	0	0	1	100%	0
NOXXIYDYFSNHDF-UHFFFAOYSA-N	C1CNCCN(C1)S(=O)(=O)c1cccc2c1ccnc2.Cl.Cl	16219471		2	NB2011_RBC;BC2013_Millipore	86.56616885;60	0;0	0	2	100%	0
MCAHMSDENAOJFZ-SCUXEZOQSA-N	C[C@H]1C[C@@H]([C@@H]([C@H](C=C([C@H]([C@H](C=CC=C(C(=O)NC2=CC(=O)C=C([C@@H]1OC)C2=O)C)OC)OC(=O)N)C)C)OC)OC	-		1	NB2011_RBC	91.90133249	0	0	1	100%	0
JBJYTZXCZDNOJW-UHFFFAOYSA-N	COc1cc(c(c(c1)OC)C=C1c2ccccc2NC1=O)OC	3674		2	NB2011_RBC;BC2013_Millipore	85.54233564;70	0;0	0	2	100%	0
SAYGKHKXGCPTLX-UHFFFAOYSA-N	c1cc(ccc1c1cc(c(s1)NC(=O)N)C(=O)N)F	9903786		2	NB2011_RBC;BC2013_Millipore	81.19271212;63	0;0	0	2	100%	0
RKUMZEVCWKZXFV-YOCZKUTFSA-N	c1c2c(ccc1)N/C(=C/1\C(=O)Nc3c1cccc3)/C/2=N/OCC[C@H](CO)O	-		1	NB2011_RBC	32.80880588	1	1	0	100%	1
LDEWQRSYYHTQRA-UHFFFAOYSA-N	c1ccc2c(c1)c(c([nH]2)C1=c2ccccc2=NC1=O)NO	-		1	NB2011_RBC	65.59340645	0	0	1	100%	0
YBLWOZUPHDKFOT-UHFFFAOYSA-N	Cc1nc2ccccc2c(c1)NC(=O)Nc1c(ccc(c1)Cl)OC	9549305		2	NB2011_RBC;BC2013_Millipore	95.73677136;112	0;0	0	2	100%	0
QTCFYQHZJIIHBS-UHFFFAOYSA-N	C1COCCN1CCn1c2ccccc2nc1NC(=O)c1cc(ccc1)[N+](=O)[O-]	11983295		2	NB2011_RBC;BC2013_Millipore	83.56724261;126	0;0	0	2	100%	0
VNDWQCSOSCCWIP-UHFFFAOYSA-N	CC(C)(C)c1nc2c([nH]1)c1c(cc(cc1)F)c1c2cc[nH]c1=O	5494425		2	NB2011_RBC;BC2013_Millipore	67.15168249;74	0;0	0	2	100%	0
CBIAKDAYHRWZCU-UHFFFAOYSA-N	COc1c(cc2c(c1)c(ncn2)Nc1cc(c(cc1)O)Br)OC	3795		2	NB2011_RBC;BC2013_Millipore	84.76895088;65	0;0	0	2	100%	0
ACPOUJIDANTYHO-UHFFFAOYSA-N	c1ccc2c(c1)c1n[nH]c3cccc(c13)c2=O	8515		1	NB2011_RBC	35.26460305	1	1	0	100%	1
NJTUORMLOPXPBY-UHFFFAOYSA-N	CC(C)N(CCC(=O)c1cc2ccccc2cc1)Cc1ccccc1.Cl	176406		2	NB2011_RBC;BC2013_Millipore	95.55854212;81	0;0	0	2	100%	0
ODZGYELAMAOARP-UHFFFAOYSA-N	c1c2c(ccc1)c(=O)c1c3c2nn(c3ccc1)C	11665831		1	NB2011_RBC	53.110616	0	0	1	100%	0
ZUDPNBZMAJGYTE-UHFFFAOYSA-N	CS(=O)(=O)O.c1cc(cnc1)c1cc2c(cc1)NC(=O)C2=Cc1ccc[nH]1	24906278		1	NB2011_RBC	22.53583422	1	1	0	100%	1
AVLYNJZZQYEFEA-UHFFFAOYSA-N	c1ccc2c(c1)[nH]c(=C(C#N)c1nc(ncc1)NCCc1cnccc1)s2	71433861		1	NB2011_RBC	31.03270215	1	1	0	100%	1
KQMPRSZTUSSXND-UHFFFAOYSA-N	CCOc1c(c(cc(n1)NC(=O)Cc1c(ccc(c1)OC)OC)N)C#N	11624601		2	NB2011_RBC;BC2013_Millipore	98.93966085;110	0;0	0	2	100%	0
ZXVUBPLDUMSDOE-UHFFFAOYSA-N	C1CCc2c(C1)c(c(s2)NC(=O)c1cccc2ccccc12)C#N.O	16760525		1	NB2011_RBC	99.02160434	0	0	1	100%	0
KOZFSFOOLUUIGY-IYYJOCMQSA-N	C[C@]12[C@@](C[C@H](O1)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c13)CNC4=O)(C(=O)OC)O	490561		2	NB2011_RBC;BC2013_Millipore	10.22334376;8	1;1	2	0	100%	1
QQUXFYAWXPMDOE-UHFFFAOYSA-N	C1c2c(c3ccccc3NC1=O)[nH]c1c2cc(cc1)Br	3820		2	NB2011_RBC;BC2013_Millipore	89.05285599;60	0;0	0	2	100%	0
BLLBARDQJSOSJD-PGUFJCEWSA-N	CN([C@H](Cc1ccc(cc1)OOSOc1cccc2c1ccnc2)C(=O)N1CCN(CC1)c1ccccc1)S(=O)(=O)c1cccc2c1ccnc2	-		1	NB2011_RBC	94.69145683	0	0	1	100%	0
LLLQTDSSHZREGW-UHFFFAOYSA-N	CN(CC=Cc1ccc(cc1)Cl)Cc1ccccc1N(CCO)S(=O)(=O)c1ccc(cc1)OC	3837		1	NB2011_RBC	95.27177333	0	0	1	100%	0
FMETVQKSDIOGPX-UHFFFAOYSA-N	C1CCC(C1)n1cc(c2c1ncnc2N)c1ccc(cc1)Oc1ccccc1	6603792		2	NB2011_RBC;BC2013_Millipore	94.55299839;90	0;0	0	2	100%	0
CZQHHVNHHHRRDU-UHFFFAOYSA-N	C1COCCN1c1cc(=O)c2c(o1)c(ccc2)c1ccccc1	3973		2	NB2011_RBC;BC2013_Millipore	93.44672279;98	0;0	0	2	100%	0
NGAGMBNBKCDCDJ-UHFFFAOYSA-N	C1CN(CCN1)c1cc(=O)c2c(o1)c(ccc2)c1ccccc1	3971		2	NB2011_RBC;BC2013_Millipore	94.26501044;83	0;0	0	2	100%	0
NHBMKTBZZSJUGA-HKRCYGBASA-N	c1(c(cccc1)S/C(=C(/c1cccc(c1)[C@H](c1ccncc1)O)\C#N)/N)N	-		1	NB2011_RBC	94.71503312	0	0	1	100%	0
GYQSWJNGTWVFOL-UHFFFAOYSA-N	C1CC(=O)N(C1=O)C1=C(C(=O)c2ccccc2C1=O)Cl	389898		1	NB2011_RBC	100.8006967	0	0	1	100%	0
JLOXTZFYJNCPIS-UHFFFAOYSA-N	c1ccc(c(c1)C(=C(N)Sc1ccc(cc1)N)C#N)C(F)(F)F	24906275		1	NB2011_RBC	99.87160414	0	0	1	100%	0
FPYJSJDOHRDAMT-UHFFFAOYSA-N	Cc1c([nH]c(c1C(=O)N1CCN(CC1)C)C)C=C1c2c(ccc(c2)S(=O)(=O)N(C)c2cc(ccc2)Cl)NC1=O	53396327		1	NB2011_RBC	101.9313636	0	0	1	100%	0
UQPMANVRZYYQMD-UHFFFAOYSA-N	c1cc(ccc1Nc1c2c(ncnc2n[nH]1)N)F	11644425		1	NB2011_RBC	87.74475394	0	0	1	100%	0
ODYAQBDIXCVKAE-UHFFFAOYSA-N	c1ccc(c(c1)c1ccc(cc1)CCCC(=O)Nc1ccc(cc1)O)F	11382492		2	NB2011_RBC;BC2013_Millipore	94.68804901;119	0;0	0	2	100%	0
IBAKVEUZKHOWNG-UHFFFAOYSA-N	c1ccc(cc1)Oc1ccc(cc1)CCNc1ncnc2c1cc(cc2)N	509554		1	NB2011_RBC	96.90287065	0	0	1	100%	0
VXPWQNBKEIVYIS-OAHLLOKOSA-N	C[C@H](c1ccccc1)Nc1nccc(c1)c1c([nH]c(n1)SC)c1ccc(cc1)F	10862355		1	NB2011_RBC	96.32286276	0	0	1	100%	0
DZFBYHUKZSRPHU-UHFFFAOYSA-N	c1cc(ccc1c1c([nH]n(c1=O)c1ccc(cc1)Cl)c1ccncc1)F	4665		2	NB2011_RBC;BC2013_Millipore	96.48824174;91	0;0	0	2	100%	0
QFWCYNPOPKQOKV-UHFFFAOYSA-N	COc1cccc(c1N)c1cc(=O)c2ccccc2o1	4713		2	NB2011_RBC;BC2013_Millipore	95.74830554;118	0;0	0	2	100%	0
BGIYKDUASORTBB-UHFFFAOYSA-N	c1cc(ccc1c1nc(c([nH]1)c1ccncc1)c1ccc(cc1)F)[N+](=O)[O-]	4712		2	NB2011_RBC;BC2013_Millipore	92.92537801;86	0;0	0	2	100%	0
KFHMLBXBRCITHF-UHFFFAOYSA-N	CNc1ncc2c(c1)c(ncn2)Nc1cc(ccc1)Br	4707		2	NB2011_RBC;BC2013_Millipore	91.84721748;109	0;0	0	2	100%	0
WUPUZEMRHDROEO-UHFFFAOYSA-N	CCC(=O)Nc1cc2c(cc1)ncnc2Nc1cc(ccc1)Br	4709		2	NB2011_RBC;BC2013_Millipore	95.22699512;109	0;0	0	2	100%	0
CZDUJGOCEPWCNA-UHFFFAOYSA-N	CCCC(=O)Oc1cc2c(cc1)[nH]c(c2)C(=O)c1cc2ccccc2[nH]1	5330548		2	NB2011_RBC;BC2013_Millipore	99.16471415;106	0;0	0	2	100%	0
INTPTKHSGKBHHW-UHFFFAOYSA-N	COc1c(cc2c(c1)c(ncn2)N1CCN(CC1)C(=O)Nc1ccc(cc1)Oc1ccccc1)OC	10907042		2	NB2011_RBC;BC2013_Millipore	93.22273364;79	0;0	0	2	100%	0
ZDNURMVOKAERHZ-UHFFFAOYSA-N	COc1c(cc2c(c1)Cc1c2[nH]nc1Nc1cc(ccc1)F)OC	9797370		2	NB2011_RBC;BC2013_Millipore	84.79059146;61	0;0	0	2	100%	0
PEPCXHNLEXQQSE-UHFFFAOYSA-N	Cc1ccccc1C(=O)NC(=S)Nc1ccc(cc1)Oc1c2cc(c(cc2ncc1)OC)OC.O.O.O	16760609		2	NB2011_RBC;BC2013_Millipore	95.93680274;80	0;0	0	2	100%	0
DGCXNBUJPWPMJJ-UHFFFAOYSA-N	n12c(nnn1)nc1c(n2)[C@H](c2c1cccc2)O	-		1	NB2011_RBC	79.20495598	0	0	1	100%	0
VFBGXTUGODTSPK-UHFFFAOYSA-N	c1cc2c(c3c1NC(=O)C3=Cc1cnc[nH]1)scn2	57351456		1	NB2011_RBC	5.678231666	1	1	0	100%	1
ZJFMARHFPUZEKI-UHFFFAOYSA-N	c1cc2c(cc1Cl)C(=Cc1cc(c(c(c1)Cl)O)Cl)C(=O)N2	24906292		1	NB2011_RBC	8.653357392	1	1	0	100%	1
TUVCWJQQGGETHL-UHFFFAOYSA-N	O1CCN(CC1)c1nc(nc2c1oc1ncccc21)c1cc(O)ccc1	9884685		2	NB2011_RBC;BC2013_Millipore	90.27519789;76	0;0	0	2	100%	0
SQWZFLMPDUSYGV-UHFFFAOYSA-N	c1cc2nccnc2cc1C=C1C(=O)NC(=O)S1	24906273		1	NB2011_RBC	38.77436788	1	1	0	100%	1
SRLVNYDXMUGOFI-UHFFFAOYSA-N	c1cc2c(cc1C=C1C(=O)NC(=O)S1)OC(O2)(F)F	53394675		1	NB2011_RBC	96.70358941	0	0	1	100%	0
KKDPIZPUTYIBFX-UHFFFAOYSA-N	c1ccc(cc1)n1c2c(cn1)c(ncn2)N	4879		2	NB2011_RBC;BC2013_Millipore	94.76476066;113	0;0	0	2	100%	0
GDQXJQSQYMMKRA-UHFFFAOYSA-N	CC(C)(C)n1c2c(c(n1)Cc1cccc3ccccc13)c(ncn2)N	5154691		2	NB2011_RBC;BC2013_Millipore	57.13617343;79	0;0	0	2	100%	0
BMGQWWVMWDBQGC-PZFYLCKJSA-N	O1[C@]2(n3c4c5n([C@@H]1C[C@H](N(C)C(=O)c1ccccc1)[C@@H]2OC)c1c(c5c2c(c4c4c3cccc4)CNC2=O)cccc1)C	24202429		1	NB2011_RBC	70.16632547	0	0	1	100%	0
RONQPWQYDRPRGG-UHFFFAOYSA-N	c1cc(ccc1Nc1c(cc2c(c1)C(=O)NC2=O)Nc1ccc(cc1)F)F	6711154		2	NB2011_RBC;BC2013_Millipore	95.14330258;103	0;0	0	2	100%	0
KIWODJBCHRADND-UHFFFAOYSA-N	c1ccc(cc1)NC1=C(C(=O)NC1=O)c1cn(c2ccccc12)CCCn1ccnc1	6419755		2	NB2011_RBC;BC2013_Millipore	95.79016672;84	0;0	0	2	100%	0
PMXCMJLOPOFPBT-OAHLLOKOSA-N	CC(C)[C@@H](CO)Nc1nc2c(c(n1)Nc1cc(ccc1)Cl)ncn2C(C)C	12084804		1	NB2011_RBC	93.59416207	0	0	1	100%	0
QFJCIRLUMZQUOT-JRLVRMFHSA-N	C[C@@H]1CC[C@@H]2C[C@@H](C(=CC=CC=C[C@@H](C[C@@H](C(=O)[C@@H]([C@H](C(=C[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@]1(O2)O)[C@H](C)C[C@@H]1CC[C@H]([C@@H](C1)OC)O)C)C)O)OC)C)C)C)OC	-		1	NB2011_RBC	103.4450162	0	0	1	100%	0
LLJRXVHJOJRCSM-UHFFFAOYSA-N	c1ccc2c(c1)c(c[nH]2)c1ccncc1	644354		2	NB2011_RBC;BC2013_Millipore	62.33687043;48	0;1	1	1	50%	2
CMKMGFAUKPAOMG-AWEZNQCLSA-N	NCC(=O)N1CCCN([C@H](C1)C)S(=O)(=O)c1cccc2c1c(cnc2)C	11976582		1	NB2011_RBC	99.39040725	0	0	1	100%	0
FXGHOAZJQNLNFD-KRWDZBQOSA-N	c1c2c(ccc1)n1c(c2C2=C(C(=O)NC2=O)c2cn(c3c2cccc3)C)C[C@H](CC1)CN(C)C	127757		1	NB2011_RBC	100.1250934	0	0	1	100%	0
XFXDYDZBKXMGBX-HOTGVXAUSA-N	c1cc(ccn1)[C@H]1[C@@H](N=C(N1)c1ccc(cc1)OC)CC	-		1	NB2011_RBC	55.89765025	0	0	1	100%	0
NJNKPVPFGLGHPA-UHFFFAOYSA-N	C1=CC(=O)C=CC1=c1[nH]c(c([nH]1)c1ccncc1)c1ccc(cc1)F	-		1	NB2011_RBC	86.85295454	0	0	1	100%	0
CDMGBJANTYXAIV-MHZLTWQESA-N	C[S@](=O)c1ccc(cc1)c1nc(c([nH]1)c1ccncc1)c1ccc(cc1)F	9543416		1	NB2011_RBC	88.25042646	0	0	1	100%	0
VSPFURGQAYMVAN-UHFFFAOYSA-N	C1CNCCC1n1cnc(c1c1nc(ncc1)N)c1ccc(cc1)F	5164		2	NB2011_RBC;BC2013_Millipore	91.37303645;54	0;0	0	2	100%	0
OTPNDVKVEAIXTI-IYBDPMFKSA-N	C1C[C@@H]2n3c4ccccc4c4c5c(c6c7ccccc7n([C@H]1O2)c6c34)c(=O)[nH]c5=O	447446		1	NB2011_RBC	18.46182023	1	1	0	100%	1
BHWCZLOXTLWZAQ-UHFFFAOYSA-N	Cc1nc(c(o1)c1ccncc1)c1ccccc1	5174		2	NB2011_RBC;BC2013_Millipore	87.604563;94	0;0	0	2	100%	0
YOELZIQOLWZLQC-UHFFFAOYSA-N	C1CSc2nc(c(n12)c1ccncc1)c1ccc(cc1)F	5228		2	NB2011_RBC;BC2013_Millipore	104.2684104;85	0;0	0	2	100%	0
ZFGXZJKLOFCECI-UHFFFAOYSA-N	c1c(ccc(c1)Cl)c1nc(sc1)Nc1ccc(cc1)O	753704		1	NB2011_RBC	100.3953225	0	0	1	100%	0
DMWVGXGXHPOEPT-UHFFFAOYSA-N	COc1c(cc2c(c1)c(ncn2)Nc1ccc(cc1)Oc1ccccc1)OC	1474853		2	NB2011_RBC;BC2013_Millipore	92.04228884;77	0;0	0	2	100%	0
HKSZLNNOFSGOKW-HMWZOHBLSA-N	C[C@]12[C@H]([C@H](C[C@H](O1)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c13)CNC4=O)NC)OC	451705		2	NB2011_RBC;BC2013_Millipore	6.940266279;1	1;1	2	0	100%	1
WNRSTFUVBWNELX-UHFFFAOYSA-N	CC(=O)O.c1ccc2c(c1)nc1n2c(=O)c2cccc3c(ccc1c23)C(=O)O	16760660		1	NB2011_RBC	90.94474646	0	0	1	100%	0
LOGJQOUIVKBFGH-UHFFFAOYSA-N	CN(C)S(=O)(=O)c1cc2c(cc1)NC(=O)C2=Cc1cc2c([nH]1)CCCC2	5309		1	NB2011_RBC	115.9907672	0	0	1	100%	0
QNUKRWAIZMBVCU-UHFFFAOYSA-N	COc1cc2c(cc1)NC(=O)C2=Cc1cnc[nH]1	24906268		1	NB2011_RBC	72.2137711	0	0	1	100%	0
XPLJEFSRINKZLC-UHFFFAOYSA-N	CCN(CC)CCNC(=O)c1c([nH]c(c1C)C=C1c2c(ccc(c2)Cl)NC1=O)C	24906267		1	NB2011_RBC	82.88974496	0	0	1	100%	0
MLKHXLFEYOOYEY-UHFFFAOYSA-N	Cn1cc(c2ccccc12)C=C1c2c(ccc(c2)S(=O)(=O)N)NC1=O	24906266		1	NB2011_RBC	93.08103832	0	0	1	100%	0
LCACSMNPIITJGG-UHFFFAOYSA-N	c1cc(cc(c1)Nc1nc(ncc1C(=O)N)NCCN)C(F)(F)F.O.O.Cl.Cl	16760670		2	NB2011_RBC;BC2013_Millipore	57.82154475;44	0;1	1	1	50%	2
KFLWBZPSJQPRDD-UHFFFAOYSA-N	C1Oc2c(O1)cc(cc2)C=C[N+](=O)[O-]	94945		1	NB2011_RBC	99.3345951	0	0	1	100%	0
NMEUKWOOQOHUNA-UHFFFAOYSA-N	c1cc(cnc1)CNc1ncc2c(c1)c(c(cn2)C#N)Nc1cc(c(cc1)F)Cl	9549300		1	NB2011_RBC	82.48501216	0	0	1	100%	0
IBCXZJCWDGCXQT-UHFFFAOYSA-N	c1ccc2c(c1)c(ccn2)c1c([nH]nc1)c1ccccn1	447966		2	NB2011_RBC;BC2013_Millipore	90.83175692;71	0;0	0	2	100%	0
BTUOOXPZOVNPMF-UHFFFAOYSA-N	Cc1cccc(n1)c1c(nc([nH]1)C(C)(C)C)c1cc2c(cc1)OCO2.Cl	16079009		2	NB2011_RBC;BC2013_Millipore	78.6531691;92	0;0	0	2	100%	0
UOHFCPXBKJPCAD-UHFFFAOYSA-N	COc1ccc(cc1)C=C(C#N)C#N	2063		2	NB2011_RBC;BC2013_Millipore	96.68111717;100	0;0	0	2	100%	0
TUCIOBMMDDOEMM-UHFFFAOYSA-N	c1ccc(cc1)CNC(=O)C(=Cc1cc(c(cc1)O)O)C#N	2390		1	NB2011_RBC	104.0278784	0	0	1	100%	0
DXVJRTIPBNBLLB-UHFFFAOYSA-N	c1cc(ccc1C=C(C#N)C(=C(C#N)C#N)N)O	2045		1	NB2011_RBC	90.13115092	0	0	1	100%	0
FQNCLVJEQCJWSU-UHFFFAOYSA-N	Cc1cc2ncc(nc2cc1C)c1ccccc1	2048		2	NB2011_RBC;BC2013_Millipore	91.5100301;87	0;0	0	2	100%	0
QNOXYUNHIGOWNY-UHFFFAOYSA-N	COc1c(cc2c(c1)ncc(n2)c1ccccc1)OC	2049		2	NB2011_RBC;BC2013_Millipore	92.08097447;76	0;0	0	2	100%	0
GFNNBHLJANVSQV-UHFFFAOYSA-N	COc1c(cc2c(c1)c(ncn2)Nc1cc(ccc1)Cl)OC	2051		2	NB2011_RBC;BC2013_Millipore	84.76301761;130	0;0	0	2	100%	0
PMUJUSJUVIXDQC-UHFFFAOYSA-N	CCOC(=O)c1c([nH]c(c1C)C=C1c2ccccc2NC1=O)C	5654		1	NB2011_RBC	92.85496247	0	0	1	100%	0
GGPZCOONYBPZEW-UHFFFAOYSA-N	c1ccc(c(c1)C(=O)Nc1ccc(cc1)Cl)NCc1ccncc1	9797919		2	NB2011_RBC;BC2013_Millipore	95.47687506;135	0;0	0	2	100%	0
YUWFTONEHHSMEI-CZUORRHYSA-N	C1=C(C(=C[C@@H]2[C@@H]1C(=NC=N2)Oc1ccc(c(c1)Cl)NC(=O)NCCC)OC)OC	-		1	NB2011_RBC	99.06116893	0	0	1	100%	0
RFHPWPWVGFSLOP-UHFFFAOYSA-N	C1CCc2c(C1)cc([nH]2)C=C1c2c(ccc(c2)Br)NC1=O	5655		1	NB2011_RBC	88.00850796	0	0	1	100%	0
WUWDLXZGHZSWQZ-UHFFFAOYSA-N	Cc1cc(c([nH]1)C=C1c2ccccc2NC1=O)C	123015		1	NB2011_RBC	95.6659453	0	0	1	100%	0
HBWLNACPIFKNIP-UHFFFAOYSA-N	COc1ccc(cc1)c1cn2c(c(cn2)c2cscc2)nc1	5329468		2	NB2011_RBC;BC2013_Millipore	77.19335248;95	0;0	0	2	100%	0
QDLHCMPXEPAAMD-BLNDMVMCSA-N	[C@H]1([C@]2(c3c(C(=O)O1)coc3C(=O)C1=C2[C@H](C[C@]2([C@@H]1CCC2=O)C)OC(=O)C)C)COC	-		1	NB2011_RBC	88.28521811	0	0	1	100%	0
BLQHLDXMMWHXIT-YSZXOBSOSA-N	C[C@@H]([C@H]1CC[C@@H](CC1)C(=O)Nc1ccncc1)N.O.Cl.Cl	-		1	NB2011_RBC	92.37508946	0	0	1	100%	0
AXPBLFXFGVEGKU-UHFFFAOYSA-N	c1(c(cc(c(c1)Cl)CO)Nc1c(cnc2c1cc(c(c2)OCCCN1CCN(CC1)C)OC)C#N)Cl	-		1	NB2011_RBC	65.60395922	0	0	1	100%	0
ZBNZXTGUTAYRHI-UHFFFAOYSA-N	c1c(C(=O)Nc2c(cccc2Cl)C)sc(Nc2cc(nc(C)n2)N2CCN(CCO)CC2)n1	3062316	Dasatinib	1	NB2011_RBC	91.94150604	0	0	1	100%	0
PIQCTGMSNWUMAF-UHFFFAOYSA-N	C1N(CCN(C1)C)c1cc2c(cc1)nc([nH]2)c1c(c2c([nH]c1=O)cccc2F)N	135398510		1	NB2011_RBC	74.99684015	0	0	1	100%	0
AAKJLRGGTJKAMG-UHFFFAOYSA-N	C#Cc1cc(Nc2c3cc(OCCOC)c(OCCOC)cc3ncn2)ccc1	176870	Erlotinib	1	NB2011_RBC	80.89586996	0	0	1	100%	0
XGALLCVXEZPNRQ-UHFFFAOYSA-N	C1COCCN1CCCOc1c(cc2c(c1)/c(=N/c1cc(Cl)c(F)cc1)/nc[nH]2)OC	123631	Gefitinib	1	NB2011_RBC	84.04594707	0	0	1	100%	0
KTUFNOKKBVMGRW-UHFFFAOYSA-N	c1cc(cnc1)c1ccnc(n1)Nc1c(ccc(c1)NC(=O)c1ccc(cc1)CN1CCN(C)CC1)C	5291	Imatinib	1	NB2011_RBC	92.73409915	0	0	1	100%	0
BCFGMOOMADDAQU-UHFFFAOYSA-N	CS(=O)(=O)CCNCc1ccc(o1)c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1	208908	Lapatinib	1	NB2011_RBC	66.53499347	0	0	1	100%	0
WJEOLQLKVOPQFV-UHFFFAOYSA-N	Cc1c(cc(cc1)NC(=O)c1ccc(cc1)CN1CCN(CC1)C)Nc1nc(cs1)c1cnccc1	10074640		1	NB2011_RBC	100.336643	0	0	1	100%	0
ZTFBIUXIQYRUNT-MDWZMJQESA-N	c1c(ccc(c1)C(F)(F)F)/C=C/c1occ(n1)COc1ccc(cc1)CCCCn1nncc1	6444692		1	NB2011_RBC	105.4113799	0	0	1	100%	0
HHZIURLSWUIHRB-UHFFFAOYSA-N	Cc1c(cc(cc1)C(=O)Nc1cc(cc(c1)n1cc(nc1)C)C(F)(F)F)Nc1nccc(n1)c1cnccc1	644241	Nilotinib	1	NB2011_RBC	66.51406246	0	0	1	100%	0
CUIHSIWYWATEQL-UHFFFAOYSA-N	S(=O)(=O)(N)c1c(ccc(Nc2nc(N(c3cc4nn(c(c4cc3)C)C)C)ccn2)c1)C	10113978	Pazopanib	1	NB2011_RBC	90.40955073	0	0	1	100%	0
BTIHMVBBUGXLCJ-OAHLLOKOSA-N	OC[C@H](Nc1nc2n(C(C)C)cnc2c(n1)NCc1ccccc1)CC	160355		1	NB2011_RBC	79.86813044	0	0	1	100%	0
MLDQJTXFUGDVEO-UHFFFAOYSA-N	c1c(ccc(c1C(F)(F)F)Cl)NC(=O)Nc1ccc(cc1)Oc1ccnc(c1)C(=O)NC	216239	Sorafenib	1	NB2011_RBC	99.27946151	0	0	1	100%	0
WINHZLLDWRZWRT-ATVHPVEESA-N	Cc1c(c(C)c(/C=C\2/c3cc(ccc3NC2=O)F)[nH]1)C(=O)NCCN(CC)CC	5329102	Sunitinib	1	NB2011_RBC	53.17024858	0	0	1	100%	0
UXXQOJXBIDBUAC-UHFFFAOYSA-N	O(CCCN1CCCCC1)c1cc2ncnc(N3CCN(CC3)C(=O)Nc3ccc(OC(C)C)cc3)c2cc1OC	3038522		1	NB2011_RBC	99.51981106	0	0	1	100%	0
UJLAWZDWDVHWOW-AAEUAGOBSA-N	c1(c2c(ncn1)[nH]cc2)N([C@H]1CN(CC[C@@H]1C)C(=O)CC#N)C	25180101		1	NB2011_RBC	77.93791489	0	0	1	100%	0
GCIKSSRWRFVXBI-UHFFFAOYSA-N	N1(CCN(CC1)c1cc(nc(n1)Sc1ccc(cc1)NC(=O)C1CC1)Nc1cc(n[nH]1)C)C	5494449		1	NB2011_RBC	67.94972052	0	0	1	100%	0
UHTHHESEBZOYNR-UHFFFAOYSA-N	C1CN(C)CCC1COc1cc2c(cc1OC)/c(=N/c1ccc(Br)cc1F)/nc[nH]2	3081361	Vandetanib	1	NB2011_RBC	92.5518794	0	0	1	100%	0
YCOYDOIWSSHVCK-UHFFFAOYSA-N	Clc1ccc(Nc2nnc(c3c2cccc3)Cc2ccncc2)cc1	151194		1	NB2011_RBC	70.02676802	0	0	1	100%	0
FYSRKRZDBHOFAY-UHFFFAOYSA-N	c1c(c(c(cc1)F)N(c1nc(c(cc1)C(=O)N)c1c(cc(cc1)F)F)C(=O)N)F	10341154		1	NB2011_RBC	81.27093101	0	0	1	100%	0
MLKHXLFEYOOYEY-NVNXTCNLSA-N	S(=O)(=O)(N)c1cc2/C(=C/c3c4c(n(c3)C)cccc4)/C(=O)Nc2cc1	6419747		1	BC2013_Millipore	101	0	0	1	100%	0
PMUJUSJUVIXDQC-LCYFTJDESA-N	O(C(=O)c1c(c([nH]c1C)/C=C\1/c2c(NC1=O)cccc2)C)CC	6419834		1	BC2013_Millipore	129	0	0	1	100%	0
KFLWBZPSJQPRDD-ONEGZZNKSA-N	O1c2c(OC1)ccc(c2)/C=C/[N+](=O)[O-]	672296		1	BC2013_Millipore	128	0	0	1	100%	0
HOGVTUZUJGHKPL-UHFFFAOYSA-N	O1[C@H](n2c3ncnc4n(nc(N)c(c2)c34)C)[C@@H](O)[C@H](O)[C@@H]1CO	290486		1	BC2013_Millipore	61	0	0	1	100%	0
QFJCIRLUMZQUOT-MTKXUJSSSA-N	CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)O)C)C)O)OC)C)C)C)OC	16760631		1	BC2013_Millipore	86	0	0	1	100%	0
RFHPWPWVGFSLOP-ZROIWOOFSA-N	Brc1cc2/C(=C/c3[nH]c4c(CCCC4)c3)/C(=O)Nc2cc1	5329155		1	BC2013_Millipore	87	0	0	1	100%	0
ZUDPNBZMAJGYTE-HYMQDMCPSA-N	CS(=O)(=O)O.C1=CC(=CN=C1)C2=CC3=C(C=C2)NC(=O)C3=CC4=CC=CN4	16760524		1	BC2013_Millipore	9	1	1	0	100%	1
WUWDLXZGHZSWQZ-WQLSENKSSA-N	O=C1Nc2c(/C/1=C/c1[nH]c(cc1C)C)cccc2	5329098		1	BC2013_Millipore	100	0	0	1	100%	0
DPANHMGWPXVBQI-UHFFFAOYSA-N	O=C1c2c(c3nc4n(nc13)nnn4)cccc2	5113385		1	BC2013_Millipore	86	0	0	1	100%	0
VFBGXTUGODTSPK-BAQGIRSFSA-N	s1c2c3c(NC(=O)/C/3=C\c3[nH]cnc3)ccc2nc1	6490494		1	BC2013_Millipore	3	1	1	0	100%	1
NFDQHCCABRRTFB-XJCLVHIMSA-N	CC1CN(CCCN1S(=O)(=O)C2=CC=CC3=C2C(=CN=C3)C)C(=O)CN.O.Cl.Cl	16760635		1	BC2013_Millipore	91	0	0	1	100%	0
TUCIOBMMDDOEMM-RIYZIHGNSA-N	Oc1cc(/C=C(/C(=O)NCc2ccccc2)\C#N)ccc1O	5328779		1	BC2013_Millipore	83	0	0	1	100%	0
IMYVCWQAHSYYOO-UHFFFAOYSA-N	O(c1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OC)C	6610278		1	BC2013_Millipore	92	0	0	1	100%	0
ZJFMARHFPUZEKI-KMKOMSMNSA-N	Clc1cc2/C(=C/c3cc(Cl)c(O)c(Cl)c3)/C(=O)Nc2cc1	16760619		1	BC2013_Millipore	12	1	1	0	100%	1
BMGQWWVMWDBQGC-UHFFFAOYSA-N	O1[C@@]2(n3c4c5n([C@H]1C[C@@H](N(C)C(=O)c1ccccc1)[C@@H]2OC)c1c(c5c2c(c4c4c3cccc4)CNC2=O)cccc1)C	16760627		1	BC2013_Millipore	78	0	0	1	100%	0
DXVJRTIPBNBLLB-BJMVGYQFSA-N	Oc1ccc(cc1)/C=C(/C(=C(C#N)C#N)N)\C#N	5328804		1	BC2013_Millipore	88	0	0	1	100%	0
UAKWLVYMKBWHMX-RVDMUPIBSA-N	O=C1Nc2c(/C/1=C\c1ccc(N(C)C)cc1)cccc2	5353593		1	BC2013_Millipore	83	0	0	1	100%	0
MCAHMSDENAOJFZ-NDSMKMDISA-N	O([C@H]1C[C@@H]([C@@H](OC)C2=CC(=O)C=C(NC(=O)/C(=C/C=C\[C@@H](OC)[C@@H](OC(=O)N)/C(=C/[C@@H]([C@@H]1OC)C)/C)/C)C2=O)C)C	16760502		1	BC2013_Millipore	88	0	0	1	100%	0
SQWZFLMPDUSYGV-POHAHGRESA-N	S1/C(=C\c2cc3nccnc3cc2)/C(=O)NC1=O	5289247		1	BC2013_Millipore	27	1	1	0	100%	1
FPYJSJDOHRDAMT-KQWNVCNZSA-N	Clc1cc(N(S(=O)(=O)c2cc3/C(=C/c4[nH]c(c(C(=O)N5CCN(CC5)C)c4C)C)/C(=O)Nc3cc2)C)ccc1	9549297		1	BC2013_Millipore	90	0	0	1	100%	0
SRLVNYDXMUGOFI-YWEYNIOJSA-N	S1/C(=C\c2cc3OC(F)(F)Oc3cc2)/C(=O)NC1=O	5287855		1	BC2013_Millipore	78	0	0	1	100%	0
XPLJEFSRINKZLC-ATVHPVEESA-N	Clc1cc2/C(=C/c3[nH]c(c(c3C)C(=O)NCCN(CC)CC)C)/C(=O)Nc2cc1	5329103		1	BC2013_Millipore	43	1	1	0	100%	1
BLLBARDQJSOSJD-UHFFFAOYSA-N	CN(C(CC1=CC=C(C=C1)OOSOC2=CC=CC3=C2C=CN=C3)C(=O)N4CCN(CC4)C5=CC=CC=C5)S(=O)(=O)C6=CC=CC7=C6C=CN=C7	16760529		1	BC2013_Millipore	90	0	0	1	100%	0
BLQHLDXMMWHXIT-UYRCGDKNSA-N	CC(C1CCC(CC1)C(=O)NC2=CC=NC=C2)N.O.Cl.Cl	9797929		1	BC2013_Millipore	118	0	0	1	100%	0
LOGJQOUIVKBFGH-YBEGLDIGSA-N	S(=O)(=O)(N(C)C)c1cc2/C(=C/c3[nH]c4c(CCCC4)c3)/C(=O)Nc2cc1	5312137		1	BC2013_Millipore	127	0	0	1	100%	0
VXPWQNBKEIVYIS-UHFFFAOYSA-N	S(c1[nH]c(c(n1)c1cc(N[C@@H](c2ccccc2)C)ncc1)c1ccc(F)cc1)C	6419739		1	BC2013_Millipore	122	0	0	1	100%	0
CDMGBJANTYXAIV-UHFFFAOYSA-N	S(=O)(c1ccc(c2nc(c([nH]2)c2ccncc2)c2ccc(F)cc2)cc1)C	176155		1	BC2013_Millipore	88	0	0	1	100%	0
HBDSHCUSXQATPO-BGBJRWHRSA-N	O=C1N=c2c(=C1c1[nH]c3c(c1NO)cccc3)cccc2	-		1	BC2013_Millipore	26	1	1	0	100%	1
HLCDNLNLQNYZTK-UHFFFAOYSA-N	ClC(Cl)(Cl)[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)NC(=S)Nc1cc([N+](=O)[O-])c(F)cc1	6605258		1	BC2013_Millipore	83	0	0	1	100%	0
DOEWDSDBFRHVAP-KRXBUXKQSA-N	S(=O)(=O)(c1ccc(cc1)C)/C=C/C#N	5353431		1	BC2013_Millipore	94	0	0	1	100%	0
QMBDONCHHMIWFJ-UHFFFAOYSA-N	O=c1[nH][nH]c2nnc(c3c4n(nc3c3ccccc3)cccc4)cc12	16760417		1	BC2013_Millipore	114	0	0	1	100%	0
OTPNDVKVEAIXTI-UHFFFAOYSA-N	C1CC2N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N(C1O2)C7=C53)C(=O)NC6=O	3387354		1	BC2013_Millipore	50	1	1	0	100%	1
BGVLELSCIHASRV-QPEQYQDCSA-N	s1c2c(n(CC)/c/1=C/C(=O)C)cc(OC)cc2	1893668		1	BC2013_Millipore	17	1	1	0	100%	1
QJKBRWSJWQVKLY-UKTHLTGXSA-N	Clc1[nH]c2c(c1/C=C/1\c3c(NC1=O)cccc3)cccc2	5472558		1	BC2013_Millipore	85	0	0	1	100%	0
LLLQTDSSHZREGW-AATRIKPKSA-N	Clc1ccc(/C=C/CN(Cc2c(N(S(=O)(=O)c3ccc(OC)cc3)CCO)cccc2)C)cc1	5312122		1	BC2013_Millipore	82	0	0	1	100%	0
UTBSBSOBZHXMHI-LSDHHAIUSA-N	Clc1cc(Nc2nc(N[C@H]3[C@@H](N)CCCC3)nc3n(CC)cnc23)ccc1	2794188		1	BC2013_Millipore	48	1	1	0	100%	1
NHBMKTBZZSJUGA-HEHNFIMWSA-N	S(/C(=C(/c1cc([C@H](O)c2ccncc2)ccc1)\C#N)/N)c1c(N)cccc1	9951490		1	BC2013_Millipore	98	0	0	1	100%	0
PMXCMJLOPOFPBT-UHFFFAOYSA-N	Clc1cc(Nc2nc(N[C@@H](C(C)C)CO)nc3n(C(C)C)cnc23)ccc1	4987		1	BC2013_Millipore	100	0	0	1	100%	0
ZDRVLAOYDGQLFI-UHFFFAOYSA-N	C1=CC(=CC=C1C2=CSC(=N2)NC3=CC=C(C=C3)O)Cl.Cl	16760659		1	BC2013_Millipore	88	0	0	1	100%	0