Nc1ccccc1-c1nnc(O)[nH]c1=O ZINC000000039808 40/31/03/346403103 FJJPFVJTSLYMGW-UHFFFAOYSA-N -1 204.189 BC 0.12 0 Anodyne ref BCAARM Nc1ccccc1-c1n[nH]c(=O)[n-]c1=O COc1cccc(/C=C2/NC(=O)NC2=O)c1OC ZINC000000072090 24/07/07/175240707 WLDVJBQZHGGEDE-SOFGYWHQSA-N 0 248.238 BC 0.884 1 Anodyne mid BCAAMN COc1cccc(/C=C2/NC(=O)NC2=O)c1OC COc1cccc(/C=C2/NC(=O)NC2=O)c1OC ZINC000000072090 24/07/06/175240706 WLDVJBQZHGGEDE-SOFGYWHQSA-N -1 248.238 BC 0.884 0 Anodyne ref BCAARM COc1cccc(/C=C2/NC(=O)[N-]C2=O)c1OC COc1ccc(/C=C2/NC(=O)NC2=O)c(OC)c1 ZINC000000072148 04/81/17/175048117 QWZOWAQJPHWMTR-WEVVVXLNSA-N 0 248.238 BC 0.884 1 Anodyne mid BCAAMN COc1ccc(/C=C2/NC(=O)NC2=O)c(OC)c1 COc1ccc(/C=C2/NC(=O)NC2=O)c(OC)c1 ZINC000000072148 04/81/15/175048115 QWZOWAQJPHWMTR-WEVVVXLNSA-N -1 248.238 BC 0.884 0 Anodyne ref BCAARM COc1ccc(/C=C2/NC(=O)[N-]C2=O)c(OC)c1 COc1ccc(OC)c(/C=C2/NC(=O)NC2=O)c1 ZINC000000072293 16/36/05/175163605 LZMUNRZLNDFJBL-RMKNXTFCSA-N 0 248.238 BC 0.884 1 Anodyne mid BCAAMN COc1ccc(OC)c(/C=C2/NC(=O)NC2=O)c1 COc1ccc(OC)c(/C=C2/NC(=O)NC2=O)c1 ZINC000000072293 16/36/04/175163604 LZMUNRZLNDFJBL-RMKNXTFCSA-N -1 248.238 BC 0.884 0 Anodyne ref BCAARM COc1ccc(OC)c(/C=C2/NC(=O)[N-]C2=O)c1 COC(=O)c1ccc(/C=C2/NC(=O)NC2=O)cc1 ZINC000000073093 82/06/18/383820618 URZPRQFWHGVTJF-RMKNXTFCSA-N 0 246.222 BC 0.653 1 Anodyne mid BCAAMN COC(=O)c1ccc(/C=C2/NC(=O)NC2=O)cc1 COC(=O)c1ccc(/C=C2/NC(=O)NC2=O)cc1 ZINC000000073093 82/06/06/383820606 URZPRQFWHGVTJF-RMKNXTFCSA-N -1 246.222 BC 0.653 0 Anodyne ref BCAARM COC(=O)c1ccc(/C=C2/NC(=O)[N-]C2=O)cc1 CN1C(=O)[C@](O)(N2CCOCC2)c2ccccc21 ZINC000000086149 97/19/82/172971982 JMPSORORJUWKGN-ZDUSSCGKSA-N 0 248.282 BC 0.14 0 Anodyne ref BCAARN CN1C(=O)[C@](O)(N2CCOCC2)c2ccccc21 CN1C(=O)[C@@](O)(N2CCOCC2)c2ccccc21 ZINC000000086154 67/38/13/342673813 JMPSORORJUWKGN-CYBMUJFWSA-N 0 248.282 BC 0.14 0 Anodyne ref BCAARN CN1C(=O)[C@@](O)(N2CCOCC2)c2ccccc21 CCN1C(=O)CC(=O)N(CC)C1=S ZINC000000119654 67/53/34/342675334 SHBTUGJAKBRBBJ-UHFFFAOYSA-N -1 200.263 BC 0.372 1 Anodyne mid BCAAMM CCn1c([O-])cc(=O)n(CC)c1=S in-vitro CCN1C(=O)CC(=O)N(CC)C1=S ZINC000000119654 67/53/33/342675333 SHBTUGJAKBRBBJ-UHFFFAOYSA-N 0 200.263 BC 0.372 0 Anodyne ref BCAARN CCn1c(O)cc(=O)n(CC)c1=S in-vitro O=c1[nH]cc(CN2CCCCC2)c(=O)[nH]1 ZINC000000181793 67/95/51/342679551 RQNQTZPPHMBGFD-UHFFFAOYSA-N 0 209.249 BC 0.049 3 Anodyne high BCAAHN O=c1[n-]c(=O)c(C[NH+]2CCCCC2)c[nH]1 O=c1[nH]cc(CN2CCCCC2)c(=O)[nH]1 ZINC000000181793 67/95/47/342679547 RQNQTZPPHMBGFD-UHFFFAOYSA-N 1 209.249 BC 0.049 0 Anodyne ref BCAARO O=c1[nH]cc(C[NH+]2CCCCC2)c(=O)[nH]1 Cc1cc2c(c(N3CCOCC3)n1)C(=O)OC2 ZINC000000187083 31/30/90/132313090 OSTRKCIUKBNNKF-UHFFFAOYSA-N 0 234.255 BC 0.897 0 Anodyne ref BCAARN Cc1cc2c(c(N3CCOCC3)n1)C(=O)OC2 Cc1cc(=O)[nH]c(=O)n1-c1ccccc1 ZINC000000190315 27/24/75/188272475 MZDMOBOWCAGJFS-UHFFFAOYSA-N 0 202.213 BC 0.834 0 Anodyne ref BCAARN Cc1cc(=O)[nH]c(=O)n1-c1ccccc1 COC(=O)c1ccc(/C=N/n2cnnc2)cc1 ZINC000000229061 86/70/56/173867056 WISOKZZHJRDWDF-MKMNVTDBSA-N 0 230.227 BC 0.947 0 Mild ref BCEARN COC(=O)c1ccc(/C=N/n2cnnc2)cc1 Cc1cc(=O)[nH]c(=O)n1Cc1ccccc1 ZINC000000240083 84/47/99/383844799 LXRVJHIISSYWEJ-UHFFFAOYSA-N 0 216.24 BC 0.893 0 Anodyne ref BCAARN Cc1cc(=O)[nH]c(=O)n1Cc1ccccc1 COCc1cc(C)n(CC(=O)O)c(=O)c1C#N ZINC000000336359 61/83/02/174618302 WHTISUHSZYGVJQ-UHFFFAOYSA-N -1 236.227 BC 0.259 0 Mild ref BCEARM COCc1cc(C)n(CC(=O)[O-])c(=O)c1C#N O=C1CNC(=O)N1Cc1ccc(F)cc1 ZINC000000361635 41/53/31/346415331 QMZYSCSWNDPNIM-UHFFFAOYSA-N 0 208.192 BC 0.877 0 Anodyne ref BCAARN O=C1CNC(=O)N1Cc1ccc(F)cc1 O=C(O)COc1ccc(/C=N/n2cnnc2)cc1 ZINC000000367977 85/98/75/383859875 NVKXDMZSMOQWGE-LHHJGKSTSA-N -1 246.226 BC 0.624 0 Mild ref BCEARM O=C([O-])COc1ccc(/C=N/n2cnnc2)cc1 CNC(=S)NCCN1CCCCC1 ZINC000000414894 31/60/22/173316022 BMBUROLBKWSVQN-UHFFFAOYSA-N 0 201.339 BC 0.566 3 Anodyne high BCAAHN CNC(=S)NCCN1CCCCC1 CNC(=S)NCCN1CCCCC1 ZINC000000414894 31/60/20/173316020 BMBUROLBKWSVQN-UHFFFAOYSA-N 1 201.339 BC 0.566 0 Anodyne ref BCAARO CNC(=S)NCC[NH+]1CCCCC1 Cc1cc(C)c2c(c1)/C(=N\NC(N)=S)C(=O)N2 ZINC000000436283 91/54/58/397915458 CGOGBICOUNQHKA-UHFFFAOYSA-N 0 248.311 BC 0.793 0 Mild ref BCEARN Cc1cc(C)c2c(c1)/C(=N\NC(N)=S)C(=O)N2 Cc1ccccc1C=C1C(=O)NC(=S)NC1=O ZINC000000449547 25/66/83/179256683 YSWFKSUVVAQAKZ-UHFFFAOYSA-N -1 246.291 BC 0.909 1 Clean mid BCCAMM Cc1ccccc1C=C1C(=O)[N-]C(=S)NC1=O Cc1ccccc1C=C1C(=O)NC(=S)NC1=O ZINC000000449547 25/66/80/179256680 YSWFKSUVVAQAKZ-UHFFFAOYSA-N 0 246.291 BC 0.909 0 Clean ref BCCARN Cc1ccccc1C=C1C(=O)NC(=S)NC1=O N#CCC(=O)N/N=C/c1ccc(C#N)cc1 ZINC000000573909 60/82/08/263608208 UDKRGGVVGSFPTN-RIYZIHGNSA-N 0 212.212 BC 0.922 0 Reactive ref BCGARN N#CCC(=O)N/N=C/c1ccc(C#N)cc1 CCOc1cccc(/C=C2/NC(=O)NC2=O)c1O ZINC000000858865 69/39/30/342693930 PMWWUJGTKPATGH-SOFGYWHQSA-N 0 248.238 BC 0.971 1 Anodyne mid BCAAMN CCOc1cccc(/C=C2/NC(=O)NC2=O)c1O CCOc1cccc(/C=C2/NC(=O)NC2=O)c1O ZINC000000858865 69/39/27/342693927 PMWWUJGTKPATGH-SOFGYWHQSA-N -1 248.238 BC 0.971 0 Anodyne ref BCAARM CCOc1cccc(/C=C2/NC(=O)[N-]C2=O)c1O O=C1NC(=O)/C(=C\c2ccc(C(=O)O)cc2)N1 ZINC000000859197 69/37/93/342693793 WUTHPFGNYBVSDZ-VMPITWQZSA-N -1 232.195 BC 0.565 1 Anodyne mid BCAAMM O=C1NC(=O)/C(=C\c2ccc(C(=O)[O-])cc2)N1 O=C1NC(=O)/C(=C\c2ccc(C(=O)O)cc2)N1 ZINC000000859197 69/37/92/342693792 WUTHPFGNYBVSDZ-VMPITWQZSA-N -2 232.195 BC 0.565 0 Anodyne ref BCAARL O=C1[N-]C(=O)/C(=C\c2ccc(C(=O)[O-])cc2)N1 CN1C(N)=NC(=O)/C1=C\c1ccc2c(c1)OCO2 ZINC000001461674 12/43/26/358124326 PWMMZSKORREWPB-XBXARRHUSA-N 0 245.238 BC 0.543 0 Anodyne ref BCAARN CN1C(=Cc2ccc3c(c2)OCO3)C(=O)N=C1N O=C1NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)N1 ZINC000001637139 18/66/31/387186631 UXLLZDWZJYMJKG-YVMONPNESA-N 0 233.183 BC 0.775 1 Bother mid BCBAMN O=C1NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)N1 O=C1NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)N1 ZINC000001637139 18/66/18/387186618 UXLLZDWZJYMJKG-YVMONPNESA-N -1 233.183 BC 0.775 0 Bother ref BCBARM O=C1[N-]C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)N1 Cc1ccc(NC(=O)CN2C(=O)CNC2=O)cc1 ZINC000002729831 72/68/28/342726828 UMWDPVRCVZWHMR-UHFFFAOYSA-N 0 247.254 BC 0.485 0 Anodyne ref BCAARN Cc1ccc(NC(=O)CN2C(=O)CNC2=O)cc1 Cc1cccc(NC(=O)CN2C(=O)CNC2=O)c1 ZINC000002840747 12/80/78/179128078 HIDTVFKDZKQZDO-UHFFFAOYSA-N 0 247.254 BC 0.485 0 Anodyne ref BCAARN Cc1cccc(NC(=O)CN2C(=O)CNC2=O)c1 O=C1NC(=O)C(=Cc2cccs2)C(=O)N1 ZINC000002859852 53/42/76/346534276 VNCNRGORRVUAOZ-UHFFFAOYSA-N 0 222.225 BC 0.497 1 Clean mid BCCAMN O=C1NC(=O)C(=Cc2cccs2)C(=O)N1 O=C1NC(=O)C(=Cc2cccs2)C(=O)N1 ZINC000002859852 53/42/70/346534270 VNCNRGORRVUAOZ-UHFFFAOYSA-N -1 222.225 BC 0.497 0 Clean ref BCCARM O=C1[N-]C(=O)C(=Cc2cccs2)C(=O)N1 O=C1NC(=S)NC(=O)C1=Cc1ccsc1 ZINC000003246042 55/87/87/346558787 GQJXSABKQGHKPV-UHFFFAOYSA-N -1 238.293 BC 0.662 1 Clean mid BCCAMM O=C1[N-]C(=S)NC(=O)C1=Cc1ccsc1 O=C1NC(=S)NC(=O)C1=Cc1ccsc1 ZINC000003246042 55/87/81/346558781 GQJXSABKQGHKPV-UHFFFAOYSA-N 0 238.293 BC 0.662 0 Clean ref BCCARN O=C1NC(=S)NC(=O)C1=Cc1ccsc1 CN1C(=O)C(=O)c2cc([N+](=O)[O-])ccc21 ZINC000004141329 95/99/22/172959922 JPTDPTOWOMFBRY-UHFFFAOYSA-N 0 206.157 BC 0.754 0 Bother ref BCBARN CN1C(=O)C(=O)c2cc([N+](=O)[O-])ccc21 in-vitro Cc1cc(C)n(-c2nnc(S)n2N)n1 ZINC000004218404 74/44/95/342744495 ASFSLPHUVSWMJK-UHFFFAOYSA-N 0 210.266 BC 0.083 0 Anodyne ref BCAARN Cc1cc(C)n(C2N=NC(=S)N2N)n1 COCc1cc(C)nc(OCC(=O)O)c1C#N ZINC000004413895 74/77/41/342747741 VYDSZOKEUUDMPG-UHFFFAOYSA-N -1 236.227 BC 0.872 0 Mild ref BCEARM COCc1cc(C)nc(OCC(=O)[O-])c1C#N O=C1NC(=O)/C(=C\c2ccc3c(c2)OCCO3)N1 ZINC000004696477 58/54/10/187585410 AYXSDVHIIGYDSE-VMPITWQZSA-N 0 246.222 BC 0.638 1 Anodyne mid BCAAMN O=C1NC(=O)/C(=C\c2ccc3c(c2)OCCO3)N1 O=C1NC(=O)/C(=C\c2ccc3c(c2)OCCO3)N1 ZINC000004696477 58/54/09/187585409 AYXSDVHIIGYDSE-VMPITWQZSA-N -1 246.222 BC 0.638 0 Anodyne ref BCAARM O=C1[N-]C(=O)/C(=C\c2ccc3c(c2)OCCO3)N1 CNC(=S)Nc1ccc(S(N)(=O)=O)cc1 ZINC000004810783 31/70/78/173317078 DKEQHNZCGZPSII-UHFFFAOYSA-N 0 245.329 BC 0.25 0 Anodyne ref BCAARN CNC(=S)Nc1ccc(S(N)(=O)=O)cc1 COCc1cc(C)nc(N2CCNCC2)c1C#N ZINC000005014285 70/41/42/536704142 RAKSZALPQHDYIC-UHFFFAOYSA-N 0 246.314 BC 0.818 3 Mild high BCEAHN COCc1cc(C)nc(N2CCNCC2)c1C#N COCc1cc(C)nc(N2CCNCC2)c1C#N ZINC000005014285 70/41/34/536704134 RAKSZALPQHDYIC-UHFFFAOYSA-N 1 246.314 BC 0.818 0 Mild ref BCEARO COCc1cc(C)nc(N2CC[NH2+]CC2)c1C#N O=C(O)CN1C(=O)N/C(=C/c2ccccc2)C1=O ZINC000005018708 09/47/51/384094751 IRNZKPMQPHFXID-RMKNXTFCSA-N -1 246.222 BC 0.664 0 Anodyne ref BCAARM O=C([O-])CN1C(=O)N/C(=C/c2ccccc2)C1=O Cc1cccc2c1NC(=O)/C2=N/NC(N)=S ZINC000005509113 21/95/00/179219500 SQNBUDZCBCGHOP-UHFFFAOYSA-N 0 234.284 BC 0.484 0 Mild ref BCEARN Cc1cccc2c1NC(=O)/C2=N/NC(N)=S CCc1cccc2c1NC(=O)/C2=N/NC(N)=S ZINC000005658570 12/35/83/384123583 DSQWSGWMLQKZTQ-UHFFFAOYSA-N 0 248.311 BC 0.738 0 Mild ref BCEARN CCc1cccc2c1NC(=O)/C2=N/NC(N)=S Cc1cccc2c1N(C)C(=O)/C2=N\NC(N)=S ZINC000005730763 21/90/42/179219042 ODHQHKRWOPKYMA-JYRVWZFOSA-N 0 248.311 BC 0.509 0 Mild ref BCEARN Cc1cccc2c1N(C)C(=O)/C2=N\NC(N)=S Cc1cc(=O)[nH]c(=O)n1-c1ccc(F)cc1 ZINC000006703972 78/11/08/342781108 LJQLEJKZKHPFHA-UHFFFAOYSA-N 0 220.203 BC 0.973 0 Anodyne ref BCAARN Cc1cc(=O)[nH]c(=O)n1-c1ccc(F)cc1 O=C1N=C(O)/C(=C\c2ccco2)C(=O)N1 ZINC000009045621 80/73/94/342807394 XDWMFQLVGXHUJV-UHFFFAOYSA-N 0 206.157 BC 0.869 1 Clean mid BCCAMN O=C1NC(=O)C(=Cc2ccco2)C(=O)N1 O=C1N=C(O)/C(=C\c2ccco2)C(=O)N1 ZINC000009045621 80/73/92/342807392 XDWMFQLVGXHUJV-UHFFFAOYSA-N -1 206.157 BC 0.869 0 Clean ref BCCARM O=C1[N-]C(=O)C(=Cc2ccco2)C(=O)N1 CNC(=S)Nc1cccc(C(N)=O)c1 ZINC000009265431 31/71/72/173317172 YPZNVUCCGGYPSY-UHFFFAOYSA-N 0 209.274 BC 0.702 0 Anodyne ref BCAARN CNC(=S)Nc1cccc(C(N)=O)c1 Cc1cc(=O)[nH]c(=O)n1-c1ccc2c(c1)OCO2 ZINC000009295566 27/85/93/188278593 ZUWBATOZVDKQLS-UHFFFAOYSA-N 0 246.222 BC 0.563 0 Anodyne ref BCAARN Cc1cc(=O)[nH]c(=O)n1-c1ccc2c(c1)OCO2 COc1cccc(/C=C2\NC(=O)NC2=O)c1O ZINC000013118240 24/10/99/175241099 FKRMGRMQSZAAGM-ALCCZGGFSA-N 0 234.211 BC 0.581 1 Anodyne mid BCAAMN COc1cccc(/C=C2\NC(=O)NC2=O)c1O COc1cccc(/C=C2\NC(=O)NC2=O)c1O ZINC000013118240 24/10/98/175241098 FKRMGRMQSZAAGM-ALCCZGGFSA-N -1 234.211 BC 0.581 0 Anodyne ref BCAARM COc1cccc(/C=C2\NC(=O)[N-]C2=O)c1O Cc1ccc2c(c1)/C(=N/NC(N)=S)C(=O)N2C ZINC000013476004 36/38/07/384363807 DCIVFEUOYZPPTF-LCYFTJDESA-N 0 248.311 BC 0.509 0 Mild ref BCEARN Cc1ccc2c(c1)/C(=N/NC(N)=S)C(=O)N2C COc1ccc(/C=C2\NC(=O)NC2=O)cc1 ZINC000013546485 04/85/06/175048506 XLTKBDZXXGQCSC-TWGQIWQCSA-N 0 218.212 BC 0.876 1 Anodyne mid BCAAMN COc1ccc(/C=C2\NC(=O)NC2=O)cc1 COc1ccc(/C=C2\NC(=O)NC2=O)cc1 ZINC000013546485 04/85/02/175048502 XLTKBDZXXGQCSC-TWGQIWQCSA-N -1 218.212 BC 0.876 0 Anodyne ref BCAARM COc1ccc(/C=C2\NC(=O)[N-]C2=O)cc1 O=C1NC(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)N1 ZINC000013546535 28/02/54/188280254 MSTWOYMTYLWAGQ-YVMONPNESA-N 0 233.183 BC 0.775 1 Bother mid BCBAMN O=C1NC(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)N1 O=C1NC(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)N1 ZINC000013546535 28/02/52/188280252 MSTWOYMTYLWAGQ-YVMONPNESA-N -1 233.183 BC 0.775 0 Bother ref BCBARM O=C1[N-]C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)N1 O=C1NC(=O)/C(=C/c2ccccc2[N+](=O)[O-])N1 ZINC000013546583 56/49/15/343564915 WRPWONRKBCAFDU-ALCCZGGFSA-N 0 233.183 BC 0.775 1 Bother mid BCBAMN O=C1NC(=O)/C(=C/c2ccccc2[N+](=O)[O-])N1 O=C1NC(=O)/C(=C/c2ccccc2[N+](=O)[O-])N1 ZINC000013546583 56/49/12/343564912 WRPWONRKBCAFDU-ALCCZGGFSA-N -1 233.183 BC 0.775 0 Bother ref BCBARM O=C1[N-]C(=O)/C(=C/c2ccccc2[N+](=O)[O-])N1 COCc1cc(C)nc(NCCO)c1C#N ZINC000013602201 58/65/06/343586506 BLRVNAFDYSSPAX-UHFFFAOYSA-N 0 221.26 BC 0.812 0 Mild ref BCEARN COCc1cc(C)nc(NCCO)c1C#N COc1ccccc1/C=C1\NC(=O)NC1=O ZINC000013896253 31/53/02/175315302 YOFKIDCKEYKPNO-VURMDHGXSA-N 0 218.212 BC 0.875 1 Anodyne mid BCAAMN COc1ccccc1/C=C1\NC(=O)NC1=O COc1ccccc1/C=C1\NC(=O)NC1=O ZINC000013896253 31/53/01/175315301 YOFKIDCKEYKPNO-VURMDHGXSA-N -1 218.212 BC 0.875 0 Anodyne ref BCAARM COc1ccccc1/C=C1\NC(=O)[N-]C1=O COc1cc([N+](=O)[O-])cc(-c2nnn[nH]2)c1O ZINC000013913985 01/79/12/175017912 QGSDWYYWVGDZDH-UHFFFAOYSA-N -2 237.175 BC 0.489 3 Bother high BCBAHL COc1cc([N+](=O)[O-])cc(-c2nn[n-]n2)c1[O-] COc1cc([N+](=O)[O-])cc(-c2nnn[nH]2)c1O ZINC000013913985 01/79/08/175017908 QGSDWYYWVGDZDH-UHFFFAOYSA-N 0 237.175 BC 0.489 2 Bother low BCBALN COc1cc([N+](=O)[O-])cc(-c2nn[nH]n2)c1O COc1cc([N+](=O)[O-])cc(-c2nnn[nH]2)c1O ZINC000013913985 01/79/06/175017906 QGSDWYYWVGDZDH-UHFFFAOYSA-N -1 237.175 BC 0.489 0 Bother ref BCBARM COc1cc([N+](=O)[O-])cc(-c2nn[nH]n2)c1[O-] COc1cccc(/C=C2\NC(=O)NC2=O)c1 ZINC000013941780 24/10/53/175241053 NQFUGCKNXNBJNF-TWGQIWQCSA-N 0 218.212 BC 0.875 1 Anodyne mid BCAAMN COc1cccc(/C=C2\NC(=O)NC2=O)c1 COc1cccc(/C=C2\NC(=O)NC2=O)c1 ZINC000013941780 24/10/49/175241049 NQFUGCKNXNBJNF-TWGQIWQCSA-N -1 218.212 BC 0.875 0 Anodyne ref BCAARM COc1cccc(/C=C2\NC(=O)[N-]C2=O)c1 CCc1ccc2c(c1)/C(=N/NC(N)=S)C(=O)N2 ZINC000015015509 41/48/75/384414875 NHJSGBMZQDSAKL-UHFFFAOYSA-N 0 248.311 BC 0.738 0 Mild ref BCEARN CCc1ccc2c(c1)/C(=N/NC(N)=S)C(=O)N2 COc1ccccc1-n1c(C)cc(=O)[nH]c1=O ZINC000015019008 31/27/74/175312774 QQXYKVOKHUJVTA-UHFFFAOYSA-N 0 232.239 BC 0.843 0 Anodyne ref BCAARN COc1ccccc1-n1c(C)cc(=O)[nH]c1=O O=C1NC(=S)NC(=O)C1=CNc1ccccc1 ZINC000017195940 92/20/19/342922019 HXBBOMISRZLMIX-UHFFFAOYSA-N -1 247.279 BC 0.513 1 Clean mid BCCAMM O=C1[N-]C(=S)NC(=O)C1=CNc1ccccc1 O=C1NC(=S)NC(=O)C1=CNc1ccccc1 ZINC000017195940 92/20/18/342922018 HXBBOMISRZLMIX-UHFFFAOYSA-N 0 247.279 BC 0.513 0 Clean ref BCCARN O=C1NC(=S)NC(=O)C1=CNc1ccccc1 O=[N+]([O-])c1ccc(N2CCOCC2)nc1 ZINC000019638656 32/60/06/132326006 FYJXIPHXFGFEGT-UHFFFAOYSA-N 0 209.205 BC 0.826 0 Bother ref BCBARN O=[N+]([O-])c1ccc(N2CCOCC2)nc1 COc1ccc(/C=C2/C(=O)N=C(N)N2C)cc1 ZINC000019851380 04/80/53/175048053 BHLCDHPKQGCPCT-YFHOEESVSA-N 0 231.255 BC 0.823 0 Anodyne ref BCAARN COc1ccc(C=C2C(=O)N=C(N)N2C)cc1 CN1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000023076543 08/06/43/173080643 VMUAXPIJCUSMCF-UHFFFAOYSA-N 1 233.315 BC 0.872 1 Anodyne mid BCAAMO C[NH+]1CCN(CC(=O)Nc2ccccc2)CC1 CN1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000023076543 08/06/40/173080640 VMUAXPIJCUSMCF-UHFFFAOYSA-N 0 233.315 BC 0.872 0 Anodyne ref BCAARN CN1CCN(CC(=O)Nc2ccccc2)CC1 Cc1cc(=O)[nH]c(=O)n1-c1cccc(O)c1 ZINC000038673757 11/76/34/188117634 PYUIILCFLRZVEB-UHFFFAOYSA-N 0 218.212 BC 0.54 0 Anodyne ref BCAARN Cc1cc(=O)[nH]c(=O)n1-c1cccc(O)c1 Cc1cc2c(=O)n(CC(N)=O)cnc2s1 ZINC000089695856 92/73/14/362927314 PZCPXUVEOAHWBT-UHFFFAOYSA-N 0 223.257 BC 0.252 0 Anodyne ref BCABRN Cc1cc2c(=O)n(CC(N)=O)cnc2s1 COc1ccc(/C=C2/NC(=O)NC2=O)cc1O ZINC000096006177 04/84/59/175048459 CVEPZWFFKVWAMM-QPJJXVBHSA-N 0 234.211 BC 0.581 1 Anodyne mid BCAAMN COc1ccc(/C=C2/NC(=O)NC2=O)cc1O COc1ccc(/C=C2/NC(=O)NC2=O)cc1O ZINC000096006177 04/84/58/175048458 CVEPZWFFKVWAMM-QPJJXVBHSA-N -1 234.211 BC 0.581 0 Anodyne ref BCAARM COc1ccc(/C=C2/NC(=O)[N-]C2=O)cc1O NC(=S)N/N=C1\C(=O)Nc2ccc(F)cc21 ZINC000100181431 31/71/39/181317139 ZLRNNWMQFVMCEI-UHFFFAOYSA-N 0 238.247 BC 0.315 0 Mild ref BCEARN NC(=S)N/N=C1\C(=O)Nc2ccc(F)cc21 aggregator O=C1NC(=O)/C(=C/c2ccc(O)c([N+](=O)[O-])c2)N1 ZINC000100253436 06/27/11/191062711 BDFAXSQHSAMCFA-UTCJRWHESA-N 0 249.182 BC 0.481 2 Bother low BCBALN O=C1NC(=O)/C(=C/c2ccc(O)c([N+](=O)[O-])c2)N1 O=C1NC(=O)/C(=C/c2ccc(O)c([N+](=O)[O-])c2)N1 ZINC000100253436 06/27/09/191062709 BDFAXSQHSAMCFA-UTCJRWHESA-N -1 249.182 BC 0.481 1 Bother mid BCBAMM O=C1NC(=O)/C(=C/c2ccc([O-])c([N+](=O)[O-])c2)N1 O=C1NC(=O)/C(=C/c2ccc(O)c([N+](=O)[O-])c2)N1 ZINC000100253436 06/27/06/191062706 BDFAXSQHSAMCFA-UTCJRWHESA-N -2 249.182 BC 0.481 0 Bother ref BCBARL O=C1[N-]C(=O)/C(=C/c2ccc([O-])c([N+](=O)[O-])c2)N1 CN1C(=O)/C(=N\O)c2cc([N+](=O)[O-])ccc21 ZINC000101018237 95/76/60/172957660 IWWUOZUREHIHNR-NTMALXAHSA-N -1 221.172 BC 0.75 0 Mild ref BCEARM CN1C(=O)/C(=N\[O-])c2cc([N+](=O)[O-])ccc21 NC(=S)N/N=C/C(=O)c1ccccc1 ZINC000101018557 31/77/83/181317783 XCBDBOGUXHAHRL-IZZDOVSWSA-N 0 207.258 BC 0.688 0 Mild ref BCEARN NC(=S)N/N=C/C(=O)c1ccccc1 NC(=O)CN1C(=O)COc2c(Cl)cccc21 ZINC000226092946 45/37/96/132453796 RURCXJGEZACNFK-UHFFFAOYSA-N 0 240.646 BC 0.551 0 Anodyne ref BCABRN NC(=O)CN1C(=O)COc2c(Cl)cccc21 CSc1nc(=O)c2c3ccccc3nc[n+]2[nH]1 ZINC000588225583 65/02/42/346650242 AFBSDEATTMPLKP-UHFFFAOYSA-O 0 245.287 BC 0.779 0 Bother ref BCBBRN CSc1n[n+]2cnc3ccccc3c2c(=O)[n-]1 CCOC(=O)CSc1ncc(F)c(NC)n1 ZINC000588229331 66/96/39/411669639 AYLRRNQCPMFZSN-UHFFFAOYSA-N 0 245.279 BC 1.313 0 Anodyne ref BCABRN CCOC(=O)CSc1ncc(F)c(NC)n1 Oc1ncc(F)c(N=c2cc[nH]cc2)n1 ZINC000588229345 65/02/11/346650211 XGGRRWMOQJPGSD-UHFFFAOYSA-N -1 206.18 BC 0.882 3 Anodyne high BCABHM O=c1ncc(F)c(Nc2ccncc2)[n-]1 Oc1ncc(F)c(N=c2cc[nH]cc2)n1 ZINC000588229345 65/02/10/346650210 XGGRRWMOQJPGSD-UHFFFAOYSA-N 0 206.18 BC 0.882 1 Anodyne mid BCABMN O=c1ncc(F)c(Nc2ccncc2)[nH]1 Oc1ncc(F)c(N=c2cc[nH]cc2)n1 ZINC000588229345 65/02/09/346650209 XGGRRWMOQJPGSD-UHFFFAOYSA-N 1 206.18 BC 0.882 0 Anodyne ref BCABRO O=c1ncc(F)c(Nc2cc[nH+]cc2)[nH]1