CC1=C2[C@@H]3OC(=O)[C@H](C)[C@@H]3CC[C@]2(C)C=CC1=O ZINC000000000707 09/12/91/168091291 XJHDMGJURBVLLE-FMBSFYNOSA-N 0 246.306 BE 2.42 0 Mild ref BEEARN CC1=C2[C@@H]3OC(=O)[C@H](C)[C@@H]3CC[C@]2(C)C=CC1=O in-vitro O=C(Nc1ccc(Cl)cc1)c1cc[nH]n1 ZINC000000028525 35/46/41/182354641 NQZSOSXQUPMCTP-UHFFFAOYSA-N 0 221.647 BE 2.315 0 Anodyne ref BEAARN O=C(Nc1ccc(Cl)cc1)c1cc[nH]n1 O=C(Nc1nccs1)c1ccccc1[N+](=O)[O-] ZINC000000031352 40/18/28/182401828 WJDNQCITOMEIGG-UHFFFAOYSA-N 0 249.251 BE 2.304 0 Bother ref BEBARN O=C(Nc1nccs1)c1ccccc1[N+](=O)[O-] O=C(O)Cc1ccc(-n2cccc2)cc1 ZINC000000033691 81/95/86/383819586 KCZGWRZYJZGMQW-UHFFFAOYSA-N -1 201.225 BE 2.104 0 Anodyne ref BEAARM O=C([O-])Cc1ccc(-n2cccc2)cc1 Nc1ccccc1N1C(=O)c2ccccc2C1=O ZINC000000035800 67/06/35/342670635 OAJOEZGYYINOJB-UHFFFAOYSA-N 0 238.246 BE 2.069 0 Anodyne ref BEAARN Nc1ccccc1N1C(=O)c2ccccc2C1=O CC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000000040374 35/23/54/369352354 PMJUHOMXJHGRKV-UHFFFAOYSA-N 0 220.297 BE 2.457 0 Mild ref BEEARN CC(=O)Nc1sc2c(c1C#N)CCCC2 O=C(O)[C@@H]1CCCCN1Cc1ccccc1 ZINC000000041051 67/09/86/342670986 FEUCBQVXYVZGCM-LBPRGKRZSA-N 0 219.284 BE 2.126 1 Anodyne mid BEAAMN O=C([O-])[C@@H]1CCCC[N@H+]1Cc1ccccc1 O=C(O)[C@@H]1CCCCN1Cc1ccccc1 ZINC000000041051 67/09/84/342670984 FEUCBQVXYVZGCM-LBPRGKRZSA-N 0 219.284 BE 2.126 0 Anodyne ref BEAARN O=C([O-])[C@@H]1CCCC[N@@H+]1Cc1ccccc1 O=C(O)[C@H]1CCCCN1Cc1ccccc1 ZINC000000041053 67/09/61/342670961 FEUCBQVXYVZGCM-GFCCVEGCSA-N 0 219.284 BE 2.126 1 Anodyne mid BEAAMN O=C([O-])[C@H]1CCCC[N@H+]1Cc1ccccc1 O=C(O)[C@H]1CCCCN1Cc1ccccc1 ZINC000000041053 67/09/60/342670960 FEUCBQVXYVZGCM-GFCCVEGCSA-N 0 219.284 BE 2.126 0 Anodyne ref BEAARN O=C([O-])[C@H]1CCCC[N@@H+]1Cc1ccccc1 O=C(Nc1cccnc1)c1ccccc1[N+](=O)[O-] ZINC000000043538 38/48/37/182384837 PTYIYRPPHKUIQT-UHFFFAOYSA-N 0 243.222 BE 2.242 0 Bother ref BEBARN O=C(Nc1cccnc1)c1ccccc1[N+](=O)[O-] O=C(CS)Nc1ccccc1Cl ZINC000000043854 00/55/04/182005504 YWEROQPLZVORDW-UHFFFAOYSA-N 0 201.678 BE 2.208 0 Mild ref BEEARN O=C(CS)Nc1ccccc1Cl Cc1ccc(NC(=O)c2cc[nH]n2)c(C)c1 ZINC000000045765 67/13/11/342671311 VXDDFNADZKVOOJ-UHFFFAOYSA-N 0 215.256 BE 2.279 0 Anodyne ref BEAARN Cc1ccc(NC(=O)c2cc[nH]n2)c(C)c1 CCOC(=O)Cc1nc2ccccc2nc1C ZINC000000052997 23/73/30/170237330 ZTJBBLDJQXJLCI-UHFFFAOYSA-N 0 230.267 BE 2.044 0 Anodyne ref BEAARN CCOC(=O)Cc1nc2ccccc2nc1C O=C(Nc1cccnc1)c1ccccc1O ZINC000000053637 38/50/73/182385073 CIDPBVFYISXDHA-UHFFFAOYSA-N -1 214.224 BE 2.039 1 Anodyne mid BEAAMM O=C(Nc1cccnc1)c1ccccc1[O-] O=C(Nc1cccnc1)c1ccccc1O ZINC000000053637 38/50/72/182385072 CIDPBVFYISXDHA-UHFFFAOYSA-N 0 214.224 BE 2.039 0 Anodyne ref BEAARN O=C(Nc1cccnc1)c1ccccc1O O=C(c1ccc([N+](=O)[O-])cc1)N1CCCCC1 ZINC000000053931 09/77/63/344097763 CAKBAYWOHIUVHR-UHFFFAOYSA-N 0 234.255 BE 2.221 0 Bother ref BEBARN O=C(c1ccc([N+](=O)[O-])cc1)N1CCCCC1 NCc1oc(-c2ccccc2)cc1C(=O)O ZINC000000056361 67/19/38/342671938 WSCPCRGXYRNSAW-UHFFFAOYSA-N -1 217.224 BE 2.103 1 Anodyne mid BEAAMM NCc1oc(-c2ccccc2)cc1C(=O)[O-] NCc1oc(-c2ccccc2)cc1C(=O)O ZINC000000056361 67/19/37/342671937 WSCPCRGXYRNSAW-UHFFFAOYSA-N 0 217.224 BE 2.103 0 Anodyne ref BEAARN [NH3+]Cc1oc(-c2ccccc2)cc1C(=O)[O-] C=CCn1c([C@H](O)c2ccccc2)n[nH]c1=S ZINC000000056375 22/49/57/188224957 LHCIBNVRPCQANT-SNVBAGLBSA-N -1 247.323 BE 2.208 1 Mild mid BEEAMM C=CCn1c([C@H](O)c2ccccc2)n[n-]c1=S C=CCn1c([C@H](O)c2ccccc2)n[nH]c1=S ZINC000000056375 22/49/55/188224955 LHCIBNVRPCQANT-SNVBAGLBSA-N 0 247.323 BE 2.208 0 Mild ref BEEARN C=CCn1c([C@H](O)c2ccccc2)n[nH]c1=S C=CCn1c([C@@H](O)c2ccccc2)n[nH]c1=S ZINC000000056376 89/09/81/355890981 LHCIBNVRPCQANT-JTQLQIEISA-N -1 247.323 BE 2.208 1 Mild mid BEEAMM C=CCn1c([C@@H](O)c2ccccc2)n[n-]c1=S C=CCn1c([C@@H](O)c2ccccc2)n[nH]c1=S ZINC000000056376 89/09/75/355890975 LHCIBNVRPCQANT-JTQLQIEISA-N 0 247.323 BE 2.208 0 Mild ref BEEARN C=CCn1c([C@@H](O)c2ccccc2)n[nH]c1=S COC(=O)c1ccc2cc(C(=O)OC)ccc2c1 ZINC000000057153 82/09/26/383820926 GYUVMLBYMPKZAZ-UHFFFAOYSA-N 0 244.246 BE 2.413 0 Anodyne ref BEAARN COC(=O)c1ccc2cc(C(=O)OC)ccc2c1 C[C@H](N)C(=O)Nc1ccc2ccccc2c1 ZINC000000057183 67/19/90/342671990 RQHPADKWNYTHOH-VIFPVBQESA-N 0 214.268 BE 2.125 3 Anodyne high BEAAHN C[C@H](N)C(=O)Nc1ccc2ccccc2c1 in-vitro C[C@H](N)C(=O)Nc1ccc2ccccc2c1 ZINC000000057183 67/19/88/342671988 RQHPADKWNYTHOH-VIFPVBQESA-N 1 214.268 BE 2.125 0 Anodyne ref BEAARO C[C@H]([NH3+])C(=O)Nc1ccc2ccccc2c1 in-vitro C[C@@H](N)C(=O)Nc1ccc2ccccc2c1 ZINC000000057184 82/08/31/383820831 RQHPADKWNYTHOH-SECBINFHSA-N 0 214.268 BE 2.125 3 Anodyne high BEAAHN C[C@@H](N)C(=O)Nc1ccc2ccccc2c1 C[C@@H](N)C(=O)Nc1ccc2ccccc2c1 ZINC000000057184 82/08/25/383820825 RQHPADKWNYTHOH-SECBINFHSA-N 1 214.268 BE 2.125 0 Anodyne ref BEAARO C[C@@H]([NH3+])C(=O)Nc1ccc2ccccc2c1 Cc1cc(=O)oc2cc(O)c(Cl)cc12 ZINC000000057901 67/21/74/342672174 JTXAGHXRIBLWES-UHFFFAOYSA-N 0 210.616 BE 2.46 2 Anodyne low BEAALN Cc1cc(=O)oc2cc(O)c(Cl)cc12 in-vitro Cc1cc(=O)oc2cc(O)c(Cl)cc12 ZINC000000057901 67/21/73/342672173 JTXAGHXRIBLWES-UHFFFAOYSA-N -1 210.616 BE 2.46 0 Anodyne ref BEAARM Cc1cc(=O)oc2cc([O-])c(Cl)cc12 in-vitro CC(=O)Oc1ccc2c(C)cc(=O)oc2c1 ZINC000000057912 58/26/75/187582675 HXVZGASCDAGAPS-UHFFFAOYSA-N 0 218.208 BE 2.027 0 Anodyne ref BEAARN CC(=O)Oc1ccc2c(C)cc(=O)oc2c1 in-man endogenous O=c1oc2ccccc2c(Cl)c1[N+](=O)[O-] ZINC000000058071 44/63/08/384446308 OFLRQEKOAGDHKT-UHFFFAOYSA-N 0 225.587 BE 2.355 0 Bother ref BEBARN O=c1oc2ccccc2c(Cl)c1[N+](=O)[O-] O=C1C=CC(=O)N1c1cc(Cl)ccc1Cl ZINC000000061818 67/23/60/342672360 WGGQQECAPZLVDV-UHFFFAOYSA-N 0 242.061 BE 2.423 0 Anodyne ref BEAARN O=C1C=CC(=O)N1c1cc(Cl)ccc1Cl Cc1ccc(C)c(NC(=O)CCC(=O)O)c1 ZINC000000064847 09/90/44/188099044 ZBAQXQRTGNBUJL-UHFFFAOYSA-N -1 221.256 BE 2.107 0 Anodyne ref BEAARM Cc1ccc(C)c(NC(=O)CCC(=O)[O-])c1 Cc1ccc(NC(=O)CCC(=O)O)cc1C ZINC000000064848 67/24/76/342672476 IOPDCIWZBHGMOA-UHFFFAOYSA-N -1 221.256 BE 2.107 0 Anodyne ref BEAARM Cc1ccc(NC(=O)CCC(=O)[O-])cc1C CCOC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000000068082 29/77/22/170297722 OAXJZQMFWBIRKF-UHFFFAOYSA-N 0 209.201 BE 2.08 0 Bother ref BEBARN CCOC(=O)c1ccc([N+](=O)[O-])c(C)c1 CCOC(=O)Nc1ccccc1C(=O)OC ZINC000000068768 24/39/88/170243988 XSEONJBZTZZGCV-UHFFFAOYSA-N 0 223.228 BE 2.042 0 Anodyne ref BEAARN CCOC(=O)Nc1ccccc1C(=O)OC CC(=O)c1cc2c(C)cc(=O)oc2c(C)c1O ZINC000000069974 82/19/83/383821983 ZHNUBTVEXMINJU-UHFFFAOYSA-N -1 232.235 BE 2.318 1 Anodyne mid BEAAMM CC(=O)c1cc2c(C)cc(=O)oc2c(C)c1[O-] CC(=O)c1cc2c(C)cc(=O)oc2c(C)c1O ZINC000000069974 82/19/79/383821979 ZHNUBTVEXMINJU-UHFFFAOYSA-N 0 232.235 BE 2.318 0 Anodyne ref BEAARN CC(=O)c1cc2c(C)cc(=O)oc2c(C)c1O CCOC(=O)c1cncc(Br)c1 ZINC000000071423 30/22/50/170302250 PCPIANOJERKFJI-UHFFFAOYSA-N 0 230.061 BE 2.021 0 Anodyne ref BEAARN CCOC(=O)c1cncc(Br)c1 Nc1ncnc2oc(-c3ccccc3)cc12 ZINC000000071716 82/14/05/383821405 KLUPXPVKDBPOMJ-UHFFFAOYSA-N 0 211.224 BE 2.472 0 Anodyne ref BEAARN Nc1ncnc2oc(-c3ccccc3)cc12 O=C(Nc1ccccn1)c1ccccc1O ZINC000000072642 38/27/84/182382784 RAEVIQJZJBWVCX-UHFFFAOYSA-N -1 214.224 BE 2.039 1 Anodyne mid BEAAMM O=C(Nc1ccccn1)c1ccccc1[O-] O=C(Nc1ccccn1)c1ccccc1O ZINC000000072642 38/27/81/182382781 RAEVIQJZJBWVCX-UHFFFAOYSA-N 0 214.224 BE 2.039 0 Anodyne ref BEAARN O=C(Nc1ccccn1)c1ccccc1O C=CCn1c(N)c(C(=O)OCC)sc1=S ZINC000000075274 89/09/67/355890967 FVAURYNWNASSIF-UHFFFAOYSA-N 0 244.341 BE 2.224 0 Mild ref BEEARN C=CCn1c(N)c(C(=O)OCC)sc1=S O=[N+]([O-])c1cccc(C2OCCCO2)c1 ZINC000000075330 94/45/33/182944533 VQZDEWTWLOZYBX-UHFFFAOYSA-N 0 209.201 BE 2.03 0 Bother ref BEBARN O=[N+]([O-])c1cccc(C2OCCCO2)c1 Nc1ncnc2sc3c(c12)CCCC3 ZINC000000078174 81/08/70/181810870 QXPQVUQBEBHHQP-UHFFFAOYSA-N 0 205.286 BE 2.152 0 Anodyne ref BEAARN Nc1ncnc2sc3c(c12)CCCC3 Nc1nc2c(s1)CCc1ccccc1-2 ZINC000000079899 67/29/72/342672972 RKFXIXZWTWCVBR-UHFFFAOYSA-N 0 202.282 BE 2.491 0 Anodyne ref BEAARN Nc1nc2c(s1)CCc1ccccc1-2 COC(=O)COc1ccc(Br)cc1 ZINC000000080649 82/37/48/383823748 UDAVOUGCAYAMAU-UHFFFAOYSA-N 0 245.072 BE 2.001 0 Anodyne ref BEAARN COC(=O)COc1ccc(Br)cc1 N#Cc1ccc(CSc2nnc(N)s2)cc1 ZINC000000084268 11/12/08/181111208 CVKQYFVIIWAGRP-UHFFFAOYSA-N 0 248.336 BE 2.284 0 Mild ref BEEARN N#Cc1ccc(CSc2nnc(N)s2)cc1 Cc1nc(Cl)c(C#N)c(C)c1[N+](=O)[O-] ZINC000000089330 98/59/65/179985965 JVWPZCCMTFKYHN-UHFFFAOYSA-N 0 211.608 BE 2.132 0 Mild ref BEEARN Cc1nc(Cl)c(C#N)c(C)c1[N+](=O)[O-] Cc1cc(N)c(O)c(-n2nc3ccccc3n2)c1 ZINC000000092687 10/43/47/178104347 WZIPHCOCDNRROA-UHFFFAOYSA-N 0 240.266 BE 2.017 0 Anodyne ref BEAARN Cc1cc(N)c(O)c(-n2nc3ccccc3n2)c1 Cc1ccc(N2C(=O)C=CC2=O)cc1Cl ZINC000000094135 67/40/05/342674005 XZEWOPDHALLILR-UHFFFAOYSA-N 0 221.643 BE 2.078 0 Anodyne ref BEAARN Cc1ccc(N2C(=O)C=CC2=O)cc1Cl Cc1c(Cl)cccc1N1C(=O)C=CC1=O ZINC000000096614 67/41/30/342674130 XQCSESYNWRKWCB-UHFFFAOYSA-N 0 221.643 BE 2.078 0 Anodyne ref BEAARN Cc1c(Cl)cccc1N1C(=O)C=CC1=O Cc1ccc(Cl)cc1N1C(=O)C=CC1=O ZINC000000096620 67/40/19/342674019 USHHDORZAHXENN-UHFFFAOYSA-N 0 221.643 BE 2.078 0 Anodyne ref BEAARN Cc1ccc(Cl)cc1N1C(=O)C=CC1=O O=C1C=CC(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000000096627 67/41/60/342674160 PJBXBDSTURWRBO-UHFFFAOYSA-N 0 242.061 BE 2.423 0 Anodyne ref BEAARN O=C1C=CC(=O)N1c1ccc(Cl)c(Cl)c1 O=C1C=CC(=O)N1c1ccc(Cl)cc1Cl ZINC000000096629 67/41/24/342674124 BZUKGARCPDEBLG-UHFFFAOYSA-N 0 242.061 BE 2.423 0 Anodyne ref BEAARN O=C1C=CC(=O)N1c1ccc(Cl)cc1Cl O=C1C=CC(=O)N1c1cccc(Cl)c1Cl ZINC000000096633 67/42/00/342674200 YSVTWQFPUVGTDE-UHFFFAOYSA-N 0 242.061 BE 2.423 0 Anodyne ref BEAARN O=C1C=CC(=O)N1c1cccc(Cl)c1Cl N=C(N)SCc1ccccc1Cl ZINC000000096711 19/24/48/181192448 SFKYKNIIEFCNBX-UHFFFAOYSA-N 1 200.694 BE 2.467 0 Anodyne ref BEAARO NC(=[NH2+])SCc1ccccc1Cl in-vivo O=C1C=CC(=O)N1c1cccc(C(F)(F)F)c1 ZINC000000097218 67/42/74/342674274 DQGGHYHHYCKIMR-UHFFFAOYSA-N 0 241.168 BE 2.135 0 Anodyne ref BEAARN O=C1C=CC(=O)N1c1cccc(C(F)(F)F)c1 CC(C)c1ccc(N2C(=O)C=CC2=O)cc1 ZINC000000097254 60/30/70/167603070 CGGDDXJVSGFQON-UHFFFAOYSA-N 0 215.252 BE 2.239 0 Anodyne ref BEAARN CC(C)c1ccc(N2C(=O)C=CC2=O)cc1 O=C1C=CC(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000000099473 67/44/28/342674428 OSSFTHGZMNLASE-UHFFFAOYSA-N 0 242.061 BE 2.423 0 Anodyne ref BEAARN O=C1C=CC(=O)N1c1cc(Cl)cc(Cl)c1 CC(C)(C)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000000101910 62/77/46/166627746 BMADOZDALQJUFQ-UHFFFAOYSA-N 0 222.244 BE 2.123 0 Bother ref BEBARN CC(C)(C)NC(=O)c1ccccc1[N+](=O)[O-] c1ccc(-c2csc(N3CCNCC3)n2)cc1 ZINC000000105414 38/23/63/183382363 MNLMZCDODDGFAM-UHFFFAOYSA-N 0 245.351 BE 2.22 3 Anodyne high BEAAHN c1ccc(-c2csc(N3CCNCC3)n2)cc1 c1ccc(-c2csc(N3CCNCC3)n2)cc1 ZINC000000105414 38/23/62/183382362 MNLMZCDODDGFAM-UHFFFAOYSA-N 1 245.351 BE 2.22 0 Anodyne ref BEAARO c1ccc(-c2csc(N3CC[NH2+]CC3)n2)cc1 C[C@H]1Cn2c(nnc2-c2cccc(N)c2)S1 ZINC000000105604 39/22/32/177392232 VLBWKJSSFSOVEN-ZETCQYMHSA-N 0 232.312 BE 2.021 0 Anodyne ref BEAARN C[C@H]1Cn2c(nnc2-c2cccc(N)c2)S1 C[C@@H]1Cn2c(nnc2-c2cccc(N)c2)S1 ZINC000000105608 82/69/44/383826944 VLBWKJSSFSOVEN-SSDOTTSWSA-N 0 232.312 BE 2.021 0 Anodyne ref BEAARN C[C@@H]1Cn2c(nnc2-c2cccc(N)c2)S1 C[C@H]1CCCCN1C(=O)c1ccc(N)cc1 ZINC000000106669 07/37/74/177073774 IBXPEPBLFYRMOV-JTQLQIEISA-N 0 218.3 BE 2.283 0 Anodyne ref BEAARN C[C@H]1CCCCN1C(=O)c1ccc(N)cc1 C[C@@H]1CCCCN1C(=O)c1ccc(N)cc1 ZINC000000106673 06/95/81/176069581 IBXPEPBLFYRMOV-SNVBAGLBSA-N 0 218.3 BE 2.283 0 Anodyne ref BEAARN C[C@@H]1CCCCN1C(=O)c1ccc(N)cc1 Cc1cccc(NC(=O)c2ccccc2N)n1 ZINC000000106735 45/28/14/188452814 IVIARVLADGVLNZ-UHFFFAOYSA-N 0 227.267 BE 2.225 0 Anodyne ref BEAARN Cc1cccc(NC(=O)c2ccccc2N)n1 Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000000107739 31/26/09/132312609 CNVOJNRNRNAOOP-UHFFFAOYSA-N 0 246.232 BE 2.124 0 Anodyne ref BEAARN Nc1cc(C(F)(F)F)ccc1N1CCOCC1 CCOc1cc(C=O)cc(Cl)c1OC(C)=O ZINC000000107827 52/12/21/170521221 JPTWDAWHCXCPHK-UHFFFAOYSA-N 0 242.658 BE 2.477 0 Anodyne ref BEAARN CCOc1cc(C=O)cc(Cl)c1OC(C)=O O=C(O)[C@H](c1ccccc1)n1cccc1 ZINC000000111684 53/06/88/182530688 FNRJAIIHCKGTCV-NSHDSACASA-N -1 201.225 BE 2.162 0 Anodyne ref BEAARM O=C([O-])[C@H](c1ccccc1)n1cccc1 O=C(O)[C@@H](c1ccccc1)n1cccc1 ZINC000000111687 67/49/75/342674975 FNRJAIIHCKGTCV-LLVKDONJSA-N -1 201.225 BE 2.162 0 Anodyne ref BEAARM O=C([O-])[C@@H](c1ccccc1)n1cccc1 c1ccc2c(c1)CCC[C@H]2C1=NCCN1 ZINC000000113426 82/74/74/383827474 BYJAVTDNIXVSPW-GFCCVEGCSA-N 1 200.285 BE 2.108 0 Anodyne ref BEAARO c1ccc2c(c1)CCC[C@H]2C1=[NH+]CCN1 fda c1ccc2c(c1)CCC[C@@H]2C1=NCCN1 ZINC000000113428 42/46/27/387424627 BYJAVTDNIXVSPW-LBPRGKRZSA-N 1 200.285 BE 2.108 0 Anodyne ref BEAARO c1ccc2c(c1)CCC[C@@H]2C1=[NH+]CCN1 fda O=C1C(Cl)=C(Cl)C(=O)N1c1ccccc1 ZINC000000114916 67/50/38/342675038 CZLKFADFZAWWBC-UHFFFAOYSA-N 0 242.061 BE 2.249 0 Anodyne ref BEAARN O=C1C(Cl)=C(Cl)C(=O)N1c1ccccc1 O=C1Nc2ccccc2C1(Cl)Cl ZINC000000118883 82/46/15/182824615 WGGLCBPNOIWKDL-UHFFFAOYSA-N 0 202.04 BE 2.269 0 Anodyne ref BEAARN O=C1Nc2ccccc2C1(Cl)Cl CCOC(=O)c1sc(-n2cccc2)nc1C ZINC000000121359 31/05/52/170310552 WZMFHZGFBDLDTG-UHFFFAOYSA-N 0 236.296 BE 2.419 0 Anodyne ref BEAARN CCOC(=O)c1sc(-n2cccc2)nc1C CN(C)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000000122197 23/56/55/385235655 NMLRNMMRKWXQLD-UHFFFAOYSA-N 0 245.076 BE 2.423 0 Bother ref BEBARN CN(C)c1ccc(Br)c([N+](=O)[O-])c1 COc1ccc(-n2nc3ccc(N)cc3n2)cc1 ZINC000000123074 04/47/52/175044752 WNZKUNXGRZGIFX-UHFFFAOYSA-N 0 240.266 BE 2.011 0 Anodyne ref BEAARN COc1ccc(-n2nc3ccc(N)cc3n2)cc1 Nc1cccc(NC(=O)c2ccco2)c1 ZINC000000123098 74/61/11/181746111 DNCIKRMVVUFNGX-UHFFFAOYSA-N 0 202.213 BE 2.114 0 Anodyne ref BEAARN Nc1cccc(NC(=O)c2ccco2)c1 O=C(O)CCC(=O)Nc1ccc(Cl)cc1 ZINC000000123594 83/01/97/383830197 UPSNSRKMOHOEEO-UHFFFAOYSA-N -1 227.647 BE 2.143 0 Anodyne ref BEAARM O=C([O-])CCC(=O)Nc1ccc(Cl)cc1 O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCCC1 ZINC000000124762 23/67/71/385236771 DXRDBEPLCGUYCF-VMPITWQZSA-N 0 246.266 BE 2.23 0 Bother ref BEBARN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCCC1 CC(=O)N1CCc2cc(Br)ccc21 ZINC000000124999 27/24/08/188272408 WQKQAIXOTCPWFE-UHFFFAOYSA-N 0 240.1 BE 2.358 0 Anodyne ref BEAARN CC(=O)N1CCc2cc(Br)ccc21 C[C@H]1CCCCN1C(=O)c1ccccc1N ZINC000000128826 07/39/42/177073942 OGPFNQSIZKVIEQ-JTQLQIEISA-N 0 218.3 BE 2.283 0 Anodyne ref BEAARN C[C@H]1CCCCN1C(=O)c1ccccc1N C[C@@H]1CCCCN1C(=O)c1ccccc1N ZINC000000128827 06/91/40/176069140 OGPFNQSIZKVIEQ-SNVBAGLBSA-N 0 218.3 BE 2.283 0 Anodyne ref BEAARN C[C@@H]1CCCCN1C(=O)c1ccccc1N CCOC(=O)c1nc2ccccc2s1 ZINC000000128851 30/78/32/170307832 VLQLCEXNNGQELL-UHFFFAOYSA-N 0 207.254 BE 2.473 0 Anodyne ref BEAARN CCOC(=O)c1nc2ccccc2s1 O=C1C=CC(=O)N1c1ccc(C(F)(F)F)cc1 ZINC000000130757 67/65/01/342676501 RFSCHBMMSVGJAY-UHFFFAOYSA-N 0 241.168 BE 2.135 0 Anodyne ref BEAARN O=C1C=CC(=O)N1c1ccc(C(F)(F)F)cc1 CCOC(=O)c1cnn(-c2ccccc2)c1C ZINC000000131838 30/38/47/170303847 XYIOIOHRWLZCDM-UHFFFAOYSA-N 0 230.267 BE 2.357 0 Anodyne ref BEAARN CCOC(=O)c1cnn(-c2ccccc2)c1C in-vitro CCc1ccc(C(=O)CCC(=O)O)cc1 ZINC000000132847 67/62/65/342676265 ZLHLIRYSBPOFQB-UHFFFAOYSA-N -1 206.241 BE 2.296 0 Anodyne ref BEAARM CCc1ccc(C(=O)CCC(=O)[O-])cc1 COC(=O)c1c(-c2ccccc2)noc1C ZINC000000137798 83/38/42/383833842 VJCQAWFSNYNJLG-UHFFFAOYSA-N 0 217.224 BE 2.437 0 Anodyne ref BEAARN COC(=O)c1c(-c2ccccc2)noc1C CN(C)/C=C/C(=O)/C=C/c1cccs1 ZINC000000142473 34/95/87/172349587 VZONDMKKYNJRQF-BSWSSELBSA-N 0 207.298 BE 2.406 0 Mild ref BEEARN CN(C)/C=C/C(=O)/C=C/c1cccs1 COC(=O)c1cc(Cl)c(O)c(Cl)c1 ZINC000000149791 83/38/73/383833873 UKMOOQFHBGTLAO-UHFFFAOYSA-N -1 221.039 BE 2.486 0 Anodyne ref BEAARM COC(=O)c1cc(Cl)c([O-])c(Cl)c1 C/C=C/c1ccc(OCC(=O)O)c(OC)c1 ZINC000000150396 09/88/97/188098897 UORQJKKOBXSGRG-ONEGZZNKSA-N -1 222.24 BE 2.192 0 Anodyne ref BEAARM C/C=C/c1ccc(OCC(=O)[O-])c(OC)c1 in-vitro biogenic COc1cccc(-c2csc(N)n2)c1 ZINC000000150400 23/55/68/175235568 NUMMWUVARLSQFR-UHFFFAOYSA-N 0 206.27 BE 2.401 0 Anodyne ref BEAARN COc1cccc(-c2csc(N)n2)c1 COC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000152974 26/39/62/385263962 XRTKWPWDSUNLHS-UHFFFAOYSA-N 0 215.592 BE 2.035 0 Bother ref BEBARN COC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 COC(=O)CC(=O)c1ccc(Cl)cc1 ZINC000000153862 67/74/40/342677440 OIPOJEDRCKVDJK-UHFFFAOYSA-N -1 212.632 BE 2.086 0 Anodyne ref BEAARM COC(=O)C=C([O-])c1ccc(Cl)cc1 CC1=C2[C@@H]3OC(=O)[C@H](C)[C@H]3CC[C@]2(C)C=CC1=O ZINC000000155356 09/11/99/168091199 XJHDMGJURBVLLE-YWGZHDIYSA-N 0 246.306 BE 2.42 0 Mild ref BEEARN CC1=C2[C@@H]3OC(=O)[C@H](C)[C@H]3CC[C@]2(C)C=CC1=O in-vitro Cc1cc(N)ccc1NC(=O)c1ccco1 ZINC000000156747 10/53/26/178105326 KYIFBTMTQXRRCU-UHFFFAOYSA-N 0 216.24 BE 2.423 0 Anodyne ref BEAARN Cc1cc(N)ccc1NC(=O)c1ccco1 Cc1cc(C)c(OCC(=O)O)c(Cl)c1 ZINC000000157380 86/78/79/177867879 CUGLOZFKNNULKW-UHFFFAOYSA-N -1 214.648 BE 2.42 0 Anodyne ref BEAARM Cc1cc(C)c(OCC(=O)[O-])c(Cl)c1