smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nc(Nc2ccccn2)cc([C@@H]2CCC[NH2+]C2)n1 ZINC000257330408 230401542 /nfs/dbraw/zinc/40/15/42/230401542.db2.gz XOFWRCUHEVDBEG-GFCCVEGCSA-N 1 0 269.352 2.391 40 0 CEABRO CC(C)[C@H]([NH3+])c1nc(-c2ccc(Br)o2)n[nH]1 ZINC000095534794 185008602 /nfs/dbraw/zinc/00/86/02/185008602.db2.gz MCLWZLOWZUOCCX-QMMMGPOBSA-N 1 0 285.145 2.483 40 0 CEABRO Cc1nnc([C@H]2C[C@H]3OCC[C@H]3[N@H+](Cc3ccoc3)C2)o1 ZINC000096041302 185068726 /nfs/dbraw/zinc/06/87/26/185068726.db2.gz XAQBJPFRYQCPPP-BFHYXJOUSA-N 1 0 289.335 2.118 40 0 CEABRO CCN1CCC2(CC[NH+](Cc3ccco3)CC2)C1=O ZINC000096046733 185071164 /nfs/dbraw/zinc/07/11/64/185071164.db2.gz GWTRTNNVPIASIA-UHFFFAOYSA-N 1 0 262.353 2.114 40 0 CEABRO Cn1ncc2c1C[N@H+](CC1CC1)C[C@H]2COc1cccnc1 ZINC000096044664 185071257 /nfs/dbraw/zinc/07/12/57/185071257.db2.gz DJVHDSRPUZCCMX-AWEZNQCLSA-N 1 0 298.390 2.203 40 0 CEABRO Cc1ccc(C[N@@H+]2CCC[C@@]3(CCCC(=O)N3)C2)o1 ZINC000096049940 185074363 /nfs/dbraw/zinc/07/43/63/185074363.db2.gz SUFXQZXCARATNO-HNNXBMFYSA-N 1 0 262.353 2.223 40 0 CEABRO CC[C@](O)(c1cccc(OC)c1)[C@@H](C)C[NH+](C)C ZINC000033979436 361786826 /nfs/dbraw/zinc/78/68/26/361786826.db2.gz PZNRRUTVGXCKFC-SWLSCSKDSA-N 1 0 251.370 2.491 40 0 CEABRO COCCO[C@H]1CC[N@H+](CC2CC2)[C@H]1Cc1cccnc1 ZINC000096069934 185085178 /nfs/dbraw/zinc/08/51/78/185085178.db2.gz VNZPZKKRWVRABS-IRXDYDNUSA-N 1 0 290.407 2.140 40 0 CEABRO O[C@H]1CC[N@H+](Cc2ccncc2)[C@H]1Cc1ccccc1 ZINC000096069894 185086010 /nfs/dbraw/zinc/08/60/10/185086010.db2.gz WQFUXMMDJKIKSU-IRXDYDNUSA-N 1 0 268.360 2.260 40 0 CEABRO O=C1C[C@@H]2[C@H](CC[N@@H+]2Cc2ccoc2)N1c1cccnc1 ZINC000096110717 185101367 /nfs/dbraw/zinc/10/13/67/185101367.db2.gz FDXKKSVLPFZXLW-LSDHHAIUSA-N 1 0 283.331 2.054 40 0 CEABRO C[C@@H](CCN1C[C@@H]2C[C@@H](O)C[N@@H+]2C[C@@H]1C)c1ccccc1 ZINC000019575840 343374685 /nfs/dbraw/zinc/37/46/85/343374685.db2.gz OQWLLWPCXDAZNO-UOVPBQLFSA-N 1 0 288.435 2.320 40 0 CEABRO CCC(CC)NC(=O)c1cnc([C@@H]2CCC[NH2+]C2)nc1C ZINC000019766765 343374919 /nfs/dbraw/zinc/37/49/19/343374919.db2.gz KHHBJDOLTAAGEO-GFCCVEGCSA-N 1 0 290.411 2.170 40 0 CEABRO COc1cc([C@@H](C)NC(=O)C(C)(C)[NH3+])ccc1OC(C)C ZINC000237088220 539307959 /nfs/dbraw/zinc/30/79/59/539307959.db2.gz ZTZDHODVVBLWLQ-LLVKDONJSA-N 1 0 294.395 2.397 40 0 CEABRO CNc1cc(N2CCc3cc([C@H](C)O)ccc3C2)nc(C)[nH+]1 ZINC000329012107 136377331 /nfs/dbraw/zinc/37/73/31/136377331.db2.gz MJLIRJSHIGKKFI-NSHDSACASA-N 1 0 298.390 2.443 40 0 CEABRO [NH3+][C@@H]1CCCN(CC(=O)c2ccc(Br)cc2)C1 ZINC000050149620 362405887 /nfs/dbraw/zinc/40/58/87/362405887.db2.gz DUSHSTUOTJYAHV-GFCCVEGCSA-N 1 0 297.196 2.055 40 0 CEABRO C[NH2+][C@H]1CCC[C@@H](Oc2ccc(Cl)cc2)[C@@H]1O ZINC000585288622 345010464 /nfs/dbraw/zinc/01/04/64/345010464.db2.gz FSVKQSBJPYBSIJ-YNEHKIRRSA-N 1 0 255.745 2.220 40 0 CEABRO COc1ccc(C(=O)N2CCC3(C2)CC[NH+](C)CC3)cc1 ZINC000063527705 362768356 /nfs/dbraw/zinc/76/83/56/362768356.db2.gz IZBVYGUQCJMRCX-UHFFFAOYSA-N 1 0 288.391 2.253 40 0 CEABRO Clc1ccc2oc(N3CCC[NH2+]CC3)nc2c1 ZINC000062536462 282526548 /nfs/dbraw/zinc/52/65/48/282526548.db2.gz RVSWRFIZLFJNRM-UHFFFAOYSA-N 1 0 251.717 2.281 40 0 CEABRO c1csc(CN2CC[NH2+]C[C@@H]2c2ccccc2)n1 ZINC000086177434 179246949 /nfs/dbraw/zinc/24/69/49/179246949.db2.gz XQPAGIKNEWCQKH-CYBMUJFWSA-N 1 0 259.378 2.290 40 0 CEABRO CC(=O)N1CC[NH2+]C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000072366080 363131565 /nfs/dbraw/zinc/13/15/65/363131565.db2.gz NTUZXBKONGYTSH-GFCCVEGCSA-N 1 0 272.270 2.198 40 0 CEABRO C[NH+]1CCC(CC(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000074921057 363418960 /nfs/dbraw/zinc/41/89/60/363418960.db2.gz PPWKYQKPVJOIHL-UHFFFAOYSA-N 1 0 276.336 2.086 40 0 CEABRO OCCN(C[C@H]1CCCC[N@@H+]1Cc1ccccc1)C1CC1 ZINC000079393550 363594259 /nfs/dbraw/zinc/59/42/59/363594259.db2.gz IEQTULLHKUGKQD-GOSISDBHSA-N 1 0 288.435 2.498 40 0 CEABRO CC(C)N(C[C@H]1CCC[N@@H+]1CCO)C(=O)OC(C)(C)C ZINC000079408078 363595122 /nfs/dbraw/zinc/59/51/22/363595122.db2.gz ZHVLTSMOZCQNNF-CYBMUJFWSA-N 1 0 286.416 2.089 40 0 CEABRO CCN(Cc1c(Cl)cccc1Cl)C(=O)C[NH3+] ZINC000079420226 363598841 /nfs/dbraw/zinc/59/88/41/363598841.db2.gz WUSCJQWWDARUHD-UHFFFAOYSA-N 1 0 261.152 2.301 40 0 CEABRO CCOC(=O)c1ccccc1NC(=O)C[NH2+]CC(C)C ZINC000001669921 361215006 /nfs/dbraw/zinc/21/50/06/361215006.db2.gz MWEYZKVBEZINQS-UHFFFAOYSA-N 1 0 278.352 2.047 40 0 CEABRO COc1ccc([C@H]([NH3+])[C@@H](O)c2ccc(OC)cc2)cc1 ZINC000001666003 361215403 /nfs/dbraw/zinc/21/54/03/361215403.db2.gz DUEBHXGFCXXGHK-HOTGVXAUSA-N 1 0 273.332 2.437 40 0 in-vitro CEABRO CC[C@@H](COC(=O)c1ccc(N)cc1)[NH2+]C(C)C ZINC000001716626 361219507 /nfs/dbraw/zinc/21/95/07/361219507.db2.gz WIOIBIXPEMRBHR-ZDUSSCGKSA-N 1 0 250.342 2.202 40 0 CEABRO COc1ccc(CC[NH2+][C@H]2CCCC[C@H]2O)cc1OC ZINC000001719175 361220035 /nfs/dbraw/zinc/22/00/35/361220035.db2.gz CDPYHMWDRBWSEJ-UONOGXRCSA-N 1 0 279.380 2.139 40 0 CEABRO C[NH+](C)CCNC(=O)Oc1cccc2ccccc21 ZINC000001747623 361220819 /nfs/dbraw/zinc/22/08/19/361220819.db2.gz CUFWJRJILWTQSE-UHFFFAOYSA-N 1 0 258.321 2.490 40 0 CEABRO C[NH+](C)CCNC(=O)/C=C/c1ccc(Cl)cc1 ZINC000003069598 361262404 /nfs/dbraw/zinc/26/24/04/361262404.db2.gz NIBOJOLRCRKMRM-VMPITWQZSA-N 1 0 252.745 2.031 40 0 CEABRO Cc1c[nH]nc1[C@@H]1CCC[N@@H+](Cc2cnn(C)c2C)C1 ZINC000011789303 361365070 /nfs/dbraw/zinc/36/50/70/361365070.db2.gz HNFWVPHAYZVSIW-CYBMUJFWSA-N 1 0 273.384 2.140 40 0 CEABRO Cc1cc(N2CCC([NH3+])CC2)nc2nn(C(C)C)cc21 ZINC000012398929 361382916 /nfs/dbraw/zinc/38/29/16/361382916.db2.gz MWNOUOSRCWZPGZ-UHFFFAOYSA-N 1 0 273.384 2.248 40 0 CEABRO C[C@@H](SCc1ccccc1)C(=O)NCCC[NH+](C)C ZINC000013649150 361436038 /nfs/dbraw/zinc/43/60/38/361436038.db2.gz SHHZFCUFVSBIMN-CYBMUJFWSA-N 1 0 280.437 2.376 40 0 CEABRO O=C1C[C@H](c2ccc(Cl)cc2)CN1C1CC[NH2+]CC1 ZINC000016697613 361496715 /nfs/dbraw/zinc/49/67/15/361496715.db2.gz YYXZYJPEQZYSPG-LBPRGKRZSA-N 1 0 278.783 2.408 40 0 CEABRO CCn1cc(C[N@@H+]2CC[C@@H](CO)C2)c2cc(OC)ccc21 ZINC000019524745 361541548 /nfs/dbraw/zinc/54/15/48/361541548.db2.gz NFPSIHVMCBYDBF-CYBMUJFWSA-N 1 0 288.391 2.484 40 0 CEABRO C[C@H](CCN1C[C@@H]2C[C@@H](O)C[N@@H+]2C[C@@H]1C)c1ccccc1 ZINC000019575842 361543073 /nfs/dbraw/zinc/54/30/73/361543073.db2.gz OQWLLWPCXDAZNO-MXSMSXNCSA-N 1 0 288.435 2.320 40 0 CEABRO Cc1c2cc(F)ccc2[nH]c1C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000019565404 361544077 /nfs/dbraw/zinc/54/40/77/361544077.db2.gz VXIPIJWUFSKVMN-LBPRGKRZSA-N 1 0 289.354 2.439 40 0 CEABRO CC[NH+](CC)CCCN[C@@H](C)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000026439652 361640293 /nfs/dbraw/zinc/64/02/93/361640293.db2.gz HXTWJHKANGPBIS-XHSDSOJGSA-N 1 0 297.487 2.201 40 0 CEABRO O[C@@H](C[NH2+]Cc1ccccc1)COCC(F)(F)C(F)F ZINC000026897860 361647293 /nfs/dbraw/zinc/64/72/93/361647293.db2.gz ZSLJRXCSRDNBFJ-NSHDSACASA-N 1 0 295.276 2.054 40 0 CEABRO CCOC(=O)[C@@H]1[C@H]2CC[C@@H]1[N@H+](Cc1ccccc1)C2 ZINC000026895312 361647541 /nfs/dbraw/zinc/64/75/41/361647541.db2.gz HDLAPPYOWZTRFN-SOUVJXGZSA-N 1 0 259.349 2.460 40 0 CEABRO COC(=O)[C@H](C[NH3+])Cc1ccc(Cl)cc1Cl ZINC000095097688 364339901 /nfs/dbraw/zinc/33/99/01/364339901.db2.gz FYYZFAKWHAAVOZ-QMMMGPOBSA-N 1 0 262.136 2.284 40 0 CEABRO c1cnc(N2CCC[C@]3(CC[N@@H+](CC4CC4)C3)C2)nc1 ZINC000096047165 364398589 /nfs/dbraw/zinc/39/85/89/364398589.db2.gz JPKKMKHDIIKISI-MRXNPFEDSA-N 1 0 272.396 2.179 40 0 CEABRO CCn1c(=O)ccc2c1CC[N@H+](Cc1ccoc1)CC2 ZINC000096196640 364408723 /nfs/dbraw/zinc/40/87/23/364408723.db2.gz FBHURKMPACZDHD-UHFFFAOYSA-N 1 0 272.348 2.062 40 0 CEABRO O[C@H]1CC[N@H+](Cc2ccoc2)[C@H]1Cc1ccccc1 ZINC000096200338 364411373 /nfs/dbraw/zinc/41/13/73/364411373.db2.gz GIRNUCOHFXCUFY-HOTGVXAUSA-N 1 0 257.333 2.458 40 0 CEABRO O=C1[C@H]2C[N@H+](Cc3ccco3)C[C@H]2CN1c1ccsc1 ZINC000096245218 364416241 /nfs/dbraw/zinc/41/62/41/364416241.db2.gz DAABTUWJQYZITM-FZMZJTMJSA-N 1 0 288.372 2.436 40 0 CEABRO c1ccc(C[N@@H+]2CCc3ncnc(C4CC4)c3CC2)nc1 ZINC000096255084 364418560 /nfs/dbraw/zinc/41/85/60/364418560.db2.gz ZGLBTFWCWGYNLX-UHFFFAOYSA-N 1 0 280.375 2.350 40 0 CEABRO c1cc2n(c1)C[C@H](CCNc1ccccn1)C[NH2+]C2 ZINC000585095295 367177398 /nfs/dbraw/zinc/17/73/98/367177398.db2.gz OJHHPKFPSNSJEL-CYBMUJFWSA-N 1 0 256.353 2.105 40 0 CEABRO CC[NH+](CC)CC[C@H]1CN(C(=O)C(C)C)Cc2cncn21 ZINC000585096450 367177668 /nfs/dbraw/zinc/17/76/68/367177668.db2.gz ODXZEDRQESJOBF-AWEZNQCLSA-N 1 0 292.427 2.154 40 0 CEABRO COc1ccc(OC)c(N[C@@H]2CCCC[C@@H]2[NH3+])c1 ZINC000218863298 370214191 /nfs/dbraw/zinc/21/41/91/370214191.db2.gz BKLNFQIKBLLQLC-NWDGAFQWSA-N 1 0 250.342 2.386 40 0 CEABRO CCCNC(=O)NCCC[N@@H+]1CCCC[C@@H]1CC ZINC000225774411 370315940 /nfs/dbraw/zinc/31/59/40/370315940.db2.gz OBFHCSABFKURFO-ZDUSSCGKSA-N 1 0 255.406 2.350 40 0 CEABRO CN1CCC(CCO)([NH2+]Cc2cccc3[nH]ccc32)CC1 ZINC000331917781 204292747 /nfs/dbraw/zinc/29/27/47/204292747.db2.gz ZEDXVUZMEHPKJQ-UHFFFAOYSA-N 1 0 287.407 2.104 40 0 CEABRO Cc1nc([C@@H]2CCC[NH2+]2)nc2c1CCC(=O)N2CC(C)C ZINC000257199848 371608263 /nfs/dbraw/zinc/60/82/63/371608263.db2.gz ABAGGFLHJGYXMQ-ZDUSSCGKSA-N 1 0 288.395 2.145 40 0 CEABRO CNc1nccnc1[C@@H]1CCCN(c2cc(C)ncn2)C1 ZINC000257220062 371610052 /nfs/dbraw/zinc/61/00/52/371610052.db2.gz DJJGNIORLPEPFW-GFCCVEGCSA-N 1 0 284.367 2.001 40 0 CEABRO CC(C)n1cc(-c2cncc(C3CC[NH2+]CC3)n2)cn1 ZINC000257330470 371613601 /nfs/dbraw/zinc/61/36/01/371613601.db2.gz XOOSPPMHIFEIQL-UHFFFAOYSA-N 1 0 271.368 2.388 40 0 CEABRO CCCn1nccc1C[NH2+]Cc1ccc(O)c(OC)c1 ZINC000256050707 190002966 /nfs/dbraw/zinc/00/29/66/190002966.db2.gz GEQYTZLTVRMZOB-UHFFFAOYSA-N 1 0 275.352 2.297 40 0 CEABRO CCCn1cc(C[NH2+]Cc2cnn(CC(F)F)c2C)cn1 ZINC000256052873 190004101 /nfs/dbraw/zinc/00/41/01/190004101.db2.gz OZZLUVXOAAJAIH-UHFFFAOYSA-N 1 0 297.353 2.353 40 0 CEABRO Cc1c[nH]nc1C[C@H]1CCC[N@H+](Cc2[nH]cnc2C)C1 ZINC000257228117 190015823 /nfs/dbraw/zinc/01/58/23/190015823.db2.gz FSJCSFONPJAOLG-CYBMUJFWSA-N 1 0 273.384 2.204 40 0 CEABRO COc1ccccc1[C@@H]1C[NH2+]CCN1Cc1ccccn1 ZINC000257228563 190016262 /nfs/dbraw/zinc/01/62/62/190016262.db2.gz FUHXCFVFRCLHTB-INIZCTEOSA-N 1 0 283.375 2.237 40 0 CEABRO COc1ccc([C@@H]2C[C@]3(C)NC(=O)CCC[C@@H]3[N@@H+]2C)cc1 ZINC000257246623 190019181 /nfs/dbraw/zinc/01/91/81/190019181.db2.gz IUYZADBRLKFOOI-ZOBUZTSGSA-N 1 0 288.391 2.499 40 0 CEABRO c1nc2ccccc2n1-c1cncc(C[C@H]2CCC[NH2+]C2)n1 ZINC000257254798 190020431 /nfs/dbraw/zinc/02/04/31/190020431.db2.gz KESUFXYWVHDVDD-CYBMUJFWSA-N 1 0 293.374 2.358 40 0 CEABRO Cc1ccc(C[N@@H+]2CC[C@@H](c3nccc(C)n3)C2)cn1 ZINC000257264706 190022967 /nfs/dbraw/zinc/02/29/67/190022967.db2.gz LVSOEPGIDXOKPG-OAHLLOKOSA-N 1 0 268.364 2.478 40 0 CEABRO CCOCC[N@@H+]1CCC[C@@H]1c1cc(NC)nc(C)n1 ZINC000257259420 190021830 /nfs/dbraw/zinc/02/18/30/190021830.db2.gz KYGTUWXKBVHHRP-CYBMUJFWSA-N 1 0 264.373 2.000 40 0 CEABRO CCCn1cc(-c2nccnc2C[C@@H]2CCC[NH2+]C2)cn1 ZINC000257259777 190022075 /nfs/dbraw/zinc/02/20/75/190022075.db2.gz KZXPDZZBKCEHTH-ZDUSSCGKSA-N 1 0 285.395 2.292 40 0 CEABRO Cc1cccc(C[N@@H+]2CC[C@@]3(CCCO3)[C@@H](O)C2)c1 ZINC000257276682 190025767 /nfs/dbraw/zinc/02/57/67/190025767.db2.gz NUSCTFFIZRYISP-HOTGVXAUSA-N 1 0 261.365 2.111 40 0 CEABRO CCOc1ccccc1C[N@@H+]1CC[C@@]2(CCCO2)[C@@H](O)C1 ZINC000257281390 190026113 /nfs/dbraw/zinc/02/61/13/190026113.db2.gz OOYOEZWWBDIHOT-IRXDYDNUSA-N 1 0 291.391 2.201 40 0 CEABRO O[C@H]1C[N@H+](Cc2ccc3[nH]ccc3c2)CC[C@@]12CCCO2 ZINC000257271341 190024367 /nfs/dbraw/zinc/02/43/67/190024367.db2.gz MXXUEQQBPVCWGL-IRXDYDNUSA-N 1 0 286.375 2.284 40 0 CEABRO C[N@@H+]1CCC[C@@H]1c1ccnc(C(=O)NCC2CCC2)c1 ZINC000257299066 190029186 /nfs/dbraw/zinc/02/91/86/190029186.db2.gz ROPNACTUHTXGMR-OAHLLOKOSA-N 1 0 273.380 2.378 40 0 CEABRO CO[C@H]1CC[N@H+](CCOc2ccccc2)C[C@@]12CCCO2 ZINC000257299866 190029305 /nfs/dbraw/zinc/02/93/05/190029305.db2.gz RRZJJSQOMZLNQS-IRXDYDNUSA-N 1 0 291.391 2.335 40 0 CEABRO CC[NH+]1CCC(N2CC[C@@H](c3nc(C)cc(C)n3)C2)CC1 ZINC000257313418 190031921 /nfs/dbraw/zinc/03/19/21/190031921.db2.gz USHNNOOJYFGJOY-OAHLLOKOSA-N 1 0 288.439 2.367 40 0 CEABRO C[C@H]1C[C@@H](C[NH3+])CN(C(=O)OCc2ccccc2)C1 ZINC000261509021 190040649 /nfs/dbraw/zinc/04/06/49/190040649.db2.gz ZCTLPMZIDJNCMP-JSGCOSHPSA-N 1 0 262.353 2.240 40 0 CEABRO Cc1nc(CN2CC[NH2+]Cc3ccc(C)nc32)cs1 ZINC000306140539 376541616 /nfs/dbraw/zinc/54/16/16/376541616.db2.gz UWWDBWZDSBNUOS-UHFFFAOYSA-N 1 0 274.393 2.265 40 0 CEABRO O=C1CC2(CCN1)CC[NH+](Cc1ccccc1)CC2 ZINC000001705553 284782398 /nfs/dbraw/zinc/78/23/98/284782398.db2.gz NDDZYCRYGWSPSJ-UHFFFAOYSA-N 1 0 258.365 2.179 40 0 CEABRO OC1(C[NH+]2CCC(c3cnccn3)CC2)CCCCC1 ZINC000072366728 285235891 /nfs/dbraw/zinc/23/58/91/285235891.db2.gz RJOMVMHZACGAHR-UHFFFAOYSA-N 1 0 275.396 2.351 40 0 CEABRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(Cc2ccsc2)C1 ZINC000096188182 256816697 /nfs/dbraw/zinc/81/66/97/256816697.db2.gz WKXARTMTHDZVOX-AWEZNQCLSA-N 1 0 290.436 2.138 40 0 CEABRO COc1ccc([C@H](O)[C@@H]([NH2+]CCO)c2ccccc2)cc1 ZINC000001594036 169721423 /nfs/dbraw/zinc/72/14/23/169721423.db2.gz TZIFCSOXBAJUGV-IRXDYDNUSA-N 1 0 287.359 2.052 40 0 CEABRO O[C@]12c3ccccc3[C@@H]1CCCC[C@H]2[NH+]1CCOCC1 ZINC000031851953 285379797 /nfs/dbraw/zinc/37/97/97/285379797.db2.gz XNHVAOFTRMYYNB-GVDBMIGSSA-N 1 0 273.376 2.246 40 0 CEABRO COc1ccc2c(c1)CC[C@H](SC1=[NH+]CCCN1)C2=O ZINC000006407090 394459736 /nfs/dbraw/zinc/45/97/36/394459736.db2.gz CFYCJBGSGXYLBH-ZDUSSCGKSA-N 1 0 290.388 2.275 40 0 CEABRO CCC[N@@H+]1CCC[C@H]1c1cccnc1N1CCOCC1 ZINC000072216224 394593303 /nfs/dbraw/zinc/59/33/03/394593303.db2.gz ZKEHSAHONRMGKA-HNNXBMFYSA-N 1 0 275.396 2.465 40 0 CEABRO C[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2)CC[NH2+]1 ZINC000062666102 394569847 /nfs/dbraw/zinc/56/98/47/394569847.db2.gz IYZWWZKVKBRLOC-SECBINFHSA-N 1 0 272.270 2.139 40 0 CEABRO COC(=O)[C@@H]1C[N@H+](C)C[C@H]1c1cccc(Br)c1 ZINC000252516821 394571994 /nfs/dbraw/zinc/57/19/94/394571994.db2.gz XBPKBJLBWHOMCJ-NWDGAFQWSA-N 1 0 298.180 2.267 40 0 CEABRO C[N@@H+]1CC[C@]2(C1)COCc1cnc(-c3ccccc3)nc12 ZINC000096080385 394675594 /nfs/dbraw/zinc/67/55/94/394675594.db2.gz YLCQPSWLMCIPQB-KRWDZBQOSA-N 1 0 281.359 2.247 40 0 CEABRO CC[C@@H]([C@H]([NH3+])c1cccc(C)c1)S(=O)(=O)CC ZINC000096524977 394697282 /nfs/dbraw/zinc/69/72/82/394697282.db2.gz HSJZMKMGKGROBG-QWHCGFSZSA-N 1 0 255.383 2.208 40 0 CEABRO c1ccc(-c2ccc3nnc([C@H]4CCC[NH2+]4)n3n2)cc1 ZINC000096530149 394698220 /nfs/dbraw/zinc/69/82/20/394698220.db2.gz YHVURRGQNGVPRT-CYBMUJFWSA-N 1 0 265.320 2.216 40 0 CEABRO CC(C)(C)OC(=O)N1C[C@H](C[NH3+])[C@](C)(C(F)(F)F)C1 ZINC000199784275 400297638 /nfs/dbraw/zinc/29/76/38/400297638.db2.gz DRBPWTVZJTZWFG-GZMMTYOYSA-N 1 0 282.306 2.381 40 0 CEABRO CC(C)[N@@H+]1CCC[C@@H]1c1cnc(-c2ccnn2C)cn1 ZINC000257205893 400317283 /nfs/dbraw/zinc/31/72/83/400317283.db2.gz BAZLQWTWEDRHOI-OAHLLOKOSA-N 1 0 271.368 2.422 40 0 CEABRO O=C(C[NH+]1CCCCCC1)Nc1ccc2c(c1)OCO2 ZINC000006495566 170207067 /nfs/dbraw/zinc/20/70/67/170207067.db2.gz XPCFAXVRRXJOKL-UHFFFAOYSA-N 1 0 276.336 2.230 40 0 CEABRO C[NH+](C)CCCNC(=S)Nc1ccc(F)c(F)c1 ZINC000007373528 170279982 /nfs/dbraw/zinc/27/99/82/170279982.db2.gz SKUZQPMITCIGOX-UHFFFAOYSA-N 1 0 273.352 2.203 40 0 CEABRO [NH3+]C[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000020182325 171046266 /nfs/dbraw/zinc/04/62/66/171046266.db2.gz XXSCFMAGBIFGMK-JTQLQIEISA-N 1 0 252.745 2.151 40 0 CEABRO C[C@@]1([NH2+]Cc2cccc(Cl)c2)CCS(=O)(=O)C1 ZINC000035223098 172067300 /nfs/dbraw/zinc/06/73/00/172067300.db2.gz GAVLMVZZSCMHRE-GFCCVEGCSA-N 1 0 273.785 2.007 40 0 CEABRO COc1cccc([C@H](C[NH3+])N2CCC(C)CC2)c1OC ZINC000038785090 174155346 /nfs/dbraw/zinc/15/53/46/174155346.db2.gz KURISMJAGCSGDW-AWEZNQCLSA-N 1 0 278.396 2.436 40 0 CEABRO CCN(CC)[C@H](C[NH3+])c1ccc(OC)cc1OC ZINC000038808908 174155956 /nfs/dbraw/zinc/15/59/56/174155956.db2.gz UYYJVSHOUGFOSX-CYBMUJFWSA-N 1 0 252.358 2.045 40 0 CEABRO Brc1cccnc1OCC1CC[NH2+]CC1 ZINC000051869978 175526669 /nfs/dbraw/zinc/52/66/69/175526669.db2.gz WBLZMWAWPVZOKF-UHFFFAOYSA-N 1 0 271.158 2.223 40 0 CEABRO Cc1cc(Nc2ncccn2)nc([C@H]2CCC[N@@H+](C)C2)n1 ZINC000072359946 176376741 /nfs/dbraw/zinc/37/67/41/176376741.db2.gz LKOFNRCYYAMZTH-LBPRGKRZSA-N 1 0 284.367 2.128 40 0 CEABRO CC[N@@H+]1CCC[C@@H](c2nccnc2Nc2cnccn2)C1 ZINC000072361583 176377312 /nfs/dbraw/zinc/37/73/12/176377312.db2.gz UOXXUOBJMIQXHS-GFCCVEGCSA-N 1 0 284.367 2.210 40 0 CEABRO CC(C)(C)C[N@@H+]1CCC[C@H]1c1cc(CCO)n[nH]1 ZINC000072361186 176377483 /nfs/dbraw/zinc/37/74/83/176377483.db2.gz TVADGCXWYNLUEV-ZDUSSCGKSA-N 1 0 251.374 2.128 40 0 CEABRO OCc1cc([C@@H]2CCC[N@H+](CCc3ccccc3)C2)n[nH]1 ZINC000072363743 176378037 /nfs/dbraw/zinc/37/80/37/176378037.db2.gz QSYWFJNBNXRWNO-OAHLLOKOSA-N 1 0 285.391 2.324 40 0 CEABRO C[N@@H+]1CCC[C@@H](c2cncc(NCCc3ccccn3)n2)C1 ZINC000072365199 176380764 /nfs/dbraw/zinc/38/07/64/176380764.db2.gz VVOBNUOHOYQLJD-CQSZACIVSA-N 1 0 297.406 2.335 40 0 CEABRO CC(C)[N@@H+]1CCC[C@](CCCc2ccccn2)(C(N)=O)C1 ZINC000072366371 176380853 /nfs/dbraw/zinc/38/08/53/176380853.db2.gz LBLMAYGPOKJVQT-KRWDZBQOSA-N 1 0 289.423 2.380 40 0 CEABRO Cc1ccc(Nc2nccc([C@H]3CCC[NH2+]3)n2)nc1 ZINC000072376724 176384945 /nfs/dbraw/zinc/38/49/45/176384945.db2.gz OTDCNBXCFBFKLN-LLVKDONJSA-N 1 0 255.325 2.348 40 0 CEABRO Cc1cc(C)nc(Nc2cncc([C@@H]3CCC[N@H+]3C)n2)n1 ZINC000072376199 176385241 /nfs/dbraw/zinc/38/52/41/176385241.db2.gz BVORFYARVWWPOR-ZDUSSCGKSA-N 1 0 284.367 2.394 40 0 CEABRO Cn1nc(C2C[NH+](CCc3ccccc3)C2)c2nccnc21 ZINC000072385010 176389393 /nfs/dbraw/zinc/38/93/93/176389393.db2.gz ZWARHIUAPSDNNC-UHFFFAOYSA-N 1 0 293.374 2.005 40 0 CEABRO Cn1cc(C[N@@H+]2CCC[C@H](Cc3cccnc3)C2)cn1 ZINC000072385811 176390464 /nfs/dbraw/zinc/39/04/64/176390464.db2.gz RHBGBSUMXXQDDZ-OAHLLOKOSA-N 1 0 270.380 2.270 40 0 CEABRO C[C@@]1(c2ccccc2)[C@@H]([NH3+])C(=O)N1c1ccccc1 ZINC000256054630 419470423 /nfs/dbraw/zinc/47/04/23/419470423.db2.gz XCNCMEVLLHWOEV-GOEBONIOSA-N 1 0 252.317 2.276 40 0 CEABRO CC[C@]1(C)NC(=[NH2+])Nc2nc3cc(C)c(C)cc3n21 ZINC000001560962 273766155 /nfs/dbraw/zinc/76/61/55/273766155.db2.gz BFNBLCZGDVKVHS-CQSZACIVSA-N 1 0 257.341 2.285 40 0 CEABRO C[C@@H]([NH3+])Cc1c2c(c(Br)c3c1OCC3)OCC2 ZINC000013757083 274236637 /nfs/dbraw/zinc/23/66/37/274236637.db2.gz FKRREVSELFOLDT-SSDOTTSWSA-N 1 0 298.180 2.209 40 0 in-vitro CEABRO CC[NH+]1CCC(N2CCC[C@H]2c2ccnc(C)n2)CC1 ZINC000257204930 276358914 /nfs/dbraw/zinc/35/89/14/276358914.db2.gz AWXRMTKEURLRIC-INIZCTEOSA-N 1 0 274.412 2.406 40 0 CEABRO CN1CCc2c1[nH+]c(-c1cccnc1)c1c2N(C)CC1 ZINC000001616085 277187351 /nfs/dbraw/zinc/18/73/51/277187351.db2.gz VZGWQQFANDKWAR-UHFFFAOYSA-N 1 0 266.348 2.128 40 0 CEABRO CNc1cncc(C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)n1 ZINC000257306871 327133611 /nfs/dbraw/zinc/13/36/11/327133611.db2.gz SWIXNKSEQUPSMS-LSDHHAIUSA-N 1 0 290.411 2.001 40 0 CEABRO CCCNc1ncc(C[NH2+]C[C@@H](O)c2ccccc2)cn1 ZINC000062717700 333176042 /nfs/dbraw/zinc/17/60/42/333176042.db2.gz NSKWXQRUHWQGNI-OAHLLOKOSA-N 1 0 286.379 2.122 40 0 CEABRO COc1ccc(CN2CC[NH2+][C@@H]3CCCC[C@@H]32)cc1 ZINC000225712166 333182117 /nfs/dbraw/zinc/18/21/17/333182117.db2.gz YNZVQPHDALLLHN-CVEARBPZSA-N 1 0 260.381 2.412 40 0 CEABRO C[NH2+]C[C@@H](OC(C)C)c1cc(OC)ccc1OC ZINC000062711651 522035918 /nfs/dbraw/zinc/03/59/18/522035918.db2.gz LTDSGUYSSGKLSC-CQSZACIVSA-N 1 0 253.342 2.389 40 0 CEABRO COc1ccccc1C(=O)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000062709954 524344278 /nfs/dbraw/zinc/34/42/78/524344278.db2.gz SUBCTMLXNZNNJN-MRXNPFEDSA-N 1 0 296.370 2.482 40 0 CEABRO c1nc(N2CCOCC2)ncc1C[NH2+]C1CCCCCC1 ZINC000062717764 526601187 /nfs/dbraw/zinc/60/11/87/526601187.db2.gz VOCBULDYZAVYFG-UHFFFAOYSA-N 1 0 290.411 2.126 40 0 CEABRO CCn1cc(C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)cn1 ZINC000121192002 365533485 /nfs/dbraw/zinc/53/34/85/365533485.db2.gz PXDLOQHUFQZOAH-CYBMUJFWSA-N 1 0 259.357 2.006 40 0 CEABRO OC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000095932014 185032741 /nfs/dbraw/zinc/03/27/41/185032741.db2.gz JVJIYCXIYVNRHB-NWDGAFQWSA-N 1 0 259.271 2.289 40 0 CEABRO C[N@@H+]1CC[C@@H]2OCCC[C@]2(COc2ncccc2F)C1 ZINC000096040485 185069099 /nfs/dbraw/zinc/06/90/99/185069099.db2.gz JDMVDVDTOQKFQM-DZGCQCFKSA-N 1 0 280.343 2.100 40 0 CEABRO CO[C@H]1COC2(C1)CC[NH+](Cc1ccco1)CC2 ZINC000096048128 185073208 /nfs/dbraw/zinc/07/32/08/185073208.db2.gz VLWKEIQCKFZROM-CYBMUJFWSA-N 1 0 251.326 2.050 40 0 CEABRO CC[C@@H]1[N@H+](Cc2cccnc2)CCC[C@]12CCC(=O)N2 ZINC000096052398 185074120 /nfs/dbraw/zinc/07/41/20/185074120.db2.gz KVGWFVNTZZQQSF-HOCLYGCPSA-N 1 0 273.380 2.105 40 0 CEABRO CCOC[C@@]12CCCO[C@@H]1CC[N@H+](CC1CC1)C2 ZINC000096056855 185077755 /nfs/dbraw/zinc/07/77/55/185077755.db2.gz VOVNQHXCLCNOQM-CABCVRRESA-N 1 0 253.386 2.304 40 0 CEABRO CC(C)[N@@H+]1CCC[C@]2(CCN(Cc3ccncc3)C2=O)C1 ZINC000096074018 185088635 /nfs/dbraw/zinc/08/86/35/185088635.db2.gz VHUSUEASKPTLBN-KRWDZBQOSA-N 1 0 287.407 2.305 40 0 CEABRO C[N@@H+]1CCOC[C@]2(CCCN(C(=O)CC3CCCC3)C2)C1 ZINC000096076209 185089477 /nfs/dbraw/zinc/08/94/77/185089477.db2.gz DEZZJVDSTPJPQM-QGZVFWFLSA-N 1 0 294.439 2.138 40 0 CEABRO CC[N@@H+]1CCOC[C@@]2(CCCN(Cc3nccs3)C2)C1 ZINC000096076494 185090040 /nfs/dbraw/zinc/09/00/40/185090040.db2.gz CGUCYLYYQCJWEC-HNNXBMFYSA-N 1 0 295.452 2.077 40 0 CEABRO C[N@@H+]1CCCC12CCN(Cc1nccs1)CC2 ZINC000096075199 185090204 /nfs/dbraw/zinc/09/02/04/185090204.db2.gz SHKMMNNLNOTBEL-UHFFFAOYSA-N 1 0 251.399 2.203 40 0 CEABRO [NH3+]C1CCN(C(=O)c2ccc(F)cc2Cl)CC1 ZINC000036753497 361852707 /nfs/dbraw/zinc/85/27/07/361852707.db2.gz NUWXJAGNKKLPBG-UHFFFAOYSA-N 1 0 256.708 2.042 40 0 CEABRO CC(C)[C@H]([NH3+])C(=O)N(Cc1ccc(F)cc1)C1CC1 ZINC000037801791 361944532 /nfs/dbraw/zinc/94/45/32/361944532.db2.gz LLRSUAOQVYFGIS-AWEZNQCLSA-N 1 0 264.344 2.300 40 0 CEABRO CC[N@H+](CCO)Cc1cccc(Br)c1 ZINC000042222171 362071298 /nfs/dbraw/zinc/07/12/98/362071298.db2.gz DDXHBWFDWWZTHB-UHFFFAOYSA-N 1 0 258.159 2.263 40 0 CEABRO O=C(C1CC1)N1C[C@@H]2CC[C@H](CC1=O)[N@@H+]2Cc1ccccc1 ZINC000019371554 343374533 /nfs/dbraw/zinc/37/45/33/343374533.db2.gz ROIRYEOBPOJFJK-CVEARBPZSA-N 1 0 298.386 2.189 40 0 CEABRO CC[C@H](CO)[NH2+]C[C@@H](O)COc1ccccc1[C@@H](C)CC ZINC000248191883 344621899 /nfs/dbraw/zinc/62/18/99/344621899.db2.gz LSOWXZOSDLPNHO-RRFJBIMHSA-N 1 0 295.423 2.300 40 0 CEABRO Cc1cccc(CO[C@H]2CSC3(C[NH+](C)C3)C2)n1 ZINC000585105475 345005742 /nfs/dbraw/zinc/00/57/42/345005742.db2.gz XGWJKYARHLUTEB-CYBMUJFWSA-N 1 0 264.394 2.096 40 0 CEABRO Cc1cccc(OC[C@]2(O)CC[N@H+](Cc3ccncc3)C2)c1 ZINC000585269204 345009423 /nfs/dbraw/zinc/00/94/23/345009423.db2.gz LLIWZMNIMWNRSH-SFHVURJKSA-N 1 0 298.386 2.406 40 0 CEABRO CC1(C)CC[C@H]2CN(C(=O)CCCC[NH3+])CC[C@@]2(C)O1 ZINC000585286095 345010030 /nfs/dbraw/zinc/01/00/30/345010030.db2.gz NRNSXDLUFKIBLK-XJKSGUPXSA-N 1 0 282.428 2.312 40 0 CEABRO CCOc1ccc(C(=O)NCCC[NH+](C)C)cc1Cl ZINC000059400264 362647880 /nfs/dbraw/zinc/64/78/80/362647880.db2.gz QDSMBWQYCKLESW-UHFFFAOYSA-N 1 0 284.787 2.420 40 0 CEABRO c1cn([C@H]2CO[C@]3(C2)CCC[N@@H+](Cc2ccncc2)C3)cn1 ZINC000107731413 186189235 /nfs/dbraw/zinc/18/92/35/186189235.db2.gz QDQCLGDBADXANC-SJORKVTESA-N 1 0 298.390 2.274 40 0 CEABRO O=C1[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]2CN1c1ccccc1 ZINC000107742917 186189280 /nfs/dbraw/zinc/18/92/80/186189280.db2.gz OGHHDTIIPQZBSA-NVXWUHKLSA-N 1 0 293.370 2.176 40 0 CEABRO CCN1CC[C@@]2(CCC[N@H+](Cc3ccncc3)CC2)C1=O ZINC000108528550 186221297 /nfs/dbraw/zinc/22/12/97/186221297.db2.gz SDLPMSZZJVONON-KRWDZBQOSA-N 1 0 287.407 2.306 40 0 CEABRO O=C([C@@H]1CCC[C@]12CC[N@H+](CC1CC1)C2)N1CC(F)(F)C1 ZINC000108531105 186221804 /nfs/dbraw/zinc/22/18/04/186221804.db2.gz HKEHDJZHPRFTIW-DZGCQCFKSA-N 1 0 298.377 2.366 40 0 CEABRO COc1ccc(CC(=O)NCCC2CC[NH+](C)CC2)cc1 ZINC000156392083 188259805 /nfs/dbraw/zinc/25/98/05/188259805.db2.gz QRJHHFWZZCRXNH-UHFFFAOYSA-N 1 0 290.407 2.086 40 0 CEABRO CC(C)(C)OC(=O)N1CCC[C@H](SCC[NH3+])C1 ZINC000079392227 363594033 /nfs/dbraw/zinc/59/40/33/363594033.db2.gz DHKRIQLMJLHSPH-JTQLQIEISA-N 1 0 260.403 2.078 40 0 CEABRO CCN(Cc1cccc(OC)c1)C(=O)[C@@H]([NH3+])C(C)C ZINC000079420995 363598252 /nfs/dbraw/zinc/59/82/52/363598252.db2.gz ZTRUPOXJLNDBGA-AWEZNQCLSA-N 1 0 264.369 2.027 40 0 CEABRO CCOc1ccc(CNC(=O)C2CC[NH+](C)CC2)cc1 ZINC000146558435 366574078 /nfs/dbraw/zinc/57/40/78/366574078.db2.gz RAMBSSFQLNCHPW-UHFFFAOYSA-N 1 0 276.380 2.043 40 0 CEABRO CC(C)[NH+](CCN1C(=O)c2ccccc2C1=O)C(C)C ZINC000000309125 361159837 /nfs/dbraw/zinc/15/98/37/361159837.db2.gz YAVTZGITXIYGDE-UHFFFAOYSA-N 1 0 274.364 2.401 40 0 CEABRO C[NH2+][C@@H]1Cc2c[nH]c3cccc(c23)[C@@]12C=C(C)C(=O)O2 ZINC000001559983 361207407 /nfs/dbraw/zinc/20/74/07/361207407.db2.gz QTWQJTORJVFWAQ-CJNGLKHVSA-N 1 0 268.316 2.010 40 0 CEABRO CC(C)[NH2+]C[C@H](O)COc1cccc2cc([C@H](C)O)oc21 ZINC000002002689 361225082 /nfs/dbraw/zinc/22/50/82/361225082.db2.gz SOBIXRUSPZTLPQ-AAEUAGOBSA-N 1 0 293.363 2.224 40 0 CEABRO C[N@H+]1[C@@H]2CC[C@H]1CC(O)(c1ccc(Cl)cn1)C2 ZINC000002529347 361237682 /nfs/dbraw/zinc/23/76/82/361237682.db2.gz FESHDPFQCTYRRL-QYJAPNMZSA-N 1 0 252.745 2.179 40 0 CEABRO O[C@@H](COc1ccc2c(c1)OCO2)C[NH+]1CCCCCC1 ZINC000002686879 361244487 /nfs/dbraw/zinc/24/44/87/361244487.db2.gz YTDOLISAWCBDMP-CYBMUJFWSA-N 1 0 293.363 2.031 40 0 CEABRO CC(=O)c1ccccc1OC[C@H](O)C[NH2+]C(C)(C)C ZINC000002701394 361244863 /nfs/dbraw/zinc/24/48/63/361244863.db2.gz USXOBRWSGCAAIU-GFCCVEGCSA-N 1 0 265.353 2.017 40 0 CEABRO COc1ccccc1-c1nnc(C2CC[NH2+]CC2)o1 ZINC000013366923 361425985 /nfs/dbraw/zinc/42/59/85/361425985.db2.gz CEWMQIHGXTYBFE-UHFFFAOYSA-N 1 0 259.309 2.212 40 0 CEABRO CC1(C)NC(=[NH2+])NC(=N)N1c1cc(Cl)ccc1Cl ZINC000016981852 361500804 /nfs/dbraw/zinc/50/08/04/361500804.db2.gz NSPSLCYVKZBTBT-UHFFFAOYSA-N 1 0 286.166 2.179 40 0 CEABRO COc1ccc(C[N@@H+]2CC[C@@H](c3nc(C)cc(=O)[nH]3)C2)cc1 ZINC000019118457 361519052 /nfs/dbraw/zinc/51/90/52/361519052.db2.gz IRIPJNBZGPCWAX-CQSZACIVSA-N 1 0 299.374 2.076 40 0 CEABRO COc1ccc(Nc2nc(C)nc3c2C[NH2+]CC3)cc1 ZINC000019286288 361527050 /nfs/dbraw/zinc/52/70/50/361527050.db2.gz QDHBTCIVLYABAR-UHFFFAOYSA-N 1 0 270.336 2.183 40 0 CEABRO CCC(=O)c1ccc(OC[C@@H](O)C[NH2+][C@H](C)CC)cc1 ZINC000016739475 361496545 /nfs/dbraw/zinc/49/65/45/361496545.db2.gz PQRYMHNEEMGICM-OCCSQVGLSA-N 1 0 279.380 2.407 40 0 CEABRO COc1cccc(CN2C[C@H]3CCC[N@@H+]3C[C@H]2C)c1 ZINC000019575146 361544215 /nfs/dbraw/zinc/54/42/15/361544215.db2.gz YWXCEYSSIJOVDP-UKRRQHHQSA-N 1 0 260.381 2.364 40 0 CEABRO Cc1nc(C)c(C(=O)NCC(C)(C)[NH+]2CCCCC2)o1 ZINC000019657729 361546961 /nfs/dbraw/zinc/54/69/61/361546961.db2.gz BITVJIYMWBURAG-UHFFFAOYSA-N 1 0 279.384 2.286 40 0 CEABRO COC(=O)c1cccc(NC(=O)C[NH+]2CCCCCC2)c1 ZINC000024164313 361607408 /nfs/dbraw/zinc/60/74/08/361607408.db2.gz OVFGFFWFKJTFPJ-UHFFFAOYSA-N 1 0 290.363 2.288 40 0 CEABRO COCC[NH2+]Cc1ccc(OCC(C)C)c(OC)c1 ZINC000032115605 361728172 /nfs/dbraw/zinc/72/81/72/361728172.db2.gz NKHCJWABMKAFNT-UHFFFAOYSA-N 1 0 267.369 2.466 40 0 CEABRO COc1ccc(C[N@@H+]2CC[C@@H](O)[C@@H]2Cc2cccnc2)cc1 ZINC000096200100 364409050 /nfs/dbraw/zinc/40/90/50/364409050.db2.gz ZWQJRIHGQLHUGM-ZWKOTPCHSA-N 1 0 298.386 2.268 40 0 CEABRO O=C1NCC[C@]12C[N@H+](Cc1ccoc1)C[C@H]2c1ccccc1 ZINC000096201809 364410626 /nfs/dbraw/zinc/41/06/26/364410626.db2.gz VZUURYZNGLAAOO-FUHWJXTLSA-N 1 0 296.370 2.385 40 0 CEABRO Cc1ccc(N2CCC[C@@]3(CC[N@H+](CC4CC4)C3)C2)nn1 ZINC000096217105 364413464 /nfs/dbraw/zinc/41/34/64/364413464.db2.gz GKZDYSAZOBGJMR-KRWDZBQOSA-N 1 0 286.423 2.487 40 0 CEABRO CC[N@@H+]1CC[C@@]2(c3ccccc3)CCN(C(C)=O)C[C@H]12 ZINC000096251897 364415946 /nfs/dbraw/zinc/41/59/46/364415946.db2.gz ADFKGDUQBPZDFV-IRXDYDNUSA-N 1 0 272.392 2.271 40 0 CEABRO CCC(=O)N1CC[C@]2(c3ccccc3)CC[N@H+](C)[C@@H]2C1 ZINC000096251817 364417162 /nfs/dbraw/zinc/41/71/62/364417162.db2.gz BWMHZOIKSIBNDQ-WBVHZDCISA-N 1 0 272.392 2.271 40 0 CEABRO CN(C)c1ncnc2c1CC[N@H+](Cc1ccccc1)CC2 ZINC000096255386 364418325 /nfs/dbraw/zinc/41/83/25/364418325.db2.gz BSDIRYLODDUMNC-UHFFFAOYSA-N 1 0 282.391 2.143 40 0 CEABRO [NH3+][C@H]1CC[C@H](NC(=O)c2ccccc2Br)CC1 ZINC000100809603 364550815 /nfs/dbraw/zinc/55/08/15/364550815.db2.gz XOZKEWHVJKHDIP-AOOOYVTPSA-N 1 0 297.196 2.449 40 0 CEABRO CC(C)C[N@@H+]1CCC[C@@]2(CN(Cc3cncs3)C2=O)C1 ZINC000585099631 367177612 /nfs/dbraw/zinc/17/76/12/367177612.db2.gz TXXHTLMLUZJPQC-HNNXBMFYSA-N 1 0 293.436 2.224 40 0 CEABRO COc1cc(N[C@H]2CCCC[C@H]2[NH3+])cc(OC)c1OC ZINC000218866357 370214049 /nfs/dbraw/zinc/21/40/49/370214049.db2.gz SFTCHGYWUKAPPW-NEPJUHHUSA-N 1 0 280.368 2.394 40 0 CEABRO COc1ccc(C(=O)NCCC[NH+]2CCCC2)cc1C ZINC000224514018 370280172 /nfs/dbraw/zinc/28/01/72/370280172.db2.gz FHNBJULLCNEMNG-UHFFFAOYSA-N 1 0 276.380 2.219 40 0 CEABRO COc1ccc(C(=O)NCCC[NH+]2CCCC2)cc1F ZINC000225390484 370291250 /nfs/dbraw/zinc/29/12/50/370291250.db2.gz FOHBGWXWRFNWGD-UHFFFAOYSA-N 1 0 280.343 2.050 40 0 CEABRO Cc1ccc2c(n1)N(C)[C@H](CO)CC[N@H+](CC(C)(C)C)C2 ZINC000225428456 370293877 /nfs/dbraw/zinc/29/38/77/370293877.db2.gz CDBYBHABQUOBKE-HNNXBMFYSA-N 1 0 291.439 2.439 40 0 biogenic,in-vitro CEABRO O[C@H](COc1ccccc1)C[N@@H+]1CC[C@@H]2C=CC=C[C@H]2C1 ZINC000252444350 371438107 /nfs/dbraw/zinc/43/81/07/371438107.db2.gz HSIIBDBKJDPQQR-ULQDDVLXSA-N 1 0 285.387 2.490 40 0 CEABRO Cc1nc(-c2ncc[nH]2)cc([C@H]2CCCC[N@H+]2C)n1 ZINC000257213421 371611452 /nfs/dbraw/zinc/61/14/52/371611452.db2.gz CHMWSGBRIUHTJU-CYBMUJFWSA-N 1 0 257.341 2.332 40 0 CEABRO Cc1cccc(N2CCC[C@H]([N@H+](C)Cc3cnc[nH]3)C2)n1 ZINC000257328540 371613310 /nfs/dbraw/zinc/61/33/10/371613310.db2.gz XGCSEJOMVWWDTF-HNNXBMFYSA-N 1 0 285.395 2.214 40 0 CEABRO CC[NH+](CC)CCNCc1cnn(C2CCCC2)c1 ZINC000256053613 190004768 /nfs/dbraw/zinc/00/47/68/190004768.db2.gz SCIIJOHFPVTPMI-UHFFFAOYSA-N 1 0 264.417 2.430 40 0 CEABRO CCn1nc(C)c(CNCCC[NH+](CC)CC)c1F ZINC000256054404 190005297 /nfs/dbraw/zinc/00/52/97/190005297.db2.gz WCXBUIJUVRRGDT-UHFFFAOYSA-N 1 0 270.396 2.172 40 0 CEABRO CC[NH+](CC)CCCNCc1cnn(CC(C)C)c1 ZINC000256049679 190002475 /nfs/dbraw/zinc/00/24/75/190002475.db2.gz AXWRQXLBWNNWBV-UHFFFAOYSA-N 1 0 266.433 2.361 40 0 CEABRO CC(C)[N@@H+]1CC[C@H](Cc2cnc(-c3ncco3)cn2)C1 ZINC000257200995 190011037 /nfs/dbraw/zinc/01/10/37/190011037.db2.gz AFRXXXOHPMGSTK-GFCCVEGCSA-N 1 0 272.352 2.404 40 0 CEABRO Cc1cc(-c2ccc(N)nc2)cc([C@@H]2CC[NH2+]C2)n1 ZINC000257209624 190012454 /nfs/dbraw/zinc/01/24/54/190012454.db2.gz BREQFUCHMMATRY-GFCCVEGCSA-N 1 0 254.337 2.111 40 0 CEABRO Cc1c[nH]nc1[C@H]1CC[N@@H+](Cc2ccnn2C(C)C)C1 ZINC000257210310 190012543 /nfs/dbraw/zinc/01/25/43/190012543.db2.gz BUBHZMNNGCLVKF-ZDUSSCGKSA-N 1 0 273.384 2.485 40 0 CEABRO O[C@H]1CCCC[C@H]1[NH+]1CCC(O)(c2ccccc2F)CC1 ZINC000257213683 190013116 /nfs/dbraw/zinc/01/31/16/190013116.db2.gz CIQPYJJYXVEWKF-CVEARBPZSA-N 1 0 293.382 2.413 40 0 CEABRO CC(=O)N1Cc2ccccc2OC2(CCC([NH3+])CC2)C1 ZINC000257215026 190013148 /nfs/dbraw/zinc/01/31/48/190013148.db2.gz COIZMHPGPZEXIC-UHFFFAOYSA-N 1 0 274.364 2.068 40 0 CEABRO CCCn1nccc1-c1cc(C[C@H]2CCC[NH2+]C2)ncn1 ZINC000257215600 190013514 /nfs/dbraw/zinc/01/35/14/190013514.db2.gz CQVAHTUIBSHXPC-CYBMUJFWSA-N 1 0 285.395 2.292 40 0 CEABRO Cn1cncc1C1CC[NH+](Cc2ccncc2)CC1 ZINC000257232120 190017116 /nfs/dbraw/zinc/01/71/16/190017116.db2.gz GJMMNXAIBGGQSQ-UHFFFAOYSA-N 1 0 256.353 2.195 40 0 CEABRO CCn1nccc1-c1cc(C)nc([C@@H]2CCC[NH2+]2)n1 ZINC000257244744 190019070 /nfs/dbraw/zinc/01/90/70/190019070.db2.gz IMPKSXOUYGGGHJ-NSHDSACASA-N 1 0 257.341 2.093 40 0 CEABRO Cc1cc(C)n2ncc(C[N@@H+]3CC[C@@H](c4cc[nH]n4)C3)c2n1 ZINC000257251849 190019785 /nfs/dbraw/zinc/01/97/85/190019785.db2.gz JSNBNUQNOBRHKI-CYBMUJFWSA-N 1 0 296.378 2.059 40 0 CEABRO C[NH+]1CCC(Cc2ccccc2)(C(=O)NCC2CC2)CC1 ZINC000257251688 190020345 /nfs/dbraw/zinc/02/03/45/190020345.db2.gz JRTSFTWXWHSVOK-UHFFFAOYSA-N 1 0 286.419 2.467 40 0 CEABRO CCc1nc(C)c(C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)[nH]1 ZINC000257255009 190021000 /nfs/dbraw/zinc/02/10/00/190021000.db2.gz KFSNPQLOQKEEJX-LBPRGKRZSA-N 1 0 273.384 2.383 40 0 CEABRO CC(C)n1nccc1-c1nccnc1C[C@H]1CCC[NH2+]C1 ZINC000257260966 190022156 /nfs/dbraw/zinc/02/21/56/190022156.db2.gz LFFSEWLEGQEJFQ-CYBMUJFWSA-N 1 0 285.395 2.463 40 0 CEABRO CNc1ncccc1C[N@@H+]1CCC[C@H](c2ccncn2)C1 ZINC000257281403 190026575 /nfs/dbraw/zinc/02/65/75/190026575.db2.gz OOZUPSRKNYMKON-ZDUSSCGKSA-N 1 0 283.379 2.293 40 0 CEABRO CC1(C)COC(=O)N1c1cccc([C@@H]2CCC[NH2+]C2)n1 ZINC000257291871 190027573 /nfs/dbraw/zinc/02/75/73/190027573.db2.gz QIZKTFMUWFGGGX-LLVKDONJSA-N 1 0 275.352 2.284 40 0 CEABRO Cc1cc(Nc2ccccn2)nc([C@H]2CCC[NH2+]2)n1 ZINC000257296915 190028750 /nfs/dbraw/zinc/02/87/50/190028750.db2.gz REZSUINLXBZWHH-LLVKDONJSA-N 1 0 255.325 2.348 40 0 CEABRO Nc1ccc(-c2cnc(C[C@H]3CCC[NH2+]CC3)cn2)cn1 ZINC000257300979 190029089 /nfs/dbraw/zinc/02/90/89/190029089.db2.gz RWLDOJSOWJOPFJ-LBPRGKRZSA-N 1 0 283.379 2.053 40 0 CEABRO Cc1cccnc1Nc1cc(CC2CC[NH2+]CC2)ncn1 ZINC000257315492 190032531 /nfs/dbraw/zinc/03/25/31/190032531.db2.gz VBQWTYFLFVTYEW-UHFFFAOYSA-N 1 0 283.379 2.466 40 0 CEABRO CC(=O)N1CC[N@H+](CC2CC2)[C@H](c2ccccc2)C1 ZINC000257338387 190036120 /nfs/dbraw/zinc/03/61/20/190036120.db2.gz YXDJWAGKOUHAJQ-INIZCTEOSA-N 1 0 258.365 2.302 40 0 CEABRO CC(=O)N1CC2(C[C@@]1(C)CO)CC[NH+](C1CCCC1)CC2 ZINC000257340010 190037386 /nfs/dbraw/zinc/03/73/86/190037386.db2.gz ZECZMBPZZLMJJD-INIZCTEOSA-N 1 0 294.439 2.014 40 0 CEABRO c1ccc(N2CC[C@@H]3[C@H]2CC[N@H+]3CC2CCOCC2)nc1 ZINC000306143940 376542463 /nfs/dbraw/zinc/54/24/63/376542463.db2.gz YRHITWJVNXSXKP-HZPDHXFCSA-N 1 0 287.407 2.161 40 0 CEABRO CC1(C)NC(=[NH2+])NC(=N)N1c1ccc(Cl)c(Cl)c1 ZINC000001666573 394452186 /nfs/dbraw/zinc/45/21/86/394452186.db2.gz FPULLBVUFHTKQQ-UHFFFAOYSA-N 1 0 286.166 2.179 40 0 CEABRO CCOC(=O)[C@@H](C[NH3+])C(C)(C)Nc1ccccc1 ZINC000072210414 394592315 /nfs/dbraw/zinc/59/23/15/394592315.db2.gz OLCGLIJGKHIGFG-GFCCVEGCSA-N 1 0 250.342 2.015 40 0 CEABRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCOCC2)nc1 ZINC000072216179 394593137 /nfs/dbraw/zinc/59/31/37/394593137.db2.gz QHNAMJQGCIHUHM-HNNXBMFYSA-N 1 0 275.396 2.465 40 0 CEABRO CC[N@@H+]1CCCC[C@H]1c1cccnc1N1CCOCC1 ZINC000072216239 394593256 /nfs/dbraw/zinc/59/32/56/394593256.db2.gz IWONFYSGKVFFII-HNNXBMFYSA-N 1 0 275.396 2.465 40 0 CEABRO CC(C)[N@@H+]1CCC[C@H]1c1ccc(N2CCOCC2)nc1 ZINC000072216162 394593496 /nfs/dbraw/zinc/59/34/96/394593496.db2.gz QOLXMYIPOPDACE-HNNXBMFYSA-N 1 0 275.396 2.464 40 0 CEABRO Cc1cc(N2CC[NH+](C)CC2)ncc1[C@H](O)c1ccccc1 ZINC000072223605 394594384 /nfs/dbraw/zinc/59/43/84/394594384.db2.gz CJHXDZKNSGNKQE-GOSISDBHSA-N 1 0 297.402 2.224 40 0 CEABRO Cc1cc(N2CCc3ccccc3C2)ncc1C[NH3+] ZINC000072223885 394594415 /nfs/dbraw/zinc/59/44/15/394594415.db2.gz XUUIYWDJMCSFKS-UHFFFAOYSA-N 1 0 253.349 2.411 40 0 CEABRO [NH3+]Cc1cc(Br)c(Br)o1 ZINC000050352906 394554906 /nfs/dbraw/zinc/55/49/06/394554906.db2.gz WPKYNUYQJKQQJT-UHFFFAOYSA-N 1 0 254.909 2.263 40 0 CEABRO CC[NH+]1CCN(c2ccc([C@H](O)c3ccccc3)cn2)CC1 ZINC000072225549 394595316 /nfs/dbraw/zinc/59/53/16/394595316.db2.gz BFIHRIZUPASITG-GOSISDBHSA-N 1 0 297.402 2.305 40 0 CEABRO CC[NH+]1CCN(c2ccc([C@@H](O)c3ccccc3)cn2)CC1 ZINC000072225550 394595357 /nfs/dbraw/zinc/59/53/57/394595357.db2.gz BFIHRIZUPASITG-SFHVURJKSA-N 1 0 297.402 2.305 40 0 CEABRO CCOC[C@@]12CCCO[C@H]1CC[N@H+](CC1CC1)C2 ZINC000096056857 394675985 /nfs/dbraw/zinc/67/59/85/394675985.db2.gz VOVNQHXCLCNOQM-GJZGRUSLSA-N 1 0 253.386 2.304 40 0 CEABRO CC(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCN2C(=O)c1ccco1 ZINC000096083006 394676908 /nfs/dbraw/zinc/67/69/08/394676908.db2.gz XUEKWUWOAXYEOU-QWHCGFSZSA-N 1 0 262.353 2.224 40 0 CEABRO Cc1nc(CN2CC[C@@]3(C2)C[NH2+]CCC3(F)F)cs1 ZINC000096239784 394678378 /nfs/dbraw/zinc/67/83/78/394678378.db2.gz IREFKGCVTLVIRA-LBPRGKRZSA-N 1 0 287.379 2.272 40 0 CEABRO Clc1ccnc(-c2n[nH]c3c2[C@H]2CC[C@@H](C3)[NH2+]2)c1 ZINC000096510300 394693974 /nfs/dbraw/zinc/69/39/74/394693974.db2.gz NPLOFSLBADYZRP-DTWKUNHWSA-N 1 0 260.728 2.474 40 0 CEABRO CC[C@@H]([C@@H]([NH3+])c1ccc(Cl)cc1)S(C)(=O)=O ZINC000096524877 394697048 /nfs/dbraw/zinc/69/70/48/394697048.db2.gz BWOXVNSBUYJWPU-QWRGUYRKSA-N 1 0 261.774 2.163 40 0 CEABRO [NH3+]CC1([C@@H](O)c2ccc(Br)cc2)CC1 ZINC000096527054 394697213 /nfs/dbraw/zinc/69/72/13/394697213.db2.gz NIQNWFZVNJOCLN-JTQLQIEISA-N 1 0 256.143 2.221 40 0 CEABRO COC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1Cl ZINC000217669268 400307715 /nfs/dbraw/zinc/30/77/15/400307715.db2.gz YVCKOEIZBOKVIO-MNOVXSKESA-N 1 0 253.729 2.158 40 0 CEABRO [NH3+][C@H]1CC[C@H](NC(=O)c2ccc(Br)cc2)CC1 ZINC000255189404 400316533 /nfs/dbraw/zinc/31/65/33/400316533.db2.gz PQBUNYFJIWFHCW-HAQNSBGRSA-N 1 0 297.196 2.449 40 0 CEABRO CC[NH+](CC)C[C@@H](O)CNc1c(C)cccc1C ZINC000002048296 169772564 /nfs/dbraw/zinc/77/25/64/169772564.db2.gz NRYNRXDYDDRQQP-AWEZNQCLSA-N 1 0 250.386 2.418 40 0 CEABRO O=C(C[NH+]1CCCCCC1)NCCc1ccc(F)cc1 ZINC000004968565 170046881 /nfs/dbraw/zinc/04/68/81/170046881.db2.gz JHEKGAIZRVGERM-UHFFFAOYSA-N 1 0 278.371 2.360 40 0 CEABRO C[C@H]1OC(=O)[C@H]2CC[C@H]3c4ccccc4CC[N@@H+]3[C@H]12 ZINC000005530719 170109350 /nfs/dbraw/zinc/10/93/50/170109350.db2.gz RFAUXYMFAVVSFU-SDJAHQOYSA-N 1 0 257.333 2.310 40 0 CEABRO COc1ccccc1NC(=S)NC[C@H]1CCC[N@H+](C)C1 ZINC000009876349 170388499 /nfs/dbraw/zinc/38/84/99/170388499.db2.gz SKZOXFPKXWNCEV-GFCCVEGCSA-N 1 0 293.436 2.323 40 0 CEABRO COc1ccc(S[C@@H](C)C(=O)NCCC[NH+](C)C)cc1 ZINC000020459875 171208722 /nfs/dbraw/zinc/20/87/22/171208722.db2.gz KHPFXHLSBUTXTE-LBPRGKRZSA-N 1 0 296.436 2.244 40 0 CEABRO C[C@H]1CN(Cc2nc3cc(Cl)ccc3[nH]2)CC[NH2+]1 ZINC000022122124 171354016 /nfs/dbraw/zinc/35/40/16/171354016.db2.gz VVXHUGNLADTCAF-VIFPVBQESA-N 1 0 264.760 2.010 40 0 CEABRO [NH3+]Cc1ccc(NC(=O)COCc2ccccc2)cc1 ZINC000022178444 171371538 /nfs/dbraw/zinc/37/15/38/171371538.db2.gz GCQAZQNUODXPSH-UHFFFAOYSA-N 1 0 270.332 2.301 40 0 CEABRO C[N@H+]1[C@@H]2CC[C@H]1CC(OC(=O)CNCc1cccs1)C2 ZINC000035311378 172122270 /nfs/dbraw/zinc/12/22/70/172122270.db2.gz VHXRYLXKGSAVQA-FUNVUKJBSA-N 1 0 294.420 2.006 40 0 CEABRO COc1cc(OC)c([C@H]2C[C@H]2[C@@H](C)[NH3+])c(OC)c1 ZINC000037376628 173165268 /nfs/dbraw/zinc/16/52/68/173165268.db2.gz DWPAOPGTQTXRQL-MIMYLULJSA-N 1 0 251.326 2.163 40 0 CEABRO [NH3+]C[C@H]1CCCN(Cc2ccc(Br)o2)C1 ZINC000044527843 175192470 /nfs/dbraw/zinc/19/24/70/175192470.db2.gz FGDUELZDKSAMFF-SECBINFHSA-N 1 0 273.174 2.213 40 0 CEABRO CC(C)(C)c1coc([C@@H]2COCCN2C2CC[NH2+]CC2)n1 ZINC000072322177 176369431 /nfs/dbraw/zinc/36/94/31/176369431.db2.gz ORFFJMDTYVZTJC-ZDUSSCGKSA-N 1 0 293.411 2.097 40 0 biogenic,in-vitro CEABRO CC(C)c1nccn1-c1nccnc1[C@H]1CCC[NH2+]C1 ZINC000072348380 176373278 /nfs/dbraw/zinc/37/32/78/176373278.db2.gz CCCSLHNXQAXGFA-LBPRGKRZSA-N 1 0 271.368 2.253 40 0 CEABRO Cn1cc(C[NH+]2CCC(c3ccncc3)CC2)cn1 ZINC000072351195 176374321 /nfs/dbraw/zinc/37/43/21/176374321.db2.gz HUHSLRQQMTXHFT-UHFFFAOYSA-N 1 0 256.353 2.195 40 0 CEABRO NC(=O)c1cccc(-c2cccc([C@@H]3CCC[NH2+]C3)n2)c1 ZINC000072356405 176375592 /nfs/dbraw/zinc/37/55/92/176375592.db2.gz UGLOZDXOGZDPAN-CQSZACIVSA-N 1 0 281.359 2.315 40 0 CEABRO CCS(=O)(=O)[C@H](C)[C@H]([NH3+])c1ccc(Cl)cc1 ZINC000075418394 176698517 /nfs/dbraw/zinc/69/85/17/176698517.db2.gz YRFZHFIMDNRDHX-KCJUWKMLSA-N 1 0 261.774 2.163 40 0 CEABRO CCN(Cc1ccccc1Br)C(=O)[C@H](C)[NH3+] ZINC000079420905 177488104 /nfs/dbraw/zinc/48/81/04/177488104.db2.gz BISLFWDLRBABJY-VIFPVBQESA-N 1 0 285.185 2.145 40 0 CEABRO CC[NH2+]C[C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000079437162 177490416 /nfs/dbraw/zinc/49/04/16/177490416.db2.gz SMIFDHXKKXIGIG-CQSZACIVSA-N 1 0 262.353 2.255 40 0 CEABRO C[C@@H]1CN(c2ccc(C(F)(F)F)cc2N)C[C@@H](C)[NH2+]1 ZINC000008702549 274362980 /nfs/dbraw/zinc/36/29/80/274362980.db2.gz AURPGRMGISUDJJ-RKDXNWHRSA-N 1 0 273.302 2.474 40 0 CEABRO CC(C)[NH2+]C[C@H]1COCc2nc3cc(F)ccc3n21 ZINC000096112729 275656984 /nfs/dbraw/zinc/65/69/84/275656984.db2.gz ANFHGGMUGUUFKQ-NSHDSACASA-N 1 0 263.316 2.245 40 0 biogenic,in-vitro CEABRO CCOC[C@]12CCCO[C@H]1CC[N@H+](CC1CCOCC1)C2 ZINC000096056862 276334487 /nfs/dbraw/zinc/33/44/87/276334487.db2.gz FXKMOSYEZHUKCQ-DLBZAZTESA-N 1 0 297.439 2.321 40 0 CEABRO CCO[C@H]1C[N@H+](Cc2ccc(C)o2)[C@@H]2CCCO[C@@H]21 ZINC000096057433 276359932 /nfs/dbraw/zinc/35/99/32/276359932.db2.gz LNYYZJFSAOSWHY-ILXRZTDVSA-N 1 0 265.353 2.356 40 0 CEABRO O=S1(=O)c2ccc(-c3ccsc3)cc2[C@@H]2C[NH2+]C[C@@H]21 ZINC000306143098 280352291 /nfs/dbraw/zinc/35/22/91/280352291.db2.gz XTHKFOQQZHVBNJ-JSGCOSHPSA-N 1 0 291.397 2.258 40 0 CEABRO CCCNC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000047676025 326960372 /nfs/dbraw/zinc/96/03/72/326960372.db2.gz CINXTUJRMHOZBW-UHFFFAOYSA-N 1 0 275.396 2.492 40 0 CEABRO C=Cn1ncc(C[N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)c1C ZINC000257329533 327136607 /nfs/dbraw/zinc/13/66/07/327136607.db2.gz XKJBIGFPYFIZLS-HOTGVXAUSA-N 1 0 275.396 2.419 40 0 CEABRO C[C@H](O)c1ccc(-c2ccc(C[NH2+]CCO)o2)cc1 ZINC000007540815 230370088 /nfs/dbraw/zinc/37/00/88/230370088.db2.gz HDVUQKABCCYKEW-NSHDSACASA-N 1 0 261.321 2.082 40 0 CEABRO Cc1nnc([C@H]2C[C@@H]3CC[N@H+](Cc4ccoc4)C[C@H]3O2)[nH]1 ZINC000096046197 185071506 /nfs/dbraw/zinc/07/15/06/185071506.db2.gz OZQVXAPNDIICPT-BFHYXJOUSA-N 1 0 288.351 2.058 40 0 CEABRO Cc1noc([C@@H]2C[C@H]3C[N@H+](Cc4ccsc4)C[C@H]3O2)n1 ZINC000096045789 185071858 /nfs/dbraw/zinc/07/18/58/185071858.db2.gz KQSVEJKDDNQWGT-RWMBFGLXSA-N 1 0 291.376 2.402 40 0 CEABRO CC(C)N1CCO[C@H]2C[N@H+](Cc3ccc(F)cc3)C[C@H]21 ZINC000096054279 185075457 /nfs/dbraw/zinc/07/54/57/185075457.db2.gz DFZPTOKEBFKAAL-CVEARBPZSA-N 1 0 278.371 2.119 40 0 CEABRO COC[C@]12CCCO[C@H]1CC[N@H+](Cc1scnc1C)C2 ZINC000096065001 185084334 /nfs/dbraw/zinc/08/43/34/185084334.db2.gz MPWGFTVATGFOKA-LSDHHAIUSA-N 1 0 296.436 2.469 40 0 CEABRO COc1ncccc1C[N@@H+]1CCC[C@@]2(C[C@@H](C)CO2)C1 ZINC000096073318 185087578 /nfs/dbraw/zinc/08/75/78/185087578.db2.gz PZNARHRGJCPOAI-CZUORRHYSA-N 1 0 276.380 2.481 40 0 CEABRO COc1ccc(C[N@H+]2CCC[C@]3(C[C@H](OC)CO3)C2)cc1 ZINC000096107417 185099673 /nfs/dbraw/zinc/09/96/73/185099673.db2.gz RQXYGPPQFBFRSS-IRXDYDNUSA-N 1 0 291.391 2.465 40 0 CEABRO C[C@H]([NH3+])C(=O)N(C)Cc1cccc(Cl)c1Cl ZINC000037798524 361941681 /nfs/dbraw/zinc/94/16/81/361941681.db2.gz JPCJEVPQFWUQTC-ZETCQYMHSA-N 1 0 261.152 2.299 40 0 CEABRO C[C@H]([NH3+])C(=O)N(Cc1ccccc1Br)C1CC1 ZINC000037808847 361948459 /nfs/dbraw/zinc/94/84/59/361948459.db2.gz KJBMFOPEJLAKLG-VIFPVBQESA-N 1 0 297.196 2.287 40 0 CEABRO CC(CO)(CO)[NH2+][C@@H](Cc1ccccc1)c1ccccc1 ZINC000001594041 539278699 /nfs/dbraw/zinc/27/86/99/539278699.db2.gz JLJUETCGWJORJT-KRWDZBQOSA-N 1 0 285.387 2.303 40 0 CEABRO CC(C)(C)OC(=O)N([C@@H](C(=[NH2+])NO)C1CC1)C1CC1 ZINC000409442012 344889661 /nfs/dbraw/zinc/88/96/61/344889661.db2.gz SGYSTMVSYDDAJN-SNVBAGLBSA-N 1 0 269.345 2.121 40 0 CEABRO [NH3+]C1CCC(Oc2ccc(Br)cn2)CC1 ZINC000055143589 362544366 /nfs/dbraw/zinc/54/43/66/362544366.db2.gz PNSRTVQVIJKVEL-UHFFFAOYSA-N 1 0 271.158 2.493 40 0 CEABRO CCN(Cc1ccc(Cl)nc1)C(=O)[C@@H]([NH3+])C(C)C ZINC000091351803 180137510 /nfs/dbraw/zinc/13/75/10/180137510.db2.gz LXWZRDOVGQLZFX-LBPRGKRZSA-N 1 0 269.776 2.067 40 0 CEABRO O=C(OCc1ccccc1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000091297370 180125372 /nfs/dbraw/zinc/12/53/72/180125372.db2.gz VTCIBYYNHXLWPJ-HNNXBMFYSA-N 1 0 260.337 2.151 40 0 CEABRO O=C(C[C@H]1[C@H]2C[N@@H+](Cc3ccco3)C[C@@H]12)Nc1cccnc1 ZINC000107745985 186189190 /nfs/dbraw/zinc/18/91/90/186189190.db2.gz DTSITRYRBUPYIU-MUJYYYPQSA-N 1 0 297.358 2.381 40 0 CEABRO Cc1ccc(OC[C@H](C)NC(=O)C2CC[NH+](C)CC2)cc1 ZINC000073100596 363198319 /nfs/dbraw/zinc/19/83/19/363198319.db2.gz FJEKAFBNGOPTLW-AWEZNQCLSA-N 1 0 290.407 2.220 40 0 CEABRO C[NH+](C)CCCNC(=O)COc1ccc2c(c1)CCCC2 ZINC000133363507 366217022 /nfs/dbraw/zinc/21/70/22/366217022.db2.gz LCHFHHVDZZGWRV-UHFFFAOYSA-N 1 0 290.407 2.012 40 0 CEABRO COc1ccc(CCNC(=O)CC2CC[NH+](C)CC2)cc1 ZINC000074920929 363418788 /nfs/dbraw/zinc/41/87/88/363418788.db2.gz MGNHGQQRXUFPOA-UHFFFAOYSA-N 1 0 290.407 2.086 40 0 CEABRO Clc1cc(NCCC2CC[NH2+]CC2)nc(C2CC2)n1 ZINC000329040179 202165581 /nfs/dbraw/zinc/16/55/81/202165581.db2.gz SAYLXLNEIHVEBB-UHFFFAOYSA-N 1 0 280.803 2.231 40 0 CEABRO CC(C)[N@H+](Cc1ccccc1)[C@H]1CCCN(CCO)C1 ZINC000079414286 363597632 /nfs/dbraw/zinc/59/76/32/363597632.db2.gz WCGALKBOUZMJNF-KRWDZBQOSA-N 1 0 276.424 2.354 40 0 CEABRO CN(C[C@@H]1CCCC[NH2+]1)C(=O)OCc1ccccc1 ZINC000079437743 363600575 /nfs/dbraw/zinc/60/05/75/363600575.db2.gz NOOLEWYBKHTALP-AWEZNQCLSA-N 1 0 262.353 2.397 40 0 CEABRO O=C(OCc1ccccc1)N(C[C@H]1CC[NH2+]C1)C1CC1 ZINC000079437887 363600952 /nfs/dbraw/zinc/60/09/52/363600952.db2.gz QQUBUVDSBTVPFP-AWEZNQCLSA-N 1 0 274.364 2.397 40 0 CEABRO CC(=O)c1cc2cccc(OC[C@@H](O)C[NH2+]C(C)C)c2o1 ZINC000002007481 361224462 /nfs/dbraw/zinc/22/44/62/361224462.db2.gz ZPQPDBIHYCBNIG-ZDUSSCGKSA-N 1 0 291.347 2.373 40 0 world CEABRO C[N@@H+]1CCC[C@H](NC(=O)c2cc(-c3cccs3)no2)C1 ZINC000012183384 361376226 /nfs/dbraw/zinc/37/62/26/361376226.db2.gz WXDRKDWXONLYAI-JTQLQIEISA-N 1 0 291.376 2.227 40 0 CEABRO COc1cccc(C[N@@H+]2CC[C@@H](c3nc(C)cc(=O)[nH]3)C2)c1 ZINC000019118472 361520151 /nfs/dbraw/zinc/52/01/51/361520151.db2.gz DJSJTSHPPORLPG-CQSZACIVSA-N 1 0 299.374 2.076 40 0 CEABRO CC(C)c1nc(C[C@@H]([NH3+])c2ccccc2)cc(=O)[nH]1 ZINC000019453538 361536142 /nfs/dbraw/zinc/53/61/42/361536142.db2.gz FMCRTQXUHRSZMX-CYBMUJFWSA-N 1 0 257.337 2.136 40 0 CEABRO CCn1cc(C[N@@H+]2CC[C@H](CO)C2)c2cc(OC)ccc21 ZINC000019524746 361541636 /nfs/dbraw/zinc/54/16/36/361541636.db2.gz NFPSIHVMCBYDBF-ZDUSSCGKSA-N 1 0 288.391 2.484 40 0 CEABRO COc1ccccc1CN1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000019575790 361542878 /nfs/dbraw/zinc/54/28/78/361542878.db2.gz KCENCVINDMTRRT-ZFWWWQNUSA-N 1 0 260.381 2.364 40 0 CEABRO COc1ccc(OC)c(CN2C[C@H]3CCC[N@@H+]3C[C@H]2C)c1 ZINC000019575082 361543164 /nfs/dbraw/zinc/54/31/64/361543164.db2.gz VSJROCKNJFVGFJ-UKRRQHHQSA-N 1 0 290.407 2.372 40 0 CEABRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1[nH]nnc1-c1ccccc1 ZINC000019575056 361543175 /nfs/dbraw/zinc/54/31/75/361543175.db2.gz WUUMZCWPQSDLDY-UKRRQHHQSA-N 1 0 297.406 2.140 40 0 CEABRO Cc1noc(C)c1CC(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000019717439 361548304 /nfs/dbraw/zinc/54/83/04/361548304.db2.gz NGJHIVYOXJXBKP-UHFFFAOYSA-N 1 0 293.411 2.215 40 0 CEABRO c1cc(CN2CCn3cc(C[NH+]4CCCC4)nc3C2)co1 ZINC000096197211 364408599 /nfs/dbraw/zinc/40/85/99/364408599.db2.gz ZWRCURYNJPVARZ-UHFFFAOYSA-N 1 0 286.379 2.088 40 0 CEABRO CC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccc(C)o1)C2 ZINC000096215944 364412635 /nfs/dbraw/zinc/41/26/35/364412635.db2.gz SBPFMWIHTIFWCI-MRXNPFEDSA-N 1 0 276.380 2.422 40 0 CEABRO COC[C@H]1C[N@H+](C)C[C@@]12CCN(Cc1ccc(F)cc1)C2 ZINC000096218891 364413383 /nfs/dbraw/zinc/41/33/83/364413383.db2.gz YKSHZSBFCPEVME-NVXWUHKLSA-N 1 0 292.398 2.226 40 0 CEABRO O=C1CCC[C@@]2(CCC[N@H+](Cc3ccsc3)C2)N1 ZINC000096229651 364414985 /nfs/dbraw/zinc/41/49/85/364414985.db2.gz BGKOFRSCEKCTAY-AWEZNQCLSA-N 1 0 264.394 2.383 40 0 CEABRO O=C1[C@H]2C[N@H+](Cc3ccncc3)C[C@H]2CN1c1ccccc1 ZINC000096245158 364416627 /nfs/dbraw/zinc/41/66/27/364416627.db2.gz WUDNXVQDKGVUHG-RDJZCZTQSA-N 1 0 293.370 2.176 40 0 CEABRO COc1ccc2c3c1O[C@H]1C=CC=C4[C@H](C2)[NH2+]CC[C@]341 ZINC000096316327 364420076 /nfs/dbraw/zinc/42/00/76/364420076.db2.gz CSUYNRBNNNLWIP-JDFRZJQESA-N 1 0 267.328 2.108 40 0 biogenic,in-vitro CEABRO C[N@@H+]1CCC[C@]2(CCN(C(=O)c3ccccc3)C2)C1 ZINC000096268562 364420910 /nfs/dbraw/zinc/42/09/10/364420910.db2.gz BCNOKJURHQLPAE-INIZCTEOSA-N 1 0 258.365 2.245 40 0 CEABRO Cn1cnc2c1cc(C1CC[NH2+]CC1)nc2N1CCCC1 ZINC000107493390 364710996 /nfs/dbraw/zinc/71/09/96/364710996.db2.gz KAQVKYAOWJBNIS-UHFFFAOYSA-N 1 0 285.395 2.036 40 0 CEABRO CCOc1ccc(C[NH2+]Cc2cnn(C)c2C)cc1 ZINC000160951602 367045870 /nfs/dbraw/zinc/04/58/70/367045870.db2.gz LQRUQTPDAJIZSG-UHFFFAOYSA-N 1 0 259.353 2.417 40 0 CEABRO Cc1ccnc(NC(=S)NCCC[NH+]2CCCC2)c1 ZINC000225435234 189750912 /nfs/dbraw/zinc/75/09/12/189750912.db2.gz NSUIVQHDIAVGBK-UHFFFAOYSA-N 1 0 278.425 2.162 40 0 CEABRO O[C@@H]1C[NH2+]Cc2cc(OCc3ccccc3)ccc21 ZINC000199565113 370149129 /nfs/dbraw/zinc/14/91/29/370149129.db2.gz DEOQXIVUWSQHMB-MRXNPFEDSA-N 1 0 255.317 2.402 40 0 CEABRO [NH3+][C@@H]1[C@@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218569759 370211305 /nfs/dbraw/zinc/21/13/05/370211305.db2.gz QBHRHUYTHPDMPB-KFWWJZLASA-N 1 0 291.347 2.093 40 0 CEABRO COc1cc(N[C@H]2CCC[C@@H]2[NH3+])cc(OC)c1OC ZINC000218883195 370213757 /nfs/dbraw/zinc/21/37/57/370213757.db2.gz ZWKWMKZJULGQCS-QWRGUYRKSA-N 1 0 266.341 2.004 40 0 CEABRO C[C@@H]1C[C@]1(C[NH3+])[C@@H](O)c1cccc(Br)c1 ZINC000216575931 370190141 /nfs/dbraw/zinc/19/01/41/370190141.db2.gz NZNKECSTXOMISB-JFUSQASVSA-N 1 0 270.170 2.467 40 0 CEABRO [NH3+]C[C@H]1[C@@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218038210 370204380 /nfs/dbraw/zinc/20/43/80/370204380.db2.gz KXEHYTCGVACPOM-ARFHVFGLSA-N 1 0 287.384 2.201 40 0 CEABRO [NH3+]CCSc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000224978610 370284069 /nfs/dbraw/zinc/28/40/69/370284069.db2.gz BTYCDNIGCGUXOO-UHFFFAOYSA-N 1 0 299.197 2.285 40 0 CEABRO C[NH+](C)CCCNC(=O)c1ccc2oc(Cl)nc2c1 ZINC000225975224 370327108 /nfs/dbraw/zinc/32/71/08/370327108.db2.gz ZOGZECOYKREAED-UHFFFAOYSA-N 1 0 281.743 2.163 40 0 CEABRO C[N@H+](CC1(O)CCCCCC1)[C@H]1CCCC[C@H]1O ZINC000249593976 371344003 /nfs/dbraw/zinc/34/40/03/371344003.db2.gz WGPJETARVFOASI-UONOGXRCSA-N 1 0 255.402 2.307 40 0 CEABRO c1cc(CN2CC[N@@H+]3C[C@@H](OCC4CC4)C[C@H]3C2)cs1 ZINC000253588906 371529795 /nfs/dbraw/zinc/52/97/95/371529795.db2.gz YPRUUDNUVOBELJ-HOTGVXAUSA-N 1 0 292.448 2.433 40 0 CEABRO c1cn2ccc([C@H]3CCCN3c3ncccn3)cc2n1 ZINC000257231382 371610544 /nfs/dbraw/zinc/61/05/44/371610544.db2.gz GGLVHRILJSCFTK-CYBMUJFWSA-N 1 0 265.320 2.466 40 0 CEABRO CNc1cc(C)nc([C@@]2(C)CCC[N@@H+]2C2CCOCC2)n1 ZINC000257306329 371612777 /nfs/dbraw/zinc/61/27/77/371612777.db2.gz STVOUURMJSFTTJ-MRXNPFEDSA-N 1 0 290.411 2.317 40 0 CEABRO C[NH+](C)C[C@H]1Cn2nccc2CN(CCc2ccccc2)C1 ZINC000248094246 189944591 /nfs/dbraw/zinc/94/45/91/189944591.db2.gz GEHBZYKGYCMEGC-QGZVFWFLSA-N 1 0 298.434 2.119 40 0 CEABRO O=C(Nc1nccs1)c1cccc([C@@H]2CCC[NH2+]2)n1 ZINC000257197463 190010073 /nfs/dbraw/zinc/01/00/73/190010073.db2.gz ACFJCJZVFQFRKE-VIFPVBQESA-N 1 0 274.349 2.215 40 0 CEABRO COc1ccc2[nH]c(C[N@@H+]3C[C@@H]4C[C@@H](O)C[C@@H]4C3)cc2c1 ZINC000257202777 190010973 /nfs/dbraw/zinc/01/09/73/190010973.db2.gz ANKHLSKJRJCLEW-NHAGDIPZSA-N 1 0 286.375 2.379 40 0 CEABRO C[N@@H+]1CCC[C@@H](c2cncc(N3C(=O)OCC3(C)C)n2)C1 ZINC000257212078 190013133 /nfs/dbraw/zinc/01/31/33/190013133.db2.gz CBVIEAUMDWLTSW-LLVKDONJSA-N 1 0 290.367 2.021 40 0 CEABRO c1cn2c(n1)nccc2[C@H]1CCC[N@H+]1Cc1ccncc1 ZINC000257228025 190016331 /nfs/dbraw/zinc/01/63/31/190016331.db2.gz FRZZEROJNCWHLI-CQSZACIVSA-N 1 0 279.347 2.461 40 0 CEABRO Cc1cccc(C[N@@H+]2CCCC[C@]3(C)NC(=O)CC[C@H]23)n1 ZINC000257223517 190014450 /nfs/dbraw/zinc/01/44/50/190014450.db2.gz DXSFHTMQTFJUEG-RDJZCZTQSA-N 1 0 287.407 2.413 40 0 CEABRO Cc1cc(C)nc([C@H]2CC[N@H+](CC3CCOCC3)C2)n1 ZINC000257225715 190015310 /nfs/dbraw/zinc/01/53/10/190015310.db2.gz FHLCSSAPNALSLB-HNNXBMFYSA-N 1 0 275.396 2.309 40 0 CEABRO CN(C(=O)c1cn[nH]c1[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000257244198 190019622 /nfs/dbraw/zinc/01/96/22/190019622.db2.gz IKISEWKRMXFEPC-ZDUSSCGKSA-N 1 0 270.336 2.111 40 0 CEABRO CCCn1ccnc1CN1CC[NH2+]C[C@H]1c1ccccc1 ZINC000257252817 190020465 /nfs/dbraw/zinc/02/04/65/190020465.db2.gz JWFFNQJHZUDVBX-INIZCTEOSA-N 1 0 284.407 2.440 40 0 CEABRO Cc1noc(C)c1-c1cnc(CC[C@@H]2CCC[NH2+]2)cn1 ZINC000257286387 190027369 /nfs/dbraw/zinc/02/73/69/190027369.db2.gz PLKDLYCQUUTXIF-LBPRGKRZSA-N 1 0 272.352 2.433 40 0 CEABRO Cc1cc(C)nc(Nc2cc(CC3CC[NH2+]CC3)ncn2)n1 ZINC000257274060 190024827 /nfs/dbraw/zinc/02/48/27/190024827.db2.gz NJJJIOQEDFJGPH-UHFFFAOYSA-N 1 0 298.394 2.169 40 0 CEABRO CC1(C)COC(=O)N1c1cccc([C@H]2CCC[NH2+]C2)n1 ZINC000257291872 190027914 /nfs/dbraw/zinc/02/79/14/190027914.db2.gz QIZKTFMUWFGGGX-NSHDSACASA-N 1 0 275.352 2.284 40 0 CEABRO CNC(=O)[C@@]1(C)C[N@H+](Cc2ccc3ccccc3c2)CCO1 ZINC000257301883 190030217 /nfs/dbraw/zinc/03/02/17/190030217.db2.gz SAJQHKPIUJAOEB-GOSISDBHSA-N 1 0 298.386 2.177 40 0 CEABRO Cc1c(C[N@@H+]2CC[C@H](Cc3nccs3)C2)cnn1C ZINC000257301143 190030664 /nfs/dbraw/zinc/03/06/64/190030664.db2.gz RXDOWZIUABEXGQ-GFCCVEGCSA-N 1 0 276.409 2.250 40 0 CEABRO C[NH+]1CCC(c2ccnc(Nc3ccccn3)n2)CC1 ZINC000257316092 190032910 /nfs/dbraw/zinc/03/29/10/190032910.db2.gz VEBUYUQNWKVDEK-UHFFFAOYSA-N 1 0 269.352 2.424 40 0 CEABRO Cc1cccnc1C(=O)N1CCC[C@@]2(C)[C@@H]1CCC[N@H+]2C ZINC000257317110 190032976 /nfs/dbraw/zinc/03/29/76/190032976.db2.gz VILOLMSCECBULV-YOEHRIQHSA-N 1 0 287.407 2.479 40 0 CEABRO Cc1nc[nH]c1C[NH+]1CCC(c2ccnc3ccnn32)CC1 ZINC000257336134 190036185 /nfs/dbraw/zinc/03/61/85/190036185.db2.gz YNIWJERDLYICDP-UHFFFAOYSA-N 1 0 296.378 2.140 40 0 CEABRO CN(C)c1cc([C@@H]2CCC[N@H+](Cc3ccn(C)n3)C2)ccn1 ZINC000257340588 190036818 /nfs/dbraw/zinc/03/68/18/190036818.db2.gz ZGUTVNQPEOVQEB-OAHLLOKOSA-N 1 0 299.422 2.261 40 0 CEABRO C[C@@H]1CC[C@H](CNC(=O)OCc2ccccc2)[NH2+]C1 ZINC000261508827 190040662 /nfs/dbraw/zinc/04/06/62/190040662.db2.gz XLEVDWOUHGBDKF-TZMCWYRMSA-N 1 0 262.353 2.301 40 0 CEABRO O=c1[nH]c2c(s1)CCC[C@@H]2C[NH+]1CCCCC1 ZINC000001656004 285197455 /nfs/dbraw/zinc/19/74/55/285197455.db2.gz TWJMLASFDJYHCG-SNVBAGLBSA-N 1 0 252.383 2.342 40 0 CEABRO CC(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCN2C(=O)c1ccncc1 ZINC000096184277 256815310 /nfs/dbraw/zinc/81/53/10/256815310.db2.gz ADHOWNKMEARKCE-LSDHHAIUSA-N 1 0 273.380 2.026 40 0 CEABRO C[C@H]([NH2+]Cc1cccnc1)C(=O)Nc1ccccc1 ZINC000020299702 394472938 /nfs/dbraw/zinc/47/29/38/394472938.db2.gz POJKKIMZYJRPAU-LBPRGKRZSA-N 1 0 255.321 2.198 40 0 CEABRO COC(=O)[C@@H]1C[C@H]2c3[nH]c4ccccc4c3CC[N@H+]2C1 ZINC000031719759 394486996 /nfs/dbraw/zinc/48/69/96/394486996.db2.gz XKJYWJCEEMLZSB-YGRLFVJLSA-N 1 0 270.332 2.260 40 0 CEABRO CN(C)C(=O)C[C@H](c1ccccc1)C1CC[NH2+]CC1 ZINC000072208358 394592251 /nfs/dbraw/zinc/59/22/51/394592251.db2.gz BMKPJFIIGKQWTL-OAHLLOKOSA-N 1 0 260.381 2.248 40 0 CEABRO CC[C@H]([NH3+])c1cnc(I)c(C)c1 ZINC000072225963 394595300 /nfs/dbraw/zinc/59/53/00/394595300.db2.gz QBEXOEQNYUZLNX-QMMMGPOBSA-N 1 0 276.121 2.404 40 0 CEABRO CC[C@@H]([NH3+])c1ccc(I)nc1 ZINC000072225937 394595429 /nfs/dbraw/zinc/59/54/29/394595429.db2.gz NVQVPVAKDGEFSR-SSDOTTSWSA-N 1 0 262.094 2.096 40 0 CEABRO CC[C@H]([C@H]([NH3+])c1cccc(Cl)c1)S(C)(=O)=O ZINC000096524864 394697358 /nfs/dbraw/zinc/69/73/58/394697358.db2.gz JCTBSICHYIMVTC-GHMZBOCLSA-N 1 0 261.774 2.163 40 0 CEABRO COc1ccc(C(=O)Nc2ccc(C[NH3+])cc2)cc1OC ZINC000020224337 171086640 /nfs/dbraw/zinc/08/66/40/171086640.db2.gz SODQIEHNNTYIQS-UHFFFAOYSA-N 1 0 286.331 2.415 40 0 CEABRO COc1cc(OC)cc(C(=O)Nc2ccc(C[NH3+])cc2)c1 ZINC000020224334 171087021 /nfs/dbraw/zinc/08/70/21/171087021.db2.gz HYEFEYFXZUWZIJ-UHFFFAOYSA-N 1 0 286.331 2.415 40 0 CEABRO COc1ccc(CC[NH2+]Cc2cn(C)nc2C)cc1OC ZINC000020312150 171144766 /nfs/dbraw/zinc/14/47/66/171144766.db2.gz URDABDUZXPZCPC-UHFFFAOYSA-N 1 0 289.379 2.078 40 0 CEABRO Cc1ccc([C@@H](C[NH3+])N2C[C@@H](C)O[C@@H](C)C2)cc1C ZINC000037179889 173012915 /nfs/dbraw/zinc/01/29/15/173012915.db2.gz CMKDMFWNQQCGKG-IJEWVQPXSA-N 1 0 262.397 2.412 40 0 CEABRO COc1ccc(OC)c([C@@H](C[NH3+])N2CCC(C)CC2)c1 ZINC000038827645 174156888 /nfs/dbraw/zinc/15/68/88/174156888.db2.gz YMXPDGOMTISLEZ-OAHLLOKOSA-N 1 0 278.396 2.436 40 0 CEABRO CCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000038857450 174157864 /nfs/dbraw/zinc/15/78/64/174157864.db2.gz NHTWGAXDXYMUJZ-OAHLLOKOSA-N 1 0 260.381 2.425 40 0 CEABRO Cc1nccn1-c1cccc([C@@H]2CCC[N@@H+](C)C2)n1 ZINC000072355667 176375146 /nfs/dbraw/zinc/37/51/46/176375146.db2.gz CMHJUKZFOODYNP-CYBMUJFWSA-N 1 0 256.353 2.385 40 0 CEABRO OC[C@@H]1CCC[N@H+](Cc2cccn2-c2cccnc2)C1 ZINC000072397793 176395673 /nfs/dbraw/zinc/39/56/73/176395673.db2.gz WJIKCWUJUHFSAM-CQSZACIVSA-N 1 0 271.364 2.077 40 0 CEABRO CSc1ccc(CN(C(=O)[C@H](C)[NH3+])C2CC2)cc1 ZINC000079420600 177488072 /nfs/dbraw/zinc/48/80/72/177488072.db2.gz ZFXKJZZIPRWPRO-JTQLQIEISA-N 1 0 264.394 2.247 40 0 CEABRO CC(C)[C@H](NC(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2)C(F)(F)F ZINC000667462951 419682680 /nfs/dbraw/zinc/68/26/80/419682680.db2.gz BBKCGVCZOGYFIJ-IXMYILBSSA-N 1 0 293.333 2.156 40 0 CEABRO Fc1cccc(N2CCOC[C@@]3(CCC[NH2+]C3)C2)c1 ZINC000096229339 265337355 /nfs/dbraw/zinc/33/73/55/265337355.db2.gz GUWLOWJKLYNIMI-OAHLLOKOSA-N 1 0 264.344 2.032 40 0 CEABRO COc1ccc2nc3n(c2c1)[C@@H](C[NH2+]C1CCC1)COC3 ZINC000096112624 274143920 /nfs/dbraw/zinc/14/39/20/274143920.db2.gz WOOIPRSDETXYMI-LBPRGKRZSA-N 1 0 287.363 2.258 40 0 biogenic,in-vitro CEABRO CCSC1=C(C(N)=O)C(=[NH2+])n2c1cc1c2CCCC1 ZINC000005593153 276394252 /nfs/dbraw/zinc/39/42/52/276394252.db2.gz IIHMFQQCDJXZDS-UHFFFAOYSA-N 1 0 275.377 2.155 40 0 CEABRO CNC(=O)c1sc2nc([C@H]3CCC[N@@H+]3C)ccc2c1N ZINC000257328139 277262457 /nfs/dbraw/zinc/26/24/57/277262457.db2.gz XEIIAEWHJZFPKD-SNVBAGLBSA-N 1 0 290.392 2.005 40 0 CEABRO Cc1cccc(OC[C@@H](O)C[N@H+]2CCC[C@@H](C)C2)c1 ZINC000002696076 281250520 /nfs/dbraw/zinc/25/05/20/281250520.db2.gz SVKRAUOKQPVBIT-CABCVRRESA-N 1 0 263.381 2.467 40 0 CEABRO [NH3+][C@@H]1CCCN(C(=O)C2CC2)[C@H]1c1ccccc1F ZINC000019368244 303454274 /nfs/dbraw/zinc/45/42/74/303454274.db2.gz HNDQZZPVIBEEMQ-KGLIPLIRSA-N 1 0 262.328 2.227 40 0 CEABRO C[NH2+][C@H]1CCCN(c2cc(Cl)nc(SC)n2)C1 ZINC000072203251 536414832 /nfs/dbraw/zinc/41/48/32/536414832.db2.gz RRWCUSQPWTZYED-QMMMGPOBSA-N 1 0 272.805 2.040 40 0 CEABRO O=C(c1cccc(F)c1)N1CCC[C@]2(CCC[NH2+]C2)C1 ZINC000033426380 361779632 /nfs/dbraw/zinc/77/96/32/361779632.db2.gz FBOMDWOAAXNDSR-INIZCTEOSA-N 1 0 276.355 2.432 40 0 CEABRO c1coc(C[N@@H+]2CCC[C@@]3(C[C@H](n4ccnc4)CO3)C2)c1 ZINC000096048545 185073033 /nfs/dbraw/zinc/07/30/33/185073033.db2.gz ODJOIXLINXIUPZ-GOEBONIOSA-N 1 0 287.363 2.472 40 0 CEABRO Cc1nc(C[N@@H+]2CCC[C@@]3(CCC(=O)N3)CC2)cs1 ZINC000096047450 185073086 /nfs/dbraw/zinc/07/30/86/185073086.db2.gz AKQHMSPYTFMNPL-CQSZACIVSA-N 1 0 279.409 2.086 40 0 CEABRO Cc1nc(C[N@@H+]2CCC[C@]3(CCC(=O)N3)CC2)cs1 ZINC000096047451 185073637 /nfs/dbraw/zinc/07/36/37/185073637.db2.gz AKQHMSPYTFMNPL-AWEZNQCLSA-N 1 0 279.409 2.086 40 0 CEABRO CN1C(=O)CCC[C@]12CCC[N@H+](Cc1cccnc1)C2 ZINC000096049970 185074228 /nfs/dbraw/zinc/07/42/28/185074228.db2.gz LJXJXJRYWSAPDB-MRXNPFEDSA-N 1 0 273.380 2.059 40 0 CEABRO Cc1nnc([C@@H]2CC[C@@H]3[C@@H](CC[N@@H+]3Cc3ccoc3)O2)o1 ZINC000096057383 185077201 /nfs/dbraw/zinc/07/72/01/185077201.db2.gz YQMZTYMRQYNBEJ-MCIONIFRSA-N 1 0 289.335 2.466 40 0 CEABRO O[C@@H]1CC[N@H+](Cc2cccs2)[C@H]1Cc1cccnc1 ZINC000096061599 185082623 /nfs/dbraw/zinc/08/26/23/185082623.db2.gz YPWUYYGQDDDCOQ-LSDHHAIUSA-N 1 0 274.389 2.321 40 0 CEABRO Cc1cc(C[NH2+][C@H]2CCc3[nH]c(=O)ccc3C2)oc1C ZINC000096067552 185085644 /nfs/dbraw/zinc/08/56/44/185085644.db2.gz VOGYYKDYRSHRFO-ZDUSSCGKSA-N 1 0 272.348 2.232 40 0 CEABRO c1cc(CN2CCC3(C[NH+](C4CCOCC4)C3)C2)cs1 ZINC000096070935 185087065 /nfs/dbraw/zinc/08/70/65/185087065.db2.gz XEGFKKPXKRRXDJ-UHFFFAOYSA-N 1 0 292.448 2.435 40 0 CEABRO C[N@@H+]1CCC[C@@]2(CCN(Cc3cccc(F)c3)C2=O)C1 ZINC000096074101 185088289 /nfs/dbraw/zinc/08/82/89/185088289.db2.gz NYZLNQASSTUCDJ-MRXNPFEDSA-N 1 0 276.355 2.270 40 0 CEABRO COCC[N@@H+]1CC[C@@H]2CN(Cc3ccccc3F)C[C@@H]2C1 ZINC000096081396 185091738 /nfs/dbraw/zinc/09/17/38/185091738.db2.gz HLONYWFVFKSJIE-ZBFHGGJFSA-N 1 0 292.398 2.226 40 0 CEABRO [NH3+]CCCN1C(=O)S[C@@H](Cc2ccc(Cl)cc2)C1=O ZINC000036636018 361849361 /nfs/dbraw/zinc/84/93/61/361849361.db2.gz BIXAQPPSEWFXAU-NSHDSACASA-N 1 0 298.795 2.295 40 0 CEABRO CCCOc1c(OC)cc(C[C@@H](C)[NH3+])cc1OC ZINC000037728714 361925527 /nfs/dbraw/zinc/92/55/27/361925527.db2.gz KKMCHCCXGKYEKJ-SNVBAGLBSA-N 1 0 253.342 2.382 40 0 in-vitro CEABRO CN(C)C(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CCC[NH2+]1 ZINC000019696565 343374580 /nfs/dbraw/zinc/37/45/80/343374580.db2.gz UTWBMTRBLIZENA-QGZVFWFLSA-N 1 0 299.374 2.095 40 0 CEABRO CNc1cc(N2CCc3cc(OC)ccc3C2)nc(C)[nH+]1 ZINC000328976808 136396984 /nfs/dbraw/zinc/39/69/84/136396984.db2.gz FQGURFJWTFKNNR-UHFFFAOYSA-N 1 0 284.363 2.398 40 0 CEABRO CSc1nc(C)c(C[NH+]2CCC(C)CC2)c(=O)[nH]1 ZINC000062701952 343672726 /nfs/dbraw/zinc/67/27/26/343672726.db2.gz YLOFUINHEBKJMR-UHFFFAOYSA-N 1 0 267.398 2.032 40 0 CEABRO CC(C)[N@@H+]1CC[C@H](c2nnc(-c3cccnc3)o2)C1 ZINC000049169709 362343059 /nfs/dbraw/zinc/34/30/59/362343059.db2.gz VFMCPOFROHWYOO-LBPRGKRZSA-N 1 0 258.325 2.329 40 0 biogenic,in-vitro CEABRO Cn1nccc1-c1cccc(CC2CC[NH2+]CC2)n1 ZINC000585180207 345009485 /nfs/dbraw/zinc/00/94/85/345009485.db2.gz WWMHJHNHBVBYHP-UHFFFAOYSA-N 1 0 256.353 2.024 40 0 CEABRO Cc1ccc2cc(C[NH2+][C@H](CO)C(C)C)c(=O)[nH]c2c1 ZINC000585295174 345010553 /nfs/dbraw/zinc/01/05/53/345010553.db2.gz OKFOXXZHNYWKKD-OAHLLOKOSA-N 1 0 274.364 2.355 40 0 CEABRO C[C@@H]1C[NH2+]CCN1C(=O)c1ccc(C(C)(C)C)cc1 ZINC000054370276 362531750 /nfs/dbraw/zinc/53/17/50/362531750.db2.gz GANBHQMEENLVLD-GFCCVEGCSA-N 1 0 260.381 2.418 40 0 CEABRO C[C@H]1C[NH2+]CCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000054370301 362532262 /nfs/dbraw/zinc/53/22/62/362532262.db2.gz YWLCRESFGSOMRL-QMMMGPOBSA-N 1 0 273.163 2.427 40 0 CEABRO CCCOc1ccc([C@H](O)C2(C[NH3+])CCOCC2)cc1 ZINC000085395717 179049286 /nfs/dbraw/zinc/04/92/86/179049286.db2.gz ZJERXGACZXFPNM-HNNXBMFYSA-N 1 0 279.380 2.264 40 0 CEABRO CN(C)C(=O)NC1CC2(C1)CC[NH+](Cc1ccco1)CC2 ZINC000108532381 186222448 /nfs/dbraw/zinc/22/24/48/186222448.db2.gz HNOFPPIXQCVVAP-UHFFFAOYSA-N 1 0 291.395 2.295 40 0 CEABRO O=C1NCC[C@@]12CCC[N@H+](Cc1ccsc1)CC2 ZINC000108532377 186222470 /nfs/dbraw/zinc/22/24/70/186222470.db2.gz LRNZOGHWDQEIKA-CQSZACIVSA-N 1 0 264.394 2.240 40 0 CEABRO C[NH+]1CCC(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000074921002 363418699 /nfs/dbraw/zinc/41/86/99/363418699.db2.gz NQCJZXPZEWTVBR-UHFFFAOYSA-N 1 0 250.317 2.496 40 0 CEABRO C1C[NH2+][C@H](c2nc([C@H]3CCCSCC3)no2)C1 ZINC000575415043 366281314 /nfs/dbraw/zinc/28/13/14/366281314.db2.gz LXHDUNREGKZGCJ-UWVGGRQHSA-N 1 0 253.371 2.495 40 0 CEABRO CC(C)[C@H]([NH3+])C(=O)N(C(C)C)[C@H](C)c1nccs1 ZINC000079436410 363599940 /nfs/dbraw/zinc/59/99/40/363599940.db2.gz ZHKAVAMWGLKIBG-MNOVXSKESA-N 1 0 269.414 2.424 40 0 CEABRO CC(C)(C)OC(=O)N1CCC2(CC1)COCC1(CCC1)[NH2+]2 ZINC000306145389 540411880 /nfs/dbraw/zinc/41/18/80/540411880.db2.gz DAIYHMGWTMAULF-UHFFFAOYSA-N 1 0 296.411 2.299 40 0 CEABRO C[C@H](NC(=O)[C@@H]1CCC[N@H+](C)C1)c1ccc(F)cc1 ZINC000081229408 363706455 /nfs/dbraw/zinc/70/64/55/363706455.db2.gz NFDYWPSMUKIVND-WCQYABFASA-N 1 0 264.344 2.345 40 0 CEABRO CC(=O)Nc1ccc(OCC[n+]2ccccc2)cc1 ZINC000000297621 361158153 /nfs/dbraw/zinc/15/81/53/361158153.db2.gz JWVQBZSQLFFTBU-UHFFFAOYSA-O 1 0 257.313 2.012 40 0 CEABRO CCO[P@](C)(=O)[C@H]([NH3+])Cc1ccc(OC)c(OC)c1 ZINC000001643262 361213975 /nfs/dbraw/zinc/21/39/75/361213975.db2.gz MKZYOIOCNIKTSN-DJJJIMSYSA-N 1 0 287.296 2.476 40 0 CEABRO CCOc1ccc(C(=O)OCC[NH2+]CC(C)C)cc1N ZINC000001661090 361214680 /nfs/dbraw/zinc/21/46/80/361214680.db2.gz DOXPOLYQRGKFKF-UHFFFAOYSA-N 1 0 280.368 2.070 40 0 CEABRO CC(C)(C)OC(=O)NCCc1ccc(CC(N)=[NH2+])cc1 ZINC000002599205 361242513 /nfs/dbraw/zinc/24/25/13/361242513.db2.gz SFKOPNLWVRHZLB-UHFFFAOYSA-N 1 0 277.368 2.232 40 0 CEABRO CCC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000006515816 361336998 /nfs/dbraw/zinc/33/69/98/361336998.db2.gz OGEFYZIATMCIMK-UHFFFAOYSA-N 1 0 261.369 2.177 40 0 CEABRO CCC(=O)N1CCc2cc([C@H](O)C[NH+]3CCCC3)ccc21 ZINC000012181080 361374914 /nfs/dbraw/zinc/37/49/14/361374914.db2.gz IZRAIMQFVMKNHJ-MRXNPFEDSA-N 1 0 288.391 2.115 40 0 CEABRO CC(C)(C)OC(=O)NCCC[C@H]([NH3+])c1ccccn1 ZINC000012357265 361378974 /nfs/dbraw/zinc/37/89/74/361378974.db2.gz NIWBFVHKDGAWMI-NSHDSACASA-N 1 0 265.357 2.386 40 0 CEABRO COc1ccccc1NC(=O)NCCC[NH+]1CCCC1 ZINC000017742388 361511225 /nfs/dbraw/zinc/51/12/25/361511225.db2.gz JHRYLAYJNUIWEW-UHFFFAOYSA-N 1 0 277.368 2.303 40 0 CEABRO COc1cc(OC)cc([C@H](C[NH3+])N2CCC(C)CC2)c1 ZINC000019840854 361561577 /nfs/dbraw/zinc/56/15/77/361561577.db2.gz HGVJAWYAYJJGDN-INIZCTEOSA-N 1 0 278.396 2.436 40 0 CEABRO Cc1nn(C)cc1-c1cncn1CCC[NH+]1CCCCC1 ZINC000019719443 361549024 /nfs/dbraw/zinc/54/90/24/361549024.db2.gz WWQBALNQTUGGDH-UHFFFAOYSA-N 1 0 287.411 2.468 40 0 CEABRO O=C1CC[C@]2(c3ccccc3)[NH2+][C@H]3CCCC[C@@H]3N12 ZINC000020503097 361583371 /nfs/dbraw/zinc/58/33/71/361583371.db2.gz QSDUYCSKFAKVPE-DZKIICNBSA-N 1 0 256.349 2.376 40 0 CEABRO COc1cccc(-c2nnc([C@@H]3CCC[NH2+]C3)o2)c1 ZINC000032110956 361728162 /nfs/dbraw/zinc/72/81/62/361728162.db2.gz LJAIQDKOGDVGHE-LLVKDONJSA-N 1 0 259.309 2.212 40 0 CEABRO Cc1nc(-c2ccccc2)nc2c1CC[N@H+](C)CC2 ZINC000096083789 364400523 /nfs/dbraw/zinc/40/05/23/364400523.db2.gz HBSQPCLIACHKSW-UHFFFAOYSA-N 1 0 253.349 2.482 40 0 CEABRO CN1c2ccccc2[C@@]2(CC[N@H+](CC3CCC3)C2)C1=O ZINC000096244808 364417082 /nfs/dbraw/zinc/41/70/82/364417082.db2.gz BFWZCPNOBWAAIT-KRWDZBQOSA-N 1 0 270.376 2.407 40 0 CEABRO CC(C)Nc1ncnc2c1CC[N@H+](CC1CC1)CC2 ZINC000096255538 364418534 /nfs/dbraw/zinc/41/85/34/364418534.db2.gz VPIAVHZNWDFEFB-UHFFFAOYSA-N 1 0 260.385 2.108 40 0 CEABRO Nc1ccc(C(=O)N[C@H]2c3ccccc3[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC000096268356 364419792 /nfs/dbraw/zinc/41/97/92/364419792.db2.gz MQNRYPNYRZLRSA-ULQDDVLXSA-N 1 0 293.370 2.057 40 0 CEABRO CCCn1cc(CNCCC[NH+](CC)CC)cn1 ZINC000116911907 365081076 /nfs/dbraw/zinc/08/10/76/365081076.db2.gz JZNRYOLVHNDLHE-UHFFFAOYSA-N 1 0 252.406 2.115 40 0 CEABRO C[C@@H]1c2ncc(CCOCc3ccccn3)n2CC[N@H+]1C ZINC000585096837 367177603 /nfs/dbraw/zinc/17/76/03/367177603.db2.gz BMVWNXZPCWNUCP-CYBMUJFWSA-N 1 0 286.379 2.044 40 0 CEABRO S=C(NCCC[NH+]1CCCCC1)Nc1cccnc1 ZINC000225411579 189750242 /nfs/dbraw/zinc/75/02/42/189750242.db2.gz AGGMUGDEOVBPMN-UHFFFAOYSA-N 1 0 278.425 2.244 40 0 CEABRO O[C@H]1C[NH2+]Cc2cc(OCc3ccccc3)ccc21 ZINC000199565100 370148991 /nfs/dbraw/zinc/14/89/91/370148991.db2.gz DEOQXIVUWSQHMB-INIZCTEOSA-N 1 0 255.317 2.402 40 0 CEABRO COc1ccc(C(=O)NC2CC[NH+](C)CC2)cc1Cl ZINC000224274113 370277643 /nfs/dbraw/zinc/27/76/43/370277643.db2.gz ICMCHKHQLZPXCU-UHFFFAOYSA-N 1 0 282.771 2.173 40 0 CEABRO C[N@@H+]1CC[C@H]2OCCC[C@@]2(COc2ncccc2F)C1 ZINC000248021966 371155637 /nfs/dbraw/zinc/15/56/37/371155637.db2.gz JDMVDVDTOQKFQM-HIFRSBDPSA-N 1 0 280.343 2.100 40 0 CEABRO Cc1nc(CO[C@H]2CSC3(C[NH+](C)C3)C2)cs1 ZINC000248015741 371155801 /nfs/dbraw/zinc/15/58/01/371155801.db2.gz HLTLFGBEDABONB-LLVKDONJSA-N 1 0 270.423 2.158 40 0 CEABRO COc1ccccc1[C@@H]1CN(c2cc(C)ncn2)CCN1C ZINC000257285704 371610745 /nfs/dbraw/zinc/61/07/45/371610745.db2.gz PIJOTXCDGAMIOZ-HNNXBMFYSA-N 1 0 298.390 2.287 40 0 CEABRO CNc1cc([C@@H]2CCC[N@@H+]2C2CCOCC2)nc(C)n1 ZINC000257205045 371611608 /nfs/dbraw/zinc/61/16/08/371611608.db2.gz AXKFUOFCOBHMBN-AWEZNQCLSA-N 1 0 276.384 2.143 40 0 CEABRO CC(C)n1nc(C2CC2)cc1CNCCC[NH+](C)C ZINC000256053382 190004709 /nfs/dbraw/zinc/00/47/09/190004709.db2.gz RFOOXCMCSQIHAS-UHFFFAOYSA-N 1 0 264.417 2.383 40 0 CEABRO CCn1nccc1-c1cncc(C[C@H]2CCC[N@H+](C)C2)n1 ZINC000257203020 190010736 /nfs/dbraw/zinc/01/07/36/190010736.db2.gz AOICLKCFLTUYFE-CYBMUJFWSA-N 1 0 285.395 2.244 40 0 CEABRO c1ccc(CCNc2cccc(C[C@@H]3CC[NH2+]C3)n2)nc1 ZINC000257210839 190012725 /nfs/dbraw/zinc/01/27/25/190012725.db2.gz BWJPBFBDTGXKRH-AWEZNQCLSA-N 1 0 282.391 2.283 40 0 CEABRO CCc1onc(C)c1-c1cccc([C@@H]2C[NH2+]CCO2)n1 ZINC000257224047 190015740 /nfs/dbraw/zinc/01/57/40/190015740.db2.gz FACCIUHCTQABDR-AWEZNQCLSA-N 1 0 273.336 2.268 40 0 CEABRO Cc1noc(C)c1-c1nc([C@H]2CCC[NH2+]C2)ccc1CO ZINC000257283112 190026418 /nfs/dbraw/zinc/02/64/18/190026418.db2.gz OWUSRYSUHDOXLW-LBPRGKRZSA-N 1 0 287.363 2.313 40 0 CEABRO Cc1c[nH]nc1C[C@@H]1CCC[N@H+](Cc2ccnc(C)n2)C1 ZINC000257308613 190031495 /nfs/dbraw/zinc/03/14/95/190031495.db2.gz TXJQPROJDQSXQR-AWEZNQCLSA-N 1 0 285.395 2.271 40 0 CEABRO Cc1cccc(Nc2cncc(C3CC[NH2+]CC3)n2)n1 ZINC000257297066 190029770 /nfs/dbraw/zinc/02/97/70/190029770.db2.gz RFQJELHFKVURHN-UHFFFAOYSA-N 1 0 269.352 2.391 40 0 CEABRO O=C(CCC1CCCC1)N[C@@H]1CC[C@@H]([NH+]2CCCC2)[C@@H]1O ZINC000257317990 190032809 /nfs/dbraw/zinc/03/28/09/190032809.db2.gz VMAUPRIFQJSPMX-BFYDXBDKSA-N 1 0 294.439 2.061 40 0 CEABRO CCn1nccc1-c1cccc(C2CC[NH2+]CC2)n1 ZINC000257332412 190035759 /nfs/dbraw/zinc/03/57/59/190035759.db2.gz XXFUMVXYUCLTTK-UHFFFAOYSA-N 1 0 256.353 2.432 40 0 CEABRO CC(C)[N@@H+]1CCC[C@@H](c2cncc(-c3ncc[nH]3)n2)C1 ZINC000257335820 190036498 /nfs/dbraw/zinc/03/64/98/190036498.db2.gz YMAMGRZGKSKAKW-GFCCVEGCSA-N 1 0 271.368 2.455 40 0 CEABRO Nc1nccnc1C[C@@H]1CCC[N@H+](CCC(F)(F)F)C1 ZINC000257341417 190037232 /nfs/dbraw/zinc/03/72/32/190037232.db2.gz ZKEZVWAKJDAUJU-JTQLQIEISA-N 1 0 288.317 2.266 40 0 CEABRO O=C(N[C@@]1(C(F)(F)F)CC[NH2+]C1)OCc1ccccc1 ZINC000259896314 190038719 /nfs/dbraw/zinc/03/87/19/190038719.db2.gz OGGWUDKKVMURTA-LBPRGKRZSA-N 1 0 288.269 2.207 40 0 CEABRO Cc1ccc(N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2ccccn2)nn1 ZINC000306127594 376540625 /nfs/dbraw/zinc/54/06/25/376540625.db2.gz GCYODMMXAMATDJ-JKSUJKDBSA-N 1 0 295.390 2.033 40 0 CEABRO CC[N@H+](Cc1ccccc1)[C@H]1CC[C@H]([NH2+]CC(=O)[O-])CC1 ZINC000100177948 285116471 /nfs/dbraw/zinc/11/64/71/285116471.db2.gz SYVYCADJXVQLMC-IYBDPMFKSA-N 1 0 290.407 2.494 40 0 CEABRO O=c1[nH]c(-c2ccc(C(F)(F)F)cc2)nc2c1CC[NH2+]C2 ZINC000072221331 285193575 /nfs/dbraw/zinc/19/35/75/285193575.db2.gz CVJCLRKSXWCYRA-UHFFFAOYSA-N 1 0 295.264 2.101 40 0 CEABRO C[NH+](C)[C@@H]1CCN(C(=O)c2ccco2)[C@H]1Cc1cccnc1 ZINC000096200840 256821636 /nfs/dbraw/zinc/82/16/36/256821636.db2.gz PXQUWURFPHAROY-CABCVRRESA-N 1 0 299.374 2.062 40 0 CEABRO C[C@H]1c2cc(-c3csc(NC(=N)N)n3)ccc2NC1=O ZINC000004993900 394456487 /nfs/dbraw/zinc/45/64/87/394456487.db2.gz CQUNHLZVPLLHNG-LURJTMIESA-N 1 0 287.348 2.171 40 0 CEABRO [NH3+][C@@H]1CCCN(C(=O)c2ccc(F)cc2Cl)C1 ZINC000041028262 394500629 /nfs/dbraw/zinc/50/06/29/394500629.db2.gz VGJFCDHBLIRRGF-SECBINFHSA-N 1 0 256.708 2.042 40 0 CEABRO C[C@H]1C[NH2+]CCN1C(=O)c1ccc2ccccc2c1 ZINC000054370320 394559875 /nfs/dbraw/zinc/55/98/75/394559875.db2.gz ZVNDUDFNSYKRDR-LBPRGKRZSA-N 1 0 254.333 2.274 40 0 CEABRO [NH3+]Cc1ccc(S(=O)(=O)CC2CCCC2)cc1 ZINC000072220986 394594557 /nfs/dbraw/zinc/59/45/57/394594557.db2.gz HVMSUGDYRZCZPE-UHFFFAOYSA-N 1 0 253.367 2.109 40 0 CEABRO CON(C)C(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000083291150 394640438 /nfs/dbraw/zinc/64/04/38/394640438.db2.gz GTHXAOJWKPSWNU-CQSZACIVSA-N 1 0 262.353 2.061 40 0 CEABRO [NH3+]CC1([C@@H](O)c2cccc(Cl)c2)CCOCC1 ZINC000085395762 394642482 /nfs/dbraw/zinc/64/24/82/394642482.db2.gz QXFYQNMXPSJNKV-LBPRGKRZSA-N 1 0 255.745 2.129 40 0 CEABRO Fc1ccc(-c2cc(N3CCC[NH2+]CC3)ncn2)cc1 ZINC000096516872 394694124 /nfs/dbraw/zinc/69/41/24/394694124.db2.gz VIPQLZBAKWDVKI-UHFFFAOYSA-N 1 0 272.327 2.082 40 0 CEABRO CCOc1cc2c(cc1OCC)CN([C@H]1CC[NH2+]C1)CC2 ZINC000096528105 394697337 /nfs/dbraw/zinc/69/73/37/394697337.db2.gz VDMWFSPJIWXZQE-HNNXBMFYSA-N 1 0 290.407 2.204 40 0 CEABRO COc1cc(OC)cc([C@H](O)[C@@H](C)[NH2+]C(C)C)c1 ZINC000001678262 169740035 /nfs/dbraw/zinc/74/00/35/169740035.db2.gz CMSDSKGZGXRVGT-QMTHXVAHSA-N 1 0 253.342 2.124 40 0 CEABRO C1CC[NH+]([C@@H]2CC[C@H]3CCC[C@@H]2C32OCCO2)C1 ZINC000005030041 170058395 /nfs/dbraw/zinc/05/83/95/170058395.db2.gz YGSCVMLJYLKIQS-HZSPNIEDSA-N 1 0 251.370 2.404 40 0 CEABRO O[C@@H](COc1ccccc1)C[N@@H+]1CCc2ccccc2C1 ZINC000006529952 170210893 /nfs/dbraw/zinc/21/08/93/170210893.db2.gz YXZACQIXSNSCCQ-QGZVFWFLSA-N 1 0 283.371 2.485 40 0 CEABRO Cc1cccc(NC(=O)NC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000009876662 170388229 /nfs/dbraw/zinc/38/82/29/170388229.db2.gz TYLVPGWQYQRUDW-ZDUSSCGKSA-N 1 0 261.369 2.458 40 0 CEABRO COc1cc(NC(=O)[C@H]2CCC[NH2+]2)ccc1-n1cccc1 ZINC000012118020 170469904 /nfs/dbraw/zinc/46/99/04/170469904.db2.gz LPLSVXFVGNDDKB-CYBMUJFWSA-N 1 0 285.347 2.176 40 0 CEABRO Cc1cccc(NC(=O)COc2ccc(C[NH3+])cc2)c1 ZINC000022211899 171374134 /nfs/dbraw/zinc/37/41/34/171374134.db2.gz XUXSVPQRHAIILG-UHFFFAOYSA-N 1 0 270.332 2.471 40 0 CEABRO C[C@@H]1CN([C@@H](C[NH3+])c2ccc(Cl)cc2)C[C@H](C)O1 ZINC000022212907 171374550 /nfs/dbraw/zinc/37/45/50/171374550.db2.gz AZNIWJXAYMFWFF-WDMOLILDSA-N 1 0 268.788 2.449 40 0 CEABRO [NH3+]CCCN1C(=O)S[C@H](Cc2ccc(Cl)cc2)C1=O ZINC000036636017 172643661 /nfs/dbraw/zinc/64/36/61/172643661.db2.gz BIXAQPPSEWFXAU-LLVKDONJSA-N 1 0 298.795 2.295 40 0 CEABRO [NH3+][C@@H]1CCCN(Cc2ccccc2Br)C1 ZINC000038539468 174145451 /nfs/dbraw/zinc/14/54/51/174145451.db2.gz YSEBLSWFGARBGE-LLVKDONJSA-N 1 0 269.186 2.372 40 0 CEABRO COc1ccc([C@H](C[NH3+])N2CCC(C)CC2)c(OC)c1 ZINC000038809023 174156713 /nfs/dbraw/zinc/15/67/13/174156713.db2.gz VKMISRRYXJLXNC-HNNXBMFYSA-N 1 0 278.396 2.436 40 0 CEABRO Brc1cccc(CN[C@H]2CCC[NH2+]C2)c1 ZINC000043327535 175009278 /nfs/dbraw/zinc/00/92/78/175009278.db2.gz WLMNLQFWBATCOW-LBPRGKRZSA-N 1 0 269.186 2.291 40 0 CEABRO Cc1nccn1CCNc1cccc([C@@H]2CCC[N@H+]2C)n1 ZINC000072365342 176380472 /nfs/dbraw/zinc/38/04/72/176380472.db2.gz RHZSXONPDUSARO-HNNXBMFYSA-N 1 0 285.395 2.465 40 0 CEABRO Cc1ccn(CCNc2cccc(C[C@@H]3CCC[NH2+]C3)n2)n1 ZINC000072365328 176380580 /nfs/dbraw/zinc/38/05/80/176380580.db2.gz UITBELZIUDYSFZ-HNNXBMFYSA-N 1 0 299.422 2.241 40 0 CEABRO COc1ccc([C@@H]2C[N@@H+](C(C)C)CCN2C(C)=O)cc1 ZINC000072366565 176381789 /nfs/dbraw/zinc/38/17/89/176381789.db2.gz ZMFLRCQXBJTEQX-INIZCTEOSA-N 1 0 276.380 2.309 40 0 CEABRO Cc1cccc(C[N@H+]2CCCN(c3cc(C)ncn3)CC2)n1 ZINC000072368988 176383560 /nfs/dbraw/zinc/38/35/60/176383560.db2.gz LYCRMJFFAALBIM-UHFFFAOYSA-N 1 0 297.406 2.201 40 0 CEABRO CNc1cncc([C@@H]2CCCN2c2cc[nH+]cc2)n1 ZINC000072380947 176386982 /nfs/dbraw/zinc/38/69/82/176386982.db2.gz PSRNLKRLDJTRGI-ZDUSSCGKSA-N 1 0 255.325 2.255 40 0 CEABRO CNc1ncccc1C[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000072386194 176391751 /nfs/dbraw/zinc/39/17/51/176391751.db2.gz YSNOQJADAJMTBT-GFCCVEGCSA-N 1 0 271.368 2.226 40 0 CEABRO C[N@@H+]1CCC[C@@H]1c1cccc(NCC2(C)COC2)n1 ZINC000072386982 176392514 /nfs/dbraw/zinc/39/25/14/176392514.db2.gz FCSPHGXXPUJFSD-CYBMUJFWSA-N 1 0 261.369 2.297 40 0 CEABRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1coc2ccccc2c1=O ZINC000072397547 176395018 /nfs/dbraw/zinc/39/50/18/176395018.db2.gz AUCJMMXJAUJMQV-HIFRSBDPSA-N 1 0 298.386 2.462 40 0 CEABRO CC(C)c1cc(C(=O)N(C)CC[NH+]2CCCCC2)n(C)n1 ZINC000072398012 176396228 /nfs/dbraw/zinc/39/62/28/176396228.db2.gz CLLPWELPAZPVPO-UHFFFAOYSA-N 1 0 292.427 2.101 40 0 CEABRO CCN(C(=O)OC(C)(C)C)[C@H]1CCCC[C@@H]1[NH2+]CCO ZINC000079408047 177481315 /nfs/dbraw/zinc/48/13/15/177481315.db2.gz ASXWETUXLKEGQI-STQMWFEESA-N 1 0 286.416 2.137 40 0 CEABRO C[NH2+]C[C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000079437128 177490467 /nfs/dbraw/zinc/49/04/67/177490467.db2.gz UCYOGGQZCVGDMS-CQSZACIVSA-N 1 0 262.353 2.255 40 0 CEABRO CCSc1ncc(C[NH2+]CCOc2ccccn2)cn1 ZINC000062717336 262299333 /nfs/dbraw/zinc/29/93/33/262299333.db2.gz GAMGTBRFCMHBHL-UHFFFAOYSA-N 1 0 290.392 2.152 40 0 CEABRO c1csc(C[NH2+]Cc2cnc(N3CCCC3)nc2)c1 ZINC000062717800 262303146 /nfs/dbraw/zinc/30/31/46/262303146.db2.gz USEJRYDHKBKSQK-UHFFFAOYSA-N 1 0 274.393 2.428 40 0 CEABRO C[C@@H]([NH2+][C@H](C)C(C)(C)c1ccccc1)c1nnnn1C ZINC000189842269 270265024 /nfs/dbraw/zinc/26/50/24/270265024.db2.gz VKWXDLPYGGFQTL-VXGBXAGGSA-N 1 0 273.384 2.227 40 0 CEABRO c1cc(C[N@@H+]2CCc3ncnc([C@@H]4CCOC4)c3CC2)co1 ZINC000096058631 275064349 /nfs/dbraw/zinc/06/43/49/275064349.db2.gz DHSHRMIYPQPIPT-CQSZACIVSA-N 1 0 299.374 2.174 40 0 CEABRO CCO[C@@H]1COC2(C1)CC[NH+](Cc1ccco1)CC2 ZINC000096106567 276339759 /nfs/dbraw/zinc/33/97/59/276339759.db2.gz ZIUBHNWKFMIABH-AWEZNQCLSA-N 1 0 265.353 2.440 40 0 CEABRO C[N@@H+]1CCC[C@@H]1c1ccnc(C(=O)Nc2ccon2)c1 ZINC000257309077 277066171 /nfs/dbraw/zinc/06/61/71/277066171.db2.gz TZLDJEFWPNPTJM-GFCCVEGCSA-N 1 0 272.308 2.089 40 0 CEABRO COCC[N@@H+]1CCc2ncnc(-c3ccsc3)c2CC1 ZINC000096084004 277227620 /nfs/dbraw/zinc/22/76/20/277227620.db2.gz LUDXOHQHWFUIRD-UHFFFAOYSA-N 1 0 289.404 2.252 40 0 CEABRO CC(C)(C)OC(=O)N(C1CC1)[C@@H]1CCCC[C@H]1[NH2+]CCO ZINC000079408259 278377330 /nfs/dbraw/zinc/37/73/30/278377330.db2.gz QPHIDKJEKGGRLO-ZIAGYGMSSA-N 1 0 298.427 2.279 40 0 CEABRO C[C@H]1C[NH2+]CCN1C(=O)c1ccc(Cl)cc1Cl ZINC000054369976 278452968 /nfs/dbraw/zinc/45/29/68/278452968.db2.gz AKJXQMCDSIZPHF-QMMMGPOBSA-N 1 0 273.163 2.427 40 0 CEABRO CC(C)N(Cc1nccc2ccccc21)C(=O)[C@H](C)[NH3+] ZINC000079422200 279464698 /nfs/dbraw/zinc/46/46/98/279464698.db2.gz YFWLBIXHFIYWQW-LBPRGKRZSA-N 1 0 271.364 2.319 40 0 CEABRO CCCCOCCC[NH2+]Cc1cnc(N2CCCC2)nc1 ZINC000062717820 333176088 /nfs/dbraw/zinc/17/60/88/333176088.db2.gz AUBWBXNCCWGOQG-UHFFFAOYSA-N 1 0 292.427 2.373 40 0 CEABRO c1coc(CN2CCC3(CC2)COCC[N@H+]3CC2CC2)c1 ZINC000096048911 185073105 /nfs/dbraw/zinc/07/31/05/185073105.db2.gz PJNKAWZNVKHRRH-UHFFFAOYSA-N 1 0 290.407 2.356 40 0 CEABRO c1cc(CN2CC[N@@H+]3C[C@H](OCC4CC4)C[C@@H]3C2)cs1 ZINC000096054993 185076123 /nfs/dbraw/zinc/07/61/23/185076123.db2.gz YPRUUDNUVOBELJ-HZPDHXFCSA-N 1 0 292.448 2.433 40 0 CEABRO COC[C@@]12CCCO[C@H]1CC[N@H+](Cc1ccncc1)C2 ZINC000096056729 185077196 /nfs/dbraw/zinc/07/71/96/185077196.db2.gz HVXOOPYFHMJWMJ-HOTGVXAUSA-N 1 0 276.380 2.099 40 0 CEABRO Cc1cccc(C[N@@H+]2CC[C@@H]3[C@@H]2CCN3c2ncccn2)n1 ZINC000096064032 185083792 /nfs/dbraw/zinc/08/37/92/185083792.db2.gz JURDHVGAHBNIKR-JKSUJKDBSA-N 1 0 295.390 2.033 40 0 CEABRO CC[N@@H+]1CCOCC12CCN(C(=O)CC1CCCC1)CC2 ZINC000096074602 185088550 /nfs/dbraw/zinc/08/85/50/185088550.db2.gz JZSFCDIIKWAETM-UHFFFAOYSA-N 1 0 294.439 2.280 40 0 CEABRO c1ccc(O[C@H]2COC3(C2)CC[NH+](CC2CC2)CC3)nc1 ZINC000096106998 185099370 /nfs/dbraw/zinc/09/93/70/185099370.db2.gz TZHYCGNVOQOIRI-OAHLLOKOSA-N 1 0 288.391 2.494 40 0 CEABRO O[C@@H]1CC2(CC[NH2+]CC2)Oc2ccc(Cl)cc21 ZINC000036141238 361831622 /nfs/dbraw/zinc/83/16/22/361831622.db2.gz BPXOPPNLEBNPKB-LLVKDONJSA-N 1 0 253.729 2.278 40 0 CEABRO C[C@H](CCN1C[C@H]2C[C@@H](O)C[N@@H+]2C[C@H]1C)c1ccccc1 ZINC000036718966 361852180 /nfs/dbraw/zinc/85/21/80/361852180.db2.gz OQWLLWPCXDAZNO-JOCBIADPSA-N 1 0 288.435 2.320 40 0 CEABRO C[C@H]([NH3+])C(=O)N(Cc1c(F)cccc1Cl)C1CC1 ZINC000037801851 361944269 /nfs/dbraw/zinc/94/42/69/361944269.db2.gz OBYALXWWXALYKO-QMMMGPOBSA-N 1 0 270.735 2.317 40 0 CEABRO CC(C)(C)OC(=O)[C@H](N)CCCCCCCC[NH3+] ZINC000090609428 344141104 /nfs/dbraw/zinc/14/11/04/344141104.db2.gz GTJINEZMHRTYOB-GFCCVEGCSA-N 1 0 258.406 2.345 40 0 CEABRO CCN(Cc1ccccc1)[C@@H]1CCCC[C@H]1[NH2+]CCO ZINC000101674284 344248885 /nfs/dbraw/zinc/24/88/85/344248885.db2.gz GAMVUPFKLNSLOS-IAGOWNOFSA-N 1 0 276.424 2.402 40 0 CEABRO COc1cc(OC)c([C@@H]2C[C@@H]2[C@H](C)[NH3+])c(OC)c1 ZINC000108350507 344265315 /nfs/dbraw/zinc/26/53/15/344265315.db2.gz DWPAOPGTQTXRQL-JMJZKYOTSA-N 1 0 251.326 2.163 40 0 CEABRO Cc1ccc([C@@H]2C[NH2+]C[C@@H]2NC(=O)OC(C)(C)C)o1 ZINC000409422472 344887707 /nfs/dbraw/zinc/88/77/07/344887707.db2.gz GIKDBHULHZGVOK-MNOVXSKESA-N 1 0 266.341 2.168 40 0 CEABRO Cc1ccc([C@H]2C[NH2+]C[C@@H]2NC(=O)OC(C)(C)C)o1 ZINC000409422473 344888222 /nfs/dbraw/zinc/88/82/22/344888222.db2.gz GIKDBHULHZGVOK-QWRGUYRKSA-N 1 0 266.341 2.168 40 0 CEABRO CC(C)(C)OC(=O)N([C@H](C(=[NH2+])NO)C1CC1)C1CC1 ZINC000409442010 344889417 /nfs/dbraw/zinc/88/94/17/344889417.db2.gz SGYSTMVSYDDAJN-JTQLQIEISA-N 1 0 269.345 2.121 40 0 CEABRO [NH3+]CCc1nc([C@@H](c2cccs2)n2cccc2)no1 ZINC000409437987 344889629 /nfs/dbraw/zinc/88/96/29/344889629.db2.gz BMVJDWSJTXMRNR-GFCCVEGCSA-N 1 0 274.349 2.072 40 0 CEABRO CC[NH+](CC)C[C@@H]1CN(C(=O)CC(C)C)Cc2ccnn21 ZINC000575402826 344950198 /nfs/dbraw/zinc/95/01/98/344950198.db2.gz CVRWKAWBRKCCTO-OAHLLOKOSA-N 1 0 292.427 2.154 40 0 CEABRO c1cc(COCC[C@@H]2CCOC23CC[NH2+]CC3)ccn1 ZINC000585104296 345005779 /nfs/dbraw/zinc/00/57/79/345005779.db2.gz GUSJMGXDOWIOJM-OAHLLOKOSA-N 1 0 276.380 2.147 40 0 CEABRO Cc1cccc(OC[C@@]2(O)CC[N@H+](Cc3ccncc3)C2)c1 ZINC000585269203 345009009 /nfs/dbraw/zinc/00/90/09/345009009.db2.gz LLIWZMNIMWNRSH-GOSISDBHSA-N 1 0 298.386 2.406 40 0 CEABRO COC(=O)[C@@H]1C[NH2+]C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000056958607 362566754 /nfs/dbraw/zinc/56/67/54/362566754.db2.gz HXQXFJKEWKTQMV-WDEREUQCSA-N 1 0 273.254 2.181 40 0 CEABRO Fc1ccc(-c2cnc3n2C[C@@]2(CC[NH2+]C2)C3)cc1 ZINC000306141822 282969739 /nfs/dbraw/zinc/96/97/39/282969739.db2.gz WHJCOKMKIHABPM-HNNXBMFYSA-N 1 0 257.312 2.225 40 0 CEABRO CC(C)NC(=O)C[C@H]1[C@H]2C[N@@H+](Cc3ccsc3)C[C@@H]12 ZINC000107745849 186188919 /nfs/dbraw/zinc/18/89/19/186188919.db2.gz ZZQJNSGUJRCUSH-BTTYYORXSA-N 1 0 278.421 2.341 40 0 CEABRO CNC(=O)[C@H]1CCC[C@]12CC[N@H+](Cc1ccc(C)o1)C2 ZINC000108524165 186220356 /nfs/dbraw/zinc/22/03/56/186220356.db2.gz AADFEFUVLPSMDS-GDBMZVCRSA-N 1 0 276.380 2.326 40 0 CEABRO O=C1CCC2(CC[NH+](Cc3ccc(F)c(F)c3)CC2)CN1 ZINC000108525331 186220800 /nfs/dbraw/zinc/22/08/00/186220800.db2.gz ZKIDQJUFTWZOAH-UHFFFAOYSA-N 1 0 294.345 2.457 40 0 CEABRO Cc1nc(-c2ccc(F)cc2)cc(N2CC[C@@H]([NH3+])C2)n1 ZINC000070458549 363085881 /nfs/dbraw/zinc/08/58/81/363085881.db2.gz ZUCXWFYRPIBZKG-CYBMUJFWSA-N 1 0 272.327 2.129 40 0 CEABRO Cn1nccc1-c1ncccc1C[C@@H]1CCC[NH2+]C1 ZINC000257332183 282854462 /nfs/dbraw/zinc/85/44/62/282854462.db2.gz XWCULOUYMMSSFL-LBPRGKRZSA-N 1 0 256.353 2.024 40 0 CEABRO CC(C)(C)OC(=O)N1CC[C@](C[NH3+])(C(F)(F)F)C1 ZINC000199768748 540024941 /nfs/dbraw/zinc/02/49/41/540024941.db2.gz AHOVYALWYSSMRR-SNVBAGLBSA-N 1 0 268.279 2.135 40 0 CEABRO CCOC(=O)C1=C(C)NC(SC)=N[C@H]1c1ccco1 ZINC000408731219 538779520 /nfs/dbraw/zinc/77/95/20/538779520.db2.gz LHFLZSDJZUABHC-NSHDSACASA-N 1 0 280.349 2.480 40 0 CEABRO CC(C)N(C[C@@H]1CCCN1CC[NH3+])C(=O)OC(C)(C)C ZINC000079408503 363595226 /nfs/dbraw/zinc/59/52/26/363595226.db2.gz LCCCWMNESKHNAZ-ZDUSSCGKSA-N 1 0 285.432 2.055 40 0 CEABRO C[C@H]([NH2+]CCc1ccc(O)cc1)[C@@H](O)c1ccc(O)cc1 ZINC000000057482 361122579 /nfs/dbraw/zinc/12/25/79/361122579.db2.gz IOVGROKTTNBUGK-YVEFUNNKSA-N 1 0 287.359 2.352 40 0 in-man CEABRO Cc1nc(NC(=[NH2+])N(C)C)nc2ccc(Cl)cc12 ZINC000001591793 361209842 /nfs/dbraw/zinc/20/98/42/361209842.db2.gz IGDUKVRLSVTAMV-UHFFFAOYSA-N 1 0 263.732 2.500 40 0 CEABRO Cc1ccc(Br)c2c(C[C@@H]([NH3+])CO)c[nH]c21 ZINC000002529145 361237944 /nfs/dbraw/zinc/23/79/44/361237944.db2.gz CNEAVKQKUTVXTH-SECBINFHSA-N 1 0 283.169 2.101 40 0 CEABRO O[C@H](COc1ccc2c(c1)OCO2)C[NH+]1CCCCCC1 ZINC000002686881 361245336 /nfs/dbraw/zinc/24/53/36/361245336.db2.gz YTDOLISAWCBDMP-ZDUSSCGKSA-N 1 0 293.363 2.031 40 0 CEABRO CCOc1cncc(N2CC[C@@]3(C[C@H]4CC[N@@H+]3C4)C2)c1 ZINC000003937370 361294858 /nfs/dbraw/zinc/29/48/58/361294858.db2.gz LJMVVAMADGFENL-CZUORRHYSA-N 1 0 273.380 2.155 40 0 CEABRO C[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(F)c(F)c2)C1 ZINC000082339218 363767898 /nfs/dbraw/zinc/76/78/98/363767898.db2.gz NFXDAXSOEKSJRV-SECBINFHSA-N 1 0 254.280 2.245 40 0 CEABRO [NH3+]C[C@H]1CN(Cc2ccc(Cl)c(Cl)c2)CCO1 ZINC000016083135 361483485 /nfs/dbraw/zinc/48/34/85/361483485.db2.gz UANWWXRZQGYWSR-JTQLQIEISA-N 1 0 275.179 2.153 40 0 CEABRO O[C@@]12c3ccccc3[C@H]1CCCC[C@H]2[NH+]1CCOCC1 ZINC000017220237 361506983 /nfs/dbraw/zinc/50/69/83/361506983.db2.gz XNHVAOFTRMYYNB-ZACQAIPSSA-N 1 0 273.376 2.246 40 0 CEABRO C[N@@H+]1CCC[C@@H](NC(=O)CCCOc2ccccc2F)C1 ZINC000019588506 361545473 /nfs/dbraw/zinc/54/54/73/361545473.db2.gz HJRIFPPCIXSQMB-CYBMUJFWSA-N 1 0 294.370 2.195 40 0 CEABRO O[C@@H](C[NH2+]Cc1ccccc1)COC(F)(F)C(F)F ZINC000026897834 361647340 /nfs/dbraw/zinc/64/73/40/361647340.db2.gz HMVNYQOEKFJZQS-JTQLQIEISA-N 1 0 281.249 2.012 40 0 CEABRO COCCNC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000030752127 361702877 /nfs/dbraw/zinc/70/28/77/361702877.db2.gz IPGVFHXILRSASR-CQSZACIVSA-N 1 0 290.407 2.295 40 0 CEABRO CCCC[NH2+]Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000089261562 363952108 /nfs/dbraw/zinc/95/21/08/363952108.db2.gz UNZSGSGVEXKYIF-UHFFFAOYSA-N 1 0 260.337 2.426 40 0 CEABRO FC(F)(F)c1ccnc(OC[C@H]2CCC[NH2+]C2)c1 ZINC000090397348 364056010 /nfs/dbraw/zinc/05/60/10/364056010.db2.gz ZIGVLVASXOYEMX-VIFPVBQESA-N 1 0 260.259 2.479 40 0 CEABRO Cc1ccc(CN2CC[C@@H]3[C@@H]2CC[N@@H+]3C2CCOCC2)o1 ZINC000096184703 364407245 /nfs/dbraw/zinc/40/72/45/364407245.db2.gz RELXPYDLXMMGIA-DLBZAZTESA-N 1 0 290.407 2.416 40 0 CEABRO Cc1cc(C)cc(C[N@@H+]2CC[C@@H]3NC(=O)CC[C@@H]32)c1 ZINC000096186179 364407589 /nfs/dbraw/zinc/40/75/89/364407589.db2.gz INRYSUCHTNIHAW-GJZGRUSLSA-N 1 0 258.365 2.156 40 0 CEABRO CC(C)C[N@@H+]1CCC[C@@]12CCN(c1nncs1)C2 ZINC000096203046 364411195 /nfs/dbraw/zinc/41/11/95/364411195.db2.gz JWWVPWMKUQSJGT-ZDUSSCGKSA-N 1 0 266.414 2.239 40 0 CEABRO COc1ccc(C[N@@H+]2CC[C@H](O)[C@@H]2Cc2cccnc2)cc1 ZINC000096200435 364411259 /nfs/dbraw/zinc/41/12/59/364411259.db2.gz ZWQJRIHGQLHUGM-ROUUACIJSA-N 1 0 298.386 2.268 40 0 CEABRO Cc1ccc(N2CCC[C@]3(CC[N@H+](CC4CC4)C3)C2)nn1 ZINC000096217102 364412178 /nfs/dbraw/zinc/41/21/78/364412178.db2.gz GKZDYSAZOBGJMR-QGZVFWFLSA-N 1 0 286.423 2.487 40 0 CEABRO C[NH+](C)[C@H]1CCC2(CCN(C(N)=O)CC2)c2ccccc21 ZINC000096242660 364416172 /nfs/dbraw/zinc/41/61/72/364416172.db2.gz AJRSTBXBKFOZRS-HNNXBMFYSA-N 1 0 287.407 2.495 40 0 CEABRO C[N@@H+]1CC[C@@]2(c3ccccc3)CCN(C(=O)C3CC3)C[C@H]12 ZINC000096251819 364416408 /nfs/dbraw/zinc/41/64/08/364416408.db2.gz KHUQSPQHMNEIHO-WMZOPIPTSA-N 1 0 284.403 2.271 40 0 CEABRO Cn1cc(CN2CC[C@@H]([NH+](C)C)[C@@H]2Cc2ccccc2)cn1 ZINC000096261351 364418672 /nfs/dbraw/zinc/41/86/72/364418672.db2.gz FPEZNCYDPMFABX-MSOLQXFVSA-N 1 0 298.434 2.167 40 0 CEABRO CC1=N[C@@]2(CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C(=O)N1C ZINC000096261396 364418739 /nfs/dbraw/zinc/41/87/39/364418739.db2.gz JGTWHFYCDHSRFX-SOLBZPMBSA-N 1 0 297.402 2.158 40 0 CEABRO O=C(C[NH+]1CCC(c2ccncc2)CC1)N1CCCCC1 ZINC000012117344 283811524 /nfs/dbraw/zinc/81/15/24/283811524.db2.gz CDNROFQZQQHOOT-UHFFFAOYSA-N 1 0 287.407 2.274 40 0 CEABRO CC[C@@H](Oc1ccc(F)cc1)C(=O)NCCC[NH+](C)C ZINC000216331553 189702888 /nfs/dbraw/zinc/70/28/88/189702888.db2.gz QVSSKMKNSYPTBA-CQSZACIVSA-N 1 0 282.359 2.051 40 0 CEABRO CCC[C@H](C)[N@@H+]1CCC[C@]2(CN(c3ncccn3)C2=O)C1 ZINC000585099698 367178202 /nfs/dbraw/zinc/17/82/02/367178202.db2.gz YMCUZPKWOHVKKM-XJKSGUPXSA-N 1 0 288.395 2.094 40 0 CEABRO [NH3+]CCSc1n[nH]c(-c2cccc(Cl)c2)n1 ZINC000224978663 370284534 /nfs/dbraw/zinc/28/45/34/370284534.db2.gz DGZZNKHXIYPCIO-UHFFFAOYSA-N 1 0 254.746 2.176 40 0 CEABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cccnc1 ZINC000225430512 370294097 /nfs/dbraw/zinc/29/40/97/370294097.db2.gz SPNRBSZGQJPSNA-OAHLLOKOSA-N 1 0 275.396 2.466 40 0 CEABRO CC(C)[NH+]1CC2(C1)C[C@H](Oc1cccnc1)CS2 ZINC000248179873 371167826 /nfs/dbraw/zinc/16/78/26/371167826.db2.gz XXWFKWBTPMUWEU-ZDUSSCGKSA-N 1 0 264.394 2.429 40 0 CEABRO Cc1nc(-c2ncc[nH]2)cc([C@@H]2CCCC[N@H+]2C)n1 ZINC000257213422 371609845 /nfs/dbraw/zinc/60/98/45/371609845.db2.gz CHMWSGBRIUHTJU-ZDUSSCGKSA-N 1 0 257.341 2.332 40 0 CEABRO COCCN1C(=O)CCC[C@H]2C[N@H+](C3CCCC3)CC[C@H]21 ZINC000257319084 371613803 /nfs/dbraw/zinc/61/38/03/371613803.db2.gz VQQLCCUTHILGBJ-GOEBONIOSA-N 1 0 294.439 2.278 40 0 CEABRO CC(C)OCCC[NH2+]Cc1cn(C)nc1C(F)(F)F ZINC000256050970 190003451 /nfs/dbraw/zinc/00/34/51/190003451.db2.gz HFMXLZCDNJZIML-UHFFFAOYSA-N 1 0 279.306 2.344 40 0 CEABRO COc1cccc(CC[NH2+]Cc2cnn(CC(F)F)c2)c1 ZINC000256051892 190003955 /nfs/dbraw/zinc/00/39/55/190003955.db2.gz KYJPAYIWSPNOHE-UHFFFAOYSA-N 1 0 295.333 2.489 40 0 CEABRO O=C(Nc1nccs1)c1cccc([C@H]2CCC[NH2+]2)n1 ZINC000257197462 190010306 /nfs/dbraw/zinc/01/03/06/190010306.db2.gz ACFJCJZVFQFRKE-SECBINFHSA-N 1 0 274.349 2.215 40 0 CEABRO CN(C)C(=O)c1sc2nc([C@H]3CCC[NH2+]3)ccc2c1N ZINC000257206272 190011184 /nfs/dbraw/zinc/01/11/84/190011184.db2.gz BCRATOZAKBUZCZ-SECBINFHSA-N 1 0 290.392 2.005 40 0 CEABRO C[C@@]12C[C@H]3C[NH2+][C@@H]1CCCC[C@@H]2N3C(=O)c1cncs1 ZINC000257207199 190011275 /nfs/dbraw/zinc/01/12/75/190011275.db2.gz BGTOQQKMGBINHN-QMPIGLIWSA-N 1 0 291.420 2.278 40 0 CEABRO CCCn1cc(C[N@@H+]2CCC[C@H](Cc3cc[nH]n3)C2)cn1 ZINC000257208582 190012620 /nfs/dbraw/zinc/01/26/20/190012620.db2.gz BMTJMYIZPJRJCU-CQSZACIVSA-N 1 0 287.411 2.471 40 0 CEABRO C[N@@H+]1CC[C@@H](Cc2cccc(Br)n2)C1 ZINC000257197572 190010156 /nfs/dbraw/zinc/01/01/56/190010156.db2.gz CYMYINAIDURXHI-VIFPVBQESA-N 1 0 255.159 2.338 40 0 CEABRO C[N@@H+]1CC[C@@]2(C)[C@@H]1CCC(=O)N2Cc1ccccc1F ZINC000257225431 190015399 /nfs/dbraw/zinc/01/53/99/190015399.db2.gz FGEICAVWEPQOPI-HOCLYGCPSA-N 1 0 276.355 2.411 40 0 CEABRO C[C@@H]1COC(=O)N1c1cccc(C2CC[NH+](C)CC2)n1 ZINC000257216022 190014174 /nfs/dbraw/zinc/01/41/74/190014174.db2.gz CSSUHZCLZUYVAD-LLVKDONJSA-N 1 0 275.352 2.236 40 0 CEABRO Cc1c[nH]nc1[C@H]1CC[N@H+](CC2(O)CCCCC2)C1 ZINC000257224327 190015108 /nfs/dbraw/zinc/01/51/08/190015108.db2.gz FBIHYVSXXWNNTC-ZDUSSCGKSA-N 1 0 263.385 2.203 40 0 CEABRO Cn1ccc2ccnc(CC3C[NH+](C4CCOCC4)C3)c21 ZINC000257241011 190018690 /nfs/dbraw/zinc/01/86/90/190018690.db2.gz HWGYOIQHKIVGGX-UHFFFAOYSA-N 1 0 285.391 2.227 40 0 CEABRO Cc1csc(Nc2cc(C)nc([C@H]3CC[NH2+]C3)n2)n1 ZINC000257257117 190021655 /nfs/dbraw/zinc/02/16/55/190021655.db2.gz KODJQTOPONZQNB-JTQLQIEISA-N 1 0 275.381 2.370 40 0 CEABRO Cc1cc(-c2cncc(C[C@H]3CCC[N@@H+](C)C3)n2)n[nH]1 ZINC000257266957 190022794 /nfs/dbraw/zinc/02/27/94/190022794.db2.gz MFIKSQKIAQBZGH-GFCCVEGCSA-N 1 0 271.368 2.059 40 0 CEABRO COc1cccc(OC)c1C[N@@H+]1CC[C@@H](c2cc[nH]n2)C1 ZINC000257283652 190026492 /nfs/dbraw/zinc/02/64/92/190026492.db2.gz OZFPERYVYYLLSH-GFCCVEGCSA-N 1 0 287.363 2.416 40 0 CEABRO c1ccc(C[N@H+]2CCOC[C@@H](Cc3cnccn3)C2)cc1 ZINC000257272577 190024382 /nfs/dbraw/zinc/02/43/82/190024382.db2.gz NCXYPTXISOBWIT-INIZCTEOSA-N 1 0 283.375 2.168 40 0 CEABRO Cc1cc(C)nc(Nc2cc(C)nc([C@H]3CCC[NH2+]3)n2)n1 ZINC000257310944 190031586 /nfs/dbraw/zinc/03/15/86/190031586.db2.gz UHHKFBAKXNYJMS-GFCCVEGCSA-N 1 0 284.367 2.360 40 0 CEABRO c1nc2ncccn2c1-c1cccc([C@H]2CCC[NH2+]C2)n1 ZINC000257290966 190028040 /nfs/dbraw/zinc/02/80/40/190028040.db2.gz QFAWXRKKTMAFHG-LBPRGKRZSA-N 1 0 279.347 2.258 40 0 CEABRO C[NH+](C)Cc1ccnc([C@H]2CCCN2Cc2ccccn2)n1 ZINC000257293816 190028455 /nfs/dbraw/zinc/02/84/55/190028455.db2.gz QRHGSEIQEOIAEH-MRXNPFEDSA-N 1 0 297.406 2.270 40 0 CEABRO Cc1cnc([C@H]2CCCN(C(=O)C3([NH3+])CCCC3)C2)s1 ZINC000257328590 190035080 /nfs/dbraw/zinc/03/50/80/190035080.db2.gz XGIGHSKPVZGFOZ-LBPRGKRZSA-N 1 0 293.436 2.429 40 0 CEABRO C[C@]1(O)C[N@H+](CC2CC2)CC[C@@H]1Oc1ccccc1 ZINC000257343991 190037615 /nfs/dbraw/zinc/03/76/15/190037615.db2.gz ZVHFRWIHKUNPPE-HOTGVXAUSA-N 1 0 261.365 2.301 40 0 CEABRO CN1C(=O)c2ccccc2O[C@H]2C[N@H+](C3CCCC3)C[C@H]21 ZINC000514289369 379129669 /nfs/dbraw/zinc/12/96/69/379129669.db2.gz JDGWZIJBZRGXRK-ZBFHGGJFSA-N 1 0 286.375 2.146 40 0 biogenic,in-vitro CEABRO O=C1CC2(CC[NH2+]CC2)c2ccccc2N1CC1CC1 ZINC000096243953 284782395 /nfs/dbraw/zinc/78/23/95/284782395.db2.gz RAOGIWGAUGSRIL-UHFFFAOYSA-N 1 0 270.376 2.455 40 0 CEABRO O=C1c2cc(Br)ccc2CN1C1CC[NH2+]CC1 ZINC000095097795 285014084 /nfs/dbraw/zinc/01/40/84/285014084.db2.gz CLUTZBRPUWFECE-UHFFFAOYSA-N 1 0 295.180 2.157 40 0 CEABRO C[C@H]1CCc2c(sc3ncnc(N4CC[NH2+]CC4)c23)C1 ZINC000013998635 394464621 /nfs/dbraw/zinc/46/46/21/394464621.db2.gz MSQUXTRYROOXEG-JTQLQIEISA-N 1 0 288.420 2.226 40 0 CEABRO C[C@H](O)C[NH2+]CCNCc1cccc(Cl)c1Cl ZINC000022074871 394473859 /nfs/dbraw/zinc/47/38/59/394473859.db2.gz PIISCOPCVPRSSA-VIFPVBQESA-N 1 0 277.195 2.053 40 0 CEABRO CCSc1ncc(C[NH2+]C[C@H](O)c2ccccc2)cn1 ZINC000062717308 394570811 /nfs/dbraw/zinc/57/08/11/394570811.db2.gz YZNJJJVIHPJPSO-AWEZNQCLSA-N 1 0 289.404 2.412 40 0 CEABRO Cc1cc([C@@H]([NH3+])c2ccccc2)cnc1N1CCOCC1 ZINC000072222518 394594452 /nfs/dbraw/zinc/59/44/52/394594452.db2.gz BVGRPPKHIIFBTD-INIZCTEOSA-N 1 0 283.375 2.275 40 0 CEABRO Cc1nc(N2CCOCC2)ccc1[C@@H]([NH3+])c1ccccc1 ZINC000072224606 394594545 /nfs/dbraw/zinc/59/45/45/394594545.db2.gz HMMUBKHVCOWOSI-KRWDZBQOSA-N 1 0 283.375 2.275 40 0 CEABRO Cc1cc(C(=O)c2ccccc2)cnc1N1CC[NH2+]CC1 ZINC000072222532 394594589 /nfs/dbraw/zinc/59/45/89/394594589.db2.gz YTBGFJBKVYBEJI-UHFFFAOYSA-N 1 0 281.359 2.031 40 0 CEABRO [NH3+]C[C@H](c1cncc(Br)c1)N1CCCCC1 ZINC000096511148 394694257 /nfs/dbraw/zinc/69/42/57/394694257.db2.gz BHZIBFYFRQTFDJ-GFCCVEGCSA-N 1 0 284.201 2.330 40 0 CEABRO CC[C@@H]([C@@H]([NH3+])c1cccc(C)c1)S(=O)(=O)CC ZINC000096524979 394697094 /nfs/dbraw/zinc/69/70/94/394697094.db2.gz HSJZMKMGKGROBG-STQMWFEESA-N 1 0 255.383 2.208 40 0 CEABRO CC(C)(C)OC(=O)N1C[C@H]([NH3+])[C@@](C)(C(F)(F)F)C1 ZINC000199784052 400297450 /nfs/dbraw/zinc/29/74/50/400297450.db2.gz PMJPHYRIBXKIDH-XVKPBYJWSA-N 1 0 268.279 2.133 40 0 CEABRO COc1cc2cccc3c2c(c1)C(=O)N(CC[NH+](C)C)C3=O ZINC000005640617 170123088 /nfs/dbraw/zinc/12/30/88/170123088.db2.gz GWVMKPSKTUDDQZ-UHFFFAOYSA-N 1 0 298.342 2.006 40 0 CEABRO CC[C@@H](C)c1ccccc1OC[C@@H](O)C[NH2+][C@@H](CC)CO ZINC000006440509 170201477 /nfs/dbraw/zinc/20/14/77/170201477.db2.gz LSOWXZOSDLPNHO-ILXRZTDVSA-N 1 0 295.423 2.300 40 0 CEABRO COc1ccc(S[C@H](C)C(=O)NCCC[NH+](C)C)cc1 ZINC000020459876 171208751 /nfs/dbraw/zinc/20/87/51/171208751.db2.gz KHPFXHLSBUTXTE-GFCCVEGCSA-N 1 0 296.436 2.244 40 0 CEABRO [NH3+]Cc1ccc(OCC(=O)Nc2ccccc2)cc1 ZINC000021962181 171342558 /nfs/dbraw/zinc/34/25/58/171342558.db2.gz WHORJSMHGZNBIR-UHFFFAOYSA-N 1 0 256.305 2.163 40 0 CEABRO FC(F)(F)Oc1ccc(-c2noc(C3C[NH2+]C3)n2)cc1 ZINC000048981117 175457170 /nfs/dbraw/zinc/45/71/70/175457170.db2.gz AFAFYYLMSPPUDF-UHFFFAOYSA-N 1 0 285.225 2.322 40 0 CEABRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1ccccc1)C2 ZINC000063527686 175687321 /nfs/dbraw/zinc/68/73/21/175687321.db2.gz LGTKLYXZCDAJEQ-QGZVFWFLSA-N 1 0 272.392 2.173 40 0 CEABRO O=C(Cc1cccc(Cl)c1)NCCC[NH+]1CCCC1 ZINC000069543665 175838726 /nfs/dbraw/zinc/83/87/26/175838726.db2.gz WVQVNOGCYPSUQD-UHFFFAOYSA-N 1 0 280.799 2.485 40 0 CEABRO Brc1cccc2c1N[C@H]1CC[NH2+]C[C@H]21 ZINC000071484631 176189220 /nfs/dbraw/zinc/18/92/20/176189220.db2.gz LPBJHSPFSUDRSY-SCZZXKLOSA-N 1 0 253.143 2.320 40 0 CEABRO Cc1cc(CNc2cc(CC[C@@H]3CCC[NH2+]3)ncn2)on1 ZINC000072365417 176380429 /nfs/dbraw/zinc/38/04/29/176380429.db2.gz BQAQNTGEGKJCSU-LBPRGKRZSA-N 1 0 287.367 2.070 40 0 CEABRO Cc1cccc(Nc2cncc([C@@H]3CCC[NH2+]3)n2)n1 ZINC000072376516 176384962 /nfs/dbraw/zinc/38/49/62/176384962.db2.gz MKDNKQCOWLSODP-NSHDSACASA-N 1 0 255.325 2.348 40 0 CEABRO COCCNc1cccc(C[C@@H]2CCC[N@H+](C)CC2)n1 ZINC000072386649 176392083 /nfs/dbraw/zinc/39/20/83/176392083.db2.gz ADLQUAMUAZTTRI-CQSZACIVSA-N 1 0 277.412 2.414 40 0 CEABRO C[NH+]1CCC(c2cccc(N[C@@H]3CCCOC3)n2)CC1 ZINC000072386908 176392119 /nfs/dbraw/zinc/39/21/19/176392119.db2.gz FQYOPVSSXCUVAK-CQSZACIVSA-N 1 0 275.396 2.482 40 0 CEABRO Cc1nc2c(c(=O)[nH]1)C[N@H+](Cc1c[nH]c3ccccc13)CC2 ZINC000072389560 176393870 /nfs/dbraw/zinc/39/38/70/176393870.db2.gz KBXIYVGKTBFGNP-UHFFFAOYSA-N 1 0 294.358 2.118 40 0 CEABRO O=C(OCc1ccccc1)N(C[C@@H]1CC[NH2+]C1)C1CC1 ZINC000079437884 177490926 /nfs/dbraw/zinc/49/09/26/177490926.db2.gz QQUBUVDSBTVPFP-CQSZACIVSA-N 1 0 274.364 2.397 40 0 CEABRO C[C@@H]([NH2+][C@@H](C)C(C)(C)c1ccccc1)c1nnnn1C ZINC000189842227 270265019 /nfs/dbraw/zinc/26/50/19/270265019.db2.gz VKWXDLPYGGFQTL-NEPJUHHUSA-N 1 0 273.384 2.227 40 0 CEABRO Brc1ccc2c(c1)[C@]1(CC[NH2+]1)CCO2 ZINC000306146017 275372553 /nfs/dbraw/zinc/37/25/53/275372553.db2.gz ZJHASWCQEMVRHT-NSHDSACASA-N 1 0 254.127 2.420 40 0 CEABRO CNc1cc([C@H]2CCC[N@@H+]2C2CCOCC2)nc(C)n1 ZINC000257205046 277043424 /nfs/dbraw/zinc/04/34/24/277043424.db2.gz AXKFUOFCOBHMBN-CQSZACIVSA-N 1 0 276.384 2.143 40 0 CEABRO CC(C)(C)OC(=O)N1CCc2cc(C[NH3+])ccc2C1 ZINC000066331906 277194580 /nfs/dbraw/zinc/19/45/80/277194580.db2.gz GJXOYJWWLHSIRB-UHFFFAOYSA-N 1 0 262.353 2.439 40 0 CEABRO CC(C)(C)OC(=O)NCC1(C(F)(F)F)CC[NH2+]CC1 ZINC000095917970 278427180 /nfs/dbraw/zinc/42/71/80/278427180.db2.gz JAHNFKIKVNKZDJ-UHFFFAOYSA-N 1 0 282.306 2.443 40 0 CEABRO C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CCC[N@H+](C)C1 ZINC000082337167 279019207 /nfs/dbraw/zinc/01/92/07/279019207.db2.gz KQPIBFWLXXQLNF-TZMCWYRMSA-N 1 0 258.365 2.306 40 0 CEABRO Cc1nc([C@H]2CC[NH2+]C2)cc(N2CCCC(C)(C)C2)n1 ZINC000072386902 279109018 /nfs/dbraw/zinc/10/90/18/279109018.db2.gz TVMXNBNTELVIKZ-ZDUSSCGKSA-N 1 0 274.412 2.488 40 0 CEABRO C[C@]12CC[N@H+](CCc3ccc(F)cc3)[C@H]1CCC(=O)N2 ZINC000257336387 280177093 /nfs/dbraw/zinc/17/70/93/280177093.db2.gz YOESPSKMHRZGMJ-HOCLYGCPSA-N 1 0 276.355 2.111 40 0 CEABRO Cc1ccc([C@H]2C[C@@H](O)[C@@H](O)[C@@H]2[NH2+]Cc2ccccc2)cc1 ZINC000072321687 281004865 /nfs/dbraw/zinc/00/48/65/281004865.db2.gz GSIIJLXFIZJLKM-NCXUSEDFSA-N 1 0 297.398 2.363 40 0 biogenic,in-vitro CEABRO CN1c2ccccc2O[C@H]2C[C@@H](C1=O)[N@@H+](C1CCCC1)C2 ZINC000096111904 290320587 /nfs/dbraw/zinc/32/05/87/290320587.db2.gz ZUDBOSPJAHJYKR-ZFWWWQNUSA-N 1 0 286.375 2.427 40 0 biogenic,in-vitro CEABRO c1cc(CN2CC[NH2+][C@H]3CCCC[C@@H]32)cc2c1OCO2 ZINC000225712135 333182203 /nfs/dbraw/zinc/18/22/03/333182203.db2.gz VRRUTLRSIXCUCJ-KBPBESRZSA-N 1 0 274.364 2.132 40 0 CEABRO COCCC[NH2+]Cc1cc(C)n(CCCOC)c1C ZINC000223661218 652619592 /nfs/dbraw/zinc/61/95/92/652619592.db2.gz LPSCMBRBAKLCBN-UHFFFAOYSA-N 1 0 268.401 2.268 40 0 CEABRO CC(C)[C@@H]([NH3+])c1nc(COc2ccc(F)cc2)n[nH]1 ZINC000095534741 185006609 /nfs/dbraw/zinc/00/66/09/185006609.db2.gz PFJDIKBMKJQSCO-GFCCVEGCSA-N 1 0 264.304 2.179 40 0 CEABRO c1cncc(O[C@@H]2COC3(C2)CC[NH+](CC2CC2)CC3)c1 ZINC000096047895 185072391 /nfs/dbraw/zinc/07/23/91/185072391.db2.gz RIVJETJECWAGEI-INIZCTEOSA-N 1 0 288.391 2.494 40 0 CEABRO COc1ccc(C[N@@H+]2CCC[C@]3(CCCC(=O)N3)C2)cc1 ZINC000096049945 185074455 /nfs/dbraw/zinc/07/44/55/185074455.db2.gz OUKKDIVLTZNWJP-QGZVFWFLSA-N 1 0 288.391 2.330 40 0 CEABRO Fc1cccc(O[C@@H]2C[C@H]3C[N@H+](CC4CC4)CCN3C2)c1 ZINC000096055157 185075853 /nfs/dbraw/zinc/07/58/53/185075853.db2.gz NJDAHRFTRCEKOQ-DOTOQJQBSA-N 1 0 290.382 2.373 40 0 CEABRO O=C([C@@H]1CCC2(CC[NH+](CC3CC3)CC2)O1)N1CCCC1 ZINC000096061260 185083477 /nfs/dbraw/zinc/08/34/77/185083477.db2.gz RFZBALKLLRHKRP-HNNXBMFYSA-N 1 0 292.423 2.032 40 0 CEABRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3ccsc3)C2)C1 ZINC000096071569 185086289 /nfs/dbraw/zinc/08/62/89/185086289.db2.gz XCLXNTAOOWJNGR-CQSZACIVSA-N 1 0 264.394 2.306 40 0 CEABRO C[C@H]([NH3+])C(=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000037799164 361941490 /nfs/dbraw/zinc/94/14/90/361941490.db2.gz QBXLBNYXAZAXCG-ZETCQYMHSA-N 1 0 261.152 2.299 40 0 CEABRO CSc1ccc(CN(C)C(=O)[C@@H]([NH3+])C(C)C)cc1 ZINC000037798957 361941699 /nfs/dbraw/zinc/94/16/99/361941699.db2.gz OHTIXLQFHQVDPZ-ZDUSSCGKSA-N 1 0 266.410 2.350 40 0 CEABRO C[C@]1(NC(=O)OCc2ccccc2)CCC[NH2+]CC1 ZINC000110916065 344270407 /nfs/dbraw/zinc/27/04/07/344270407.db2.gz RLOZCRZXZCCVMW-HNNXBMFYSA-N 1 0 262.353 2.445 40 0 CEABRO Cc1ccc([C@@H]2C[NH2+]C[C@H]2NC(=O)OC(C)(C)C)o1 ZINC000409422471 344888126 /nfs/dbraw/zinc/88/81/26/344888126.db2.gz GIKDBHULHZGVOK-GHMZBOCLSA-N 1 0 266.341 2.168 40 0 CEABRO O=C1CCCC[C@H]2[NH2+][C@H](Cc3ccccc3)C[C@@H]2N1 ZINC000585260859 345009046 /nfs/dbraw/zinc/00/90/46/345009046.db2.gz RYLKWCWAOOJWSN-KFWWJZLASA-N 1 0 258.365 2.018 40 0 CEABRO O[C@@H]1C[N@H+](Cc2ccc[nH]2)C[C@]12C[C@H](c1ccccc1)CO2 ZINC000585292105 345010416 /nfs/dbraw/zinc/01/04/16/345010416.db2.gz XKKUELFLKQUNJT-CGTJXYLNSA-N 1 0 298.386 2.134 40 0 CEABRO CCN(C[C@H]1CC[NH2+]C1)C(=O)OCc1ccccc1 ZINC000059301321 362647810 /nfs/dbraw/zinc/64/78/10/362647810.db2.gz OEIMZGYBBMUMBT-AWEZNQCLSA-N 1 0 262.353 2.255 40 0 CEABRO Cc1oncc1CN1CC[NH+](C2CCCCC2)CC1 ZINC000128943399 365811698 /nfs/dbraw/zinc/81/16/98/365811698.db2.gz LGSQKYBZKROQBV-UHFFFAOYSA-N 1 0 263.385 2.433 40 0 CEABRO c1cnc(NC2CC3(C2)CC[N@@H+](Cc2cccnc2)C3)nc1 ZINC000108528352 186221498 /nfs/dbraw/zinc/22/14/98/186221498.db2.gz PXOOWTQXGHRPLO-UHFFFAOYSA-N 1 0 295.390 2.338 40 0 CEABRO Brc1cccc2c1ccnc2N1CC[NH2+]CC1 ZINC000072206976 363120541 /nfs/dbraw/zinc/12/05/41/363120541.db2.gz WIXAPHCCZLLAQL-UHFFFAOYSA-N 1 0 292.180 2.407 40 0 CEABRO Cc1nc([C@H]2CCC[NH2+]2)cc(N2CCC(C)CC2)n1 ZINC000072386524 363132896 /nfs/dbraw/zinc/13/28/96/363132896.db2.gz LYOYICDZAVTHCR-CYBMUJFWSA-N 1 0 260.385 2.446 40 0 CEABRO Cc1ccccc1OCC(=O)NCCC1CC[NH+](C)CC1 ZINC000156312240 188254930 /nfs/dbraw/zinc/25/49/30/188254930.db2.gz GKQDXNPUDZOHKE-UHFFFAOYSA-N 1 0 290.407 2.222 40 0 CEABRO OCC[N@@H+]1CCC[C@@H]1CN(Cc1ccccc1)C1CC1 ZINC000079414361 363596654 /nfs/dbraw/zinc/59/66/54/363596654.db2.gz ZXMYKCCVNPAYGO-QGZVFWFLSA-N 1 0 274.408 2.108 40 0 CEABRO CC(C)[C@H]([NH3+])C(=O)N(C(C)C)[C@H](C)c1ccccn1 ZINC000079421846 363599377 /nfs/dbraw/zinc/59/93/77/363599377.db2.gz AYHYSKOUAFZWKZ-OCCSQVGLSA-N 1 0 263.385 2.363 40 0 CEABRO C[NH2+][C@H](C)Cc1cc2c(cc1Br)OCO2 ZINC000299817371 200881933 /nfs/dbraw/zinc/88/19/33/200881933.db2.gz ZIBHSZQEEWBQLW-SSDOTTSWSA-N 1 0 272.142 2.328 40 0 in-vitro CEABRO Cc1cc2c(cccc2OC[C@H](O)C[NH2+]C(C)C)[nH]1 ZINC000000004354 361116177 /nfs/dbraw/zinc/11/61/77/361116177.db2.gz NXWGWUVGUSFQJC-GFCCVEGCSA-N 1 0 262.353 2.214 40 0 in-man CEABRO C[NH2+][C@H]1Cc2c[nH]c3cccc(c23)[C@@]12C=C(C)C(=O)O2 ZINC000001559985 361207545 /nfs/dbraw/zinc/20/75/45/361207545.db2.gz QTWQJTORJVFWAQ-BBRMVZONSA-N 1 0 268.316 2.010 40 0 CEABRO Cc1[nH+]c(N)nc(N)c1Oc1ccc(Cl)cc1 ZINC000001690721 361216872 /nfs/dbraw/zinc/21/68/72/361216872.db2.gz SRAYHJGJNAQSTI-UHFFFAOYSA-N 1 0 250.689 2.395 40 0 CEABRO CC[NH+](CC)C[C@@]1(C)NN=C2C(n3cccc3)=CC=CN21 ZINC000005759755 361335148 /nfs/dbraw/zinc/33/51/48/361335148.db2.gz GNFHBUATZXYEPB-INIZCTEOSA-N 1 0 285.395 2.133 40 0 CEABRO C[N@@H+]1CCC[C@H](C(=O)Nc2ccc(F)c(F)c2)C1 ZINC000082339217 363767940 /nfs/dbraw/zinc/76/79/40/363767940.db2.gz NFXDAXSOEKSJRV-VIFPVBQESA-N 1 0 254.280 2.245 40 0 CEABRO COc1cc(NC(=O)[C@@H]2CCC[NH2+]2)ccc1-n1cccc1 ZINC000012118019 361373359 /nfs/dbraw/zinc/37/33/59/361373359.db2.gz LPLSVXFVGNDDKB-ZDUSSCGKSA-N 1 0 285.347 2.176 40 0 CEABRO Cc1cc(C)cc(OCC(=O)NCCC[NH+]2CCCC2)c1 ZINC000013672097 361435219 /nfs/dbraw/zinc/43/52/19/361435219.db2.gz JXAWIHZDGVJMAE-UHFFFAOYSA-N 1 0 290.407 2.284 40 0 CEABRO c1ccc(CN2CCc3nc([C@H]4CCC[NH2+]4)ncc3C2)cc1 ZINC000019372339 361529498 /nfs/dbraw/zinc/52/94/98/361529498.db2.gz VMOKBFZFSYDDDQ-QGZVFWFLSA-N 1 0 294.402 2.459 40 0 CEABRO COc1cccc(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c1 ZINC000019575780 361543407 /nfs/dbraw/zinc/54/34/07/361543407.db2.gz YWXCEYSSIJOVDP-ZFWWWQNUSA-N 1 0 260.381 2.364 40 0 CEABRO COc1cc2ccccc2cc1C(=O)NCC[NH+](C)C ZINC000020051081 361575213 /nfs/dbraw/zinc/57/52/13/361575213.db2.gz JXKJEZAVCSMUKP-UHFFFAOYSA-N 1 0 272.348 2.140 40 0 CEABRO O=C(c1cc(Cl)cc(Cl)c1)N1CCC[NH2+]CC1 ZINC000021958385 361586851 /nfs/dbraw/zinc/58/68/51/361586851.db2.gz XDOZLFNHVDFDGW-UHFFFAOYSA-N 1 0 273.163 2.429 40 0 CEABRO CO[C@@H]1CC[C@H]2[C@H]1OCC[N@@H+]2Cc1ccc(C)s1 ZINC000096057760 364399777 /nfs/dbraw/zinc/39/97/77/364399777.db2.gz KQWWXAYANNAFOW-BFHYXJOUSA-N 1 0 267.394 2.435 40 0 CEABRO c1ccc2c(c1)[C@@H]1C[N@H+](CC3CC3)C[C@@H]1[C@H]2N1CCOCC1 ZINC000096058354 364400013 /nfs/dbraw/zinc/40/00/13/364400013.db2.gz JFFKPXSIPRWKCA-FHWLQOOXSA-N 1 0 298.430 2.499 40 0 CEABRO COC[C@@H]1CC2(CO1)CC[NH+](Cc1ccccn1)CC2 ZINC000096206250 364410637 /nfs/dbraw/zinc/41/06/37/364410637.db2.gz XVCXNZXVWNTXJB-HNNXBMFYSA-N 1 0 276.380 2.099 40 0 CEABRO CC(C)[C@H]1CO[C@]2(CC[N@H+](Cc3cnn(C)c3)C2)C1 ZINC000096218244 364412416 /nfs/dbraw/zinc/41/24/16/364412416.db2.gz ODYKVAIZCSTCFV-HUUCEWRRSA-N 1 0 263.385 2.057 40 0 CEABRO CC(C)(C)CC(=O)N1CCC2(CC[C@H](C[NH3+])OC2)CC1 ZINC000096268415 364420134 /nfs/dbraw/zinc/42/01/34/364420134.db2.gz WQXMZXKVUKLTDB-CYBMUJFWSA-N 1 0 282.428 2.169 40 0 CEABRO C[C@@H]([NH3+])c1cc(=O)n2nc(-c3cccs3)cc2[nH]1 ZINC000100733770 364549931 /nfs/dbraw/zinc/54/99/31/364549931.db2.gz BOZWINQCSOCSQL-SSDOTTSWSA-N 1 0 260.322 2.183 40 0 CEABRO CC(C)(C)OC(=O)NC[C@H]1CC[NH2+]C[C@@H]1C(F)(F)F ZINC000199714892 189683314 /nfs/dbraw/zinc/68/33/14/189683314.db2.gz DSVLUHRWMIGJHS-BDAKNGLRSA-N 1 0 282.306 2.299 40 0 CEABRO NC(=[NH2+])c1cc(Cl)ccc1I ZINC000199795835 189683900 /nfs/dbraw/zinc/68/39/00/189683900.db2.gz ITRSWKROFLRHQN-UHFFFAOYSA-N 1 0 280.496 2.229 40 0 CEABRO CCOc1cccc2c(N3CC[NH2+]CC3)cc(C)nc12 ZINC000225322019 370289548 /nfs/dbraw/zinc/28/95/48/370289548.db2.gz FJYLXBOZTOONDX-UHFFFAOYSA-N 1 0 271.364 2.352 40 0 CEABRO C[N@@H+]1CC[C@@H]2OCCC[C@@]2(COc2ncccc2F)C1 ZINC000248021971 371155513 /nfs/dbraw/zinc/15/55/13/371155513.db2.gz JDMVDVDTOQKFQM-ZFWWWQNUSA-N 1 0 280.343 2.100 40 0 CEABRO Cc1nn(C)cc1C[NH2+]Cc1cnn(C(C)C)c1C ZINC000256053777 190004959 /nfs/dbraw/zinc/00/49/59/190004959.db2.gz SUYIOKCQVYGWMZ-UHFFFAOYSA-N 1 0 261.373 2.104 40 0 CEABRO Cc1c[nH]nc1[C@H]1CC[N@H+](Cc2ncccc2C)C1 ZINC000257224483 190015105 /nfs/dbraw/zinc/01/51/05/190015105.db2.gz FBZNHWVFLUHMOC-ZDUSSCGKSA-N 1 0 256.353 2.411 40 0 CEABRO O[C@H]1C[N@H+](Cc2ccc3cc[nH]c3c2)CC[C@@]12CCCO2 ZINC000257226188 190015270 /nfs/dbraw/zinc/01/52/70/190015270.db2.gz FJMZZACRXRXYJY-IRXDYDNUSA-N 1 0 286.375 2.284 40 0 CEABRO Cc1cncc([C@@H]2CCC[N@H+](CC3CCOCC3)C2)n1 ZINC000257255410 190020687 /nfs/dbraw/zinc/02/06/87/190020687.db2.gz KHIXFXBGUXBKAV-OAHLLOKOSA-N 1 0 275.396 2.391 40 0 CEABRO Cc1cn(C)c([C@H]2CCC[N@H+](Cc3cnc(C)nc3)C2)n1 ZINC000257238171 190017919 /nfs/dbraw/zinc/01/79/19/190017919.db2.gz HJWJDRNPCMHCGK-HNNXBMFYSA-N 1 0 285.395 2.207 40 0 CEABRO CC1(c2nccs2)CC[NH+]([C@H]2CCOC2)CC1 ZINC000257242603 190018589 /nfs/dbraw/zinc/01/85/89/190018589.db2.gz IDHBCNUNTCOBCA-NSHDSACASA-N 1 0 252.383 2.286 40 0 CEABRO c1cc2cc(C[C@H]3COC4(C3)CC[NH2+]CC4)cnc2[nH]1 ZINC000257264680 190023264 /nfs/dbraw/zinc/02/32/64/190023264.db2.gz LVPRNAGKHAPJFZ-CYBMUJFWSA-N 1 0 271.364 2.264 40 0 CEABRO CCN(CC)C(=O)c1cc(C2CC[NH+](C)CC2)nc(C)n1 ZINC000257252552 190021095 /nfs/dbraw/zinc/02/10/95/190021095.db2.gz JVEGOOMWSXWSPG-UHFFFAOYSA-N 1 0 290.411 2.076 40 0 CEABRO Cc1c[nH]nc1[C@@H]1CC[N@H+](Cc2ccc(C)nc2)C1 ZINC000257285045 190027348 /nfs/dbraw/zinc/02/73/48/190027348.db2.gz PFKBCBBBYLFGGM-CQSZACIVSA-N 1 0 256.353 2.411 40 0 CEABRO Cc1cc(-c2cnc(C[C@@H]3CC[N@@H+](C(C)C)C3)cn2)n[nH]1 ZINC000257273979 190025030 /nfs/dbraw/zinc/02/50/30/190025030.db2.gz NJAHNQXYGRUQGL-ZDUSSCGKSA-N 1 0 285.395 2.448 40 0 CEABRO C[N@@H+]1C[C@@H](c2cc(F)cc(F)c2)[C@]2(C1)CCCCC(=O)N2 ZINC000257293751 190028433 /nfs/dbraw/zinc/02/84/33/190028433.db2.gz QQZVLBQBFHCMPO-GOEBONIOSA-N 1 0 294.345 2.423 40 0 CEABRO Cc1cn(C)c([C@@H]2CC[N@H+](Cc3csc(C)n3)C2)n1 ZINC000257297133 190029873 /nfs/dbraw/zinc/02/98/73/190029873.db2.gz RGAJMTQBBKDDOS-GFCCVEGCSA-N 1 0 276.409 2.483 40 0 CEABRO Cc1cccc(C(=O)N2CCC[C@]3(C)[NH2+]CCC[C@@H]23)n1 ZINC000257315618 190032700 /nfs/dbraw/zinc/03/27/00/190032700.db2.gz VCDSNXOQFNDRAV-ZBFHGGJFSA-N 1 0 273.380 2.137 40 0 CEABRO Cc1cc(-c2nccnc2C[C@@H]2CCC[N@@H+](C)C2)n[nH]1 ZINC000257328770 190034558 /nfs/dbraw/zinc/03/45/58/190034558.db2.gz XHBAJTIFIIVBCR-LBPRGKRZSA-N 1 0 271.368 2.059 40 0 CEABRO CC(C)n1nccc1-c1cnc(CC2CC[NH2+]CC2)cn1 ZINC000257330101 190034684 /nfs/dbraw/zinc/03/46/84/190034684.db2.gz XMVIFLWQSDNQKK-UHFFFAOYSA-N 1 0 285.395 2.463 40 0 CEABRO Cc1cc(C)nc(Nc2cc(C)nc([C@@H]3CCC[NH2+]C3)n2)n1 ZINC000257329893 190035122 /nfs/dbraw/zinc/03/51/22/190035122.db2.gz XLYGITNWGIZSPF-CYBMUJFWSA-N 1 0 298.394 2.402 40 0 CEABRO CCn1cc(-c2cnc([C@@H]3CCC[N@H+](C)C3)cn2)cn1 ZINC000257331824 190035370 /nfs/dbraw/zinc/03/53/70/190035370.db2.gz XUKPQCADAVDZTB-GFCCVEGCSA-N 1 0 271.368 2.169 40 0 CEABRO Cc1cccnc1Nc1cncc([C@H]2CCC[NH2+]C2)n1 ZINC000257341037 190037223 /nfs/dbraw/zinc/03/72/23/190037223.db2.gz ZIOYMNLPVZDOKO-LBPRGKRZSA-N 1 0 269.352 2.391 40 0 CEABRO O[C@H]1CC[N@H+](CC2CCOCC2)[C@H]1Cc1ccccc1 ZINC000306128231 376541040 /nfs/dbraw/zinc/54/10/40/376541040.db2.gz GUUZJJLCXBFHHS-IRXDYDNUSA-N 1 0 275.392 2.091 40 0 CEABRO O=C1c2ccccc2[C@H]2C[N@H+](C3CCCC3)CCN12 ZINC000096088818 285026891 /nfs/dbraw/zinc/02/68/91/285026891.db2.gz BSAUWOOWEHWNAT-OAHLLOKOSA-N 1 0 256.349 2.442 40 0 CEABRO OCC[N@@H+]1CCCC[C@@H]1CN(Cc1ccccc1)C1CC1 ZINC000079414407 285259083 /nfs/dbraw/zinc/25/90/83/285259083.db2.gz IRGAEBXJYHMMRC-GOSISDBHSA-N 1 0 288.435 2.498 40 0 CEABRO CC[C@H]([C@H]([NH3+])c1ccc(Cl)cc1)S(C)(=O)=O ZINC000096524876 256730248 /nfs/dbraw/zinc/73/02/48/256730248.db2.gz BWOXVNSBUYJWPU-GHMZBOCLSA-N 1 0 261.774 2.163 40 0 CEABRO CCSc1ncc(C[NH2+]C[C@@H](O)c2ccccc2)cn1 ZINC000062717309 256722159 /nfs/dbraw/zinc/72/21/59/256722159.db2.gz YZNJJJVIHPJPSO-CQSZACIVSA-N 1 0 289.404 2.412 40 0 CEABRO Cc1ccc(Cl)cc1-n1ncc2c1nc[nH+]c2NN ZINC000008550921 394460495 /nfs/dbraw/zinc/46/04/95/394460495.db2.gz JLIVTNSKOSLMPH-UHFFFAOYSA-N 1 0 274.715 2.063 40 0 CEABRO Cc1nc2c(c(=O)[nH]1)CC[N@H+](CC1CCCCC1)C2 ZINC000019576573 394468439 /nfs/dbraw/zinc/46/84/39/394468439.db2.gz KACCRSKZQOGAEM-UHFFFAOYSA-N 1 0 261.369 2.429 40 0 CEABRO CSc1ncc(C[NH2+]CCCOc2ccccn2)cn1 ZINC000062717266 394571073 /nfs/dbraw/zinc/57/10/73/394571073.db2.gz VJKKWTBEAZSOGX-UHFFFAOYSA-N 1 0 290.392 2.152 40 0 CEABRO Cc1cc([C@H]([NH3+])c2ccccc2)cnc1N1CCOCC1 ZINC000072222517 394594507 /nfs/dbraw/zinc/59/45/07/394594507.db2.gz BVGRPPKHIIFBTD-MRXNPFEDSA-N 1 0 283.375 2.275 40 0 CEABRO Cc1cc(-c2cc(C)nc([C@@H]3CCC[N@@H+](C)C3)n2)n[nH]1 ZINC000257258287 394595579 /nfs/dbraw/zinc/59/55/79/394595579.db2.gz KTEIRCCEZJDBSZ-GFCCVEGCSA-N 1 0 271.368 2.293 40 0 CEABRO CC(C)C[N@H+](Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000072953121 394602485 /nfs/dbraw/zinc/60/24/85/394602485.db2.gz GNNRZPHFKMGXRH-HNNXBMFYSA-N 1 0 281.421 2.332 40 0 CEABRO CC(C)N(C[C@@H]1CCC[N@@H+]1CCO)C(=O)OC(C)(C)C ZINC000079408072 394631319 /nfs/dbraw/zinc/63/13/19/394631319.db2.gz ZHVLTSMOZCQNNF-ZDUSSCGKSA-N 1 0 286.416 2.089 40 0 CEABRO O=C1Nc2ccccc2C12CC[NH+](CC1CC1)CC2 ZINC000096052485 394675506 /nfs/dbraw/zinc/67/55/06/394675506.db2.gz OBFBAHCYXLOKKD-UHFFFAOYSA-N 1 0 256.349 2.382 40 0 CEABRO COC[C@@]12CCO[C@@H]1CC[N@H+](Cc1ccc(F)cc1)C2 ZINC000096110320 394677223 /nfs/dbraw/zinc/67/72/23/394677223.db2.gz BOLQCTQFBZFHBM-CVEARBPZSA-N 1 0 279.355 2.453 40 0 CEABRO CCS(=O)(=O)[C@H](C)[C@@H]([NH3+])c1cccc(Cl)c1 ZINC000096524818 394696594 /nfs/dbraw/zinc/69/65/94/394696594.db2.gz VVECBZDCBJYVGF-LDYMZIIASA-N 1 0 261.774 2.163 40 0 CEABRO [NH3+]CCn1nccc1-c1ccc(Br)cc1 ZINC000096527683 394697367 /nfs/dbraw/zinc/69/73/67/394697367.db2.gz IXYQYBCJZKPRQK-UHFFFAOYSA-N 1 0 266.142 2.271 40 0 CEABRO CCOC(C[NH2+]Cc1ccc(OC)cc1OC)OCC ZINC000096530043 394698348 /nfs/dbraw/zinc/69/83/48/394698348.db2.gz ZOHGIFWCDLWCLO-UHFFFAOYSA-N 1 0 283.368 2.193 40 0 CEABRO O=C1Nc2c(cccc2Br)C12CC[NH2+]CC2 ZINC000098213798 394702507 /nfs/dbraw/zinc/70/25/07/394702507.db2.gz QPBXODOBNQNOOF-UHFFFAOYSA-N 1 0 281.153 2.022 40 0 CEABRO CCOC(=O)[C@@H]([C@H](C)[NH+]1CCCCC1)N1CCCCC1 ZINC000019366258 285854980 /nfs/dbraw/zinc/85/49/80/285854980.db2.gz IRUSQNAIDMLKBQ-LSDHHAIUSA-N 1 0 282.428 2.278 40 0 CEABRO C[C@@H]1CN([C@@H](C[NH3+])c2cccc(Cl)c2)C[C@H](C)O1 ZINC000022222154 171378961 /nfs/dbraw/zinc/37/89/61/171378961.db2.gz NLAGDHOLDUBGQI-WDMOLILDSA-N 1 0 268.788 2.449 40 0 CEABRO CC[C@H](Oc1ccccc1Cl)C(=O)NCC[NH+](C)C ZINC000022519747 171389565 /nfs/dbraw/zinc/38/95/65/171389565.db2.gz QGSIUIJJGGGSAC-LBPRGKRZSA-N 1 0 284.787 2.175 40 0 CEABRO C[C@@H](O)C[NH2+]CCNc1ccnc2cc(Cl)ccc21 ZINC000045221334 175330051 /nfs/dbraw/zinc/33/00/51/175330051.db2.gz RFNXDTUARRKJEQ-SNVBAGLBSA-N 1 0 279.771 2.271 40 0 CEABRO O[C@@H]1C[C@H](c2ccccc2)[C@@H]([NH2+]Cc2ccccc2)[C@@H]1O ZINC000072321630 176368865 /nfs/dbraw/zinc/36/88/65/176368865.db2.gz UXVPONVFEOKGFN-BRSBDYLESA-N 1 0 283.371 2.054 40 0 biogenic,in-vitro CEABRO NC(=O)c1ccc(-c2cccc([C@H]3CCC[NH2+]C3)n2)cc1 ZINC000072348388 176373044 /nfs/dbraw/zinc/37/30/44/176373044.db2.gz PKLRZDDQOUBNBH-AWEZNQCLSA-N 1 0 281.359 2.315 40 0 CEABRO CC(C)[NH+]1CCC(c2cccc(C(=O)N(C)C)n2)CC1 ZINC000072355784 176374672 /nfs/dbraw/zinc/37/46/72/176374672.db2.gz RZSWKDRNHFTXFQ-UHFFFAOYSA-N 1 0 275.396 2.371 40 0 CEABRO Nc1ccc(-c2cc(C[C@H]3CCC[NH2+]CC3)ncn2)cn1 ZINC000072364783 176380058 /nfs/dbraw/zinc/38/00/58/176380058.db2.gz YBCVPTQOWRBLOB-LBPRGKRZSA-N 1 0 283.379 2.053 40 0 CEABRO Cc1cc(N(C)C)cc([C@@H]2CCN(c3ncccn3)C2)[nH+]1 ZINC000072385407 176390012 /nfs/dbraw/zinc/39/00/12/176390012.db2.gz MUBJWIBZYTVLDD-CYBMUJFWSA-N 1 0 283.379 2.240 40 0 CEABRO C[N@@H+]1CCC[C@@H](c2ccnc(C(=O)N3CCCC3)c2)C1 ZINC000072387015 176392891 /nfs/dbraw/zinc/39/28/91/176392891.db2.gz MUKRORNPQQABBI-CQSZACIVSA-N 1 0 273.380 2.127 40 0 CEABRO CCN(Cc1ccccc1)[C@@H]1CCCC[C@@H]1[NH2+]CCO ZINC000079414242 177483913 /nfs/dbraw/zinc/48/39/13/177483913.db2.gz GAMVUPFKLNSLOS-DLBZAZTESA-N 1 0 276.424 2.402 40 0 CEABRO COC(=O)N[C@H]1CC2(CC[NH2+]CC2)c2ccccc21 ZINC000096157328 260563735 /nfs/dbraw/zinc/56/37/35/260563735.db2.gz MVTDMQQPTOIWIO-ZDUSSCGKSA-N 1 0 260.337 2.109 40 0 CEABRO O=C(c1ccsc1)N1C[C@@]2(CC[NH2+]C2)c2ncccc21 ZINC000306124723 275014991 /nfs/dbraw/zinc/01/49/91/275014991.db2.gz BXSCCQYWBKZZCX-HNNXBMFYSA-N 1 0 285.372 2.035 40 0 CEABRO CC(=O)Nc1ccc(CN2C[C@H]3CCC[N@H+]3C[C@H]2C)cc1 ZINC000072397534 277074934 /nfs/dbraw/zinc/07/49/34/277074934.db2.gz KRPIUDZFESOZPM-CXAGYDPISA-N 1 0 287.407 2.314 40 0 CEABRO COc1ccc(OC[C@@H](O)C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000095533106 277922088 /nfs/dbraw/zinc/92/20/88/277922088.db2.gz RHMRQCVSUOJGHE-KKUMJFAQSA-N 1 0 293.407 2.413 40 0 CEABRO CC1(C)[C@@H]2CC[C@@]1(C)[C@H](SC1=[NH+]CCN1)C2=O ZINC000006755011 278430655 /nfs/dbraw/zinc/43/06/55/278430655.db2.gz YFDJJLGIQNHJNS-JQEORGNBSA-N 1 0 252.383 2.073 40 0 CEABRO CC[NH+](CC)CCCN[C@H](C)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000013561972 520624754 /nfs/dbraw/zinc/62/47/54/520624754.db2.gz HNOIFNMTCSBWKU-OWCLPIDISA-N 1 0 297.487 2.486 40 0 CEABRO COc1ccc(-c2nnc([C@H]([NH3+])C(C)C)[nH]2)cc1OC ZINC000095534771 185007954 /nfs/dbraw/zinc/00/79/54/185007954.db2.gz PUFOZBXKMPUDOR-GFCCVEGCSA-N 1 0 276.340 2.145 40 0 CEABRO [NH3+][C@H](Cc1ccccc1)c1nnc(-c2ccc(O)cc2)[nH]1 ZINC000095534849 185008038 /nfs/dbraw/zinc/00/80/38/185008038.db2.gz ZYSYUSDORFFEJK-CQSZACIVSA-N 1 0 280.331 2.420 40 0 CEABRO CC(=O)CCN(CC[NH3+])c1nc2cc(Cl)ccc2o1 ZINC000095937964 185034894 /nfs/dbraw/zinc/03/48/94/185034894.db2.gz YTWPOFGYUCAWOL-UHFFFAOYSA-N 1 0 281.743 2.225 40 0 CEABRO CC(C)(C)OC(=O)N1CCC([NH3+])(Cc2ccccn2)CC1 ZINC000096029435 185067152 /nfs/dbraw/zinc/06/71/52/185067152.db2.gz GSGJCNFJTQQRQG-UHFFFAOYSA-N 1 0 291.395 2.353 40 0 CEABRO Cc1ccc(C[NH+]2CCC3(CCN(C)C3=O)CC2)o1 ZINC000096046712 185071151 /nfs/dbraw/zinc/07/11/51/185071151.db2.gz APQGMOURTRDTKC-UHFFFAOYSA-N 1 0 262.353 2.032 40 0 CEABRO CN1CCC2(CC[NH+](Cc3cccs3)CC2)C1=O ZINC000096046709 185071315 /nfs/dbraw/zinc/07/13/15/185071315.db2.gz CZWLNAKRXOIXHW-UHFFFAOYSA-N 1 0 264.394 2.192 40 0 CEABRO CC[C@H]1[N@H+](C)CCC[C@]12CCC(=O)N2Cc1ccncc1 ZINC000096045697 185071752 /nfs/dbraw/zinc/07/17/52/185071752.db2.gz YMLYZPJBXUMTSQ-WBVHZDCISA-N 1 0 287.407 2.447 40 0 CEABRO C[N@@H+]1CCC[C@@]2(CN(Cc3cccs3)CCO2)C1 ZINC000096049060 185072943 /nfs/dbraw/zinc/07/29/43/185072943.db2.gz KPDQBGYWMBSKGJ-AWEZNQCLSA-N 1 0 266.410 2.045 40 0 CEABRO Cc1nc(CN2C(=O)C[C@@H]3[C@@H]2CC[N@@H+]3CC2CC2)cs1 ZINC000096055656 185075533 /nfs/dbraw/zinc/07/55/33/185075533.db2.gz NGLOSXBJQSNQAH-UONOGXRCSA-N 1 0 291.420 2.037 40 0 CEABRO CCOC(=O)CCn1c2ccccc2c2c1CC[C@@H]([NH3+])C2 ZINC000034022670 361787349 /nfs/dbraw/zinc/78/73/49/361787349.db2.gz JBPJHJKUDABBRS-GFCCVEGCSA-N 1 0 286.375 2.411 40 0 CEABRO OC[C@H]1C[N@H+](Cc2ccccc2)CCN1Cc1ccccc1 ZINC000034064128 361787642 /nfs/dbraw/zinc/78/76/42/361787642.db2.gz SOUPGWGAPDMYFM-LJQANCHMSA-N 1 0 296.414 2.365 40 0 CEABRO c1csc(CN2CC[N@@H+]3C[C@H](OCC4CC4)C[C@@H]3C2)c1 ZINC000096054991 185076755 /nfs/dbraw/zinc/07/67/55/185076755.db2.gz NRAXYOAGABLPCC-HUUCEWRRSA-N 1 0 292.448 2.433 40 0 CEABRO C[C@H]1C(=O)NC[C@H]2C[N@@H+](Cc3ccc4ccccc4n3)C[C@H]21 ZINC000096100625 185098260 /nfs/dbraw/zinc/09/82/60/185098260.db2.gz KXJOLSSIYMRVEJ-INWMFGNUSA-N 1 0 295.386 2.049 40 0 CEABRO [NH3+]CC1CCN(c2ccc(Br)cn2)CC1 ZINC000044514819 362154097 /nfs/dbraw/zinc/15/40/97/362154097.db2.gz QMPLODKMKQKDHK-UHFFFAOYSA-N 1 0 270.174 2.019 40 0 CEABRO C[C@@H]1C[C@@]1(C[NH3+])[C@H](O)c1cccc(Br)c1 ZINC000096527172 344240243 /nfs/dbraw/zinc/24/02/43/344240243.db2.gz NZNKECSTXOMISB-FXAINCCUSA-N 1 0 270.170 2.467 40 0 CEABRO CC(C)(C)c1cc(CN2CCCC[C@H]2C[NH3+])[nH]n1 ZINC000096523571 344240380 /nfs/dbraw/zinc/24/03/80/344240380.db2.gz HYSSLUMJEPOROM-LBPRGKRZSA-N 1 0 250.390 2.020 40 0 CEABRO COC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C1CC1 ZINC000143407359 344405772 /nfs/dbraw/zinc/40/57/72/344405772.db2.gz ZDMJGGAGLPQNCB-CABCVRRESA-N 1 0 259.349 2.318 40 0 CEABRO O[C@@]1(COc2cccc(Cl)c2)CCC[NH2+]CC1 ZINC000399490758 344857945 /nfs/dbraw/zinc/85/79/45/344857945.db2.gz DKPHLWYPQVNCBV-ZDUSSCGKSA-N 1 0 255.745 2.223 40 0 CEABRO COc1ccc([C@@H]2C[NH2+]CCN2C(=O)c2ccccc2)cc1 ZINC000585177543 345009127 /nfs/dbraw/zinc/00/91/27/345009127.db2.gz BOPIREJOQAWMEK-KRWDZBQOSA-N 1 0 296.370 2.482 40 0 CEABRO Cc1nccc(C[N@@H+]2CC[C@H](O)[C@H](Cc3ccccc3)C2)n1 ZINC000585268889 345009351 /nfs/dbraw/zinc/00/93/51/345009351.db2.gz CSAVEWRVFHHDQO-AEFFLSMTSA-N 1 0 297.402 2.211 40 0 CEABRO Fc1ccc2ncc(-c3cccc([C@@H]4C[NH2+]CCO4)n3)n2c1 ZINC000585263330 345009458 /nfs/dbraw/zinc/00/94/58/345009458.db2.gz VUIDHGATQAATPF-HNNXBMFYSA-N 1 0 298.321 2.196 40 0 CEABRO NC(=O)[C@H](c1cccc(Cl)c1)[C@@H]1CCCC[NH2+]1 ZINC000059534380 362650117 /nfs/dbraw/zinc/65/01/17/362650117.db2.gz NNXZVDYCDYJWSX-NWDGAFQWSA-N 1 0 252.745 2.051 40 0 CEABRO [NH3+]Cc1ccc(S(=O)(=O)C(F)F)c2ccccc12 ZINC000085390867 179047678 /nfs/dbraw/zinc/04/76/78/179047678.db2.gz YQMNSFDPUBSDHK-UHFFFAOYSA-N 1 0 271.288 2.295 40 0 CEABRO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](CC2CCC2)C1 ZINC000067800945 362925451 /nfs/dbraw/zinc/92/54/51/362925451.db2.gz JAEIGTZUFFYNQO-GFCCVEGCSA-N 1 0 254.374 2.386 40 0 CEABRO CCn1cc(CN2CC[NH2+]C[C@@H]2c2ccccc2)cn1 ZINC000068696124 362945033 /nfs/dbraw/zinc/94/50/33/362945033.db2.gz VXNQLTBISZVTRH-MRXNPFEDSA-N 1 0 270.380 2.050 40 0 CEABRO COC[C@@]12CCCO[C@@H]1CC[N@H+](Cc1c(C)noc1C)C2 ZINC000107711051 186188071 /nfs/dbraw/zinc/18/80/71/186188071.db2.gz GZUKRQBPKZRFIF-CVEARBPZSA-N 1 0 294.395 2.309 40 0 CEABRO O=C([C@@H]1CCC[C@@]12CC[N@H+](CC1CC1)C2)N1CC(F)(F)C1 ZINC000108531114 186222207 /nfs/dbraw/zinc/22/22/07/186222207.db2.gz HKEHDJZHPRFTIW-ZFWWWQNUSA-N 1 0 298.377 2.366 40 0 CEABRO C[C@@H](NC(=O)C1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000072799896 363166547 /nfs/dbraw/zinc/16/65/47/363166547.db2.gz DRMKBFNYKSICJK-LLVKDONJSA-N 1 0 264.344 2.345 40 0 CEABRO COc1cc(C)c(C(=O)NCC[NH+](C)C)cc1C(C)C ZINC000074948317 363426381 /nfs/dbraw/zinc/42/63/81/363426381.db2.gz JEMKQTULIYMVIY-UHFFFAOYSA-N 1 0 278.396 2.418 40 0 CEABRO CCNc1nc(NCCc2ccccc2)cc(C2CC2)[nH+]1 ZINC000328957626 202131574 /nfs/dbraw/zinc/13/15/74/202131574.db2.gz AKCVKENIHJCNER-UHFFFAOYSA-N 1 0 282.391 2.284 40 0 CEABRO CC(C)(C)OC(=O)N1CC[C@@](C[NH3+])(C(F)(F)F)C1 ZINC000199768731 538803528 /nfs/dbraw/zinc/80/35/28/538803528.db2.gz AHOVYALWYSSMRR-JTQLQIEISA-N 1 0 268.279 2.135 40 0 CEABRO [NH3+]CCOCC1CCN(C(=O)OCc2ccccc2)CC1 ZINC000079390665 363593947 /nfs/dbraw/zinc/59/39/47/363593947.db2.gz KJBCGAWAMLJRGB-UHFFFAOYSA-N 1 0 292.379 2.011 40 0 CEABRO CC(C)(C)OC(=O)N(CC1CC[NH+](CCO)CC1)C1CC1 ZINC000079408240 363595020 /nfs/dbraw/zinc/59/50/20/363595020.db2.gz JZIRAQHXZCNSLB-UHFFFAOYSA-N 1 0 298.427 2.090 40 0 CEABRO CC[N@H+](CCO)C[C@H]1CCCCN1Cc1ccccc1 ZINC000079393518 363594563 /nfs/dbraw/zinc/59/45/63/363594563.db2.gz MTUJIOUUKYCJHE-QGZVFWFLSA-N 1 0 276.424 2.355 40 0 CEABRO CC(C)(C)OC(=O)N(C1CC1)[C@H]1CCCC[C@H]1[NH2+]CCO ZINC000079408262 363596194 /nfs/dbraw/zinc/59/61/94/363596194.db2.gz QPHIDKJEKGGRLO-KGLIPLIRSA-N 1 0 298.427 2.279 40 0 CEABRO CC(C)(C)OC(=O)N(C[C@@H]1CCC[N@H+](CCO)C1)C1CC1 ZINC000079408227 363596218 /nfs/dbraw/zinc/59/62/18/363596218.db2.gz GVONRHMNXDNATN-CYBMUJFWSA-N 1 0 298.427 2.090 40 0 CEABRO C[NH+]1CCC(OC(=O)c2ccc3ncccc3c2)CC1 ZINC000001567568 361208907 /nfs/dbraw/zinc/20/89/07/361208907.db2.gz FUSDLEJZURVEAP-UHFFFAOYSA-N 1 0 270.332 2.486 40 0 CEABRO CN(C(=O)c1ccc(C(N)=[NH2+])cc1)c1ccccc1 ZINC000001750897 361221025 /nfs/dbraw/zinc/22/10/25/361221025.db2.gz TTYSGMYGNNIRGT-UHFFFAOYSA-N 1 0 253.305 2.247 40 0 CEABRO CCOCCC[NH2+]CC(=O)N[C@]1(C)[C@@H]2CC[C@@H](C2)C1(C)C ZINC000004400749 361316084 /nfs/dbraw/zinc/31/60/84/361316084.db2.gz ADQOVMUDQNVVLB-JJRVBVJISA-N 1 0 296.455 2.334 40 0 CEABRO CCN(CC)C(=O)COC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000005708326 361335484 /nfs/dbraw/zinc/33/54/84/361335484.db2.gz YXGLGZVQMGKEBH-LSDHHAIUSA-N 1 0 282.428 2.136 40 0 CEABRO CCN(CC)CC(CN(CC)CC)[NH2+]CC(C)C ZINC000019365991 361528642 /nfs/dbraw/zinc/52/86/42/361528642.db2.gz OHZIXUGUPAZQAR-UHFFFAOYSA-N 1 0 257.466 2.284 40 0 CEABRO C1=C[C@H]2C[C@@H]1C[C@@H]2C[NH+]1CCN(Cc2cccnc2)CC1 ZINC000019339205 361528651 /nfs/dbraw/zinc/52/86/51/361528651.db2.gz CZWLDJFQTDJMFQ-BPQIPLTHSA-N 1 0 283.419 2.411 40 0 CEABRO Cc1nc([C@H]2CC[N@H+](Cc3cccc(F)c3)C2)cc(=O)[nH]1 ZINC000019285256 361526549 /nfs/dbraw/zinc/52/65/49/361526549.db2.gz QFQXWYAXZGLQQN-ZDUSSCGKSA-N 1 0 287.338 2.207 40 0 CEABRO COc1ccccc1CN1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000019575160 361543343 /nfs/dbraw/zinc/54/33/43/361543343.db2.gz KCENCVINDMTRRT-HIFRSBDPSA-N 1 0 260.381 2.364 40 0 CEABRO [NH3+][C@H](Cc1cc(=O)[nH]c(-c2cccnc2)n1)c1ccccc1 ZINC000019369429 361530084 /nfs/dbraw/zinc/53/00/84/361530084.db2.gz XKBNQTCVSSZSHE-OAHLLOKOSA-N 1 0 292.342 2.074 40 0 CEABRO O=C(c1ccc(Cl)cc1Cl)N1CCC[NH2+]CC1 ZINC000022145793 361586872 /nfs/dbraw/zinc/58/68/72/361586872.db2.gz XDXMEPHLXUSKIS-UHFFFAOYSA-N 1 0 273.163 2.429 40 0 CEABRO COC(=O)[C@H](C[NH3+])Cc1cccc(Cl)c1Cl ZINC000095097692 364339639 /nfs/dbraw/zinc/33/96/39/364339639.db2.gz LXPCHBZVKYSDOJ-QMMMGPOBSA-N 1 0 262.136 2.284 40 0 CEABRO CC(C)[NH2+][C@@H]1CCc2c(ccc(=O)n2CC2CC2)C1 ZINC000096189744 364409250 /nfs/dbraw/zinc/40/92/50/364409250.db2.gz NBSGBLBOSLKBER-CQSZACIVSA-N 1 0 260.381 2.114 40 0 CEABRO c1c(C[NH+]2CCCC2)nc2n1CCN(Cc1ccccc1)C2 ZINC000096197215 364409457 /nfs/dbraw/zinc/40/94/57/364409457.db2.gz VVMCUMQWVLTLDF-UHFFFAOYSA-N 1 0 296.418 2.495 40 0 CEABRO C[N@@H+]1CC[C@@]2(C1)CCC[C@H](CNC(=O)c1ccsc1)O2 ZINC000096206742 364410126 /nfs/dbraw/zinc/41/01/26/364410126.db2.gz BAIYODQYLBSSFB-UKRRQHHQSA-N 1 0 294.420 2.121 40 0 CEABRO C[N@@H+]1CCC[C@]2(CCN(C(=O)Cc3ccccc3)C2)C1 ZINC000096268564 364420171 /nfs/dbraw/zinc/42/01/71/364420171.db2.gz UJMUZCMSWUNXBD-KRWDZBQOSA-N 1 0 272.392 2.173 40 0 CEABRO Cn1c2ccccc2nc1CN1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000096268578 364420697 /nfs/dbraw/zinc/42/06/97/364420697.db2.gz KORVTTKRNXMDIQ-SFHVURJKSA-N 1 0 298.434 2.491 40 0 CEABRO CC(C)C[N@@H+]1CCC[C@@]2(CCC(=O)N2CCF)CC1 ZINC000585099886 367177352 /nfs/dbraw/zinc/17/73/52/367177352.db2.gz QMRFDJXCMSEMFP-OAHLLOKOSA-N 1 0 270.392 2.459 40 0 CEABRO CCOc1cccc2c(N3CC[NH2+]CC3)ccnc12 ZINC000225321526 370289852 /nfs/dbraw/zinc/28/98/52/370289852.db2.gz NTASNNLKZVQQSK-UHFFFAOYSA-N 1 0 257.337 2.043 40 0 CEABRO c1cncc(COCC[C@@H]2CCOC23CC[NH2+]CC3)c1 ZINC000247816114 371142651 /nfs/dbraw/zinc/14/26/51/371142651.db2.gz BFRQKBNAGHSCCI-OAHLLOKOSA-N 1 0 276.380 2.147 40 0 CEABRO COCC[C@@H]1C[N@H+](CC2CCCC2)Cc2ccnn21 ZINC000247910884 371146714 /nfs/dbraw/zinc/14/67/14/371146714.db2.gz YHUCIBRRKZUYDG-OAHLLOKOSA-N 1 0 263.385 2.467 40 0 CEABRO c1cc(CO[C@H]2CCOC3(C[NH+](CC4CC4)C3)C2)ccn1 ZINC000253591329 371529989 /nfs/dbraw/zinc/52/99/89/371529989.db2.gz MKMWJBXGNOGUGV-INIZCTEOSA-N 1 0 288.391 2.242 40 0 CEABRO Cc1ccnc([C@@H]2CC[N@@H+](Cc3cccn3C)C2)n1 ZINC000257212424 190012733 /nfs/dbraw/zinc/01/27/33/190012733.db2.gz CDIOVHLEUBIEFR-CYBMUJFWSA-N 1 0 256.353 2.113 40 0 CEABRO Cc1cc(-c2nccs2)nc(CC2CC[NH2+]CC2)n1 ZINC000257229428 190016017 /nfs/dbraw/zinc/01/60/17/190016017.db2.gz FYCKISATUZRTEJ-UHFFFAOYSA-N 1 0 274.393 2.451 40 0 CEABRO Cc1nc[nH]c1C[NH+]1CCC(c2ccn3nccc3n2)CC1 ZINC000257235113 190017066 /nfs/dbraw/zinc/01/70/66/190017066.db2.gz GWMDYAVYEJKTHK-UHFFFAOYSA-N 1 0 296.378 2.140 40 0 CEABRO Cc1cccnc1C(=O)N1CCC[C@]2(C)[NH2+]CCC[C@@H]12 ZINC000257271620 190023863 /nfs/dbraw/zinc/02/38/63/190023863.db2.gz MZBULSOLRSCPFH-CJNGLKHVSA-N 1 0 273.380 2.137 40 0 CEABRO Cc1n[nH]cc1-c1cnc(C[C@@H]2CCC[N@@H+](C)C2)cn1 ZINC000257257915 190021868 /nfs/dbraw/zinc/02/18/68/190021868.db2.gz KRPLVXHAIRBZJG-LBPRGKRZSA-N 1 0 271.368 2.059 40 0 CEABRO Cc1cc(C)nc([C@@H]2CC[N@@H+](Cc3cccn3C)C2)n1 ZINC000257260439 190022067 /nfs/dbraw/zinc/02/20/67/190022067.db2.gz LCVKBGBIUWNSJL-CQSZACIVSA-N 1 0 270.380 2.421 40 0 CEABRO Cc1cccc(Nc2nccnc2[C@H]2CCC[NH2+]C2)n1 ZINC000257277249 190025513 /nfs/dbraw/zinc/02/55/13/190025513.db2.gz NXBCHKHNGRMSCG-LBPRGKRZSA-N 1 0 269.352 2.391 40 0 CEABRO CCn1nccc1-c1cc(C)nc(C2CC[NH2+]CC2)n1 ZINC000257281776 190026325 /nfs/dbraw/zinc/02/63/25/190026325.db2.gz OQZBOTISWBCDAV-UHFFFAOYSA-N 1 0 271.368 2.135 40 0 CEABRO Cc1noc(C)c1-c1nc([C@@H]2CCC[NH2+]C2)ccc1CO ZINC000257283111 190026565 /nfs/dbraw/zinc/02/65/65/190026565.db2.gz OWUSRYSUHDOXLW-GFCCVEGCSA-N 1 0 287.363 2.313 40 0 CEABRO Nc1ccc(-c2cnc(C[C@@H]3CCC[NH2+]CC3)cn2)cn1 ZINC000257300978 190029008 /nfs/dbraw/zinc/02/90/08/190029008.db2.gz RWLDOJSOWJOPFJ-GFCCVEGCSA-N 1 0 283.379 2.053 40 0 CEABRO COc1ccccc1[C@H]1C[N@@H+](C2CCOCC2)CCN1C ZINC000257300781 190029084 /nfs/dbraw/zinc/02/90/84/190029084.db2.gz RVQPZGCJSLNRQP-MRXNPFEDSA-N 1 0 290.407 2.163 40 0 CEABRO CCn1cnc2cc(NC(=O)CC3CC[NH2+]CC3)ccc21 ZINC000257297168 190029996 /nfs/dbraw/zinc/02/99/96/190029996.db2.gz RGECPFLNGLQJOD-UHFFFAOYSA-N 1 0 286.379 2.384 40 0 CEABRO CCn1nc(C)c(C[N@@H+]2CC[C@H](c3cc[nH]n3)C2)c1C ZINC000257304680 190030688 /nfs/dbraw/zinc/03/06/88/190030688.db2.gz SMRZFIRWGUQAHL-ZDUSSCGKSA-N 1 0 273.384 2.232 40 0 CEABRO Nc1nccnc1C[C@H]1CCC[N@H+](CCC(F)(F)F)C1 ZINC000257341418 190037440 /nfs/dbraw/zinc/03/74/40/190037440.db2.gz ZKEZVWAKJDAUJU-SNVBAGLBSA-N 1 0 288.317 2.266 40 0 CEABRO CC(C)n1nccc1C[N@@H+]1CC[C@H](c2cc[nH]n2)C1 ZINC000257309926 190032130 /nfs/dbraw/zinc/03/21/30/190032130.db2.gz UCXWGLNYYFUCHC-LBPRGKRZSA-N 1 0 259.357 2.177 40 0 CEABRO COc1ccc([C@@H]2C[NH2+]CCN2Cc2cc(C)on2)cc1 ZINC000257328919 190034816 /nfs/dbraw/zinc/03/48/16/190034816.db2.gz XHPRBYXGFFJRFX-INIZCTEOSA-N 1 0 287.363 2.138 40 0 CEABRO c1c[nH]c(C[N@H+]2CCC[C@@H]2CCc2ccncc2)n1 ZINC000257326754 190035178 /nfs/dbraw/zinc/03/51/78/190035178.db2.gz WYLVITFBMABDTI-CQSZACIVSA-N 1 0 256.353 2.402 40 0 CEABRO O=C(NC[C@]1(F)CCCC[NH2+]C1)OCc1ccccc1 ZINC000261506698 190039898 /nfs/dbraw/zinc/03/98/98/190039898.db2.gz ADWFTSJXLGLNML-HNNXBMFYSA-N 1 0 280.343 2.395 40 0 CEABRO Fc1cccc(N[C@H]2CO[C@]3(C2)CCC[NH2+]C3)c1 ZINC000306134026 376541265 /nfs/dbraw/zinc/54/12/65/376541265.db2.gz NCCDOUVKXMSRLE-KGLIPLIRSA-N 1 0 250.317 2.149 40 0 CEABRO C[C@@H]([NH2+]C[C@H](O)CC1CCCC1)c1cnn(C)c1 ZINC000332306078 377563829 /nfs/dbraw/zinc/56/38/29/377563829.db2.gz JLIHSZZEZPONLG-BXUZGUMPSA-N 1 0 251.374 2.012 40 0 CEABRO Cc1nc(COC[C@@H]2CCC[C@@]23C[NH2+]CCO3)cs1 ZINC000503723256 379071192 /nfs/dbraw/zinc/07/11/92/379071192.db2.gz NTPRQGJZDGNRAN-GXTWGEPZSA-N 1 0 282.409 2.127 40 0 CEABRO C[C@H]1C[NH2+]CCN1C(=O)c1ccccc1C(F)(F)F ZINC000054370283 394560061 /nfs/dbraw/zinc/56/00/61/394560061.db2.gz KWQOYIQRGZBDAQ-VIFPVBQESA-N 1 0 272.270 2.139 40 0 CEABRO Cc1ccc([C@@H]2[C@H]([NH3+])[C@H]2S(=O)(=O)c2ccccc2)cc1 ZINC000252515591 394572082 /nfs/dbraw/zinc/57/20/82/394572082.db2.gz MBUUNKJRMFXISU-PMPSAXMXSA-N 1 0 287.384 2.262 40 0 CEABRO CC(C)[N@H+](C)C[C@H]1C[C@@H]2CN(Cc3nccs3)C[C@@H]2O1 ZINC000096100361 394677034 /nfs/dbraw/zinc/67/70/34/394677034.db2.gz CQEPVOZBKYVDFX-MCIONIFRSA-N 1 0 295.452 2.073 40 0 CEABRO O=C(Oc1ccccc1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000096157162 394677282 /nfs/dbraw/zinc/67/72/82/394677282.db2.gz CJMWUNKZYOMPJF-HNNXBMFYSA-N 1 0 260.337 2.261 40 0 CEABRO CC(C)[NH2+]C[C@H]1Cn2cc(-c3ccccc3)nc2CO1 ZINC000096269378 394679120 /nfs/dbraw/zinc/67/91/20/394679120.db2.gz RFOAFCNAPQATMG-AWEZNQCLSA-N 1 0 271.364 2.447 40 0 biogenic,in-vitro CEABRO Cc1cc(N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)ncn1 ZINC000359893613 155160623 /nfs/dbraw/zinc/16/06/23/155160623.db2.gz BBFNVPBISXVUNP-CALCHBBNSA-N 1 0 294.402 2.353 40 0 CEABRO Cc1ccc2c(c1)c(=O)cc(C(F)(F)F)n2CC[NH3+] ZINC000019219918 170755047 /nfs/dbraw/zinc/75/50/47/170755047.db2.gz UTXBWJJTMWGBPA-UHFFFAOYSA-N 1 0 270.254 2.287 40 0 CEABRO COc1ccc(CC(=O)NCCC[NH+]2CCCCC2)cc1 ZINC000020456263 171207917 /nfs/dbraw/zinc/20/79/17/171207917.db2.gz XIPWJKCVZXAJTE-UHFFFAOYSA-N 1 0 290.407 2.230 40 0 CEABRO CCC[C@@H]1C[NH2+]CCN1C(=O)OCc1ccccc1 ZINC000039952232 174176931 /nfs/dbraw/zinc/17/69/31/174176931.db2.gz VIKGAFRHDILOHV-CQSZACIVSA-N 1 0 262.353 2.397 40 0 CEABRO CC1(C)[C@H](Cc2cc(CCO)on2)C[C@@H]1[NH2+]CC1CC1 ZINC000067890199 175799956 /nfs/dbraw/zinc/79/99/56/175799956.db2.gz BCHZLXNFXKXRAW-DOMZBBRYSA-N 1 0 278.396 2.166 40 0 biogenic,in-vitro CEABRO C[N@@H+]1CCC[C@H]1CCc1cnc(Br)cn1 ZINC000072363348 176377550 /nfs/dbraw/zinc/37/75/50/176377550.db2.gz UWTUBLPALRKEQQ-JTQLQIEISA-N 1 0 270.174 2.266 40 0 CEABRO C[NH+]1CCC(c2nccnc2Nc2nccs2)CC1 ZINC000072364727 176379327 /nfs/dbraw/zinc/37/93/27/176379327.db2.gz ZQCFAJWWTOQYHV-UHFFFAOYSA-N 1 0 275.381 2.486 40 0 CEABRO O=C1NCCCC12CC[NH+](Cc1cccc(F)c1F)CC2 ZINC000072393748 176394410 /nfs/dbraw/zinc/39/44/10/176394410.db2.gz OLNSVXKRHODBSL-UHFFFAOYSA-N 1 0 294.345 2.457 40 0 CEABRO c1cnc2c(n[nH]c2[C@@H]2CCC[N@@H+](C3CCCC3)C2)n1 ZINC000072395870 176394468 /nfs/dbraw/zinc/39/44/68/176394468.db2.gz BLJONTVNWDEAGF-LLVKDONJSA-N 1 0 271.368 2.475 40 0 CEABRO C[N@@H+]1CCc2nc(NCc3ccccc3)ncc2C1 ZINC000072415043 176399793 /nfs/dbraw/zinc/39/97/93/176399793.db2.gz BETDOHQZWRLVMD-UHFFFAOYSA-N 1 0 254.337 2.077 40 0 CEABRO CCN(Cc1ccc(Cl)cc1Cl)C(=O)C[NH3+] ZINC000076671722 177053582 /nfs/dbraw/zinc/05/35/82/177053582.db2.gz VCCRLKULYYKFMK-UHFFFAOYSA-N 1 0 261.152 2.301 40 0 CEABRO Nc1ncc(C[NH2+]C23CC4CC(CC(C4)C2)C3)cn1 ZINC000062717348 262298875 /nfs/dbraw/zinc/29/88/75/262298875.db2.gz MWNJFRDXSJLZNK-UHFFFAOYSA-N 1 0 258.369 2.117 40 0 CEABRO O=C1N(CC2CC2)[C@H](c2ccccc2)C12CC[NH2+]CC2 ZINC000096244750 265346027 /nfs/dbraw/zinc/34/60/27/265346027.db2.gz JHZYOMJQDBSDGU-OAHLLOKOSA-N 1 0 270.376 2.350 40 0 CEABRO CNC(=O)C[C@@H]1CC2(CC[NH2+]CC2)c2cc(F)ccc21 ZINC000096241813 265346183 /nfs/dbraw/zinc/34/61/83/265346183.db2.gz VGGQDDIHNLZUCN-LLVKDONJSA-N 1 0 276.355 2.070 40 0 CEABRO CC[C@@]1(C)NC(=[NH2+])Nc2nc3cc(C)c(C)cc3n21 ZINC000002030136 273739233 /nfs/dbraw/zinc/73/92/33/273739233.db2.gz BFNBLCZGDVKVHS-AWEZNQCLSA-N 1 0 257.341 2.285 40 0 CEABRO CN1CC[N@@H+](C2CCOCC2)C[C@H]1c1ccccc1 ZINC000257268219 277104137 /nfs/dbraw/zinc/10/41/37/277104137.db2.gz MKSPTYXCZQVDMR-INIZCTEOSA-N 1 0 260.381 2.154 40 0 CEABRO COC[C@@H]1C[N@H+](CC2CC2)Cc2ncn(CC3CC3)c21 ZINC000096060290 277254126 /nfs/dbraw/zinc/25/41/26/277254126.db2.gz DJIZTOGMZVXEDV-AWEZNQCLSA-N 1 0 275.396 2.249 40 0 CEABRO COC(=O)[C@@H]1C[C@@H]2Cc3c4ccccc4[nH]c3C[N@@H+]2C1 ZINC000095828945 277369106 /nfs/dbraw/zinc/36/91/06/277369106.db2.gz OVDBJAVMIFIMFA-GHMZBOCLSA-N 1 0 270.332 2.088 40 0 CEABRO CC(C)(C)OC(=O)N(C[C@@H]1CCCCN1CC[NH3+])C1CC1 ZINC000079408622 278377738 /nfs/dbraw/zinc/37/77/38/278377738.db2.gz LPRMAENLINKOFU-AWEZNQCLSA-N 1 0 297.443 2.199 40 0 CEABRO O=C1CC[C@H]2[C@H](CC[N@@H+]2[C@H]2CCOC2)N1c1ccccc1 ZINC000096186447 280261666 /nfs/dbraw/zinc/26/16/66/280261666.db2.gz TYHFUJUVUHHYOE-JYJNAYRXSA-N 1 0 286.375 2.045 40 0 CEABRO COc1ccc([C@]23CCC(=O)N2[C@H]2CCCC[C@@H]2[NH2+]3)cc1 ZINC000059605625 295253028 /nfs/dbraw/zinc/25/30/28/295253028.db2.gz ZCQCHXXNRLTQGO-ZOBUZTSGSA-N 1 0 286.375 2.385 40 0 CEABRO COC(=O)CC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000052710543 523075391 /nfs/dbraw/zinc/07/53/91/523075391.db2.gz WHFHJKVVARDSJJ-UHFFFAOYSA-N 1 0 282.771 2.025 40 0 CEABRO CC[N@H+]1C[C@@H](N(C)Cc2ccco2)[C@H]2OCCC[C@H]2C1 ZINC000096040676 185069257 /nfs/dbraw/zinc/06/92/57/185069257.db2.gz CPXYMVKVSJLIQR-IMJJTQAJSA-N 1 0 278.396 2.211 40 0 CEABRO Cc1ccc(C[NH+]2CCC3(CCNC3=O)CC2)s1 ZINC000096046691 185071676 /nfs/dbraw/zinc/07/16/76/185071676.db2.gz SLCGOJPRHMRQQZ-UHFFFAOYSA-N 1 0 264.394 2.159 40 0 CEABRO O=C1CC[C@@]2(CCC[N@@H+](Cc3ccc(F)cc3)CC2)N1 ZINC000096047452 185072922 /nfs/dbraw/zinc/07/29/22/185072922.db2.gz UQIAJWMACFJVBU-MRXNPFEDSA-N 1 0 276.355 2.460 40 0 CEABRO c1coc(C[NH+]2C[C@@H]3CN(Cc4cccnc4)C[C@H]3C2)c1 ZINC000096053721 185074963 /nfs/dbraw/zinc/07/49/63/185074963.db2.gz BYTKRPZSTBUPQP-HOTGVXAUSA-N 1 0 283.375 2.238 40 0 CEABRO COC[C@H]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2ccc(C)o2)O1 ZINC000096056378 185077101 /nfs/dbraw/zinc/07/71/01/185077101.db2.gz CPQYEYCRSDJMBQ-RBSFLKMASA-N 1 0 265.353 2.356 40 0 CEABRO CC(C)Oc1ncnc2c1CC[N@H+](Cc1ccco1)CC2 ZINC000096058777 185078986 /nfs/dbraw/zinc/07/89/86/185078986.db2.gz RGZCFPIEPZJCPH-UHFFFAOYSA-N 1 0 287.363 2.458 40 0 CEABRO Cc1cncc(COCc2cnc3n2CC[N@@H+](C)[C@H]3C)c1 ZINC000096109909 185099538 /nfs/dbraw/zinc/09/95/38/185099538.db2.gz ULZRUHXYFWYJJJ-ZDUSSCGKSA-N 1 0 286.379 2.310 40 0 CEABRO CC(C)[C@H]([NH3+])C(=O)N(C)Cc1ccccc1Cl ZINC000037798645 361941584 /nfs/dbraw/zinc/94/15/84/361941584.db2.gz MTVPLCOXNLDOSE-LBPRGKRZSA-N 1 0 254.761 2.282 40 0 CEABRO O=C1O[C@]2(CC[NH2+]C2)CN1c1cccc(Cl)c1 ZINC000205706119 539185039 /nfs/dbraw/zinc/18/50/39/539185039.db2.gz GWWCCNWRQLMDPS-LBPRGKRZSA-N 1 0 252.701 2.029 40 0 CEABRO CC(C)(C)OC(=O)N1C[C@@H](C(F)(F)F)[C@](C)([NH3+])C1 ZINC000199768311 539185354 /nfs/dbraw/zinc/18/53/54/539185354.db2.gz GPPSLMHYVAPNFI-GMSGAONNSA-N 1 0 268.279 2.133 40 0 CEABRO Cn1nc(C2CCCC2)cc1[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2CO ZINC000008635313 343362920 /nfs/dbraw/zinc/36/29/20/343362920.db2.gz CBZIFLPQVPNAQM-ZNMIVQPWSA-N 1 0 289.423 2.248 40 0 biogenic,in-vitro CEABRO Cc1ccc(CN2CC[C@@H]3[C@@H]2CC[N@@H+]3C[C@@H]2CCOC2)o1 ZINC000096184701 344238924 /nfs/dbraw/zinc/23/89/24/344238924.db2.gz RDGLFDMMYMMNSZ-UAGQMJEPSA-N 1 0 290.407 2.273 40 0 CEABRO [NH3+][C@H]1CC[C@H](Oc2ccc(Br)cn2)CC1 ZINC000299892164 344697518 /nfs/dbraw/zinc/69/75/18/344697518.db2.gz PNSRTVQVIJKVEL-MGCOHNPYSA-N 1 0 271.158 2.493 40 0 CEABRO Cc1cncc(C[N@@H+]2CCC[C@@]3(CCC(=O)O3)C2)c1 ZINC000585283459 345009717 /nfs/dbraw/zinc/00/97/17/345009717.db2.gz OMCFLNJKXHQWGN-OAHLLOKOSA-N 1 0 260.337 2.062 40 0 CEABRO C[NH2+][C@H]1CCC[C@@H](Oc2cccc(Cl)c2)[C@@H]1O ZINC000585289137 345010475 /nfs/dbraw/zinc/01/04/75/345010475.db2.gz MUNCPYMABYSKFV-YNEHKIRRSA-N 1 0 255.745 2.220 40 0 CEABRO C[NH2+]Cc1cc(OC)c(SCCF)cc1OC ZINC000085390911 179048136 /nfs/dbraw/zinc/04/81/36/179048136.db2.gz GSQNPELRERADHD-UHFFFAOYSA-N 1 0 259.346 2.485 40 0 CEABRO COc1ccccc1C[N@@H+]1CC[C@]2(CCN(C(C)=O)C2)C1 ZINC000063527619 362768367 /nfs/dbraw/zinc/76/83/67/362768367.db2.gz OOVFTNZHNZQELC-KRWDZBQOSA-N 1 0 288.391 2.140 40 0 CEABRO O=C(OCc1ccccc1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000091297074 180124807 /nfs/dbraw/zinc/12/48/07/180124807.db2.gz HNPMBBZXQQFXNW-MRXNPFEDSA-N 1 0 274.364 2.399 40 0 CEABRO C[NH+]1CCC(c2cnc(N3C(=O)OCC3(C)C)cn2)CC1 ZINC000257250085 282723035 /nfs/dbraw/zinc/72/30/35/282723035.db2.gz JKZAEMMQHYXXEN-UHFFFAOYSA-N 1 0 290.367 2.021 40 0 CEABRO CC[C@@H](C)Nc1nc(NCc2ccccn2)cc(C2CC2)[nH+]1 ZINC000328959334 202131307 /nfs/dbraw/zinc/13/13/07/202131307.db2.gz ATEWELHBZOAZDQ-GFCCVEGCSA-N 1 0 297.406 2.415 40 0 CEABRO CC[NH+](CC)CCNc1cc(OC)cc2nccnc21 ZINC000001593219 538736214 /nfs/dbraw/zinc/73/62/14/538736214.db2.gz JECMEODLNFUQLB-UHFFFAOYSA-N 1 0 274.368 2.392 40 0 CEABRO CC[C@H]1C[NH2+]CC2(CCN(C(=O)OC(C)(C)C)CC2)O1 ZINC000203815040 540295144 /nfs/dbraw/zinc/29/51/44/540295144.db2.gz NPZTVFQGUQUOKX-LBPRGKRZSA-N 1 0 284.400 2.155 40 0 CEABRO CC(C)N(C[C@@H]1CCCN(CC[NH3+])C1)C(=O)OC(C)(C)C ZINC000079408551 363596713 /nfs/dbraw/zinc/59/67/13/363596713.db2.gz JJNQSNCXQVERIK-CQSZACIVSA-N 1 0 299.459 2.303 40 0 CEABRO CC(C)N(Cc1ccc(Cl)cc1)C(=O)[C@H](C)[NH3+] ZINC000079420322 363598549 /nfs/dbraw/zinc/59/85/49/363598549.db2.gz KDZLHMIEYCTQEH-JTQLQIEISA-N 1 0 254.761 2.424 40 0 CEABRO C[C@@H]([NH2+]CCc1ccc(O)cc1)[C@H](O)c1ccc(O)cc1 ZINC000000057481 361122529 /nfs/dbraw/zinc/12/25/29/361122529.db2.gz IOVGROKTTNBUGK-PXAZEXFGSA-N 1 0 287.359 2.352 40 0 in-man CEABRO Nc1ccc(C(=O)OCCC[NH+]2CCCCC2)cc1 ZINC000001583171 361210063 /nfs/dbraw/zinc/21/00/63/361210063.db2.gz MSCPGCHVXHFZFM-UHFFFAOYSA-N 1 0 262.353 2.302 40 0 CEABRO OCC[NH+](CCO)C1c2ccccc2-c2ccccc21 ZINC000001602451 361210800 /nfs/dbraw/zinc/21/08/00/361210800.db2.gz GMXHQOYORGJCHS-UHFFFAOYSA-N 1 0 269.344 2.043 40 0 CEABRO CCC[NH2+]CCOC(=O)c1ccc(OCCC)c(N)c1 ZINC000001661069 361215349 /nfs/dbraw/zinc/21/53/49/361215349.db2.gz MJTGRNREMNVTGY-UHFFFAOYSA-N 1 0 280.368 2.214 40 0 CEABRO CCC(CC)[NH2+]CCOC(=O)c1ccc(N)cc1 ZINC000001710443 361218231 /nfs/dbraw/zinc/21/82/31/361218231.db2.gz UCIRZJFASJKDTI-UHFFFAOYSA-N 1 0 250.342 2.204 40 0 CEABRO CC(=O)O[C@H]1CC[N@@H+](Cc2ccco2)[C@@H](C)[C@@H]1C ZINC000004127442 361301145 /nfs/dbraw/zinc/30/11/45/361301145.db2.gz HAVUOHMCCLLASZ-MJVIPROJSA-N 1 0 251.326 2.442 40 0 CEABRO CC(C)(C)OC(=O)NCCC[C@@H]([NH3+])c1ccccn1 ZINC000012357264 361379538 /nfs/dbraw/zinc/37/95/38/361379538.db2.gz NIWBFVHKDGAWMI-LLVKDONJSA-N 1 0 265.357 2.386 40 0 CEABRO [NH3+]CCN[C@H](c1ccccc1)[C@@H](O)c1ccccc1 ZINC000019367690 361528499 /nfs/dbraw/zinc/52/84/99/361528499.db2.gz KSABEOZTQSQRBQ-CVEARBPZSA-N 1 0 256.349 2.010 40 0 CEABRO COC(=O)c1ccc(CN2C[C@H]3CCC[N@@H+]3C[C@H]2C)cc1 ZINC000019575106 361543984 /nfs/dbraw/zinc/54/39/84/361543984.db2.gz XIPUQLOHVWTLQE-CZUORRHYSA-N 1 0 288.391 2.142 40 0 CEABRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc2c(c1)CCO2 ZINC000019575766 361544092 /nfs/dbraw/zinc/54/40/92/361544092.db2.gz PKDZNVJCOUGVNA-BBRMVZONSA-N 1 0 272.392 2.290 40 0 CEABRO C[NH+](C)Cc1[nH]nc(N)c1-c1cccc(Cl)c1 ZINC000026511507 361642636 /nfs/dbraw/zinc/64/26/36/361642636.db2.gz PRLVGWKCIPYVES-UHFFFAOYSA-N 1 0 250.733 2.374 40 0 CEABRO NC(=[NH2+])SCc1nc(-c2ccccc2F)no1 ZINC000089262050 363952283 /nfs/dbraw/zinc/95/22/83/363952283.db2.gz HRJCYSMEDVDBRW-UHFFFAOYSA-N 1 0 252.274 2.002 40 0 CEABRO CCc1ccc(C[NH2+][C@H]2CCc3[nH]c(=O)ccc3C2)o1 ZINC000096189599 364407521 /nfs/dbraw/zinc/40/75/21/364407521.db2.gz WGKRDSKNGUUZGA-LBPRGKRZSA-N 1 0 272.348 2.177 40 0 CEABRO C[N@@H+]1CCC[C@@]2(CCN(c3ccsc3)C2=O)C1 ZINC000096074057 364399963 /nfs/dbraw/zinc/39/99/63/364399963.db2.gz VLECHKLEELVGDZ-CYBMUJFWSA-N 1 0 250.367 2.197 40 0 CEABRO O=C1Nc2ccccc2O[C@H]2C[C@@H]1[N@@H+](C1CCCC1)C2 ZINC000096111766 364400558 /nfs/dbraw/zinc/40/05/58/364400558.db2.gz FVXZRXFNUZZAQF-JSGCOSHPSA-N 1 0 272.348 2.403 40 0 biogenic,in-vitro CEABRO O[C@@H]1CC[N@H+](Cc2ccco2)[C@H]1Cc1ccccc1 ZINC000096200001 364409034 /nfs/dbraw/zinc/40/90/34/364409034.db2.gz YQWFUKSGKBQPCS-JKSUJKDBSA-N 1 0 257.333 2.458 40 0 CEABRO Cc1ccc(C[N@H+]2CCc3ccc(=O)[nH]c3CC2)cc1 ZINC000096196629 364408629 /nfs/dbraw/zinc/40/86/29/364408629.db2.gz OUYIYRXYZGOOPX-UHFFFAOYSA-N 1 0 268.360 2.284 40 0 CEABRO COc1ccc(C[NH+]2CCC3(C[C@H](OC)CO3)CC2)cc1 ZINC000096158771 364402490 /nfs/dbraw/zinc/40/24/90/364402490.db2.gz HQMKVCBVJCZRBN-INIZCTEOSA-N 1 0 291.391 2.465 40 0 CEABRO CCO[C@@H]1COC2(C1)CC[NH+](Cc1c(C)noc1C)CC2 ZINC000096158720 364402506 /nfs/dbraw/zinc/40/25/06/364402506.db2.gz BXJSUELUQNXEBZ-AWEZNQCLSA-N 1 0 294.395 2.451 40 0 CEABRO Cc1ccc(C[NH+]2CCC3(CCNC3=O)CC2)cc1 ZINC000096157704 364402625 /nfs/dbraw/zinc/40/26/25/364402625.db2.gz YAKUCZUUEWSADC-UHFFFAOYSA-N 1 0 258.365 2.097 40 0 CEABRO Cc1ccc(C[NH+]2CCC3(CN(C)C3=O)CC2)cc1C ZINC000096202811 364410333 /nfs/dbraw/zinc/41/03/33/364410333.db2.gz BMWFUXRPIDFCKK-UHFFFAOYSA-N 1 0 272.392 2.358 40 0 CEABRO C[N@@H+]1CC[C@@]2(C1)CCC[C@H](CNC(=O)c1ccccc1)O2 ZINC000096208426 364411487 /nfs/dbraw/zinc/41/14/87/364411487.db2.gz DNJQBMXPRMQFSS-NVXWUHKLSA-N 1 0 288.391 2.060 40 0 CEABRO c1nnc(N2CC[C@@]3(C2)CCC[N@@H+](CC2CC2)C3)s1 ZINC000096215563 364412584 /nfs/dbraw/zinc/41/25/84/364412584.db2.gz FMZJNCFJOHXMPB-AWEZNQCLSA-N 1 0 278.425 2.240 40 0 CEABRO CCC[NH+]1CCC2(C[C@H](Oc3cccnc3)CO2)CC1 ZINC000096221746 364414411 /nfs/dbraw/zinc/41/44/11/364414411.db2.gz NJEVATBSVAVVMK-HNNXBMFYSA-N 1 0 276.380 2.494 40 0 CEABRO C[N@@H+]1CC[C@]2(c3ccccc3)CCN(C(=O)C3CC3)C[C@H]12 ZINC000096251821 364415785 /nfs/dbraw/zinc/41/57/85/364415785.db2.gz KHUQSPQHMNEIHO-FUHWJXTLSA-N 1 0 284.403 2.271 40 0 CEABRO COC1C[C@@H]2COC[C@H](C1)[N@@H+]2Cc1cccc(C)c1 ZINC000096252500 364416139 /nfs/dbraw/zinc/41/61/39/364416139.db2.gz SQBSGBYQSGMXDQ-XYPWUTKMSA-N 1 0 261.365 2.373 40 0 CEABRO Cc1nc(-c2ccccc2)nc2c1COC[C@@]21CC[NH2+]C1 ZINC000096244669 364417045 /nfs/dbraw/zinc/41/70/45/364417045.db2.gz HVURZGKTGGJKHI-KRWDZBQOSA-N 1 0 281.359 2.213 40 0 CEABRO O=C1[C@H]2C[N@H+](CC3CC3)C[C@H]2CN1c1ccsc1 ZINC000096245212 364417191 /nfs/dbraw/zinc/41/71/91/364417191.db2.gz MMKJKQIPWGEDDE-AAEUAGOBSA-N 1 0 262.378 2.053 40 0 CEABRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@@H]2CCCC[C@@H]2CO)C1 ZINC000096493585 364425156 /nfs/dbraw/zinc/42/51/56/364425156.db2.gz MUEWQJAZGFQGEO-MGPQQGTHSA-N 1 0 298.427 2.137 40 0 CEABRO O=C(c1ccco1)N1CC[NH+](C[C@@H]2C[C@H]3C=C[C@@H]2C3)CC1 ZINC000169295108 367367916 /nfs/dbraw/zinc/36/79/16/367367916.db2.gz BIQFBGWFOQLVAP-ZNMIVQPWSA-N 1 0 286.375 2.250 40 0 CEABRO CC(=O)[C@@](C)(O)C[NH+]1CCC(Nc2cccc(C)c2)CC1 ZINC000330861218 203324759 /nfs/dbraw/zinc/32/47/59/203324759.db2.gz PUZBEJZNTXXMQU-KRWDZBQOSA-N 1 0 290.407 2.211 40 0 CEABRO C(O[C@@H]1[C@H]2CC[C@@H]1[N@H+](CC1CC1)CCO2)C1CC1 ZINC000247978653 371152497 /nfs/dbraw/zinc/15/24/97/371152497.db2.gz WXHHRBMHULUJSW-ZNMIVQPWSA-N 1 0 251.370 2.055 40 0 CEABRO CC(=O)N1CCN(c2ccnc(C)n2)C[C@H]1c1ccccc1 ZINC000257290029 371611026 /nfs/dbraw/zinc/61/10/26/371611026.db2.gz QBFYPSPJBVIMFL-INIZCTEOSA-N 1 0 296.374 2.195 40 0 CEABRO Cc1cc(N2CC[N@@H+](C)[C@@H](c3ccccc3)C2)ncn1 ZINC000257217077 371611657 /nfs/dbraw/zinc/61/16/57/371611657.db2.gz CXHHMRUFGVVSGO-OAHLLOKOSA-N 1 0 268.364 2.278 40 0 CEABRO CC(=O)N1CCN(c2ccnc(C)n2)[C@@H](c2ccccc2)C1 ZINC000257337834 371612720 /nfs/dbraw/zinc/61/27/20/371612720.db2.gz YUPHALPQDYZRQC-MRXNPFEDSA-N 1 0 296.374 2.195 40 0 CEABRO Cc1cccc(N2CCC[C@@H]([N@H+](C)Cc3cnc[nH]3)C2)n1 ZINC000257328541 371613564 /nfs/dbraw/zinc/61/35/64/371613564.db2.gz XGCSEJOMVWWDTF-OAHLLOKOSA-N 1 0 285.395 2.214 40 0 CEABRO NC(=O)[C@]1(Cc2ccc(-c3ccccc3)cc2)CC[NH2+]C1 ZINC000257197965 190010336 /nfs/dbraw/zinc/01/03/36/190010336.db2.gz OUKRRZVGRMVXLA-SFHVURJKSA-N 1 0 280.371 2.361 40 0 CEABRO c1ccc(C[C@@H]2COCC[N@H+](Cc3ccccn3)C2)nc1 ZINC000257208340 190012359 /nfs/dbraw/zinc/01/23/59/190012359.db2.gz BLTHNOQMDMAQSP-HNNXBMFYSA-N 1 0 283.375 2.168 40 0 CEABRO CCn1cc(-c2cncc(C3CC[NH+](C)CC3)n2)cn1 ZINC000257208744 190012541 /nfs/dbraw/zinc/01/25/41/190012541.db2.gz BNLUEKWLGZZXHX-UHFFFAOYSA-N 1 0 271.368 2.169 40 0 CEABRO CN(C(=O)c1cc([C@H]2CCC[N@@H+]2C)ccn1)C1CCC1 ZINC000257212726 190013010 /nfs/dbraw/zinc/01/30/10/190013010.db2.gz CERLADNWEUDAIJ-OAHLLOKOSA-N 1 0 273.380 2.473 40 0 CEABRO c1ccc(CC[N@@H+]2CCOC[C@@H](Cc3ncccn3)C2)cc1 ZINC000257230186 190016134 /nfs/dbraw/zinc/01/61/34/190016134.db2.gz GBFIMVOBWJOLCP-KRWDZBQOSA-N 1 0 297.402 2.210 40 0 CEABRO CCn1cc(C[N@@H+]2CCC[C@H](Cc3n[nH]cc3C)C2)cn1 ZINC000257242983 190018246 /nfs/dbraw/zinc/01/82/46/190018246.db2.gz IFBLANPSVXYIEP-CQSZACIVSA-N 1 0 287.411 2.389 40 0 CEABRO CC(C)n1cc(-c2cnc(CC3CC[NH2+]CC3)cn2)cn1 ZINC000257276924 190025301 /nfs/dbraw/zinc/02/53/01/190025301.db2.gz NVRTWCUBZZFLME-UHFFFAOYSA-N 1 0 285.395 2.463 40 0 CEABRO Cc1nccn1-c1cc(C)nc(C2CC[NH2+]CC2)c1 ZINC000257281839 190025935 /nfs/dbraw/zinc/02/59/35/190025935.db2.gz ORFCRLONXUUPOS-UHFFFAOYSA-N 1 0 256.353 2.351 40 0 CEABRO CC1(c2ncc(Cl)s2)CCN(C(=O)CC[NH3+])CC1 ZINC000257309562 190031344 /nfs/dbraw/zinc/03/13/44/190031344.db2.gz UBKNHCPRGFIISI-UHFFFAOYSA-N 1 0 287.816 2.025 40 0 CEABRO O=C(NC[C@@]1(F)CCC[NH2+]CC1)OCc1ccccc1 ZINC000261507586 190040340 /nfs/dbraw/zinc/04/03/40/190040340.db2.gz KBGLOTMPPACZHP-OAHLLOKOSA-N 1 0 280.343 2.395 40 0 CEABRO [NH3+]Cc1ccc(CC(=O)OCc2ccccc2)cc1 ZINC000261507595 190040365 /nfs/dbraw/zinc/04/03/65/190040365.db2.gz KCDYAMNKSPGGDH-UHFFFAOYSA-N 1 0 255.317 2.431 40 0 CEABRO Cc1cccc(COC[C@]23CCCO[C@@H]2CC[NH2+]C3)n1 ZINC000306123903 376539667 /nfs/dbraw/zinc/53/96/67/376539667.db2.gz BACGSRYHTFYRJK-HZPDHXFCSA-N 1 0 276.380 2.065 40 0 CEABRO OCC[C@H]1C[NH2+]Cc2ccc(Br)cc21 ZINC000095868229 285267209 /nfs/dbraw/zinc/26/72/09/285267209.db2.gz MTEXGWZWBPJLGY-VIFPVBQESA-N 1 0 256.143 2.018 40 0 CEABRO COc1cccc(C=O)c1OCCCC[NH+](C)C ZINC000217792061 533443222 /nfs/dbraw/zinc/44/32/22/533443222.db2.gz ZRYIWMOAJPTLCF-UHFFFAOYSA-N 1 0 251.326 2.228 40 0 CEABRO c1cnc2c(c1)nc1n2[C@@H](C[NH2+]C2CCCCC2)COC1 ZINC000096112789 285551441 /nfs/dbraw/zinc/55/14/41/285551441.db2.gz OZWPQFDHNZLMRR-ZDUSSCGKSA-N 1 0 286.379 2.425 40 0 biogenic,in-vitro CEABRO COc1ccc(CCC(=O)NCCC[NH+](C)C)cc1C ZINC000224750032 394467292 /nfs/dbraw/zinc/46/72/92/394467292.db2.gz FAPWYNIVBJFPQH-UHFFFAOYSA-N 1 0 278.396 2.004 40 0 CEABRO Cc1ccc(NC(=O)[C@H]2C[N@@H+](C)Cc3cn(C)nc32)c(C)c1 ZINC000019701311 394469513 /nfs/dbraw/zinc/46/95/13/394469513.db2.gz KPUJCUJVBAJJHE-AWEZNQCLSA-N 1 0 298.390 2.205 40 0 CEABRO C[C@H]1C[NH2+]CCN1Cc1ccc(Br)cc1 ZINC000054374311 394559983 /nfs/dbraw/zinc/55/99/83/394559983.db2.gz BLPIJNKAIOGIRA-JTQLQIEISA-N 1 0 269.186 2.243 40 0 CEABRO [NH3+][C@@H]1[C@@H](c2cccc(F)c2)[C@H]1S(=O)(=O)c1ccccc1 ZINC000252516094 394572105 /nfs/dbraw/zinc/57/21/05/394572105.db2.gz QBHRHUYTHPDMPB-RBSFLKMASA-N 1 0 291.347 2.093 40 0 CEABRO [NH3+][C@H]1[C@H](S(=O)(=O)c2ccccc2)[C@H]1c1cccc(F)c1 ZINC000252516095 394572179 /nfs/dbraw/zinc/57/21/79/394572179.db2.gz QBHRHUYTHPDMPB-RRFJBIMHSA-N 1 0 291.347 2.093 40 0 CEABRO CC(C)(C)c1cc2ncc3c(n2n1)C[C@@H]1CC[C@H]3[NH2+]1 ZINC000072398073 394598166 /nfs/dbraw/zinc/59/81/66/394598166.db2.gz QQOZZHZDHNOWHK-GXSJLCMTSA-N 1 0 256.353 2.376 40 0 CEABRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc2nccnc2c1 ZINC000072397553 394598213 /nfs/dbraw/zinc/59/82/13/394598213.db2.gz DGNKJJSYRULZBU-HIFRSBDPSA-N 1 0 282.391 2.298 40 0 CEABRO Cc1c(-c2noc(CC[NH3+])n2)c2ccccc2n1C ZINC000082566442 394641092 /nfs/dbraw/zinc/64/10/92/394641092.db2.gz RCKCJHXKVBUAGD-UHFFFAOYSA-N 1 0 256.309 2.038 40 0 CEABRO Fc1ccccc1N[C@H]1COC2(C1)CC[NH2+]CC2 ZINC000096157183 394677061 /nfs/dbraw/zinc/67/70/61/394677061.db2.gz QWXCWYYYGLUEKG-LLVKDONJSA-N 1 0 250.317 2.149 40 0 CEABRO CC[C@@H]([C@H]([NH3+])c1ccc(Cl)cc1)S(C)(=O)=O ZINC000096524875 394697533 /nfs/dbraw/zinc/69/75/33/394697533.db2.gz BWOXVNSBUYJWPU-WDEREUQCSA-N 1 0 261.774 2.163 40 0 CEABRO C[C@@](F)(C[NH3+])c1ccc(I)cc1 ZINC000201652444 400298774 /nfs/dbraw/zinc/29/87/74/400298774.db2.gz XDIKWYATCBJREJ-SECBINFHSA-N 1 0 279.096 2.435 40 0 CEABRO Cc1cc(N2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)ncn1 ZINC000359893615 155161923 /nfs/dbraw/zinc/16/19/23/155161923.db2.gz BBFNVPBISXVUNP-IRXDYDNUSA-N 1 0 294.402 2.353 40 0 CEABRO Nc1[nH+]c2ccccc2n1CC(=O)c1ccccc1 ZINC000005799787 170141529 /nfs/dbraw/zinc/14/15/29/170141529.db2.gz PJLGMFNGMNCBKO-UHFFFAOYSA-N 1 0 251.289 2.332 40 0 CEABRO COc1ccc(OC)c(-c2noc(C3CC[NH2+]CC3)n2)c1 ZINC000020268760 171124762 /nfs/dbraw/zinc/12/47/62/171124762.db2.gz MMBKPBRBIBBEEU-UHFFFAOYSA-N 1 0 289.335 2.221 40 0 CEABRO c1cn2c(CN3CC[NH2+]CC3)c(-c3ccccc3)nc2s1 ZINC000022465200 171388489 /nfs/dbraw/zinc/38/84/89/171388489.db2.gz ZNYYXMFUOHSGDX-UHFFFAOYSA-N 1 0 298.415 2.468 40 0 CEABRO CCCOc1ccc2nc(N3CC[NH2+]CC3)sc2c1 ZINC000072209858 176342753 /nfs/dbraw/zinc/34/27/53/176342753.db2.gz MZDAGQIYTXWCOS-UHFFFAOYSA-N 1 0 277.393 2.495 40 0 CEABRO OCc1cccc(-c2cc(CC[C@H]3CCC[NH2+]3)ncn2)c1 ZINC000072365252 176380325 /nfs/dbraw/zinc/38/03/25/176380325.db2.gz FETHYRUAVOCMDD-OAHLLOKOSA-N 1 0 283.375 2.321 40 0 CEABRO COc1ccc(OCCc2cc([C@H]3CC[NH2+]C3)[nH]n2)cc1 ZINC000072374096 176385384 /nfs/dbraw/zinc/38/53/84/176385384.db2.gz VODKTFDSFFEVAH-LBPRGKRZSA-N 1 0 287.363 2.117 40 0 CEABRO O=C(NCCC[NH+]1CCCCC1)NC1CCCCC1 ZINC000072790059 176429955 /nfs/dbraw/zinc/42/99/55/176429955.db2.gz SAJZKGOXYHHRLP-UHFFFAOYSA-N 1 0 267.417 2.494 40 0 CEABRO COC[C@@H](O)C[N@@H+]1C[C@@H](c2ccc(F)cc2)C[C@@H]1C ZINC000077177250 177230912 /nfs/dbraw/zinc/23/09/12/177230912.db2.gz ABCPPHYURVKKRG-WHOFXGATSA-N 1 0 267.344 2.011 40 0 CEABRO CC(C)Nc1ncc(C[NH2+]CCCOC(C)C)cn1 ZINC000062717644 262302340 /nfs/dbraw/zinc/30/23/40/262302340.db2.gz AGUWYYCOAODHHO-UHFFFAOYSA-N 1 0 266.389 2.202 40 0 CEABRO C[C@@H](O)C[NH2+]CCNCc1cccc(Cl)c1Cl ZINC000022074869 274273179 /nfs/dbraw/zinc/27/31/79/274273179.db2.gz PIISCOPCVPRSSA-SECBINFHSA-N 1 0 277.195 2.053 40 0 CEABRO CCOC(=O)c1sc([C@@H]2CCC[NH2+]C2)nc1C ZINC000088870275 263067437 /nfs/dbraw/zinc/06/74/37/263067437.db2.gz UBMDTLDIMDGREZ-SECBINFHSA-N 1 0 254.355 2.095 40 0 CEABRO C[C@@H](O)C[NH2+]CCNCc1c(Cl)cccc1Cl ZINC000022075246 274273497 /nfs/dbraw/zinc/27/34/97/274273497.db2.gz YNMHQZHQJAOJJV-SECBINFHSA-N 1 0 277.195 2.053 40 0 CEABRO Cc1cc(-c2cc(C)nc([C@@H]3CCCC[NH2+]3)n2)n[nH]1 ZINC000257271204 274671743 /nfs/dbraw/zinc/67/17/43/274671743.db2.gz MXHUWGNGIUKFNF-NSHDSACASA-N 1 0 257.341 2.298 40 0 CEABRO Clc1cc(N2CCC([NH+]3CCCC3)CC2)ncn1 ZINC000038579897 274880228 /nfs/dbraw/zinc/88/02/28/274880228.db2.gz QWFWQVKMOFTCHG-UHFFFAOYSA-N 1 0 266.776 2.195 40 0 CEABRO Brc1ccc2c(c1)OCC[C@@]21CC[NH2+]1 ZINC000306145719 275371802 /nfs/dbraw/zinc/37/18/02/275371802.db2.gz OMZUUWZFPLLOPI-NSHDSACASA-N 1 0 254.127 2.420 40 0 CEABRO CC(C)(C)OC(=O)N[C@H]([C@H]1CC[NH2+]C1)C(F)(F)F ZINC000089223421 277203870 /nfs/dbraw/zinc/20/38/70/277203870.db2.gz IKAZWGHCNUXXGK-JGVFFNPUSA-N 1 0 268.279 2.052 40 0 CEABRO Cc1cc(-c2cc([C@@H]3CCCC[NH2+]3)nc(C)n2)n[nH]1 ZINC000257316946 280284662 /nfs/dbraw/zinc/28/46/62/280284662.db2.gz VHRHEVCAAFDOOJ-NSHDSACASA-N 1 0 257.341 2.298 40 0 CEABRO CNc1nccnc1C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000257339694 327137099 /nfs/dbraw/zinc/13/70/99/327137099.db2.gz ZCUNGYXJYBIAJV-KGLIPLIRSA-N 1 0 290.411 2.001 40 0 CEABRO Cc1ccc(C[NH2+]CCNc2nc(C)cc(C)n2)o1 ZINC000062717890 333176130 /nfs/dbraw/zinc/17/61/30/333176130.db2.gz OUQDJGVQWSIHHC-UHFFFAOYSA-N 1 0 260.341 2.197 40 0 CEABRO COc1ccc(C[NH2+]Cc2cnc(N3CCCC3)nc2)cc1 ZINC000062717815 333176133 /nfs/dbraw/zinc/17/61/33/333176133.db2.gz DMEMDXZJIZBXAZ-UHFFFAOYSA-N 1 0 298.390 2.375 40 0 CEABRO COc1ccc(CCN2CC[NH2+][C@H]3CCCC[C@@H]32)cc1 ZINC000225712428 333182284 /nfs/dbraw/zinc/18/22/84/333182284.db2.gz JXGRNVWDZAPPFU-IRXDYDNUSA-N 1 0 274.408 2.454 40 0 CEABRO COc1ccc(Cl)c2c(NCC[NH3+])ccnc12 ZINC000222682799 533831694 /nfs/dbraw/zinc/83/16/94/533831694.db2.gz OXHDGEBSGUUZPV-UHFFFAOYSA-N 1 0 251.717 2.267 40 0 CEABRO COC[C@@]12CCCO[C@@H]1CC[N@H+](Cc1ccoc1)C2 ZINC000096038970 185069742 /nfs/dbraw/zinc/06/97/42/185069742.db2.gz RPAIPOFUMNRCFZ-CABCVRRESA-N 1 0 265.353 2.297 40 0 CEABRO c1cncc(O[C@@H]2C[N@@H+](C3CCC3)[C@@H]3CCCO[C@H]23)c1 ZINC000096042450 185070232 /nfs/dbraw/zinc/07/02/32/185070232.db2.gz YQQALFRWHLEBBG-OAGGEKHMSA-N 1 0 274.364 2.245 40 0 CEABRO CC(C)CN1CCC2(CC[NH+](CC3CC3)CC2)C1=O ZINC000096046777 185071155 /nfs/dbraw/zinc/07/11/55/185071155.db2.gz VKLGIIBIMJBTFN-UHFFFAOYSA-N 1 0 264.413 2.367 40 0 CEABRO O=C(c1cccnc1)N1CCC2(C1)CC[NH+](CC1CC1)CC2 ZINC000096046583 185071776 /nfs/dbraw/zinc/07/17/76/185071776.db2.gz LUXFOCLNZSTZIF-UHFFFAOYSA-N 1 0 299.418 2.420 40 0 CEABRO Cn1cc([C@H]2COC3(C2)CC[NH+](CC2CC2)CC3)cn1 ZINC000096047806 185073173 /nfs/dbraw/zinc/07/31/73/185073173.db2.gz QVPZWGPJBMEZTG-CQSZACIVSA-N 1 0 275.396 2.169 40 0 CEABRO CC(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCN2Cc1ccccn1 ZINC000096055779 185076649 /nfs/dbraw/zinc/07/66/49/185076649.db2.gz SBBHTYNSOLBOTH-JKSUJKDBSA-N 1 0 259.397 2.386 40 0 CEABRO c1cncc(O[C@H]2C[N@@H+](CC3CC3)[C@H]3CCCO[C@H]23)c1 ZINC000096058088 185078854 /nfs/dbraw/zinc/07/88/54/185078854.db2.gz AWBDSCWTNQXCSO-JYJNAYRXSA-N 1 0 274.364 2.102 40 0 CEABRO CN1CC[C@@]2(CCC[N@H+](Cc3cccs3)C2)C1=O ZINC000096073923 185088783 /nfs/dbraw/zinc/08/87/83/185088783.db2.gz USHQMXXIUJFMBS-CQSZACIVSA-N 1 0 264.394 2.192 40 0 CEABRO O=C1[C@H]2C[N@H+](Cc3ccsc3)C[C@H]2CN1c1ccoc1 ZINC000096080733 185091148 /nfs/dbraw/zinc/09/11/48/185091148.db2.gz AHWJNYXLTFRFEF-JSGCOSHPSA-N 1 0 288.372 2.436 40 0 CEABRO CO[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1c(C)noc1C)C2 ZINC000096107181 185100381 /nfs/dbraw/zinc/10/03/81/185100381.db2.gz KETKEZNFVJJWFM-HIFRSBDPSA-N 1 0 280.368 2.061 40 0 CEABRO CCOc1cccc(NC(=O)[C@H]2CCC[N@H+](C)C2)c1 ZINC000096629202 185107896 /nfs/dbraw/zinc/10/78/96/185107896.db2.gz PQIJWKREXJLICT-LBPRGKRZSA-N 1 0 262.353 2.366 40 0 CEABRO CCCOc1c(OC)cc(C[C@H](C)[NH3+])cc1OC ZINC000037728715 361925390 /nfs/dbraw/zinc/92/53/90/361925390.db2.gz KKMCHCCXGKYEKJ-JTQLQIEISA-N 1 0 253.342 2.382 40 0 in-vitro CEABRO COc1ccc(CC(=O)NCCC[NH+]2CCCC2)cc1C ZINC000222958679 539295820 /nfs/dbraw/zinc/29/58/20/539295820.db2.gz IIONTVLXPCNJQH-UHFFFAOYSA-N 1 0 290.407 2.148 40 0 CEABRO C[C@@H]1CC[C@@H](C)N1c1ccc(N2CCOCC2)c(N)c1 ZINC000008701412 343362867 /nfs/dbraw/zinc/36/28/67/343362867.db2.gz OLOLGOYRPYYLEQ-CHWSQXEVSA-N 1 0 275.396 2.483 40 0 CEABRO C[NH2+]CCCNc1ccnc2c(OC)ccc(OC)c12 ZINC000222682431 529971835 /nfs/dbraw/zinc/97/18/35/529971835.db2.gz HJWRZJFJRNWBQN-UHFFFAOYSA-N 1 0 275.352 2.273 40 0 CEABRO [NH3+][C@H]1CC[C@H](Oc2ncccc2Br)CC1 ZINC000299892258 344697478 /nfs/dbraw/zinc/69/74/78/344697478.db2.gz QOYKGYIPPRHLBK-KYZUINATSA-N 1 0 271.158 2.493 40 0 CEABRO [NH3+]Cc1cnn(-c2ccc(F)cc2)c1-n1cccc1 ZINC000409434293 344888988 /nfs/dbraw/zinc/88/89/88/344888988.db2.gz NGEBVQNYIJXUOX-UHFFFAOYSA-N 1 0 256.284 2.261 40 0 CEABRO CC(C)[NH2+]C[C@H]1CC[C@@H](Oc2ccc(F)cc2)[C@@H]1O ZINC000585286568 345009761 /nfs/dbraw/zinc/00/97/61/345009761.db2.gz LUPJGLLDADMRNQ-KCPJHIHWSA-N 1 0 267.344 2.342 40 0 CEABRO NC(=O)[C@@H](c1cccc(Cl)c1)[C@@H]1CCCC[NH2+]1 ZINC000059534377 362649460 /nfs/dbraw/zinc/64/94/60/362649460.db2.gz NNXZVDYCDYJWSX-RYUDHWBXSA-N 1 0 252.745 2.051 40 0 CEABRO CCN(CC)C(=[NH2+])Nc1ccc(OC)c(OC)c1 ZINC000059497677 362649503 /nfs/dbraw/zinc/64/95/03/362649503.db2.gz QMYFPHLEZQMTQG-UHFFFAOYSA-N 1 0 251.330 2.392 40 0 CEABRO Cc1cc(OCC(=O)NC2CC[NH+](C)CC2)ccc1Cl ZINC000061031165 362674445 /nfs/dbraw/zinc/67/44/45/362674445.db2.gz ORWOZLGTGLSQRK-UHFFFAOYSA-N 1 0 296.798 2.238 40 0 CEABRO CCCNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000061743254 362688100 /nfs/dbraw/zinc/68/81/00/362688100.db2.gz ZDPFSEGPNVTGRW-UHFFFAOYSA-N 1 0 275.396 2.492 40 0 CEABRO Cc1cc(C)nc(NCCC[NH2+]Cc2cccnc2)n1 ZINC000062717852 362721503 /nfs/dbraw/zinc/72/15/03/362721503.db2.gz LKOCILOIDKMCTM-UHFFFAOYSA-N 1 0 271.368 2.080 40 0 CEABRO O=C(N[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)OCc1ccccc1 ZINC000103594077 185850668 /nfs/dbraw/zinc/85/06/68/185850668.db2.gz DKBABMXWUIOAQU-WDNDVIMCSA-N 1 0 260.337 2.196 40 0 CEABRO Cc1ccc(S(=O)(=O)[C@@H]2[C@H]([NH3+])[C@H]2c2ccccc2)cc1 ZINC000242538779 539722845 /nfs/dbraw/zinc/72/28/45/539722845.db2.gz JHMTZCUCRRKLTK-OAGGEKHMSA-N 1 0 287.384 2.262 40 0 CEABRO c1coc(C[N@@H+]2CCC[C@@]3(C[C@@H](n4ccnc4)CO3)C2)c1 ZINC000107731331 186189358 /nfs/dbraw/zinc/18/93/58/186189358.db2.gz ODJOIXLINXIUPZ-GDBMZVCRSA-N 1 0 287.363 2.472 40 0 CEABRO Cc1nc(-c2ccc(F)cc2)cc(N2CCC[NH2+]CC2)n1 ZINC000070458544 363085974 /nfs/dbraw/zinc/08/59/74/363085974.db2.gz CCNRXTCNMUFCCD-UHFFFAOYSA-N 1 0 286.354 2.391 40 0 CEABRO CC(C)[N@H+](CCO)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000079395096 363596177 /nfs/dbraw/zinc/59/61/77/363596177.db2.gz ZFCBPDQQOVKMTB-QGZVFWFLSA-N 1 0 276.424 2.354 40 0 CEABRO CCC[N@@H+]1C[C@@H]2CC[C@]3(CC(C)=NN3C(C)=O)[C@H]2C1 ZINC000306134560 283354325 /nfs/dbraw/zinc/35/43/25/283354325.db2.gz NRUNORKAOHBWII-KKUMJFAQSA-N 1 0 263.385 2.105 40 0 CEABRO O=C1Nc2ccccc2[C@@]12CC[NH2+][C@H]2Cc1ccccc1 ZINC000001628881 361212986 /nfs/dbraw/zinc/21/29/86/361212986.db2.gz LBSLOKHJTVZQDX-FUHWJXTLSA-N 1 0 278.355 2.481 40 0 CEABRO C[C@@H](COC(=O)c1ccc(N)cc1)[NH2+]C1CCCC1 ZINC000001995942 361224618 /nfs/dbraw/zinc/22/46/18/361224618.db2.gz GCRJHEWGTMBSMV-NSHDSACASA-N 1 0 262.353 2.346 40 0 CEABRO C[C@H]1CN(c2ccc(N)cc2C(F)(F)F)C[C@H](C)[NH2+]1 ZINC000008701212 361343221 /nfs/dbraw/zinc/34/32/21/361343221.db2.gz DQQBCBCNYZFACE-IUCAKERBSA-N 1 0 273.302 2.474 40 0 CEABRO CO[C@@H]1CC=C2CC[N@@H+]3CCC4=C(CCOC4)[C@@]23C1 ZINC000005248456 361332340 /nfs/dbraw/zinc/33/23/40/361332340.db2.gz QUJGKXLFHIGUGU-GDBMZVCRSA-N 1 0 261.365 2.287 40 0 CEABRO Clc1cccc(Cl)c1OC[C@@H]1C[NH2+]CCO1 ZINC000011587467 361359071 /nfs/dbraw/zinc/35/90/71/361359071.db2.gz HRMLRPDFYGVAAF-QMMMGPOBSA-N 1 0 262.136 2.361 40 0 CEABRO CC1(C)[C@@H]2C[C@H]1C(COC[C@@H](O)C[NH2+]C1CC1)=CC2 ZINC000013017070 361417341 /nfs/dbraw/zinc/41/73/41/361417341.db2.gz ZRWVUMQBQUVBRH-QEJZJMRPSA-N 1 0 265.397 2.108 40 0 CEABRO Nc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000017466790 361510186 /nfs/dbraw/zinc/51/01/86/361510186.db2.gz MKNQZZGCGYYGOH-HOCLYGCPSA-N 1 0 287.407 2.263 40 0 CEABRO COc1ccccc1NC(=O)COc1ccc(C[NH3+])cc1 ZINC000019263372 361523957 /nfs/dbraw/zinc/52/39/57/361523957.db2.gz LUHSDJOLOHKTEY-UHFFFAOYSA-N 1 0 286.331 2.171 40 0 CEABRO COc1cccc(C[N@@H+]2CC[C@H](c3cc(=O)[nH]c(C)n3)C2)c1 ZINC000019285258 361527316 /nfs/dbraw/zinc/52/73/16/361527316.db2.gz PIZJRIXZJITVMN-AWEZNQCLSA-N 1 0 299.374 2.076 40 0 CEABRO CCc1noc(C)c1C(=O)NC[C@H]1CCCC[N@H+]1CC ZINC000019521277 361542078 /nfs/dbraw/zinc/54/20/78/361542078.db2.gz CSAINSJXKBKGSK-GFCCVEGCSA-N 1 0 279.384 2.150 40 0 CEABRO Cc1nc(C2CC[NH2+]CC2)ncc1C(=O)N[C@@H](C)C(C)C ZINC000019766903 361550181 /nfs/dbraw/zinc/55/01/81/361550181.db2.gz JOWSSSNNGFKJID-NSHDSACASA-N 1 0 290.411 2.026 40 0 CEABRO [NH3+]CCN(Cc1ccc(Br)cc1)C1CC1 ZINC000032116312 361730328 /nfs/dbraw/zinc/73/03/28/361730328.db2.gz SMQDZCSQIQPFIZ-UHFFFAOYSA-N 1 0 269.186 2.372 40 0 CEABRO CCCNc1nc(N2CCCC2)nc(NCCC)[nH+]1 ZINC000089065432 363927098 /nfs/dbraw/zinc/92/70/98/363927098.db2.gz LVCBAFSCJHAZDQ-UHFFFAOYSA-N 1 0 264.377 2.116 40 0 CEABRO CC[N@@H+]1CCC[C@H](n2ncc3cnc(Cl)nc32)C1 ZINC000095097372 364340324 /nfs/dbraw/zinc/34/03/24/364340324.db2.gz SBTACHXIMUIIKD-JTQLQIEISA-N 1 0 265.748 2.137 40 0 CEABRO C[N@@H+]1CCC[C@]2(CCN(c3ccsc3)C2=O)C1 ZINC000096074056 364400441 /nfs/dbraw/zinc/40/04/41/364400441.db2.gz VLECHKLEELVGDZ-ZDUSSCGKSA-N 1 0 250.367 2.197 40 0 CEABRO CO[C@H]1CC[N@H+](Cc2nccn2C)[C@H]1Cc1ccccc1 ZINC000096200377 364410341 /nfs/dbraw/zinc/41/03/41/364410341.db2.gz FSQRSBODWQPDFY-HOTGVXAUSA-N 1 0 285.391 2.252 40 0 CEABRO COC[C@@H]1CCC2(CCN(Cc3ccoc3)CC2)[N@@H+]1C ZINC000096208154 364410354 /nfs/dbraw/zinc/41/03/54/364410354.db2.gz AMUFGPXPRRJJOR-HNNXBMFYSA-N 1 0 278.396 2.355 40 0 CEABRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)Cc3ccsc3)C2)C1 ZINC000096215251 364412518 /nfs/dbraw/zinc/41/25/18/364412518.db2.gz YHDWRDSACVMGEU-OAHLLOKOSA-N 1 0 278.421 2.235 40 0 CEABRO CC(C)[C@@H]1CO[C@]2(CC[N@H+](Cc3cnn(C)c3)C2)C1 ZINC000096218246 364413170 /nfs/dbraw/zinc/41/31/70/364413170.db2.gz ODYKVAIZCSTCFV-LSDHHAIUSA-N 1 0 263.385 2.057 40 0 CEABRO CCC(=O)N1CC[C@@]2(c3ccccc3)CC[N@H+](C)[C@@H]2C1 ZINC000096251818 364415719 /nfs/dbraw/zinc/41/57/19/364415719.db2.gz BWMHZOIKSIBNDQ-NVXWUHKLSA-N 1 0 272.392 2.271 40 0 CEABRO Fc1cccnc1N1CC[C@]2(C1)C[NH2+]CCC2(F)F ZINC000096239813 364417263 /nfs/dbraw/zinc/41/72/63/364417263.db2.gz WJYARGSJASZEKY-GFCCVEGCSA-N 1 0 271.286 2.046 40 0 CEABRO CC(C)Nc1ncnc2c1CC[N@H+](Cc1ccncc1)CC2 ZINC000096255514 364418525 /nfs/dbraw/zinc/41/85/25/364418525.db2.gz NKQWTDSHQISKKO-UHFFFAOYSA-N 1 0 297.406 2.293 40 0 CEABRO [NH3+][C@H]1CC[C@H](NC(=O)c2ccc(Cl)cc2)CC1 ZINC000100809610 364550739 /nfs/dbraw/zinc/55/07/39/364550739.db2.gz UTPGEBQTSHQWPV-TXEJJXNPSA-N 1 0 252.745 2.340 40 0 CEABRO CCn1c2ncccc2nc1[C@@H]([NH3+])CCSC ZINC000111348800 364729389 /nfs/dbraw/zinc/72/93/89/364729389.db2.gz QISXGYYDQAANPY-VIFPVBQESA-N 1 0 250.371 2.204 40 0 CEABRO O=C(C[NH+]1CCCCC1)N1CCCc2ccccc21 ZINC000004546205 283814674 /nfs/dbraw/zinc/81/46/74/283814674.db2.gz SRPIHPAUSMLEMI-UHFFFAOYSA-N 1 0 258.365 2.452 40 0 CEABRO CC(C)(C)OC(=O)N1C[C@@H]([NH3+])[C@@](C)(C(F)(F)F)C1 ZINC000199784083 189683843 /nfs/dbraw/zinc/68/38/43/189683843.db2.gz PMJPHYRIBXKIDH-XCBNKYQSSA-N 1 0 268.279 2.133 40 0 CEABRO Cc1c[nH]c([C@@H]2CCCN(c3ccnc(C)n3)C2)n1 ZINC000257262614 371610131 /nfs/dbraw/zinc/61/01/31/371610131.db2.gz LMCKNAUMFGYMNF-GFCCVEGCSA-N 1 0 257.341 2.201 40 0 CEABRO Cc1cncc([C@@H]2CCC[N@@H+]2CC2CCOCC2)n1 ZINC000257344606 371613889 /nfs/dbraw/zinc/61/38/89/371613889.db2.gz ZXYXYUQNIJUPIF-HNNXBMFYSA-N 1 0 261.369 2.349 40 0 CEABRO CC(C)OCCC[NH2+]Cc1cc(C(F)(F)F)nn1C ZINC000256049613 190002587 /nfs/dbraw/zinc/00/25/87/190002587.db2.gz AQQNYWBQTIFRHT-UHFFFAOYSA-N 1 0 279.306 2.344 40 0 CEABRO FC(F)Cn1ccc(C[NH2+]CCc2ccccc2)n1 ZINC000256049491 190002662 /nfs/dbraw/zinc/00/26/62/190002662.db2.gz AECUVUHAENFOET-UHFFFAOYSA-N 1 0 265.307 2.481 40 0 CEABRO Cc1nn(C2CCCC2)cc1C[NH2+]Cc1cnn(C)c1 ZINC000256052043 190003449 /nfs/dbraw/zinc/00/34/49/190003449.db2.gz LRPLQFMRPBNELZ-UHFFFAOYSA-N 1 0 273.384 2.330 40 0 CEABRO CCCn1cc(CNCCC[NH+](CC)CC)c(C)n1 ZINC000256051222 190003515 /nfs/dbraw/zinc/00/35/15/190003515.db2.gz IGRLBWVGASYFGY-UHFFFAOYSA-N 1 0 266.433 2.423 40 0 CEABRO CC(C)[N@@H+]1CC[C@@H](Cc2cnc(-c3ncco3)cn2)C1 ZINC000257200996 190010658 /nfs/dbraw/zinc/01/06/58/190010658.db2.gz AFRXXXOHPMGSTK-LBPRGKRZSA-N 1 0 272.352 2.404 40 0 CEABRO CC1(c2nccs2)CC[NH+]([C@@H]2CCOC2)CC1 ZINC000257242602 190018355 /nfs/dbraw/zinc/01/83/55/190018355.db2.gz IDHBCNUNTCOBCA-LLVKDONJSA-N 1 0 252.383 2.286 40 0 CEABRO Cc1cccc(Nc2cnc([C@@H]3CCC[NH2+]C3)cn2)n1 ZINC000257242438 190018948 /nfs/dbraw/zinc/01/89/48/190018948.db2.gz ICMAERVQWZXROQ-GFCCVEGCSA-N 1 0 269.352 2.391 40 0 CEABRO COCC[N@@H+]1CCC[C@@H](c2cccc(-c3cc[nH]n3)n2)C1 ZINC000257249942 190019818 /nfs/dbraw/zinc/01/98/18/190019818.db2.gz JKIZXPTUOJHNTF-CYBMUJFWSA-N 1 0 286.379 2.298 40 0 CEABRO CCn1cc(CN2CC[N@H+](C)[C@@H](c3ccccc3)C2)cn1 ZINC000257265047 190022998 /nfs/dbraw/zinc/02/29/98/190022998.db2.gz LXBCCSCABXWYFS-QGZVFWFLSA-N 1 0 284.407 2.392 40 0 CEABRO C[NH+]1CCC(c2cncc(N3C(=O)OCC3(C)C)n2)CC1 ZINC000257284096 190026518 /nfs/dbraw/zinc/02/65/18/190026518.db2.gz PBFFVZPWXUUUFF-UHFFFAOYSA-N 1 0 290.367 2.021 40 0 CEABRO Cc1n[nH]cc1C[N@@H+]1CCC[C@H](c2ccnc(C)n2)C1 ZINC000257284971 190026724 /nfs/dbraw/zinc/02/67/24/190026724.db2.gz PFCJBCRZUOXKTH-ZDUSSCGKSA-N 1 0 271.368 2.196 40 0 CEABRO Cc1n[nH]cc1C[N@@H+]1CCC[C@@H](c2ccnc(C)n2)C1 ZINC000257284970 190027357 /nfs/dbraw/zinc/02/73/57/190027357.db2.gz PFCJBCRZUOXKTH-CYBMUJFWSA-N 1 0 271.368 2.196 40 0 CEABRO c1cncc(-c2ccc3nc([C@@H]4CCC[NH2+]C4)nn3c2)c1 ZINC000306134880 376541160 /nfs/dbraw/zinc/54/11/60/376541160.db2.gz OALGZWHTBHXARD-CYBMUJFWSA-N 1 0 279.347 2.258 40 0 CEABRO CC[N@@H+]1CC[C@]2(c3ccccc3)CCN(C(C)=O)C[C@H]12 ZINC000096251898 256834546 /nfs/dbraw/zinc/83/45/46/256834546.db2.gz ADFKGDUQBPZDFV-DLBZAZTESA-N 1 0 272.392 2.271 40 0 CEABRO [NH3+]CCS[C@]1(O)c2ccccc2-c2ccccc2C1=O ZINC000001723911 394452167 /nfs/dbraw/zinc/45/21/67/394452167.db2.gz HZKDTFXQZYFOOS-MRXNPFEDSA-N 1 0 285.368 2.387 40 0 CEABRO CC(C)[NH2+]C[C@@H](O)COC1C2CC3CC(C2)CC1C3 ZINC000005005448 394457075 /nfs/dbraw/zinc/45/70/75/394457075.db2.gz HCXHUTBJSKJQOH-BAPHQMLMSA-N 1 0 267.413 2.187 40 0 CEABRO COc1ccc(CCN2CC[NH2+][C@H]3CCCC[C@H]32)cc1 ZINC000218830831 394457785 /nfs/dbraw/zinc/45/77/85/394457785.db2.gz JXGRNVWDZAPPFU-DLBZAZTESA-N 1 0 274.408 2.454 40 0 CEABRO CC(C)[C@@H]([NH3+])c1cc(=O)n2nc(-c3ccccn3)cc2[nH]1 ZINC000019445421 394468072 /nfs/dbraw/zinc/46/80/72/394468072.db2.gz DYWLPXATZSNQED-OAHLLOKOSA-N 1 0 283.335 2.153 40 0 CEABRO COc1ccc(OC)c(N2CC[NH2+][C@@H]3CCCC[C@@H]32)c1 ZINC000225713517 394469436 /nfs/dbraw/zinc/46/94/36/394469436.db2.gz ULHVNLJGQYCJMY-KGLIPLIRSA-N 1 0 276.380 2.425 40 0 CEABRO COc1ccc2c3c1O[C@@H]1C[C@H](O)C=C(CC[N@@H+](C)C2)[C@H]31 ZINC000242473299 394495888 /nfs/dbraw/zinc/49/58/88/394495888.db2.gz FFQKTDKDUHFQKE-YUELXQCFSA-N 1 0 287.359 2.066 40 0 CEABRO C[N@@H+]1CCCC[C@H]1c1ccc(N2CCOCC2)nc1 ZINC000072216177 394593703 /nfs/dbraw/zinc/59/37/03/394593703.db2.gz PGFVPJUPXFNDRH-AWEZNQCLSA-N 1 0 261.369 2.075 40 0 CEABRO [NH3+][C@H]1CC[C@H](NC(=O)c2ccccc2Br)CC1 ZINC000255190500 394579573 /nfs/dbraw/zinc/57/95/73/394579573.db2.gz XOZKEWHVJKHDIP-MGCOHNPYSA-N 1 0 297.196 2.449 40 0 CEABRO Cc1cc(N(C)C)cc([C@H]2CCN(c3ncccn3)C2)[nH+]1 ZINC000072385408 394598373 /nfs/dbraw/zinc/59/83/73/394598373.db2.gz MUBJWIBZYTVLDD-ZDUSSCGKSA-N 1 0 283.379 2.240 40 0 CEABRO CO[C@H]1C[N@H+](Cc2cccs2)[C@@H]2CCCO[C@@H]21 ZINC000096057403 394675786 /nfs/dbraw/zinc/67/57/86/394675786.db2.gz CBFAJJAPTOIZKT-AGIUHOORSA-N 1 0 253.367 2.126 40 0 CEABRO CC[C@H](C)[N@H+]1C[C@@H]2[C@H](C1)OCCN2Cc1cccc(C)n1 ZINC000096081821 394676115 /nfs/dbraw/zinc/67/61/15/394676115.db2.gz YMFCTVLMXBBOSO-UAGQMJEPSA-N 1 0 289.423 2.074 40 0 CEABRO FC(F)(F)c1cc(N2CCC[NH2+]CC2)nc(C2CC2)n1 ZINC000096517010 394694049 /nfs/dbraw/zinc/69/40/49/394694049.db2.gz UDXHZIPUFADEBA-UHFFFAOYSA-N 1 0 286.301 2.173 40 0 CEABRO C[N@@H+]1CCc2nc(Cl)c(Br)cc2C1 ZINC000096510601 394694230 /nfs/dbraw/zinc/69/42/30/394694230.db2.gz ZILVJFVRGMGQER-UHFFFAOYSA-N 1 0 261.550 2.485 40 0 CEABRO Cc1ccc(N2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)nn1 ZINC000396185154 395215783 /nfs/dbraw/zinc/21/57/83/395215783.db2.gz UBHAOKIFMKUUSO-IRXDYDNUSA-N 1 0 294.402 2.353 40 0 CEABRO COC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1cccc(Cl)c1 ZINC000217669467 400308053 /nfs/dbraw/zinc/30/80/53/400308053.db2.gz GRUWZCAOPKGXBQ-NEPJUHHUSA-N 1 0 253.729 2.158 40 0 CEABRO CC1(C)O[C@@]2(C)CC[C@@H]1[C@@H](O)[C@H]2[NH+]1CCCCC1 ZINC000005459432 170101312 /nfs/dbraw/zinc/10/13/12/170101312.db2.gz DYMQRJBTOVFIOV-BHPKHCPMSA-N 1 0 253.386 2.179 40 0 CEABRO O=C(c1ccccc1)[C@H](Cc1ccccc1)[NH2+]CCO ZINC000006580554 170215147 /nfs/dbraw/zinc/21/51/47/170215147.db2.gz JZFVEQOVDOMOIE-INIZCTEOSA-N 1 0 269.344 2.063 40 0 CEABRO [NH3+]C[C@H](c1ccccc1C(F)(F)F)N1CCOCC1 ZINC000022210463 171373378 /nfs/dbraw/zinc/37/33/78/171373378.db2.gz DTMYKPFBKABTRB-GFCCVEGCSA-N 1 0 274.286 2.037 40 0 CEABRO Cc1cc(NCC[NH3+])n2nc(-c3ccc(F)cc3)cc2n1 ZINC000035314972 172122631 /nfs/dbraw/zinc/12/26/31/172122631.db2.gz FNRQTWXZUAOJIW-UHFFFAOYSA-N 1 0 285.326 2.214 40 0 CEABRO COc1cc(OC)c([C@@H](C[NH3+])N2CCCCC2)c(OC)c1 ZINC000037376733 173165143 /nfs/dbraw/zinc/16/51/43/173165143.db2.gz ULBYACIGLSGVRC-CYBMUJFWSA-N 1 0 294.395 2.198 40 0 CEABRO CC(C)[C@H]1CN(C(=O)OCc2ccccc2)CC[NH2+]1 ZINC000039952248 174176980 /nfs/dbraw/zinc/17/69/80/174176980.db2.gz UHKFCNJIUKFZTO-CQSZACIVSA-N 1 0 262.353 2.253 40 0 CEABRO O=C(Nc1ccccc1Br)NC1CC[NH2+]CC1 ZINC000067800593 175792438 /nfs/dbraw/zinc/79/24/38/175792438.db2.gz JDLQUVLCJDXMRH-UHFFFAOYSA-N 1 0 298.184 2.323 40 0 CEABRO CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+]C2CC2)C1 ZINC000072194487 176337180 /nfs/dbraw/zinc/33/71/80/176337180.db2.gz BSKXECJFQNIYJN-LLVKDONJSA-N 1 0 254.374 2.386 40 0 CEABRO COc1ccccc1C[N@@H+]1CC[C@@H](c2cc[nH]n2)C1 ZINC000072385092 176389600 /nfs/dbraw/zinc/38/96/00/176389600.db2.gz IIXIIHNJDARDBR-GFCCVEGCSA-N 1 0 257.337 2.408 40 0 CEABRO CC(=O)OCc1ccc(CN2C[C@@H]3CCC[N@H+]3C[C@H]2C)o1 ZINC000072397549 176395097 /nfs/dbraw/zinc/39/50/97/176395097.db2.gz PZLFJHQRYKIHEQ-OCCSQVGLSA-N 1 0 292.379 2.011 40 0 CEABRO Brc1ccc2c(c1)C1(CN2)CC[NH2+]CC1 ZINC000079032890 275370360 /nfs/dbraw/zinc/37/03/60/275370360.db2.gz RCYIQUPDHVPOHD-UHFFFAOYSA-N 1 0 267.170 2.496 40 0 CEABRO Brc1cccc(N[C@H]2CCC[NH2+]C2)n1 ZINC000040434967 275373417 /nfs/dbraw/zinc/37/34/17/275373417.db2.gz VUMVMDPFZPIMQH-QMMMGPOBSA-N 1 0 256.147 2.008 40 0 CEABRO C[NH+](C)Cc1c[nH]c2nccc(Br)c12 ZINC000095937248 276809936 /nfs/dbraw/zinc/80/99/36/276809936.db2.gz CWTKNCUPGRQULU-UHFFFAOYSA-N 1 0 254.131 2.387 40 0 CEABRO C[C@@H]([NH3+])c1nc(COc2ccc(Cl)cc2)n[nH]1 ZINC000095534639 278319050 /nfs/dbraw/zinc/31/90/50/278319050.db2.gz PUSOAAAZUUKZAF-SSDOTTSWSA-N 1 0 252.705 2.057 40 0 CEABRO Cc1cccc(C(=O)N2CCC[C@H]3[NH2+]CCC[C@@]32C)n1 ZINC000257289333 278910524 /nfs/dbraw/zinc/91/05/24/278910524.db2.gz PYEJTZNGKAHOSE-ZBFHGGJFSA-N 1 0 273.380 2.137 40 0 CEABRO Cc1cccc2[n+]1[C@@H]1[C@@H]3O[C@@H](c4ccccc43)[C@@H]1[S@@](=O)N2 ZINC000102938971 278932542 /nfs/dbraw/zinc/93/25/42/278932542.db2.gz ZPAVLTKGUPNJKP-WCYOCWRHSA-O 1 0 299.375 2.108 40 0 CEABRO Cc1noc(C)c1C(=O)N1C[C@@H]2C[NH2+]C[C@H]2c2ccccc21 ZINC000096088606 293921810 /nfs/dbraw/zinc/92/18/10/293921810.db2.gz PAHJJWYPOYMVIM-GXTWGEPZSA-N 1 0 297.358 2.255 40 0 CEABRO O=C(Cc1cccs1)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000062672933 295556635 /nfs/dbraw/zinc/55/66/35/295556635.db2.gz BXKGXXCJSQXWBM-OAHLLOKOSA-N 1 0 286.400 2.464 40 0 CEABRO C[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000245481481 334196409 /nfs/dbraw/zinc/19/64/09/334196409.db2.gz CJYWUBAMFOMXNK-KBXIAJHMSA-N 1 0 264.413 2.365 40 0 CEABRO CC[NH+](CC)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(C)O ZINC000685936449 567103083 /nfs/dbraw/zinc/10/30/83/567103083.db2.gz XZGHWFKFMPKSND-WFASDCNBSA-N 1 0 286.416 2.089 40 0 CEABRO C[N@@H+]1CCC[C@]2(CN(Cc3ccc(F)cc3)CCO2)C1 ZINC000096049065 185072302 /nfs/dbraw/zinc/07/23/02/185072302.db2.gz CQZBSGHCUGRSDI-MRXNPFEDSA-N 1 0 278.371 2.122 40 0 CEABRO CC[N@@H+]1CCOC[C@]2(CCCN(Cc3ccccn3)C2)C1 ZINC000096049597 185073020 /nfs/dbraw/zinc/07/30/20/185073020.db2.gz WVUBZOQEFIPAAZ-QGZVFWFLSA-N 1 0 289.423 2.016 40 0 CEABRO CC[C@@](O)(c1cccc(OC)c1)[C@@H](C)C[NH+](C)C ZINC000033979435 361787853 /nfs/dbraw/zinc/78/78/53/361787853.db2.gz PZNRRUTVGXCKFC-WFASDCNBSA-N 1 0 251.370 2.491 40 0 CEABRO [NH3+]CCc1nc(-c2ccccc2Br)no1 ZINC000034797656 361794488 /nfs/dbraw/zinc/79/44/88/361794488.db2.gz ZXGOWDQUNTUPGJ-UHFFFAOYSA-N 1 0 268.114 2.000 40 0 CEABRO c1nc(COCC2CC2)c2n1CCC[N@@H+](CC1CC1)C2 ZINC000096059028 185078861 /nfs/dbraw/zinc/07/88/61/185078861.db2.gz GDKFBLQTNBSZBM-UHFFFAOYSA-N 1 0 275.396 2.425 40 0 CEABRO O=C([C@H]1CCC2(CC[NH+](CC3CC3)CC2)O1)N1CCCC1 ZINC000096061261 185082539 /nfs/dbraw/zinc/08/25/39/185082539.db2.gz RFZBALKLLRHKRP-OAHLLOKOSA-N 1 0 292.423 2.032 40 0 CEABRO c1nc(C[NH+]2CCC3(C[C@@H](c4cccnc4)CO3)CC2)c[nH]1 ZINC000096073008 185088818 /nfs/dbraw/zinc/08/88/18/185088818.db2.gz WXTBMCINQWCSHK-OAHLLOKOSA-N 1 0 298.390 2.343 40 0 CEABRO CC(C)C[N@@H+]1C[C@@H]2CN(C(=O)Nc3ccccc3)C[C@@H]21 ZINC000096080580 185090682 /nfs/dbraw/zinc/09/06/82/185090682.db2.gz MILOUHMKHQMEJO-HIFRSBDPSA-N 1 0 273.380 2.491 40 0 CEABRO CCOc1ccc([C@H](C[NH3+])N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000036100791 361829212 /nfs/dbraw/zinc/82/92/12/361829212.db2.gz KZMZFCSIRMTEJX-IOASZLSFSA-N 1 0 278.396 2.194 40 0 CEABRO C[N@@H+]1CCC[C@H](Cc2cnc(Br)cn2)C1 ZINC000205706495 539185159 /nfs/dbraw/zinc/18/51/59/539185159.db2.gz XGTIAASFPAIINX-SECBINFHSA-N 1 0 270.174 2.123 40 0 CEABRO Clc1ccc(Cc2nsc(N3CC[NH2+]CC3)n2)cc1 ZINC000004562323 343353180 /nfs/dbraw/zinc/35/31/80/343353180.db2.gz HPJNPWUVMYTPNJ-UHFFFAOYSA-N 1 0 294.811 2.192 40 0 CEABRO c1ccc(C[N@H+]2C[C@H]3CN(c4ncccn4)C[C@H]3C2)cc1 ZINC000039348997 343435972 /nfs/dbraw/zinc/43/59/72/343435972.db2.gz JJRLPUYJOZKMFO-IYBDPMFKSA-N 1 0 280.375 2.045 40 0 CEABRO [NH3+]C1CCN(CC(=O)c2ccc(Br)cc2)CC1 ZINC000050158280 362405662 /nfs/dbraw/zinc/40/56/62/362405662.db2.gz OTSWMOUTFIEYHD-UHFFFAOYSA-N 1 0 297.196 2.055 40 0 CEABRO Brc1ccc(OCC2CC[NH2+]CC2)nc1 ZINC000051869852 362442074 /nfs/dbraw/zinc/44/20/74/362442074.db2.gz NGZMALBPKHBTRX-UHFFFAOYSA-N 1 0 271.158 2.223 40 0 CEABRO Brc1cccnc1OC[C@@H]1CCC[NH2+]C1 ZINC000051883235 362442953 /nfs/dbraw/zinc/44/29/53/362442953.db2.gz GVJUGQNJCIHMBO-SECBINFHSA-N 1 0 271.158 2.223 40 0 CEABRO OC[C@@H]1CC[N@H+](Cc2cccc(Br)c2)C1 ZINC000051887055 362444698 /nfs/dbraw/zinc/44/46/98/362444698.db2.gz JOKZZLUKCYXRJI-LLVKDONJSA-N 1 0 270.170 2.263 40 0 CEABRO [NH3+]CCn1nc(-c2ccsc2)c2c1CCSC2 ZINC000409437499 344888896 /nfs/dbraw/zinc/88/88/96/344888896.db2.gz HGWAXPDDCFCLGO-UHFFFAOYSA-N 1 0 265.407 2.360 40 0 CEABRO Cc1nc(C[NH3+])cc(-c2ccc(Br)o2)n1 ZINC000409439765 344889576 /nfs/dbraw/zinc/88/95/76/344889576.db2.gz UHORAFJVFJCWSS-UHFFFAOYSA-N 1 0 268.114 2.266 40 0 CEABRO C[C@H]1CCCCN1C(=O)C[NH2+]Cc1ccc(F)cc1 ZINC000057467037 362581681 /nfs/dbraw/zinc/58/16/81/362581681.db2.gz PMQGCSFWARAKLH-LBPRGKRZSA-N 1 0 264.344 2.316 40 0 CEABRO C[NH+](C)CCCN(Cc1cccnc1)Cc1ccccn1 ZINC000057605186 362588225 /nfs/dbraw/zinc/58/82/25/362588225.db2.gz DNDJPMVJYPHWEB-UHFFFAOYSA-N 1 0 284.407 2.431 40 0 CEABRO CCNc1ncc(C[NH2+]Cc2ccc(F)cc2)cn1 ZINC000062717545 362720705 /nfs/dbraw/zinc/72/07/05/362720705.db2.gz ZQZKRYGFRPRLKJ-UHFFFAOYSA-N 1 0 260.316 2.337 40 0 CEABRO Cc1cc(C)nc(NCC[NH2+]Cc2cccs2)n1 ZINC000062717847 362721387 /nfs/dbraw/zinc/72/13/87/362721387.db2.gz DRKXGPQEHSAQRR-UHFFFAOYSA-N 1 0 262.382 2.357 40 0 CEABRO Cc1cc(N2CC[NH2+]CC2)nc(-c2cccc(F)c2)n1 ZINC000070451616 363084120 /nfs/dbraw/zinc/08/41/20/363084120.db2.gz JXXOWNHJBFQNAK-UHFFFAOYSA-N 1 0 272.327 2.001 40 0 CEABRO Cn1c2ccccc2nc1C[C@@H](C[NH3+])C(F)(F)F ZINC000575425885 366283916 /nfs/dbraw/zinc/28/39/16/366283916.db2.gz ZWQKOEBSSMTQLL-QMMMGPOBSA-N 1 0 257.259 2.253 40 0 CEABRO CC[N@H+](CCO)C[C@H]1CCCN(Cc2ccccc2)C1 ZINC000079393520 363593737 /nfs/dbraw/zinc/59/37/37/363593737.db2.gz GBGJOVWOEAVFAF-QGZVFWFLSA-N 1 0 276.424 2.213 40 0 CEABRO C[C@H](c1ccc(F)cc1)N(C(=O)[C@H](C)[NH3+])C1CC1 ZINC000079421303 363598727 /nfs/dbraw/zinc/59/87/27/363598727.db2.gz IEEXXKMPAGWLBT-VHSXEESVSA-N 1 0 250.317 2.225 40 0 CEABRO C[NH2+]C1CCC(NC(=O)OCc2ccccc2)CC1 ZINC000079437132 363600280 /nfs/dbraw/zinc/60/02/80/363600280.db2.gz XDCBEZOARUDTIU-UHFFFAOYSA-N 1 0 262.353 2.443 40 0 CEABRO CN(C)CC(C[NH+](C)C)C(=O)c1ccc(Cl)cc1 ZINC000001576480 361208992 /nfs/dbraw/zinc/20/89/92/361208992.db2.gz MNIVXQVWNQBUSH-UHFFFAOYSA-N 1 0 268.788 2.262 40 0 CEABRO CC(C)(C)OC(=O)Nc1ccc(N2CC[NH2+]CC2)cc1 ZINC000008699823 361343749 /nfs/dbraw/zinc/34/37/49/361343749.db2.gz UDZIMDHNXUCYAC-UHFFFAOYSA-N 1 0 277.368 2.443 40 0 CEABRO C[N@@H+]1CCC[C@H](C(=O)NCCC2=CCCCC2)C1 ZINC000082301893 363761698 /nfs/dbraw/zinc/76/16/98/363761698.db2.gz MIRUCWZIVVLJBW-AWEZNQCLSA-N 1 0 250.386 2.335 40 0 CEABRO COc1ccc([C@H]([NH3+])CNC(=O)OC(C)(C)C)c(OC)c1 ZINC000012357119 361379227 /nfs/dbraw/zinc/37/92/27/361379227.db2.gz ZGJWJSYPOVKKER-GFCCVEGCSA-N 1 0 296.367 2.228 40 0 CEABRO CSC(Cc1ccc(C)cc1)=[N+]1CCOCC1 ZINC000016292243 361485986 /nfs/dbraw/zinc/48/59/86/361485986.db2.gz LNIJYBBZJKOCEV-UHFFFAOYSA-N 1 0 250.387 2.342 40 0 CEABRO O=C(Nc1ccccc1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000019141856 361521808 /nfs/dbraw/zinc/52/18/08/361521808.db2.gz CUHHVTMPOPPCEK-UHFFFAOYSA-N 1 0 282.347 2.436 40 0 CEABRO C[C@@H]1CN([C@@H](C[NH3+])c2ccc(F)cc2F)C[C@H](C)O1 ZINC000019257476 361522478 /nfs/dbraw/zinc/52/24/78/361522478.db2.gz FRPCNYBXDUFELS-RBZYPMLTSA-N 1 0 270.323 2.074 40 0 CEABRO [NH3+]Cc1cccc(OCC(=O)Nc2ccc(F)cc2)c1 ZINC000019270339 361524406 /nfs/dbraw/zinc/52/44/06/361524406.db2.gz VDKFMTBWSHTHDD-UHFFFAOYSA-N 1 0 274.295 2.302 40 0 CEABRO COc1ccc2c(c1)c(-c1nc(C)ncc1C[NH3+])cn2C ZINC000019287102 361527218 /nfs/dbraw/zinc/52/72/18/361527218.db2.gz ZZAFCWXKDCDBQO-UHFFFAOYSA-N 1 0 282.347 2.411 40 0 CEABRO COC(=O)[C@H](C[NH3+])c1c[nH]c2cc(Cl)ccc21 ZINC000027762400 361658624 /nfs/dbraw/zinc/65/86/24/361658624.db2.gz QVUWSAQECIFTMS-SECBINFHSA-N 1 0 252.701 2.037 40 0 CEABRO CC(C)N(Cc1cccc(Br)c1)C(=O)C[NH3+] ZINC000032130458 361731642 /nfs/dbraw/zinc/73/16/42/361731642.db2.gz SAXMJNCDDJRLQM-UHFFFAOYSA-N 1 0 285.185 2.145 40 0 CEABRO c1cnc(NCc2cncc3c2CC[N@H+](CC2CC2)C3)nc1 ZINC000096189538 364407225 /nfs/dbraw/zinc/40/72/25/364407225.db2.gz MJHYOSGPQFWXFK-UHFFFAOYSA-N 1 0 295.390 2.252 40 0 CEABRO c1cnc(N2CCC3(C2)CC[NH+](CC2CC2)CC3)nc1 ZINC000096046607 364398774 /nfs/dbraw/zinc/39/87/74/364398774.db2.gz LCQVTZCOHKMWFF-UHFFFAOYSA-N 1 0 272.396 2.179 40 0 CEABRO CC[C@@H](C)[N@H+]1C[C@@H]2[C@H](C1)OCCN2Cc1cccc(C)n1 ZINC000096081820 364400741 /nfs/dbraw/zinc/40/07/41/364400741.db2.gz YMFCTVLMXBBOSO-OIISXLGYSA-N 1 0 289.423 2.074 40 0 CEABRO CC(C)C[N@H+]1C[C@H]2CN(Cc3ccccn3)C[C@H]2C1 ZINC000096161604 364404801 /nfs/dbraw/zinc/40/48/01/364404801.db2.gz HVQGCDBJNSSMQV-GASCZTMLSA-N 1 0 259.397 2.101 40 0 CEABRO CO[C@H]1CC[N@H+](Cc2cnn(C)c2)[C@H]1Cc1ccccc1 ZINC000096200376 364410078 /nfs/dbraw/zinc/41/00/78/364410078.db2.gz NCUFDGSMLJRIFD-IRXDYDNUSA-N 1 0 285.391 2.252 40 0 CEABRO c1cc(C[N@H+]2CC[C@@]3(C[C@H](OCC4CC4)CO3)C2)ccn1 ZINC000096218377 364413321 /nfs/dbraw/zinc/41/33/21/364413321.db2.gz HYDQXXYKNSXRQR-DLBZAZTESA-N 1 0 288.391 2.242 40 0 CEABRO CC[N@@H+]1C[C@@H](COC)[C@]2(CCN(Cc3ccoc3)C2)C1 ZINC000096220065 364415279 /nfs/dbraw/zinc/41/52/79/364415279.db2.gz NLYQIEAQPCLCEY-JKSUJKDBSA-N 1 0 278.396 2.070 40 0 CEABRO c1cc(-c2ncnc3c2CC[N@H+](C[C@H]2CCOC2)CC3)co1 ZINC000096255179 364418825 /nfs/dbraw/zinc/41/88/25/364418825.db2.gz QXVWLJBKJFVSPH-CYBMUJFWSA-N 1 0 299.374 2.174 40 0 CEABRO CCOC(=O)CCC[C@@H]1[NH2+]C[C@H]2CCCN3CCC[C@H]1[C@H]23 ZINC000106536552 364705454 /nfs/dbraw/zinc/70/54/54/364705454.db2.gz OWCMWMIGCIAINN-AIANPOQGSA-N 1 0 294.439 2.182 40 0 CEABRO COCC[C@H]1CCOC12CC[NH+](Cc1ccccn1)CC2 ZINC000585102597 367178015 /nfs/dbraw/zinc/17/80/15/367178015.db2.gz BSIGCIBOYNOWIZ-HNNXBMFYSA-N 1 0 290.407 2.489 40 0 CEABRO Cc1ccc([C@@H]2[C@@H]([NH3+])[C@@H]2S(=O)(=O)c2ccccc2)cc1 ZINC000218444813 370209644 /nfs/dbraw/zinc/20/96/44/370209644.db2.gz MBUUNKJRMFXISU-BZUAXINKSA-N 1 0 287.384 2.262 40 0 CEABRO Cc1ccc(Nc2cc(N3CC[NH2+]CC3)nc(C)n2)cc1 ZINC000217508435 370196185 /nfs/dbraw/zinc/19/61/85/370196185.db2.gz POKXNDLZWPEIQE-UHFFFAOYSA-N 1 0 283.379 2.247 40 0 CEABRO C[C@H]1CCC[N@H+](CCCNC(=S)Nc2ccncc2)C1 ZINC000225738234 370315213 /nfs/dbraw/zinc/31/52/13/370315213.db2.gz QQRWBQPMADYGAC-ZDUSSCGKSA-N 1 0 292.452 2.490 40 0 CEABRO C[C@]12CCCN(Cc3ccccc3C(=O)[O-])[C@@H]1CCC[NH2+]2 ZINC000257269911 371610382 /nfs/dbraw/zinc/61/03/82/371610382.db2.gz MRYCRACWZLSLHS-WBVHZDCISA-N 1 0 288.391 2.491 40 0 CEABRO Cc1c[nH]c([C@@H]2CCCN(c3cc(C)ncn3)C2)n1 ZINC000257261218 371610978 /nfs/dbraw/zinc/61/09/78/371610978.db2.gz LGFPBMUAAZGRQX-GFCCVEGCSA-N 1 0 257.341 2.201 40 0 CEABRO Cc1cccc(N2CCC[C@@H]([N@H+](C)Cc3cnccn3)C2)n1 ZINC000257283741 371611546 /nfs/dbraw/zinc/61/15/46/371611546.db2.gz OZRQOWPLUUNGFS-MRXNPFEDSA-N 1 0 297.406 2.281 40 0 CEABRO COc1ccccc1[C@H]1CN(C(C)=O)CCN1CC1CC1 ZINC000257333294 371613628 /nfs/dbraw/zinc/61/36/28/371613628.db2.gz YAZIIVBFCILWHQ-MRXNPFEDSA-N 1 0 288.391 2.310 40 0 CEABRO CCCn1cc(C[NH2+]Cc2cn(CC)nc2C)c(C)n1 ZINC000256051989 190003895 /nfs/dbraw/zinc/00/38/95/190003895.db2.gz LKRFZFVWKQVOON-UHFFFAOYSA-N 1 0 275.400 2.416 40 0 CEABRO CC[NH+](CC)CCNCc1cnn(C(C)C)c1C ZINC000256052153 190004033 /nfs/dbraw/zinc/00/40/33/190004033.db2.gz MCBVIKKNFAUEEP-UHFFFAOYSA-N 1 0 252.406 2.204 40 0 CEABRO CCCn1cc(C[NH2+]Cc2cnn(CC(F)F)c2)c(C)n1 ZINC000256054398 190005769 /nfs/dbraw/zinc/00/57/69/190005769.db2.gz WCGXAWDYKYJMCE-UHFFFAOYSA-N 1 0 297.353 2.353 40 0 CEABRO OC1(C[N@@H+]2CCC[C@@H]2CCc2ccncc2)CCOCC1 ZINC000257206692 190011710 /nfs/dbraw/zinc/01/17/10/190011710.db2.gz BENWPOZOAKHXDJ-MRXNPFEDSA-N 1 0 290.407 2.020 40 0 CEABRO c1nc2ncccn2c1-c1cccc(C2CC[NH2+]CC2)n1 ZINC000257247566 190019592 /nfs/dbraw/zinc/01/95/92/190019592.db2.gz IZNIKIIIHZIJHS-UHFFFAOYSA-N 1 0 279.347 2.258 40 0 CEABRO Cc1cc(C)n2ncc(C[N@@H+]3CC[C@H](c4cc[nH]n4)C3)c2n1 ZINC000257251850 190019917 /nfs/dbraw/zinc/01/99/17/190019917.db2.gz JSNBNUQNOBRHKI-ZDUSSCGKSA-N 1 0 296.378 2.059 40 0 CEABRO CN(C)C(=O)C[N@@H+]1CC[C@H](Cc2ccnc3ccccc23)C1 ZINC000257256364 190021277 /nfs/dbraw/zinc/02/12/77/190021277.db2.gz KLCJDKOBQAQGAY-CQSZACIVSA-N 1 0 297.402 2.187 40 0 CEABRO CC(C)[NH+]1CCC(c2cnc(-c3cc[nH]n3)cn2)CC1 ZINC000257296645 190028260 /nfs/dbraw/zinc/02/82/60/190028260.db2.gz RDSPCEBYDBFQSA-UHFFFAOYSA-N 1 0 271.368 2.455 40 0 CEABRO COc1ccccc1C(=O)N1CCC[C@H]2[NH2+]CCCC[C@@H]21 ZINC000257293854 190028275 /nfs/dbraw/zinc/02/82/75/190028275.db2.gz QRMGOXXKEALENW-CABCVRRESA-N 1 0 288.391 2.442 40 0 CEABRO C[N@@H+]1CCC[C@H]1c1ccnc(C(=O)NCC2CCC2)c1 ZINC000257299065 190029280 /nfs/dbraw/zinc/02/92/80/190029280.db2.gz ROPNACTUHTXGMR-HNNXBMFYSA-N 1 0 273.380 2.378 40 0 CEABRO CNC(=O)C[N@@H+]1CCC[C@H](Cc2ccnc3ccccc23)C1 ZINC000257301960 190030070 /nfs/dbraw/zinc/03/00/70/190030070.db2.gz SATMQXTYDLJWBH-CQSZACIVSA-N 1 0 297.402 2.235 40 0 CEABRO Cc1c[nH]c([C@@H]2CC[N@H+](Cc3cccc(C)n3)C2)n1 ZINC000257314831 190032417 /nfs/dbraw/zinc/03/24/17/190032417.db2.gz UYQYGLOYQGJEBG-CYBMUJFWSA-N 1 0 256.353 2.411 40 0 CEABRO c1csc(Nc2cnc([C@@H]3CCC[NH2+]C3)cn2)n1 ZINC000257335221 190036144 /nfs/dbraw/zinc/03/61/44/190036144.db2.gz YJELNMAJGQOLNF-SECBINFHSA-N 1 0 261.354 2.144 40 0 CEABRO Cc1c[nH]c([C@@H]2CCC[N@H+](Cc3cnc(C)nc3)C2)n1 ZINC000257336817 190036200 /nfs/dbraw/zinc/03/62/00/190036200.db2.gz YQDWZIKPSZRBOA-CQSZACIVSA-N 1 0 271.368 2.196 40 0 CEABRO Cc1c[nH]c([C@H]2CC[N@@H+](Cc3nccn3C(C)C)C2)n1 ZINC000257341307 190037081 /nfs/dbraw/zinc/03/70/81/190037081.db2.gz ZJTUOMNAJHRKDQ-ZDUSSCGKSA-N 1 0 273.384 2.485 40 0 CEABRO Cc1nn(C)c(C)c1-c1cnc(CC2CC[NH2+]CC2)cn1 ZINC000257341743 190037259 /nfs/dbraw/zinc/03/72/59/190037259.db2.gz ZLUAHNKDGNTOHX-UHFFFAOYSA-N 1 0 285.395 2.036 40 0 CEABRO O=C(N[C@]1(C(F)(F)F)CC[NH2+]C1)OCc1ccccc1 ZINC000259896298 190038745 /nfs/dbraw/zinc/03/87/45/190038745.db2.gz OGGWUDKKVMURTA-GFCCVEGCSA-N 1 0 288.269 2.207 40 0 CEABRO C[C@@H]1C[C@@H](C[NH3+])CN(C(=O)OCc2ccccc2)C1 ZINC000261509022 190040695 /nfs/dbraw/zinc/04/06/95/190040695.db2.gz ZCTLPMZIDJNCMP-OCCSQVGLSA-N 1 0 262.353 2.240 40 0 CEABRO COc1ccccc1-c1cnc2n1CC[C@@]21CC[NH2+]C1 ZINC000306133992 376540346 /nfs/dbraw/zinc/54/03/46/376540346.db2.gz NBFIWEHMIHJJQO-MRXNPFEDSA-N 1 0 269.348 2.194 40 0 CEABRO CNc1nc(NCc2ccc(F)c(F)c2)cc(C2CC2)[nH+]1 ZINC000329066365 376929339 /nfs/dbraw/zinc/92/93/39/376929339.db2.gz YANSNEUXGAGDBH-UHFFFAOYSA-N 1 0 290.317 2.130 40 0 CEABRO C[C@H]1C[C@@H](c2nc(Cc3cncs3)no2)CC[N@@H+]1C ZINC000333873858 380169349 /nfs/dbraw/zinc/16/93/49/380169349.db2.gz SLJAEIDRJMUJCP-UWVGGRQHSA-N 1 0 278.381 2.315 40 0 CEABRO COC[C@@H]1COCCC12CC[NH+](Cc1ccncc1)CC2 ZINC000096106262 285305343 /nfs/dbraw/zinc/30/53/43/285305343.db2.gz GGRVZRCDXBICJA-MRXNPFEDSA-N 1 0 290.407 2.347 40 0 CEABRO Cc1cc([C@@H]2CCCC[N@H+]2C)cnc1N1CCOCC1 ZINC000072219354 256707659 /nfs/dbraw/zinc/70/76/59/256707659.db2.gz PVFLDBQEPOWSBI-HNNXBMFYSA-N 1 0 275.396 2.383 40 0 CEABRO C[N@@H+]1C[C@@H](CO)C[C@H]2c3cccc4[nH]cc(c43)C[C@@H]21 ZINC000005525668 394458145 /nfs/dbraw/zinc/45/81/45/394458145.db2.gz UFKTZIXVYHGAES-XEGUGMAKSA-N 1 0 256.349 2.120 40 0 CEABRO CC[C@H](O)c1cnc(N2CC[NH+](C(C)C)CC2)cc1C ZINC000072223707 394594681 /nfs/dbraw/zinc/59/46/81/394594681.db2.gz JQOKNYOVQXEUGG-HNNXBMFYSA-N 1 0 277.412 2.364 40 0 CEABRO C[N@@H+]1[C@H](Cc2ccccc2)C[C@@H]2NC(=O)CCCC[C@H]21 ZINC000257314795 394595378 /nfs/dbraw/zinc/59/53/78/394595378.db2.gz UYMADQTZQSNKRL-OWCLPIDISA-N 1 0 272.392 2.361 40 0 CEABRO COC(=O)[C@H]1C[C@@H]2Cc3c4ccccc4[nH]c3C[N@@H+]2C1 ZINC000095828946 394674527 /nfs/dbraw/zinc/67/45/27/394674527.db2.gz OVDBJAVMIFIMFA-WDEREUQCSA-N 1 0 270.332 2.088 40 0 CEABRO Cc1ccc([C@H]2C[C@@H](O)[C@@H](O)[C@@H]2[NH+]2CCCCC2)cc1 ZINC000072321698 292276934 /nfs/dbraw/zinc/27/69/34/292276934.db2.gz MEGYAWWYAYFVBX-QBPKDAKJSA-N 1 0 275.392 2.059 40 0 biogenic,in-vitro CEABRO C[NH+](C)CCn1c(=O)c2ccccc2n1-c1ccccc1 ZINC000005535390 170110164 /nfs/dbraw/zinc/11/01/64/170110164.db2.gz DTJIANJONHUZRK-UHFFFAOYSA-N 1 0 281.359 2.354 40 0 CEABRO CC[C@H](C)c1ccccc1OC[C@@H](O)C[NH2+][C@@H](CC)CO ZINC000006449927 170201816 /nfs/dbraw/zinc/20/18/16/170201816.db2.gz LSOWXZOSDLPNHO-KKUMJFAQSA-N 1 0 295.423 2.300 40 0 CEABRO [NH3+][C@H](Cc1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2 ZINC000006567387 170214351 /nfs/dbraw/zinc/21/43/51/170214351.db2.gz URJXLWUNHQDURA-GFCCVEGCSA-N 1 0 285.299 2.387 40 0 CEABRO C[C@H](SCc1ccccc1)C(=O)NCCC[NH+](C)C ZINC000013649152 170573060 /nfs/dbraw/zinc/57/30/60/170573060.db2.gz SHHZFCUFVSBIMN-ZDUSSCGKSA-N 1 0 280.437 2.376 40 0 CEABRO [NH3+][C@@H](Cc1nc(-c2ccncc2)no1)c1ccccc1 ZINC000020551794 171247394 /nfs/dbraw/zinc/24/73/94/171247394.db2.gz 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CNC(=O)[C@@]1(C)CCC[N@H+](CCc2ccccc2)C1 ZINC000072363744 277246940 /nfs/dbraw/zinc/24/69/40/277246940.db2.gz QWHWSTJRZRVUHJ-INIZCTEOSA-N 1 0 260.381 2.077 40 0 CEABRO CNC(=O)c1sc2nc([C@@H]3CCC[N@@H+]3C)ccc2c1N ZINC000257328138 277262406 /nfs/dbraw/zinc/26/24/06/277262406.db2.gz XEIIAEWHJZFPKD-JTQLQIEISA-N 1 0 290.392 2.005 40 0 CEABRO C[C@@H]1[NH2+]CC=CC[C@@H]1C(=O)N1CCc2ccccc2C1 ZINC000019462291 279029817 /nfs/dbraw/zinc/02/98/17/279029817.db2.gz YJXLKGJUYSIITG-BBRMVZONSA-N 1 0 270.376 2.126 40 0 CEABRO COc1ccc([C@]23CCC(=O)N2[C@@H]2CCCC[C@@H]2[NH2+]3)cc1 ZINC000059605619 295253114 /nfs/dbraw/zinc/25/31/14/295253114.db2.gz ZCQCHXXNRLTQGO-UXLLHSPISA-N 1 0 286.375 2.385 40 0 CEABRO COc1ccc(OC)c(N2CC[NH2+][C@@H]3CCCC[C@H]32)c1 ZINC000218834674 333136891 /nfs/dbraw/zinc/13/68/91/333136891.db2.gz ULHVNLJGQYCJMY-ZIAGYGMSSA-N 1 0 276.380 2.425 40 0 CEABRO COc1ccc(CCN2CC[NH2+][C@@H]3CCC[C@@H]32)cc1 ZINC000225715898 333182226 /nfs/dbraw/zinc/18/22/26/333182226.db2.gz 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ZINC000019766858 343374504 /nfs/dbraw/zinc/37/45/04/343374504.db2.gz HNMDWHSVFKSBLD-CQSZACIVSA-N 1 0 288.395 2.272 40 0 CEABRO NC(=[NH2+])Cc1cn(CCF)nc1-c1ccsc1 ZINC000409437249 344889203 /nfs/dbraw/zinc/88/92/03/344889203.db2.gz FGHQUAMALJXSEA-UHFFFAOYSA-N 1 0 252.318 2.060 40 0 CEABRO CC(C)CC[N@@H+]1C[C@H]2CN(c3ncccn3)CC[C@@H]21 ZINC000585107981 345006114 /nfs/dbraw/zinc/00/61/14/345006114.db2.gz PYXNWZCQMGQFSB-KBPBESRZSA-N 1 0 260.385 2.033 40 0 CEABRO Cc1n[nH]c(C)c1-c1cnc(C2CC[NH+](C)CC2)cn1 ZINC000585180223 345008960 /nfs/dbraw/zinc/00/89/60/345008960.db2.gz ONPDECYKKRAQKI-UHFFFAOYSA-N 1 0 271.368 2.293 40 0 CEABRO C[C@H]1C[NH2+]CCN1C(=O)c1ccc(C(C)(C)C)cc1 ZINC000054370279 362532501 /nfs/dbraw/zinc/53/25/01/362532501.db2.gz GANBHQMEENLVLD-LBPRGKRZSA-N 1 0 260.381 2.418 40 0 CEABRO C[C@H]1CN(C(=O)c2cc(Cl)cc(Cl)c2)CC[NH2+]1 ZINC000067799890 362924186 /nfs/dbraw/zinc/92/41/86/362924186.db2.gz WIZBBCZMOBEZOX-QMMMGPOBSA-N 1 0 273.163 2.427 40 0 CEABRO CC(C)(C)OC(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000067801242 362925813 /nfs/dbraw/zinc/92/58/13/362925813.db2.gz MAWYJNZAUNFJEL-UHFFFAOYSA-N 1 0 298.427 2.402 40 0 CEABRO CC(C)C(=O)N1C[C@H]2[C@@H](CN2Cc2cccc(F)c2)C1 ZINC000107816106 186192362 /nfs/dbraw/zinc/19/23/62/186192362.db2.gz YLFZEFXBYIFKLD-ZFWWWQNUSA-N 1 0 276.355 2.124 40 0 CEABRO Cc1cncc(C(=O)N2CCC3(CC([NH+](C)C)C3)CC2)c1 ZINC000108528832 186222253 /nfs/dbraw/zinc/22/22/53/186222253.db2.gz RHDAHCWEVIJZTQ-UHFFFAOYSA-N 1 0 287.407 2.336 40 0 CEABRO CNC(=O)c1sc2ccccc2c1[C@@H]1CC[NH2+]C1 ZINC000072343411 363129218 /nfs/dbraw/zinc/12/92/18/363129218.db2.gz VEZSSWGJEDLHCJ-SECBINFHSA-N 1 0 260.362 2.338 40 0 CEABRO Cc1cc(=O)oc2cc(NC(=O)[C@H]([NH3+])C(C)C)ccc12 ZINC000098044081 539958837 /nfs/dbraw/zinc/95/88/37/539958837.db2.gz WIGTYBCYMMYYGJ-CQSZACIVSA-N 1 0 274.320 2.023 40 0 CEABRO C[C@@H]1CC([NH2+][C@@H](CO)Cc2ccccc2)C[C@H](C)O1 ZINC000152691853 188036710 /nfs/dbraw/zinc/03/67/10/188036710.db2.gz JLBJTPDMPNMNQW-MRKMAMSISA-N 1 0 263.381 2.136 40 0 CEABRO COP(=O)(OC)[C@@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC000073410451 363216383 /nfs/dbraw/zinc/21/63/83/363216383.db2.gz JWIPRQFWGXJFFN-GFCCVEGCSA-N 1 0 268.253 2.481 40 0 CEABRO CC(C)(C)OC(=O)N1CC[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000075629532 363479439 /nfs/dbraw/zinc/47/94/39/363479439.db2.gz NXUPFJYYZIGTJY-DTWKUNHWSA-N 1 0 282.306 2.381 40 0 CEABRO CC(C)(C)OC(=O)N[C@H]1CC[NH2+]C[C@H]1C(F)(F)F ZINC000077034350 363546320 /nfs/dbraw/zinc/54/63/20/363546320.db2.gz PIARTJWWYHJFTF-SFYZADRCSA-N 1 0 268.279 2.052 40 0 CEABRO CC[C@@H](C)[C@H]([NH3+])C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000098092031 538807620 /nfs/dbraw/zinc/80/76/20/538807620.db2.gz MLILEIUKVIPULY-PSLIRLAXSA-N 1 0 288.347 2.413 40 0 CEABRO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000098092033 538808110 /nfs/dbraw/zinc/80/81/10/538808110.db2.gz MLILEIUKVIPULY-BJOHPYRUSA-N 1 0 288.347 2.413 40 0 CEABRO Cc1ccccc1CN(C(=O)[C@@H]([NH3+])C(C)C)C1CC1 ZINC000079420656 363598735 /nfs/dbraw/zinc/59/87/35/363598735.db2.gz QZSGLVPPOCHIAY-HNNXBMFYSA-N 1 0 260.381 2.469 40 0 CEABRO CC(C)N(C(=O)OCc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000079437822 363599878 /nfs/dbraw/zinc/59/98/78/363599878.db2.gz KYSKSUYKGAKTHZ-AWEZNQCLSA-N 1 0 262.353 2.396 40 0 CEABRO CCOC(=O)c1ccc(NC(=O)[C@H]2CCC[N@H+](C)C2)cc1 ZINC000081223415 363706432 /nfs/dbraw/zinc/70/64/32/363706432.db2.gz BJHHWNNCPGMSSF-ZDUSSCGKSA-N 1 0 290.363 2.144 40 0 CEABRO CC[NH+](CC)C[C@H](O)CNc1c(C)cccc1C ZINC000001666052 361215318 /nfs/dbraw/zinc/21/53/18/361215318.db2.gz NRYNRXDYDDRQQP-CQSZACIVSA-N 1 0 250.386 2.418 40 0 CEABRO COc1ccc2c(c1)CC[N@H+]([C@H]1CCC[C@H](O)C1)C2 ZINC000001672615 361215831 /nfs/dbraw/zinc/21/58/31/361215831.db2.gz FWTBJEAJFRCRAA-GJZGRUSLSA-N 1 0 261.365 2.357 40 0 CEABRO CCC[C@H](O)C[NH2+]Cc1ccnc2ccc(OC)cc12 ZINC000001706289 361218704 /nfs/dbraw/zinc/21/87/04/361218704.db2.gz YRZUVEVNOYPHKJ-ZDUSSCGKSA-N 1 0 274.364 2.494 40 0 CEABRO COc1ccc(CC[NH2+]Cc2cnn(C)c2C)cc1OC ZINC000002536446 361239949 /nfs/dbraw/zinc/23/99/49/361239949.db2.gz JSGZRHDJWYBGPK-UHFFFAOYSA-N 1 0 289.379 2.078 40 0 CEABRO Clc1cccc(Cl)c1OC[C@H]1C[NH2+]CCO1 ZINC000011587468 361359850 /nfs/dbraw/zinc/35/98/50/361359850.db2.gz HRMLRPDFYGVAAF-MRVPVSSYSA-N 1 0 262.136 2.361 40 0 CEABRO Cc1cc(C)n(-c2cccc(C[N@@H+]3CC[C@@H](CO)C3)c2)n1 ZINC000012182978 361374592 /nfs/dbraw/zinc/37/45/92/361374592.db2.gz PWVVSECIEMSCFF-MRXNPFEDSA-N 1 0 285.391 2.303 40 0 CEABRO C[N@@H+]1CCC[C@@H](NC(=O)c2cc(-c3cccs3)no2)C1 ZINC000012183381 361376140 /nfs/dbraw/zinc/37/61/40/361376140.db2.gz WXDRKDWXONLYAI-SNVBAGLBSA-N 1 0 291.376 2.227 40 0 CEABRO O=C(N[C@@H]1C[NH+]2CCC1CC2)c1ncoc1-c1ccccc1 ZINC000012338294 361377224 /nfs/dbraw/zinc/37/72/24/361377224.db2.gz HZZNYUAKIAJCBR-CQSZACIVSA-N 1 0 297.358 2.166 40 0 CEABRO C[NH+]1CCC(NC(=S)Nc2ccccc2F)CC1 ZINC000013775540 361442268 /nfs/dbraw/zinc/44/22/68/361442268.db2.gz WGCXRROUSVQABO-UHFFFAOYSA-N 1 0 267.373 2.206 40 0 CEABRO Cc1n(C)c(Br)c([C@H](O)c2ccccc2)[n+]1C ZINC000017022425 361502772 /nfs/dbraw/zinc/50/27/72/361502772.db2.gz XUSHRWJXQRAPFP-GFCCVEGCSA-N 1 0 296.188 2.002 40 0 CEABRO OC[C@@H]1CCC[N@H+](Cc2c[nH]nc2-c2cccs2)C1 ZINC000019343909 361528399 /nfs/dbraw/zinc/52/83/99/361528399.db2.gz WKDVEJYTSKGIDE-LLVKDONJSA-N 1 0 277.393 2.343 40 0 CEABRO COc1cc(OC)cc([C@@H](C[NH3+])N2CCCCC2)c1 ZINC000019840934 361560401 /nfs/dbraw/zinc/56/04/01/361560401.db2.gz FXTOQZJJOJZYFO-OAHLLOKOSA-N 1 0 264.369 2.190 40 0 CEABRO CC(C)(C)OC(=O)NC[C@H]([NH3+])c1ccc(F)cc1F ZINC000019796215 361554246 /nfs/dbraw/zinc/55/42/46/361554246.db2.gz CULXFYUFHJLKAM-NSHDSACASA-N 1 0 272.295 2.489 40 0 CEABRO Cc1cc(C)c(C)c(O[C@@H](C)C(=O)NCC[NH+](C)C)c1 ZINC000030752491 361703136 /nfs/dbraw/zinc/70/31/36/361703136.db2.gz UPOODTYHEQNHSB-AWEZNQCLSA-N 1 0 278.396 2.057 40 0 CEABRO COC(=O)[C@H]1C[C@H]2c3[nH]c4ccccc4c3CC[N@H+]2C1 ZINC000031719760 361716849 /nfs/dbraw/zinc/71/68/49/361716849.db2.gz XKJYWJCEEMLZSB-HZMBPMFUSA-N 1 0 270.332 2.260 40 0 CEABRO Cn1ccnc1CN1CC[C@@H]([NH+](C)C)[C@@H]1Cc1ccccc1 ZINC000096200798 364410089 /nfs/dbraw/zinc/41/00/89/364410089.db2.gz RBLGUNAWDUFKJY-SJORKVTESA-N 1 0 298.434 2.167 40 0 CEABRO COC[C@H]1C(=O)NCC12CC[NH+](CC1CCCCC1)CC2 ZINC000096208200 364410206 /nfs/dbraw/zinc/41/02/06/364410206.db2.gz KMVATKKRIWTQCY-HNNXBMFYSA-N 1 0 294.439 2.041 40 0 CEABRO C[N@@H+]1CC[C@]2(c3ccccc3)CCN(C(=O)NC3CC3)C[C@H]12 ZINC000096251832 364415965 /nfs/dbraw/zinc/41/59/65/364415965.db2.gz UHTREDXJIPCEJL-FUHWJXTLSA-N 1 0 299.418 2.206 40 0 CEABRO CCOc1ncnc2c1CC[N@H+](Cc1ccco1)CC2 ZINC000096255595 364418425 /nfs/dbraw/zinc/41/84/25/364418425.db2.gz CVZMLRKOAQXMAZ-UHFFFAOYSA-N 1 0 273.336 2.069 40 0 CEABRO Cc1ccccc1O[C@@H](C)C(=O)NCCC[NH+]1CCCC1 ZINC000216362869 189703915 /nfs/dbraw/zinc/70/39/15/189703915.db2.gz ZDEGRBRTIWFRFT-HNNXBMFYSA-N 1 0 290.407 2.364 40 0 CEABRO COc1cccc(CC[NH2+]Cc2cnn(C)c2C)c1 ZINC000160183652 366979403 /nfs/dbraw/zinc/97/94/03/366979403.db2.gz TVNVLURGWWUNKP-UHFFFAOYSA-N 1 0 259.353 2.069 40 0 CEABRO O=C(C1CC(F)C1)N1CC[C@]2(CCC[N@@H+]2CC2CC2)C1 ZINC000585099446 367177288 /nfs/dbraw/zinc/17/72/88/367177288.db2.gz JQWITSVSWLRZDA-ZBCRRDGASA-N 1 0 280.387 2.211 40 0 CEABRO C[C@@H]1c2ncc(CCOCc3cccnc3)n2CC[N@H+]1C ZINC000585098498 367177363 /nfs/dbraw/zinc/17/73/63/367177363.db2.gz UFFJNVXQLWWGEF-CYBMUJFWSA-N 1 0 286.379 2.044 40 0 CEABRO CCCC(=O)N1CC2(C1)CC[C@@H](C[NH+]1CCCCC1)CO2 ZINC000585093684 367177944 /nfs/dbraw/zinc/17/79/44/367177944.db2.gz SQNFXNNPRLJIJC-HNNXBMFYSA-N 1 0 294.439 2.280 40 0 CEABRO C[C@@H](c1ccccc1)[N@@H+]1CCC[C@]2(CN(C)C2=O)C1 ZINC000585099434 367178242 /nfs/dbraw/zinc/17/82/42/367178242.db2.gz JIYHEDORYCDKBB-BBRMVZONSA-N 1 0 258.365 2.302 40 0 CEABRO CCN1c2ccc(SCC[NH3+])cc2CCC1=O ZINC000218811760 370212853 /nfs/dbraw/zinc/21/28/53/370212853.db2.gz LPVITGLOVXGCCC-UHFFFAOYSA-N 1 0 250.367 2.037 40 0 CEABRO C[NH+](C)CCCNC(=O)COc1cccc2c1CCCC2 ZINC000223844073 370272083 /nfs/dbraw/zinc/27/20/83/370272083.db2.gz MSODVUZSJWMPEQ-UHFFFAOYSA-N 1 0 290.407 2.012 40 0 CEABRO CO[C@H]1Cn2nccc2C[N@H+](Cc2cccc3[nH]ccc32)C1 ZINC000247887421 371145007 /nfs/dbraw/zinc/14/50/07/371145007.db2.gz RYHGMHMVWRJVIR-OAHLLOKOSA-N 1 0 296.374 2.395 40 0 CEABRO Cc1c[nH]nc1C[C@H]1CCCN(c2cc(C)ncn2)C1 ZINC000257208300 371609686 /nfs/dbraw/zinc/60/96/86/371609686.db2.gz BLNMVEINAAUBGK-CYBMUJFWSA-N 1 0 271.368 2.276 40 0 CEABRO Cc1cc(N2CC[N@@H+](C)[C@H](c3ccccc3)C2)ncn1 ZINC000257217076 371610951 /nfs/dbraw/zinc/61/09/51/371610951.db2.gz CXHHMRUFGVVSGO-HNNXBMFYSA-N 1 0 268.364 2.278 40 0 CEABRO CC(C)OCCC[NH2+]Cc1cnn(CC(F)(F)F)c1 ZINC000256054084 190004874 /nfs/dbraw/zinc/00/48/74/190004874.db2.gz UWQIRSIZJKEEBS-UHFFFAOYSA-N 1 0 279.306 2.350 40 0 CEABRO CCCn1cc(C[NH2+]Cc2cnn(CC(F)F)c2)cn1 ZINC000256053304 190004685 /nfs/dbraw/zinc/00/46/85/190004685.db2.gz QXHODIRSORZHJZ-UHFFFAOYSA-N 1 0 283.326 2.045 40 0 CEABRO C[NH+](C)Cc1ccnc([C@@H]2CCCN2Cc2cccnc2)n1 ZINC000257200976 190010566 /nfs/dbraw/zinc/01/05/66/190010566.db2.gz AFPSRUACCFZLDS-INIZCTEOSA-N 1 0 297.406 2.270 40 0 CEABRO O=C1CCCC[C@@H]2[NH2+][C@@H](Cc3ccc(F)cc3)C[C@H]2N1 ZINC000257206444 190011751 /nfs/dbraw/zinc/01/17/51/190011751.db2.gz BDLOWNOFTHBRBV-SOUVJXGZSA-N 1 0 276.355 2.158 40 0 CEABRO Cc1cc(-c2cccc(C[C@H]3CC[N@@H+](C)C3)n2)n[nH]1 ZINC000257228237 190015861 /nfs/dbraw/zinc/01/58/61/190015861.db2.gz FSYXVKKUTKPCQJ-GFCCVEGCSA-N 1 0 256.353 2.274 40 0 CEABRO COc1ncc(C[NH+]2CCC(Cc3ccncc3)CC2)cn1 ZINC000257240150 190018299 /nfs/dbraw/zinc/01/82/99/190018299.db2.gz HSFRAQBQDUXNEE-UHFFFAOYSA-N 1 0 298.390 2.335 40 0 CEABRO O=C1CCCC[C@H]2[NH2+][C@H](Cc3cccc(F)c3)C[C@@H]2N1 ZINC000257246625 190019017 /nfs/dbraw/zinc/01/90/17/190019017.db2.gz IUZOERVIMXSIOM-KFWWJZLASA-N 1 0 276.355 2.158 40 0 CEABRO CCC(=O)N(c1ccccc1)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC000257266369 190023583 /nfs/dbraw/zinc/02/35/83/190023583.db2.gz MCRNPOVLGHTXMA-OAHLLOKOSA-N 1 0 288.391 2.341 40 0 CEABRO CN(C)C(=O)C[N@@H+]1CC[C@@H](Cc2ccnc3ccccc23)C1 ZINC000257256363 190021725 /nfs/dbraw/zinc/02/17/25/190021725.db2.gz KLCJDKOBQAQGAY-AWEZNQCLSA-N 1 0 297.402 2.187 40 0 CEABRO CC[NH+]1CCC(N2CCC[C@H]2c2cncc(NC)n2)CC1 ZINC000257279022 190025441 /nfs/dbraw/zinc/02/54/41/190025441.db2.gz OERJLGCCLVYGMV-HNNXBMFYSA-N 1 0 289.427 2.140 40 0 CEABRO CCN1CCC([N@@H+]2CCC[C@@H](Cc3cc[nH]n3)C2)CC1 ZINC000257279207 190025656 /nfs/dbraw/zinc/02/56/56/190025656.db2.gz OFNJQCAGCXYEDY-AWEZNQCLSA-N 1 0 276.428 2.149 40 0 CEABRO Cc1c[nH]c([C@H]2CC[N@H+](Cc3ccc4c(c3)OCCO4)C2)n1 ZINC000257302311 190030120 /nfs/dbraw/zinc/03/01/20/190030120.db2.gz SCLOOZZVXGRDNI-AWEZNQCLSA-N 1 0 299.374 2.479 40 0 CEABRO CNc1cc([C@H]2CCC[N@H+](Cc3cnc[nH]3)C2)ccn1 ZINC000257306601 190031028 /nfs/dbraw/zinc/03/10/28/190031028.db2.gz SUZQPSZYLGEKGB-ZDUSSCGKSA-N 1 0 271.368 2.226 40 0 CEABRO Cc1nccnc1CC[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000257311252 190032024 /nfs/dbraw/zinc/03/20/24/190032024.db2.gz UIRQYHKKPBEYEY-OAHLLOKOSA-N 1 0 275.396 2.361 40 0 CEABRO Cc1cc(C)nc(Nc2cc(C)nc([C@@H]3CCC[NH2+]3)n2)n1 ZINC000257310945 190032051 /nfs/dbraw/zinc/03/20/51/190032051.db2.gz UHHKFBAKXNYJMS-LBPRGKRZSA-N 1 0 284.367 2.360 40 0 CEABRO CC[NH+]1CCC(N2CC[C@H](c3nc(C)cc(C)n3)C2)CC1 ZINC000257313417 190032091 /nfs/dbraw/zinc/03/20/91/190032091.db2.gz USHNNOOJYFGJOY-HNNXBMFYSA-N 1 0 288.439 2.367 40 0 CEABRO CCn1cc(-c2cncc(CC3CC[NH+](C)CC3)n2)cn1 ZINC000257339512 190036851 /nfs/dbraw/zinc/03/68/51/190036851.db2.gz ZCAXXHYZSBXCAF-UHFFFAOYSA-N 1 0 285.395 2.244 40 0 CEABRO CCCn1nccc1-c1cc(CC2CC[NH2+]CC2)ncn1 ZINC000257341811 190037051 /nfs/dbraw/zinc/03/70/51/190037051.db2.gz ZMBPXIMQGHUHLN-UHFFFAOYSA-N 1 0 285.395 2.292 40 0 CEABRO C[C@@H]1CC[NH2+]CC[C@H]1NC(=O)OCc1ccccc1 ZINC000261507378 190040211 /nfs/dbraw/zinc/04/02/11/190040211.db2.gz HWLRDBIWEWMSFI-TZMCWYRMSA-N 1 0 262.353 2.301 40 0 CEABRO CCC[N@@H+]1CC[C@@](C)(O)[C@@H](NC(C)=O)[C@@H]1c1ccccc1 ZINC000514289045 379130043 /nfs/dbraw/zinc/13/00/43/379130043.db2.gz FKNOUTVFSJYEMD-YESZJQIVSA-N 1 0 290.407 2.099 40 0 biogenic,in-vitro CEABRO O=c1[nH]c2c(s1)CCC[C@H]2C[NH+]1CCCCC1 ZINC000004748336 285197839 /nfs/dbraw/zinc/19/78/39/285197839.db2.gz TWJMLASFDJYHCG-JTQLQIEISA-N 1 0 252.383 2.342 40 0 CEABRO C[C@H]([C@@H]([NH3+])c1ccc(Cl)cc1Cl)S(C)(=O)=O ZINC000096524798 256730874 /nfs/dbraw/zinc/73/08/74/256730874.db2.gz CRSGAXNLFOHEJE-LHLIQPBNSA-N 1 0 282.192 2.426 40 0 CEABRO CC[C@H]([NH3+])c1ccc(I)nc1C ZINC000072219685 256707495 /nfs/dbraw/zinc/70/74/95/256707495.db2.gz ZJNRNKBAZOLTMS-QMMMGPOBSA-N 1 0 276.121 2.404 40 0 CEABRO C/C=C1\C[N@@H+]2CC[C@]34c5ccccc5N[C@H]3[C@@H](CO)[C@H]1C[C@H]24 ZINC000004000056 394454082 /nfs/dbraw/zinc/45/40/82/394454082.db2.gz GNFMIIWVXDLWDU-ODYUKXNZSA-N 1 0 296.414 2.381 40 0 CEABRO CC[N@@H+]1CCC[C@H]1c1cnc(N2CCOCC2)cc1C ZINC000072219392 394594297 /nfs/dbraw/zinc/59/42/97/394594297.db2.gz UZIOCKPUEFRHDM-HNNXBMFYSA-N 1 0 275.396 2.383 40 0 CEABRO O=C1[C@@H]2C[N@H+](Cc3ccoc3)C[C@H]2CN1c1ccccc1 ZINC000247754059 394535396 /nfs/dbraw/zinc/53/53/96/394535396.db2.gz UYUUZRNEUPLYLI-GOEBONIOSA-N 1 0 282.343 2.374 40 0 CEABRO O=C(Nc1ccccc1)c1conc1[C@H]1CCC[NH2+]C1 ZINC000072208453 394592038 /nfs/dbraw/zinc/59/20/38/394592038.db2.gz HUGZISUMNIDISK-NSHDSACASA-N 1 0 271.320 2.394 40 0 CEABRO COc1ccc(NCc2n[nH]c([C@H]([NH3+])C(C)C)n2)cc1 ZINC000095534735 394672950 /nfs/dbraw/zinc/67/29/50/394672950.db2.gz GPQMGHDYNNIQFZ-CYBMUJFWSA-N 1 0 275.356 2.081 40 0 CEABRO Cn1cc(C[NH2+]C[C@H]2Cn3ccnc3CO2)c2ccccc21 ZINC000096296281 394679311 /nfs/dbraw/zinc/67/93/11/394679311.db2.gz QVDCFEMNQVVMNZ-AWEZNQCLSA-N 1 0 296.374 2.063 40 0 biogenic,in-vitro CEABRO Cc1cccc2cc(C[NH2+]C[C@@H]3CCCO3)c(=O)[nH]c12 ZINC000004131502 169936624 /nfs/dbraw/zinc/93/66/24/169936624.db2.gz GCYAJNUTJNAIKT-AWEZNQCLSA-N 1 0 272.348 2.105 40 0 CEABRO C[C@H]1CCCC[N@@H+]1C[C@H](O)COc1ccc(F)cc1 ZINC000006007985 170168002 /nfs/dbraw/zinc/16/80/02/170168002.db2.gz WWQSPLICWQFGRY-JSGCOSHPSA-N 1 0 267.344 2.440 40 0 CEABRO C[N@@H+]1CCC[C@H](CNC(=S)NC2CCCCC2)C1 ZINC000009876487 170388472 /nfs/dbraw/zinc/38/84/72/170388472.db2.gz BDYLCLLFPJYFFA-GFCCVEGCSA-N 1 0 269.458 2.125 40 0 CEABRO Cc1cccc(OC[C@H](O)C[NH2+]CC(C)C)c1C ZINC000026780452 171499341 /nfs/dbraw/zinc/49/93/41/171499341.db2.gz NUQKPXGRCAFEKE-CQSZACIVSA-N 1 0 251.370 2.289 40 0 CEABRO CCc1ccccc1O[C@@H](C)C(=O)NCCC[NH+](C)C ZINC000044885966 175270207 /nfs/dbraw/zinc/27/02/07/175270207.db2.gz DBBLCKIVNUIHLD-ZDUSSCGKSA-N 1 0 278.396 2.084 40 0 CEABRO [NH3+]C1(Cc2cccc(Br)c2)CCOCC1 ZINC000063077191 175681900 /nfs/dbraw/zinc/68/19/00/175681900.db2.gz QIFHGFTZVBVCOE-UHFFFAOYSA-N 1 0 270.170 2.500 40 0 CEABRO O=C(C[NH+]1CCCC1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000072346727 176373047 /nfs/dbraw/zinc/37/30/47/176373047.db2.gz KKJHMIZVTFRYDG-OAHLLOKOSA-N 1 0 298.390 2.322 40 0 CEABRO OCc1cccc(-c2cc(CC[C@@H]3CCC[NH2+]3)ncn2)c1 ZINC000072365251 176380562 /nfs/dbraw/zinc/38/05/62/176380562.db2.gz FETHYRUAVOCMDD-HNNXBMFYSA-N 1 0 283.375 2.321 40 0 CEABRO NC(=O)c1ccc(Oc2ccnc(C3CC[NH2+]CC3)c2)cc1 ZINC000072365459 176380723 /nfs/dbraw/zinc/38/07/23/176380723.db2.gz RGJVDLBXSXPVDG-UHFFFAOYSA-N 1 0 297.358 2.440 40 0 CEABRO Cc1ccn(CCNc2cccc(C[C@H]3CCC[NH2+]C3)n2)n1 ZINC000072365329 176380807 /nfs/dbraw/zinc/38/08/07/176380807.db2.gz UITBELZIUDYSFZ-OAHLLOKOSA-N 1 0 299.422 2.241 40 0 CEABRO CSc1ccc(CN2C[C@@H]3C[C@@H](O)C[N@@H+]3C[C@@H]2C)cc1 ZINC000072397603 176395094 /nfs/dbraw/zinc/39/50/94/176395094.db2.gz QERHHOFNCGADLU-AEGPPILISA-N 1 0 292.448 2.048 40 0 CEABRO O[C@@H]1CCC[N@H+](Cc2ccc3cc(F)ccc3n2)C1 ZINC000072397881 176395555 /nfs/dbraw/zinc/39/55/55/176395555.db2.gz NLZAFJLPHIHDAB-CQSZACIVSA-N 1 0 260.312 2.331 40 0 CEABRO C[N@@H+]1CCC[C@@H](C(=O)NCCSc2ccccc2)C1 ZINC000078578500 177355984 /nfs/dbraw/zinc/35/59/84/177355984.db2.gz MBXBTNNRZOOMDP-CYBMUJFWSA-N 1 0 278.421 2.237 40 0 CEABRO Brc1ccc2nc(N3CC[NH2+]CC3)ccc2c1 ZINC000002527449 275372849 /nfs/dbraw/zinc/37/28/49/275372849.db2.gz MKIHFWMBAKJYJL-UHFFFAOYSA-N 1 0 292.180 2.407 40 0 in-vivo CEABRO CC[N@@H+]1CCCC12CCN(C(=O)C1CCC1)CC2 ZINC000096075211 276152637 /nfs/dbraw/zinc/15/26/37/276152637.db2.gz QYYKUWAGKAZNDX-UHFFFAOYSA-N 1 0 250.386 2.263 40 0 CEABRO COc1ccc([C@@H]2C[C@]3(C)NC(=O)CCC[C@@H]3[NH2+]2)cc1 ZINC000257298441 277929559 /nfs/dbraw/zinc/92/95/59/277929559.db2.gz RLPQTHFCXLYWEU-DZKIICNBSA-N 1 0 274.364 2.157 40 0 CEABRO CC(C)(C)OC(=O)N(C[C@H]1CCC[NH2+]C1)C1CC1 ZINC000079437707 278377695 /nfs/dbraw/zinc/37/76/95/278377695.db2.gz SBYXLQWQXPNJGM-NSHDSACASA-N 1 0 254.374 2.386 40 0 CEABRO CC[NH+]1CCC(N2CCC[C@@H]2c2ccnc(C)n2)CC1 ZINC000257204931 279258675 /nfs/dbraw/zinc/25/86/75/279258675.db2.gz AWXRMTKEURLRIC-MRXNPFEDSA-N 1 0 274.412 2.406 40 0 CEABRO COc1cc([C@H]2[NH2+]CC[C@@]3(O)CCCC[C@H]23)ccc1O ZINC000001322220 295026655 /nfs/dbraw/zinc/02/66/55/295026655.db2.gz VIYIGAXHNUOMNI-WQVCFCJDSA-N 1 0 277.364 2.357 40 0 CEABRO COc1cccc(C(=O)N2CC[NH2+]C[C@@H]2c2ccccc2)c1 ZINC000062709943 525803297 /nfs/dbraw/zinc/80/32/97/525803297.db2.gz PZXUTBQUXRIRMI-QGZVFWFLSA-N 1 0 296.370 2.482 40 0 CEABRO Cn1ncc2c1C[N@H+](CC1CC1)C[C@@H]2COc1cccnc1 ZINC000096044665 185072023 /nfs/dbraw/zinc/07/20/23/185072023.db2.gz DJVHDSRPUZCCMX-CQSZACIVSA-N 1 0 298.390 2.203 40 0 CEABRO c1cn([C@@H]2CO[C@@]3(C2)CCC[N@@H+](Cc2cccnc2)C3)cn1 ZINC000096048565 185073282 /nfs/dbraw/zinc/07/32/82/185073282.db2.gz SVZHDVPNTPYDSM-DLBZAZTESA-N 1 0 298.390 2.274 40 0 CEABRO c1cncc(O[C@@H]2CO[C@@]3(C2)CCC[N@@H+](CC2CC2)C3)c1 ZINC000096048279 185073343 /nfs/dbraw/zinc/07/33/43/185073343.db2.gz ZBFMLLPEFXQEAR-DLBZAZTESA-N 1 0 288.391 2.494 40 0 CEABRO OC[C@@H]1CCC[N@@H+]1Cc1ccc2cc(F)ccc2n1 ZINC000096836636 185116047 /nfs/dbraw/zinc/11/60/47/185116047.db2.gz DXORDVFADAXAKL-AWEZNQCLSA-N 1 0 260.312 2.331 40 0 CEABRO Clc1nccc(N2CC[C@@H]([NH+]3CCCCC3)C2)n1 ZINC000038579668 361986740 /nfs/dbraw/zinc/98/67/40/361986740.db2.gz GJQUCMCVPMUAFD-LLVKDONJSA-N 1 0 266.776 2.195 40 0 CEABRO CCNc1ncc(C[NH2+]CCc2nc3ccccc3[nH]2)cn1 ZINC000062718437 343672772 /nfs/dbraw/zinc/67/27/72/343672772.db2.gz YHOFXRLIDCSMBA-UHFFFAOYSA-N 1 0 296.378 2.117 40 0 CEABRO COc1ccccc1-c1nnc([C@H]2CC[N@H+](C)C2)o1 ZINC000049170012 362343390 /nfs/dbraw/zinc/34/33/90/362343390.db2.gz NOJIXMROCHCFLR-JTQLQIEISA-N 1 0 259.309 2.164 40 0 biogenic,in-vitro CEABRO CC(C)(C)OC(=O)N(C[C@@H]1CCCO1)[C@H]1CCC[C@@H]1[NH3+] ZINC000409438909 344889806 /nfs/dbraw/zinc/88/98/06/344889806.db2.gz DZRHNLUFYDTBDN-AVGNSLFASA-N 1 0 284.400 2.282 40 0 CEABRO CC(=O)NCCC[C@@H]([NH3+])C(=O)Nc1ccc2ccccc2c1 ZINC000224554599 539421957 /nfs/dbraw/zinc/42/19/57/539421957.db2.gz CAJFDYJWUJVWHG-MRXNPFEDSA-N 1 0 299.374 2.022 40 0 CEABRO CCCCC(=O)N1CC2(C1)CC[C@H](C[NH+]1CCCC1)CO2 ZINC000575406385 344950085 /nfs/dbraw/zinc/95/00/85/344950085.db2.gz OEUIVBGINKIPKO-OAHLLOKOSA-N 1 0 294.439 2.280 40 0 CEABRO CC(C)[N@@H+]1CCC[C@H](c2cncc(-c3cn[nH]c3)n2)C1 ZINC000585177420 345009119 /nfs/dbraw/zinc/00/91/19/345009119.db2.gz HAXGOSBMMNFPLA-LBPRGKRZSA-N 1 0 271.368 2.455 40 0 CEABRO CC(C)Oc1ccc([C@@H](O)C2(C[NH3+])CCOCC2)cc1 ZINC000085395725 179049408 /nfs/dbraw/zinc/04/94/08/179049408.db2.gz FEHDAESHDYWQGX-OAHLLOKOSA-N 1 0 279.380 2.263 40 0 CEABRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1ccccc1)C2 ZINC000063527687 362769587 /nfs/dbraw/zinc/76/95/87/362769587.db2.gz LGTKLYXZCDAJEQ-KRWDZBQOSA-N 1 0 272.392 2.173 40 0 CEABRO CC(C)(C)OC(=O)N[C@H]1CC[N@H+](CC2CCC2)C1 ZINC000067800921 362925861 /nfs/dbraw/zinc/92/58/61/362925861.db2.gz JAEIGTZUFFYNQO-LBPRGKRZSA-N 1 0 254.374 2.386 40 0 CEABRO C[C@@H]1CN([C@H](C[NH3+])c2cc(F)ccc2F)C[C@@H](C)O1 ZINC000108350256 186213348 /nfs/dbraw/zinc/21/33/48/186213348.db2.gz AOEFDDJIKRFNLE-GPCCPHFNSA-N 1 0 270.323 2.074 40 0 CEABRO CNc1cccc([C@@H]2CCC[N@@H+]2C2CCOCC2)n1 ZINC000072364350 363131314 /nfs/dbraw/zinc/13/13/14/363131314.db2.gz HCJXIIZDKDOSPO-AWEZNQCLSA-N 1 0 261.369 2.439 40 0 CEABRO CC(=O)c1cccc(NC(=O)C2CC[NH+](C)CC2)c1 ZINC000074713387 363375067 /nfs/dbraw/zinc/37/50/67/363375067.db2.gz ZKCBSWZUZZMTEI-UHFFFAOYSA-N 1 0 260.337 2.170 40 0 CEABRO CC(C)(C)OC(=O)N1CCC[C@@H](SCC[NH3+])C1 ZINC000079392230 363593941 /nfs/dbraw/zinc/59/39/41/363593941.db2.gz DHKRIQLMJLHSPH-SNVBAGLBSA-N 1 0 260.403 2.078 40 0 CEABRO CC(C)(C)OC(=O)N(C[C@H]1CCCN(CC[NH3+])C1)C1CC1 ZINC000079408644 363596695 /nfs/dbraw/zinc/59/66/95/363596695.db2.gz LOCTUXYHKFROTL-ZDUSSCGKSA-N 1 0 297.443 2.057 40 0 CEABRO OCCN1CCC[C@@H]([N@H+](Cc2ccccc2)C2CC2)C1 ZINC000079414385 363597254 /nfs/dbraw/zinc/59/72/54/363597254.db2.gz JXRXSROUZBNDSX-QGZVFWFLSA-N 1 0 274.408 2.108 40 0 CEABRO CCC[N@@H+]1C[C@@H]2CC[C@@]3(CC(C)=NN3C(C)=O)[C@H]2C1 ZINC000306134562 283354648 /nfs/dbraw/zinc/35/46/48/283354648.db2.gz NRUNORKAOHBWII-SOUVJXGZSA-N 1 0 263.385 2.105 40 0 CEABRO CCOc1cc(OC[C@H]2CCCC[NH2+]2)nc(SC)n1 ZINC000079439912 363602036 /nfs/dbraw/zinc/60/20/36/363602036.db2.gz WFDVCDMZQQPEFW-SNVBAGLBSA-N 1 0 283.397 2.118 40 0 CEABRO CCC(=O)c1ccc(OC[C@@H](O)C[NH+](CC)CC)cc1 ZINC000002705558 361245193 /nfs/dbraw/zinc/24/51/93/361245193.db2.gz SKIYQBAKEVTMIE-AWEZNQCLSA-N 1 0 279.380 2.361 40 0 CEABRO Nc1ccc(C(=O)NC[C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000005394827 361332530 /nfs/dbraw/zinc/33/25/30/361332530.db2.gz MKNQZZGCGYYGOH-GDBMZVCRSA-N 1 0 287.407 2.263 40 0 CEABRO Cc1ccc(SCC(=O)NCCC[NH+](C)C)cc1 ZINC000013595943 361432640 /nfs/dbraw/zinc/43/26/40/361432640.db2.gz RYYHTFQVEWYENK-UHFFFAOYSA-N 1 0 266.410 2.155 40 0 CEABRO COc1cccc(CC(=O)Nc2ccc(C[NH3+])cc2)c1 ZINC000019279551 361525868 /nfs/dbraw/zinc/52/58/68/361525868.db2.gz ISMYBDQZXSJMSI-UHFFFAOYSA-N 1 0 270.332 2.335 40 0 CEABRO Cc1c(C[N@@H+]2CC[C@H](CO)C2)cnn1Cc1ccccc1 ZINC000019554516 361543534 /nfs/dbraw/zinc/54/35/34/361543534.db2.gz OSMQXVRCEJBKQR-INIZCTEOSA-N 1 0 285.391 2.054 40 0 CEABRO Cc1cc(C)n(-c2cccc(C[NH+]3CCC(O)CC3)c2)n1 ZINC000019574840 361544224 /nfs/dbraw/zinc/54/42/24/361544224.db2.gz LAVFVLXQNJDZHQ-UHFFFAOYSA-N 1 0 285.391 2.446 40 0 CEABRO Brc1ccccc1CN1CCC[NH2+]CC1 ZINC000019388149 361529764 /nfs/dbraw/zinc/52/97/64/361529764.db2.gz FOXINVXXOPLSFX-UHFFFAOYSA-N 1 0 269.186 2.244 40 0 CEABRO COc1ccccc1NC(=O)COc1cccc(C[NH3+])c1 ZINC000019399375 361530483 /nfs/dbraw/zinc/53/04/83/361530483.db2.gz VLXCYCUKRLBDPN-UHFFFAOYSA-N 1 0 286.331 2.171 40 0 CEABRO CC(C)(C)OC(=O)NC[C@@H]([NH3+])c1ccccc1F ZINC000019796137 361554365 /nfs/dbraw/zinc/55/43/65/361554365.db2.gz QOOKUBPKAQBBLF-LLVKDONJSA-N 1 0 254.305 2.350 40 0 CEABRO C[C@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccc(F)cc1 ZINC000026781224 361644688 /nfs/dbraw/zinc/64/46/88/361644688.db2.gz WWQSPLICWQFGRY-GXTWGEPZSA-N 1 0 267.344 2.440 40 0 CEABRO O[C@@H](C[NH2+]Cc1ccccc1)COc1ccc(F)cc1 ZINC000032121579 361730066 /nfs/dbraw/zinc/73/00/66/361730066.db2.gz FHGGAYJIILRRNP-HNNXBMFYSA-N 1 0 275.323 2.355 40 0 CEABRO Cc1ccc(C[N@@H+]2CC[C@@H]3[C@@H]2CCN3C(=O)c2ccc[nH]2)o1 ZINC000096184687 364407512 /nfs/dbraw/zinc/40/75/12/364407512.db2.gz DUJGFDNVRZJCEX-JKSUJKDBSA-N 1 0 299.374 2.405 40 0 CEABRO C[C@H]([NH3+])c1nc(COc2ccc(Cl)cc2)n[nH]1 ZINC000095534638 364392478 /nfs/dbraw/zinc/39/24/78/364392478.db2.gz PUSOAAAZUUKZAF-ZETCQYMHSA-N 1 0 252.705 2.057 40 0 CEABRO CCC[N@@H+]1CC[C@]2(C[C@@H]2C(=O)N(C)Cc2ccccn2)C1 ZINC000096159202 364403108 /nfs/dbraw/zinc/40/31/08/364403108.db2.gz LKCKXOLVHVLMBV-WBVHZDCISA-N 1 0 287.407 2.162 40 0 CEABRO CC[C@@H](C)[N@H+]1C[C@H]2CN(Cc3ccccn3)C[C@H]2C1 ZINC000096161606 364404856 /nfs/dbraw/zinc/40/48/56/364404856.db2.gz NQIJXWNUFWUPJI-KFWWJZLASA-N 1 0 259.397 2.244 40 0 CEABRO O=C1N(c2cccnc2)CC12CC[NH+](Cc1ccco1)CC2 ZINC000096202946 364410399 /nfs/dbraw/zinc/41/03/99/364410399.db2.gz PHTFJAQGQBULNY-UHFFFAOYSA-N 1 0 297.358 2.304 40 0 CEABRO c1ccc(-c2cc(N3CC[NH2+]CC3)nc(C3CC3)n2)cc1 ZINC000096516923 364424981 /nfs/dbraw/zinc/42/49/81/364424981.db2.gz BWKOSUGYRWBGBK-UHFFFAOYSA-N 1 0 280.375 2.431 40 0 CEABRO C[N@H+](Cc1ccccc1)[C@H]1CC[C@H]([NH2+]CC(=O)[O-])CC1 ZINC000100177959 364540964 /nfs/dbraw/zinc/54/09/64/364540964.db2.gz RWTUSEAGUBNKIB-GASCZTMLSA-N 1 0 276.380 2.104 40 0 CEABRO CCn1c2ncccc2nc1[C@H]([NH3+])CCSC ZINC000111348797 364729377 /nfs/dbraw/zinc/72/93/77/364729377.db2.gz QISXGYYDQAANPY-SECBINFHSA-N 1 0 250.371 2.204 40 0 CEABRO CC[C@H](C)[N@@H+]1CCC[C@@]2(CN(Cc3cncs3)C2=O)C1 ZINC000585099714 367177236 /nfs/dbraw/zinc/17/72/36/367177236.db2.gz ZJARAEIXWPJORA-WFASDCNBSA-N 1 0 293.436 2.366 40 0 CEABRO COc1cc(N[C@@H]2CCC[C@H]2[NH3+])cc(OC)c1OC ZINC000218883279 370213772 /nfs/dbraw/zinc/21/37/72/370213772.db2.gz ZWKWMKZJULGQCS-GHMZBOCLSA-N 1 0 266.341 2.004 40 0 CEABRO [NH3+]CCSc1n[nH]c(COc2ccccc2Cl)n1 ZINC000224979299 370284469 /nfs/dbraw/zinc/28/44/69/370284469.db2.gz RYOBWYUODZMGNZ-UHFFFAOYSA-N 1 0 284.772 2.088 40 0 CEABRO COCCC[NH2+]Cc1ccc(Cc2ccco2)n1C ZINC000226021340 370326897 /nfs/dbraw/zinc/32/68/97/370326897.db2.gz YMXBFOZWRXUZMX-UHFFFAOYSA-N 1 0 262.353 2.335 40 0 CEABRO C[N@@H+]1CC[C@@]2(c3ccccc3)CCN(C(=O)C3CC3)C[C@@H]12 ZINC000248121705 371161731 /nfs/dbraw/zinc/16/17/31/371161731.db2.gz KHUQSPQHMNEIHO-AEFFLSMTSA-N 1 0 284.403 2.271 40 0 CEABRO C[NH2+][C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000253380267 371511337 /nfs/dbraw/zinc/51/13/37/371511337.db2.gz VNRMUCLKUFOUET-VXGBXAGGSA-N 1 0 258.287 2.269 40 0 CEABRO CCn1cc(C[NH2+]Cc2cnn(C(C)C)c2)c(C)n1 ZINC000256054018 190004975 /nfs/dbraw/zinc/00/49/75/190004975.db2.gz UQGFBWMDABJJSC-UHFFFAOYSA-N 1 0 261.373 2.279 40 0 CEABRO CC[C@@H](C)n1nccc1C[NH2+]Cc1cn(C)nc1C ZINC000256052977 190004234 /nfs/dbraw/zinc/00/42/34/190004234.db2.gz PMQJGFHEXXUFLE-LLVKDONJSA-N 1 0 261.373 2.186 40 0 CEABRO CCCn1cc(CN2CC[NH2+]C[C@@H]2c2ccccc2)cn1 ZINC000257203535 190011511 /nfs/dbraw/zinc/01/15/11/190011511.db2.gz AQMMZZGBANNVNY-QGZVFWFLSA-N 1 0 284.407 2.440 40 0 CEABRO CCc1nc(C)c(C[N@@H+]2CC[C@H](OC)[C@]3(CCCO3)C2)[nH]1 ZINC000257242297 190018605 /nfs/dbraw/zinc/01/86/05/190018605.db2.gz IBVDZHVHYPERGI-HOCLYGCPSA-N 1 0 293.411 2.050 40 0 CEABRO CCn1nccc1-c1cc(C)nc([C@H]2CCC[NH2+]2)n1 ZINC000257244743 190019314 /nfs/dbraw/zinc/01/93/14/190019314.db2.gz IMPKSXOUYGGGHJ-LLVKDONJSA-N 1 0 257.341 2.093 40 0 CEABRO O=C(C[N@@H+]1CCC[C@@H]1CCc1ccncc1)N1CCCC1 ZINC000257272072 190023876 /nfs/dbraw/zinc/02/38/76/190023876.db2.gz NAYZAAWLXWNNJE-MRXNPFEDSA-N 1 0 287.407 2.101 40 0 CEABRO CCCn1cc(-c2cncc(CC3CC[NH2+]CC3)n2)cn1 ZINC000257271007 190024052 /nfs/dbraw/zinc/02/40/52/190024052.db2.gz MWLWMWURQXEJPX-UHFFFAOYSA-N 1 0 285.395 2.292 40 0 CEABRO C[C@H]1CC[C@H](C[NH3+])N(C(=O)OCc2ccccc2)C1 ZINC000261508680 190040313 /nfs/dbraw/zinc/04/03/13/190040313.db2.gz VVQLVEABNKBPKW-GXTWGEPZSA-N 1 0 262.353 2.382 40 0 CEABRO Cc1cccc(COC[C@@]23CCCO[C@@H]2CC[NH2+]C3)n1 ZINC000306123901 376541598 /nfs/dbraw/zinc/54/15/98/376541598.db2.gz BACGSRYHTFYRJK-CVEARBPZSA-N 1 0 276.380 2.065 40 0 CEABRO Cc1cc(N2CCOCC2)ncc1C1=[NH+]CCCC1 ZINC000072219411 256707794 /nfs/dbraw/zinc/70/77/94/256707794.db2.gz QCAJFQIBQLBZHW-UHFFFAOYSA-N 1 0 259.353 2.200 40 0 CEABRO COC(=O)[C@@H]1C[N@H+](C)C[C@@H]1c1ccccc1Cl ZINC000217669189 130762699 /nfs/dbraw/zinc/76/26/99/130762699.db2.gz YVCKOEIZBOKVIO-GHMZBOCLSA-N 1 0 253.729 2.158 40 0 CEABRO C[C@H]1C[NH2+]CCN1C(=O)c1ccc(C(F)(F)F)cc1 ZINC000054370122 394560325 /nfs/dbraw/zinc/56/03/25/394560325.db2.gz TUUOPSOWHSOERB-VIFPVBQESA-N 1 0 272.270 2.139 40 0 CEABRO CC[N@@H+]1CCC[C@@H]1c1ccc(N2CCOCC2)nc1 ZINC000072216153 394592690 /nfs/dbraw/zinc/59/26/90/394592690.db2.gz AGEWXVOSXOUIDE-CQSZACIVSA-N 1 0 261.369 2.075 40 0 CEABRO COC(=O)[C@H]1C[N@H+](C)C[C@H]1c1cccc(Br)c1 ZINC000252516822 394572086 /nfs/dbraw/zinc/57/20/86/394572086.db2.gz XBPKBJLBWHOMCJ-RYUDHWBXSA-N 1 0 298.180 2.267 40 0 CEABRO Cc1cc(N(C)C)nc([C@H]2CCC[N@@H+]2C2CCOCC2)n1 ZINC000072364359 394598586 /nfs/dbraw/zinc/59/85/86/394598586.db2.gz AKEKKBRYTSKRMT-CQSZACIVSA-N 1 0 290.411 2.167 40 0 CEABRO CC[C@H]([C@H]([NH3+])c1ccc(F)cc1)S(=O)(=O)CC ZINC000096524956 394697384 /nfs/dbraw/zinc/69/73/84/394697384.db2.gz UQTGUEUCXORLKQ-VXGBXAGGSA-N 1 0 259.346 2.039 40 0 CEABRO CC[C@H]([C@H]([NH3+])c1ccc(C)cc1)S(=O)(=O)CC ZINC000096524952 394697432 /nfs/dbraw/zinc/69/74/32/394697432.db2.gz CKZJMYYKLAUAMS-CHWSQXEVSA-N 1 0 255.383 2.208 40 0 CEABRO CCOC(C[NH2+]Cc1ccccc1OC)OCC ZINC000096530036 394697894 /nfs/dbraw/zinc/69/78/94/394697894.db2.gz BWGKGEQHHJJZIR-UHFFFAOYSA-N 1 0 253.342 2.184 40 0 CEABRO Fc1cccc(-c2ccc3nnc([C@H]4CCC[NH2+]4)n3n2)c1 ZINC000096530158 394697907 /nfs/dbraw/zinc/69/79/07/394697907.db2.gz AFXNEQDSMGCXHQ-CYBMUJFWSA-N 1 0 283.310 2.355 40 0 CEABRO CCOC(=O)c1cc2ccccc2n1CC[NH+](C)C ZINC000002486933 169794808 /nfs/dbraw/zinc/79/48/08/169794808.db2.gz UOKPGLIJYHEVMJ-UHFFFAOYSA-N 1 0 260.337 2.380 40 0 CEABRO Cc1ccc2nc(NC(=O)CSC(N)=[NH2+])sc2c1 ZINC000005008078 170054762 /nfs/dbraw/zinc/05/47/62/170054762.db2.gz QECAEYIPGGYUII-UHFFFAOYSA-N 1 0 280.378 2.170 40 0 CEABRO c1nn2c3ccccc3nc2n1CC[NH+]1CCCCC1 ZINC000005027703 170057569 /nfs/dbraw/zinc/05/75/69/170057569.db2.gz YRYLHJCFIVNEIH-UHFFFAOYSA-N 1 0 269.352 2.170 40 0 CEABRO CC(C)(C)OC[C@@H](O)C[NH+]1C(C)(C)CC(O)CC1(C)C ZINC000007636344 170294388 /nfs/dbraw/zinc/29/43/88/170294388.db2.gz ZXRAFLNKANQSSN-ZDUSSCGKSA-N 1 0 287.444 2.176 40 0 CEABRO CCN1C(=O)C[C@H]([NH+]2CCC(c3ccccc3)CC2)C1=O ZINC000022145895 171356349 /nfs/dbraw/zinc/35/63/49/171356349.db2.gz MAKROFYIJPRYQJ-HNNXBMFYSA-N 1 0 286.375 2.013 40 0 CEABRO Cc1nc2ccc(Cl)nc2n1CC[NH+]1CCCC1 ZINC000038538648 174145687 /nfs/dbraw/zinc/14/56/87/174145687.db2.gz GUPSDNLWRTWJMO-UHFFFAOYSA-N 1 0 264.760 2.489 40 0 CEABRO CCC[C@H]1C[NH2+]CCN1C(=O)OCc1ccccc1 ZINC000039952233 174177233 /nfs/dbraw/zinc/17/72/33/174177233.db2.gz VIKGAFRHDILOHV-AWEZNQCLSA-N 1 0 262.353 2.397 40 0 CEABRO CC(C)Oc1ccc(NC(=S)NCC[NH+](C)C)cc1 ZINC000044194962 175153068 /nfs/dbraw/zinc/15/30/68/175153068.db2.gz FYLSUXVBXVRFSJ-UHFFFAOYSA-N 1 0 281.425 2.322 40 0 CEABRO FC(F)(F)Oc1ccccc1-c1noc(C2C[NH2+]C2)n1 ZINC000048981124 175457193 /nfs/dbraw/zinc/45/71/93/175457193.db2.gz ORCIZOOSLFGSGY-UHFFFAOYSA-N 1 0 285.225 2.322 40 0 CEABRO CC(C)c1nccn1-c1cncc(C2CC[NH2+]CC2)n1 ZINC000072355924 176375696 /nfs/dbraw/zinc/37/56/96/176375696.db2.gz YNRMFXRSBJCKIZ-UHFFFAOYSA-N 1 0 271.368 2.253 40 0 CEABRO Cc1cc(NC[C@]2(C)CCCO2)nc(C2CC[NH2+]CC2)n1 ZINC000072365472 176380431 /nfs/dbraw/zinc/38/04/31/176380431.db2.gz UUKTVIJJUTVWQU-INIZCTEOSA-N 1 0 290.411 2.233 40 0 CEABRO Cc1nc(-c2cccc(C(N)=O)c2)cc(C2CC[NH2+]CC2)n1 ZINC000072365532 176380675 /nfs/dbraw/zinc/38/06/75/176380675.db2.gz YKEMVJILIGHJDK-UHFFFAOYSA-N 1 0 296.374 2.018 40 0 CEABRO CC[N@@H+]1CCc2nc(NCc3ccco3)ncc2C1 ZINC000072415047 176399498 /nfs/dbraw/zinc/39/94/98/176399498.db2.gz ZKQNCPCTZPMNHR-UHFFFAOYSA-N 1 0 258.325 2.060 40 0 CEABRO CC(=O)N[C@@H](NC(=[NH2+])C(C)C)C(Cl)(Cl)Cl ZINC000003109670 275783948 /nfs/dbraw/zinc/78/39/48/275783948.db2.gz NUGSPFZXZPDTND-ZETCQYMHSA-N 1 0 274.579 2.042 40 0 CEABRO CCC[NH+]1CCC2(CC1)Nc1ccccc1N(C)C2=O ZINC000306124691 276005151 /nfs/dbraw/zinc/00/51/51/276005151.db2.gz BWSVOTIWXHIDIY-UHFFFAOYSA-N 1 0 273.380 2.320 40 0 CEABRO CN1CCn2c(-c3ccccc3)cnc2C12CC[NH2+]CC2 ZINC000096144955 277191161 /nfs/dbraw/zinc/19/11/61/277191161.db2.gz IHWBFQNAUKOBMF-UHFFFAOYSA-N 1 0 282.391 2.074 40 0 CEABRO C[C@@H]1C[NH2+]CCN1C(=O)c1ccccc1C(F)(F)F ZINC000054370281 288319109 /nfs/dbraw/zinc/31/91/09/288319109.db2.gz KWQOYIQRGZBDAQ-SECBINFHSA-N 1 0 272.270 2.139 40 0 CEABRO CNc1nccnc1C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000257339693 327136974 /nfs/dbraw/zinc/13/69/74/327136974.db2.gz ZCUNGYXJYBIAJV-KBPBESRZSA-N 1 0 290.411 2.001 40 0 CEABRO c1ccc(C[NH+]2C[C@@H]3CN(c4cccnn4)C[C@H]3C2)cc1 ZINC000306842005 333010274 /nfs/dbraw/zinc/01/02/74/333010274.db2.gz AZECRCPBZLVCQL-HZPDHXFCSA-N 1 0 280.375 2.045 40 0 CEABRO [NH3+]C[C@@]1(CO)C[C@@H]1c1ccccc1OC(F)(F)F ZINC000062713722 527221987 /nfs/dbraw/zinc/22/19/87/527221987.db2.gz YQYCYENBNBYWOS-MWLCHTKSSA-N 1 0 261.243 2.010 40 0 CEABRO [NH3+]C[C@@]1(CO)C[C@H]1c1ccccc1OC(F)(F)F ZINC000062713717 527222124 /nfs/dbraw/zinc/22/21/24/527222124.db2.gz YQYCYENBNBYWOS-GXSJLCMTSA-N 1 0 261.243 2.010 40 0 CEABRO CCN1CCC2(CC[NH+](Cc3ccc(C)o3)CC2)C1=O ZINC000096046739 185072001 /nfs/dbraw/zinc/07/20/01/185072001.db2.gz VALOCFUEWHZEFP-UHFFFAOYSA-N 1 0 276.380 2.422 40 0 CEABRO COC[C@]12CCCO[C@@H]1CC[N@H+](Cc1ccco1)C2 ZINC000096056710 185077340 /nfs/dbraw/zinc/07/73/40/185077340.db2.gz MSHWUFSCDKMXQC-HUUCEWRRSA-N 1 0 265.353 2.297 40 0 CEABRO O[C@H]1CC[N@H+](Cc2ccc(F)cc2)[C@H]1Cc1ccncc1 ZINC000096061650 185082191 /nfs/dbraw/zinc/08/21/91/185082191.db2.gz UHQXDVKDSNLODR-IRXDYDNUSA-N 1 0 286.350 2.399 40 0 CEABRO CC[N@@H+]1CCCC12CCN(C(=O)c1ccoc1)CC2 ZINC000096075209 185089988 /nfs/dbraw/zinc/08/99/88/185089988.db2.gz PECNTNZUCDDXHV-UHFFFAOYSA-N 1 0 262.353 2.370 40 0 CEABRO CC(C)(C)C[N@H+]1C[C@H]2CN(C(=O)c3cscn3)C[C@H]2C1 ZINC000096080982 185091627 /nfs/dbraw/zinc/09/16/27/185091627.db2.gz MTJZVUDMNFVSCO-TXEJJXNPSA-N 1 0 293.436 2.193 40 0 CEABRO CCOCC[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000036879026 361867612 /nfs/dbraw/zinc/86/76/12/361867612.db2.gz FMADTOZUJQFJLW-UHFFFAOYSA-N 1 0 272.389 2.012 40 0 CEABRO [NH3+]CC(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000037817582 361949240 /nfs/dbraw/zinc/94/92/40/361949240.db2.gz DNWJBQMLPPXOBC-UHFFFAOYSA-N 1 0 273.163 2.443 40 0 CEABRO [NH2+]=C1NC[C@H]2c3ccccc3C(=O)c3ccccc3N12 ZINC000044699761 362154649 /nfs/dbraw/zinc/15/46/49/362154649.db2.gz ZLEUIRBHHWJTHP-AWEZNQCLSA-N 1 0 263.300 2.107 40 0 in-vitro CEABRO CCNc1nc(N2CCc3cc(OC)ccc3C2)cc(C)[nH+]1 ZINC000328970703 136377289 /nfs/dbraw/zinc/37/72/89/136377289.db2.gz DLGXHTJKYSYMSZ-UHFFFAOYSA-N 1 0 298.390 2.210 40 0 CEABRO CNc1ncc(C[NH2+]CCCc2nc3ccccc3[nH]2)cn1 ZINC000062718694 343672636 /nfs/dbraw/zinc/67/26/36/343672636.db2.gz CFJNVMVCHMIOCX-UHFFFAOYSA-N 1 0 296.378 2.117 40 0 CEABRO O=C(NC1C[NH2+]C1)OCC1c2ccccc2-c2ccccc21 ZINC000231564722 344575304 /nfs/dbraw/zinc/57/53/04/344575304.db2.gz BWLFMYBNSYWQAK-UHFFFAOYSA-N 1 0 294.354 2.497 40 0 CEABRO [NH3+]Cc1cn(-c2ccc(Br)cc2Cl)nn1 ZINC000050224154 362410512 /nfs/dbraw/zinc/41/05/12/362410512.db2.gz DFCNXKQCHCOMGE-UHFFFAOYSA-N 1 0 287.548 2.142 40 0 CEABRO COCC[C@@H]1CCOC12CC[NH+](Cc1cccnc1)CC2 ZINC000585104066 345005635 /nfs/dbraw/zinc/00/56/35/345005635.db2.gz FVQVTLHQUJKLTR-MRXNPFEDSA-N 1 0 290.407 2.489 40 0 CEABRO Cc1ccccc1OC[C@@]1(O)CC[N@H+](Cc2ccccn2)C1 ZINC000585274273 345009215 /nfs/dbraw/zinc/00/92/15/345009215.db2.gz ICJLSAJABVPESA-GOSISDBHSA-N 1 0 298.386 2.406 40 0 CEABRO CC(C)OCC[NH2+][C@H]1CCC[C@@H](Oc2ccccc2)[C@@H]1O ZINC000585289300 345010300 /nfs/dbraw/zinc/01/03/00/345010300.db2.gz PGPIYMJFAYMWFX-GVDBMIGSSA-N 1 0 293.407 2.362 40 0 CEABRO O=C(C[NH2+]Cc1ccccc1)NCc1ccccc1 ZINC000056327930 362558283 /nfs/dbraw/zinc/55/82/83/362558283.db2.gz WHPBAOBBWAFHRE-UHFFFAOYSA-N 1 0 254.333 2.093 40 0 in-vitro CEABRO c1ccc(-c2ccc3nnc(C4CC[NH2+]CC4)n3n2)cc1 ZINC000058021714 362606009 /nfs/dbraw/zinc/60/60/09/362606009.db2.gz LAMWOWMEVFAPRF-UHFFFAOYSA-N 1 0 279.347 2.258 40 0 CEABRO Fc1cccc(N[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)c1 ZINC000306134025 201844091 /nfs/dbraw/zinc/84/40/91/201844091.db2.gz NCCDOUVKXMSRLE-KBPBESRZSA-N 1 0 250.317 2.149 40 0 CEABRO [NH3+]C[C@H]1CC[C@H]([C@@H](NC(=O)C2CC2)c2ccccn2)CC1 ZINC000100750263 185724218 /nfs/dbraw/zinc/72/42/18/185724218.db2.gz ABSWLIXOEIFQIP-DVOMOZLQSA-N 1 0 287.407 2.414 40 0 CEABRO F[C@@H]1CC[NH2+]C[C@]12CCN(Cc1ccsc1)C2 ZINC000107795646 186192069 /nfs/dbraw/zinc/19/20/69/186192069.db2.gz HJPXDVCQFIJSMF-OLZOCXBDSA-N 1 0 254.374 2.272 40 0 CEABRO CC(C)Oc1cccc(CNC(=O)[C@H]2CCC[N@H+](C)C2)c1 ZINC000072984104 363189793 /nfs/dbraw/zinc/18/97/93/363189793.db2.gz OTWYYZASRMSQLY-HNNXBMFYSA-N 1 0 290.407 2.432 40 0 CEABRO COc1cccc(CCCNC(=O)C2CC[NH+](C)CC2)c1 ZINC000073306975 363209869 /nfs/dbraw/zinc/20/98/69/363209869.db2.gz VZPVOIDGIFUURA-UHFFFAOYSA-N 1 0 290.407 2.086 40 0 CEABRO Cc1ccc(C(=O)NCCC2CC[NH+](C)CC2)cc1 ZINC000156352342 188257385 /nfs/dbraw/zinc/25/73/85/188257385.db2.gz ZBSLWYHMMPGHGU-UHFFFAOYSA-N 1 0 260.381 2.457 40 0 CEABRO CC[N@@H+](Cc1ccccc1)C[C@@H]1CCCCN1CCO ZINC000079414214 363596819 /nfs/dbraw/zinc/59/68/19/363596819.db2.gz KVNDXFIABUZSGL-KRWDZBQOSA-N 1 0 276.424 2.355 40 0 CEABRO CN(Cc1ccccc1)[C@H]1CCCC[C@@H]1[NH2+]CCO ZINC000079414162 363597484 /nfs/dbraw/zinc/59/74/84/363597484.db2.gz MPLCGBFEAWUJPF-HOTGVXAUSA-N 1 0 262.397 2.012 40 0 CEABRO [NH3+]CC(=O)N(Cc1cccc(Cl)c1Cl)C1CC1 ZINC000079420864 363598768 /nfs/dbraw/zinc/59/87/68/363598768.db2.gz JNUHAPQJHLNTSE-UHFFFAOYSA-N 1 0 273.163 2.443 40 0 CEABRO C[C@H]([NH3+])C(=O)N(Cc1nccc2ccccc21)C1CC1 ZINC000079422206 363599247 /nfs/dbraw/zinc/59/92/47/363599247.db2.gz WKCCOWDAAHBWNM-NSHDSACASA-N 1 0 269.348 2.073 40 0 CEABRO CCN(Cc1cc(Cl)ccc1Cl)C(=O)C[NH3+] ZINC000079420223 363599407 /nfs/dbraw/zinc/59/94/07/363599407.db2.gz AYRILFUOUFAKQD-UHFFFAOYSA-N 1 0 261.152 2.301 40 0 CEABRO CC[NH2+]C[C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000079437158 363600029 /nfs/dbraw/zinc/60/00/29/363600029.db2.gz SMIFDHXKKXIGIG-AWEZNQCLSA-N 1 0 262.353 2.255 40 0 CEABRO COc1cc(C(=O)NC2CC[NH+](C)CC2)nc2ccccc21 ZINC000000108644 361128698 /nfs/dbraw/zinc/12/86/98/361128698.db2.gz GNJACEGZLYJZMR-UHFFFAOYSA-N 1 0 299.374 2.067 40 0 CEABRO COC(=O)c1ccc(/C=C/c2cc[n+](C)cc2)cc1 ZINC000005002274 361330374 /nfs/dbraw/zinc/33/03/74/361330374.db2.gz NOOJXVJVQPOUAV-ONEGZZNKSA-N 1 0 254.309 2.468 40 0 CEABRO Cc1cc(C)n(-c2cccc(C[N@@H+]3CC[C@H](CO)C3)c2)n1 ZINC000012182982 361374689 /nfs/dbraw/zinc/37/46/89/361374689.db2.gz PWVVSECIEMSCFF-INIZCTEOSA-N 1 0 285.391 2.303 40 0 CEABRO CN(CC[NH2+]C[C@@H]1CCCN1C)Cc1cccc(Cl)c1 ZINC000019365066 361528169 /nfs/dbraw/zinc/52/81/69/361528169.db2.gz YDZPCHJOAHTNCR-INIZCTEOSA-N 1 0 295.858 2.456 40 0 CEABRO Cc1nc([C@H]2CC[N@H+](Cc3ccccc3)C2)cc(=O)[nH]1 ZINC000019285267 361526641 /nfs/dbraw/zinc/52/66/41/361526641.db2.gz GSLXRSXVXKOFMX-AWEZNQCLSA-N 1 0 269.348 2.068 40 0 CEABRO COc1ccc(CN2C[C@@H]3CCC[N@@H+]3C[C@H]2C)c(OC)c1 ZINC000019575120 361543796 /nfs/dbraw/zinc/54/37/96/361543796.db2.gz FADZAKJCSKJSIQ-HIFRSBDPSA-N 1 0 290.407 2.372 40 0 CEABRO C[NH+](C)Cc1[nH]nc(N)c1-c1ccccc1Cl ZINC000026511504 361643275 /nfs/dbraw/zinc/64/32/75/361643275.db2.gz SCCDNTKHVWFHOT-UHFFFAOYSA-N 1 0 250.733 2.374 40 0 CEABRO [NH3+]CCN(Cc1cccc(Br)c1)C1CC1 ZINC000032116311 361729747 /nfs/dbraw/zinc/72/97/47/361729747.db2.gz GITMEANUUGFABN-UHFFFAOYSA-N 1 0 269.186 2.372 40 0 CEABRO CC(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCN2C(=O)N1CCCC1 ZINC000096055793 364400051 /nfs/dbraw/zinc/40/00/51/364400051.db2.gz KGLPCNBJKYJXSE-UONOGXRCSA-N 1 0 265.401 2.007 40 0 CEABRO C[N@@H+]1CCC[C@]2(CCN(C(=O)Cc3ccsc3)C2)C1 ZINC000096215249 364413245 /nfs/dbraw/zinc/41/32/45/364413245.db2.gz YHDWRDSACVMGEU-HNNXBMFYSA-N 1 0 278.421 2.235 40 0 CEABRO CC(=O)N1CCC[C@@]2(C1)C[N@H+](CC1CCCCC1)CCO2 ZINC000096268744 364419840 /nfs/dbraw/zinc/41/98/40/364419840.db2.gz KOZMBNCTBCNIER-KRWDZBQOSA-N 1 0 294.439 2.280 40 0 CEABRO CCn1nccc1C[NH2+]CCc1cccc(OC)c1 ZINC000160011701 366965965 /nfs/dbraw/zinc/96/59/65/366965965.db2.gz MGTPNDWOCCEHEM-UHFFFAOYSA-N 1 0 259.353 2.244 40 0 CEABRO [NH3+][C@H]1CC[C@H](NC(=O)c2ccccc2Cl)CC1 ZINC000255189689 189996460 /nfs/dbraw/zinc/99/64/60/189996460.db2.gz RLEQUKHWKZGYOP-MGCOHNPYSA-N 1 0 252.745 2.340 40 0 CEABRO Brc1ccc2c(c1)CCC1(C[NH2+]C1)O2 ZINC000409430248 375524259 /nfs/dbraw/zinc/52/42/59/375524259.db2.gz GCTIRWLCMBMDNW-UHFFFAOYSA-N 1 0 254.127 2.116 40 0 CEABRO CCc1onc(C)c1-c1cccc([C@H]2C[NH2+]CCO2)n1 ZINC000257224048 190015352 /nfs/dbraw/zinc/01/53/52/190015352.db2.gz FACCIUHCTQABDR-CQSZACIVSA-N 1 0 273.336 2.268 40 0 CEABRO CCCn1nccc1-c1cnc(C[C@@H]2CC[N@H+](C)C2)cn1 ZINC000257221303 190014570 /nfs/dbraw/zinc/01/45/70/190014570.db2.gz DOJMZVLOJYEMNL-ZDUSSCGKSA-N 1 0 285.395 2.244 40 0 CEABRO Cc1c[nH]c([C@H]2CC[N@H+](CC3(O)CCCCC3)C2)n1 ZINC000257238014 190017826 /nfs/dbraw/zinc/01/78/26/190017826.db2.gz HJFFKSZCTLBLIH-ZDUSSCGKSA-N 1 0 263.385 2.203 40 0 CEABRO CNc1ncccc1C[N@@H+]1CCC[C@](C)(c2cc[nH]n2)C1 ZINC000257238681 190017878 /nfs/dbraw/zinc/01/78/78/190017878.db2.gz HMBGDUWHBFKQBM-INIZCTEOSA-N 1 0 285.395 2.400 40 0 CEABRO CNC(=O)C[N@@H+]1CCC[C@@H](Cc2cccc3ncccc23)C1 ZINC000257243910 190018494 /nfs/dbraw/zinc/01/84/94/190018494.db2.gz IJBLKEWCVYDNNA-AWEZNQCLSA-N 1 0 297.402 2.235 40 0 CEABRO Cn1cc(C[N@H+]2C[C@@H]3[C@H](Oc4cccnc4)CC[C@@H]3C2)cn1 ZINC000257252047 190020319 /nfs/dbraw/zinc/02/03/19/190020319.db2.gz JTIWFHDHVQJXSX-HYVNUMGLSA-N 1 0 298.390 2.105 40 0 CEABRO c1cc2cc(C[C@@H]3COC4(C3)CC[NH2+]CC4)cnc2[nH]1 ZINC000257264681 190023056 /nfs/dbraw/zinc/02/30/56/190023056.db2.gz LVPRNAGKHAPJFZ-ZDUSSCGKSA-N 1 0 271.364 2.264 40 0 CEABRO CC(C)[N@@H+]1CCC[C@H](c2cnc(-c3ccnn3C)cn2)C1 ZINC000257255814 190021304 /nfs/dbraw/zinc/02/13/04/190021304.db2.gz KIYQJNVWXMZNSC-ZDUSSCGKSA-N 1 0 285.395 2.465 40 0 CEABRO C[NH+]1CCC(c2cccc(NCC3(C)COC3)n2)CC1 ZINC000257259473 190021476 /nfs/dbraw/zinc/02/14/76/190021476.db2.gz KYNWZDQEUQTVAV-UHFFFAOYSA-N 1 0 275.396 2.339 40 0 CEABRO C[N@@H+]1C[C@H](c2ccccc2)[C@H]2CN(Cc3ncc[nH]3)CC[C@H]21 ZINC000257260921 190022437 /nfs/dbraw/zinc/02/24/37/190022437.db2.gz LFBMYKUOSNQUHU-BRWVUGGUSA-N 1 0 296.418 2.329 40 0 CEABRO CNc1nccnc1C[C@@H]1CCC[N@H+](Cc2ccncc2)C1 ZINC000257274537 190024594 /nfs/dbraw/zinc/02/45/94/190024594.db2.gz NLMJIQNKBMDFAG-HNNXBMFYSA-N 1 0 297.406 2.368 40 0 CEABRO C[N@@H+]1CCC[C@H](c2cncc(-c3cccc(C(N)=O)c3)n2)C1 ZINC000257307187 190031557 /nfs/dbraw/zinc/03/15/57/190031557.db2.gz SXOIDNAWVLXMKJ-AWEZNQCLSA-N 1 0 296.374 2.052 40 0 CEABRO COc1ccccc1C[N@H+]1CC[C@H](OC)[C@]2(CCCO2)C1 ZINC000257314843 190032898 /nfs/dbraw/zinc/03/28/98/190032898.db2.gz UYSUSARHPNKGEL-IRXDYDNUSA-N 1 0 291.391 2.465 40 0 CEABRO c1[nH]nc2nc([C@@H]3CCC[N@@H+](Cc4cnccn4)C3)ccc12 ZINC000257327800 190034754 /nfs/dbraw/zinc/03/47/54/190034754.db2.gz XCUCRQQAEUQGGD-CYBMUJFWSA-N 1 0 294.362 2.128 40 0 CEABRO c1cc(NC2CCOCC2)nc([C@H]2CCC[NH2+]C2)c1 ZINC000257334680 190036506 /nfs/dbraw/zinc/03/65/06/190036506.db2.gz YGYUPZFTPRIYRZ-LBPRGKRZSA-N 1 0 261.369 2.140 40 0 CEABRO CN(C)C(=O)N1CC[C@@]2(c3ccccc3)CC[N@H+](C)[C@@H]2C1 ZINC000306136592 376540683 /nfs/dbraw/zinc/54/06/83/376540683.db2.gz PXSZZMGCICPJRP-NVXWUHKLSA-N 1 0 287.407 2.016 40 0 CEABRO O=C(C[C@H]1CC2(CC[NH2+]CC2)c2ccccc21)NC1CC1 ZINC000306140509 376541173 /nfs/dbraw/zinc/54/11/73/376541173.db2.gz UVSSKZDZSYAMGS-ZDUSSCGKSA-N 1 0 284.403 2.464 40 0 CEABRO COc1cccc(NCc2n[nH]c([C@@H]([NH3+])C(C)C)n2)c1 ZINC000095534742 256744385 /nfs/dbraw/zinc/74/43/85/256744385.db2.gz KVYIFOYNQVWFDS-ZDUSSCGKSA-N 1 0 275.356 2.081 40 0 CEABRO CC[C@@H]1C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1O ZINC000005339256 394457648 /nfs/dbraw/zinc/45/76/48/394457648.db2.gz LYDWUTUOAGCHNM-UGFHNGPFSA-N 1 0 291.391 2.394 40 0 CEABRO CC(=O)N1CCC([NH2+][C@H]2CCC[C@H](C)[C@H]2C)CC1 ZINC000032917425 394491350 /nfs/dbraw/zinc/49/13/50/394491350.db2.gz ZPLRHLITMOXCRU-ZOWXZIJZSA-N 1 0 252.402 2.412 40 0 CEABRO Cc1cc([C@@H]2CCCC[NH2+]2)cnc1N1CCOCC1 ZINC000072219352 394593122 /nfs/dbraw/zinc/59/31/22/394593122.db2.gz PJTFCUSCVSZHKZ-AWEZNQCLSA-N 1 0 261.369 2.041 40 0 CEABRO Fc1ccc(CN2CC[NH2+]CC2)c(C(F)(F)F)c1 ZINC000067800349 394579955 /nfs/dbraw/zinc/57/99/55/394579955.db2.gz JOFNQKGOVZPLSU-UHFFFAOYSA-N 1 0 262.250 2.250 40 0 CEABRO Cc1cc(N2CCOCC2)ncc1[C@H]1CCCC[NH2+]1 ZINC000072219413 394594700 /nfs/dbraw/zinc/59/47/00/394594700.db2.gz AAUMYLFFRPAEAM-CQSZACIVSA-N 1 0 261.369 2.041 40 0 CEABRO CCc1c(C)sc2ncn(C3CC[NH2+]CC3)c(=O)c12 ZINC000072389587 394598595 /nfs/dbraw/zinc/59/85/95/394598595.db2.gz BLNCOLZSGGBGIC-UHFFFAOYSA-N 1 0 277.393 2.253 40 0 CEABRO Cc1cnc(N2CCC3(CC([NH+](C)C)C3)CC2)nc1 ZINC000096063156 394676207 /nfs/dbraw/zinc/67/62/07/394676207.db2.gz LZZJIOWSLJIYRT-UHFFFAOYSA-N 1 0 260.385 2.096 40 0 CEABRO Fc1ccccc1N[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC000096157184 394677109 /nfs/dbraw/zinc/67/71/09/394677109.db2.gz QWXCWYYYGLUEKG-NSHDSACASA-N 1 0 250.317 2.149 40 0 CEABRO CC(=O)N1CCC([NH2+][C@H]2CCC[C@H](C)[C@@H]2C)CC1 ZINC000169619808 395089454 /nfs/dbraw/zinc/08/94/54/395089454.db2.gz ZPLRHLITMOXCRU-HUBLWGQQSA-N 1 0 252.402 2.412 40 0 CEABRO COC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1cccc(Br)c1 ZINC000217668695 400307912 /nfs/dbraw/zinc/30/79/12/400307912.db2.gz XBPKBJLBWHOMCJ-NEPJUHHUSA-N 1 0 298.180 2.267 40 0 CEABRO Cc1cc(C)c(C)c(OC[C@H](O)C[NH2+]C(C)C)c1 ZINC000004305226 169956211 /nfs/dbraw/zinc/95/62/11/169956211.db2.gz WGDDOPXUENYDDS-CQSZACIVSA-N 1 0 251.370 2.350 40 0 CEABRO CC(=O)Oc1ccc2occ(C(=O)CC[NH+](C)C)c2c1 ZINC000005292008 170083719 /nfs/dbraw/zinc/08/37/19/170083719.db2.gz GBMFUOJPDAIZDH-UHFFFAOYSA-N 1 0 275.304 2.493 40 0 CEABRO C/C=C/[C@](O)(C(=O)O[C@@H]1C[NH+]2CCC1CC2)C1CCCC1 ZINC000005566353 170114226 /nfs/dbraw/zinc/11/42/26/170114226.db2.gz KFIKGORTYFCONO-QLYQFNSRSA-N 1 0 293.407 2.121 40 0 CEABRO C/C=C\[C@](O)(C(=O)O[C@@H]1C[NH+]2CCC1CC2)C1CCCC1 ZINC000005954608 170162167 /nfs/dbraw/zinc/16/21/67/170162167.db2.gz KFIKGORTYFCONO-UHFUNJJMSA-N 1 0 293.407 2.121 40 0 CEABRO CN(CC[NH+]1CCCCC1)C(=O)c1cc2c([nH]1)CCCC2 ZINC000019657603 170833664 /nfs/dbraw/zinc/83/36/64/170833664.db2.gz OEYYPOFJJOQTIT-UHFFFAOYSA-N 1 0 289.423 2.451 40 0 CEABRO COc1ccc([C@@H](C[NH3+])N2CCC[C@@H](C)C2)c(OC)c1 ZINC000022215176 171375570 /nfs/dbraw/zinc/37/55/70/171375570.db2.gz SBZBRJHTMRUIII-IUODEOHRSA-N 1 0 278.396 2.436 40 0 CEABRO Cc1ccc([C@@H](C[NH3+])N2C[C@@H](C)O[C@H](C)C2)cc1C ZINC000037179893 173012633 /nfs/dbraw/zinc/01/26/33/173012633.db2.gz CMKDMFWNQQCGKG-IIAWOOMASA-N 1 0 262.397 2.412 40 0 CEABRO CC1CCN([C@H](C[NH3+])c2ccc3c(c2)CCO3)CC1 ZINC000037363612 173152793 /nfs/dbraw/zinc/15/27/93/173152793.db2.gz YVDHXORJDUXSIS-OAHLLOKOSA-N 1 0 260.381 2.353 40 0 CEABRO CCN(C(=O)OCc1ccccc1)C1CC[NH2+]CC1 ZINC000060042006 175635320 /nfs/dbraw/zinc/63/53/20/175635320.db2.gz RACQTFOLDNTZPN-UHFFFAOYSA-N 1 0 262.353 2.397 40 0 CEABRO CCOC(=O)C[C@H](c1ccc(OC)cc1)[NH+](C)C ZINC000072210291 176342671 /nfs/dbraw/zinc/34/26/71/176342671.db2.gz DREMLXMADRUZDQ-CYBMUJFWSA-N 1 0 251.326 2.251 40 0 CEABRO Cc1nc([C@@H]2CCC[N@@H+](C(C)C)C2)ncc1C(=O)N(C)C ZINC000072352004 176374586 /nfs/dbraw/zinc/37/45/86/176374586.db2.gz HMGITVOGNNLUPS-CYBMUJFWSA-N 1 0 290.411 2.075 40 0 CEABRO c1cc(C[C@H]2CCC[NH2+]C2)nc(NCCc2cnccn2)c1 ZINC000072365348 176380355 /nfs/dbraw/zinc/38/03/55/176380355.db2.gz WGEMGRIXZPHMDH-CQSZACIVSA-N 1 0 297.406 2.068 40 0 CEABRO COCCNc1cccc(C[C@H]2CCC[N@H+](C)CC2)n1 ZINC000072386648 176392347 /nfs/dbraw/zinc/39/23/47/176392347.db2.gz ADLQUAMUAZTTRI-AWEZNQCLSA-N 1 0 277.412 2.414 40 0 CEABRO Cc1cccnc1-n1cccc1C[N@@H+]1CCC[C@@H](CO)C1 ZINC000072397857 176395697 /nfs/dbraw/zinc/39/56/97/176395697.db2.gz LJZSYCIDBKWIJK-OAHLLOKOSA-N 1 0 285.391 2.385 40 0 CEABRO CC(C)(C)OC(=O)N(C1CC1)[C@H]1CC[C@H]([NH2+]CCO)CC1 ZINC000242687487 261267638 /nfs/dbraw/zinc/26/76/38/261267638.db2.gz UIMUSTUGVZRPQE-JOCQHMNTSA-N 1 0 298.427 2.279 40 0 CEABRO O=C1CC[C@@]2(CCC[NH2+]CC2)N1Cc1ccccc1 ZINC000096218158 265334325 /nfs/dbraw/zinc/33/43/25/265334325.db2.gz MIQXSWKBLISGSO-MRXNPFEDSA-N 1 0 258.365 2.321 40 0 CEABRO C[NH+]1CCC(NC(=O)c2ccc3c(c2)CCCC3)CC1 ZINC000047837409 277030555 /nfs/dbraw/zinc/03/05/55/277030555.db2.gz SMVFAKWTCCYROH-UHFFFAOYSA-N 1 0 272.392 2.389 40 0 CEABRO COc1ccc(-c2ccc(=O)n3c2[C@H]2C[NH2+]C[C@H](C2)C3)cc1 ZINC000004237378 277859707 /nfs/dbraw/zinc/85/97/07/277859707.db2.gz NYTOQLSQFKQSRK-GXTWGEPZSA-N 1 0 296.370 2.231 40 0 biogenic,in-vitro CEABRO COc1ccc2c(c1)C(=O)C[C@@H]([C@H]1CCC[NH2+]C1)O2 ZINC000072398079 277942476 /nfs/dbraw/zinc/94/24/76/277942476.db2.gz CPSTVGWSQCSIHA-BONVTDFDSA-N 1 0 261.321 2.029 40 0 CEABRO CS(=O)(=O)c1ccccc1[C@@H]([NH3+])c1ccccc1 ZINC000090587191 295561368 /nfs/dbraw/zinc/56/13/68/295561368.db2.gz OKKSKJOHMALCEG-AWEZNQCLSA-N 1 0 261.346 2.138 40 0 CEABRO COc1ccc(OC)c(N2CC[NH2+][C@@H]3CCC[C@@H]32)c1 ZINC000225717134 333182292 /nfs/dbraw/zinc/18/22/92/333182292.db2.gz AVNOMXBVIMRIKL-OLZOCXBDSA-N 1 0 262.353 2.035 40 0 CEABRO O=C1N(Cc2cccnc2)CC[C@@]12CCC[N@H+](CC1CC1)C2 ZINC000096048647 185072281 /nfs/dbraw/zinc/07/22/81/185072281.db2.gz KUYRFVVJNHWPHP-GOSISDBHSA-N 1 0 299.418 2.306 40 0 CEABRO c1cncc(O[C@H]2CO[C@@]3(C2)CCC[N@@H+](CC2CC2)C3)c1 ZINC000096048278 185072823 /nfs/dbraw/zinc/07/28/23/185072823.db2.gz ZBFMLLPEFXQEAR-IAGOWNOFSA-N 1 0 288.391 2.494 40 0 CEABRO CCOC[C@]12CCCO[C@H]1CC[N@H+](Cc1cccnc1)C2 ZINC000096056810 185077399 /nfs/dbraw/zinc/07/73/99/185077399.db2.gz QGEMVTUHWNOLFE-DLBZAZTESA-N 1 0 290.407 2.489 40 0 CEABRO CC(C)[N@H+](C)Cc1cnc2n1CCN(Cc1ccoc1)C2 ZINC000096061774 185082924 /nfs/dbraw/zinc/08/29/24/185082924.db2.gz WHRGRQURLPYRCE-UHFFFAOYSA-N 1 0 288.395 2.332 40 0 CEABRO COc1ccc(C[NH2+][C@@H]2CCc3[nH]c(=O)ccc3C2)cc1 ZINC000096067517 185085317 /nfs/dbraw/zinc/08/53/17/185085317.db2.gz PKBKWKVPSYHJAW-CQSZACIVSA-N 1 0 284.359 2.031 40 0 CEABRO CC(C)[C@H]([NH3+])C(=O)N(C)Cc1cccc(Cl)c1 ZINC000037799085 361942256 /nfs/dbraw/zinc/94/22/56/361942256.db2.gz ZKFBLLXOPUGHAJ-LBPRGKRZSA-N 1 0 254.761 2.282 40 0 CEABRO C[C@H]1CC[C@H](C)N1c1ccc(N2CCOCC2)c(N)c1 ZINC000008701410 343362848 /nfs/dbraw/zinc/36/28/48/343362848.db2.gz OLOLGOYRPYYLEQ-STQMWFEESA-N 1 0 275.396 2.483 40 0 CEABRO Cc1nc([C@@H]2CCCC[NH2+]2)ncc1C(=O)NC1CCCC1 ZINC000019766856 343374441 /nfs/dbraw/zinc/37/44/41/343374441.db2.gz HNMDWHSVFKSBLD-AWEZNQCLSA-N 1 0 288.395 2.272 40 0 CEABRO C[C@@H](C[NH2+]Cc1ccncc1)C(=O)OC(C)(C)C ZINC000047219066 362201984 /nfs/dbraw/zinc/20/19/84/362201984.db2.gz ZONNEQCMMBVWDY-NSHDSACASA-N 1 0 250.342 2.149 40 0 CEABRO Brc1ccccc1CO[C@H]1CC[NH2+]C1 ZINC000051782535 362438036 /nfs/dbraw/zinc/43/80/36/362438036.db2.gz WXPHVGQHCRPZJR-JTQLQIEISA-N 1 0 256.143 2.328 40 0 CEABRO C[NH+]1CCC(NC(=O)CSCc2ccccc2F)CC1 ZINC000222714497 530050159 /nfs/dbraw/zinc/05/01/59/530050159.db2.gz MLSHPKZZLBIDFT-UHFFFAOYSA-N 1 0 296.411 2.269 40 0 CEABRO [NH3+]C[C@H](c1ccc(N2CCCCC2)o1)N1CCCC1 ZINC000409442469 344890054 /nfs/dbraw/zinc/89/00/54/344890054.db2.gz VLSKVHBYOFTMND-CYBMUJFWSA-N 1 0 263.385 2.366 40 0 CEABRO O[C@H]1[C@H](Oc2ccccc2)CCC[C@@H]1[NH2+]C1CCOCC1 ZINC000585288650 345010309 /nfs/dbraw/zinc/01/03/09/345010309.db2.gz GQTOAYZKRNDVOE-GVDBMIGSSA-N 1 0 291.391 2.116 40 0 CEABRO Cn1cc(-c2noc(CCC[NH3+])n2)c2ccccc21 ZINC000085397302 179049752 /nfs/dbraw/zinc/04/97/52/179049752.db2.gz WDBGSOAWAUNLOD-UHFFFAOYSA-N 1 0 256.309 2.120 40 0 CEABRO [NH3+][C@@H]1CC(=O)N(C2CCCCC2)[C@@H]1c1cccnc1 ZINC000062211077 362714262 /nfs/dbraw/zinc/71/42/62/362714262.db2.gz DEVQHIRVQKIZIX-UKRRQHHQSA-N 1 0 259.353 2.015 40 0 CEABRO C[NH+]1CCC(NC(=S)Nc2ccc(F)c(F)c2)CC1 ZINC000063142661 362752143 /nfs/dbraw/zinc/75/21/43/362752143.db2.gz VPAWDGAVVPPRAI-UHFFFAOYSA-N 1 0 285.363 2.345 40 0 CEABRO c1cnc(N2CC[C@@H]3C[N@@H+](CC4CCC4)C[C@@H]3C2)cn1 ZINC000063527406 362769510 /nfs/dbraw/zinc/76/95/10/362769510.db2.gz SFLZTVOMSXTWTP-HUUCEWRRSA-N 1 0 272.396 2.035 40 0 CEABRO c1ccc(C[C@H]2CN3C[C@H](Cc4ccccc4)[NH+]=C3N2)cc1 ZINC000088462762 179608750 /nfs/dbraw/zinc/60/87/50/179608750.db2.gz WPGKFCUFRDEVPU-ROUUACIJSA-N 1 0 291.398 2.484 40 0 CEABRO CC(C)Oc1cccc(CNC(=O)[C@@H]2CCC[N@H+](C)C2)c1 ZINC000072984103 363189564 /nfs/dbraw/zinc/18/95/64/363189564.db2.gz OTWYYZASRMSQLY-OAHLLOKOSA-N 1 0 290.407 2.432 40 0 CEABRO Cc1ccccc1OC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](C)C1 ZINC000073048707 363194249 /nfs/dbraw/zinc/19/42/49/363194249.db2.gz QZJQGRTYWPIMOH-CABCVRRESA-N 1 0 290.407 2.220 40 0 CEABRO Cc1ccccc1C(=O)NCCC1CC[NH+](C)CC1 ZINC000156348215 188256462 /nfs/dbraw/zinc/25/64/62/188256462.db2.gz KRCACGSPTPDFJY-UHFFFAOYSA-N 1 0 260.381 2.457 40 0 CEABRO Fc1cnc(N2CCC3(CCC[N@@H+]3CC3CC3)CC2)nc1 ZINC000096063188 283033313 /nfs/dbraw/zinc/03/33/13/283033313.db2.gz PPHSJEMCCDBSFG-UHFFFAOYSA-N 1 0 290.386 2.461 40 0 CEABRO OCC[N@H+](C1CC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000079393547 363593387 /nfs/dbraw/zinc/59/33/87/363593387.db2.gz LDSRLKQLUBAIQE-QGZVFWFLSA-N 1 0 274.408 2.108 40 0 CEABRO CC(C)[C@H]([NH3+])C(=O)N(Cc1ccc(Cl)nc1)C(C)C ZINC000079421681 363599362 /nfs/dbraw/zinc/59/93/62/363599362.db2.gz YRGBYEXCKWGZDG-ZDUSSCGKSA-N 1 0 283.803 2.455 40 0 CEABRO CN(C[C@H]1CCC[NH2+]C1)C(=O)OCc1ccccc1 ZINC000079437750 363600137 /nfs/dbraw/zinc/60/01/37/363600137.db2.gz UMODLRUMOADCNC-AWEZNQCLSA-N 1 0 262.353 2.255 40 0 CEABRO COc1ccc([C@@H]([NH3+])[C@@H](O)c2ccc(OC)cc2)cc1 ZINC000001666004 361215309 /nfs/dbraw/zinc/21/53/09/361215309.db2.gz DUEBHXGFCXXGHK-CVEARBPZSA-N 1 0 273.332 2.437 40 0 in-vitro CEABRO CCn1cc(C[NH2+]CCc2ccc(OC)c(OC)c2)cn1 ZINC000002536450 361239165 /nfs/dbraw/zinc/23/91/65/361239165.db2.gz LWKKCDKPIYPZHQ-UHFFFAOYSA-N 1 0 289.379 2.253 40 0 CEABRO Cc1cc(C)c(C)c(OC[C@@H](O)C[NH2+]C(C)C)c1 ZINC000004305230 361310861 /nfs/dbraw/zinc/31/08/61/361310861.db2.gz WGDDOPXUENYDDS-AWEZNQCLSA-N 1 0 251.370 2.350 40 0 CEABRO Cc1cc(C)cc(CSCC(=O)NCC[NH+](C)C)c1 ZINC000013613212 361434684 /nfs/dbraw/zinc/43/46/84/361434684.db2.gz VCVRHFNNJRVPFV-UHFFFAOYSA-N 1 0 280.437 2.214 40 0 CEABRO Cc1ncc(-c2nc(C3CC[NH2+]CC3)cc(=O)[nH]2)s1 ZINC000019287384 361526867 /nfs/dbraw/zinc/52/68/67/361526867.db2.gz NJMIFOFHVCCZJZ-UHFFFAOYSA-N 1 0 276.365 2.081 40 0 CEABRO Cc1cc(C[N@@H+]2CCc3nc(C)[nH]c(=O)c3CC2)cs1 ZINC000019572072 361542856 /nfs/dbraw/zinc/54/28/56/361542856.db2.gz PFJOVWCRYLTUBS-UHFFFAOYSA-N 1 0 289.404 2.049 40 0 CEABRO Cc1cccc(NC(=O)COc2cccc(C[NH3+])c2)c1 ZINC000019404576 361530679 /nfs/dbraw/zinc/53/06/79/361530679.db2.gz QVSATCXMCBBMTF-UHFFFAOYSA-N 1 0 270.332 2.471 40 0 CEABRO CC[C@@H](CO)[NH2+]C[C@@H](O)COc1ccc(C(C)C)c(C)c1 ZINC000026781328 361644005 /nfs/dbraw/zinc/64/40/05/361644005.db2.gz ROJPOKKJRSSHPI-LSDHHAIUSA-N 1 0 295.423 2.219 40 0 CEABRO C[N@H+]1[C@@H]2CC[C@H]1CC(O)(c1ccc(Cl)nc1)C2 ZINC000027640677 361655850 /nfs/dbraw/zinc/65/58/50/361655850.db2.gz FXMMVMRYFLUIGL-QYJAPNMZSA-N 1 0 252.745 2.179 40 0 CEABRO C[NH+](C)C[C@H]1Cn2ccnc2CN(Cc2ccsc2)C1 ZINC000096188185 364406880 /nfs/dbraw/zinc/40/68/80/364406880.db2.gz WKXARTMTHDZVOX-CQSZACIVSA-N 1 0 290.436 2.138 40 0 CEABRO c1cc(C[NH+]2C[C@@H]3CN(c4ncccn4)C[C@H]3C2)cs1 ZINC000096053986 364400514 /nfs/dbraw/zinc/40/05/14/364400514.db2.gz NODGTYBVIOHWOS-ZIAGYGMSSA-N 1 0 286.404 2.106 40 0 CEABRO c1coc(C[N@@H+]2CCc3ncnc(N4CCCC4)c3CC2)c1 ZINC000096058714 364400675 /nfs/dbraw/zinc/40/06/75/364400675.db2.gz QMRMMRDKVVOPOL-UHFFFAOYSA-N 1 0 298.390 2.271 40 0 CEABRO c1ncn2c1C[N@@H+](C1CCC1)C[C@H](COc1cccnc1)C2 ZINC000096206791 364410309 /nfs/dbraw/zinc/41/03/09/364410309.db2.gz WNBAONWZGZSUSI-AWEZNQCLSA-N 1 0 298.390 2.341 40 0 CEABRO Cc1nc(CN2CCC3(C[NH+](CC4CC4)C3)C2)cs1 ZINC000096202516 364411507 /nfs/dbraw/zinc/41/15/07/364411507.db2.gz MXTFSBWIOXKOEW-UHFFFAOYSA-N 1 0 277.437 2.369 40 0 CEABRO CCOc1ncnc2c1CC[N@H+](Cc1ccc(C)o1)CC2 ZINC000096255601 364418892 /nfs/dbraw/zinc/41/88/92/364418892.db2.gz ZQCRPBYQRKYASK-UHFFFAOYSA-N 1 0 287.363 2.378 40 0 CEABRO CCO[C@H]1C[C@H]([NH2+][C@@H](C(N)=O)c2ccccc2)C1(C)C ZINC000195530619 189677156 /nfs/dbraw/zinc/67/71/56/189677156.db2.gz RTSJYORZFRGZHV-MELADBBJSA-N 1 0 276.380 2.006 40 0 CEABRO CC[NH+](CC)C[C@H]1CCC2(CN(C(=O)CC(C)C)C2)OC1 ZINC000585093681 367177246 /nfs/dbraw/zinc/17/72/46/367177246.db2.gz NABRXIHPIVOPIB-OAHLLOKOSA-N 1 0 296.455 2.382 40 0 CEABRO COc1ccc(CCCNC(=O)C2CC[NH+](C)CC2)cc1 ZINC000174731531 368061258 /nfs/dbraw/zinc/06/12/58/368061258.db2.gz HOVNDLYWTXVRIG-UHFFFAOYSA-N 1 0 290.407 2.086 40 0 CEABRO [NH3+][C@H]1[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218560211 370211437 /nfs/dbraw/zinc/21/14/37/370211437.db2.gz HLGWVPWZGOSSBP-KKUMJFAQSA-N 1 0 291.347 2.093 40 0 CEABRO O=C(NC1CC1)[C@H](c1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000217527170 370197269 /nfs/dbraw/zinc/19/72/69/370197269.db2.gz QKOSJXSMZBTSRE-HUUCEWRRSA-N 1 0 258.365 2.191 40 0 CEABRO Cc1cccnc1NC(=S)NCCC[NH+]1CCCC1 ZINC000225435066 370294484 /nfs/dbraw/zinc/29/44/84/370294484.db2.gz OSLRSSRSHDVMPM-UHFFFAOYSA-N 1 0 278.425 2.162 40 0 CEABRO Cc1nn(C(C)C)cc1C[NH2+]Cc1cnn(CCF)c1 ZINC000256050080 190003032 /nfs/dbraw/zinc/00/30/32/190003032.db2.gz COGPXDBGULGDDJ-UHFFFAOYSA-N 1 0 279.363 2.228 40 0 CEABRO Cc1cc(-c2ccc(N)nc2)cc([C@H]2CC[NH2+]C2)n1 ZINC000257209625 190012024 /nfs/dbraw/zinc/01/20/24/190012024.db2.gz BREQFUCHMMATRY-LBPRGKRZSA-N 1 0 254.337 2.111 40 0 CEABRO Cc1ncsc1C[N@@H+]1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC000257209453 190012179 /nfs/dbraw/zinc/01/21/79/190012179.db2.gz BQKVYVSFVJQENF-ZIAGYGMSSA-N 1 0 290.388 2.076 40 0 CEABRO Cn1ccnc1C[N@@H+]1CCC[C@@H]1CCc1ccncc1 ZINC000257209576 190012433 /nfs/dbraw/zinc/01/24/33/190012433.db2.gz BQXMNTZYQLRJKK-OAHLLOKOSA-N 1 0 270.380 2.412 40 0 CEABRO Cc1c[nH]nc1[C@@H]1CC[N@@H+](Cc2ccnn2C(C)C)C1 ZINC000257210309 190012485 /nfs/dbraw/zinc/01/24/85/190012485.db2.gz BUBHZMNNGCLVKF-CYBMUJFWSA-N 1 0 273.384 2.485 40 0 CEABRO CN(C(=O)c1cc([C@@H]2CCC[N@@H+]2C)ccn1)C1CCC1 ZINC000257212725 190013327 /nfs/dbraw/zinc/01/33/27/190013327.db2.gz CERLADNWEUDAIJ-HNNXBMFYSA-N 1 0 273.380 2.473 40 0 CEABRO CCn1nccc1-c1cccc([C@@H]2CCC[NH2+]C2)n1 ZINC000257217034 190013831 /nfs/dbraw/zinc/01/38/31/190013831.db2.gz CXEDEQJWJIIBEF-GFCCVEGCSA-N 1 0 256.353 2.432 40 0 CEABRO Cc1ncoc1C(=O)N1CCC[C@@H]2[N@H+](C)CCC[C@@]21C ZINC000257220895 190014764 /nfs/dbraw/zinc/01/47/64/190014764.db2.gz DMRFOBKAPUKTGI-WFASDCNBSA-N 1 0 277.368 2.072 40 0 CEABRO CCn1nccc1-c1cnc([C@H]2CCC[N@@H+]2C)cn1 ZINC000257224548 190015171 /nfs/dbraw/zinc/01/51/71/190015171.db2.gz FCGINBSAMSOYLW-CYBMUJFWSA-N 1 0 257.341 2.127 40 0 CEABRO CNC(=O)C[N@@H+]1CCC[C@H](Cc2cccc3ncccc23)C1 ZINC000257243911 190018283 /nfs/dbraw/zinc/01/82/83/190018283.db2.gz IJBLKEWCVYDNNA-CQSZACIVSA-N 1 0 297.402 2.235 40 0 CEABRO Cn1ccc(C[N@H+]2C[C@@H]3[C@H](Oc4cccnc4)CC[C@@H]3C2)n1 ZINC000257247603 190019454 /nfs/dbraw/zinc/01/94/54/190019454.db2.gz IZRCKOMJULZQFF-XOKHGSTOSA-N 1 0 298.390 2.105 40 0 CEABRO Cc1c(CN2CC[N@H+](C)[C@@H](c3ccccc3)C2)cnn1C ZINC000257265373 190022938 /nfs/dbraw/zinc/02/29/38/190022938.db2.gz LYJYESWOWCELET-QGZVFWFLSA-N 1 0 284.407 2.217 40 0 CEABRO O=C(C[N@@H+]1CCC[C@H]1CCc1ccncc1)N1CCCC1 ZINC000257272071 190023782 /nfs/dbraw/zinc/02/37/82/190023782.db2.gz NAYZAAWLXWNNJE-INIZCTEOSA-N 1 0 287.407 2.101 40 0 CEABRO c1cnc(C[NH+]2CCC(Cc3ccncc3)CC2)cn1 ZINC000257268624 190024109 /nfs/dbraw/zinc/02/41/09/190024109.db2.gz MMMNBMMMNWFFQB-UHFFFAOYSA-N 1 0 268.364 2.326 40 0 CEABRO CC(C)[N@@H+]1CCC[C@@H](c2cnc(-c3ccnn3C)cn2)C1 ZINC000257255813 190021453 /nfs/dbraw/zinc/02/14/53/190021453.db2.gz KIYQJNVWXMZNSC-CYBMUJFWSA-N 1 0 285.395 2.465 40 0 CEABRO COc1cc(C[N@H+]2C[C@H](OC)[C@]3(CCCO3)C2)ccc1F ZINC000257261951 190022331 /nfs/dbraw/zinc/02/23/31/190022331.db2.gz LJKLVFOUOQBCEI-HOTGVXAUSA-N 1 0 295.354 2.214 40 0 CEABRO Cc1cccnc1Nc1nccc([C@H]2CC[NH2+]C2)n1 ZINC000257282793 190025963 /nfs/dbraw/zinc/02/59/63/190025963.db2.gz OVIJDOJIYRQXDV-NSHDSACASA-N 1 0 255.325 2.001 40 0 CEABRO Cc1c[nH]c([C@H]2CCC[N@H+](Cc3[nH]cnc3C)C2)n1 ZINC000257283066 190026523 /nfs/dbraw/zinc/02/65/23/190026523.db2.gz OWQFAIRSPFEVBH-LBPRGKRZSA-N 1 0 259.357 2.129 40 0 CEABRO CC(C)c1nccn1-c1cncc([C@H]2CCC[NH2+]2)n1 ZINC000257318606 190033261 /nfs/dbraw/zinc/03/32/61/190033261.db2.gz VORQKQMWWWICMN-LLVKDONJSA-N 1 0 257.341 2.210 40 0 CEABRO c1ccc(Nc2cncc([C@H]3CCC[NH2+]C3)n2)nc1 ZINC000257321977 190033430 /nfs/dbraw/zinc/03/34/30/190033430.db2.gz WEDCOHUDSXBMCF-NSHDSACASA-N 1 0 255.325 2.082 40 0 CEABRO c1cncc(O[C@@H]2CC[C@@H]3C[N@@H+](Cc4cnccn4)C[C@H]23)c1 ZINC000257319910 190033804 /nfs/dbraw/zinc/03/38/04/190033804.db2.gz VUOQSXYQAAPUFH-XOKHGSTOSA-N 1 0 296.374 2.161 40 0 CEABRO C[C@@H]1CC[C@H](C[NH3+])N(C(=O)OCc2ccccc2)C1 ZINC000261508683 190040158 /nfs/dbraw/zinc/04/01/58/190040158.db2.gz VVQLVEABNKBPKW-TZMCWYRMSA-N 1 0 262.353 2.382 40 0 CEABRO Fc1cccc(N[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000306134028 376539943 /nfs/dbraw/zinc/53/99/43/376539943.db2.gz NCCDOUVKXMSRLE-ZIAGYGMSSA-N 1 0 250.317 2.149 40 0 CEABRO CCC[N@@H+]1C[C@@H]2CC[C@]3(CC(C)=NN3C(C)=O)[C@@H]2C1 ZINC000306134563 376540243 /nfs/dbraw/zinc/54/02/43/376540243.db2.gz NRUNORKAOHBWII-ZNMIVQPWSA-N 1 0 263.385 2.105 40 0 CEABRO c1cc(-c2ccc3nc([C@H]4CCC[NH2+]C4)nn3c2)ccn1 ZINC000306143055 376542556 /nfs/dbraw/zinc/54/25/56/376542556.db2.gz XRWLQXROBXOCOU-ZDUSSCGKSA-N 1 0 279.347 2.258 40 0 CEABRO O[C@@H]1CC[N@H+](Cc2ccncc2)[C@H]1Cc1ccccc1 ZINC000096200006 256820005 /nfs/dbraw/zinc/82/00/05/256820005.db2.gz WQFUXMMDJKIKSU-DLBZAZTESA-N 1 0 268.360 2.260 40 0 CEABRO CCOC(=O)[C@H](C[NH3+])[C@](C)(CC)Nc1ccccc1 ZINC000072210422 394592356 /nfs/dbraw/zinc/59/23/56/394592356.db2.gz CSLWMWGDLMDQTK-ZFWWWQNUSA-N 1 0 264.369 2.405 40 0 CEABRO [NH3+][C@@H]1CCN(Cc2ccc(Cl)cc2Cl)C1=O ZINC000255190361 394579694 /nfs/dbraw/zinc/57/96/94/394579694.db2.gz WTSGVPRAOMQIAR-SNVBAGLBSA-N 1 0 259.136 2.053 40 0 CEABRO Cc1cc(I)ncc1[C@@H](C)[NH3+] ZINC000072225988 394595581 /nfs/dbraw/zinc/59/55/81/394595581.db2.gz WKYLUCXHDWKPGJ-ZCFIWIBFSA-N 1 0 262.094 2.014 40 0 CEABRO Cc1ccc(N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)nn1 ZINC000396185144 395216102 /nfs/dbraw/zinc/21/61/02/395216102.db2.gz UBHAOKIFMKUUSO-CALCHBBNSA-N 1 0 294.402 2.353 40 0 CEABRO COc1ccc([C@H]2C[N@H+](C)[C@@H]3CCCN(C(C)=O)[C@@H]32)cc1 ZINC000257327490 286379069 /nfs/dbraw/zinc/37/90/69/286379069.db2.gz XBNXWXMTEAOEET-BRWVUGGUSA-N 1 0 288.391 2.104 40 0 CEABRO O=C(C[NH2+]CC1CCCCC1)NCc1ccco1 ZINC000004969199 170046870 /nfs/dbraw/zinc/04/68/70/170046870.db2.gz YTXAJNBQMBKHGS-UHFFFAOYSA-N 1 0 250.342 2.066 40 0 CEABRO CCN(CC)C(=O)COC[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000005708327 170131781 /nfs/dbraw/zinc/13/17/81/170131781.db2.gz YXGLGZVQMGKEBH-HUUCEWRRSA-N 1 0 282.428 2.136 40 0 CEABRO C/C=C\[C@@](O)(C(=O)O[C@@H]1C[NH+]2CCC1CC2)C1CCCC1 ZINC000005954609 170162061 /nfs/dbraw/zinc/16/20/61/170162061.db2.gz KFIKGORTYFCONO-HXMLOBCXSA-N 1 0 293.407 2.121 40 0 CEABRO CCN(CC)CC[NH2+]Cc1ccc(OC)c(OC)c1 ZINC000019919132 170927138 /nfs/dbraw/zinc/92/71/38/170927138.db2.gz YMDHOYMGWDTNAF-UHFFFAOYSA-N 1 0 266.385 2.135 40 0 CEABRO COc1ccc(C(=O)Nc2ccc(C[NH3+])cc2)cc1 ZINC000020224333 171086665 /nfs/dbraw/zinc/08/66/65/171086665.db2.gz MTLWTNKUYIBIJU-UHFFFAOYSA-N 1 0 256.305 2.406 40 0 CEABRO Cc1ccc(C)c(CC(=O)NCCC[NH+]2CCCC2)c1 ZINC000020460181 171209380 /nfs/dbraw/zinc/20/93/80/171209380.db2.gz VEDAQQPJDPGIEY-UHFFFAOYSA-N 1 0 274.408 2.448 40 0 CEABRO O=C(Nc1ccc(F)cc1Cl)C1CC[NH2+]CC1 ZINC000020595477 171264199 /nfs/dbraw/zinc/26/41/99/171264199.db2.gz NSMXQKFMQAGKCS-UHFFFAOYSA-N 1 0 256.708 2.417 40 0 CEABRO CC[C@@H](Oc1ccccc1Cl)C(=O)NCC[NH+](C)C ZINC000022519739 171389717 /nfs/dbraw/zinc/38/97/17/171389717.db2.gz QGSIUIJJGGGSAC-GFCCVEGCSA-N 1 0 284.787 2.175 40 0 CEABRO COc1ccc([C@H](C[NH3+])N2CCC[C@@H](C)C2)cc1OC ZINC000038808933 174156113 /nfs/dbraw/zinc/15/61/13/174156113.db2.gz KMKUYNUYBQBCBN-OCCSQVGLSA-N 1 0 278.396 2.436 40 0 CEABRO CCN(CC)[C@H](C[NH3+])c1cccc(OC)c1OC ZINC000038827649 174156929 /nfs/dbraw/zinc/15/69/29/174156929.db2.gz LAZWVOJYBIMUMK-GFCCVEGCSA-N 1 0 252.358 2.045 40 0 CEABRO Brc1ccc(CN[C@H]2CCC[NH2+]C2)cc1 ZINC000043324404 175007042 /nfs/dbraw/zinc/00/70/42/175007042.db2.gz HCKWREWOUDLNFM-LBPRGKRZSA-N 1 0 269.186 2.291 40 0 CEABRO Brc1cccc(CN[C@@H]2CCC[NH2+]C2)c1 ZINC000043327534 175009611 /nfs/dbraw/zinc/00/96/11/175009611.db2.gz WLMNLQFWBATCOW-GFCCVEGCSA-N 1 0 269.186 2.291 40 0 CEABRO c1ccc2nc(NC3CC[NH2+]CC3)c(NC3CC3)nc2c1 ZINC000044029870 175138999 /nfs/dbraw/zinc/13/89/99/175138999.db2.gz YVVGNBLNRRQMKD-UHFFFAOYSA-N 1 0 283.379 2.368 40 0 CEABRO Cc1ccnc(NC(=O)c2cc([C@@H]3CCC[NH2+]3)nc(C)n2)c1 ZINC000072365653 176380982 /nfs/dbraw/zinc/38/09/82/176380982.db2.gz RJDNRHOMFSYCNR-LBPRGKRZSA-N 1 0 297.362 2.165 40 0 CEABRO c1cnc(Nc2ccc([C@H]3CCCC[NH2+]3)cn2)cn1 ZINC000072376703 176385209 /nfs/dbraw/zinc/38/52/09/176385209.db2.gz JUDJPNOZPPOSCK-GFCCVEGCSA-N 1 0 255.325 2.430 40 0 CEABRO OCc1cccc(-c2cnc([C@@H]3CCC[NH2+]3)cn2)c1 ZINC000072386853 176392353 /nfs/dbraw/zinc/39/23/53/176392353.db2.gz UEDSRININKTUQV-ZDUSSCGKSA-N 1 0 255.321 2.060 40 0 CEABRO COc1cccc(CN2C[C@@H]3CCC[N@@H+]3C[C@H]2C)c1OC ZINC000072397537 176395276 /nfs/dbraw/zinc/39/52/76/176395276.db2.gz JKVMYIBCSWDHCB-HIFRSBDPSA-N 1 0 290.407 2.372 40 0 CEABRO COc1ccc(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)cc1OC ZINC000072397515 176395296 /nfs/dbraw/zinc/39/52/96/176395296.db2.gz AACBDFFUMQVXBK-ZFWWWQNUSA-N 1 0 290.407 2.372 40 0 CEABRO CC(C)(C)OCCn1cc(C2CC[NH2+]CC2)cn1 ZINC000585142735 419419115 /nfs/dbraw/zinc/41/91/15/419419115.db2.gz PPZFZTHYXAOERM-UHFFFAOYSA-N 1 0 251.374 2.165 40 0 CEABRO c1ccc(N2CCC[C@@]3(CC[N@@H+]([C@H]4CCOC4)C3)C2)nc1 ZINC000253596880 275067682 /nfs/dbraw/zinc/06/76/82/275067682.db2.gz XHXQCHGEJUTSKP-RDJZCZTQSA-N 1 0 287.407 2.163 40 0 CEABRO CN1CC[N@@H+](C2CCOCC2)C[C@@H]1c1ccccc1 ZINC000257268220 277103974 /nfs/dbraw/zinc/10/39/74/277103974.db2.gz MKSPTYXCZQVDMR-MRXNPFEDSA-N 1 0 260.381 2.154 40 0 CEABRO CN1c2ccccc2C2(CC[NH+](CC3CC3)CC2)C1=O ZINC000104998167 277217533 /nfs/dbraw/zinc/21/75/33/277217533.db2.gz ZWNUTSCMJSLQHW-UHFFFAOYSA-N 1 0 270.376 2.407 40 0 CEABRO CCC(=O)N(c1ccccc1)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC000257266368 278556538 /nfs/dbraw/zinc/55/65/38/278556538.db2.gz MCRNPOVLGHTXMA-HNNXBMFYSA-N 1 0 288.391 2.341 40 0 CEABRO C[C@H]1C[NH2+]CCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000054370365 279907344 /nfs/dbraw/zinc/90/73/44/279907344.db2.gz UZBJCOBTFXILSB-QMMMGPOBSA-N 1 0 273.163 2.427 40 0 CEABRO NC(=O)c1cccc([C@H]2CCC[N@@H+]2C2CCCC2)n1 ZINC000257333332 295189292 /nfs/dbraw/zinc/18/92/92/295189292.db2.gz YBCYZOPJQIADGX-CQSZACIVSA-N 1 0 259.353 2.260 40 0 CEABRO COC(=O)[C@H](C[NH3+])c1c[nH]c2ccc(Cl)cc21 ZINC000027852062 333207739 /nfs/dbraw/zinc/20/77/39/333207739.db2.gz HWVJWLYZXNIOBW-SECBINFHSA-N 1 0 252.701 2.037 40 0 CEABRO COc1ccc(NC(=S)NC2CC[NH+](C)CC2)cc1 ZINC000013775541 534181317 /nfs/dbraw/zinc/18/13/17/534181317.db2.gz OCXBSAROVDDHOW-UHFFFAOYSA-N 1 0 279.409 2.076 40 0 CEABRO CC(C)[N@H+](C)Cc1cnc2n1CCN(Cc1cccnc1)C2 ZINC000096061778 185083038 /nfs/dbraw/zinc/08/30/38/185083038.db2.gz AQRQVDIXQMBOAT-UHFFFAOYSA-N 1 0 299.422 2.134 40 0 CEABRO Cc1ccc(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2ccccn2)nn1 ZINC000096064062 185083744 /nfs/dbraw/zinc/08/37/44/185083744.db2.gz GCYODMMXAMATDJ-HOTGVXAUSA-N 1 0 295.390 2.033 40 0 CEABRO COC[C@]12CCCO[C@@H]1CC[N@H+](Cc1scnc1C)C2 ZINC000096065000 185084253 /nfs/dbraw/zinc/08/42/53/185084253.db2.gz MPWGFTVATGFOKA-HUUCEWRRSA-N 1 0 296.436 2.469 40 0 CEABRO CCOc1ccccc1[C@@H](C[NH3+])N1C[C@@H](C)O[C@H](C)C1 ZINC000036100782 361827471 /nfs/dbraw/zinc/82/74/71/361827471.db2.gz KUHBBCHKJVKJPO-UMVBOHGHSA-N 1 0 278.396 2.194 40 0 CEABRO Cc1ccc(CN(C(=O)[C@@H]([NH3+])C(C)C)C2CC2)cc1 ZINC000037809011 361948448 /nfs/dbraw/zinc/94/84/48/361948448.db2.gz UVAPSFMVSQCWIL-HNNXBMFYSA-N 1 0 260.381 2.469 40 0 CEABRO CC(C)(C)OC(=O)N1C[C@@H](C(F)(F)F)[C@@](C)([NH3+])C1 ZINC000199768291 539185344 /nfs/dbraw/zinc/18/53/44/539185344.db2.gz GPPSLMHYVAPNFI-XCBNKYQSSA-N 1 0 268.279 2.133 40 0 CEABRO c1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)C32OCCO2)cc1 ZINC000095642755 344237439 /nfs/dbraw/zinc/23/74/39/344237439.db2.gz JWYXZJIPWLIKSZ-GASCZTMLSA-N 1 0 259.349 2.272 40 0 CEABRO c1cncc([C@@H](C2CCSCC2)N2CC[NH2+]CC2)c1 ZINC000409437615 344889433 /nfs/dbraw/zinc/88/94/33/344889433.db2.gz AJPMVEIHIDQACW-OAHLLOKOSA-N 1 0 277.437 2.171 40 0 CEABRO COCC[C@H]1CCOC12CC[NH+](Cc1cccnc1)CC2 ZINC000585104065 345005598 /nfs/dbraw/zinc/00/55/98/345005598.db2.gz FVQVTLHQUJKLTR-INIZCTEOSA-N 1 0 290.407 2.489 40 0 CEABRO COc1ccc(C[C@H]2OCCC23CC[NH2+]CC3)cc1 ZINC000585261357 345008990 /nfs/dbraw/zinc/00/89/90/345008990.db2.gz BUMXLVOIVXLTPR-OAHLLOKOSA-N 1 0 261.365 2.396 40 0 CEABRO Cc1cccc(OC[C@]2(O)CC[N@H+](Cc3ccccn3)C2)c1 ZINC000585268936 345008992 /nfs/dbraw/zinc/00/89/92/345008992.db2.gz DZEMVCQBESEHDZ-SFHVURJKSA-N 1 0 298.386 2.406 40 0 CEABRO Cc1csc(-c2cc(C[C@@H]3CCC[NH2+]C3)ncn2)n1 ZINC000585179622 345009187 /nfs/dbraw/zinc/00/91/87/345009187.db2.gz LWNVRZUSOJIRJV-NSHDSACASA-N 1 0 274.393 2.451 40 0 CEABRO Cc1n[nH]c(C)c1C[N@@H+]1CC[C@H](Cc2ccccc2)[C@H](O)C1 ZINC000585278792 345009938 /nfs/dbraw/zinc/00/99/38/345009938.db2.gz GHKMUWRCSTYQFK-SJLPKXTDSA-N 1 0 299.418 2.452 40 0 CEABRO CCNc1ncc(C[NH2+]CCc2ccc(OC)cc2)cn1 ZINC000062717544 362721096 /nfs/dbraw/zinc/72/10/96/362721096.db2.gz OINAAJPCKIYMER-UHFFFAOYSA-N 1 0 286.379 2.249 40 0 CEABRO O=C1[C@@H]2C[N@H+](Cc3ccco3)C[C@@H]2CN1c1ccccc1 ZINC000107742831 186189195 /nfs/dbraw/zinc/18/91/95/186189195.db2.gz BGDQONXEAPMOTO-CZUORRHYSA-N 1 0 282.343 2.374 40 0 CEABRO O=C1CCC2(CC[NH+](Cc3ccsc3)CC2)CN1 ZINC000108530932 186221705 /nfs/dbraw/zinc/22/17/05/186221705.db2.gz PGXVZIJZTAFBAE-UHFFFAOYSA-N 1 0 264.394 2.240 40 0 CEABRO C[C@H](NC(=O)C1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000072799893 363166082 /nfs/dbraw/zinc/16/60/82/363166082.db2.gz DRMKBFNYKSICJK-NSHDSACASA-N 1 0 264.344 2.345 40 0 CEABRO CC(C)(C)OC(=O)NC1(C(F)(F)F)CC[NH2+]CC1 ZINC000199523860 540024615 /nfs/dbraw/zinc/02/46/15/540024615.db2.gz ARDURZHJNUKSSD-UHFFFAOYSA-N 1 0 268.279 2.196 40 0 CEABRO OCCN(C[C@@H]1CCCC[N@@H+]1Cc1ccccc1)C1CC1 ZINC000079393551 363593589 /nfs/dbraw/zinc/59/35/89/363593589.db2.gz IEQTULLHKUGKQD-SFHVURJKSA-N 1 0 288.435 2.498 40 0 CEABRO CC(C)(C)OC(=O)N1CCC[C@H]1CSCC[NH3+] ZINC000079392222 363593693 /nfs/dbraw/zinc/59/36/93/363593693.db2.gz FZJPJOMQCMHTTO-JTQLQIEISA-N 1 0 260.403 2.078 40 0 CEABRO O=C([O-])C[N@@H+]1CC[C@@H](C[NH+](Cc2ccccc2)C2CC2)C1 ZINC000079416236 363598386 /nfs/dbraw/zinc/59/83/86/363598386.db2.gz ZBXQQJHMZLWEKY-OAHLLOKOSA-N 1 0 288.391 2.058 40 0 CEABRO [NH3+]CC(=O)N(Cc1ccc(Cl)cc1Cl)C1CC1 ZINC000079420240 363598443 /nfs/dbraw/zinc/59/84/43/363598443.db2.gz CZEWNKFXIWUCJC-UHFFFAOYSA-N 1 0 273.163 2.443 40 0 CEABRO O=C(CSC1=[NH+]CCN1)c1ccc(Cl)cc1 ZINC000000374911 361167423 /nfs/dbraw/zinc/16/74/23/361167423.db2.gz VOGONKKGJKGMBS-UHFFFAOYSA-N 1 0 254.742 2.215 40 0 CEABRO COc1cc(OC)cc([C@@H](O)[C@H](C)[NH2+]C(C)C)c1 ZINC000001678259 361215918 /nfs/dbraw/zinc/21/59/18/361215918.db2.gz CMSDSKGZGXRVGT-HZMBPMFUSA-N 1 0 253.342 2.124 40 0 CEABRO CC(C)[C@@H]([NH3+])Cn1nc(-c2ccc(F)c(F)c2)ccc1=O ZINC000012145725 361373964 /nfs/dbraw/zinc/37/39/64/361373964.db2.gz MMFIYYIHAKRVGG-ZDUSSCGKSA-N 1 0 293.317 2.172 40 0 CEABRO Cc1c2c(nn1C)nc(N1CCC([NH3+])CC1)cc2C(F)F ZINC000012398928 361382297 /nfs/dbraw/zinc/38/22/97/361382297.db2.gz BMOVXDQGCWZUQH-UHFFFAOYSA-N 1 0 295.337 2.142 40 0 CEABRO CCn1nc2nc(N3CC[NH2+]CC3)cc(C(F)F)c2c1C ZINC000012398890 361383130 /nfs/dbraw/zinc/38/31/30/361383130.db2.gz PWLKHXNYZLWMEE-UHFFFAOYSA-N 1 0 295.337 2.107 40 0 CEABRO CCN(CC)C(=O)COC[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000013424999 361428214 /nfs/dbraw/zinc/42/82/14/361428214.db2.gz YXGLGZVQMGKEBH-CABCVRRESA-N 1 0 282.428 2.136 40 0 CEABRO Nc1cc[nH+]c2cc(I)ccc12 ZINC000033903134 283681776 /nfs/dbraw/zinc/68/17/76/283681776.db2.gz ANZLVKANMLYHDJ-UHFFFAOYSA-N 1 0 270.073 2.422 40 0 CEABRO COC(=O)[C@H]1C[C@@H]2c3cccc4[nH]cc(c43)C[C@H]2[N@H+](C)C1 ZINC000029483542 361685238 /nfs/dbraw/zinc/68/52/38/361685238.db2.gz OSKZYLPFYNARRX-NJZAAPMLSA-N 1 0 284.359 2.301 40 0 CEABRO Cc1cc(C)c(C)c(O[C@H](C)C(=O)NCC[NH+](C)C)c1 ZINC000030752487 361702718 /nfs/dbraw/zinc/70/27/18/361702718.db2.gz UPOODTYHEQNHSB-CQSZACIVSA-N 1 0 278.396 2.057 40 0 CEABRO CC(C)(C)c1ccc(OC[C@@H](O)C[NH2+]C2CC2)cc1 ZINC000032113125 361728123 /nfs/dbraw/zinc/72/81/23/361728123.db2.gz YIIUJBIYFWOHEB-AWEZNQCLSA-N 1 0 263.381 2.476 40 0 CEABRO Cc1ncc(C[NH2+]Cc2ccc(Cl)cc2)c(N)n1 ZINC000090487574 364059454 /nfs/dbraw/zinc/05/94/54/364059454.db2.gz GKFRMOUSJUBOID-UHFFFAOYSA-N 1 0 262.744 2.310 40 0 CEABRO CN(Cc1ccco1)[C@@H]1C[N@H+](CC2CC2)[C@@H]2CCCO[C@H]12 ZINC000096185988 364407406 /nfs/dbraw/zinc/40/74/06/364407406.db2.gz QWTOXKXZQXKRJH-ZACQAIPSSA-N 1 0 290.407 2.353 40 0 CEABRO c1ccc(C[N@@H+]2C[C@H]3CCN(c4cccnc4)C[C@H]3C2)nc1 ZINC000096081459 364399239 /nfs/dbraw/zinc/39/92/39/364399239.db2.gz OEFKMRUZQSFEIH-HZPDHXFCSA-N 1 0 294.402 2.435 40 0 CEABRO C(O[C@@H]1CC[C@H]2[C@H]1OCC[N@@H+]2C1CCC1)C1CC1 ZINC000096065782 364399805 /nfs/dbraw/zinc/39/98/05/364399805.db2.gz JBYROLVYWAISFN-RRFJBIMHSA-N 1 0 251.370 2.197 40 0 CEABRO Cc1noc(C)c1C(=O)N1C[C@H]2C[NH2+]C[C@@H]2c2ccccc21 ZINC000096088605 364400518 /nfs/dbraw/zinc/40/05/18/364400518.db2.gz PAHJJWYPOYMVIM-OCCSQVGLSA-N 1 0 297.358 2.255 40 0 CEABRO COc1ccc(C[N@H+]2C[C@H](OC)[C@H]3OCCC[C@H]32)cc1 ZINC000096057409 364400652 /nfs/dbraw/zinc/40/06/52/364400652.db2.gz WZEPJAZABBYNLP-PMPSAXMXSA-N 1 0 277.364 2.073 40 0 CEABRO COc1ccc(C[NH+]2CCC3(CCCC(=O)N3)CC2)cc1 ZINC000096158567 364402983 /nfs/dbraw/zinc/40/29/83/364402983.db2.gz PIEKAZXANDMLFC-UHFFFAOYSA-N 1 0 288.391 2.330 40 0 CEABRO O=C1CCCC2(CC[NH+](Cc3ccsc3)CC2)N1 ZINC000096158561 364403331 /nfs/dbraw/zinc/40/33/31/364403331.db2.gz HXDCWBXUNKKOTA-UHFFFAOYSA-N 1 0 264.394 2.383 40 0 CEABRO c1ncn2c1C[N@H+](CC1CC1)C[C@@H](COc1cccnc1)C2 ZINC000096209343 364412898 /nfs/dbraw/zinc/41/28/98/364412898.db2.gz ZOWFYNIPKFWMFH-OAHLLOKOSA-N 1 0 298.390 2.199 40 0 CEABRO C[N@@H+]1CCCC[C@]12CCCN(C(=O)c1cccnc1)C2 ZINC000096217572 364413221 /nfs/dbraw/zinc/41/32/21/364413221.db2.gz NMTDSXGPBCBHBM-MRXNPFEDSA-N 1 0 273.380 2.172 40 0 CEABRO CCC[NH+]1CCC2(C[C@@H](Oc3cccnc3)CO2)CC1 ZINC000096221748 364414681 /nfs/dbraw/zinc/41/46/81/364414681.db2.gz NJEVATBSVAVVMK-OAHLLOKOSA-N 1 0 276.380 2.494 40 0 CEABRO CC(C)C[N@@H+]1CCc2nc(NC(C)C)nc(N(C)C)c2C1 ZINC000096254058 364417014 /nfs/dbraw/zinc/41/70/14/364417014.db2.gz FRAGDLFVAAAWOV-UHFFFAOYSA-N 1 0 291.443 2.377 40 0 CEABRO Cc1nc(C)c2c(n1)CC[N@@H+](Cc1ccco1)CC2 ZINC000096254508 364418030 /nfs/dbraw/zinc/41/80/30/364418030.db2.gz JOSAGRRBRNCWFB-UHFFFAOYSA-N 1 0 257.337 2.287 40 0 CEABRO Cc1ncnc2c1CC[N@H+](Cc1ccc3c(c1)OCO3)CC2 ZINC000096254955 364418180 /nfs/dbraw/zinc/41/81/80/364418180.db2.gz QBZYIMXAJNBSEX-UHFFFAOYSA-N 1 0 297.358 2.115 40 0 CEABRO Cc1cnc(N2CC(c3[nH+]cn4ccccc34)C2)nc1 ZINC000096260734 364419072 /nfs/dbraw/zinc/41/90/72/364419072.db2.gz VVMKKIXZTGANIL-UHFFFAOYSA-N 1 0 265.320 2.037 40 0 CEABRO CC(=O)N1CCC[C@]2(CC[N@H+](Cc3ccoc3)C2)C1 ZINC000096268728 364419767 /nfs/dbraw/zinc/41/97/67/364419767.db2.gz MMIILQJHOYMBLC-OAHLLOKOSA-N 1 0 262.353 2.114 40 0 CEABRO COc1cccc(C(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)c1 ZINC000096268566 364419996 /nfs/dbraw/zinc/41/99/96/364419996.db2.gz PDEJUARFCIHTIZ-KRWDZBQOSA-N 1 0 288.391 2.253 40 0 CEABRO CC(C)CC(=O)N1CC2(C1)CC[C@@H](C[NH+]1CCCC1)CO2 ZINC000585093672 367177303 /nfs/dbraw/zinc/17/73/03/367177303.db2.gz DANNPFINKREGPW-HNNXBMFYSA-N 1 0 294.439 2.136 40 0 CEABRO CC(C)C[N@@H+]1CCC[C@]2(CCC(=O)N2CCF)CC1 ZINC000585099885 367177951 /nfs/dbraw/zinc/17/79/51/367177951.db2.gz QMRFDJXCMSEMFP-HNNXBMFYSA-N 1 0 270.392 2.459 40 0 CEABRO C[C@H]1C[C@]1(C[NH3+])[C@@H](O)c1ccc(Br)cc1 ZINC000216575778 370190133 /nfs/dbraw/zinc/19/01/33/370190133.db2.gz FWYXTFJWBKBSSN-KPXOXKRLSA-N 1 0 270.170 2.467 40 0 CEABRO CN1c2ncccc2C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000225492302 370299754 /nfs/dbraw/zinc/29/97/54/370299754.db2.gz ZIXVEXMTSCKYPZ-KRWDZBQOSA-N 1 0 297.402 2.285 40 0 biogenic,in-vitro CEABRO C[NH+](C)CC[C@@H]1CCOC12CN(Cc1ccccc1F)C2 ZINC000248140249 371163809 /nfs/dbraw/zinc/16/38/09/371163809.db2.gz SYQPCZMLIRSWDA-OAHLLOKOSA-N 1 0 292.398 2.368 40 0 CEABRO Cc1c[nH]nc1[C@H]1CCC[N@@H+](Cc2cccn2C)C1 ZINC000257344015 371612666 /nfs/dbraw/zinc/61/26/66/371612666.db2.gz ZVLBDGVHJKFUBZ-ZDUSSCGKSA-N 1 0 258.369 2.436 40 0 CEABRO COc1cccc(CC[NH2+]Cc2c(C)nn(C)c2F)c1 ZINC000256053315 190004852 /nfs/dbraw/zinc/00/48/52/190004852.db2.gz QYRPHKLHYPDEIW-UHFFFAOYSA-N 1 0 277.343 2.209 40 0 CEABRO Cc1c(C[NH2+]CCCOC(C)C)cnn1CC(F)F ZINC000256053584 190004987 /nfs/dbraw/zinc/00/49/87/190004987.db2.gz SAOOAMFRRLCQTA-UHFFFAOYSA-N 1 0 275.343 2.361 40 0 CEABRO CCCn1cc(C[NH2+]Cc2cn(CCC)nc2C)cn1 ZINC000256054356 190005495 /nfs/dbraw/zinc/00/54/95/190005495.db2.gz VZIHXBLTBXXSKM-UHFFFAOYSA-N 1 0 275.400 2.498 40 0 CEABRO COc1ccccc1[C@@H]1C[NH2+]CCN1Cc1nccs1 ZINC000257206304 190011529 /nfs/dbraw/zinc/01/15/29/190011529.db2.gz BCTLXZPJGMTFRS-ZDUSSCGKSA-N 1 0 289.404 2.298 40 0 CEABRO C[C@@]1(O)CC[N@H+](Cc2ccncc2)C[C@H]1Oc1ccccc1 ZINC000257226273 190015229 /nfs/dbraw/zinc/01/52/29/190015229.db2.gz FJYIJAFFIFWZIO-QZTJIDSGSA-N 1 0 298.386 2.486 40 0 CEABRO CC(C)n1cc(-c2nccnc2C[C@H]2CCC[NH2+]C2)cn1 ZINC000257269563 190023741 /nfs/dbraw/zinc/02/37/41/190023741.db2.gz MQMXEWNJMJTEHQ-CYBMUJFWSA-N 1 0 285.395 2.463 40 0 CEABRO c1cn2c(n1)nccc2[C@@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC000257276849 190025313 /nfs/dbraw/zinc/02/53/13/190025313.db2.gz NVJLWZFDALSBOM-CQSZACIVSA-N 1 0 279.347 2.114 40 0 CEABRO CC(C)n1cc(-c2cnc(C[C@H]3CCC[NH2+]C3)cn2)cn1 ZINC000257286756 190026951 /nfs/dbraw/zinc/02/69/51/190026951.db2.gz PMXNVUHIXAAFJT-CYBMUJFWSA-N 1 0 285.395 2.463 40 0 CEABRO C[N@@H+]1[C@H](Cc2ccccc2)C[C@H]2NC(=O)CCCC[C@@H]21 ZINC000257314794 190032609 /nfs/dbraw/zinc/03/26/09/190032609.db2.gz UYMADQTZQSNKRL-OAGGEKHMSA-N 1 0 272.392 2.361 40 0 CEABRO Cc1nc(N)sc1-c1cncc([C@@H]2CCC[N@@H+](C)C2)n1 ZINC000257327227 190034839 /nfs/dbraw/zinc/03/48/39/190034839.db2.gz XAOFQNFTSRRGKC-SNVBAGLBSA-N 1 0 289.408 2.300 40 0 CEABRO CCC(=O)N1CCC[C@@H](c2cc3c[nH+]cn3c(C)n2)C1 ZINC000257342369 190037380 /nfs/dbraw/zinc/03/73/80/190037380.db2.gz ZOHMKIDBJORMLF-GFCCVEGCSA-N 1 0 272.352 2.154 40 0 CEABRO COc1ccc(OC)c2c(NCCC[NH3+])ccnc12 ZINC000222682336 532995305 /nfs/dbraw/zinc/99/53/05/532995305.db2.gz VDBKTVZQDDXBKM-UHFFFAOYSA-N 1 0 261.325 2.013 40 0 CEABRO O=c1[nH]c2cc(Br)ccc2n1C1CC[NH2+]CC1 ZINC000034156080 285198602 /nfs/dbraw/zinc/19/86/02/285198602.db2.gz CPPROPWJNRGALK-UHFFFAOYSA-N 1 0 296.168 2.017 40 0 CEABRO OCc1ccc2[n+](c1)CC[C@@H]1c3ccccc3N[C@@H]21 ZINC000001630880 285299811 /nfs/dbraw/zinc/29/98/11/285299811.db2.gz UKJZAAHCIOGYKL-CZUORRHYSA-N 1 0 253.325 2.121 40 0 CEABRO C[C@H](O)C[NH2+]CCNCc1c(Cl)cccc1Cl ZINC000022075248 394474279 /nfs/dbraw/zinc/47/42/79/394474279.db2.gz YNMHQZHQJAOJJV-VIFPVBQESA-N 1 0 277.195 2.053 40 0 CEABRO CN(C)C(=O)C[C@@H](c1ccccc1)C1CC[NH2+]CC1 ZINC000072208357 394592362 /nfs/dbraw/zinc/59/23/62/394592362.db2.gz BMKPJFIIGKQWTL-HNNXBMFYSA-N 1 0 260.381 2.248 40 0 CEABRO C[C@@H]1C[NH2+]CCN1C(=O)c1cccc(C(F)(F)F)c1 ZINC000054369752 394560086 /nfs/dbraw/zinc/56/00/86/394560086.db2.gz WIFHDFFCOCYYNP-SECBINFHSA-N 1 0 272.270 2.139 40 0 CEABRO O=C1[C@@H]2C[N@H+](Cc3ccco3)C[C@H]2CN1c1ccccc1 ZINC000247703188 394534664 /nfs/dbraw/zinc/53/46/64/394534664.db2.gz BGDQONXEAPMOTO-XJKSGUPXSA-N 1 0 282.343 2.374 40 0 CEABRO CC[C@H]([NH3+])[C@H]1COC(C)(C)N1C(=O)OC(C)(C)C ZINC000072208802 394592258 /nfs/dbraw/zinc/59/22/58/394592258.db2.gz GNHNJLXZUVGRJW-VHSXEESVSA-N 1 0 258.362 2.096 40 0 CEABRO CCOC(=O)[C@H](C[NH3+])C(C)(C)Nc1ccc(OC)cc1 ZINC000072210417 394592287 /nfs/dbraw/zinc/59/22/87/394592287.db2.gz FFONIHQOCSNMJJ-ZDUSSCGKSA-N 1 0 280.368 2.024 40 0 CEABRO Cc1nc(CN2CC[C@]3(C2)C[NH2+]CCC3(F)F)cs1 ZINC000096239785 394678176 /nfs/dbraw/zinc/67/81/76/394678176.db2.gz IREFKGCVTLVIRA-GFCCVEGCSA-N 1 0 287.379 2.272 40 0 CEABRO [NH3+]CC1([C@H](O)c2cccc(Br)c2)CC1 ZINC000096527061 394697527 /nfs/dbraw/zinc/69/75/27/394697527.db2.gz RUABSIDHKDZZGB-SNVBAGLBSA-N 1 0 256.143 2.221 40 0 CEABRO CCOC(C[NH2+]Cc1cc(OC)ccc1OC)OCC ZINC000096530041 394698266 /nfs/dbraw/zinc/69/82/66/394698266.db2.gz JVUOTLZDNKNVEJ-UHFFFAOYSA-N 1 0 283.368 2.193 40 0 CEABRO C[C@H]([NH3+])Cc1cccc(I)c1 ZINC000003622093 169903939 /nfs/dbraw/zinc/90/39/39/169903939.db2.gz SSMQECSVMNPOLS-ZETCQYMHSA-N 1 0 261.106 2.181 40 0 in-vitro CEABRO c1ccc(CC2=[NH+][C@@H]3C=Cc4nsnc4[C@@H]3N2)cc1 ZINC000005682429 170127915 /nfs/dbraw/zinc/12/79/15/170127915.db2.gz KVIWBINWIUKDPJ-ZWNOBZJWSA-N 1 0 268.345 2.219 40 0 CEABRO C[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccc(F)cc2)C1 ZINC000006007641 170167540 /nfs/dbraw/zinc/16/75/40/170167540.db2.gz NERBENWZMZEVBI-TZMCWYRMSA-N 1 0 267.344 2.297 40 0 CEABRO COc1cc([C@H]2[NH2+]CC[C@@]3(O)CCCC[C@@H]23)ccc1O ZINC000006641590 170221241 /nfs/dbraw/zinc/22/12/41/170221241.db2.gz VIYIGAXHNUOMNI-MAZHCROVSA-N 1 0 277.364 2.357 40 0 CEABRO CC[NH+](CC)CC(=O)Nc1ccc(Cl)cc1N ZINC000008732431 170351579 /nfs/dbraw/zinc/35/15/79/170351579.db2.gz BJXMZSJEPZNBHF-UHFFFAOYSA-N 1 0 255.749 2.203 40 0 CEABRO CC[NH+](CC)CC(=O)Nc1ccc(Cl)c(N)c1 ZINC000008732427 170351601 /nfs/dbraw/zinc/35/16/01/170351601.db2.gz WSHODYKAPLWSKJ-UHFFFAOYSA-N 1 0 255.749 2.203 40 0 CEABRO COc1ccccc1OC[C@@H](O)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000008844709 170357337 /nfs/dbraw/zinc/35/73/37/170357337.db2.gz JCIMGDBTDRAMJY-KKUMJFAQSA-N 1 0 293.407 2.413 40 0 CEABRO C[C@@H](Cn1cncc1-c1cnn(C)c1)[NH+]1CCC(C)CC1 ZINC000019719478 170843080 /nfs/dbraw/zinc/84/30/80/170843080.db2.gz DXCPOLGXOMBIHY-AWEZNQCLSA-N 1 0 287.411 2.404 40 0 CEABRO O=C(NCC[NH+]1CCCCCC1)c1cccc(F)c1 ZINC000038641939 174150826 /nfs/dbraw/zinc/15/08/26/174150826.db2.gz KBZTVLYHVBAUQA-UHFFFAOYSA-N 1 0 264.344 2.432 40 0 CEABRO COc1ccc(OC)c([C@H](C[NH3+])N2CCC(C)CC2)c1 ZINC000038827644 174157478 /nfs/dbraw/zinc/15/74/78/174157478.db2.gz YMXPDGOMTISLEZ-HNNXBMFYSA-N 1 0 278.396 2.436 40 0 CEABRO CC[NH2+][C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000039952197 174177249 /nfs/dbraw/zinc/17/72/49/174177249.db2.gz AUHWJUIFKOMNQG-AWEZNQCLSA-N 1 0 262.353 2.397 40 0 CEABRO Cc1cc(Nc2cnccn2)nc([C@@H]2CCC[N@@H+](C)C2)n1 ZINC000072359947 176377086 /nfs/dbraw/zinc/37/70/86/176377086.db2.gz OOWFHNZAELRRSJ-GFCCVEGCSA-N 1 0 284.367 2.128 40 0 CEABRO Cn1ccnc1CNc1cccc(C2CC[NH+](C)CC2)n1 ZINC000072365424 176380373 /nfs/dbraw/zinc/38/03/73/176380373.db2.gz LKQMNENBOMTBDO-UHFFFAOYSA-N 1 0 285.395 2.236 40 0 CEABRO CNc1cncc(C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)n1 ZINC000072367456 176381732 /nfs/dbraw/zinc/38/17/32/176381732.db2.gz SWIXNKSEQUPSMS-HUUCEWRRSA-N 1 0 290.411 2.001 40 0 CEABRO c1cn2c(n1)nccc2[C@@H]1CC[N@@H+](Cc2ccncc2)C1 ZINC000072367947 176382127 /nfs/dbraw/zinc/38/21/27/176382127.db2.gz LNYRJIPXBSYOCP-CQSZACIVSA-N 1 0 279.347 2.114 40 0 CEABRO Cc1nc(NCCc2ccccc2)cc([C@H]2C[NH2+]CCO2)n1 ZINC000072386671 176391973 /nfs/dbraw/zinc/39/19/73/176391973.db2.gz SFGUQZPMQGSDAA-MRXNPFEDSA-N 1 0 298.390 2.101 40 0 CEABRO c1cnc2c(n[nH]c2[C@H]2CCC[N@@H+](C3CCCC3)C2)n1 ZINC000072395871 176394491 /nfs/dbraw/zinc/39/44/91/176394491.db2.gz BLJONTVNWDEAGF-NSHDSACASA-N 1 0 271.368 2.475 40 0 CEABRO Cc1cccnc1-n1cccc1C[N@@H+]1CCC[C@H](CO)C1 ZINC000072397856 176395367 /nfs/dbraw/zinc/39/53/67/176395367.db2.gz LJZSYCIDBKWIJK-HNNXBMFYSA-N 1 0 285.391 2.385 40 0 CEABRO Cc1ccc2c(c1)[C@@H](NC(=O)N(C)C)CC21CC[NH2+]CC1 ZINC000096241782 265345758 /nfs/dbraw/zinc/34/57/58/265345758.db2.gz XNEJWGLDLGIETD-HNNXBMFYSA-N 1 0 287.407 2.332 40 0 CEABRO CC(C)(C)OC(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000095836190 275823935 /nfs/dbraw/zinc/82/39/35/275823935.db2.gz OCTLOCGNRWISQP-NWDGAFQWSA-N 1 0 254.374 2.243 40 0 CEABRO CC(=O)NCc1cc([C@H]2CCC[N@H+]2C(C)C)ccn1 ZINC000257284344 278124069 /nfs/dbraw/zinc/12/40/69/278124069.db2.gz PCHGPFRHCHSVDU-OAHLLOKOSA-N 1 0 261.369 2.263 40 0 CEABRO C[C@@H]1C[NH2+]CCN1C(=O)c1ccc(C(F)(F)F)cc1 ZINC000054370120 278837688 /nfs/dbraw/zinc/83/76/88/278837688.db2.gz TUUOPSOWHSOERB-SECBINFHSA-N 1 0 272.270 2.139 40 0 CEABRO Cc1c[nH]c([C@@H]2CC[N@H+](CC3(O)CCCCC3)C2)n1 ZINC000257238013 280279109 /nfs/dbraw/zinc/27/91/09/280279109.db2.gz HJFFKSZCTLBLIH-CYBMUJFWSA-N 1 0 263.385 2.203 40 0 CEABRO COc1cccc2cc(C(=O)NCCC[NH+](C)C)oc21 ZINC000078761979 326924330 /nfs/dbraw/zinc/92/43/30/326924330.db2.gz UHKCVXJPIMTKLE-UHFFFAOYSA-N 1 0 276.336 2.123 40 0 CEABRO [NH3+][C@H](Cc1ccccc1)c1nnc(-c2ccncc2)[nH]1 ZINC000095534821 185007882 /nfs/dbraw/zinc/00/78/82/185007882.db2.gz LGDFIDJTQXCOCA-CYBMUJFWSA-N 1 0 265.320 2.109 40 0 CEABRO [NH3+][C@H](Cc1ccccc1)c1nc(-c2cccnc2)n[nH]1 ZINC000095534851 185008146 /nfs/dbraw/zinc/00/81/46/185008146.db2.gz FHYSDNXNJJZTOE-CYBMUJFWSA-N 1 0 265.320 2.109 40 0 CEABRO CCOC[C@@H]1CCC[C@@]12C[N@H+](CC1CCOCC1)CCO2 ZINC000096051878 185074249 /nfs/dbraw/zinc/07/42/49/185074249.db2.gz YWEOLEHBYKGXFN-DLBZAZTESA-N 1 0 297.439 2.321 40 0 CEABRO CO[C@H]1CO[C@@]2(CC[N@H+](Cc3ccccc3F)C2)C1 ZINC000096072178 185088034 /nfs/dbraw/zinc/08/80/34/185088034.db2.gz CRADNAIOGBRIIJ-HIFRSBDPSA-N 1 0 265.328 2.206 40 0 CEABRO COCC[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1ccncc1)C2 ZINC000096089853 185094987 /nfs/dbraw/zinc/09/49/87/185094987.db2.gz HVAHXPKUFJYZSK-IRXDYDNUSA-N 1 0 290.407 2.489 40 0 CEABRO COc1cccc([C@H](C[NH3+])N2CCC[C@H](C)C2)c1OC ZINC000036100775 361828364 /nfs/dbraw/zinc/82/83/64/361828364.db2.gz IBVVTNVBRHXFIS-JSGCOSHPSA-N 1 0 278.396 2.436 40 0 CEABRO O=C(Nc1cccc(Cl)c1)NC1CC[NH2+]CC1 ZINC000037116582 361898447 /nfs/dbraw/zinc/89/84/47/361898447.db2.gz KGIJTTDBOVKFPW-UHFFFAOYSA-N 1 0 253.733 2.214 40 0 CEABRO CC(C)(C)OC(=O)N1C[C@@H](C(F)(F)F)[C@](C)(C[NH3+])C1 ZINC000199768709 539185345 /nfs/dbraw/zinc/18/53/45/539185345.db2.gz ZDSLCPXFSMRFLB-LDYMZIIASA-N 1 0 282.306 2.381 40 0 CEABRO CNc1cc(N2CCc3cc([C@@H](C)O)ccc3C2)nc(C)[nH+]1 ZINC000329012106 136377433 /nfs/dbraw/zinc/37/74/33/136377433.db2.gz MJLIRJSHIGKKFI-LLVKDONJSA-N 1 0 298.390 2.443 40 0 CEABRO O=C(C[NH2+]CCc1ccccc1)c1cccc(O)c1 ZINC000071618574 343801448 /nfs/dbraw/zinc/80/14/48/343801448.db2.gz IUZZTUAFPBHQOS-UHFFFAOYSA-N 1 0 255.317 2.407 40 0 CEABRO CC(=O)c1c(C)n(O)c2ccc(Br)cc2[n+]1=O ZINC000136728237 344385822 /nfs/dbraw/zinc/38/58/22/344385822.db2.gz KINDPKCHBKFHTG-UHFFFAOYSA-N 1 0 298.116 2.067 40 0 CEABRO [NH3+][C@H]1CCN(Cc2ccc(F)c(Br)c2)C1 ZINC000050227623 362412200 /nfs/dbraw/zinc/41/22/00/362412200.db2.gz HKVRNWUNDNJVGT-VIFPVBQESA-N 1 0 273.149 2.121 40 0 CEABRO CN(C(=O)OC(C)(C)C)[C@H](C(=[NH2+])NO)C1CCCC1 ZINC000409437566 344889140 /nfs/dbraw/zinc/88/91/40/344889140.db2.gz ACUQGUCVBMTTAJ-JTQLQIEISA-N 1 0 271.361 2.368 40 0 CEABRO CN(C(=O)OC(C)(C)C)C1(C(=[NH2+])NO)CCCC1 ZINC000409438429 344889517 /nfs/dbraw/zinc/88/95/17/344889517.db2.gz COYWJVGSZORAQF-UHFFFAOYSA-N 1 0 257.334 2.122 40 0 CEABRO C[C@@H]1C[NH2+]CCN1C(=O)c1ccc2ccccc2c1 ZINC000054370318 362532056 /nfs/dbraw/zinc/53/20/56/362532056.db2.gz ZVNDUDFNSYKRDR-GFCCVEGCSA-N 1 0 254.333 2.274 40 0 CEABRO C[C@@H]1C[NH2+]CCN1Cc1ccccc1Br ZINC000054373105 362533193 /nfs/dbraw/zinc/53/31/93/362533193.db2.gz CUEMRYATTOTBBS-SNVBAGLBSA-N 1 0 269.186 2.243 40 0 CEABRO [NH3+]CC1([C@H](O)c2cccc(Cl)c2)CCOCC1 ZINC000085395765 179049122 /nfs/dbraw/zinc/04/91/22/179049122.db2.gz QXFYQNMXPSJNKV-GFCCVEGCSA-N 1 0 255.745 2.129 40 0 CEABRO C[C@H]1CN(C(=O)c2ccccc2C(F)(F)F)CC[NH2+]1 ZINC000067799668 290782813 /nfs/dbraw/zinc/78/28/13/290782813.db2.gz NSOVCIXUIODRBQ-VIFPVBQESA-N 1 0 272.270 2.139 40 0 CEABRO Cc1cc(C)nc(NCCC[NH2+]Cc2ccncc2)n1 ZINC000062717850 362721459 /nfs/dbraw/zinc/72/14/59/362721459.db2.gz KBVFVQFRYCDTEM-UHFFFAOYSA-N 1 0 271.368 2.080 40 0 CEABRO CC(C)(C)OC(=O)Nc1ncnc2sc(C[NH3+])cc21 ZINC000090608982 180011774 /nfs/dbraw/zinc/01/17/74/180011774.db2.gz RKHJVOREMMOXOH-UHFFFAOYSA-N 1 0 280.353 2.497 40 0 CEABRO CN(C)C(=O)[C@H]1CCC[C@]12CC[N@H+](Cc1ccncc1)C2 ZINC000108526821 186221311 /nfs/dbraw/zinc/22/13/11/186221311.db2.gz FQJZGXQTMMNVHU-NVXWUHKLSA-N 1 0 287.407 2.162 40 0 CEABRO CN(C)C(=O)[C@H]1CCC[C@]12CC[N@H+](Cc1cccnc1)C2 ZINC000108535621 186221896 /nfs/dbraw/zinc/22/18/96/186221896.db2.gz NJSPWOZGJRDLMX-NVXWUHKLSA-N 1 0 287.407 2.162 40 0 CEABRO O=C1NCC[C@]12CCC[N@H+](Cc1ccsc1)CC2 ZINC000108532376 186222085 /nfs/dbraw/zinc/22/20/85/186222085.db2.gz LRNZOGHWDQEIKA-AWEZNQCLSA-N 1 0 264.394 2.240 40 0 CEABRO COc1ccc(C)cc1NC(=O)C1CC[NH+](C)CC1 ZINC000074713367 363375727 /nfs/dbraw/zinc/37/57/27/363375727.db2.gz LYPOIYFPYGYJMO-UHFFFAOYSA-N 1 0 262.353 2.284 40 0 CEABRO Brc1ccc([C@@H]2C[C@@H]2CN2CC[NH2+]CC2)cc1 ZINC000575424320 366284225 /nfs/dbraw/zinc/28/42/25/366284225.db2.gz YWNHAKLRYRIPIH-OCCSQVGLSA-N 1 0 295.224 2.458 40 0 CEABRO Cn1c2ccccc2nc1C[C@H](C[NH3+])C(F)(F)F ZINC000575425884 366284412 /nfs/dbraw/zinc/28/44/12/366284412.db2.gz ZWQKOEBSSMTQLL-MRVPVSSYSA-N 1 0 257.259 2.253 40 0 CEABRO Cc1cc(N2CC[NH+](C)CC2)nc2c(O)cccc12 ZINC000258051244 540324059 /nfs/dbraw/zinc/32/40/59/540324059.db2.gz SVILXJRKZUSHNX-UHFFFAOYSA-N 1 0 257.337 2.001 40 0 CEABRO Nc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000000055272 361122363 /nfs/dbraw/zinc/12/23/63/361122363.db2.gz MKNQZZGCGYYGOH-GOEBONIOSA-N 1 0 287.407 2.263 40 0 CEABRO [NH2+]=C(NC[C@@H](O)c1ccccc1)Nc1ccccc1 ZINC000001606751 361211450 /nfs/dbraw/zinc/21/14/50/361211450.db2.gz AZNXXFIUQNYYDT-CQSZACIVSA-N 1 0 255.321 2.356 40 0 CEABRO CC[NH+](CC)CCOc1ccc(NC(C)=O)cc1 ZINC000001649289 361213523 /nfs/dbraw/zinc/21/35/23/361213523.db2.gz IPELSXQZJAYCEQ-UHFFFAOYSA-N 1 0 250.342 2.366 40 0 CEABRO CCc1ccc(-c2ccc(N3CC[NH2+]CC3)nn2)cc1 ZINC000011567978 361359324 /nfs/dbraw/zinc/35/93/24/361359324.db2.gz LYDVWNRHPWQTAN-UHFFFAOYSA-N 1 0 268.364 2.116 40 0 CEABRO COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@H+](C)C1 ZINC000082326191 363765388 /nfs/dbraw/zinc/76/53/88/363765388.db2.gz NOMUHRXMJSXSEN-LBPRGKRZSA-N 1 0 262.353 2.284 40 0 CEABRO C=Cn1ncc(C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)c1C ZINC000012146534 361374694 /nfs/dbraw/zinc/37/46/94/361374694.db2.gz XKJBIGFPYFIZLS-CVEARBPZSA-N 1 0 275.396 2.419 40 0 CEABRO Cc1ccc2[nH]c3nc(SCC[NH+](C)C)nnc3c2c1 ZINC000018996408 361520083 /nfs/dbraw/zinc/52/00/83/361520083.db2.gz YYWNDWIQENDYAP-UHFFFAOYSA-N 1 0 287.392 2.468 40 0 CEABRO COc1ccc(C[N@@H+]2CC[C@@H](c3cc(=O)[nH]c(C)n3)C2)cc1 ZINC000019285244 361525647 /nfs/dbraw/zinc/52/56/47/361525647.db2.gz WBMJTKMHUYYTFG-CQSZACIVSA-N 1 0 299.374 2.076 40 0 CEABRO [NH3+]C1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000019281751 361525730 /nfs/dbraw/zinc/52/57/30/361525730.db2.gz DUGZRSKBGCPXAI-UHFFFAOYSA-N 1 0 272.270 2.269 40 0 CEABRO CCc1noc(C)c1C(=O)NC[C@@H]1CCCC[N@H+]1CC ZINC000019521278 361541964 /nfs/dbraw/zinc/54/19/64/361541964.db2.gz CSAINSJXKBKGSK-LBPRGKRZSA-N 1 0 279.384 2.150 40 0 CEABRO CCOC(=N)c1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000089212571 363950038 /nfs/dbraw/zinc/95/00/38/363950038.db2.gz QTRYTQBOQQEMAJ-UHFFFAOYSA-N 1 0 262.353 2.005 40 0 CEABRO CS(=O)(=O)c1ccccc1[C@H]([NH3+])c1ccccc1 ZINC000090587189 364062811 /nfs/dbraw/zinc/06/28/11/364062811.db2.gz OKKSKJOHMALCEG-CQSZACIVSA-N 1 0 261.346 2.138 40 0 CEABRO c1ccc(N2CC[C@H]3[C@@H]2CC[N@H+]3CC2CCOCC2)nc1 ZINC000096184435 364407674 /nfs/dbraw/zinc/40/76/74/364407674.db2.gz YRHITWJVNXSXKP-HOTGVXAUSA-N 1 0 287.407 2.161 40 0 CEABRO C[N@@H+]1CC[C@@]2(C1)CCC[C@@H](CNC(=O)c1ccsc1)O2 ZINC000096208639 364412841 /nfs/dbraw/zinc/41/28/41/364412841.db2.gz BAIYODQYLBSSFB-DZGCQCFKSA-N 1 0 294.420 2.121 40 0 CEABRO Cc1ccc(C[NH+]2CCC3(C[C@@H]3C(=O)N(C)C)CC2)o1 ZINC000096227792 364414271 /nfs/dbraw/zinc/41/42/71/364414271.db2.gz ASZXKMFDJPCCOU-CQSZACIVSA-N 1 0 276.380 2.278 40 0 CEABRO O=C([C@@H]1CCCO1)N1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC000096227894 364415315 /nfs/dbraw/zinc/41/53/15/364415315.db2.gz RVGCVEUINIQISH-HNNXBMFYSA-N 1 0 292.423 2.032 40 0 CEABRO Fc1cccnc1N1CC[C@@]2(C1)C[NH2+]CCC2(F)F ZINC000096239812 364415826 /nfs/dbraw/zinc/41/58/26/364415826.db2.gz WJYARGSJASZEKY-LBPRGKRZSA-N 1 0 271.286 2.046 40 0 CEABRO CC[N@@H+]1CC[C@@]2(C1)COCc1cnc(-c3cccnc3)nc12 ZINC000096244282 364416851 /nfs/dbraw/zinc/41/68/51/364416851.db2.gz DUUDUSBRGORMPC-QGZVFWFLSA-N 1 0 296.374 2.032 40 0 CEABRO O=C1C[C@H]2[C@H](CC[N@@H+]2Cc2ccsc2)N1CC1CC1 ZINC000096245874 364416972 /nfs/dbraw/zinc/41/69/72/364416972.db2.gz PSBXRYJPWORANQ-KBPBESRZSA-N 1 0 276.405 2.333 40 0 CEABRO O=C(Nc1ccccc1)[C@H]1C[C@@H]2C[N@H+](CC3CC3)C[C@H]1O2 ZINC000096253405 364417314 /nfs/dbraw/zinc/41/73/14/364417314.db2.gz NHHKKJZQVBRHEV-OWCLPIDISA-N 1 0 286.375 2.124 40 0 CEABRO c1ccc(-c2ncnc3c2CC[N@H+]([C@H]2CCOC2)CC3)cc1 ZINC000096255375 364418935 /nfs/dbraw/zinc/41/89/35/364418935.db2.gz BRSYLANQGCFRAR-HNNXBMFYSA-N 1 0 295.386 2.333 40 0 CEABRO CCc1ncnc2c1CC[N@H+](Cc1ccccn1)CC2 ZINC000096255021 364419086 /nfs/dbraw/zinc/41/90/86/364419086.db2.gz VRKGDJBZAIPRRS-UHFFFAOYSA-N 1 0 268.364 2.035 40 0 CEABRO COc1ccc2c3c1O[C@@H]1C=CC=C4[C@H](C2)[N@H+](C)CC[C@]341 ZINC000096316386 364420977 /nfs/dbraw/zinc/42/09/77/364420977.db2.gz UYDXNVYSAYJCMN-JOQOYGCGSA-N 1 0 281.355 2.450 40 0 biogenic,in-vitro CEABRO CC[C@@H](C)[N@@H+]1CCC[C@@]2(CN(Cc3cncs3)C2=O)C1 ZINC000585099711 367177150 /nfs/dbraw/zinc/17/71/50/367177150.db2.gz ZJARAEIXWPJORA-DOMZBBRYSA-N 1 0 293.436 2.366 40 0 CEABRO C[N@@H+]1CCC[C@@]12CCCN(C(=O)c1ccncc1)CC2 ZINC000585100140 367177297 /nfs/dbraw/zinc/17/72/97/367177297.db2.gz GRMJMJMBNWDUNP-INIZCTEOSA-N 1 0 273.380 2.172 40 0 CEABRO CN1C[C@@]2(CCC[N@H+](CC3CCCCC3)C2)C1=O ZINC000585099352 367177315 /nfs/dbraw/zinc/17/73/15/367177315.db2.gz GXCCMVQNPAVUCT-OAHLLOKOSA-N 1 0 250.386 2.121 40 0 CEABRO O=C([C@H]1CCC[C@@]12CC[N@H+](CC1CC1)C2)N1CC(F)(F)C1 ZINC000108531117 296116719 /nfs/dbraw/zinc/11/67/19/296116719.db2.gz HKEHDJZHPRFTIW-HIFRSBDPSA-N 1 0 298.377 2.366 40 0 CEABRO COc1ccccc1CCNC(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000230293973 370451539 /nfs/dbraw/zinc/45/15/39/370451539.db2.gz PORPMUBLYNLMKT-OAHLLOKOSA-N 1 0 290.407 2.132 40 0 CEABRO C(O[C@H]1[C@H]2CC[C@@H]1[N@H+](CC1CC1)CCO2)C1CC1 ZINC000247978649 371151922 /nfs/dbraw/zinc/15/19/22/371151922.db2.gz WXHHRBMHULUJSW-RRFJBIMHSA-N 1 0 251.370 2.055 40 0 CEABRO Cc1nc(CO[C@@H]2CSC3(C[NH+](C)C3)C2)cs1 ZINC000248015744 371155677 /nfs/dbraw/zinc/15/56/77/371155677.db2.gz HLTLFGBEDABONB-NSHDSACASA-N 1 0 270.423 2.158 40 0 CEABRO CC1(C)Oc2c(O)cccc2[C@H]2O[C@H]3CC[NH2+][C@@H]3C[C@@H]21 ZINC000257204877 371611292 /nfs/dbraw/zinc/61/12/92/371611292.db2.gz AWQUBLMSBHTYDC-UZGDPCLZSA-N 1 0 275.348 2.371 40 0 CEABRO FCCn1nccc1C[NH2+]Cc1ccc(F)cc1 ZINC000256051838 190003535 /nfs/dbraw/zinc/00/35/35/190003535.db2.gz KRSYWWSJDXEJQV-UHFFFAOYSA-N 1 0 251.280 2.282 40 0 CEABRO CC(C)OCCC[NH2+]Cc1cnn(C)c1C(F)(F)F ZINC000256052060 190003590 /nfs/dbraw/zinc/00/35/90/190003590.db2.gz LTBBJBFXDXTMBK-UHFFFAOYSA-N 1 0 279.306 2.344 40 0 CEABRO CCCn1cc(C[NH2+]Cc2c(C)cnn2CC)cn1 ZINC000256051722 190003738 /nfs/dbraw/zinc/00/37/38/190003738.db2.gz KIFSQFVNSAHXOO-UHFFFAOYSA-N 1 0 261.373 2.108 40 0 CEABRO CC[NH+](CC)CCCNCc1cnn(CC(F)(F)F)c1 ZINC000256050975 190003987 /nfs/dbraw/zinc/00/39/87/190003987.db2.gz HGEOOSURGXFVCW-UHFFFAOYSA-N 1 0 292.349 2.267 40 0 CEABRO Cc1nn(C2CCCC2)cc1C[NH2+]Cc1ccnn1C ZINC000256053140 190004325 /nfs/dbraw/zinc/00/43/25/190004325.db2.gz QEMJNUFSHLSQHX-UHFFFAOYSA-N 1 0 273.384 2.330 40 0 CEABRO CCCn1nccc1-c1cncc(CC2CC[NH2+]CC2)n1 ZINC000257225494 190015580 /nfs/dbraw/zinc/01/55/80/190015580.db2.gz FGMKWARHOBMZHY-UHFFFAOYSA-N 1 0 285.395 2.292 40 0 CEABRO O[C@@H]1C[C@H]2C[N@H+](Cc3ccc4ncccc4c3)C[C@H]2C1 ZINC000257222441 190014654 /nfs/dbraw/zinc/01/46/54/190014654.db2.gz DTHXHPMQNXNBFJ-ZSHCYNCHSA-N 1 0 268.360 2.438 40 0 CEABRO CN(C(=O)c1cn[nH]c1[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000257244197 190019402 /nfs/dbraw/zinc/01/94/02/190019402.db2.gz IKISEWKRMXFEPC-CYBMUJFWSA-N 1 0 270.336 2.111 40 0 CEABRO Cc1cn(C)c([C@@H]2CCC[N@H+](Cc3[nH]cnc3C)C2)n1 ZINC000257272261 190023963 /nfs/dbraw/zinc/02/39/63/190023963.db2.gz NBRRDXRGHAQQFD-CYBMUJFWSA-N 1 0 273.384 2.140 40 0 CEABRO CC(C)[N@@H+]1CCC[C@@H](c2cncc(-c3cnn(C)c3)n2)C1 ZINC000257277982 190025419 /nfs/dbraw/zinc/02/54/19/190025419.db2.gz OAGLMZYWOKFKPP-CYBMUJFWSA-N 1 0 285.395 2.465 40 0 CEABRO OCC[N@@H+]1CCC[C@@H]1c1cccc(Oc2cccnc2)n1 ZINC000257279375 190025763 /nfs/dbraw/zinc/02/57/63/190025763.db2.gz OGGWYYZPXXSFOR-OAHLLOKOSA-N 1 0 285.347 2.398 40 0 CEABRO CC(C)[N@@H+]1CC[C@H](c2n[nH]cc2-c2ccnc(N)c2)C1 ZINC000257290440 190028022 /nfs/dbraw/zinc/02/80/22/190028022.db2.gz QCYUQGNILGDDAJ-LBPRGKRZSA-N 1 0 271.368 2.252 40 0 CEABRO OCc1ccc(-c2cc(CC[C@@H]3CCC[NH2+]3)ncn2)cc1 ZINC000257313347 190031967 /nfs/dbraw/zinc/03/19/67/190031967.db2.gz USAIIJZGYHUSGK-HNNXBMFYSA-N 1 0 283.375 2.321 40 0 CEABRO Cc1nc[nH]c1C[N@@H+]1CCC[C@@H](c2ccc3c[nH]nc3n2)C1 ZINC000257317848 190032765 /nfs/dbraw/zinc/03/27/65/190032765.db2.gz VLLGSVSFJHNQKH-CYBMUJFWSA-N 1 0 296.378 2.369 40 0 CEABRO CN(C)c1cc([C@@H]2CCC[N@H+](Cc3cnn(C)c3)C2)ccn1 ZINC000257314577 190032885 /nfs/dbraw/zinc/03/28/85/190032885.db2.gz UXOOSTUIZGVYKV-MRXNPFEDSA-N 1 0 299.422 2.261 40 0 CEABRO O=C(NC[C@@]1(F)CCCC[NH2+]C1)OCc1ccccc1 ZINC000261506699 190039814 /nfs/dbraw/zinc/03/98/14/190039814.db2.gz ADWFTSJXLGLNML-OAHLLOKOSA-N 1 0 280.343 2.395 40 0 CEABRO c1ccc(-c2ccc3nnc([C@H]4CCC[NH2+]C4)n3n2)cc1 ZINC000217560413 130761631 /nfs/dbraw/zinc/76/16/31/130761631.db2.gz JJGDOGCQZIOKBX-ZDUSSCGKSA-N 1 0 279.347 2.258 40 0 CEABRO COc1ccc([C@@H](C[NH3+])N2CCC[C@@H](C)C2)cc1OC ZINC000216076875 394450621 /nfs/dbraw/zinc/45/06/21/394450621.db2.gz KMKUYNUYBQBCBN-TZMCWYRMSA-N 1 0 278.396 2.436 40 0 CEABRO C[NH+](C[C@@H]1CCCCC1=O)C[C@@H]1CCCCC1=O ZINC000001706455 394452038 /nfs/dbraw/zinc/45/20/38/394452038.db2.gz AHSWXWCMUKTJBE-STQMWFEESA-N 1 0 251.370 2.437 40 0 CEABRO [NH3+][C@H]1[C@H](S(=O)(=O)c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000242498647 394495825 /nfs/dbraw/zinc/49/58/25/394495825.db2.gz HLGWVPWZGOSSBP-RRFJBIMHSA-N 1 0 291.347 2.093 40 0 CEABRO Nc1c[nH+]cc(Br)c1NCc1ccccn1 ZINC000096311324 394679763 /nfs/dbraw/zinc/67/97/63/394679763.db2.gz WPCGJZVRXUUHTB-UHFFFAOYSA-N 1 0 279.141 2.433 40 0 CEABRO CC(C)(C)c1cnc(COC2CC3(C[NH2+]C3)C2)o1 ZINC000096509060 394692995 /nfs/dbraw/zinc/69/29/95/394692995.db2.gz JQADVYASTNMBBO-UHFFFAOYSA-N 1 0 250.342 2.241 40 0 CEABRO Fc1ccc(-c2ccc3nnc([C@H]4CCC[NH2+]4)n3n2)cc1 ZINC000096530153 394697936 /nfs/dbraw/zinc/69/79/36/394697936.db2.gz BIGHEBJOYZMDHX-CYBMUJFWSA-N 1 0 283.310 2.355 40 0 CEABRO CC(=O)N1CCC[C@@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000408604103 395302051 /nfs/dbraw/zinc/30/20/51/395302051.db2.gz DJJKNZXVUDAVQI-MRXNPFEDSA-N 1 0 258.365 2.056 40 0 CEABRO COC(=O)[C@@H]1C[N@H+](C)C[C@@H]1c1cccc(Cl)c1 ZINC000217669378 400307772 /nfs/dbraw/zinc/30/77/72/400307772.db2.gz GRUWZCAOPKGXBQ-VXGBXAGGSA-N 1 0 253.729 2.158 40 0 CEABRO CN1C[C@H](C[NH+]2CCCCC2)[C@H](O)[C@H](c2ccccc2)C1 ZINC000005699164 170130300 /nfs/dbraw/zinc/13/03/00/170130300.db2.gz WMHNFSXEDPVRNU-SQNIBIBYSA-N 1 0 288.435 2.179 40 0 CEABRO CCCCC[NH2+]C[C@@H](O)Cc1ccccc1OC ZINC000005973226 170164247 /nfs/dbraw/zinc/16/42/47/170164247.db2.gz DRWJQERZILEBJB-AWEZNQCLSA-N 1 0 251.370 2.378 40 0 CEABRO C[NH+](C)CC(C)(C)CNC(=S)N[C@H]1C[C@H]2CC[C@@H]1C2 ZINC000006330008 170191954 /nfs/dbraw/zinc/19/19/54/170191954.db2.gz QXWKTLTXGHRKLT-XQQFMLRXSA-N 1 0 283.485 2.227 40 0 CEABRO O=C(Nc1nnc(SCC[NH+]2CCCC2)s1)C1CC1 ZINC000035311287 172121992 /nfs/dbraw/zinc/12/19/92/172121992.db2.gz KEBSHRXCMVHJIM-UHFFFAOYSA-N 1 0 298.437 2.075 40 0 CEABRO NC(=O)[C@@H](c1cccc(Cl)c1)[C@H]1CCCC[NH2+]1 ZINC000039122517 174163306 /nfs/dbraw/zinc/16/33/06/174163306.db2.gz NNXZVDYCDYJWSX-NEPJUHHUSA-N 1 0 252.745 2.051 40 0 CEABRO [NH3+]CCc1noc(-c2ccc(Br)cc2)n1 ZINC000041062018 174465934 /nfs/dbraw/zinc/46/59/34/174465934.db2.gz VYYPXGBCSOLEJR-UHFFFAOYSA-N 1 0 268.114 2.000 40 0 CEABRO Brc1cccc2c1N[C@@H]1CC[NH2+]C[C@@H]21 ZINC000071484636 176189417 /nfs/dbraw/zinc/18/94/17/176189417.db2.gz LPBJHSPFSUDRSY-WCBMZHEXSA-N 1 0 253.143 2.320 40 0 CEABRO CC(C)[NH2+][C@H]1C[C@@H](Cc2cc(CCO)on2)C1(C)C ZINC000072320756 176368700 /nfs/dbraw/zinc/36/87/00/176368700.db2.gz ZCHBOEVQBGJUQB-RISCZKNCSA-N 1 0 266.385 2.165 40 0 biogenic,in-vitro CEABRO C[N@@H+]1CCC[C@@H]1CCc1cnc(Br)cn1 ZINC000072363347 176377479 /nfs/dbraw/zinc/37/74/79/176377479.db2.gz UWTUBLPALRKEQQ-SNVBAGLBSA-N 1 0 270.174 2.266 40 0 CEABRO OCc1cccc(-c2ccc(CC3CC[NH2+]CC3)nn2)c1 ZINC000072365246 176380736 /nfs/dbraw/zinc/38/07/36/176380736.db2.gz UKGALCYGSDMOPM-UHFFFAOYSA-N 1 0 283.375 2.178 40 0 CEABRO Cc1nc(-c2cncnc2C2CC[NH+](C(C)C)CC2)no1 ZINC000072367733 176382310 /nfs/dbraw/zinc/38/23/10/176382310.db2.gz JZHFNVNZVYUEIF-UHFFFAOYSA-N 1 0 287.367 2.423 40 0 CEABRO COc1cccc(OCCc2cc([C@H]3CC[NH2+]C3)[nH]n2)c1 ZINC000072374098 176385175 /nfs/dbraw/zinc/38/51/75/176385175.db2.gz QDPWFEGGXYYZRE-LBPRGKRZSA-N 1 0 287.363 2.117 40 0 CEABRO CC(C)[NH+]1CCC(c2nccnc2-n2ccnc2)CC1 ZINC000072382197 176388162 /nfs/dbraw/zinc/38/81/62/176388162.db2.gz IBLZEOAMGNYJPT-UHFFFAOYSA-N 1 0 271.368 2.250 40 0 CEABRO Cn1cc(C[N@@H+]2CCC[C@H](Cc3nccs3)C2)cn1 ZINC000072385813 176390705 /nfs/dbraw/zinc/39/07/05/176390705.db2.gz RQUKBPDBUNWAHU-GFCCVEGCSA-N 1 0 276.409 2.331 40 0 CEABRO C[N@@H+]1CCCC[C@H]1c1cncc(NCC2(C)COC2)n1 ZINC000072388947 176393983 /nfs/dbraw/zinc/39/39/83/176393983.db2.gz GLVPXGRHQKNQEA-ZDUSSCGKSA-N 1 0 276.384 2.082 40 0 CEABRO CC(C)(C)c1nc(N2CC[NH2+]CC2)cc(C(F)(F)F)n1 ZINC000026898592 273503416 /nfs/dbraw/zinc/50/34/16/273503416.db2.gz LNKWEXSUCTYYAC-UHFFFAOYSA-N 1 0 288.317 2.203 40 0 CEABRO Brc1ccc(NC2CC[NH2+]CC2)nc1 ZINC000037116592 275369713 /nfs/dbraw/zinc/36/97/13/275369713.db2.gz GSRSFGIKSJKJPF-UHFFFAOYSA-N 1 0 256.147 2.008 40 0 CEABRO [NH3+]Cc1c(Br)cncc1Br ZINC000199464727 295276736 /nfs/dbraw/zinc/27/67/36/295276736.db2.gz DXYIPLPXKPOBID-UHFFFAOYSA-N 1 0 265.936 2.065 40 0 CEABRO CCCN1c2ccc(SCC[NH3+])cc2CCC1=O ZINC000218811860 535003451 /nfs/dbraw/zinc/00/34/51/535003451.db2.gz RWBFXBGVKDAXDT-UHFFFAOYSA-N 1 0 264.394 2.427 40 0 CEABRO C[C@]12CCC[N@H+](Cc3ccccc3)[C@H]1CCC(=O)N2 ZINC000095951582 185039690 /nfs/dbraw/zinc/03/96/90/185039690.db2.gz OUVJUMLVGZIMIZ-HOCLYGCPSA-N 1 0 258.365 2.320 40 0 CEABRO CN1CCOCC12CC[NH+](Cc1cccs1)CC2 ZINC000096048899 185073243 /nfs/dbraw/zinc/07/32/43/185073243.db2.gz RNCUGQVVYJNKQG-UHFFFAOYSA-N 1 0 266.410 2.045 40 0 CEABRO CN1C(=O)CCC[C@@]12CCC[N@H+](Cc1ccccn1)C2 ZINC000096049967 185073978 /nfs/dbraw/zinc/07/39/78/185073978.db2.gz KBVZWKUZKRZQPF-INIZCTEOSA-N 1 0 273.380 2.059 40 0 CEABRO c1coc(C[N@@H+]2C[C@H]3CN(Cc4cccnc4)C[C@H]3C2)c1 ZINC000096053720 185074491 /nfs/dbraw/zinc/07/44/91/185074491.db2.gz BYTKRPZSTBUPQP-IYBDPMFKSA-N 1 0 283.375 2.238 40 0 CEABRO CCOC[C@@]12CCCO[C@H]1CC[N@H+](Cc1ccncc1)C2 ZINC000096056813 185077961 /nfs/dbraw/zinc/07/79/61/185077961.db2.gz PBORYDSXKKSBKD-IRXDYDNUSA-N 1 0 290.407 2.489 40 0 CEABRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ccccn1)CC2 ZINC000096067884 185085743 /nfs/dbraw/zinc/08/57/43/185085743.db2.gz WFCWKGBVQHYAAT-UHFFFAOYSA-N 1 0 299.422 2.181 40 0 CEABRO CO[C@H]1CC=C2CC[N@@H+]3CCC4=C(CCOC4)[C@]23C1 ZINC000025540716 343386574 /nfs/dbraw/zinc/38/65/74/343386574.db2.gz QUJGKXLFHIGUGU-HOCLYGCPSA-N 1 0 261.365 2.287 40 0 CEABRO CC(C)C[N@@H+]1CC[C@H](c2nc3c(cccc3C(N)=O)[nH]2)C1 ZINC000049171125 362343993 /nfs/dbraw/zinc/34/39/93/362343993.db2.gz YHDDSUVESRGAMC-NSHDSACASA-N 1 0 286.379 2.107 40 0 biogenic,in-vitro CEABRO Cc1ccc(Cl)c(OCC2(O)CC[NH2+]CC2)c1 ZINC000156581878 344443151 /nfs/dbraw/zinc/44/31/51/344443151.db2.gz FUZVFQMGAOYIPP-UHFFFAOYSA-N 1 0 255.745 2.142 40 0 CEABRO CN(C(=O)OC(C)(C)C)[C@@H](C(=[NH2+])NO)C1CCCC1 ZINC000409437568 344888943 /nfs/dbraw/zinc/88/89/43/344888943.db2.gz ACUQGUCVBMTTAJ-SNVBAGLBSA-N 1 0 271.361 2.368 40 0 CEABRO [NH3+]CCc1nc([C@H](c2cccs2)n2cccc2)no1 ZINC000409437994 344889776 /nfs/dbraw/zinc/88/97/76/344889776.db2.gz BMVJDWSJTXMRNR-LBPRGKRZSA-N 1 0 274.349 2.072 40 0 CEABRO COc1cccc(NC(=O)NCCC[NH+]2CCCC2)c1 ZINC000055169032 362545705 /nfs/dbraw/zinc/54/57/05/362545705.db2.gz DGJPKQJXFFRLIF-UHFFFAOYSA-N 1 0 277.368 2.303 40 0 CEABRO C[C@H]1CN(C(=O)c2ccc(Cl)cc2Cl)CC[NH2+]1 ZINC000062666706 362720624 /nfs/dbraw/zinc/72/06/24/362720624.db2.gz GHDMKBVOMMNOMM-QMMMGPOBSA-N 1 0 273.163 2.427 40 0 CEABRO c1cc(C[N@H+]2CC[C@]3(C[C@@H](OCC4CC4)CO3)C2)ccn1 ZINC000107225671 186163526 /nfs/dbraw/zinc/16/35/26/186163526.db2.gz HYDQXXYKNSXRQR-SJORKVTESA-N 1 0 288.391 2.242 40 0 CEABRO CCC(=O)N1CC[C@@]2(c3ccccc3)CC[N@H+](C)[C@H]2C1 ZINC000107260303 186164833 /nfs/dbraw/zinc/16/48/33/186164833.db2.gz BWMHZOIKSIBNDQ-DOTOQJQBSA-N 1 0 272.392 2.271 40 0 CEABRO CCO[C@@H](C(=O)NC1CC[NH+](C2CCC2)CC1)C(C)C ZINC000627668938 350904523 /nfs/dbraw/zinc/90/45/23/350904523.db2.gz NCMBYZOPYFQLKA-OAHLLOKOSA-N 1 0 282.428 2.181 40 0 CEABRO Cc1ccccc1OC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](C)C1 ZINC000073048704 363194269 /nfs/dbraw/zinc/19/42/69/363194269.db2.gz QZJQGRTYWPIMOH-LSDHHAIUSA-N 1 0 290.407 2.220 40 0 CEABRO CNc1cc(C)[nH+]c(N2CCN(c3ccccc3)CC2)n1 ZINC000074934137 363423738 /nfs/dbraw/zinc/42/37/38/363423738.db2.gz FFLPCWWFTGBEEN-UHFFFAOYSA-N 1 0 283.379 2.153 40 0 CEABRO CCS(=O)(=O)[C@@H](C)[C@@H]([NH3+])c1ccc(Cl)cc1 ZINC000075418397 363463137 /nfs/dbraw/zinc/46/31/37/363463137.db2.gz YRFZHFIMDNRDHX-GZMMTYOYSA-N 1 0 261.774 2.163 40 0 CEABRO Fc1cccc(-c2noc(C3CC[NH2+]CC3)n2)c1F ZINC000075904267 363497358 /nfs/dbraw/zinc/49/73/58/363497358.db2.gz BYFNAPRIHNAOCR-UHFFFAOYSA-N 1 0 265.263 2.482 40 0 CEABRO CC(C)[N@H+](CCO)C[C@@H]1CCCN1Cc1ccccc1 ZINC000079395085 363595612 /nfs/dbraw/zinc/59/56/12/363595612.db2.gz JZTICFJSVCLETF-KRWDZBQOSA-N 1 0 276.424 2.354 40 0 CEABRO CCOc1cc(OC[C@@H]2CCCC[NH2+]2)nc(SC)n1 ZINC000079439908 363601665 /nfs/dbraw/zinc/60/16/65/363601665.db2.gz WFDVCDMZQQPEFW-JTQLQIEISA-N 1 0 283.397 2.118 40 0 CEABRO [NH3+]C1CCN(c2nc3ccccc3nc2Cl)CC1 ZINC000040434371 283415942 /nfs/dbraw/zinc/41/59/42/283415942.db2.gz WRJHMIYEKXUHRV-UHFFFAOYSA-N 1 0 262.744 2.211 40 0 CEABRO CC(C)Oc1cccc(CNC(=O)C2CC[NH+](C)CC2)c1 ZINC000081265714 363708787 /nfs/dbraw/zinc/70/87/87/363708787.db2.gz NGEWIFXIZHSQGF-UHFFFAOYSA-N 1 0 290.407 2.432 40 0 CEABRO O[C@H](COc1ccccc1Cl)C[NH+]1CCCC1 ZINC000001575355 361209210 /nfs/dbraw/zinc/20/92/10/361209210.db2.gz YQRCLZCHNCXIGR-NSHDSACASA-N 1 0 255.745 2.176 40 0 CEABRO C[n+]1cc(I)cc2ccccc21 ZINC000001615100 361212135 /nfs/dbraw/zinc/21/21/35/361212135.db2.gz AFZMAKOLLWYFQS-UHFFFAOYSA-N 1 0 270.093 2.269 40 0 CEABRO Cc1ccc(N)cc1NC(=O)C[NH+]1CCC(C)CC1 ZINC000004212720 361305176 /nfs/dbraw/zinc/30/51/76/361305176.db2.gz VESGUVIGQFGXKZ-UHFFFAOYSA-N 1 0 261.369 2.248 40 0 CEABRO CCOC(=O)[C@@](C)([NH3+])[C@H]1CCc2cc(OC)ccc2C1 ZINC000082048703 363750534 /nfs/dbraw/zinc/75/05/34/363750534.db2.gz RQIMIRAUSRNRCE-BBRMVZONSA-N 1 0 277.364 2.081 40 0 CEABRO C[N@@H+]1CCC[C@@H](C(=O)NCc2ccccc2Cl)C1 ZINC000082307039 363762327 /nfs/dbraw/zinc/76/23/27/363762327.db2.gz AMYPANUACMCPMU-GFCCVEGCSA-N 1 0 266.772 2.298 40 0 CEABRO C[N@@H+]1CCC[C@H](C(=O)NCc2ccccc2Cl)C1 ZINC000082307036 363763026 /nfs/dbraw/zinc/76/30/26/363763026.db2.gz AMYPANUACMCPMU-LBPRGKRZSA-N 1 0 266.772 2.298 40 0 CEABRO O=C(N[C@H]1C[NH+]2CCC1CC2)c1ncoc1-c1ccccc1 ZINC000012338295 361376985 /nfs/dbraw/zinc/37/69/85/361376985.db2.gz HZZNYUAKIAJCBR-AWEZNQCLSA-N 1 0 297.358 2.166 40 0 CEABRO CC(C)n1cc2c(n1)nc(N1CC[NH2+]CC1)cc2C(F)F ZINC000012398893 361382414 /nfs/dbraw/zinc/38/24/14/361382414.db2.gz RFWQUZMVPGNCDR-UHFFFAOYSA-N 1 0 295.337 2.359 40 0 CEABRO CCCn1cc2c(n1)nc(N1CCC([NH3+])CC1)cc2C ZINC000012398930 361382426 /nfs/dbraw/zinc/38/24/26/361382426.db2.gz SCRCUCIEZWBHIR-UHFFFAOYSA-N 1 0 273.384 2.077 40 0 CEABRO COc1ccc(C[N@@H+]2CC[C@H](c3cc(=O)[nH]c(C)n3)C2)cc1 ZINC000019285245 361525323 /nfs/dbraw/zinc/52/53/23/361525323.db2.gz WBMJTKMHUYYTFG-AWEZNQCLSA-N 1 0 299.374 2.076 40 0 CEABRO CCC(=O)c1ccc(OC[C@H](O)C[NH2+][C@@H](C)CC)cc1 ZINC000016739474 361496707 /nfs/dbraw/zinc/49/67/07/361496707.db2.gz PQRYMHNEEMGICM-GXTWGEPZSA-N 1 0 279.380 2.407 40 0 CEABRO COC(=O)c1ccc(CN2C[C@@H]3CCC[N@@H+]3C[C@H]2C)cc1 ZINC000019575104 361543686 /nfs/dbraw/zinc/54/36/86/361543686.db2.gz XIPUQLOHVWTLQE-CJNGLKHVSA-N 1 0 288.391 2.142 40 0 CEABRO COc1ccc(C(=O)Nc2ccc(C[NH3+])cc2)c(OC)c1 ZINC000019397142 361531231 /nfs/dbraw/zinc/53/12/31/361531231.db2.gz MFHNBFTVIUGJDO-UHFFFAOYSA-N 1 0 286.331 2.415 40 0 CEABRO O=C(C[NH2+]C1CC1)Nc1ccc(Br)cc1 ZINC000019398179 361531369 /nfs/dbraw/zinc/53/13/69/361531369.db2.gz QIIURLXPUBGWBU-UHFFFAOYSA-N 1 0 269.142 2.140 40 0 CEABRO O=C1N(Cc2ccccc2Cl)CC[C@]12CCC[NH2+]C2 ZINC000023509178 361600125 /nfs/dbraw/zinc/60/01/25/361600125.db2.gz HMUIMSMUQYRIHM-HNNXBMFYSA-N 1 0 278.783 2.442 40 0 CEABRO C[C@@H](CC[NH2+][C@H]1CCc2ccccc2C1)[S@](C)=O ZINC000090515756 364060868 /nfs/dbraw/zinc/06/08/68/364060868.db2.gz MQLKZGCOEYPJGT-XLWVJDPXSA-N 1 0 265.422 2.291 40 0 CEABRO CCC[N@@H+]1CC[C@@]2(C[C@@H]2C(=O)N(C)Cc2ccccn2)C1 ZINC000096159203 364402707 /nfs/dbraw/zinc/40/27/07/364402707.db2.gz LKCKXOLVHVLMBV-NVXWUHKLSA-N 1 0 287.407 2.162 40 0 CEABRO O[C@H]1CC[N@H+](Cc2ccc(F)cc2)[C@H]1Cc1cccnc1 ZINC000096200434 364410881 /nfs/dbraw/zinc/41/08/81/364410881.db2.gz YAEWDXCHBMSKBU-IRXDYDNUSA-N 1 0 286.350 2.399 40 0 CEABRO Cc1nc(N2CCCC2)nc2c1C[N@H+](C(C)C)CC2 ZINC000096253838 364415992 /nfs/dbraw/zinc/41/59/92/364415992.db2.gz ODOFMQJHHZCKBW-UHFFFAOYSA-N 1 0 260.385 2.152 40 0 CEABRO Nc1ccc(C(=O)N[C@@H]2c3ccccc3[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC000096268324 364420201 /nfs/dbraw/zinc/42/02/01/364420201.db2.gz MQNRYPNYRZLRSA-YESZJQIVSA-N 1 0 293.370 2.057 40 0 CEABRO C[C@@H]([NH2+][C@@H](C)c1nnnn1C)C(C)(C)c1ccccc1 ZINC000189842248 296152785 /nfs/dbraw/zinc/15/27/85/296152785.db2.gz VKWXDLPYGGFQTL-NWDGAFQWSA-N 1 0 273.384 2.227 40 0 CEABRO C[C@@]1([NH3+])CN(Cc2ccccc2)C[C@@H]1C(F)(F)F ZINC000199548454 370149286 /nfs/dbraw/zinc/14/92/86/370149286.db2.gz GLKCPTSZDCRGOB-NWDGAFQWSA-N 1 0 258.287 2.398 40 0 CEABRO COc1cccc2c(=O)c(C[NH2+]C(C)C)c(C)[nH]c12 ZINC000217441681 370195581 /nfs/dbraw/zinc/19/55/81/370195581.db2.gz ITAOZFZJULBVPW-UHFFFAOYSA-N 1 0 260.337 2.343 40 0 CEABRO c1csc(CN2CC[N@@H+]3C[C@H](OCC4CC4)C[C@H]3C2)c1 ZINC000253588672 371530357 /nfs/dbraw/zinc/53/03/57/371530357.db2.gz NRAXYOAGABLPCC-LSDHHAIUSA-N 1 0 292.448 2.433 40 0 CEABRO FC(F)(F)c1ccc(CN2C[C@H]3C[C@@H]2C[NH2+]3)cc1 ZINC000019796112 294683366 /nfs/dbraw/zinc/68/33/66/294683366.db2.gz CVZLBDBZMGLFJH-VXGBXAGGSA-N 1 0 256.271 2.252 40 0 CEABRO CN(C(=O)CC1CC1)[C@@H]1CCCN(c2ccccn2)C1 ZINC000257211332 371610037 /nfs/dbraw/zinc/61/00/37/371610037.db2.gz BYMRPKMZQXCREW-CQSZACIVSA-N 1 0 273.380 2.309 40 0 CEABRO Cc1cc([C@@H]2CCCCN2Cc2cc[nH]n2)nc2ccnn21 ZINC000257287790 371611035 /nfs/dbraw/zinc/61/10/35/371611035.db2.gz PRNPLJDQOKZXQA-HNNXBMFYSA-N 1 0 296.378 2.488 40 0 CEABRO O=C(c1ccc(OC[C@@H]2CCC[NH2+]C2)cc1)N1CCCC1 ZINC000044029914 296224312 /nfs/dbraw/zinc/22/43/12/296224312.db2.gz JEPNBKUIAXDZOR-CQSZACIVSA-N 1 0 288.391 2.301 40 0 CEABRO CCCn1cc(C[NH2+]Cc2ccnn2CC)c(C)n1 ZINC000256050105 190003226 /nfs/dbraw/zinc/00/32/26/190003226.db2.gz CRODWZRTIAQBNG-UHFFFAOYSA-N 1 0 261.373 2.108 40 0 CEABRO C[C@@]12C[C@H]3C[NH2+][C@@H]1CCCC[C@@H]2N3C(=O)c1ccccn1 ZINC000257209241 190012023 /nfs/dbraw/zinc/01/20/23/190012023.db2.gz BPOKKSBRXDMXKI-PWXKEOIMSA-N 1 0 285.391 2.217 40 0 CEABRO CCCn1cc(C[N@@H+]2CCC[C@@H](Cc3cc[nH]n3)C2)cn1 ZINC000257208581 190012549 /nfs/dbraw/zinc/01/25/49/190012549.db2.gz BMTJMYIZPJRJCU-AWEZNQCLSA-N 1 0 287.411 2.471 40 0 CEABRO CCN1CCC([N@@H+]2CCC[C@@H](c3n[nH]cc3C)C2)CC1 ZINC000257214803 190012887 /nfs/dbraw/zinc/01/28/87/190012887.db2.gz CNMAHDHURPIVAA-CQSZACIVSA-N 1 0 276.428 2.382 40 0 CEABRO Fc1ccc(OCC[N@@H+]2CC[C@H](c3cc[nH]n3)C2)cc1 ZINC000257215229 190013405 /nfs/dbraw/zinc/01/34/05/190013405.db2.gz CPFBIBJORCNXFG-LBPRGKRZSA-N 1 0 275.327 2.417 40 0 CEABRO C[C@H]1COC(=O)N1c1cccc(C2CC[NH+](C)CC2)n1 ZINC000257216023 190013655 /nfs/dbraw/zinc/01/36/55/190013655.db2.gz CSSUHZCLZUYVAD-NSHDSACASA-N 1 0 275.352 2.236 40 0 CEABRO CCn1nccc1-c1cc(C)nc([C@@H]2CCC[N@H+](C)C2)n1 ZINC000257235786 190016691 /nfs/dbraw/zinc/01/66/91/190016691.db2.gz GZLNZXIDNNTHNX-CYBMUJFWSA-N 1 0 285.395 2.478 40 0 CEABRO CCn1nccc1-c1cc([C@H]2CCC[N@@H+]2C)nc(C)n1 ZINC000257223444 190014577 /nfs/dbraw/zinc/01/45/77/190014577.db2.gz DXJFVLHENFHJTA-CQSZACIVSA-N 1 0 271.368 2.435 40 0 CEABRO CCCc1cc(C(=O)N2CCCC[C@H]3C[NH2+]CC[C@H]32)no1 ZINC000257240941 190018437 /nfs/dbraw/zinc/01/84/37/190018437.db2.gz HVUNBKZNRDRPOH-SWLSCSKDSA-N 1 0 291.395 2.231 40 0 CEABRO CCn1nccc1-c1cncc([C@H]2CCC[N@@H+]2C)n1 ZINC000257243294 190018715 /nfs/dbraw/zinc/01/87/15/190018715.db2.gz IGGJMFCIBRWUQO-CYBMUJFWSA-N 1 0 257.341 2.127 40 0 CEABRO Cc1nn(C)c(C)c1-c1cnc([C@@H]2CCC[N@H+](C)C2)cn1 ZINC000257247901 190018967 /nfs/dbraw/zinc/01/89/67/190018967.db2.gz JBBYOXWLKRNODH-CYBMUJFWSA-N 1 0 285.395 2.303 40 0 CEABRO C[C@]1(O)C[N@H+](Cc2cccnc2)CC[C@@H]1Oc1ccccc1 ZINC000257250528 190019913 /nfs/dbraw/zinc/01/99/13/190019913.db2.gz JMXFBVLTYBJYPN-ROUUACIJSA-N 1 0 298.386 2.486 40 0 CEABRO CCn1nccc1-c1cncc(CC2CC[NH+](C)CC2)n1 ZINC000257262468 190022562 /nfs/dbraw/zinc/02/25/62/190022562.db2.gz LLMMVBAGKIEHTC-UHFFFAOYSA-N 1 0 285.395 2.244 40 0 CEABRO Cn1ccc(C[N@@H+]2CCC[C@@H](Cc3cccnc3)C2)n1 ZINC000257280312 190025466 /nfs/dbraw/zinc/02/54/66/190025466.db2.gz OKJDUTDNZLDIBI-HNNXBMFYSA-N 1 0 270.380 2.270 40 0 CEABRO CC(=O)NCc1cccc([C@@H]2CCC[N@@H+]2CC2CC2)n1 ZINC000257284587 190025931 /nfs/dbraw/zinc/02/59/31/190025931.db2.gz PDGSDDXHJSPLNV-INIZCTEOSA-N 1 0 273.380 2.265 40 0 CEABRO Cc1ccccc1C[N@@H+]1CC[C@@]2(CCCO2)[C@@H](O)C1 ZINC000257307675 190031492 /nfs/dbraw/zinc/03/14/92/190031492.db2.gz SZTWLWZWDWTSMS-HOTGVXAUSA-N 1 0 261.365 2.111 40 0 CEABRO Cc1nc(-c2cc[nH]n2)cc([C@H]2CC[N@@H+](C(C)C)C2)n1 ZINC000257309459 190030883 /nfs/dbraw/zinc/03/08/83/190030883.db2.gz UBAMZKGEBDLEGA-LBPRGKRZSA-N 1 0 271.368 2.373 40 0 CEABRO COc1ccc([C@@H]2C[NH2+]CCN2Cc2cccnc2)cc1 ZINC000257311094 190032047 /nfs/dbraw/zinc/03/20/47/190032047.db2.gz UHXRRWOUOGKQGS-KRWDZBQOSA-N 1 0 283.375 2.237 40 0 CEABRO COc1ccccc1C[N@@H+]1CC[C@@]2(CCCO2)[C@@H](OC)C1 ZINC000257333836 190035598 /nfs/dbraw/zinc/03/55/98/190035598.db2.gz YDGXOVSXTUCOMP-IRXDYDNUSA-N 1 0 291.391 2.465 40 0 CEABRO Cc1cccnc1C(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3[N@H+](C)C2 ZINC000257330931 190035745 /nfs/dbraw/zinc/03/57/45/190035745.db2.gz XQQLDWRDFSEIMW-JTOWHCCKSA-N 1 0 299.418 2.477 40 0 CEABRO O=S(=O)(C[C@@H]1CCC[NH2+]C1)c1ccc(Cl)cc1 ZINC000011967540 285037409 /nfs/dbraw/zinc/03/74/09/285037409.db2.gz PONMQUNTJPMFJA-SNVBAGLBSA-N 1 0 273.785 2.113 40 0 CEABRO OCC[C@H]1C[NH2+]Cc2cccc(Br)c21 ZINC000095868225 285267030 /nfs/dbraw/zinc/26/70/30/285267030.db2.gz HMQHPXCWBYYQCA-VIFPVBQESA-N 1 0 256.143 2.018 40 0 CEABRO Cc1cccc(C[N@@H+]2CCc3ncnc(C)c3CC2)n1 ZINC000096254961 256835430 /nfs/dbraw/zinc/83/54/30/256835430.db2.gz BGWDFMASZAXVDR-UHFFFAOYSA-N 1 0 268.364 2.089 40 0 CEABRO CC(=O)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC000006733567 394460349 /nfs/dbraw/zinc/46/03/49/394460349.db2.gz BJNVRMJGVUDEPS-YLFCFFPRSA-N 1 0 274.408 2.428 40 0 CEABRO CCCC[NH2+]CCC1(CCCC)C(=O)NC(=O)NC1=O ZINC000031659347 394487114 /nfs/dbraw/zinc/48/71/14/394487114.db2.gz OEGQJDBSZFNOTO-UHFFFAOYSA-N 1 0 283.372 2.149 40 0 CEABRO C[N@@H+]1CCCC[C@@H]1c1cccnc1N1CCOCC1 ZINC000072216236 394592750 /nfs/dbraw/zinc/59/27/50/394592750.db2.gz SFHHAQJPVLWVON-CQSZACIVSA-N 1 0 261.369 2.075 40 0 CEABRO CCC[N@@H+]1CCC[C@@H]1c1ccc(N2CCOCC2)nc1 ZINC000072216163 394593334 /nfs/dbraw/zinc/59/33/34/394593334.db2.gz BIRQEUBSBLGFBK-OAHLLOKOSA-N 1 0 275.396 2.465 40 0 CEABRO CC[N@@H+]1CCC[C@@H]1c1ccc(N2CCOCC2)nc1C ZINC000072219616 394594497 /nfs/dbraw/zinc/59/44/97/394594497.db2.gz UCVIXKWXANQIQC-OAHLLOKOSA-N 1 0 275.396 2.383 40 0 CEABRO C[NH+](C)CC[C@H]1CN(Cc2ccccc2)Cc2ccnn21 ZINC000248132675 394537012 /nfs/dbraw/zinc/53/70/12/394537012.db2.gz QTOJHDPXPVGGJE-KRWDZBQOSA-N 1 0 284.407 2.392 40 0 CEABRO CCc1ncnc2c1CC[N@H+](Cc1ccoc1)CC2 ZINC000096058604 394675858 /nfs/dbraw/zinc/67/58/58/394675858.db2.gz WMOLOYAOACVLIZ-UHFFFAOYSA-N 1 0 257.337 2.233 40 0 CEABRO CC(C)C[NH+]1CCC2(C[C@@H](Nc3ncccn3)CO2)CC1 ZINC000096074257 394676082 /nfs/dbraw/zinc/67/60/82/394676082.db2.gz NIWAHFDGQXWTEH-CQSZACIVSA-N 1 0 290.411 2.168 40 0 CEABRO C[C@](F)(C[NH3+])c1ccc(I)cc1 ZINC000201652476 400298745 /nfs/dbraw/zinc/29/87/45/400298745.db2.gz XDIKWYATCBJREJ-VIFPVBQESA-N 1 0 279.096 2.435 40 0 CEABRO COC(=O)[C@H](c1ccccc1)[C@@]1(O)C[C@H](C)[N@H+](C)C[C@H]1C ZINC000004474246 169970432 /nfs/dbraw/zinc/97/04/32/169970432.db2.gz XGFOAXWEGYBKCA-RPCCPQHDSA-N 1 0 291.391 2.034 40 0 CEABRO CC1(C)[C@H]2C[C@@H]1C(COC[C@H](O)C[NH2+]C1CC1)=CC2 ZINC000006605136 170218389 /nfs/dbraw/zinc/21/83/89/170218389.db2.gz ZRWVUMQBQUVBRH-BPLDGKMQSA-N 1 0 265.397 2.108 40 0 CEABRO C[NH+](C)CCCNC(=S)Nc1ccc(F)cc1F ZINC000007056001 170265094 /nfs/dbraw/zinc/26/50/94/170265094.db2.gz YIEUTRZDJGXDBC-UHFFFAOYSA-N 1 0 273.352 2.203 40 0 CEABRO C[C@H](Sc1ccc(Cl)cc1)C(=O)NCC[NH+](C)C ZINC000010111496 170397716 /nfs/dbraw/zinc/39/77/16/170397716.db2.gz ARHWIZNXDCLEKH-JTQLQIEISA-N 1 0 286.828 2.498 40 0 CEABRO CCOc1ccc([C@@H](C[NH3+])N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000022166632 171366380 /nfs/dbraw/zinc/36/63/80/171366380.db2.gz KZMZFCSIRMTEJX-DVOMOZLQSA-N 1 0 278.396 2.194 40 0 CEABRO C[C@@H]1CN([C@@H](C[NH3+])c2cc(F)ccc2F)C[C@@H](C)O1 ZINC000037233461 173052074 /nfs/dbraw/zinc/05/20/74/173052074.db2.gz AOEFDDJIKRFNLE-RULNRJAQSA-N 1 0 270.323 2.074 40 0 CEABRO CCc1nccn1-c1cncc([C@H]2CCC[N@H+](C)C2)n1 ZINC000072355466 176375001 /nfs/dbraw/zinc/37/50/01/176375001.db2.gz OJSXZGGKDZJOIR-LBPRGKRZSA-N 1 0 271.368 2.034 40 0 CEABRO CNc1nccnc1C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000072367457 176381724 /nfs/dbraw/zinc/38/17/24/176381724.db2.gz ZCUNGYXJYBIAJV-ZIAGYGMSSA-N 1 0 290.411 2.001 40 0 CEABRO C[N@@H+]1CCCC[C@@H]1c1ccnc(Nc2cnccn2)n1 ZINC000072377386 176385805 /nfs/dbraw/zinc/38/58/05/176385805.db2.gz IJASLZUKUFLSCO-GFCCVEGCSA-N 1 0 270.340 2.167 40 0 CEABRO CNc1ccc(C[C@@H]2CCC[N@H+](Cc3cccnc3)C2)nn1 ZINC000072387311 176392495 /nfs/dbraw/zinc/39/24/95/176392495.db2.gz UKEPVTDTKSSVIU-AWEZNQCLSA-N 1 0 297.406 2.368 40 0 CEABRO C[NH+]1CCC(c2ccc(N[C@H]3CCCOC3)cn2)CC1 ZINC000072386911 176392702 /nfs/dbraw/zinc/39/27/02/176392702.db2.gz KIRRDGXEFCOMCW-HNNXBMFYSA-N 1 0 275.396 2.482 40 0 CEABRO COC[C@@H](O)C[N@@H+]1C[C@@H](c2ccc(F)cc2)C[C@H]1C ZINC000077177249 177230857 /nfs/dbraw/zinc/23/08/57/177230857.db2.gz ABCPPHYURVKKRG-ZLDLUXBVSA-N 1 0 267.344 2.011 40 0 CEABRO CC(C)N1CC2(CC[NH2+]CC2)Cc2ccccc2C1=O ZINC000096062833 273529004 /nfs/dbraw/zinc/52/90/04/273529004.db2.gz BPHRYRCZCKYHHF-UHFFFAOYSA-N 1 0 272.392 2.463 40 0 CEABRO C[N@@H+]1CCC[C@H](C(=O)N2CCCc3ccccc32)C1 ZINC000078578577 277073158 /nfs/dbraw/zinc/07/31/58/277073158.db2.gz UWAWCIPZQWWYAG-AWEZNQCLSA-N 1 0 258.365 2.308 40 0 CEABRO Cc1ccc(S(=O)(=O)C2CCC([NH3+])CC2)cc1 ZINC000055143886 278838310 /nfs/dbraw/zinc/83/83/10/278838310.db2.gz SFSBTZXQMVKPOW-UHFFFAOYSA-N 1 0 253.367 2.039 40 0 CEABRO O=c1oc2ccccc2c2c1C[C@]1(CCC[NH2+]CC1)O2 ZINC000257229537 280397064 /nfs/dbraw/zinc/39/70/64/280397064.db2.gz FYLRUDIBCPXZEH-MRXNPFEDSA-N 1 0 271.316 2.240 40 0 CEABRO CC(C)(C)OC(=O)N[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000095876172 327203306 /nfs/dbraw/zinc/20/33/06/327203306.db2.gz ZRGNCGMVKKCVGY-SMDDNHRTSA-N 1 0 254.374 2.433 40 0 CEABRO CCNc1ncc(C[NH2+]CCc2ccccc2OC)cn1 ZINC000062717565 333175815 /nfs/dbraw/zinc/17/58/15/333175815.db2.gz FHIFNMXVBHKZGJ-UHFFFAOYSA-N 1 0 286.379 2.249 40 0 CEABRO CC[N@@H+]1CCC[C@@H]1CNc1cc(Cl)nc(C)n1 ZINC000052835978 521640991 /nfs/dbraw/zinc/64/09/91/521640991.db2.gz OLQNRDUNSFETGB-SNVBAGLBSA-N 1 0 254.765 2.335 40 0 CEABRO COc1ccc2ccccc2c1[C@@H]1C[C@]1(C[NH3+])CO ZINC000062713366 525652516 /nfs/dbraw/zinc/65/25/16/525652516.db2.gz BRZRBCPNZPAFJJ-BBRMVZONSA-N 1 0 257.333 2.273 40 0 CEABRO C[NH2+]CCCc1cnn(CCOCc2ccccc2)c1 ZINC000585143069 623860327 /nfs/dbraw/zinc/86/03/27/623860327.db2.gz QWYPZQWFFIFRJP-UHFFFAOYSA-N 1 0 273.380 2.252 40 0 CEABRO O=C1N(Cc2ccncc2)CC[C@]12CCC[N@H+](CC1CC1)C2 ZINC000096048690 185072502 /nfs/dbraw/zinc/07/25/02/185072502.db2.gz HEFLPLCKYLQLHZ-SFHVURJKSA-N 1 0 299.418 2.306 40 0 CEABRO O=C1[C@H]2C[N@H+](Cc3ccoc3)C[C@H]2CN1c1ccsc1 ZINC000096053680 185074390 /nfs/dbraw/zinc/07/43/90/185074390.db2.gz HTCMTAUQLQUVPH-JSGCOSHPSA-N 1 0 288.372 2.436 40 0 CEABRO Cc1noc([C@H]2CC[C@@H]3[C@@H](CC[N@@H+]3CC3CC3)O2)n1 ZINC000096057523 185077090 /nfs/dbraw/zinc/07/70/90/185077090.db2.gz RUNVERXBNOPNKQ-JHJVBQTASA-N 1 0 263.341 2.082 40 0 CEABRO Cc1noc([C@@H]2CC[C@@H]3[C@@H](CC[N@@H+]3CC3CC3)O2)n1 ZINC000096057360 185077300 /nfs/dbraw/zinc/07/73/00/185077300.db2.gz RUNVERXBNOPNKQ-UPJWGTAASA-N 1 0 263.341 2.082 40 0 CEABRO C[C@H]1C[C@H](C)C[NH+](C[C@H](O)COC2CCCC2)C1 ZINC000035074996 361808240 /nfs/dbraw/zinc/80/82/40/361808240.db2.gz FAPDOBHSQUGADM-IHRRRGAJSA-N 1 0 255.402 2.284 40 0 CEABRO COC[C@H]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2ccco2)O1 ZINC000096056375 185078006 /nfs/dbraw/zinc/07/80/06/185078006.db2.gz RNIZNQJNFAKUAI-MGPQQGTHSA-N 1 0 251.326 2.048 40 0 CEABRO c1cncc(CO[C@@H]2C[N@H+](CC3CC3)[C@H]3CCCO[C@H]23)c1 ZINC000096058113 185078560 /nfs/dbraw/zinc/07/85/60/185078560.db2.gz RCVPHZJETGYFFF-BBWFWOEESA-N 1 0 288.391 2.240 40 0 CEABRO c1cncc(CO[C@@H]2CC[C@H]3[C@H]2OCC[N@@H+]3CC2CC2)c1 ZINC000096057993 185078654 /nfs/dbraw/zinc/07/86/54/185078654.db2.gz LOOQGPKFTYJUDD-GVDBMIGSSA-N 1 0 288.391 2.240 40 0 CEABRO CCO[C@H]1COC2(C1)CC[NH+](Cc1ccco1)CC2 ZINC000096106566 185098541 /nfs/dbraw/zinc/09/85/41/185098541.db2.gz ZIUBHNWKFMIABH-CQSZACIVSA-N 1 0 265.353 2.440 40 0 CEABRO COC[C@@]12CCO[C@@H]1CC[N@H+](Cc1ccccc1F)C2 ZINC000096110329 185101289 /nfs/dbraw/zinc/10/12/89/185101289.db2.gz NHAGCVKGIQROMW-CVEARBPZSA-N 1 0 279.355 2.453 40 0 CEABRO Clc1nc2ccccc2nc1N[C@H]1CCC[NH2+]C1 ZINC000040434724 361993239 /nfs/dbraw/zinc/99/32/39/361993239.db2.gz OSMHUPUKLRUFCK-VIFPVBQESA-N 1 0 262.744 2.447 40 0 CEABRO CCc1cc(N2Cc3ccccc3C[C@@H]2C)nc(NC)[nH+]1 ZINC000329003860 136377201 /nfs/dbraw/zinc/37/72/01/136377201.db2.gz KOPHRTDSOQWIQD-LBPRGKRZSA-N 1 0 282.391 2.454 40 0 CEABRO COc1ccccc1C[N@@H+]1CC[C@H](c2nnc(C)o2)C1 ZINC000049169215 362343374 /nfs/dbraw/zinc/34/33/74/362343374.db2.gz JKFFBJOKGRLYDF-ZDUSSCGKSA-N 1 0 273.336 2.376 40 0 biogenic,in-vitro CEABRO CC(C)C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000108005115 344262709 /nfs/dbraw/zinc/26/27/09/344262709.db2.gz DDCSVYIRVVTYQH-UHFFFAOYSA-N 1 0 261.369 2.033 40 0 CEABRO CCOC(=O)[C@@H](CN)[C@@]1([NH+](C)C)C[C@@H]2CC[C@@]1(C)C2(C)C ZINC000216351502 344534901 /nfs/dbraw/zinc/53/49/01/344534901.db2.gz QGGWEHAGQMESEH-RMHZUWNSSA-N 1 0 296.455 2.271 40 0 CEABRO C[NH2+]CCc1cn(CCF)nc1-c1cccs1 ZINC000409437096 344888913 /nfs/dbraw/zinc/88/89/13/344888913.db2.gz DLUXAVZYYCKQCE-UHFFFAOYSA-N 1 0 253.346 2.343 40 0 CEABRO O[C@H]1[C@H](Oc2cccc(F)c2)CCC[C@@H]1[NH2+]C1CC1 ZINC000585290650 345010513 /nfs/dbraw/zinc/01/05/13/345010513.db2.gz ZLKJKBHBRQUSJD-RRFJBIMHSA-N 1 0 265.328 2.239 40 0 CEABRO Cc1ccc(CNC(=O)OC(C)(C)C)c(C[NH3+])c1 ZINC000090608764 180012119 /nfs/dbraw/zinc/01/21/19/180012119.db2.gz INZVSBLPAGWEDC-UHFFFAOYSA-N 1 0 250.342 2.478 40 0 CEABRO C[NH+](C)CCCNC(=O)c1ccc2c(c1)CCCC2 ZINC000072777209 363165402 /nfs/dbraw/zinc/16/54/02/363165402.db2.gz DRZFCHDGBSUAAT-UHFFFAOYSA-N 1 0 260.381 2.247 40 0 CEABRO CCNc1nc(NCc2ccccc2OC)cc(C2CC2)[nH+]1 ZINC000328983698 202140075 /nfs/dbraw/zinc/14/00/75/202140075.db2.gz HILFUBOVBFENCJ-UHFFFAOYSA-N 1 0 298.390 2.250 40 0 CEABRO C[C@@H]([NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1cnn(C)c1 ZINC000134788444 366360146 /nfs/dbraw/zinc/36/01/46/366360146.db2.gz IMPVPRPJPBOPHW-SAXRGWBVSA-N 1 0 261.369 2.028 40 0 CEABRO CC(C)N(CC1CCN(CC[NH3+])CC1)C(=O)OC(C)(C)C ZINC000079408568 363596631 /nfs/dbraw/zinc/59/66/31/363596631.db2.gz MUZKVDADOKVQDG-UHFFFAOYSA-N 1 0 299.459 2.303 40 0 CEABRO O=C([O-])C[N@@H+]1CC[C@H](C[NH+](Cc2ccccc2)C2CC2)C1 ZINC000079416241 363598949 /nfs/dbraw/zinc/59/89/49/363598949.db2.gz ZBXQQJHMZLWEKY-HNNXBMFYSA-N 1 0 288.391 2.058 40 0 CEABRO CC(C)[N@H+](CCO)Cc1ccc(Br)nc1 ZINC000079421508 363598646 /nfs/dbraw/zinc/59/86/46/363598646.db2.gz IBKZNHOTNHVJNQ-UHFFFAOYSA-N 1 0 273.174 2.047 40 0 CEABRO CC(C)N(Cc1ccccc1Cl)C(=O)[C@H](C)[NH3+] ZINC000079420565 363598821 /nfs/dbraw/zinc/59/88/21/363598821.db2.gz WSLNYNKTMLIDLF-JTQLQIEISA-N 1 0 254.761 2.424 40 0 CEABRO COC(=O)[C@@]12CCC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000004203344 361304899 /nfs/dbraw/zinc/30/48/99/361304899.db2.gz DFKYQTUJTMSPII-GDBMZVCRSA-N 1 0 259.349 2.462 40 0 CEABRO Cc1cc(C)c(C)c(OC[C@H](O)C[NH+]2CCCC2)c1 ZINC000004305198 361310585 /nfs/dbraw/zinc/31/05/85/361310585.db2.gz PDYOCIYKIBZJCO-OAHLLOKOSA-N 1 0 263.381 2.447 40 0 CEABRO O=C1CCCN1CCC[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000015424227 361472602 /nfs/dbraw/zinc/47/26/02/361472602.db2.gz HVFVNLORWLHVDV-UHFFFAOYSA-N 1 0 271.364 2.270 40 0 CEABRO C1=C[C@H]2C[C@@H]1C[C@@H]2C[NH+]1CCN(Cc2ccncc2)CC1 ZINC000019405270 361531408 /nfs/dbraw/zinc/53/14/08/361531408.db2.gz PRYFOBKVCOFJMK-FGTMMUONSA-N 1 0 283.419 2.411 40 0 CEABRO CC[N@@H+]1CCC[C@H]1CNCc1cc2ccccc2[nH]c1=O ZINC000023247896 361596111 /nfs/dbraw/zinc/59/61/11/361596111.db2.gz DRSRDWJTYXPTQW-HNNXBMFYSA-N 1 0 285.391 2.102 40 0 CEABRO Cn1nc(C[NH+](C)C)c(-c2ccccc2Cl)c1N ZINC000026511955 361643500 /nfs/dbraw/zinc/64/35/00/361643500.db2.gz OVOTXCPNBRANFP-UHFFFAOYSA-N 1 0 264.760 2.384 40 0 CEABRO Cc1cc(OC[C@H](O)C[NH2+]C2CC2)cc(C)c1Cl ZINC000032118007 361729851 /nfs/dbraw/zinc/72/98/51/361729851.db2.gz PQCVFRGFKFTWBO-GFCCVEGCSA-N 1 0 269.772 2.449 40 0 CEABRO O[C@@H]1CC[N@H+](Cc2cccnc2)[C@H]1Cc1ccccc1 ZINC000096200005 364408972 /nfs/dbraw/zinc/40/89/72/364408972.db2.gz SHHJJYVUXFXGRJ-DLBZAZTESA-N 1 0 268.360 2.260 40 0 CEABRO COc1ccc(C[NH+]2CCC3(CCN(C)C3=O)CC2)cc1 ZINC000096157721 364403123 /nfs/dbraw/zinc/40/31/23/364403123.db2.gz JTEVKIXTTRQJRM-UHFFFAOYSA-N 1 0 288.391 2.140 40 0 CEABRO CC[C@@H](C)[N@@H+]1CC[C@]2(CCN(Cc3ccccn3)C2=O)C1 ZINC000096159488 364403531 /nfs/dbraw/zinc/40/35/31/364403531.db2.gz CMLSGLZDEUOFTP-RHSMWYFYSA-N 1 0 287.407 2.305 40 0 CEABRO c1nnc(N2CC[C@]3(C2)CCC[N@@H+](CC2CC2)C3)s1 ZINC000096215565 364412665 /nfs/dbraw/zinc/41/26/65/364412665.db2.gz FMZJNCFJOHXMPB-CQSZACIVSA-N 1 0 278.425 2.240 40 0 CEABRO CCN1C(=O)CCC12CC[NH+](Cc1ccncc1)CC2 ZINC000096228022 364414841 /nfs/dbraw/zinc/41/48/41/364414841.db2.gz OEMGZJPNTLLCPD-UHFFFAOYSA-N 1 0 273.380 2.059 40 0 CEABRO C[N@@H+]1CC[C@]2(C1)c1ccccc1N(CC1CC1)C2=O ZINC000096244836 364416716 /nfs/dbraw/zinc/41/67/16/364416716.db2.gz FFJBFTAHQQYHIP-INIZCTEOSA-N 1 0 256.349 2.017 40 0 CEABRO C[C@H]1c2ncc(CCOCc3cccnc3)n2CC[N@H+]1C ZINC000585098499 367177633 /nfs/dbraw/zinc/17/76/33/367177633.db2.gz UFFJNVXQLWWGEF-ZDUSSCGKSA-N 1 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ZINC000010332123 343363897 /nfs/dbraw/zinc/36/38/97/343363897.db2.gz COGWXGVNSVLOJU-UHFFFAOYSA-N 1 0 290.407 2.439 40 0 CEABRO COc1ccc(C[N@@H+]2CC[C@H](c3nnc(C)o3)C2)cc1 ZINC000049169157 362342767 /nfs/dbraw/zinc/34/27/67/362342767.db2.gz VBPPIUKSGHNGDF-ZDUSSCGKSA-N 1 0 273.336 2.376 40 0 biogenic,in-vitro CEABRO CC(C)(C)OC(=O)[C@@H](N)CCCCCCCC[NH3+] ZINC000090609429 344141164 /nfs/dbraw/zinc/14/11/64/344141164.db2.gz GTJINEZMHRTYOB-LBPRGKRZSA-N 1 0 258.406 2.345 40 0 CEABRO CC(C)(C)c1cc(CN2CCCC[C@@H]2C[NH3+])[nH]n1 ZINC000096523570 344240181 /nfs/dbraw/zinc/24/01/81/344240181.db2.gz HYSSLUMJEPOROM-GFCCVEGCSA-N 1 0 250.390 2.020 40 0 CEABRO CN(Cc1ccccc1)[C@H]1CCCC[C@H]1[NH2+]CCO ZINC000101674211 344249255 /nfs/dbraw/zinc/24/92/55/344249255.db2.gz MPLCGBFEAWUJPF-CVEARBPZSA-N 1 0 262.397 2.012 40 0 CEABRO COc1ccc([C@@H](C[NH3+])N2CCC[C@H](C)C2)c(OC)c1 ZINC000108349949 344264732 /nfs/dbraw/zinc/26/47/32/344264732.db2.gz SBZBRJHTMRUIII-SWLSCSKDSA-N 1 0 278.396 2.436 40 0 CEABRO Cc1noc(C)c1C(=O)N1CCC[C@@]2(CCC[N@H+]2C)CC1 ZINC000585110396 345005994 /nfs/dbraw/zinc/00/59/94/345005994.db2.gz PDXIHOOKFIOWRW-INIZCTEOSA-N 1 0 291.395 2.382 40 0 CEABRO Cc1csc(-c2cc(C[C@H]3CCC[NH2+]C3)ncn2)n1 ZINC000585179621 345009199 /nfs/dbraw/zinc/00/91/99/345009199.db2.gz LWNVRZUSOJIRJV-LLVKDONJSA-N 1 0 274.393 2.451 40 0 CEABRO Cc1ccc(OC[C@@]2(O)CC[N@H+](Cc3ccccn3)C2)cc1 ZINC000585269292 345009478 /nfs/dbraw/zinc/00/94/78/345009478.db2.gz OJLMTJMJLQTKCX-GOSISDBHSA-N 1 0 298.386 2.406 40 0 CEABRO C[C@H]1C[NH2+]CCN1Cc1cccc(C(F)(F)F)c1 ZINC000054373087 362533444 /nfs/dbraw/zinc/53/34/44/362533444.db2.gz MZMPXCYJKCNVOJ-JTQLQIEISA-N 1 0 258.287 2.499 40 0 CEABRO CCN1CC[NH2+][C@@H](c2cccc(Br)c2)C1 ZINC000056894805 362564478 /nfs/dbraw/zinc/56/44/78/362564478.db2.gz BZUDSMCRMQDHGH-GFCCVEGCSA-N 1 0 269.186 2.415 40 0 CEABRO c1cncc(-c2ccc3nc([C@H]4CCC[NH2+]C4)nn3c2)c1 ZINC000306134881 201842278 /nfs/dbraw/zinc/84/22/78/201842278.db2.gz OALGZWHTBHXARD-ZDUSSCGKSA-N 1 0 279.347 2.258 40 0 CEABRO Cc1cc(C)nc(NCC[NH2+]Cc2ccccc2)n1 ZINC000062717842 362721289 /nfs/dbraw/zinc/72/12/89/362721289.db2.gz CZFWXHMRCHNXJI-UHFFFAOYSA-N 1 0 256.353 2.295 40 0 CEABRO [NH3+]C1(Cc2ccc(Br)cc2)CCOCC1 ZINC000063077190 362749538 /nfs/dbraw/zinc/74/95/38/362749538.db2.gz DBWQOYUVMVEBJG-UHFFFAOYSA-N 1 0 270.170 2.500 40 0 CEABRO C[NH2+][C@H]1CC[C@H](NC(=O)OCc2ccccc2)CC1 ZINC000100177522 185707176 /nfs/dbraw/zinc/70/71/76/185707176.db2.gz XDCBEZOARUDTIU-OKILXGFUSA-N 1 0 262.353 2.443 40 0 CEABRO O=C(C[C@H]1[C@H]2C[N@@H+](Cc3ccoc3)C[C@@H]12)Nc1cccnc1 ZINC000107802020 186192100 /nfs/dbraw/zinc/19/21/00/186192100.db2.gz YIGBNYXWNVYOHH-MUJYYYPQSA-N 1 0 297.358 2.381 40 0 CEABRO CC(C)C(=O)N1C[C@H]2CN(Cc3cccc(F)c3)[C@H]2C1 ZINC000107816111 186192684 /nfs/dbraw/zinc/19/26/84/186192684.db2.gz YLFZEFXBYIFKLD-HIFRSBDPSA-N 1 0 276.355 2.124 40 0 CEABRO Cc1cccc(C(=O)NCCC2CC[NH+](C)CC2)c1 ZINC000156354851 188257580 /nfs/dbraw/zinc/25/75/80/188257580.db2.gz SKOHBSWIPXTVOF-UHFFFAOYSA-N 1 0 260.381 2.457 40 0 CEABRO C[NH+]1CCC(CCNC(=O)C2CCCCC2)CC1 ZINC000156351704 188257831 /nfs/dbraw/zinc/25/78/31/188257831.db2.gz YVZJROGZUGKJJB-UHFFFAOYSA-N 1 0 252.402 2.415 40 0 CEABRO COc1ccc(C[C@@H]([NH3+])C(=O)Nc2ccccc2)cc1 ZINC000001594226 540298606 /nfs/dbraw/zinc/29/86/06/540298606.db2.gz SSYPBMLUAFBZQI-OAHLLOKOSA-N 1 0 270.332 2.204 40 0 CEABRO CCCC[NH+](CCCC)CCOc1ccnc(N)n1 ZINC000001670173 361214898 /nfs/dbraw/zinc/21/48/98/361214898.db2.gz QOKOFSWPBFMPCP-UHFFFAOYSA-N 1 0 266.389 2.340 40 0 CEABRO CCOC(=O)c1ccccc1NC(=O)C[NH+](CC)CC ZINC000001671739 361215943 /nfs/dbraw/zinc/21/59/43/361215943.db2.gz MSGGLDPNPPHTFT-UHFFFAOYSA-N 1 0 278.352 2.144 40 0 CEABRO CC[S@@](=O)CCC[N@@H+]1CCc2ccccc2C1 ZINC000004213151 361305019 /nfs/dbraw/zinc/30/50/19/361305019.db2.gz YKKQKMDOWYCXEX-KRWDZBQOSA-N 1 0 251.395 2.203 40 0 in-man CEABRO COc1ccc([C@@H]([NH3+])CNC(=O)OC(C)(C)C)cc1OC ZINC000012357115 361378740 /nfs/dbraw/zinc/37/87/40/361378740.db2.gz CBRLLEQPSYHBMS-NSHDSACASA-N 1 0 296.367 2.228 40 0 CEABRO O=C1CC[C@]2(c3ccccc3)[NH2+][C@@H]3CCCC[C@@H]3N12 ZINC000013611956 361435019 /nfs/dbraw/zinc/43/50/19/361435019.db2.gz QSDUYCSKFAKVPE-YCPHGPKFSA-N 1 0 256.349 2.376 40 0 CEABRO Cc1ccc(NC(=S)NCC[NH+](C)C)c(C)c1 ZINC000013765457 361442697 /nfs/dbraw/zinc/44/26/97/361442697.db2.gz PVUHVUKGYFPAJO-UHFFFAOYSA-N 1 0 251.399 2.151 40 0 CEABRO COc1cccc(C[N@@H+]2CC[C@@H](c3cc(=O)[nH]c(C)n3)C2)c1 ZINC000019285257 361527204 /nfs/dbraw/zinc/52/72/04/361527204.db2.gz PIZJRIXZJITVMN-CQSZACIVSA-N 1 0 299.374 2.076 40 0 CEABRO CC(C)[C@H]([NH3+])C(=O)NCc1cccc(C(F)(F)F)c1 ZINC000019479346 361537172 /nfs/dbraw/zinc/53/71/72/361537172.db2.gz ACEIVLAZNMBOKD-NSHDSACASA-N 1 0 274.286 2.305 40 0 CEABRO COc1ccccc1[C@H]([NH3+])CNC(=O)OC(C)(C)C ZINC000019796147 361555036 /nfs/dbraw/zinc/55/50/36/361555036.db2.gz WFJDFZYEBDJNDS-LLVKDONJSA-N 1 0 266.341 2.220 40 0 CEABRO O=C1N(Cc2ccc(Cl)cc2)CC[C@]12CCC[NH2+]C2 ZINC000023509131 361600211 /nfs/dbraw/zinc/60/02/11/361600211.db2.gz RUYMSFNPVJXKEX-HNNXBMFYSA-N 1 0 278.783 2.442 40 0 CEABRO CCO[C@H]1COC2(C1)CC[NH+](Cc1c(C)noc1C)CC2 ZINC000096158719 364403547 /nfs/dbraw/zinc/40/35/47/364403547.db2.gz BXJSUELUQNXEBZ-CQSZACIVSA-N 1 0 294.395 2.451 40 0 CEABRO c1ccc(CN2C[C@@H]3C[N@H+](CC4CCC4)C[C@@H]3C2)nc1 ZINC000096161613 364404461 /nfs/dbraw/zinc/40/44/61/364404461.db2.gz DVPHUMCKBYJZRD-IYBDPMFKSA-N 1 0 271.408 2.245 40 0 CEABRO Fc1cccc(C[N@H+]2C[C@H]3CN(c4ncccn4)C[C@H]3C2)c1 ZINC000096161690 364404698 /nfs/dbraw/zinc/40/46/98/364404698.db2.gz ALEBMQQYHNWJTG-GASCZTMLSA-N 1 0 298.365 2.184 40 0 CEABRO O=C1NCC[C@]12C[N@H+](Cc1ccco1)C[C@H]2c1ccccc1 ZINC000096201807 364410548 /nfs/dbraw/zinc/41/05/48/364410548.db2.gz HHGUOJUOUQAUIB-FUHWJXTLSA-N 1 0 296.370 2.385 40 0 CEABRO c1ccc(N2CC3(C2)CC[N@@H+](Cc2cccnc2)C3)nc1 ZINC000096202496 364411021 /nfs/dbraw/zinc/41/10/21/364411021.db2.gz CRDQBYDAQCSXTJ-UHFFFAOYSA-N 1 0 280.375 2.189 40 0 CEABRO Cc1cccc(C[NH+]2CCC3(C[C@@H]3C(=O)N(C)C)CC2)n1 ZINC000096227796 364414055 /nfs/dbraw/zinc/41/40/55/364414055.db2.gz VLLWNQYLGUCFOP-OAHLLOKOSA-N 1 0 287.407 2.080 40 0 CEABRO CC(C)[N@@H+]1CC[C@H]2CN(C(=O)c3ccncc3F)C[C@H]2C1 ZINC000096246085 364416019 /nfs/dbraw/zinc/41/60/19/364416019.db2.gz MCHYLLDISAIRNA-QWHCGFSZSA-N 1 0 291.370 2.023 40 0 CEABRO CC(C)CN1c2ccccc2[C@@]2(CC[N@H+](C)C2)C1=O ZINC000096244820 364416338 /nfs/dbraw/zinc/41/63/38/364416338.db2.gz AJZUFCQOSPEPBC-INIZCTEOSA-N 1 0 258.365 2.263 40 0 CEABRO CN(C)C(=O)C1=CC2(CC[NH+](C)CC2)c2ccccc21 ZINC000096241596 364416792 /nfs/dbraw/zinc/41/67/92/364416792.db2.gz NFSOVGQEBOOFPT-UHFFFAOYSA-N 1 0 270.376 2.135 40 0 CEABRO COc1ncccc1CN1C[C@@H]2C[N@H+](C(C)C)CC[C@@H]2C1 ZINC000096246083 364417264 /nfs/dbraw/zinc/41/72/64/364417264.db2.gz IHHZVKZFKKBQFJ-GDBMZVCRSA-N 1 0 289.423 2.252 40 0 CEABRO COc1ncnc2c1CC[N@H+](CC1CCCC1)CC2 ZINC000096255583 364418831 /nfs/dbraw/zinc/41/88/31/364418831.db2.gz UKFVNZNVQBNUFC-UHFFFAOYSA-N 1 0 261.369 2.076 40 0 CEABRO Cc1ccc(Br)c2c(C[C@H]([NH3+])CO)c[nH]c21 ZINC000096330677 364422156 /nfs/dbraw/zinc/42/21/56/364422156.db2.gz CNEAVKQKUTVXTH-VIFPVBQESA-N 1 0 283.169 2.101 40 0 CEABRO O=C1CC[C@@]2(CCC[N@H+](CC3CC3)CC2)N1CCF ZINC000585100203 367177718 /nfs/dbraw/zinc/17/77/18/367177718.db2.gz HMPQQWDIIUADDI-OAHLLOKOSA-N 1 0 268.376 2.213 40 0 CEABRO C[C@@H](Oc1cccc2c1CCCC2)C(=O)NCC[NH+](C)C ZINC000225563989 189757423 /nfs/dbraw/zinc/75/74/23/189757423.db2.gz BNYFBFVEJUXPIV-CYBMUJFWSA-N 1 0 290.407 2.011 40 0 CEABRO [NH3+][C@@H]1[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218569585 370211451 /nfs/dbraw/zinc/21/14/51/370211451.db2.gz QBHRHUYTHPDMPB-ZNMIVQPWSA-N 1 0 291.347 2.093 40 0 CEABRO CC[C@H](Oc1ccc(F)cc1)C(=O)NCCC[NH+](C)C ZINC000216331597 370186596 /nfs/dbraw/zinc/18/65/96/370186596.db2.gz QVSSKMKNSYPTBA-AWEZNQCLSA-N 1 0 282.359 2.051 40 0 CEABRO CNC(=O)[C@@H]1CCC[C@@]12CC[N@H+](Cc1ccsc1)C2 ZINC000247957426 371150545 /nfs/dbraw/zinc/15/05/45/371150545.db2.gz PCOOAHQOSIDBAW-ZFWWWQNUSA-N 1 0 278.421 2.486 40 0 CEABRO C[C@@]1([NH3+])CN(Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000253380215 371511343 /nfs/dbraw/zinc/51/13/43/371511343.db2.gz GLKCPTSZDCRGOB-VXGBXAGGSA-N 1 0 258.287 2.398 40 0 CEABRO CN1C(=O)CCC[C@H]2C[N@@H+](CCC(F)(F)F)CC[C@H]21 ZINC000257306404 371612974 /nfs/dbraw/zinc/61/29/74/371612974.db2.gz SUEJAJGXNHZRHN-WDEREUQCSA-N 1 0 278.318 2.272 40 0 CEABRO COc1cccc(C[NH2+]Cc2ccnn2CCF)c1 ZINC000256049657 190002496 /nfs/dbraw/zinc/00/24/96/190002496.db2.gz AUWVFXZADNPGCI-UHFFFAOYSA-N 1 0 263.316 2.151 40 0 CEABRO O=Cc1cccc(-c2c[nH]nc2[C@H]2CCC[NH2+]C2)c1 ZINC000257197850 190009847 /nfs/dbraw/zinc/00/98/47/190009847.db2.gz KWXDARGCEHODKE-ZDUSSCGKSA-N 1 0 255.321 2.356 40 0 CEABRO O=Cc1cccc(-c2c[nH]nc2[C@@H]2CCC[NH2+]C2)c1 ZINC000257197849 190010212 /nfs/dbraw/zinc/01/02/12/190010212.db2.gz KWXDARGCEHODKE-CYBMUJFWSA-N 1 0 255.321 2.356 40 0 CEABRO CCN1CCC([N@@H+]2CCC[C@H](c3n[nH]cc3C)C2)CC1 ZINC000257214802 190013244 /nfs/dbraw/zinc/01/32/44/190013244.db2.gz CNMAHDHURPIVAA-AWEZNQCLSA-N 1 0 276.428 2.382 40 0 CEABRO Cc1cnc(Nc2nccnc2[C@H]2CCC[NH2+]C2)s1 ZINC000257238503 190017968 /nfs/dbraw/zinc/01/79/68/190017968.db2.gz HLHMZDVAWNXIPX-JTQLQIEISA-N 1 0 275.381 2.452 40 0 CEABRO Cc1nn(C)c(C)c1-c1cnc([C@H]2CCC[N@H+](C)C2)cn1 ZINC000257247902 190019122 /nfs/dbraw/zinc/01/91/22/190019122.db2.gz JBBYOXWLKRNODH-ZDUSSCGKSA-N 1 0 285.395 2.303 40 0 CEABRO C[N@@H+]1CCC[C@H](c2ccnc(C(=O)NCC3CC3)c2)C1 ZINC000257245183 190019177 /nfs/dbraw/zinc/01/91/77/190019177.db2.gz IOKONQJFVQYGPM-AWEZNQCLSA-N 1 0 273.380 2.031 40 0 CEABRO CCn1cc(C[N@@H+]2CCC[C@H](c3nc(C)c[nH]3)C2)cn1 ZINC000257251164 190020163 /nfs/dbraw/zinc/02/01/63/190020163.db2.gz JPRYTVGHTSREFD-AWEZNQCLSA-N 1 0 273.384 2.314 40 0 CEABRO Cc1cncc([C@H]2CCC[N@H+](Cc3ccnc(C)n3)C2)n1 ZINC000257256824 190021960 /nfs/dbraw/zinc/02/19/60/190021960.db2.gz KNBBPCJWXXZFPY-AWEZNQCLSA-N 1 0 283.379 2.263 40 0 CEABRO CN(c1ccc(F)cc1)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC000257261762 190022595 /nfs/dbraw/zinc/02/25/95/190022595.db2.gz LISAKNAMOAEZEP-AWEZNQCLSA-N 1 0 264.344 2.173 40 0 CEABRO CN1CC[N@H+](CC2CCOCC2)C[C@@H]1c1ccccc1 ZINC000257276968 190025375 /nfs/dbraw/zinc/02/53/75/190025375.db2.gz NVXIWKSFLGNMOR-QGZVFWFLSA-N 1 0 274.408 2.402 40 0 CEABRO CC(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1c1ccccc1 ZINC000257273854 190024690 /nfs/dbraw/zinc/02/46/90/190024690.db2.gz NINARTLNWNNPGU-KRWDZBQOSA-N 1 0 288.391 2.071 40 0 CEABRO CNc1cc(C)[nH+]c([C@@H]2CCN(Cc3c[nH]cn3)C2)c1 ZINC000257274130 190025074 /nfs/dbraw/zinc/02/50/74/190025074.db2.gz NJRLTDPFJWPQDG-GFCCVEGCSA-N 1 0 271.368 2.144 40 0 CEABRO CCCn1nccc1-c1nccnc1CC1CC[NH2+]CC1 ZINC000257290120 190027728 /nfs/dbraw/zinc/02/77/28/190027728.db2.gz QBRKRYSOJNMMOZ-UHFFFAOYSA-N 1 0 285.395 2.292 40 0 CEABRO Cc1n[nH]c(C)c1-c1cncc(CC2CC[NH2+]CC2)n1 ZINC000257294645 190028567 /nfs/dbraw/zinc/02/85/67/190028567.db2.gz QVAUTTRVKRQWTG-UHFFFAOYSA-N 1 0 271.368 2.026 40 0 CEABRO CC(C)n1cc(-c2nccnc2[C@@H]2CCC[NH2+]C2)cn1 ZINC000257308700 190030856 /nfs/dbraw/zinc/03/08/56/190030856.db2.gz TXTJCVZBERNGIO-GFCCVEGCSA-N 1 0 271.368 2.388 40 0 CEABRO Cc1nc(Nc2nccs2)cc([C@@H]2CC[N@@H+](C)C2)n1 ZINC000257326440 190035102 /nfs/dbraw/zinc/03/51/02/190035102.db2.gz WXFQOWZEHGEQRD-SNVBAGLBSA-N 1 0 275.381 2.404 40 0 CEABRO CCN(C[C@H]1CCCC[N@@H+]1CCO)C(=O)OC(C)(C)C ZINC000079408014 285083246 /nfs/dbraw/zinc/08/32/46/285083246.db2.gz MDVPSSCHAXHKJZ-CYBMUJFWSA-N 1 0 286.416 2.090 40 0 CEABRO CCCC[C@@H]1CN(c2ccccc2C(=O)OC)CC[NH2+]1 ZINC000039952518 134856591 /nfs/dbraw/zinc/85/65/91/134856591.db2.gz QSFWKBIVBSPJGC-CYBMUJFWSA-N 1 0 276.380 2.442 40 0 CEABRO CN(C)C(=O)C[C@H](c1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000072208348 394592450 /nfs/dbraw/zinc/59/24/50/394592450.db2.gz RLXNSCWXNSUTFX-HUUCEWRRSA-N 1 0 260.381 2.248 40 0 CEABRO CCSc1ncc(CNCCC[NH+](CC)CC)cn1 ZINC000062718360 394571193 /nfs/dbraw/zinc/57/11/93/394571193.db2.gz VQNYROIRWRCQJN-UHFFFAOYSA-N 1 0 282.457 2.410 40 0 CEABRO CCC[N@@H+]1CCC[C@@H]1c1cccnc1N1CCOCC1 ZINC000072216223 394593745 /nfs/dbraw/zinc/59/37/45/394593745.db2.gz ZKEHSAHONRMGKA-OAHLLOKOSA-N 1 0 275.396 2.465 40 0 CEABRO Cc1cc(N2CC[NH+](C)CC2)ncc1[C@@H](O)c1ccccc1 ZINC000072223606 394594410 /nfs/dbraw/zinc/59/44/10/394594410.db2.gz CJHXDZKNSGNKQE-SFHVURJKSA-N 1 0 297.402 2.224 40 0 CEABRO CC[C@H]([NH3+])c1ccc(I)nc1 ZINC000072225936 394595504 /nfs/dbraw/zinc/59/55/04/394595504.db2.gz NVQVPVAKDGEFSR-ZETCQYMHSA-N 1 0 262.094 2.096 40 0 CEABRO CC[C@H]1[N@H+](Cc2scnc2C)CCC[C@]12CCC(=O)N2 ZINC000096045692 394675953 /nfs/dbraw/zinc/67/59/53/394675953.db2.gz FESZVCFWLDMAKC-HIFRSBDPSA-N 1 0 293.436 2.475 40 0 CEABRO c1c(C2CC2)nc(C2CC2)nc1N1CCC[NH2+]CC1 ZINC000096517014 394693999 /nfs/dbraw/zinc/69/39/99/394693999.db2.gz YWHOASNBPZPESY-UHFFFAOYSA-N 1 0 258.369 2.031 40 0 CEABRO C1=C[C@H]2C[C@@H]1C[C@@H]2C[NH+]1CCN(Cc2ccccn2)CC1 ZINC000019831745 400106049 /nfs/dbraw/zinc/10/60/49/400106049.db2.gz YTCPQGGPLXYDOA-IXDOHACOSA-N 1 0 283.419 2.411 40 0 CEABRO NC(=O)c1cc2ccccc2[n+](Cc2ccc(F)cc2)c1 ZINC000001717210 169749134 /nfs/dbraw/zinc/74/91/34/169749134.db2.gz WQAJOXUPKDJJPE-UHFFFAOYSA-O 1 0 281.310 2.414 40 0 CEABRO CSCSC[C@H](CO)[NH2+]Cc1ccccc1 ZINC000006485367 170205540 /nfs/dbraw/zinc/20/55/40/170205540.db2.gz NCYQXZFKRIWXJK-LBPRGKRZSA-N 1 0 257.424 2.191 40 0 CEABRO Cc1cc(NCC[NH3+])nc(-c2ccc(Cl)cc2)n1 ZINC000008731099 170351001 /nfs/dbraw/zinc/35/10/01/170351001.db2.gz FHHXRDNHRYDDNH-UHFFFAOYSA-N 1 0 262.744 2.476 40 0 CEABRO COc1cc(C=O)ccc1OCCC[NH+]1CCCC1 ZINC000008731479 170351028 /nfs/dbraw/zinc/35/10/28/170351028.db2.gz OHSAKLPZMMMCEA-UHFFFAOYSA-N 1 0 263.337 2.372 40 0 CEABRO CC[NH+](CC)CCOc1c(C=O)cccc1OC ZINC000009261346 170369370 /nfs/dbraw/zinc/36/93/70/170369370.db2.gz SXLPHRSKPZOZQJ-UHFFFAOYSA-N 1 0 251.326 2.228 40 0 CEABRO Brc1cccc(CN2CCC[NH2+]CC2)c1 ZINC000022171408 171368156 /nfs/dbraw/zinc/36/81/56/171368156.db2.gz PKCUWBHOZBHEKZ-UHFFFAOYSA-N 1 0 269.186 2.244 40 0 CEABRO O=C(C[NH2+]CCc1ccccc1)Nc1ccc2c(c1)OCO2 ZINC000035311494 172122126 /nfs/dbraw/zinc/12/21/26/172122126.db2.gz HRPLVCVLNSYRAM-UHFFFAOYSA-N 1 0 298.342 2.186 40 0 CEABRO COc1ccc([C@H](C[NH3+])N2CCC(C)CC2)cc1OC ZINC000038808919 174156167 /nfs/dbraw/zinc/15/61/67/174156167.db2.gz YBNQCSUGMRKFHD-AWEZNQCLSA-N 1 0 278.396 2.436 40 0 CEABRO Brc1ccc(OC[C@H]2CCC[NH2+]C2)nc1 ZINC000051883150 175526766 /nfs/dbraw/zinc/52/67/66/175526766.db2.gz DNAGNAGEKNAVEW-VIFPVBQESA-N 1 0 271.158 2.223 40 0 CEABRO O=C(Nc1ccc(Br)cc1)NC1CC[NH2+]CC1 ZINC000067800558 175792457 /nfs/dbraw/zinc/79/24/57/175792457.db2.gz JCFQMUJIQTVZIC-UHFFFAOYSA-N 1 0 298.184 2.323 40 0 CEABRO CN(C)C(=O)[C@]1(CCCc2ccccn2)CCCC[NH2+]1 ZINC000072344193 176372449 /nfs/dbraw/zinc/37/24/49/176372449.db2.gz AISXFBXAXUEFLP-MRXNPFEDSA-N 1 0 275.396 2.005 40 0 CEABRO CC(C)c1nccn1-c1cncc([C@H]2CCC[NH2+]C2)n1 ZINC000072355921 176375530 /nfs/dbraw/zinc/37/55/30/176375530.db2.gz GGKCDQHGSGMRMA-LBPRGKRZSA-N 1 0 271.368 2.253 40 0 CEABRO CC[N@@H+]1CCC[C@H](c2nccnc2Nc2cnccn2)C1 ZINC000072361582 176377488 /nfs/dbraw/zinc/37/74/88/176377488.db2.gz UOXXUOBJMIQXHS-LBPRGKRZSA-N 1 0 284.367 2.210 40 0 CEABRO C[N@@H+]1CCC[C@@H](c2nccnc2Nc2nccs2)C1 ZINC000072364726 176379777 /nfs/dbraw/zinc/37/97/77/176379777.db2.gz ONSQBBYKCJNLRL-SNVBAGLBSA-N 1 0 275.381 2.486 40 0 CEABRO Cc1nc(NCc2cccnc2)cc([C@H]2CCC[NH2+]C2)n1 ZINC000072364748 176379932 /nfs/dbraw/zinc/37/99/32/176379932.db2.gz RJGNYCCHGKBTFQ-AWEZNQCLSA-N 1 0 283.379 2.259 40 0 CEABRO Cc1ccnc(NC(=O)c2cc([C@H]3CCC[NH2+]3)nc(C)n2)c1 ZINC000072365654 176381229 /nfs/dbraw/zinc/38/12/29/176381229.db2.gz RJDNRHOMFSYCNR-GFCCVEGCSA-N 1 0 297.362 2.165 40 0 CEABRO C[NH2+][C@@H]1CCCC[C@@H]1NC(=O)OCc1ccccc1 ZINC000079437136 177490172 /nfs/dbraw/zinc/49/01/72/177490172.db2.gz ZBBFTRDSLJSSGF-KGLIPLIRSA-N 1 0 262.353 2.443 40 0 CEABRO C[C@]1(c2ccccc2)[C@H]([NH3+])C(=O)N1c1ccccc1 ZINC000256054632 419470493 /nfs/dbraw/zinc/47/04/93/419470493.db2.gz XCNCMEVLLHWOEV-ZBFHGGJFSA-N 1 0 252.317 2.276 40 0 CEABRO O=C(C1CC1)N1Cc2ccccc2C2(CC[NH2+]CC2)C1 ZINC000096157333 260563865 /nfs/dbraw/zinc/56/38/65/260563865.db2.gz MZHPXCMZRPLKAU-UHFFFAOYSA-N 1 0 270.376 2.060 40 0 CEABRO CCO[C@H]1C[N@H+](Cc2ccoc2)[C@@H]2CCCO[C@@H]21 ZINC000096083181 276360083 /nfs/dbraw/zinc/36/00/83/276360083.db2.gz APTRNFIUKIRMGZ-RDBSUJKOSA-N 1 0 251.326 2.048 40 0 CEABRO Cc1cc(C)nc(NCC[NH2+]Cc2ccsc2)n1 ZINC000062717894 333176046 /nfs/dbraw/zinc/17/60/46/333176046.db2.gz PNYOQMOSFFACTB-UHFFFAOYSA-N 1 0 262.382 2.357 40 0 CEABRO C[NH2+]C[C@@H](OC(C)C)c1ccc2c(c1)OCCO2 ZINC000062711675 522035998 /nfs/dbraw/zinc/03/59/98/522035998.db2.gz YSMUGLRICXQJMU-CQSZACIVSA-N 1 0 251.326 2.143 40 0 CEABRO [NH3+]Cc1cn(Cc2cc(Cl)cc(Cl)c2)nn1 ZINC000409423580 623495771 /nfs/dbraw/zinc/49/57/71/623495771.db2.gz PGUKYVJIUHSSCT-UHFFFAOYSA-N 1 0 257.124 2.092 40 0 CEABRO Cc1cccc(CN2CC[C@@H]3[C@@H]2CC[N@@H+]3CC2CC2)n1 ZINC000096038575 185069150 /nfs/dbraw/zinc/06/91/50/185069150.db2.gz FDEQFWXUFSFAIX-SJORKVTESA-N 1 0 271.408 2.449 40 0 CEABRO CO[C@@H]1CC[C@H]2[C@H]1OCC[N@@H+]2CCOCc1ccccc1 ZINC000096041410 185070438 /nfs/dbraw/zinc/07/04/38/185070438.db2.gz BIRCTPOYJKSWCM-GVDBMIGSSA-N 1 0 291.391 2.081 40 0 CEABRO O=C1CC[C@@]2(CCC[N@H+](Cc3ccsc3)CC2)N1 ZINC000096047440 185073514 /nfs/dbraw/zinc/07/35/14/185073514.db2.gz HMSWASPJGMMJLA-CQSZACIVSA-N 1 0 264.394 2.383 40 0 CEABRO CN1C(=O)CCC[C@]12CCC[N@H+](Cc1ccccn1)C2 ZINC000096049968 185075106 /nfs/dbraw/zinc/07/51/06/185075106.db2.gz KBVZWKUZKRZQPF-MRXNPFEDSA-N 1 0 273.380 2.059 40 0 CEABRO CCOC[C@]12CCCO[C@@H]1CC[N@H+](Cc1ccncc1)C2 ZINC000096056812 185077405 /nfs/dbraw/zinc/07/74/05/185077405.db2.gz PBORYDSXKKSBKD-IAGOWNOFSA-N 1 0 290.407 2.489 40 0 CEABRO CCc1ncnc2c1CC[N@H+](Cc1cccnc1)CC2 ZINC000096058607 185078511 /nfs/dbraw/zinc/07/85/11/185078511.db2.gz GEABEENMJGRINO-UHFFFAOYSA-N 1 0 268.364 2.035 40 0 CEABRO COC[C@@H]1CC2(CO1)CC[NH+](Cc1nc(C)cs1)CC2 ZINC000096105805 185098668 /nfs/dbraw/zinc/09/86/68/185098668.db2.gz UFCZXLYTUATSSZ-ZDUSSCGKSA-N 1 0 296.436 2.469 40 0 CEABRO COc1ccc2c3c1O[C@H]1C=CC=C4[C@@H](C2)[N@H+](C)CC[C@@]341 ZINC000038258179 361985204 /nfs/dbraw/zinc/98/52/04/361985204.db2.gz UYDXNVYSAYJCMN-QIIPPGSGSA-N 1 0 281.355 2.450 40 0 biogenic,in-vitro CEABRO [NH3+][C@@H]1CCCN(Cc2ccc(Br)cc2)C1 ZINC000041027533 362013346 /nfs/dbraw/zinc/01/33/46/362013346.db2.gz WJJZTWRYUFHQMT-GFCCVEGCSA-N 1 0 269.186 2.372 40 0 CEABRO C[C@H](C[NH2+]Cc1cccnc1)C(=O)OC(C)(C)C ZINC000047219081 362202031 /nfs/dbraw/zinc/20/20/31/362202031.db2.gz MFSFSOLZYIOTCD-LLVKDONJSA-N 1 0 250.342 2.149 40 0 CEABRO c1ccn([C@H](Cc2ccccc2)c2noc(C3C[NH2+]C3)n2)c1 ZINC000409438870 344889784 /nfs/dbraw/zinc/88/97/84/344889784.db2.gz DTZGTBAUCBWCOZ-OAHLLOKOSA-N 1 0 294.358 2.390 40 0 CEABRO COc1ccc([C@H]2C[NH2+]CCN2C(=O)c2ccccc2)cc1 ZINC000585177544 345009376 /nfs/dbraw/zinc/00/93/76/345009376.db2.gz BOPIREJOQAWMEK-QGZVFWFLSA-N 1 0 296.370 2.482 40 0 CEABRO CC[NH+](CC)CCCN[C@H](C)C(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000057467091 362581640 /nfs/dbraw/zinc/58/16/40/362581640.db2.gz HXTWJHKANGPBIS-HRCADAONSA-N 1 0 297.487 2.201 40 0 CEABRO O=C(CCc1ccc(F)cc1)NCCC[NH+]1CCCC1 ZINC000061548171 362681772 /nfs/dbraw/zinc/68/17/72/362681772.db2.gz PSMKYDBYZJYHLB-UHFFFAOYSA-N 1 0 278.371 2.360 40 0 CEABRO CCCOc1ccc([C@@H](O)C2(C[NH3+])CCOCC2)cc1 ZINC000085395720 179049244 /nfs/dbraw/zinc/04/92/44/179049244.db2.gz ZJERXGACZXFPNM-OAHLLOKOSA-N 1 0 279.380 2.264 40 0 CEABRO c1cn([C@H]2CO[C@@]3(C2)CCC[N@@H+](Cc2ccoc2)C3)cn1 ZINC000107731344 186189506 /nfs/dbraw/zinc/18/95/06/186189506.db2.gz RHHJWYHNAPOFFG-HZPDHXFCSA-N 1 0 287.363 2.472 40 0 CEABRO CN(C)C(=O)[C@@H]1CCC[C@]12CC[N@H+](Cc1ccncc1)C2 ZINC000108536197 186222624 /nfs/dbraw/zinc/22/26/24/186222624.db2.gz FQJZGXQTMMNVHU-DOTOQJQBSA-N 1 0 287.407 2.162 40 0 CEABRO CC(=O)Nc1cccc(NC(=O)CC2CC[NH+](C)CC2)c1 ZINC000074921032 363418710 /nfs/dbraw/zinc/41/87/10/363418710.db2.gz SFHGFPZRVWQQQA-UHFFFAOYSA-N 1 0 289.379 2.315 40 0 CEABRO CCN1C(=O)O[C@]2(CCC[N@H+](Cc3ccccc3)C2)C1=O ZINC000196702964 540171459 /nfs/dbraw/zinc/17/14/59/540171459.db2.gz IUJRDSQLIGVYHT-INIZCTEOSA-N 1 0 288.347 2.020 40 0 CEABRO CCN1C(=O)O[C@@]2(CCC[N@H+](Cc3ccccc3)C2)C1=O ZINC000196702979 538772676 /nfs/dbraw/zinc/77/26/76/538772676.db2.gz IUJRDSQLIGVYHT-MRXNPFEDSA-N 1 0 288.347 2.020 40 0 CEABRO CC[N@@H+](CC(=O)[O-])C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000079393401 363594326 /nfs/dbraw/zinc/59/43/26/363594326.db2.gz VKTHBJSYRBBIES-MRXNPFEDSA-N 1 0 290.407 2.305 40 0 CEABRO O=C([O-])C[N@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)C1CC1 ZINC000079393446 363594361 /nfs/dbraw/zinc/59/43/61/363594361.db2.gz NSEGXCOUTCRDLP-HNNXBMFYSA-N 1 0 288.391 2.058 40 0 CEABRO CCN(Cc1cccc(C(F)(F)F)c1)C(=O)C[NH3+] ZINC000079420841 363598434 /nfs/dbraw/zinc/59/84/34/363598434.db2.gz LYTBHYIIJUVMOF-UHFFFAOYSA-N 1 0 260.259 2.013 40 0 CEABRO C[NH+](C)CCNC(=O)C12CC3C[C@H](C1)CC[C@@H](C3)C2 ZINC000001300081 361199685 /nfs/dbraw/zinc/19/96/85/361199685.db2.gz AOKQKQPZZCHWOT-KKNUOHPOSA-N 1 0 264.413 2.271 40 0 CEABRO O=C1Nc2ccccc2[C@]12CC[NH2+][C@@H]2Cc1ccccc1 ZINC000001628884 361212872 /nfs/dbraw/zinc/21/28/72/361212872.db2.gz LBSLOKHJTVZQDX-AEFFLSMTSA-N 1 0 278.355 2.481 40 0 CEABRO CCCCC(CC[NH+](C)C)(C(=O)OCC)C(=O)OCC ZINC000001760296 361222372 /nfs/dbraw/zinc/22/23/72/361222372.db2.gz AULBFGCILFKTCU-UHFFFAOYSA-N 1 0 287.400 2.241 40 0 CEABRO O[C@@H](COc1ccccc1Cl)C[NH+]1CCCC1 ZINC000002699700 361244742 /nfs/dbraw/zinc/24/47/42/361244742.db2.gz YQRCLZCHNCXIGR-LLVKDONJSA-N 1 0 255.745 2.176 40 0 CEABRO CC(=CNNc1nc(C)cc(C)[nH+]1)c1cccnc1 ZINC000003136241 361264975 /nfs/dbraw/zinc/26/49/75/361264975.db2.gz OISHQGZNXSJDIA-CSKARUKUSA-N 1 0 255.325 2.466 40 0 CEABRO O=C(c1ccco1)N1CC[NH+]([C@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000004508865 361319299 /nfs/dbraw/zinc/31/92/99/361319299.db2.gz JNBIVZBQVAGIIN-MJBXVCDLSA-N 1 0 274.364 2.226 40 0 CEABRO CCOc1ccc(NC(=O)[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000004429620 361316143 /nfs/dbraw/zinc/31/61/43/361316143.db2.gz BCVGPQOKYDOMHP-GFCCVEGCSA-N 1 0 262.353 2.366 40 0 CEABRO CC[NH+](CC)C[C@H](O)COc1cccc(C)c1C ZINC000026780480 361644157 /nfs/dbraw/zinc/64/41/57/361644157.db2.gz IWPAPMJVXOXWMT-AWEZNQCLSA-N 1 0 251.370 2.385 40 0 CEABRO CC(C)(C)OC(=O)N[C@@H]([C@@H]1CC[NH2+]C1)C(F)(F)F ZINC000089223414 363949982 /nfs/dbraw/zinc/94/99/82/363949982.db2.gz IKAZWGHCNUXXGK-SFYZADRCSA-N 1 0 268.279 2.052 40 0 CEABRO COC(=O)[C@@H](C[NH3+])Cc1cccc(Cl)c1Cl ZINC000095097693 364340584 /nfs/dbraw/zinc/34/05/84/364340584.db2.gz LXPCHBZVKYSDOJ-MRVPVSSYSA-N 1 0 262.136 2.284 40 0 CEABRO Fc1cnc(N2CCC[C@@]3(CC[N@H+](CC4CC4)C3)C2)nc1 ZINC000096047182 364400771 /nfs/dbraw/zinc/40/07/71/364400771.db2.gz OGMILMMRXDGYPG-INIZCTEOSA-N 1 0 290.386 2.318 40 0 CEABRO CCO[C@@H]1COC2(C1)CC[NH+](Cc1cccnc1)CC2 ZINC000096158734 364403458 /nfs/dbraw/zinc/40/34/58/364403458.db2.gz OOSJMYMMTVKFFV-HNNXBMFYSA-N 1 0 276.380 2.242 40 0 CEABRO c1ncn2c1C[N@@H+](C1CCC1)C[C@@H](COc1cccnc1)C2 ZINC000096206792 364410607 /nfs/dbraw/zinc/41/06/07/364410607.db2.gz WNBAONWZGZSUSI-CQSZACIVSA-N 1 0 298.390 2.341 40 0 CEABRO COC[C@H]1CCC2(CCN(Cc3ccoc3)CC2)[N@@H+]1C ZINC000096208155 364410845 /nfs/dbraw/zinc/41/08/45/364410845.db2.gz AMUFGPXPRRJJOR-OAHLLOKOSA-N 1 0 278.396 2.355 40 0 CEABRO CC(C)CN1CC2(CC[NH+](Cc3ccoc3)CC2)C1=O ZINC000096202816 364411435 /nfs/dbraw/zinc/41/14/35/364411435.db2.gz YGNMIAHRFGWKAV-UHFFFAOYSA-N 1 0 276.380 2.360 40 0 CEABRO CO[C@H]1COC2(C1)CC[NH+](Cc1scnc1C)CC2 ZINC000096206326 364411480 /nfs/dbraw/zinc/41/14/80/364411480.db2.gz PKMBGXREVZVQFQ-GFCCVEGCSA-N 1 0 282.409 2.221 40 0 CEABRO O=C(c1ccno1)N1CC[C@@]2(C1)CCC[N@H+](CC1CC1)C2 ZINC000096215534 364413280 /nfs/dbraw/zinc/41/32/80/364413280.db2.gz MEBLVZDRXMPNMR-INIZCTEOSA-N 1 0 289.379 2.013 40 0 CEABRO Cc1ccc(C[N@@H+]2CC[C@@]3(C[C@@H]3C(=O)NCC3CC3)C2)o1 ZINC000096228635 364414706 /nfs/dbraw/zinc/41/47/06/364414706.db2.gz IIXRSHWVXRQTTH-NVXWUHKLSA-N 1 0 288.391 2.326 40 0 CEABRO O=C1C[C@]2(CC[N@H+](Cc3ccco3)C2)CN1c1ccccn1 ZINC000096239153 364417171 /nfs/dbraw/zinc/41/71/71/364417171.db2.gz OWOXVTQZNHAIBM-KRWDZBQOSA-N 1 0 297.358 2.304 40 0 CEABRO O=C1Nc2ccccc2[C@]12CC[N@H+](CC1CCC1)C2 ZINC000096244788 364417298 /nfs/dbraw/zinc/41/72/98/364417298.db2.gz ACPTYNFQFLLJPP-MRXNPFEDSA-N 1 0 256.349 2.382 40 0 CEABRO CC(C)NC(=O)C[C@H]1[C@H]2C[N@@H+](Cc3cccs3)C[C@@H]12 ZINC000101910972 364578040 /nfs/dbraw/zinc/57/80/40/364578040.db2.gz MDGKLETYYBUKDP-BTTYYORXSA-N 1 0 278.421 2.341 40 0 CEABRO c1ccc(N2CCC[C@]3(CC[N@@H+]([C@H]4CCOC4)C3)C2)nc1 ZINC000107224775 364709118 /nfs/dbraw/zinc/70/91/18/364709118.db2.gz XHXQCHGEJUTSKP-DOTOQJQBSA-N 1 0 287.407 2.163 40 0 CEABRO C[N@@H+]1CC[C@@]12CCCN(C(=O)CCc1ccccc1)C2 ZINC000585101745 367177457 /nfs/dbraw/zinc/17/74/57/367177457.db2.gz DHIGYMMVLQXNMP-QGZVFWFLSA-N 1 0 272.392 2.316 40 0 CEABRO c1ncc(CN2CC[NH2+]C[C@@H]2c2ccccc2)s1 ZINC000165445249 367308565 /nfs/dbraw/zinc/30/85/65/367308565.db2.gz HVJXPXJOGDFQNT-CQSZACIVSA-N 1 0 259.378 2.290 40 0 CEABRO [NH3+][C@H]1[C@@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218569835 370211329 /nfs/dbraw/zinc/21/13/29/370211329.db2.gz QBHRHUYTHPDMPB-ILXRZTDVSA-N 1 0 291.347 2.093 40 0 CEABRO [NH3+]CCSc1ccc2c(c1)CCC(=O)N2CC1CC1 ZINC000218812251 370212951 /nfs/dbraw/zinc/21/29/51/370212951.db2.gz TYVZSWGRLNVXKG-UHFFFAOYSA-N 1 0 276.405 2.427 40 0 CEABRO CC(C)[C@H]([NH3+])c1nnc2ccc(-c3ccccc3)nn21 ZINC000217564347 370198533 /nfs/dbraw/zinc/19/85/33/370198533.db2.gz HTJBMJZCQHHDLN-AWEZNQCLSA-N 1 0 267.336 2.447 40 0 CEABRO COCC[NH2+]Cc1cccn1-c1ccccc1OC ZINC000223688063 370270056 /nfs/dbraw/zinc/27/00/56/370270056.db2.gz IWSKPUCYGVXIIH-UHFFFAOYSA-N 1 0 260.337 2.222 40 0 CEABRO Cc1ccc(CC(=O)NCCC[NH+]2CCCC2)c(C)c1 ZINC000224934598 370282957 /nfs/dbraw/zinc/28/29/57/370282957.db2.gz KAOGVPUQFCHQOM-UHFFFAOYSA-N 1 0 274.408 2.448 40 0 CEABRO CCC[n+]1cccc(-c2nn3c(CC)nnc3s2)c1 ZINC000226774223 370351459 /nfs/dbraw/zinc/35/14/59/370351459.db2.gz YXGFXLXCLUALRW-UHFFFAOYSA-N 1 0 274.373 2.113 40 0 CEABRO CC(C)(C)OC(=O)Nc1cc2c(cc1C[NH3+])OCCO2 ZINC000228964441 370416297 /nfs/dbraw/zinc/41/62/97/370416297.db2.gz SPVAHOXAFOOBOH-UHFFFAOYSA-N 1 0 280.324 2.264 40 0 CEABRO CC(C)(C)OC(=O)NCCCc1c[nH+]ccc1N ZINC000228942415 370416382 /nfs/dbraw/zinc/41/63/82/370416382.db2.gz YSWDOZSLMMFCDQ-UHFFFAOYSA-N 1 0 251.330 2.121 40 0 CEABRO CCCn1cc(C[NH2+]Cc2cn(CC)nc2C)cn1 ZINC000256053775 190005055 /nfs/dbraw/zinc/00/50/55/190005055.db2.gz SUFOZUVLOCCXPK-UHFFFAOYSA-N 1 0 261.373 2.108 40 0 CEABRO COc1ccc(C[N@H+]2CC[C@H](OC)[C@]3(CCCO3)C2)cc1 ZINC000257207605 190011594 /nfs/dbraw/zinc/01/15/94/190011594.db2.gz BILRSTUMDONCNA-IRXDYDNUSA-N 1 0 291.391 2.465 40 0 CEABRO O[C@H]1CCCC[C@@H]1[NH+]1CCC(O)(c2ccccc2F)CC1 ZINC000257213684 190013051 /nfs/dbraw/zinc/01/30/51/190013051.db2.gz CIQPYJJYXVEWKF-HOTGVXAUSA-N 1 0 293.382 2.413 40 0 CEABRO Cc1cc(Nc2ccccn2)nc([C@H]2CC[NH2+]C2)n1 ZINC000257225031 190015178 /nfs/dbraw/zinc/01/51/78/190015178.db2.gz FENALVWKSZXGOW-NSHDSACASA-N 1 0 255.325 2.001 40 0 CEABRO Cc1ccc(C[N@@H+]2CC[C@H](c3nccc(C)n3)C2)cn1 ZINC000257264705 190023586 /nfs/dbraw/zinc/02/35/86/190023586.db2.gz LVSOEPGIDXOKPG-HNNXBMFYSA-N 1 0 268.364 2.478 40 0 CEABRO O[C@@H]1C[C@H]2C[N@H+](CCCOc3ccccc3F)C[C@H]2C1 ZINC000257256139 190021438 /nfs/dbraw/zinc/02/14/38/190021438.db2.gz KKGAZOXINZVUEI-WDNDVIMCSA-N 1 0 279.355 2.297 40 0 CEABRO CCOCC[N@@H+]1CCC[C@H]1c1cc(NC)nc(C)n1 ZINC000257259421 190021487 /nfs/dbraw/zinc/02/14/87/190021487.db2.gz KYGTUWXKBVHHRP-ZDUSSCGKSA-N 1 0 264.373 2.000 40 0 CEABRO C[NH+](C)Cc1ccnc([C@@H]2CCCN2Cc2ccccn2)n1 ZINC000257293815 190028244 /nfs/dbraw/zinc/02/82/44/190028244.db2.gz QRHGSEIQEOIAEH-INIZCTEOSA-N 1 0 297.406 2.270 40 0 CEABRO c1cnc(Nc2cccc([C@H]3CCC[NH2+]C3)n2)nc1 ZINC000257315793 190032643 /nfs/dbraw/zinc/03/26/43/190032643.db2.gz VCUCFGDZHLZTOG-NSHDSACASA-N 1 0 255.325 2.082 40 0 CEABRO CCNC(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCC[NH2+]1 ZINC000257328454 190035221 /nfs/dbraw/zinc/03/52/21/190035221.db2.gz XFROEHVLORTQNI-KRWDZBQOSA-N 1 0 299.374 2.142 40 0 CEABRO CNc1cc(C)[nH+]c([C@@H]2CCN(Cc3ccn(C)n3)C2)c1 ZINC000257333508 190035272 /nfs/dbraw/zinc/03/52/72/190035272.db2.gz YBVXOPFHYGEFQW-CYBMUJFWSA-N 1 0 285.395 2.155 40 0 CEABRO Cc1c[nH]c([C@H]2CCC[N@H+](Cc3cnc(C)nc3)C2)n1 ZINC000257336816 190036300 /nfs/dbraw/zinc/03/63/00/190036300.db2.gz YQDWZIKPSZRBOA-AWEZNQCLSA-N 1 0 271.368 2.196 40 0 CEABRO C[C@@H]1[C@H](C[NH3+])CCCN1C(=O)OCc1ccccc1 ZINC000261508047 190040078 /nfs/dbraw/zinc/04/00/78/190040078.db2.gz PFJWIVGSPJSBPC-OCCSQVGLSA-N 1 0 262.353 2.382 40 0 CEABRO OCc1ccc2[n+](c1)CC[C@H]1c3ccccc3N[C@@H]21 ZINC000001630878 285299789 /nfs/dbraw/zinc/29/97/89/285299789.db2.gz UKJZAAHCIOGYKL-XJKSGUPXSA-N 1 0 253.325 2.121 40 0 CEABRO Cc1ccc(CN2CC[N@@H+]3C[C@H](OCC4CC4)C[C@H]3C2)o1 ZINC000096249535 256834401 /nfs/dbraw/zinc/83/44/01/256834401.db2.gz UCDXQSWTHRXNLD-DOTOQJQBSA-N 1 0 290.407 2.273 40 0 CEABRO NNc1[nH+]cnc2c1cnn2-c1ccc(Cl)c(Cl)c1 ZINC000016776711 394467102 /nfs/dbraw/zinc/46/71/02/394467102.db2.gz PDXAOSFNCBXLAB-UHFFFAOYSA-N 1 0 295.133 2.408 40 0 CEABRO [NH3+][C@@H]1[C@@H](c2ccc(F)cc2)[C@H]1S(=O)(=O)c1ccccc1 ZINC000242498646 394495763 /nfs/dbraw/zinc/49/57/63/394495763.db2.gz HLGWVPWZGOSSBP-RBSFLKMASA-N 1 0 291.347 2.093 40 0 CEABRO CCOC(=O)[C@@H](CN)C1([NH+]2CCCCC2)CCCCC1 ZINC000072210452 394592376 /nfs/dbraw/zinc/59/23/76/394592376.db2.gz LCNOFJITDOPTRI-CQSZACIVSA-N 1 0 282.428 2.313 40 0 CEABRO O=C1[C@@H]2C[N@H+](Cc3cccnc3)C[C@H]2CN1c1ccccc1 ZINC000253615448 394578434 /nfs/dbraw/zinc/57/84/34/394578434.db2.gz OGHHDTIIPQZBSA-DOTOQJQBSA-N 1 0 293.370 2.176 40 0 CEABRO Cc1cc(N2CCOCC2)ncc1[C@H]([NH3+])c1ccccc1 ZINC000072223559 394594398 /nfs/dbraw/zinc/59/43/98/394594398.db2.gz XMGCFVPDYQBGNI-QGZVFWFLSA-N 1 0 283.375 2.275 40 0 CEABRO CCOC(=O)[C@@H](C[NH3+])[C@@](C)(CC)Nc1ccccc1 ZINC000072210425 394592064 /nfs/dbraw/zinc/59/20/64/394592064.db2.gz CSLWMWGDLMDQTK-UKRRQHHQSA-N 1 0 264.369 2.405 40 0 CEABRO CC(C)[N@@H+]1CCC[C@@H]1c1cncc(-c2cc[nH]n2)n1 ZINC000257283229 394595431 /nfs/dbraw/zinc/59/54/31/394595431.db2.gz OXIPUSVYXFTSKQ-CQSZACIVSA-N 1 0 257.341 2.412 40 0 CEABRO CCO[C@H]1C[C@H]([NH2+][C@H](C(N)=O)c2ccccc2)C1(C)C ZINC000096415092 394684419 /nfs/dbraw/zinc/68/44/19/394684419.db2.gz RTSJYORZFRGZHV-IHRRRGAJSA-N 1 0 276.380 2.006 40 0 CEABRO CC[C@@H]([C@H]([NH3+])c1ccc(C)cc1)S(=O)(=O)CC ZINC000096524951 394697260 /nfs/dbraw/zinc/69/72/60/394697260.db2.gz CKZJMYYKLAUAMS-QWHCGFSZSA-N 1 0 255.383 2.208 40 0 CEABRO Cc1ccc(-c2cnc3n2CCN(C)C32CC[NH2+]CC2)cc1 ZINC000107491974 292030428 /nfs/dbraw/zinc/03/04/28/292030428.db2.gz UXVQOTKMXHTVGU-UHFFFAOYSA-N 1 0 296.418 2.383 40 0 CEABRO C1CC[NH+]([C@H]2CC[C@H]3CCC[C@@H]2C32OCCO2)C1 ZINC000005030042 170058285 /nfs/dbraw/zinc/05/82/85/170058285.db2.gz YGSCVMLJYLKIQS-RDBSUJKOSA-N 1 0 251.370 2.404 40 0 CEABRO C[C@H](C[NH+]1CCCCC1)N1C(=O)c2ccccc2C1=O ZINC000005560091 170113675 /nfs/dbraw/zinc/11/36/75/170113675.db2.gz QFESKPKJLWCPHZ-GFCCVEGCSA-N 1 0 272.348 2.157 40 0 CEABRO CCCCCCOc1ccc(C(=O)NCC[NH3+])c(O)c1 ZINC000005614776 170120028 /nfs/dbraw/zinc/12/00/28/170120028.db2.gz DXQBJPCHKMJATQ-UHFFFAOYSA-N 1 0 280.368 2.040 40 0 CEABRO COC(=O)c1ccc(-c2ccc(C[NH2+]C[C@H](C)O)o2)cc1 ZINC000007538952 170290195 /nfs/dbraw/zinc/29/01/95/170290195.db2.gz SIGDONFLROUBLS-NSHDSACASA-N 1 0 289.331 2.204 40 0 CEABRO [NH3+][C@H](Cc1nc(-c2cccnc2)no1)c1ccccc1 ZINC000022152601 171359393 /nfs/dbraw/zinc/35/93/93/171359393.db2.gz FEDNYQGYGUVUNU-CYBMUJFWSA-N 1 0 266.304 2.374 40 0 CEABRO COc1ccc(OC)c([C@H](C[NH3+])N2CCC[C@@H](C)C2)c1 ZINC000022218433 171376706 /nfs/dbraw/zinc/37/67/06/171376706.db2.gz AXSOXHXUGNIETM-DOMZBBRYSA-N 1 0 278.396 2.436 40 0 CEABRO C[C@@H]1CCCN([C@@H](C[NH3+])c2ccc3c(c2)CCO3)C1 ZINC000037363645 173152180 /nfs/dbraw/zinc/15/21/80/173152180.db2.gz KTBRIIPUKAOJDI-DOMZBBRYSA-N 1 0 260.381 2.353 40 0 CEABRO [NH3+][C@@H]1CCCN(Cc2ccc(Br)s2)C1 ZINC000038539952 174145483 /nfs/dbraw/zinc/14/54/83/174145483.db2.gz UFMSZIOUQWOXDI-MRVPVSSYSA-N 1 0 275.215 2.434 40 0 CEABRO O=C(CN1CC[NH2+]CC1)c1ccc(Cl)cc1Cl ZINC000044605701 175216123 /nfs/dbraw/zinc/21/61/23/175216123.db2.gz DSUOPMQZXVPWEM-UHFFFAOYSA-N 1 0 273.163 2.081 40 0 CEABRO CC(C)c1nccn1-c1cncc([C@@H]2CCC[NH2+]C2)n1 ZINC000072355920 176375772 /nfs/dbraw/zinc/37/57/72/176375772.db2.gz GGKCDQHGSGMRMA-GFCCVEGCSA-N 1 0 271.368 2.253 40 0 CEABRO O=C(Nc1cccc(F)c1)c1cnc([C@@H]2CCC[NH2+]2)cn1 ZINC000072365599 176380574 /nfs/dbraw/zinc/38/05/74/176380574.db2.gz HWFHDVVJYRLADG-LBPRGKRZSA-N 1 0 286.310 2.293 40 0 CEABRO CC(=O)N1CCC[C@@H](c2cc(N(C)C)cc(C)[nH+]2)C1 ZINC000072380833 176387072 /nfs/dbraw/zinc/38/70/72/176387072.db2.gz CGHREMITJPEKCN-CYBMUJFWSA-N 1 0 261.369 2.182 40 0 CEABRO C[C@H](O)C[NH2+]CCNCc1ccc(-c2ccccc2)cc1 ZINC000022076164 262344422 /nfs/dbraw/zinc/34/44/22/262344422.db2.gz WTCHOCAXOWBIAG-HNNXBMFYSA-N 1 0 284.403 2.414 40 0 CEABRO CCOC(=O)N1CCc2ccccc2C12CC[NH2+]CC2 ZINC000096062783 276283799 /nfs/dbraw/zinc/28/37/99/276283799.db2.gz WDQWSORQMYEZJI-UHFFFAOYSA-N 1 0 274.364 2.280 40 0 CEABRO CC(C)(C)OC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000089228997 277188831 /nfs/dbraw/zinc/18/88/31/277188831.db2.gz ZSTAKXXHQUNHGA-UHFFFAOYSA-N 1 0 263.341 2.139 40 0 CEABRO CC(C)C[NH+]1CCC2(CN(C(=O)C(C)C)C2)CC1 ZINC000096070977 277386662 /nfs/dbraw/zinc/38/66/62/277386662.db2.gz AHRZIIJAOMMZIH-UHFFFAOYSA-N 1 0 252.402 2.223 40 0 CEABRO C[C@H]1[NH2+]CC=CC[C@@H]1C(=O)N1CCc2ccccc2C1 ZINC000019462293 280043717 /nfs/dbraw/zinc/04/37/17/280043717.db2.gz YJXLKGJUYSIITG-CJNGLKHVSA-N 1 0 270.376 2.126 40 0 CEABRO Cc1ccc2c(n1)N(C)[C@H](CO)CC[N@@H+](C1CCCC1)C2 ZINC000225493828 281137024 /nfs/dbraw/zinc/13/70/24/281137024.db2.gz LKSPLZWRCDOJTI-INIZCTEOSA-N 1 0 289.423 2.335 40 0 biogenic,in-vitro CEABRO O=C1Nc2ccccc2[C@@]12CC[NH2+][C@@H]2Cc1ccccc1 ZINC000001628882 304689867 /nfs/dbraw/zinc/68/98/67/304689867.db2.gz LBSLOKHJTVZQDX-SJLPKXTDSA-N 1 0 278.355 2.481 40 0 CEABRO Brc1ccc(-c2n[nH]c(C3CC[NH2+]CC3)n2)o1 ZINC000064875543 518208192 /nfs/dbraw/zinc/20/81/92/518208192.db2.gz NFPAAYIQXWUDEW-UHFFFAOYSA-N 1 0 297.156 2.294 40 0 CEABRO c1ccc(C[N@@H+]2C[C@H]3CN(Cc4cccnc4)C[C@H]3C2)nc1 ZINC000096053738 185074894 /nfs/dbraw/zinc/07/48/94/185074894.db2.gz KKKJJFQEUFFWDH-CALCHBBNSA-N 1 0 294.402 2.040 40 0 CEABRO c1ccc(CN2C[C@@H]3C[N@@H+](Cc4ccncc4)C[C@@H]3C2)nc1 ZINC000096053804 185075660 /nfs/dbraw/zinc/07/56/60/185075660.db2.gz RICPREWXZGIYFW-CALCHBBNSA-N 1 0 294.402 2.040 40 0 CEABRO CC(C)Oc1ncnc2c1CC[N@H+](Cc1ccoc1)CC2 ZINC000096058779 185079349 /nfs/dbraw/zinc/07/93/49/185079349.db2.gz FMCFSGHDZHBGMH-UHFFFAOYSA-N 1 0 287.363 2.458 40 0 CEABRO c1cncc(O[C@@H]2CO[C@@]3(CC[N@@H+](CC4CCC4)C3)C2)c1 ZINC000096072453 185088210 /nfs/dbraw/zinc/08/82/10/185088210.db2.gz LVHJIQZLIHSNQM-IRXDYDNUSA-N 1 0 288.391 2.494 40 0 CEABRO [NH3+][C@H]1CCCN(Cc2ccc(Br)cc2)C1 ZINC000041027532 362013164 /nfs/dbraw/zinc/01/31/64/362013164.db2.gz WJJZTWRYUFHQMT-LBPRGKRZSA-N 1 0 269.186 2.372 40 0 CEABRO Cc1ccc(CC(=O)NCC[NH+]2CCCCC2)cc1C ZINC000026114470 343388710 /nfs/dbraw/zinc/38/87/10/343388710.db2.gz YNXXEFVJIWWMEY-UHFFFAOYSA-N 1 0 274.408 2.448 40 0 CEABRO CC(C)OCCC[NH2+]C[C@H](C)C(=O)OC(C)(C)C ZINC000047219149 362201895 /nfs/dbraw/zinc/20/18/95/362201895.db2.gz NFYDMCCDOPTTSV-LBPRGKRZSA-N 1 0 259.390 2.369 40 0 CEABRO c1csc([C@@H](C2CCOCC2)N2CC[NH2+]CC2)c1 ZINC000076703774 343896045 /nfs/dbraw/zinc/89/60/45/343896045.db2.gz SMTZRGXVQVTDGF-CQSZACIVSA-N 1 0 266.410 2.121 40 0 CEABRO CC(C)(C)OC(=O)N[C@@H]1C[NH2+]C[C@H]1C1CCCC1 ZINC000143474148 344405803 /nfs/dbraw/zinc/40/58/03/344405803.db2.gz BPXYRGXZPFXSFZ-NWDGAFQWSA-N 1 0 254.374 2.289 40 0 CEABRO [NH3+]Cc1cn(Cc2ccc(Cl)c(Cl)c2)nn1 ZINC000050224505 362410693 /nfs/dbraw/zinc/41/06/93/362410693.db2.gz GLDITQZSLOMQDO-UHFFFAOYSA-N 1 0 257.124 2.092 40 0 CEABRO FC(F)(F)c1nc(-c2cncc([C@@H]3CCC[NH2+]C3)n2)no1 ZINC000585289054 345010325 /nfs/dbraw/zinc/01/03/25/345010325.db2.gz DPZPWUOHJIKABN-SSDOTTSWSA-N 1 0 299.256 2.012 40 0 CEABRO FC(F)(F)c1nc(-c2cncc([C@H]3CCC[NH2+]C3)n2)no1 ZINC000585289056 345010539 /nfs/dbraw/zinc/01/05/39/345010539.db2.gz DPZPWUOHJIKABN-ZETCQYMHSA-N 1 0 299.256 2.012 40 0 CEABRO C[C@@H]1C[NH2+]CCN1Cc1ccc(C(F)(F)F)cc1 ZINC000054372271 362533115 /nfs/dbraw/zinc/53/31/15/362533115.db2.gz OJRFXWJKJZYNFF-SNVBAGLBSA-N 1 0 258.287 2.499 40 0 CEABRO CC(C)(C)OC(=O)[C@@H]1Cc2cccc3c2N1CC[NH+]=C3 ZINC000602985557 347266840 /nfs/dbraw/zinc/26/68/40/347266840.db2.gz MNUNTDLKYSKBEC-ZDUSSCGKSA-N 1 0 272.348 2.192 40 0 CEABRO C[C@@H]1CN(C(=O)c2ccc3ccccc3c2)CC[NH2+]1 ZINC000067799464 362924148 /nfs/dbraw/zinc/92/41/48/362924148.db2.gz GDBYULGHIAWZIX-GFCCVEGCSA-N 1 0 254.333 2.274 40 0 CEABRO Cn1cnc2c1cc(C1CC[NH2+]CC1)nc2-c1cccnc1 ZINC000107493380 186175650 /nfs/dbraw/zinc/17/56/50/186175650.db2.gz TUACSWYBFJDCGC-UHFFFAOYSA-N 1 0 293.374 2.497 40 0 CEABRO Cc1ccc(-c2cc(C(=O)N3CCC([NH3+])CC3)[nH]n2)c(C)c1 ZINC000070451519 363082846 /nfs/dbraw/zinc/08/28/46/363082846.db2.gz NEQJJUXOKGQDFF-UHFFFAOYSA-N 1 0 298.390 2.257 40 0 CEABRO Cc1cc(C)nc([C@H]2CC[N@@H+](C3CCOCC3)C2)n1 ZINC000072385947 363132532 /nfs/dbraw/zinc/13/25/32/363132532.db2.gz XNJSSLPUZHOOMS-ZDUSSCGKSA-N 1 0 261.369 2.062 40 0 CEABRO Fc1cnc(N2CCC3(CC2)C[NH2+]Cc2ccccc23)nc1 ZINC000096242634 283033196 /nfs/dbraw/zinc/03/31/96/283033196.db2.gz QFYJIIBLBPLYPQ-UHFFFAOYSA-N 1 0 298.365 2.257 40 0 CEABRO CCOc1ccc(C(=O)NCCC[NH+](C)C)cc1C ZINC000074949158 363426241 /nfs/dbraw/zinc/42/62/41/363426241.db2.gz ZTHJHEOQBSRCHE-UHFFFAOYSA-N 1 0 264.369 2.075 40 0 CEABRO CC[C@@H](C)Nc1nc(NCc2cccnc2)cc(C2CC2)[nH+]1 ZINC000329046555 202167206 /nfs/dbraw/zinc/16/72/06/202167206.db2.gz UBXALUOGUUZWPA-GFCCVEGCSA-N 1 0 297.406 2.415 40 0 CEABRO CC(C)[N@@H+](CC(=O)[O-])C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000079393416 363594073 /nfs/dbraw/zinc/59/40/73/363594073.db2.gz LVLBVBVGFMOPGJ-MRXNPFEDSA-N 1 0 290.407 2.304 40 0 CEABRO Cn1c(N)[nH+]cc1-c1ccc(Br)cc1 ZINC000000873778 361194498 /nfs/dbraw/zinc/19/44/98/361194498.db2.gz LWXZQJQVVDYSRU-UHFFFAOYSA-N 1 0 252.115 2.432 40 0 CEABRO CC[NH+](CC)CCN1CC(=O)Nc2cc(Cl)ccc21 ZINC000001702450 361218118 /nfs/dbraw/zinc/21/81/18/361218118.db2.gz XUNHBSIWKNQQPP-UHFFFAOYSA-N 1 0 281.787 2.440 40 0 CEABRO C[n+]1c(I)ccc2ccccc21 ZINC000001707122 361218952 /nfs/dbraw/zinc/21/89/52/361218952.db2.gz JGOJZWADMWKBDX-UHFFFAOYSA-N 1 0 270.093 2.269 40 0 CEABRO Cc1ccc(-c2nc(C)cc(N3CC[NH2+]CC3)n2)cc1 ZINC000006836985 361338787 /nfs/dbraw/zinc/33/87/87/361338787.db2.gz ZVVKRBYRLXAJPH-UHFFFAOYSA-N 1 0 268.364 2.170 40 0 CEABRO C[NH+](C)CCNC(=O)CSCc1cccc(Cl)c1 ZINC000013676582 361436042 /nfs/dbraw/zinc/43/60/42/361436042.db2.gz RDRMSNVLZYFXNX-UHFFFAOYSA-N 1 0 286.828 2.251 40 0 CEABRO Cc1cccc(CNCC(=O)C[NH+]2CCC(C)CC2)c1 ZINC000016349220 361487553 /nfs/dbraw/zinc/48/75/53/361487553.db2.gz XWDQBZQIPXEYAU-UHFFFAOYSA-N 1 0 274.408 2.386 40 0 CEABRO [NH3+]CCN[C@@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000019367687 361528772 /nfs/dbraw/zinc/52/87/72/361528772.db2.gz KSABEOZTQSQRBQ-JKSUJKDBSA-N 1 0 256.349 2.010 40 0 CEABRO CCc1noc(C)c1C(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000019521283 361541857 /nfs/dbraw/zinc/54/18/57/361541857.db2.gz CDFYQTWBDYSUHU-NSHDSACASA-N 1 0 279.384 2.150 40 0 CEABRO CCc1noc(C)c1C(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000019521284 361542011 /nfs/dbraw/zinc/54/20/11/361542011.db2.gz CDFYQTWBDYSUHU-LLVKDONJSA-N 1 0 279.384 2.150 40 0 CEABRO COc1ccc(OC)c(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c1 ZINC000019575736 361544185 /nfs/dbraw/zinc/54/41/85/361544185.db2.gz VSJROCKNJFVGFJ-ZFWWWQNUSA-N 1 0 290.407 2.372 40 0 CEABRO COC(=O)[C@@H](c1ccccc1)[C@@]1(O)C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000013122901 291284862 /nfs/dbraw/zinc/28/48/62/291284862.db2.gz XGFOAXWEGYBKCA-TZDHZFECSA-N 1 0 291.391 2.034 40 0 CEABRO CC(C)(C)OC(=O)N[C@H]([C@@H]1CC[NH2+]C1)C(F)(F)F ZINC000089223416 363949829 /nfs/dbraw/zinc/94/98/29/363949829.db2.gz IKAZWGHCNUXXGK-HTQZYQBOSA-N 1 0 268.279 2.052 40 0 CEABRO C[NH+](C)CCNc1cc(N2CCc3ccccc3C2)ncn1 ZINC000240718451 370779743 /nfs/dbraw/zinc/77/97/43/370779743.db2.gz AOIYDGRFBMOPRY-UHFFFAOYSA-N 1 0 297.406 2.013 40 0 CEABRO CCO[C@H]1COC2(C1)CC[NH+](Cc1cccnc1)CC2 ZINC000096158733 364402420 /nfs/dbraw/zinc/40/24/20/364402420.db2.gz OOSJMYMMTVKFFV-OAHLLOKOSA-N 1 0 276.380 2.242 40 0 CEABRO CN(C)Cc1cnc2n1CC[N@@H+](Cc1ccccc1)CC2 ZINC000096196782 364408822 /nfs/dbraw/zinc/40/88/22/364408822.db2.gz SLRBEJREWZWKGP-UHFFFAOYSA-N 1 0 284.407 2.003 40 0 CEABRO c1nc2n(c1CNc1ccccn1)CC[N@@H+](CC1CC1)CC2 ZINC000096197120 364409326 /nfs/dbraw/zinc/40/93/26/364409326.db2.gz WPQQDAVTKDLJPS-UHFFFAOYSA-N 1 0 297.406 2.158 40 0 CEABRO Cc1cccc(C[NH+]2CCC3(C[C@H]3C(=O)N(C)C)CC2)n1 ZINC000096227797 364415193 /nfs/dbraw/zinc/41/51/93/364415193.db2.gz VLLWNQYLGUCFOP-HNNXBMFYSA-N 1 0 287.407 2.080 40 0 CEABRO C[N@@H+]1CC[C@@]2(C1)c1ccccc1N(CC1CC1)C2=O ZINC000096244835 364417049 /nfs/dbraw/zinc/41/70/49/364417049.db2.gz FFJBFTAHQQYHIP-MRXNPFEDSA-N 1 0 256.349 2.017 40 0 CEABRO CCCC(=O)N1CC2(C1)CC[C@H](C[NH+]1CCCCC1)CO2 ZINC000585093685 367177171 /nfs/dbraw/zinc/17/71/71/367177171.db2.gz SQNFXNNPRLJIJC-OAHLLOKOSA-N 1 0 294.439 2.280 40 0 CEABRO C[N@H+]1Cc2cccn2[C@@H](CCOc2ccccn2)C1 ZINC000248159645 371164685 /nfs/dbraw/zinc/16/46/85/371164685.db2.gz WYVVNRAAHVKLNQ-AWEZNQCLSA-N 1 0 257.337 2.339 40 0 CEABRO O=C(N[C@@H]1CCCN(c2ccccn2)C1)c1ccccc1 ZINC000257238720 371609539 /nfs/dbraw/zinc/60/95/39/371609539.db2.gz HMGFZCDPEFXFPP-OAHLLOKOSA-N 1 0 281.359 2.480 40 0 CEABRO COc1ccccc1[C@H]1CN(c2ccnc(C)n2)CCN1C ZINC000257240023 371610450 /nfs/dbraw/zinc/61/04/50/371610450.db2.gz HRTBLBQGZBKXFF-OAHLLOKOSA-N 1 0 298.390 2.287 40 0 CEABRO CCn1nccc1C[NH2+]Cc1cnn(C(C)C)c1C ZINC000256053106 190004139 /nfs/dbraw/zinc/00/41/39/190004139.db2.gz QBIAQVKJNCNVMK-UHFFFAOYSA-N 1 0 261.373 2.279 40 0 CEABRO O=C(Nc1ccccn1)c1cccc([C@H]2CCC[NH2+]C2)n1 ZINC000257197516 190010321 /nfs/dbraw/zinc/01/03/21/190010321.db2.gz BQGQAKVYIFLYDN-LBPRGKRZSA-N 1 0 282.347 2.196 40 0 CEABRO CCCn1cc(CN2CC[NH2+]C[C@H]2c2ccccc2)cn1 ZINC000257203534 190011273 /nfs/dbraw/zinc/01/12/73/190011273.db2.gz AQMMZZGBANNVNY-KRWDZBQOSA-N 1 0 284.407 2.440 40 0 CEABRO c1cc([C@H]2CCC[N@@H+](CC3CCOCC3)C2)ncn1 ZINC000257211348 190011995 /nfs/dbraw/zinc/01/19/95/190011995.db2.gz BYNVBAGQDWKFSX-AWEZNQCLSA-N 1 0 261.369 2.083 40 0 CEABRO Cc1[nH+]cc2cncc([C@@H]3CCCN(C(=O)C(C)C)C3)n12 ZINC000257214901 190012963 /nfs/dbraw/zinc/01/29/63/190012963.db2.gz CNXMQVLHSYQKNE-CYBMUJFWSA-N 1 0 286.379 2.400 40 0 CEABRO c1ncc(C[N@@H+]2CCC[C@@H](c3ccncn3)C2)s1 ZINC000257267879 190023077 /nfs/dbraw/zinc/02/30/77/190023077.db2.gz MJEPKFLZEUHSHM-LLVKDONJSA-N 1 0 260.366 2.313 40 0 CEABRO CCn1cc(C[N@@H+]2CC[C@@H](c3nccc(C)n3)C2)c(C)n1 ZINC000257284033 190026220 /nfs/dbraw/zinc/02/62/20/190026220.db2.gz PAZOQNVAVOTRQY-CQSZACIVSA-N 1 0 285.395 2.299 40 0 CEABRO Cc1cn(C)c([C@H]2CC[N@H+](Cc3scnc3C)C2)n1 ZINC000257273529 190024421 /nfs/dbraw/zinc/02/44/21/190024421.db2.gz NGZGKIRIMXBYGV-LBPRGKRZSA-N 1 0 276.409 2.483 40 0 CEABRO Cc1cc(-c2cc(C)nc(CC3CC[NH+](C)CC3)n2)n[nH]1 ZINC000257294304 190028116 /nfs/dbraw/zinc/02/81/16/190028116.db2.gz QTMDTYAJRSVPAP-UHFFFAOYSA-N 1 0 285.395 2.368 40 0 CEABRO CC(C)[NH+]1CCC(c2cncc(-c3nccn3C)n2)CC1 ZINC000257292990 190028280 /nfs/dbraw/zinc/02/82/80/190028280.db2.gz QNSFUILRLYGPDG-UHFFFAOYSA-N 1 0 285.395 2.465 40 0 CEABRO Cc1ncc(-c2cc(C)nc([C@H]3CCC[N@H+](C)C3)n2)n1C ZINC000257295684 190028288 /nfs/dbraw/zinc/02/82/88/190028288.db2.gz QZLCODUGTMTZHK-ZDUSSCGKSA-N 1 0 285.395 2.303 40 0 CEABRO Cc1cc(-c2cc(C[C@@H]3CCC[NH2+]C3)ccn2)n[nH]1 ZINC000257315549 190032515 /nfs/dbraw/zinc/03/25/15/190032515.db2.gz VBXDSXRMTKQLLN-ZDUSSCGKSA-N 1 0 256.353 2.322 40 0 CEABRO CC(C)[N@@H+]1CC[C@@H](Cc2cc(-c3nccn3C)ncn2)C1 ZINC000257321338 190033197 /nfs/dbraw/zinc/03/31/97/190033197.db2.gz WBFAPNGCVMCNKC-ZDUSSCGKSA-N 1 0 285.395 2.150 40 0 CEABRO CCCn1cc(C[N@@H+]2CCC[C@H](c3ccncn3)C2)cn1 ZINC000257321848 190033843 /nfs/dbraw/zinc/03/38/43/190033843.db2.gz WDNMMULLDYDIRF-HNNXBMFYSA-N 1 0 285.395 2.463 40 0 CEABRO Fc1cccc(OCc2cc([C@H]3CC[NH2+]C3)n[nH]2)c1 ZINC000257344137 190037689 /nfs/dbraw/zinc/03/76/89/190037689.db2.gz ZVXXZHDYCLMMRU-JTQLQIEISA-N 1 0 261.300 2.205 40 0 CEABRO c1ccc(NC[C@H]2CO[C@@H]3C[N@@H+](C4CCCC4)C[C@H]23)nc1 ZINC000306126526 376539620 /nfs/dbraw/zinc/53/96/20/376539620.db2.gz DYINQGNQFIRBAU-NUEKZKHPSA-N 1 0 287.407 2.383 40 0 CEABRO O=C1CCCN1C1CC[NH+](Cc2ccccc2)CC1 ZINC000040448680 284787509 /nfs/dbraw/zinc/78/75/09/284787509.db2.gz FCDFVQWVYYQEFO-UHFFFAOYSA-N 1 0 258.365 2.273 40 0 CEABRO O=C1N(CC2CC2)CCC12CC[NH+](CC1CC1)CC2 ZINC000096046885 296352327 /nfs/dbraw/zinc/35/23/27/296352327.db2.gz CPHFJHADIPWZTK-UHFFFAOYSA-N 1 0 262.397 2.121 40 0 CEABRO COc1ccc2c(c1)[C@]13CC[NH2+][C@H](C2)[C@H]1CCC(=O)C3 ZINC000096316248 256839078 /nfs/dbraw/zinc/83/90/78/256839078.db2.gz YQDNOFJTUBTARC-OIISXLGYSA-N 1 0 271.360 2.220 40 0 biogenic,in-vitro CEABRO O=C1C[C@@]2(CC[N@H+](Cc3ccco3)C2)CN1c1cccnc1 ZINC000096239106 256829741 /nfs/dbraw/zinc/82/97/41/256829741.db2.gz NEXDJRZXDKLQQD-QGZVFWFLSA-N 1 0 297.358 2.304 40 0 CEABRO CCOC(=O)[C@H]([C@H](C)[NH+]1CCCCC1)N1CCCCC1 ZINC000019366260 394468702 /nfs/dbraw/zinc/46/87/02/394468702.db2.gz IRUSQNAIDMLKBQ-GJZGRUSLSA-N 1 0 282.428 2.278 40 0 CEABRO CCSc1ncc(CNCC[NH+](CC)CC)cn1 ZINC000062718348 394571058 /nfs/dbraw/zinc/57/10/58/394571058.db2.gz DOWJYFNLFCEKEU-UHFFFAOYSA-N 1 0 268.430 2.020 40 0 CEABRO C[NH+](C)CC[C@H]1CCCCN1C(=O)c1cccnc1 ZINC000257248510 394595562 /nfs/dbraw/zinc/59/55/62/394595562.db2.gz JDYWGKGQRNRWKY-CQSZACIVSA-N 1 0 261.369 2.028 40 0 CEABRO [NH3+]CC1([C@@H](O)c2cccc(Br)c2)CC1 ZINC000096527059 394697484 /nfs/dbraw/zinc/69/74/84/394697484.db2.gz RUABSIDHKDZZGB-JTQLQIEISA-N 1 0 256.143 2.221 40 0 CEABRO CCOC(=O)c1n[nH]c(C)c1C[C@@H]([NH3+])c1ccccc1 ZINC000005387021 170093266 /nfs/dbraw/zinc/09/32/66/170093266.db2.gz YYMJRCDFZQRMSL-CYBMUJFWSA-N 1 0 273.336 2.137 40 0 CEABRO CC1(C)O[C@]2(C)CC[C@H]1[C@@H](O)[C@H]2[NH+]1CCCCC1 ZINC000005459429 170101443 /nfs/dbraw/zinc/10/14/43/170101443.db2.gz DYMQRJBTOVFIOV-KYEXWDHISA-N 1 0 253.386 2.179 40 0 CEABRO COc1ccc(-n2c(C)[n+](C)c3ccccc3c2=O)cc1 ZINC000006218945 170183442 /nfs/dbraw/zinc/18/34/42/170183442.db2.gz YBQLYHILBSBIGQ-UHFFFAOYSA-N 1 0 281.335 2.132 40 0 CEABRO C[C@@H](Oc1ccc(Cl)cc1)C(=O)NCCC[NH+](C)C ZINC000014399960 170633249 /nfs/dbraw/zinc/63/32/49/170633249.db2.gz BGVHLKXGJWTQMD-LLVKDONJSA-N 1 0 284.787 2.175 40 0 CEABRO CCOc1ccccc1[C@H](C[NH3+])N1C[C@H](C)O[C@@H](C)C1 ZINC000022169660 171367056 /nfs/dbraw/zinc/36/70/56/171367056.db2.gz KUHBBCHKJVKJPO-YDHLFZDLSA-N 1 0 278.396 2.194 40 0 CEABRO O=C(NC1CC[NH2+]CC1)c1ccccc1C(F)(F)F ZINC000022211162 171373553 /nfs/dbraw/zinc/37/35/53/171373553.db2.gz QLESSDZIELUEAO-UHFFFAOYSA-N 1 0 272.270 2.187 40 0 CEABRO C[C@@H]1CN([C@@H](C[NH3+])c2cc(F)ccc2F)C[C@H](C)O1 ZINC000037233457 173052108 /nfs/dbraw/zinc/05/21/08/173052108.db2.gz AOEFDDJIKRFNLE-RBZYPMLTSA-N 1 0 270.323 2.074 40 0 CEABRO CCc1nccn1-c1cccc([C@@H]2CCC[NH2+]C2)n1 ZINC000072343719 176371910 /nfs/dbraw/zinc/37/19/10/176371910.db2.gz FQHSBOBDLUSACD-GFCCVEGCSA-N 1 0 256.353 2.297 40 0 CEABRO C[NH+]1CCC(Cc2cccc(Nc3ncccn3)n2)CC1 ZINC000072355017 176374681 /nfs/dbraw/zinc/37/46/81/176374681.db2.gz HMVBVFUUSSCKFB-UHFFFAOYSA-N 1 0 283.379 2.500 40 0 CEABRO Cc1cc(NCc2ccncc2)nc(C2CC[NH2+]CC2)n1 ZINC000072364977 176380065 /nfs/dbraw/zinc/38/00/65/176380065.db2.gz WCAKRHZAQIVKMJ-UHFFFAOYSA-N 1 0 283.379 2.259 40 0 CEABRO Cc1cc(CNc2cc(CC[C@H]3CCC[NH2+]3)ncn2)on1 ZINC000072365418 176380568 /nfs/dbraw/zinc/38/05/68/176380568.db2.gz BQAQNTGEGKJCSU-GFCCVEGCSA-N 1 0 287.367 2.070 40 0 CEABRO CC(C)[N@@H+]1CCC[C@@](CCCc2ccccn2)(C(N)=O)C1 ZINC000072366370 176381249 /nfs/dbraw/zinc/38/12/49/176381249.db2.gz LBLMAYGPOKJVQT-QGZVFWFLSA-N 1 0 289.423 2.380 40 0 CEABRO Cc1c[nH]nc1[C@@H]1CCC[N@H+](CC2CCOCC2)C1 ZINC000072386141 176391131 /nfs/dbraw/zinc/39/11/31/176391131.db2.gz RIXJCOOMEXOIGL-CQSZACIVSA-N 1 0 263.385 2.324 40 0 CEABRO COc1cccc(CN2C[C@H]3CCC[N@@H+]3C[C@H]2C)c1OC ZINC000072397536 176394749 /nfs/dbraw/zinc/39/47/49/176394749.db2.gz JKVMYIBCSWDHCB-UKRRQHHQSA-N 1 0 290.407 2.372 40 0 CEABRO C[N@@H+]1CCC[C@H](C(=O)NCCSc2ccccc2)C1 ZINC000078578492 177356173 /nfs/dbraw/zinc/35/61/73/177356173.db2.gz MBXBTNNRZOOMDP-ZDUSSCGKSA-N 1 0 278.421 2.237 40 0 CEABRO CCN(C[C@@H]1CCC[NH2+]1)C(=O)OCc1ccccc1 ZINC000079437782 177491116 /nfs/dbraw/zinc/49/11/16/177491116.db2.gz RNIXVZPLHGJCSB-AWEZNQCLSA-N 1 0 262.353 2.397 40 0 CEABRO C[C@@]1(c2ccccc2)[C@H]([NH3+])C(=O)N1c1ccccc1 ZINC000256054629 419470399 /nfs/dbraw/zinc/47/03/99/419470399.db2.gz XCNCMEVLLHWOEV-GDBMZVCRSA-N 1 0 252.317 2.276 40 0 CEABRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@]1(N)C(F)(F)F ZINC000228906073 260316810 /nfs/dbraw/zinc/31/68/10/260316810.db2.gz NWNOBEWRLOTQFH-PWSUYJOCSA-N 1 0 258.287 2.398 40 0 CEABRO CCSc1ncc(CNCc2ccccn2)cn1 ZINC000062717321 262298873 /nfs/dbraw/zinc/29/88/73/262298873.db2.gz LXYKJPYXXAARKF-UHFFFAOYSA-N 1 0 260.366 2.273 40 0 CEABRO Cn1c2ccccc2c2c1C(=O)[C@@H](C[NH+](C)C)CC2 ZINC000002022222 273801156 /nfs/dbraw/zinc/80/11/56/273801156.db2.gz KVCJCBRUPJFTTJ-LLVKDONJSA-N 1 0 256.349 2.485 40 0 CEABRO COc1cccc(CN2C[C@@H]3CCC[N@@H+]3C[C@H]2C)c1 ZINC000019575144 278011377 /nfs/dbraw/zinc/01/13/77/278011377.db2.gz YWXCEYSSIJOVDP-HIFRSBDPSA-N 1 0 260.381 2.364 40 0 CEABRO Cc1ccc(-c2cn3c4c(n(C)c3n2)CC[NH2+]C4)cc1 ZINC000306126863 278768223 /nfs/dbraw/zinc/76/82/23/278768223.db2.gz FHGPBATXUSEWLE-UHFFFAOYSA-N 1 0 266.348 2.294 40 0 CEABRO COCC[NH+]1CCC2(C[C@H](Oc3ccccc3)CO2)CC1 ZINC000096048148 185072461 /nfs/dbraw/zinc/07/24/61/185072461.db2.gz HHEFWCWIKDSFPA-INIZCTEOSA-N 1 0 291.391 2.335 40 0 CEABRO COc1ccc2ccccc2c1[C@@H](C[NH3+])N1CCOCC1 ZINC000033442884 361780234 /nfs/dbraw/zinc/78/02/34/361780234.db2.gz ZKTNTRRXTPDEHJ-OAHLLOKOSA-N 1 0 286.375 2.180 40 0 CEABRO CC[C@@H]1[N@H+](Cc2cccnc2)CCC[C@]12CCC(=O)N2C ZINC000096052421 185074209 /nfs/dbraw/zinc/07/42/09/185074209.db2.gz SUJYFDCOHZRITD-RDJZCZTQSA-N 1 0 287.407 2.447 40 0 CEABRO c1ccc(OC[C@@H]2C[C@H]3OCC[N@H+](CC4CC4)[C@@H]3C2)nc1 ZINC000096055493 185076212 /nfs/dbraw/zinc/07/62/12/185076212.db2.gz NMVZUPDNUAFYQR-ARFHVFGLSA-N 1 0 288.391 2.350 40 0 CEABRO COC[C@]12CCCO[C@@H]1CC[N@H+](Cc1ccncc1)C2 ZINC000096056728 185077653 /nfs/dbraw/zinc/07/76/53/185077653.db2.gz HVXOOPYFHMJWMJ-HZPDHXFCSA-N 1 0 276.380 2.099 40 0 CEABRO Cc1cc(C[NH2+][C@@H]2CCc3[nH]c(=O)ccc3C2)oc1C ZINC000096067551 185085038 /nfs/dbraw/zinc/08/50/38/185085038.db2.gz VOGYYKDYRSHRFO-CYBMUJFWSA-N 1 0 272.348 2.232 40 0 CEABRO CCCC[C@H]1CN(c2ccccc2C(=O)OC)CC[NH2+]1 ZINC000039952519 361990682 /nfs/dbraw/zinc/99/06/82/361990682.db2.gz QSFWKBIVBSPJGC-ZDUSSCGKSA-N 1 0 276.380 2.442 40 0 CEABRO O[C@@H](COCCOc1ccc(F)cc1)C[NH+]1CCCCC1 ZINC000041690194 362047905 /nfs/dbraw/zinc/04/79/05/362047905.db2.gz MZOMWXDLLQXTTM-OAHLLOKOSA-N 1 0 297.370 2.068 40 0 CEABRO C[C@@H]1CC[C@H](C[NH3+])CN1C(=O)OCc1ccccc1 ZINC000097759062 344245672 /nfs/dbraw/zinc/24/56/72/344245672.db2.gz LJXHWYWQZCPOBL-TZMCWYRMSA-N 1 0 262.353 2.382 40 0 CEABRO C[C@H]1CCCN([C@H](C[NH3+])c2ccc3c(c2)CCO3)C1 ZINC000108350019 344264851 /nfs/dbraw/zinc/26/48/51/344264851.db2.gz KTBRIIPUKAOJDI-SWLSCSKDSA-N 1 0 260.381 2.353 40 0 CEABRO COc1cccc([C@@H](C[NH3+])N2CCC[C@H](C)C2)c1OC ZINC000108349968 344264916 /nfs/dbraw/zinc/26/49/16/344264916.db2.gz IBVVTNVBRHXFIS-GXTWGEPZSA-N 1 0 278.396 2.436 40 0 CEABRO c1ccn([C@@H](c2noc(C3C[NH2+]C3)n2)C2CCCC2)c1 ZINC000409439861 344889718 /nfs/dbraw/zinc/88/97/18/344889718.db2.gz JGNHJEAKQAXYDP-CYBMUJFWSA-N 1 0 272.352 2.338 40 0 CEABRO CC(C)[NH+]1CC2(C1)C[C@H](OCC1CCOCC1)CS2 ZINC000585104990 345005869 /nfs/dbraw/zinc/00/58/69/345005869.db2.gz NFUFZHCZGBCRJC-AWEZNQCLSA-N 1 0 285.453 2.398 40 0 CEABRO CC(C)N1CC2(C1)C[C@@H](COc1ccccn1)CC[N@@H+]2C ZINC000585103528 345006001 /nfs/dbraw/zinc/00/60/01/345006001.db2.gz XNNLQRPGXNGQML-HNNXBMFYSA-N 1 0 289.423 2.265 40 0 CEABRO Cc1cccc(C[C@H]2CC[N@H+](Cc3cncnc3)C[C@H]2O)c1 ZINC000585279672 345009927 /nfs/dbraw/zinc/00/99/27/345009927.db2.gz XASGUNXAWSAIKZ-QZTJIDSGSA-N 1 0 297.402 2.211 40 0 CEABRO O=C(Nc1ccccc1)c1nc2c(s1)CC[NH2+]CC2 ZINC000306128721 201841915 /nfs/dbraw/zinc/84/19/15/201841915.db2.gz HIYYXYVFLVYQRO-UHFFFAOYSA-N 1 0 273.361 2.084 40 0 CEABRO CCn1cc(-c2noc(CC[NH3+])n2)c2ccccc21 ZINC000085397304 179049661 /nfs/dbraw/zinc/04/96/61/179049661.db2.gz KCBNOQPJWDXSKY-UHFFFAOYSA-N 1 0 256.309 2.212 40 0 CEABRO Cc1ccc(CN2CC[C@@H]3[C@@H]2CC[N@@H+]3[C@H]2CCOC2)o1 ZINC000107200322 186162688 /nfs/dbraw/zinc/16/26/88/186162688.db2.gz LKROGKHWLIOURS-CWRNSKLLSA-N 1 0 276.380 2.026 40 0 CEABRO Cc1ccc(C[N@@H+]2CC[C@]3(C[C@H]3C(=O)NCC3CC3)C2)o1 ZINC000107235828 186163100 /nfs/dbraw/zinc/16/31/00/186163100.db2.gz IIXRSHWVXRQTTH-RDJZCZTQSA-N 1 0 288.391 2.326 40 0 CEABRO c1cn([C@H]2CO[C@@]3(C2)CCC[N@@H+](Cc2cccnc2)C3)cn1 ZINC000107731402 186189264 /nfs/dbraw/zinc/18/92/64/186189264.db2.gz SVZHDVPNTPYDSM-IAGOWNOFSA-N 1 0 298.390 2.274 40 0 CEABRO Cc1ccc(C[NH+]2CCC3(CCC(=O)NC3)CC2)o1 ZINC000108526117 186221158 /nfs/dbraw/zinc/22/11/58/186221158.db2.gz ARDWDQYMBBQTFO-UHFFFAOYSA-N 1 0 262.353 2.080 40 0 CEABRO O=C1NCC[C@@]12CCC[N@@H+](Cc1cncc(Cl)c1)CC2 ZINC000108528102 186221255 /nfs/dbraw/zinc/22/12/55/186221255.db2.gz MYTQYAQKEWGIRB-OAHLLOKOSA-N 1 0 293.798 2.227 40 0 CEABRO CC(C)(C)OC(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000071606336 363111144 /nfs/dbraw/zinc/11/11/44/363111144.db2.gz VHKNZTWMVNWAOC-ZDUSSCGKSA-N 1 0 262.353 2.480 40 0 CEABRO c1cc(C[NH+]2CCCCCCC2)nc(N2CCOCC2)n1 ZINC000072397384 363133196 /nfs/dbraw/zinc/13/31/96/363133196.db2.gz DQIMCOWSJWDXDT-UHFFFAOYSA-N 1 0 290.411 2.079 40 0 CEABRO CC(C)(C)OC(=O)N(C[C@@H]1CCCN(CC[NH3+])C1)C1CC1 ZINC000079408637 363597157 /nfs/dbraw/zinc/59/71/57/363597157.db2.gz LOCTUXYHKFROTL-CYBMUJFWSA-N 1 0 297.443 2.057 40 0 CEABRO OCC[N@@H+]1CCCC[C@H]1CN(Cc1ccccc1)C1CC1 ZINC000079414403 363597431 /nfs/dbraw/zinc/59/74/31/363597431.db2.gz IRGAEBXJYHMMRC-SFHVURJKSA-N 1 0 288.435 2.498 40 0 CEABRO OCc1ccc[n+](CCc2c[nH]c3ccccc23)c1 ZINC000001644751 361213448 /nfs/dbraw/zinc/21/34/48/361213448.db2.gz HWWVGSUELIMHKG-UHFFFAOYSA-N 1 0 253.325 2.190 40 0 CEABRO CC[NH+](CC)C[C@@H](O)c1ccnc2c(O)cccc12 ZINC000001709728 361218546 /nfs/dbraw/zinc/21/85/46/361218546.db2.gz MTNZAVIBHKMWPO-CQSZACIVSA-N 1 0 260.337 2.316 40 0 CEABRO C[C@@H]1CN(c2ccc(N)cc2C(F)(F)F)C[C@@H](C)[NH2+]1 ZINC000008701213 361343657 /nfs/dbraw/zinc/34/36/57/361343657.db2.gz DQQBCBCNYZFACE-RKDXNWHRSA-N 1 0 273.302 2.474 40 0 CEABRO CCOc1ccccc1NC(=O)[C@H]1CCC[N@H+](C)C1 ZINC000082326028 363765544 /nfs/dbraw/zinc/76/55/44/363765544.db2.gz XDEIKPCOHKPNLE-LBPRGKRZSA-N 1 0 262.353 2.366 40 0 CEABRO O=C(CCCOc1ccccc1)NCCC[NH+]1CCCC1 ZINC000010539100 361353609 /nfs/dbraw/zinc/35/36/09/361353609.db2.gz YQRGVAQMSWLVTG-UHFFFAOYSA-N 1 0 290.407 2.448 40 0 CEABRO C[NH+](C)CC(=O)N[C@@H](Cc1cccs1)c1nccs1 ZINC000012226061 361376109 /nfs/dbraw/zinc/37/61/09/361376109.db2.gz YZVMHJXEOLNBKO-NSHDSACASA-N 1 0 295.433 2.166 40 0 CEABRO C[C@@H](Oc1ccccc1Cl)C(=O)NCCC[NH+](C)C ZINC000013710088 361438747 /nfs/dbraw/zinc/43/87/47/361438747.db2.gz CVHLGBWWPWKWDE-LLVKDONJSA-N 1 0 284.787 2.175 40 0 CEABRO CCOc1ccccc1NC(=S)NCCC[NH+](C)C ZINC000013820733 361443489 /nfs/dbraw/zinc/44/34/89/361443489.db2.gz JSQFHCCGYJJJNO-UHFFFAOYSA-N 1 0 281.425 2.323 40 0 CEABRO Cc1cccc(OC[C@H](O)C[N@H+]2CCC[C@@H](C)C2)c1 ZINC000017135481 361504682 /nfs/dbraw/zinc/50/46/82/361504682.db2.gz SVKRAUOKQPVBIT-HUUCEWRRSA-N 1 0 263.381 2.467 40 0 CEABRO c1coc(-c2cc3ncc4c(n3n2)C[C@@H]2CC[C@H]4[NH2+]2)c1 ZINC000019342532 361528525 /nfs/dbraw/zinc/52/85/25/361528525.db2.gz SXKNIILRFGAMKG-GXSJLCMTSA-N 1 0 266.304 2.339 40 0 CEABRO CCC(=O)c1ccc(OC[C@@H](O)C[NH2+][C@@H](C)CC)cc1 ZINC000016739476 361497123 /nfs/dbraw/zinc/49/71/23/361497123.db2.gz PQRYMHNEEMGICM-JSGCOSHPSA-N 1 0 279.380 2.407 40 0 CEABRO COc1cc(OC)cc([C@@H](C[NH3+])N2CCC(C)CC2)c1 ZINC000019840853 361561246 /nfs/dbraw/zinc/56/12/46/361561246.db2.gz HGVJAWYAYJJGDN-MRXNPFEDSA-N 1 0 278.396 2.436 40 0 CEABRO O=C1N(Cc2ccc(Cl)cc2)CC[C@@]12CCC[NH2+]C2 ZINC000023509128 361600408 /nfs/dbraw/zinc/60/04/08/361600408.db2.gz RUYMSFNPVJXKEX-OAHLLOKOSA-N 1 0 278.783 2.442 40 0 CEABRO c1coc(CN2C[C@@H]([NH+]3CCCC3)[C@H]3OCCC[C@H]3C2)c1 ZINC000096057099 364399572 /nfs/dbraw/zinc/39/95/72/364399572.db2.gz ZELOTAUDEHCJAO-UAGQMJEPSA-N 1 0 290.407 2.355 40 0 CEABRO Cc1cnc(N2CC[C@]3(CCC[N@@H+]3CC3CC3)C2)nc1 ZINC000096203050 364410487 /nfs/dbraw/zinc/41/04/87/364410487.db2.gz POHHTZHUTRRTBT-MRXNPFEDSA-N 1 0 272.396 2.240 40 0 CEABRO COC[C@H]1CC2(CO1)CC[NH+](Cc1ccccn1)CC2 ZINC000096206251 364410716 /nfs/dbraw/zinc/41/07/16/364410716.db2.gz XVCXNZXVWNTXJB-OAHLLOKOSA-N 1 0 276.380 2.099 40 0 CEABRO CO[C@@H]1CC[N@H+](Cc2sccc2C)[C@H]2CCO[C@@H]21 ZINC000096219170 364412550 /nfs/dbraw/zinc/41/25/50/364412550.db2.gz SGEOJLCHKQWUOB-SCRDCRAPSA-N 1 0 267.394 2.435 40 0 CEABRO C[N@@H+]1CC[C@@]2(C1)CCC[C@H](CNc1ccccn1)O2 ZINC000096216918 364413082 /nfs/dbraw/zinc/41/30/82/364413082.db2.gz MKYVTTSWJAHNSI-UKRRQHHQSA-N 1 0 261.369 2.137 40 0 CEABRO CC(=O)N[C@H]1c2cccc(F)c2[C@H]2C[N@H+](C(C)C)C[C@@H]12 ZINC000096261713 364418129 /nfs/dbraw/zinc/41/81/29/364418129.db2.gz HWYOERBWYGVHTG-ZENOOKHLSA-N 1 0 276.355 2.440 40 0 CEABRO [NH3+]Cc1cn(Cc2ccc(C(F)(F)F)cc2)cn1 ZINC000098213992 364538220 /nfs/dbraw/zinc/53/82/20/364538220.db2.gz SCJLPTGEGILOLY-UHFFFAOYSA-N 1 0 255.243 2.409 40 0 CEABRO CC1CC[NH+](CCCNC(=O)C2CCCC2)CC1 ZINC000224198966 189740979 /nfs/dbraw/zinc/74/09/79/189740979.db2.gz AYQYCJJYHCZGMU-UHFFFAOYSA-N 1 0 252.402 2.415 40 0 CEABRO C[C@@H]1C[C@@]1(C[NH3+])[C@@H](O)c1ccc(Br)cc1 ZINC000216575651 370190477 /nfs/dbraw/zinc/19/04/77/370190477.db2.gz FWYXTFJWBKBSSN-ZHAHWJHGSA-N 1 0 270.170 2.467 40 0 CEABRO COc1ccc([C@H]2C[N@@H+](C3CCOCC3)CCN2C)cc1 ZINC000257282443 371611219 /nfs/dbraw/zinc/61/12/19/371611219.db2.gz OTUGADXVVWEWDK-QGZVFWFLSA-N 1 0 290.407 2.163 40 0 CEABRO OCCN1CCC[C@@H]1c1n[nH]cc1-c1ccccc1F ZINC000257330569 371612943 /nfs/dbraw/zinc/61/29/43/371612943.db2.gz XOYICFBYNDLDDJ-CQSZACIVSA-N 1 0 275.327 2.345 40 0 CEABRO CCCn1cc(C[NH2+]Cc2ccnn2CCC)c(C)n1 ZINC000256050599 190003243 /nfs/dbraw/zinc/00/32/43/190003243.db2.gz FRPITTVPZBIEPH-UHFFFAOYSA-N 1 0 275.400 2.498 40 0 CEABRO COc1ccccc1C[NH2+]Cc1cnn(CCF)c1 ZINC000256052145 190004340 /nfs/dbraw/zinc/00/43/40/190004340.db2.gz MBEKYVPABYNQKW-UHFFFAOYSA-N 1 0 263.316 2.151 40 0 CEABRO Cc1ccc(C[N@@H+]2CC[C@H](O)[C@]3(CCCO3)C2)cc1 ZINC000257213542 190012853 /nfs/dbraw/zinc/01/28/53/190012853.db2.gz CIAFGVNFKDSCEN-HOTGVXAUSA-N 1 0 261.365 2.111 40 0 CEABRO CCCn1nccc1-c1nccnc1C[C@@H]1CCC[NH2+]C1 ZINC000257224453 190015550 /nfs/dbraw/zinc/01/55/50/190015550.db2.gz FBWXYLCSGQWSNS-ZDUSSCGKSA-N 1 0 285.395 2.292 40 0 CEABRO C[N@@H+]1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N(C(=O)c1cncs1)C2 ZINC000257236823 190017590 /nfs/dbraw/zinc/01/75/90/190017590.db2.gz HDXUXXUWVXJKFL-DNVSUFBTSA-N 1 0 291.420 2.230 40 0 CEABRO Cc1noc(C)c1-c1cc(C[C@@H]2CCC[NH2+]C2)ncn1 ZINC000257259435 190021344 /nfs/dbraw/zinc/02/13/44/190021344.db2.gz KYIOFOCAPXRYLG-LBPRGKRZSA-N 1 0 272.352 2.291 40 0 CEABRO Fc1ccccc1OCc1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000257259042 190021512 /nfs/dbraw/zinc/02/15/12/190021512.db2.gz KWPDZYSIGCNVQZ-JTQLQIEISA-N 1 0 261.300 2.205 40 0 CEABRO CN(C)Cc1cncc([C@H]2CCC[N@@H+]2CC2CC2)n1 ZINC000257262425 190022685 /nfs/dbraw/zinc/02/26/85/190022685.db2.gz LLIRCDJYKSUIDU-OAHLLOKOSA-N 1 0 260.385 2.085 40 0 CEABRO Cc1n[nH]c(C)c1-c1cnc(CC2CC[NH+](C)CC2)cn1 ZINC000257283989 190026140 /nfs/dbraw/zinc/02/61/40/190026140.db2.gz PAUCYMYDQXNENA-UHFFFAOYSA-N 1 0 285.395 2.368 40 0 CEABRO Fc1ccccc1Cc1cccc([C@@H]2C[NH2+]CCO2)n1 ZINC000257284490 190026141 /nfs/dbraw/zinc/02/61/41/190026141.db2.gz PCXBORZNXLTIEP-INIZCTEOSA-N 1 0 272.323 2.472 40 0 CEABRO CNc1cc(C)[nH+]c([C@H]2CCN(Cc3c[nH]cn3)C2)c1 ZINC000257274131 190024952 /nfs/dbraw/zinc/02/49/52/190024952.db2.gz NJRLTDPFJWPQDG-LBPRGKRZSA-N 1 0 271.368 2.144 40 0 CEABRO Cc1ncc(-c2cncc(C[C@H]3CCC[NH2+]C3)n2)s1 ZINC000257320170 190033257 /nfs/dbraw/zinc/03/32/57/190033257.db2.gz VVQBKWSERNNUGK-LLVKDONJSA-N 1 0 274.393 2.451 40 0 CEABRO CC(C)c1nccn1-c1cncc([C@@H]2CCC[NH2+]2)n1 ZINC000257318607 190033605 /nfs/dbraw/zinc/03/36/05/190033605.db2.gz VORQKQMWWWICMN-NSHDSACASA-N 1 0 257.341 2.210 40 0 CEABRO C[C@]12CCCN(C(=O)c3cccnc3)[C@H]1CCCC[NH2+]2 ZINC000257340962 190037079 /nfs/dbraw/zinc/03/70/79/190037079.db2.gz ZIGPSJVXLCJRLH-HOCLYGCPSA-N 1 0 273.380 2.218 40 0 CEABRO COc1ccc2c(c1)CCN1[C@H]3CCC[N@H+]3CC[C@@H]21 ZINC000019326986 394468643 /nfs/dbraw/zinc/46/86/43/394468643.db2.gz XDZYAXIEADIXLB-HOTGVXAUSA-N 1 0 258.365 2.420 40 0 CEABRO CC(C)(C)c1ccc(C(=O)N2CCC[NH2+]CC2)cc1 ZINC000019679959 394469766 /nfs/dbraw/zinc/46/97/66/394469766.db2.gz RPICGZAXAQQCMZ-UHFFFAOYSA-N 1 0 260.381 2.420 40 0 CEABRO CC(C)Nc1nc(NCc2ccco2)cc(C2CC2)[nH+]1 ZINC000329055355 394560573 /nfs/dbraw/zinc/56/05/73/394560573.db2.gz VNDVPFLYPOQDKS-UHFFFAOYSA-N 1 0 272.352 2.223 40 0 CEABRO Cc1cc(C[NH3+])cnc1N1CCc2ccccc2C1 ZINC000072222841 394594595 /nfs/dbraw/zinc/59/45/95/394594595.db2.gz CMCGKPATZIKWHJ-UHFFFAOYSA-N 1 0 253.349 2.411 40 0 CEABRO CC(C)[N@@H+]1CCC[C@@H](c2nccnc2-c2ncc[nH]2)C1 ZINC000257240437 394595540 /nfs/dbraw/zinc/59/55/40/394595540.db2.gz HTMURXPWLKNAQA-GFCCVEGCSA-N 1 0 271.368 2.455 40 0 CEABRO Nc1ncnc2nc([C@H]3CCC[NH2+]C3)cc(C(F)(F)F)c12 ZINC000257231750 394595560 /nfs/dbraw/zinc/59/55/60/394595560.db2.gz GIAXFAGYERJUQW-ZETCQYMHSA-N 1 0 297.284 2.093 40 0 CEABRO Cc1cc(NC2CC3(C2)CC[N@H+](CC2CC2)C3)ncn1 ZINC000257307762 394595589 /nfs/dbraw/zinc/59/55/89/394595589.db2.gz TUAAJFQBYMYEFG-UHFFFAOYSA-N 1 0 272.396 2.461 40 0 CEABRO CCOC[C@]12CCCO[C@@H]1CC[N@H+](CC1CCOCC1)C2 ZINC000096056860 394676106 /nfs/dbraw/zinc/67/61/06/394676106.db2.gz FXKMOSYEZHUKCQ-IAGOWNOFSA-N 1 0 297.439 2.321 40 0 CEABRO O=C(c1ccsc1)N1CCC2(CCC[NH2+]C2)CC1 ZINC000096157229 394676668 /nfs/dbraw/zinc/67/66/68/394676668.db2.gz ZUXXCMWGSOQSRU-UHFFFAOYSA-N 1 0 264.394 2.354 40 0 CEABRO CCS(=O)(=O)C[C@@H]([NH3+])c1ccc(Cl)cc1Cl ZINC000096524760 394696572 /nfs/dbraw/zinc/69/65/72/394696572.db2.gz VTCJHCXXMJEQSN-SNVBAGLBSA-N 1 0 282.192 2.428 40 0 CEABRO Fc1cccc(-c2ccc3nnc([C@@H]4CCC[NH2+]4)n3n2)c1 ZINC000096530155 394698139 /nfs/dbraw/zinc/69/81/39/394698139.db2.gz AFXNEQDSMGCXHQ-ZDUSSCGKSA-N 1 0 283.310 2.355 40 0 CEABRO CN(C(=O)[C@@H]1C[C@@H]1c1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000161934383 395068581 /nfs/dbraw/zinc/06/85/81/395068581.db2.gz UWDQIUGKCINYGT-RBSFLKMASA-N 1 0 258.365 2.001 40 0 CEABRO C[NH2+]CCNc1nc(Cl)nc(Nc2cccc(F)c2)n1 ZINC000199800510 400297654 /nfs/dbraw/zinc/29/76/54/400297654.db2.gz SFXQJWOOMNMWHJ-UHFFFAOYSA-N 1 0 296.737 2.039 40 0 CEABRO COc1ccc(CCC(=O)NC2CC[NH+](C)CC2)cc1C ZINC000223672486 400311153 /nfs/dbraw/zinc/31/11/53/400311153.db2.gz GEDAXAOSOQZNJA-UHFFFAOYSA-N 1 0 290.407 2.147 40 0 CEABRO CCOC[C@@H]1CCC[C@@]12C[N@H+](CC1CC1)CCO2 ZINC000096051877 286151418 /nfs/dbraw/zinc/15/14/18/286151418.db2.gz ZIRZDEJMXNBWGB-LSDHHAIUSA-N 1 0 253.386 2.304 40 0 CEABRO Fc1ccc(NC(=S)NCC[NH+]2CCCC2)cc1 ZINC000006512459 170208664 /nfs/dbraw/zinc/20/86/64/170208664.db2.gz ZSEWMHSXUCFJKQ-UHFFFAOYSA-N 1 0 267.373 2.208 40 0 CEABRO COc1ccc([C@H](C[NH3+])N2CCC[C@@H](C)C2)c(OC)c1 ZINC000022215178 171375460 /nfs/dbraw/zinc/37/54/60/171375460.db2.gz SBZBRJHTMRUIII-DOMZBBRYSA-N 1 0 278.396 2.436 40 0 CEABRO COc1cc([C@H]2CCC[NH2+]C2)cc(OC)c1OC ZINC000038539235 174145441 /nfs/dbraw/zinc/14/54/41/174145441.db2.gz FRXBSJMDBFVZJP-JTQLQIEISA-N 1 0 251.326 2.179 40 0 CEABRO COc1ccc(CN2CCC[C@@H]([NH3+])C2)cc1Cl ZINC000038539704 174145553 /nfs/dbraw/zinc/14/55/53/174145553.db2.gz GFEYURYTFSWJOM-LLVKDONJSA-N 1 0 254.761 2.272 40 0 CEABRO Cc1ccccc1C[NH+]1CCC(C(=O)N(C)C)CC1 ZINC000039767829 174172086 /nfs/dbraw/zinc/17/20/86/174172086.db2.gz IOBWOHPEXYZORK-UHFFFAOYSA-N 1 0 260.381 2.295 40 0 CEABRO Brc1ccccc1CN[C@H]1CCC[NH2+]C1 ZINC000043327537 175009215 /nfs/dbraw/zinc/00/92/15/175009215.db2.gz RNUZWIDMQNFKHE-NSHDSACASA-N 1 0 269.186 2.291 40 0 CEABRO CN(c1cccc(Br)n1)[C@H]1CCC[NH2+]C1 ZINC000072203508 176341603 /nfs/dbraw/zinc/34/16/03/176341603.db2.gz QVKIMZLMQJAUHR-VIFPVBQESA-N 1 0 270.174 2.032 40 0 CEABRO Cn1cccc1C[N@@H+]1CCC[C@@H](c2cnccn2)C1 ZINC000072369367 176384065 /nfs/dbraw/zinc/38/40/65/176384065.db2.gz VIIYNUBXSVLGGR-CYBMUJFWSA-N 1 0 256.353 2.195 40 0 CEABRO Cc1cc(Nc2cccc([C@@H]3CCC[N@@H+]3CCO)n2)no1 ZINC000072383039 176388442 /nfs/dbraw/zinc/38/84/42/176388442.db2.gz ZUYKMGCTTZYUQL-ZDUSSCGKSA-N 1 0 288.351 2.251 40 0 CEABRO c1cnc(C2CC[NH+](CC3CCOCC3)CC2)cn1 ZINC000072386149 176390902 /nfs/dbraw/zinc/39/09/02/176390902.db2.gz VQCDMNWUSODPFW-UHFFFAOYSA-N 1 0 261.369 2.083 40 0 CEABRO CC(=O)OCc1ccc(CN2C[C@H]3CCC[N@H+]3C[C@H]2C)o1 ZINC000072397548 176394681 /nfs/dbraw/zinc/39/46/81/176394681.db2.gz PZLFJHQRYKIHEQ-TZMCWYRMSA-N 1 0 292.379 2.011 40 0 CEABRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cccc2nccnc12 ZINC000072397545 176394803 /nfs/dbraw/zinc/39/48/03/176394803.db2.gz QSQAIYIXQLYKIS-HIFRSBDPSA-N 1 0 282.391 2.298 40 0 CEABRO [NH3+]CCSC[C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000079392264 177475840 /nfs/dbraw/zinc/47/58/40/177475840.db2.gz VJEKDCCFTCFMKN-CQSZACIVSA-N 1 0 294.420 2.337 40 0 CEABRO [NH3+]CCS[C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000079392254 177475854 /nfs/dbraw/zinc/47/58/54/177475854.db2.gz YETCXDAUKROERF-CYBMUJFWSA-N 1 0 280.393 2.089 40 0 CEABRO CCCNc1ncc(C[NH2+]CCCOC(C)C)cn1 ZINC000062717718 262302492 /nfs/dbraw/zinc/30/24/92/262302492.db2.gz DZWYTMFIDFJNLA-UHFFFAOYSA-N 1 0 266.389 2.203 40 0 CEABRO C[C@@H]1CN(c2cccc(CC3CC[NH+](C)CC3)n2)C(=O)O1 ZINC000257285009 274365221 /nfs/dbraw/zinc/36/52/21/274365221.db2.gz PFGBYXDRRMCDET-GFCCVEGCSA-N 1 0 289.379 2.311 40 0 CEABRO Brc1ccc2c(c1)[C@@]1(CC[NH2+]1)CCO2 ZINC000306146016 275372040 /nfs/dbraw/zinc/37/20/40/275372040.db2.gz ZJHASWCQEMVRHT-LLVKDONJSA-N 1 0 254.127 2.420 40 0 CEABRO C[NH+]1CCC2(CCCN(c3nccs3)C2)CC1 ZINC000096071779 277036908 /nfs/dbraw/zinc/03/69/08/277036908.db2.gz HKKPTFSBMVLLHP-UHFFFAOYSA-N 1 0 251.399 2.455 40 0 CEABRO CC(C)(C)OC(=O)N=c1[nH]c2c(s1)C[C@H]([NH3+])CC2 ZINC000258563030 277205024 /nfs/dbraw/zinc/20/50/24/277205024.db2.gz OMBSPLFLJONFRP-SSDOTTSWSA-N 1 0 269.370 2.306 40 0 CEABRO COCC[C@H]1C[N@H+](CC2CCCC2)Cc2ccnn21 ZINC000247910883 277241510 /nfs/dbraw/zinc/24/15/10/277241510.db2.gz YHUCIBRRKZUYDG-HNNXBMFYSA-N 1 0 263.385 2.467 40 0 CEABRO COc1ncnc2c1CC[N@H+](Cc1ccc(F)cc1)CC2 ZINC000096058738 278098963 /nfs/dbraw/zinc/09/89/63/278098963.db2.gz ULPXCBJDLWFASY-UHFFFAOYSA-N 1 0 287.338 2.225 40 0 CEABRO [NH3+]CCc1c[nH]c(Cc2ccc(Br)cc2)n1 ZINC000062716575 527195416 /nfs/dbraw/zinc/19/54/16/527195416.db2.gz PYLKNZIKGHWXCU-UHFFFAOYSA-N 1 0 280.169 2.264 40 0 CEABRO Cn1nc(C2CCCC2)cc1[C@H]1CN2CC[C@H]1C[C@@H]2C[NH3+] ZINC000035415803 631210402 /nfs/dbraw/zinc/21/04/02/631210402.db2.gz VUOCZKAFEHESLO-ZNMIVQPWSA-N 1 0 288.439 2.214 40 0 biogenic,in-vitro CEABRO CO[C@H]1CC[C@H]2[C@H]1OCC[N@@H+]2CCOCc1ccccc1 ZINC000096041940 185069999 /nfs/dbraw/zinc/06/99/99/185069999.db2.gz BIRCTPOYJKSWCM-YESZJQIVSA-N 1 0 291.391 2.081 40 0 CEABRO CCOC[C@]12CCCO[C@@H]1CC[N@H+](Cc1ccccn1)C2 ZINC000096056804 185077231 /nfs/dbraw/zinc/07/72/31/185077231.db2.gz BSKDQECSJKCUNS-IAGOWNOFSA-N 1 0 290.407 2.489 40 0 CEABRO COC[C@]12CCCO[C@H]1CC[N@H+](Cc1ccncc1)C2 ZINC000096056730 185078181 /nfs/dbraw/zinc/07/81/81/185078181.db2.gz HVXOOPYFHMJWMJ-JKSUJKDBSA-N 1 0 276.380 2.099 40 0 CEABRO C[C@@H]1CCCC[N@@H+]1C[C@H](O)COc1ccc(F)cc1 ZINC000035031497 361804397 /nfs/dbraw/zinc/80/43/97/361804397.db2.gz WWQSPLICWQFGRY-OCCSQVGLSA-N 1 0 267.344 2.440 40 0 CEABRO c1cncc(O[C@H]2CO[C@@]3(CC[N@@H+](CC4CCC4)C3)C2)c1 ZINC000096072452 185088344 /nfs/dbraw/zinc/08/83/44/185088344.db2.gz LVHJIQZLIHSNQM-SJORKVTESA-N 1 0 288.391 2.494 40 0 CEABRO c1ccc(C[N@H+]2CC[C@H]3[C@H]2CCN3Cc2cccnc2)nc1 ZINC000096083014 185093229 /nfs/dbraw/zinc/09/32/29/185093229.db2.gz AEHQUODIIJBNPO-ZWKOTPCHSA-N 1 0 294.402 2.325 40 0 CEABRO CCOC[C@H]1CC2(CO1)CC[NH+](CC1CCOCC1)CC2 ZINC000096105903 185099032 /nfs/dbraw/zinc/09/90/32/185099032.db2.gz SAEAUNBWWLGBNP-MRXNPFEDSA-N 1 0 297.439 2.321 40 0 CEABRO c1coc(-c2nnc([C@H]3CC[N@@H+](C4CCOCC4)C3)o2)c1 ZINC000049169521 362343113 /nfs/dbraw/zinc/34/31/13/362343113.db2.gz KEWTTZDQZJQVBV-NSHDSACASA-N 1 0 289.335 2.298 40 0 biogenic,in-vitro CEABRO CCOC(=O)[C@@H](N)[C@@]1([NH+](C)C)C[C@@H]2CC[C@@]1(C)C2(C)C ZINC000216349774 344534878 /nfs/dbraw/zinc/53/48/78/344534878.db2.gz AGHKBSYGIOWTQD-VZAMPYOESA-N 1 0 282.428 2.023 40 0 CEABRO CN(C(=O)c1c[nH]c2ccccc21)[C@H]1CCC[NH2+]CC1 ZINC000231303591 344574531 /nfs/dbraw/zinc/57/45/31/344574531.db2.gz ROWGDCAPWRXMIC-LBPRGKRZSA-N 1 0 271.364 2.382 40 0 CEABRO CC(C)[N@@H+]1CC[C@H](NC(=O)OCc2ccccc2)C1 ZINC000307369443 344721946 /nfs/dbraw/zinc/72/19/46/344721946.db2.gz QYRHPZBDSVGXKW-AWEZNQCLSA-N 1 0 262.353 2.396 40 0 CEABRO CC(C)(C)OC(=O)N1CCC2(CC1)OCC[C@H]2CC[NH3+] ZINC000381909085 344825651 /nfs/dbraw/zinc/82/56/51/344825651.db2.gz XRJZCTFEQWCZOV-GFCCVEGCSA-N 1 0 284.400 2.141 40 0 CEABRO c1ccn([C@H](c2noc(C3C[NH2+]C3)n2)c2ccccc2)c1 ZINC000409442094 344889477 /nfs/dbraw/zinc/88/94/77/344889477.db2.gz SWIWVEZTBWHRAU-AWEZNQCLSA-N 1 0 280.331 2.196 40 0 CEABRO C[Si]1(C)C[NH2+][C@@H](CNC(=O)OCc2ccccc2)C1 ZINC000584905806 345005131 /nfs/dbraw/zinc/00/51/31/345005131.db2.gz AXKZYGIBKFDIID-ZDUSSCGKSA-N 1 0 278.428 2.132 40 0 CEABRO Cc1n[nH]c(C)c1C[N@@H+]1CC[C@H](Cc2ccccc2)[C@@H](O)C1 ZINC000585278790 345009784 /nfs/dbraw/zinc/00/97/84/345009784.db2.gz GHKMUWRCSTYQFK-AEFFLSMTSA-N 1 0 299.418 2.452 40 0 CEABRO O[C@H]1[C@H](Oc2ccc(F)cc2)CCC[C@@H]1[NH2+]C1CC1 ZINC000585285288 345010012 /nfs/dbraw/zinc/01/00/12/345010012.db2.gz NUAHRNOHQFQAPN-RRFJBIMHSA-N 1 0 265.328 2.239 40 0 CEABRO C[NH+](C)CCCNC(=O)CCc1ccc(Cl)cc1 ZINC000054455658 362535137 /nfs/dbraw/zinc/53/51/37/362535137.db2.gz KPBNBGAUTKBPQC-UHFFFAOYSA-N 1 0 268.788 2.341 40 0 CEABRO O=C(Cc1cccs1)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000062672932 362720675 /nfs/dbraw/zinc/72/06/75/362720675.db2.gz BXKGXXCJSQXWBM-HNNXBMFYSA-N 1 0 286.400 2.464 40 0 CEABRO [NH3+]C1(Cc2ccccc2Br)CCOCC1 ZINC000063077189 362749359 /nfs/dbraw/zinc/74/93/59/362749359.db2.gz FUMGTHFNDXICBW-UHFFFAOYSA-N 1 0 270.170 2.500 40 0 CEABRO C[C@@H]1CN(C(=O)c2cc(Cl)cc(Cl)c2)CC[NH2+]1 ZINC000067799888 362924718 /nfs/dbraw/zinc/92/47/18/362924718.db2.gz WIZBBCZMOBEZOX-MRVPVSSYSA-N 1 0 273.163 2.427 40 0 CEABRO Cc1ccc(C[N@@H+]2CC[C@@]3(C[C@H]3C(=O)NCC3CC3)C2)o1 ZINC000107235834 186163920 /nfs/dbraw/zinc/16/39/20/186163920.db2.gz IIXRSHWVXRQTTH-DOTOQJQBSA-N 1 0 288.391 2.326 40 0 CEABRO C[NH+]1CCC(C(=O)NCc2ccccc2Cl)CC1 ZINC000074707326 363373887 /nfs/dbraw/zinc/37/38/87/363373887.db2.gz UTMFYCMCNAIEHC-UHFFFAOYSA-N 1 0 266.772 2.298 40 0 CEABRO COc1ccc(NC(=O)CC2CC[NH+](C)CC2)cc1OC ZINC000074921024 363419027 /nfs/dbraw/zinc/41/90/27/363419027.db2.gz JLFXNGIYYUYHDR-UHFFFAOYSA-N 1 0 292.379 2.374 40 0 CEABRO CCOC(=O)C(C[NH3+])(c1ccccc1)c1ccccc1 ZINC000001593551 538735773 /nfs/dbraw/zinc/73/57/73/538735773.db2.gz XBOGKZWISGRNHD-UHFFFAOYSA-N 1 0 269.344 2.495 40 0 CEABRO COc1ccc([C@@H](O)[C@H]([NH2+]CCO)c2ccccc2)cc1 ZINC000001594035 538736799 /nfs/dbraw/zinc/73/67/99/538736799.db2.gz TZIFCSOXBAJUGV-IAGOWNOFSA-N 1 0 287.359 2.052 40 0 CEABRO [NH3+]CCOC[C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000079390662 363594181 /nfs/dbraw/zinc/59/41/81/363594181.db2.gz ONOFHLGHLFYWEF-HNNXBMFYSA-N 1 0 292.379 2.011 40 0 CEABRO OCC[N@@H+]1CCC[C@H]1CN(Cc1ccccc1)C1CC1 ZINC000079414352 363596899 /nfs/dbraw/zinc/59/68/99/363596899.db2.gz ZXMYKCCVNPAYGO-KRWDZBQOSA-N 1 0 274.408 2.108 40 0 CEABRO CC(C)[N@@H+](Cc1ccccc1)C[C@@H]1CCN(CCO)C1 ZINC000079414271 363597616 /nfs/dbraw/zinc/59/76/16/363597616.db2.gz YXJXMEXEEPTZLI-QGZVFWFLSA-N 1 0 276.424 2.211 40 0 CEABRO CC[N@@H+](Cc1ccccc1)CC1CC[NH+](CC(=O)[O-])CC1 ZINC000079416119 363599139 /nfs/dbraw/zinc/59/91/39/363599139.db2.gz GJKYXNNMKRXIDL-UHFFFAOYSA-N 1 0 290.407 2.305 40 0 CEABRO OCC[NH2+][C@@H](Cc1ccccc1)c1ccc2c(c1)OCO2 ZINC000001666273 361214843 /nfs/dbraw/zinc/21/48/43/361214843.db2.gz XZWQYZONYJHSGY-HNNXBMFYSA-N 1 0 285.343 2.281 40 0 CEABRO CCOc1cc(N)ccc1C(=O)NCCC[NH+](CC)CC ZINC000001733843 361220777 /nfs/dbraw/zinc/22/07/77/361220777.db2.gz KZJOHZIYSLTARE-UHFFFAOYSA-N 1 0 293.411 2.129 40 0 CEABRO CC(=O)c1ccccc1OC[C@@H](O)C[NH2+]C(C)(C)C ZINC000002701395 361244694 /nfs/dbraw/zinc/24/46/94/361244694.db2.gz USXOBRWSGCAAIU-LBPRGKRZSA-N 1 0 265.353 2.017 40 0 CEABRO Cc1c[nH]nc1[C@H]1CCC[N@@H+](Cc2cnn(C)c2C)C1 ZINC000011789304 361364957 /nfs/dbraw/zinc/36/49/57/361364957.db2.gz HNFWVPHAYZVSIW-ZDUSSCGKSA-N 1 0 273.384 2.140 40 0 CEABRO CCOC(=O)Nc1nc2ccccc2n1C[NH+]1CCCC1 ZINC000013212267 361423464 /nfs/dbraw/zinc/42/34/64/361423464.db2.gz OYEFNNGTOUVGTO-UHFFFAOYSA-N 1 0 288.351 2.080 40 0 CEABRO [NH3+][C@@H](Cc1cc(=O)[nH]c(C2CCC2)n1)c1ccccc1 ZINC000019369295 361528129 /nfs/dbraw/zinc/52/81/29/361528129.db2.gz UBRNPMWDPHURMX-AWEZNQCLSA-N 1 0 269.348 2.280 40 0 CEABRO COc1ccc(OC)c(CN2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c1 ZINC000019575738 361543664 /nfs/dbraw/zinc/54/36/64/361543664.db2.gz VSJROCKNJFVGFJ-DZGCQCFKSA-N 1 0 290.407 2.372 40 0 CEABRO CN(C)c1cc(C2CC[NH2+]CC2)nc(-c2cccnc2)n1 ZINC000019584485 361545694 /nfs/dbraw/zinc/54/56/94/361545694.db2.gz VTATXDIYHUHVGA-UHFFFAOYSA-N 1 0 283.379 2.072 40 0 CEABRO C(C1CCCCC1)[N@@H+]1CCC[C@@H]1c1nnc2n1CCNC2 ZINC000019705504 361549254 /nfs/dbraw/zinc/54/92/54/361549254.db2.gz ZCCXUVULJFCERL-CQSZACIVSA-N 1 0 289.427 2.099 40 0 CEABRO CCn1cc(NC(=O)C2C[NH+](C3CCCCC3)C2)cn1 ZINC000019747207 361550706 /nfs/dbraw/zinc/55/07/06/361550706.db2.gz KEIWZFUUBKCACE-UHFFFAOYSA-N 1 0 276.384 2.106 40 0 CEABRO CC(C)(C)OC(=O)NC[C@@H]([NH3+])c1ccc(F)cc1F ZINC000019796213 361554764 /nfs/dbraw/zinc/55/47/64/361554764.db2.gz CULXFYUFHJLKAM-LLVKDONJSA-N 1 0 272.295 2.489 40 0 CEABRO CC[C@H](CO)[NH2+]C[C@@H](O)COc1ccc(C(C)C)c(C)c1 ZINC000026781330 361644331 /nfs/dbraw/zinc/64/43/31/361644331.db2.gz ROJPOKKJRSSHPI-HUUCEWRRSA-N 1 0 295.423 2.219 40 0 CEABRO O=C(Cc1cccs1)N1CC[C@H]2[C@H]1CC[N@@H+]2CC1CC1 ZINC000096184417 364406767 /nfs/dbraw/zinc/40/67/67/364406767.db2.gz CFMYHMDSOOJAAZ-LSDHHAIUSA-N 1 0 290.432 2.376 40 0 CEABRO c1cc(C[N@H+]2C[C@H]3CN(c4ncccn4)C[C@H]3C2)cs1 ZINC000096053985 364399455 /nfs/dbraw/zinc/39/94/55/364399455.db2.gz NODGTYBVIOHWOS-OKILXGFUSA-N 1 0 286.404 2.106 40 0 CEABRO COC[C@@H]1CC2(C[N@@H+]1C)CCN(C(=O)C1=CCCC1)CC2 ZINC000096207526 364410985 /nfs/dbraw/zinc/41/09/85/364410985.db2.gz MYKBTKISHQXEPL-HNNXBMFYSA-N 1 0 292.423 2.056 40 0 CEABRO CC(C)[N@H+](C)[C@@H]1CCN(CC2CC2)[C@H]1Cc1cnn(C)c1 ZINC000096200944 364411464 /nfs/dbraw/zinc/41/14/64/364411464.db2.gz YROJZRUVMMEVTI-SJORKVTESA-N 1 0 290.455 2.156 40 0 CEABRO O=C1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2ccco2)N1CC1CC1 ZINC000096316710 364419972 /nfs/dbraw/zinc/41/99/72/364419972.db2.gz SOZKAXVKIOGMNC-HUUCEWRRSA-N 1 0 274.364 2.255 40 0 CEABRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)Cc3ccccc3)C2)C1 ZINC000096268565 364420255 /nfs/dbraw/zinc/42/02/55/364420255.db2.gz UJMUZCMSWUNXBD-QGZVFWFLSA-N 1 0 272.392 2.173 40 0 CEABRO CCN(CC)CC[NH2+][C@H](C)C(=O)N1[C@H](C)CCC[C@H]1C ZINC000245229679 370806872 /nfs/dbraw/zinc/80/68/72/370806872.db2.gz CXSVMOSHBAQULZ-RBSFLKMASA-N 1 0 283.460 2.096 40 0 CEABRO C[C@H](c1ccccc1)[N@@H+]1CCC[C@]2(CN(C)C2=O)C1 ZINC000585099436 367177185 /nfs/dbraw/zinc/17/71/85/367177185.db2.gz JIYHEDORYCDKBB-CJNGLKHVSA-N 1 0 258.365 2.302 40 0 CEABRO CC(C)Oc1ccc(CNC(=O)C2CC[NH+](C)CC2)cc1 ZINC000174575962 368043394 /nfs/dbraw/zinc/04/33/94/368043394.db2.gz CPLURZLSXJUAQJ-UHFFFAOYSA-N 1 0 290.407 2.432 40 0 CEABRO Cn1cc(Cc2cccc(Br)c2)[nH+]c1N ZINC000199550811 370149094 /nfs/dbraw/zinc/14/90/94/370149094.db2.gz VEWIADOXTAZWTR-UHFFFAOYSA-N 1 0 266.142 2.356 40 0 CEABRO Cc1c[nH]c([C@H]2CCCN(c3ccnc(C)n3)C2)n1 ZINC000257262615 371610876 /nfs/dbraw/zinc/61/08/76/371610876.db2.gz LMCKNAUMFGYMNF-LBPRGKRZSA-N 1 0 257.341 2.201 40 0 CEABRO c1nn2cccnc2c1CN1CCCC[C@@H]1c1ccncn1 ZINC000257222193 371611513 /nfs/dbraw/zinc/61/15/13/371611513.db2.gz DSIJGROBWCQBPN-OAHLLOKOSA-N 1 0 294.362 2.247 40 0 CEABRO FC(F)Cn1cc(C[NH2+]CCc2ccccc2)cn1 ZINC000256050147 190003113 /nfs/dbraw/zinc/00/31/13/190003113.db2.gz CXTFENUVWMFTCM-UHFFFAOYSA-N 1 0 265.307 2.481 40 0 CEABRO CCn1cc(C[NH2+]Cc2ccnn2CC(C)C)c(C)n1 ZINC000256051280 190003814 /nfs/dbraw/zinc/00/38/14/190003814.db2.gz INDFUWNMMFISGX-UHFFFAOYSA-N 1 0 275.400 2.354 40 0 CEABRO C[N@@H+]1CC[C@H](Cc2cccc(Br)n2)C1 ZINC000257197571 190009855 /nfs/dbraw/zinc/00/98/55/190009855.db2.gz CYMYINAIDURXHI-SECBINFHSA-N 1 0 255.159 2.338 40 0 CEABRO Cc1cncc(C2CC[NH+](Cc3cnc(C)nc3)CC2)n1 ZINC000257202350 190011029 /nfs/dbraw/zinc/01/10/29/190011029.db2.gz ALJPEVGQMDDWQS-UHFFFAOYSA-N 1 0 283.379 2.263 40 0 CEABRO CN1CCC([N@@H+]2CCC[C@H](c3ccc4c[nH]nc4n3)C2)CC1 ZINC000257210088 190012248 /nfs/dbraw/zinc/01/22/48/190012248.db2.gz BTCNHNCGMFUNGB-AWEZNQCLSA-N 1 0 299.422 2.232 40 0 CEABRO c1ccc(Nc2nccc(C3CC[NH2+]CC3)n2)nc1 ZINC000257216833 190013718 /nfs/dbraw/zinc/01/37/18/190013718.db2.gz CWGYDUXUFJZYGY-UHFFFAOYSA-N 1 0 255.325 2.082 40 0 CEABRO Cc1cncc([C@H]2CCC[N@H+](CC3CCOCC3)C2)n1 ZINC000257255409 190020513 /nfs/dbraw/zinc/02/05/13/190020513.db2.gz KHIXFXBGUXBKAV-HNNXBMFYSA-N 1 0 275.396 2.391 40 0 CEABRO O=C(Cc1ccsc1)N1CCC[C@H]2[NH2+]CCCC[C@@H]21 ZINC000257255418 190020577 /nfs/dbraw/zinc/02/05/77/190020577.db2.gz KHKISMCFQXSGKQ-KGLIPLIRSA-N 1 0 278.421 2.424 40 0 CEABRO Cc1cn(C)c([C@@H]2CCC[N@H+](Cc3cnc(C)nc3)C2)n1 ZINC000257238172 190017604 /nfs/dbraw/zinc/01/76/04/190017604.db2.gz HJWJDRNPCMHCGK-OAHLLOKOSA-N 1 0 285.395 2.207 40 0 CEABRO CC1(c2cc[nH]n2)CC[NH+](Cc2cccnc2)CC1 ZINC000257236765 190017692 /nfs/dbraw/zinc/01/76/92/190017692.db2.gz HDRZWABZYPPKGN-UHFFFAOYSA-N 1 0 256.353 2.358 40 0 CEABRO OCCOc1cccc(C[N@@H+]2CCC[C@@H]2c2ccncn2)c1 ZINC000257244494 190019388 /nfs/dbraw/zinc/01/93/88/190019388.db2.gz ILOQIFRFOINAMS-QGZVFWFLSA-N 1 0 299.374 2.185 40 0 CEABRO OCCOc1cccc(C[N@@H+]2CCC[C@H]2c2ccncn2)c1 ZINC000257244493 190019514 /nfs/dbraw/zinc/01/95/14/190019514.db2.gz ILOQIFRFOINAMS-KRWDZBQOSA-N 1 0 299.374 2.185 40 0 CEABRO CC(=O)N1CCC(c2cc(N(C)C)cc(C)[nH+]2)CC1 ZINC000257256108 190021323 /nfs/dbraw/zinc/02/13/23/190021323.db2.gz KKDBUZOUWHKZIV-UHFFFAOYSA-N 1 0 261.369 2.182 40 0 CEABRO c1ccc(C[N@@H+]2CCC3(CC(Nc4ccncn4)C3)C2)nc1 ZINC000257258453 190021414 /nfs/dbraw/zinc/02/14/14/190021414.db2.gz KTXWOOPGTWAURI-UHFFFAOYSA-N 1 0 295.390 2.338 40 0 CEABRO CC(C)[N@@H+]1CCC[C@@H](c2cncc(-c3ccnn3C)n2)C1 ZINC000257290679 190027790 /nfs/dbraw/zinc/02/77/90/190027790.db2.gz QDXHBZDXLAVSIZ-CYBMUJFWSA-N 1 0 285.395 2.465 40 0 CEABRO Cc1cc(-c2cc(C)nc(CC3CC[NH2+]CC3)n2)n[nH]1 ZINC000257299798 190029763 /nfs/dbraw/zinc/02/97/63/190029763.db2.gz RRPZDUYDLYKABJ-UHFFFAOYSA-N 1 0 271.368 2.026 40 0 CEABRO CNC(=O)C[N@@H+]1CCC[C@@H](Cc2ccnc3ccccc23)C1 ZINC000257301959 190030206 /nfs/dbraw/zinc/03/02/06/190030206.db2.gz SATMQXTYDLJWBH-AWEZNQCLSA-N 1 0 297.402 2.235 40 0 CEABRO Cc1ncc(CN2CC[N@@H+](C)[C@H](c3ccccc3)C2)cn1 ZINC000257305981 190030947 /nfs/dbraw/zinc/03/09/47/190030947.db2.gz SSIQLVWUAHLEAZ-KRWDZBQOSA-N 1 0 282.391 2.274 40 0 CEABRO CCn1nccc1-c1ncccc1C[C@@H]1CC[NH2+]C1 ZINC000257315834 190032709 /nfs/dbraw/zinc/03/27/09/190032709.db2.gz VCYJSAWYWWMRCE-LBPRGKRZSA-N 1 0 256.353 2.117 40 0 CEABRO Cc1cc(-c2cc(C[C@H]3CCC[NH2+]C3)ccn2)n[nH]1 ZINC000257315548 190032798 /nfs/dbraw/zinc/03/27/98/190032798.db2.gz VBXDSXRMTKQLLN-CYBMUJFWSA-N 1 0 256.353 2.322 40 0 CEABRO Cc1nc(I)ccc1[C@@H](C)[NH3+] ZINC000072219683 256707497 /nfs/dbraw/zinc/70/74/97/256707497.db2.gz SREWUOVURSEREJ-RXMQYKEDSA-N 1 0 262.094 2.014 40 0 CEABRO [NH3+]CCc1nc(C2=Cc3cc(Cl)ccc3OC2)no1 ZINC000062716602 394569648 /nfs/dbraw/zinc/56/96/48/394569648.db2.gz GNKHJHLYGCWMGZ-UHFFFAOYSA-N 1 0 277.711 2.157 40 0 CEABRO CCCNc1ncc(CNCCC[NH+](CC)CC)cn1 ZINC000062718469 394571186 /nfs/dbraw/zinc/57/11/86/394571186.db2.gz UDFSWYPELFJQFP-UHFFFAOYSA-N 1 0 279.432 2.120 40 0 CEABRO O=C(OCc1ccccc1)N1CCC2(CC[NH2+]C2)CC1 ZINC000091690544 394657743 /nfs/dbraw/zinc/65/77/43/394657743.db2.gz PGQNBTSBRFXDOK-UHFFFAOYSA-N 1 0 274.364 2.399 40 0 CEABRO CC(C)[N@@H+]1CCN2C(=O)N(C3CCCCC3)C[C@H]2C1 ZINC000085436207 394642891 /nfs/dbraw/zinc/64/28/91/394642891.db2.gz HEFARGMCRBKVFE-CQSZACIVSA-N 1 0 265.401 2.149 40 0 biogenic,in-vitro CEABRO COc1ccc(NCc2n[nH]c([C@@H]([NH3+])C(C)C)n2)cc1 ZINC000095534734 394673619 /nfs/dbraw/zinc/67/36/19/394673619.db2.gz GPQMGHDYNNIQFZ-ZDUSSCGKSA-N 1 0 275.356 2.081 40 0 CEABRO Cc1cccc(C[N@@H+]2CC[C@]3(CCN3c3ncccn3)C2)n1 ZINC000096076133 394675347 /nfs/dbraw/zinc/67/53/47/394675347.db2.gz VSMXCCSJYCVVIY-KRWDZBQOSA-N 1 0 295.390 2.035 40 0 CEABRO c1csc(CN2C[C@H]3c4ccccc4C[NH2+][C@@H]3C2)n1 ZINC000096157356 394676791 /nfs/dbraw/zinc/67/67/91/394676791.db2.gz RNEJGRIHIMJAEU-UONOGXRCSA-N 1 0 271.389 2.214 40 0 CEABRO CCS(=O)(=O)[C@H](C)[C@H]([NH3+])c1cccc(Cl)c1 ZINC000096524816 394696658 /nfs/dbraw/zinc/69/66/58/394696658.db2.gz VVECBZDCBJYVGF-KCJUWKMLSA-N 1 0 261.774 2.163 40 0 CEABRO c1ccc(-c2ccc3nnc([C@@H]4CCC[NH2+]4)n3n2)cc1 ZINC000096530147 394698501 /nfs/dbraw/zinc/69/85/01/394698501.db2.gz YHVURRGQNGVPRT-ZDUSSCGKSA-N 1 0 265.320 2.216 40 0 CEABRO Cc1cc(OC[C@]2(O)CCC[NH2+]C2)cc(C)c1Cl ZINC000405155967 395287966 /nfs/dbraw/zinc/28/79/66/395287966.db2.gz KRPGFAIQLSRXGA-AWEZNQCLSA-N 1 0 269.772 2.450 40 0 CEABRO CC(C)[NH2+]C[C@H](O)COc1cccc2c1C=CCC2 ZINC000005760477 170137897 /nfs/dbraw/zinc/13/78/97/170137897.db2.gz JKLYFQUDQSQWRB-AWEZNQCLSA-N 1 0 261.365 2.384 40 0 in-man CEABRO COc1ccc(C[C@H]([NH3+])C(=O)Nc2ccccc2)cc1 ZINC000006411250 170199011 /nfs/dbraw/zinc/19/90/11/170199011.db2.gz SSYPBMLUAFBZQI-HNNXBMFYSA-N 1 0 270.332 2.204 40 0 CEABRO COc1cccc(C=O)c1OCCC[NH+]1CCCC1 ZINC000008731481 170351091 /nfs/dbraw/zinc/35/10/91/170351091.db2.gz DFLATNFXHIJYNT-UHFFFAOYSA-N 1 0 263.337 2.372 40 0 CEABRO C[C@H](O)C[NH2+]CCNCc1ccc(Cl)c(Cl)c1 ZINC000022074875 171352290 /nfs/dbraw/zinc/35/22/90/171352290.db2.gz MENDSAQVRNEADY-VIFPVBQESA-N 1 0 277.195 2.053 40 0 CEABRO CC(C)c1ccc(S(=O)(=O)NC[C@H](C)C[NH+](C)C)cc1 ZINC000022259193 171382377 /nfs/dbraw/zinc/38/23/77/171382377.db2.gz UDRBTYGCHVIFQY-ZDUSSCGKSA-N 1 0 298.452 2.286 40 0 CEABRO C[C@H]1CN([C@@H](C[NH3+])c2cc(F)ccc2F)C[C@H](C)O1 ZINC000037233459 173052506 /nfs/dbraw/zinc/05/25/06/173052506.db2.gz AOEFDDJIKRFNLE-BHDSKKPTSA-N 1 0 270.323 2.074 40 0 CEABRO C[C@@H]1C[NH2+]CCN1Cc1ccc(OC(F)(F)F)cc1 ZINC000054374299 175559562 /nfs/dbraw/zinc/55/95/62/175559562.db2.gz WSXVCISHSZPFRD-SNVBAGLBSA-N 1 0 274.286 2.379 40 0 CEABRO CC(C)(C)OC(=O)NC1CC[NH+](CC2CCOCC2)CC1 ZINC000067801133 175792467 /nfs/dbraw/zinc/79/24/67/175792467.db2.gz PHOFRHMPZBSNCA-UHFFFAOYSA-N 1 0 298.427 2.402 40 0 CEABRO CC[C@@H]1[N@H+](CC2CCOCC2)CCC[C@]12CCC(=O)N2C ZINC000096052433 287312771 /nfs/dbraw/zinc/31/27/71/287312771.db2.gz HQABLBGESPKEFI-RDJZCZTQSA-N 1 0 294.439 2.278 40 0 CEABRO [NH3+]Cc1cn(Cc2ccc(Br)cc2)cn1 ZINC000071598290 176221939 /nfs/dbraw/zinc/22/19/39/176221939.db2.gz ZDAXZDJLSQSGQL-UHFFFAOYSA-N 1 0 266.142 2.153 40 0 CEABRO NC(=O)c1ccc(-c2cccc([C@@H]3CCC[NH2+]C3)n2)cc1 ZINC000072348387 176373352 /nfs/dbraw/zinc/37/33/52/176373352.db2.gz PKLRZDDQOUBNBH-CQSZACIVSA-N 1 0 281.359 2.315 40 0 CEABRO COCC[N@@H+]1CCC[C@H](c2cccc(-n3ccnc3)n2)C1 ZINC000072355536 176374869 /nfs/dbraw/zinc/37/48/69/176374869.db2.gz FEMVDCIXKLACHN-AWEZNQCLSA-N 1 0 286.379 2.093 40 0 CEABRO O=C(NC1CCCCC1)c1cncc(C2CC[NH2+]CC2)n1 ZINC000072365565 176380629 /nfs/dbraw/zinc/38/06/29/176380629.db2.gz ZOGFTQUDTHOHQU-UHFFFAOYSA-N 1 0 288.395 2.006 40 0 CEABRO O=C(CCc1cccc(C2CC[NH2+]CC2)n1)N1CCCC1 ZINC000072366412 176381122 /nfs/dbraw/zinc/38/11/22/176381122.db2.gz UVJBVQWNQLLQFI-UHFFFAOYSA-N 1 0 287.407 2.104 40 0 CEABRO Cn1cncc1C1CC[NH+](CC2(O)CCCCC2)CC1 ZINC000072366727 176381815 /nfs/dbraw/zinc/38/18/15/176381815.db2.gz ZQUGZQXTIMIWOC-UHFFFAOYSA-N 1 0 277.412 2.295 40 0 CEABRO Cc1cccc(Nc2cncc([C@H]3CCC[NH2+]3)n2)n1 ZINC000072376517 176385392 /nfs/dbraw/zinc/38/53/92/176385392.db2.gz MKDNKQCOWLSODP-LLVKDONJSA-N 1 0 255.325 2.348 40 0 CEABRO C[N@@H+]1CCC[C@H](c2ccc(NCC3(C)COC3)cn2)C1 ZINC000072386984 176392615 /nfs/dbraw/zinc/39/26/15/176392615.db2.gz FOWGCEQSLDVALK-ZDUSSCGKSA-N 1 0 275.396 2.339 40 0 CEABRO C[N@@H+]1CCC[C@H]1c1cccc(NCC2(C)COC2)n1 ZINC000072386981 176392976 /nfs/dbraw/zinc/39/29/76/176392976.db2.gz FCSPHGXXPUJFSD-ZDUSSCGKSA-N 1 0 261.369 2.297 40 0 CEABRO CC(C)N(Cc1ccccc1Br)C(=O)C[NH3+] ZINC000076773331 177087344 /nfs/dbraw/zinc/08/73/44/177087344.db2.gz GTFLAHFWMIXQAW-UHFFFAOYSA-N 1 0 285.185 2.145 40 0 CEABRO CC(C)N(C(=O)OCc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000079437819 177490955 /nfs/dbraw/zinc/49/09/55/177490955.db2.gz KYSKSUYKGAKTHZ-CQSZACIVSA-N 1 0 262.353 2.396 40 0 CEABRO CC1=CCC[C@@H](C)[C@@H]1C[N@@H+](C)[C@@H](C)CS(C)(=O)=O ZINC000191070832 262188725 /nfs/dbraw/zinc/18/87/25/262188725.db2.gz NPIUSJCKCVLBNT-HZSPNIEDSA-N 1 0 273.442 2.344 40 0 CEABRO C[NH+]1CCN(Cc2c3cccnc3[nH]c2C(F)(F)F)CC1 ZINC000019590054 273897981 /nfs/dbraw/zinc/89/79/81/273897981.db2.gz SQRPITOCVRWIGD-UHFFFAOYSA-N 1 0 298.312 2.329 40 0 CEABRO COCCn1cnc2c1C1(CC[NH2+]CC1)Oc1ccccc1-2 ZINC000306137378 274041262 /nfs/dbraw/zinc/04/12/62/274041262.db2.gz QUVRMZADGBUKBP-UHFFFAOYSA-N 1 0 299.374 2.168 40 0 CEABRO C[NH+]1CCC(NC(=O)c2cc3ccccc3o2)CC1 ZINC000048608966 277030599 /nfs/dbraw/zinc/03/05/99/277030599.db2.gz FJFJBPLHSMJBNW-UHFFFAOYSA-N 1 0 258.321 2.257 40 0 CEABRO COc1cc2c(cc1OC)C(=O)[C@H](C[NH+](C)C)CC2 ZINC000005677748 277393437 /nfs/dbraw/zinc/39/34/37/277393437.db2.gz JGSXOHUJTPAGBV-NSHDSACASA-N 1 0 263.337 2.011 40 0 CEABRO C[C@@H]1C[NH2+]CCN1Cc1ccccc1C(F)(F)F ZINC000054373596 277933159 /nfs/dbraw/zinc/93/31/59/277933159.db2.gz BXZRVCWDFGFMEH-SNVBAGLBSA-N 1 0 258.287 2.499 40 0 CEABRO CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000095836184 278394489 /nfs/dbraw/zinc/39/44/89/278394489.db2.gz OCTLOCGNRWISQP-NEPJUHHUSA-N 1 0 254.374 2.243 40 0 CEABRO CNC(=O)C(C)(C)C[NH2+][C@@H]1C[C@H]2C[C@@H]1[C@H]1CCC[C@H]21 ZINC000096492704 290345990 /nfs/dbraw/zinc/34/59/90/290345990.db2.gz YMQKHTSKUCONSD-RKQHYHRCSA-N 1 0 264.413 2.173 40 0 CEABRO [NH3+][C@H](Cc1ccccc1)c1nc(-c2ccccc2O)n[nH]1 ZINC000095534829 185008222 /nfs/dbraw/zinc/00/82/22/185008222.db2.gz OSNRZOBTEIOBFB-CYBMUJFWSA-N 1 0 280.331 2.420 40 0 CEABRO COC[C@]12CCCO[C@@H]1CC[N@H+](Cc1cccc(C)n1)C2 ZINC000096038996 185069104 /nfs/dbraw/zinc/06/91/04/185069104.db2.gz HHSVDHNVSJBKDN-IAGOWNOFSA-N 1 0 290.407 2.408 40 0 CEABRO COc1ccc(C[N@@H+]2CCC[C@@]3(CCC(=O)N3)CC2)cc1 ZINC000096047454 185072309 /nfs/dbraw/zinc/07/23/09/185072309.db2.gz FOPGNETWZQZDLY-QGZVFWFLSA-N 1 0 288.391 2.330 40 0 CEABRO c1cn([C@@H]2CO[C@]3(C2)CCC[N@@H+](Cc2ccccn2)C3)cn1 ZINC000096048562 185072411 /nfs/dbraw/zinc/07/24/11/185072411.db2.gz DCZVGCNCDNMRRP-IRXDYDNUSA-N 1 0 298.390 2.274 40 0 CEABRO c1cncc(CN2C[C@@H]3C[N@@H+](Cc4ccncc4)C[C@@H]3C2)c1 ZINC000096053743 185074274 /nfs/dbraw/zinc/07/42/74/185074274.db2.gz GEEIIYLNXYZEPQ-HDICACEKSA-N 1 0 294.402 2.040 40 0 CEABRO c1coc(C[NH+]2C[C@@H]3CN(Cc4ccccn4)C[C@H]3C2)c1 ZINC000096053777 185074818 /nfs/dbraw/zinc/07/48/18/185074818.db2.gz JEGHGWHLFFTGSN-GJZGRUSLSA-N 1 0 283.375 2.238 40 0 CEABRO Fc1cccc(O[C@H]2C[C@H]3C[N@H+](CC4CC4)CCN3C2)c1 ZINC000096055158 185076748 /nfs/dbraw/zinc/07/67/48/185076748.db2.gz NJDAHRFTRCEKOQ-RDJZCZTQSA-N 1 0 290.382 2.373 40 0 CEABRO C(O[C@@H]1CC[C@H]2[C@H]1OCC[N@@H+]2CC1CCOCC1)C1CC1 ZINC000096057899 185079301 /nfs/dbraw/zinc/07/93/01/185079301.db2.gz HANHVUDOZONGRF-GVDBMIGSSA-N 1 0 295.423 2.071 40 0 CEABRO O=C1C[C@H]2[C@@H](CC[N@@H+]2Cc2ccoc2)N1Cc1cccnc1 ZINC000096063867 185083962 /nfs/dbraw/zinc/08/39/62/185083962.db2.gz RRXXKPVNLNWYEA-CVEARBPZSA-N 1 0 297.358 2.050 40 0 CEABRO CO[C@H]1CO[C@]2(CC[N@H+](Cc3ccccc3F)C2)C1 ZINC000096072176 185088117 /nfs/dbraw/zinc/08/81/17/185088117.db2.gz CRADNAIOGBRIIJ-UKRRQHHQSA-N 1 0 265.328 2.206 40 0 CEABRO CC(C)(C)C[NH+]1C[C@H]2CN(C(=O)c3cscn3)C[C@@H]2C1 ZINC000096080983 185091723 /nfs/dbraw/zinc/09/17/23/185091723.db2.gz MTJZVUDMNFVSCO-RYUDHWBXSA-N 1 0 293.436 2.193 40 0 CEABRO COCC[N@@H+]1CC[C@H]2CN(Cc3ccc(C)o3)CC[C@H]21 ZINC000096099920 185098049 /nfs/dbraw/zinc/09/80/49/185098049.db2.gz RWDMXRINAFFJNY-GOEBONIOSA-N 1 0 278.396 2.131 40 0 CEABRO Cn1cc(C[N@@H+]2C[C@H]3CCC[C@@]3(COCC3CC3)C2)cn1 ZINC000096109181 185099155 /nfs/dbraw/zinc/09/91/55/185099155.db2.gz NXBNPQXVENHAAY-SJORKVTESA-N 1 0 289.423 2.449 40 0 CEABRO Cc1ccc(CN2C[C@@H]3COC[C@]3(C[NH+](C)C)C2)s1 ZINC000096108240 185100387 /nfs/dbraw/zinc/10/03/87/185100387.db2.gz DNUKXWNPNLBKMY-HIFRSBDPSA-N 1 0 280.437 2.067 40 0 CEABRO CCN(Cc1cccc(F)c1)C(=O)[C@@H]([NH3+])C(C)C ZINC000037800997 361942683 /nfs/dbraw/zinc/94/26/83/361942683.db2.gz QKQDBBUNFJYNIC-ZDUSSCGKSA-N 1 0 252.333 2.158 40 0 CEABRO CC(C)[N@@H+]1CC[C@H](c2nnc(-c3ccncc3)o2)C1 ZINC000049169620 362342633 /nfs/dbraw/zinc/34/26/33/362342633.db2.gz KQQNQESJBKTNDP-LBPRGKRZSA-N 1 0 258.325 2.329 40 0 biogenic,in-vitro CEABRO Clc1ccnc(-c2n[nH]c3c2[C@@H]2CC[C@H](C3)[NH2+]2)c1 ZINC000096510299 344240318 /nfs/dbraw/zinc/24/03/18/344240318.db2.gz NPLOFSLBADYZRP-BDAKNGLRSA-N 1 0 260.728 2.474 40 0 CEABRO Cc1cc(C)nc(N2CCC[C@@H]([NH+]3CCCC3)C2)n1 ZINC000141519859 344401353 /nfs/dbraw/zinc/40/13/53/344401353.db2.gz LZSMXSCJAVHWKY-CQSZACIVSA-N 1 0 260.385 2.158 40 0 CEABRO Cc1cc(OCC2(O)CC[NH2+]CC2)cc(C)c1Cl ZINC000156582177 344443017 /nfs/dbraw/zinc/44/30/17/344443017.db2.gz WJCWOOKASFFILB-UHFFFAOYSA-N 1 0 269.772 2.450 40 0 CEABRO FC(F)(F)c1cccc(OC[C@H]2CCC[NH2+]C2)n1 ZINC000051883250 362443348 /nfs/dbraw/zinc/44/33/48/362443348.db2.gz WXOAGZXXKMBPKL-VIFPVBQESA-N 1 0 260.259 2.479 40 0 CEABRO c1cncc([C@H](C2CCSCC2)N2CC[NH2+]CC2)c1 ZINC000409437613 344889870 /nfs/dbraw/zinc/88/98/70/344889870.db2.gz AJPMVEIHIDQACW-HNNXBMFYSA-N 1 0 277.437 2.171 40 0 CEABRO CC(C)[N@@H+]1CCC[C@@H](c2cncc(-c3cn[nH]c3)n2)C1 ZINC000585177419 345009056 /nfs/dbraw/zinc/00/90/56/345009056.db2.gz HAXGOSBMMNFPLA-GFCCVEGCSA-N 1 0 271.368 2.455 40 0 CEABRO CC(C)n1nccc1-c1cc(CC2CC[NH2+]CC2)ncn1 ZINC000585180156 345009094 /nfs/dbraw/zinc/00/90/94/345009094.db2.gz VOEXFFRQXWDIKN-UHFFFAOYSA-N 1 0 285.395 2.463 40 0 CEABRO CNc1cc([C@H]2CCC[N@H+](Cc3ccccn3)C2)ccn1 ZINC000585181503 345009225 /nfs/dbraw/zinc/00/92/25/345009225.db2.gz UBORTOUMFMUNRX-HNNXBMFYSA-N 1 0 282.391 2.320 40 0 CEABRO Cc1n[nH]cc1C[N@@H+]1CC[C@H](Cc2ccccc2)[C@@H](O)C1 ZINC000585278838 345010055 /nfs/dbraw/zinc/01/00/55/345010055.db2.gz HJDNJVMBIFAZFY-WBVHZDCISA-N 1 0 285.391 2.144 40 0 CEABRO CC[N@@H+]1CCN[C@@H](c2ccc(Br)cc2)C1 ZINC000056894791 362564703 /nfs/dbraw/zinc/56/47/03/362564703.db2.gz XEEGRBYLTRRLJW-GFCCVEGCSA-N 1 0 269.186 2.415 40 0 CEABRO O=C1CC[C@@]2(c3ccccc3)[NH2+][C@H]3CCCC[C@H]3N12 ZINC000059605610 362651317 /nfs/dbraw/zinc/65/13/17/362651317.db2.gz QSDUYCSKFAKVPE-SQWLQELKSA-N 1 0 256.349 2.376 40 0 CEABRO C[C@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2)CC[NH2+]1 ZINC000062666104 362721312 /nfs/dbraw/zinc/72/13/12/362721312.db2.gz IYZWWZKVKBRLOC-VIFPVBQESA-N 1 0 272.270 2.139 40 0 CEABRO [NH3+]Cc1cc(F)c(OCC2CCOCC2)c(F)c1 ZINC000085652878 179110448 /nfs/dbraw/zinc/11/04/48/179110448.db2.gz AKWSRISCSCBYMR-UHFFFAOYSA-N 1 0 257.280 2.229 40 0 CEABRO C[C@H]1CN(C(=O)c2ccc3ccccc3c2)CC[NH2+]1 ZINC000067799466 362924256 /nfs/dbraw/zinc/92/42/56/362924256.db2.gz GDBYULGHIAWZIX-LBPRGKRZSA-N 1 0 254.333 2.274 40 0 CEABRO CC(C)(C)OC(=O)N[C@H]1CC[N@H+](CC2CCOCC2)C1 ZINC000067801307 362925899 /nfs/dbraw/zinc/92/58/99/362925899.db2.gz BCTFNJAAWPWZKN-ZDUSSCGKSA-N 1 0 284.400 2.012 40 0 CEABRO C[NH+]1CCC(NC(=O)Cc2cccc(Cl)c2)CC1 ZINC000069369822 362962503 /nfs/dbraw/zinc/96/25/03/362962503.db2.gz OQERXXKNRHVYPP-UHFFFAOYSA-N 1 0 266.772 2.093 40 0 CEABRO CNC(=O)[C@H]1CCC[C@]12CC[N@H+](Cc1cccs1)C2 ZINC000108534964 186222696 /nfs/dbraw/zinc/22/26/96/186222696.db2.gz GHRGYHOTMDJJIQ-UKRRQHHQSA-N 1 0 278.421 2.486 40 0 CEABRO CCOC(=O)c1ccc(NC(=O)C2CC[NH+](C)CC2)cc1 ZINC000072793635 363166618 /nfs/dbraw/zinc/16/66/18/363166618.db2.gz SSLRFKGBSBDCRX-UHFFFAOYSA-N 1 0 290.363 2.144 40 0 CEABRO COP(=O)(OC)[C@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC000073410448 363216048 /nfs/dbraw/zinc/21/60/48/363216048.db2.gz JWIPRQFWGXJFFN-LBPRGKRZSA-N 1 0 268.253 2.481 40 0 CEABRO CC[C@H](C)Nc1nc(NCc2ccccn2)cc(C2CC2)[nH+]1 ZINC000328959335 202130995 /nfs/dbraw/zinc/13/09/95/202130995.db2.gz ATEWELHBZOAZDQ-LBPRGKRZSA-N 1 0 297.406 2.415 40 0 CEABRO CC(C)Nc1nc(NCCc2ccncc2)cc(C2CC2)[nH+]1 ZINC000328991999 202143935 /nfs/dbraw/zinc/14/39/35/202143935.db2.gz IUWOFTWLHWADBY-UHFFFAOYSA-N 1 0 297.406 2.068 40 0 CEABRO CCNc1nc(NCc2ccc(F)cc2)cc(C2CC2)[nH+]1 ZINC000329025267 202157937 /nfs/dbraw/zinc/15/79/37/202157937.db2.gz PFCQWBUPWCWNKS-UHFFFAOYSA-N 1 0 286.354 2.381 40 0 CEABRO [NH3+]CCSC1CCN(C(=O)OCc2ccccc2)CC1 ZINC000079392269 363594590 /nfs/dbraw/zinc/59/45/90/363594590.db2.gz XAIXIZPBGHLAQV-UHFFFAOYSA-N 1 0 294.420 2.480 40 0 CEABRO [NH3+]CC(=O)N(Cc1cc(Cl)ccc1Cl)C1CC1 ZINC000079420243 363598141 /nfs/dbraw/zinc/59/81/41/363598141.db2.gz UHWJQMPEOPJZAI-UHFFFAOYSA-N 1 0 273.163 2.443 40 0 CEABRO C[C@H]([NH3+])C(=O)N(Cc1cccc(Cl)c1)C1CC1 ZINC000079420590 363598755 /nfs/dbraw/zinc/59/87/55/363598755.db2.gz FOBZIWRQIMRLQU-VIFPVBQESA-N 1 0 252.745 2.178 40 0 CEABRO CCN(Cc1ccc(Br)cc1)C(=O)[C@H](C)[NH3+] ZINC000079420540 363598903 /nfs/dbraw/zinc/59/89/03/363598903.db2.gz UBWGQEJSQMSOPV-VIFPVBQESA-N 1 0 285.185 2.145 40 0 CEABRO CC(C)[C@H]([NH3+])C(=O)N([C@H](C)c1nccs1)C1CC1 ZINC000079436418 363600836 /nfs/dbraw/zinc/60/08/36/363600836.db2.gz ZGVLJUGSQIELHW-KOLCDFICSA-N 1 0 267.398 2.178 40 0 CEABRO C[C@@H](NC(=O)[C@@H]1CCC[N@H+](C)C1)c1ccc(F)cc1 ZINC000081229409 363706822 /nfs/dbraw/zinc/70/68/22/363706822.db2.gz NFDYWPSMUKIVND-DGCLKSJQSA-N 1 0 264.344 2.345 40 0 CEABRO C[NH+]1CCC(O)(C(O)(c2ccccc2)c2ccccc2)CC1 ZINC000001585539 361210093 /nfs/dbraw/zinc/21/00/93/361210093.db2.gz IDQXKYVBODGUJY-UHFFFAOYSA-N 1 0 297.398 2.379 40 0 CEABRO Oc1ccc(C[NH2+]CCC[NH2+]Cc2ccc(O)cc2)cc1 ZINC000001723549 361219675 /nfs/dbraw/zinc/21/96/75/361219675.db2.gz VLFRFJKKUOCSSX-UHFFFAOYSA-N 1 0 286.375 2.367 40 0 CEABRO CC(C)[NH2+]C[C@@H](O)COc1cccc2cc([C@@H](C)O)oc21 ZINC000002002688 361225089 /nfs/dbraw/zinc/22/50/89/361225089.db2.gz SOBIXRUSPZTLPQ-DGCLKSJQSA-N 1 0 293.363 2.224 40 0 CEABRO C[C@H]([NH2+]C(C)(C)CO)C(=O)c1cccc(Cl)c1 ZINC000002509772 361237068 /nfs/dbraw/zinc/23/70/68/361237068.db2.gz AKOAEVOSDHIVFX-VIFPVBQESA-N 1 0 255.745 2.272 40 0 endogenous,world CEABRO O=S(=O)(CC1CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000011967920 361369731 /nfs/dbraw/zinc/36/97/31/361369731.db2.gz GMORKTZQGHSBGC-UHFFFAOYSA-N 1 0 273.785 2.113 40 0 CEABRO O=C(/C=C/c1ccccc1)NCCC[NH+]1CCCC1 ZINC000010450002 361351036 /nfs/dbraw/zinc/35/10/36/361351036.db2.gz LICSCSOZJUMRGV-MDZDMXLPSA-N 1 0 258.365 2.302 40 0 CEABRO Cc1nn(C[NH+]2CCCC2)c2nc3ccccc3nc12 ZINC000016266460 361485999 /nfs/dbraw/zinc/48/59/99/361485999.db2.gz KHLGKUMHNHZFJF-UHFFFAOYSA-N 1 0 267.336 2.341 40 0 CEABRO C[C@@H]1CN([C@@H](C[NH3+])c2ccc(F)cc2F)C[C@@H](C)O1 ZINC000019257474 361522521 /nfs/dbraw/zinc/52/25/21/361522521.db2.gz FRPCNYBXDUFELS-RULNRJAQSA-N 1 0 270.323 2.074 40 0 CEABRO Cc1nc(C2CC[NH2+]CC2)ncc1C(=O)N[C@H](C)C(C)C ZINC000019766901 361549988 /nfs/dbraw/zinc/54/99/88/361549988.db2.gz JOWSSSNNGFKJID-LLVKDONJSA-N 1 0 290.411 2.026 40 0 CEABRO CC[C@H](CO)[NH2+]C[C@H](O)COc1ccc(C(C)C)c(C)c1 ZINC000026781333 361643779 /nfs/dbraw/zinc/64/37/79/361643779.db2.gz ROJPOKKJRSSHPI-CABCVRRESA-N 1 0 295.423 2.219 40 0 CEABRO COCCNC(=O)c1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000030752131 361702825 /nfs/dbraw/zinc/70/28/25/361702825.db2.gz IPGVFHXILRSASR-AWEZNQCLSA-N 1 0 290.407 2.295 40 0 CEABRO O[C@]12CCCCC[C@]1([NH+]1CCOCC1)c1ccccc12 ZINC000031851978 361721211 /nfs/dbraw/zinc/72/12/11/361721211.db2.gz AWVQMXZKIOHRCJ-IRXDYDNUSA-N 1 0 273.376 2.379 40 0 CEABRO Cc1ccc(-c2noc(CSC(N)=[NH2+])n2)c(C)c1 ZINC000089262027 363952259 /nfs/dbraw/zinc/95/22/59/363952259.db2.gz BCMUHUARUKLIAI-UHFFFAOYSA-N 1 0 262.338 2.480 40 0 CEABRO O[C@@H]1CC[N@H+](Cc2cccc(F)c2)[C@H]1Cc1cccnc1 ZINC000096200126 364408233 /nfs/dbraw/zinc/40/82/33/364408233.db2.gz QJGNHSCRXUDRHG-DLBZAZTESA-N 1 0 286.350 2.399 40 0 CEABRO CCO[C@H]1COC2(C1)CC[NH+](CC1CCOCC1)CC2 ZINC000096048118 364400454 /nfs/dbraw/zinc/40/04/54/364400454.db2.gz VPAYHULQAFSFOH-OAHLLOKOSA-N 1 0 283.412 2.073 40 0 CEABRO CC(C)C[N@@H+]1CC[C@]2(CCN(Cc3ccccn3)C2=O)C1 ZINC000096159486 364403297 /nfs/dbraw/zinc/40/32/97/364403297.db2.gz BABSSZUTTLNUPW-KRWDZBQOSA-N 1 0 287.407 2.162 40 0 CEABRO Cc1ccc(C(=O)N2CCC3(CC([NH+](C)C)C3)CC2)cn1 ZINC000096159210 364403558 /nfs/dbraw/zinc/40/35/58/364403558.db2.gz MHDMHFAOBRLFCX-UHFFFAOYSA-N 1 0 287.407 2.336 40 0 CEABRO c1cc(C[N@H+]2CC[C@]3(C[C@@H](OCC4CC4)CO3)C2)co1 ZINC000096208587 364410177 /nfs/dbraw/zinc/41/01/77/364410177.db2.gz FBMZXZRPQRSTHG-CVEARBPZSA-N 1 0 277.364 2.440 40 0 CEABRO CC(=O)N1CCC[C@]2(CC[N@H+](Cc3cccc(C)n3)C2)C1 ZINC000096216305 364413469 /nfs/dbraw/zinc/41/34/69/364413469.db2.gz NKGYHDOIQSNUGZ-QGZVFWFLSA-N 1 0 287.407 2.224 40 0 CEABRO O=C1C[C@]2(CC[N@H+](Cc3ccco3)C2)CN1c1cccnc1 ZINC000096239105 364416804 /nfs/dbraw/zinc/41/68/04/364416804.db2.gz NEXDJRZXDKLQQD-KRWDZBQOSA-N 1 0 297.358 2.304 40 0 CEABRO CC(=O)N1C[C@H]2CCC[N@H+](Cc3ccc(C)o3)[C@H]2C1 ZINC000096246250 364417198 /nfs/dbraw/zinc/41/71/98/364417198.db2.gz OJCBXZGZDVSPGS-HIFRSBDPSA-N 1 0 262.353 2.031 40 0 CEABRO CC(C)[N@@H+]1C[C@@H]2CCN(Cc3ccccc3)C(=O)[C@]2(F)C1 ZINC000096261733 364417821 /nfs/dbraw/zinc/41/78/21/364417821.db2.gz BZJQUFUZGCOTRI-RDJZCZTQSA-N 1 0 290.382 2.467 40 0 CEABRO CCN1C(=O)[C@H](c2ccccc2)CC12CC[NH+](C)CC2 ZINC000096261145 364417873 /nfs/dbraw/zinc/41/78/73/364417873.db2.gz KRJMBPBPINHUKA-HNNXBMFYSA-N 1 0 272.392 2.487 40 0 CEABRO [NH3+][C@@H](C(=O)N1C[C@H]2CC=CC[C@@H]2C1)c1ccccc1 ZINC000097234139 364483691 /nfs/dbraw/zinc/48/36/91/364483691.db2.gz QNMSTZHNAPNOCK-RBSFLKMASA-N 1 0 256.349 2.111 40 0 CEABRO c1coc(C[N@H+]2CC[C@@H]3OCCN(CC4CC4)[C@H]3CC2)c1 ZINC000107254924 364709430 /nfs/dbraw/zinc/70/94/30/364709430.db2.gz OXKNUNVMFCNJIV-IRXDYDNUSA-N 1 0 290.407 2.355 40 0 CEABRO COCC[NH2+]Cc1cccn1-c1ccc(OC)cc1 ZINC000113704179 364909726 /nfs/dbraw/zinc/90/97/26/364909726.db2.gz GCRFPBHNXVBWGJ-UHFFFAOYSA-N 1 0 260.337 2.222 40 0 CEABRO Cc1ncc(C[N@H+]2CCC[C@]3(CN(C(C)C)C3=O)C2)s1 ZINC000585099344 367177407 /nfs/dbraw/zinc/17/74/07/367177407.db2.gz GMCPPCJXYPUDSE-OAHLLOKOSA-N 1 0 293.436 2.284 40 0 CEABRO Cn1ccc(C(=O)N2CCC[C@@]23CCC[N@H+](C)CC3)c1 ZINC000585100057 367177472 /nfs/dbraw/zinc/17/74/72/367177472.db2.gz DLARTBVCBMKICX-MRXNPFEDSA-N 1 0 275.396 2.116 40 0 CEABRO COc1cc(OC)c2nc(C)cc(NCCC[NH3+])c2c1 ZINC000222691157 370256651 /nfs/dbraw/zinc/25/66/51/370256651.db2.gz OZNVSULCTUUKLZ-UHFFFAOYSA-N 1 0 275.352 2.321 40 0 CEABRO C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCC[NH+](C)C ZINC000223595251 370268211 /nfs/dbraw/zinc/26/82/11/370268211.db2.gz FTXOXJUNHQZFBX-CYBMUJFWSA-N 1 0 290.407 2.011 40 0 CEABRO Cc1ccc(NC(=S)NCCC[NH+]2CCCC2)nc1 ZINC000225435130 370294724 /nfs/dbraw/zinc/29/47/24/370294724.db2.gz UFCTXZQPWDAPDC-UHFFFAOYSA-N 1 0 278.425 2.162 40 0 CEABRO COc1ccc2c3c1O[C@@H]1C=CC=C4[C@@H](C2)[N@H+](C)CC[C@@]341 ZINC000253505392 371525679 /nfs/dbraw/zinc/52/56/79/371525679.db2.gz UYDXNVYSAYJCMN-DDUZABMNSA-N 1 0 281.355 2.450 40 0 biogenic,in-vitro CEABRO [NH3+][C@H]1CC[C@H](NC(=O)c2ccc(Cl)cc2)CC1 ZINC000255190064 189996630 /nfs/dbraw/zinc/99/66/30/189996630.db2.gz UTPGEBQTSHQWPV-HAQNSBGRSA-N 1 0 252.745 2.340 40 0 CEABRO CC[C@@H](C)n1nccc1C[NH2+]Cc1cnn(C)c1C ZINC000256052212 190004438 /nfs/dbraw/zinc/00/44/38/190004438.db2.gz MJGDQTGEGSWHFN-LLVKDONJSA-N 1 0 261.373 2.186 40 0 CEABRO CCCn1cc(C[N@@H+]2CC[C@H](c3cc[nH]n3)C2)cn1 ZINC000257214043 190012838 /nfs/dbraw/zinc/01/28/38/190012838.db2.gz CKGUYASJBXCIDJ-ZDUSSCGKSA-N 1 0 259.357 2.006 40 0 CEABRO CCn1nccc1-c1cccc([C@H]2CCC[NH2+]C2)n1 ZINC000257217035 190013758 /nfs/dbraw/zinc/01/37/58/190013758.db2.gz CXEDEQJWJIIBEF-LBPRGKRZSA-N 1 0 256.353 2.432 40 0 CEABRO Cc1c[nH]nc1[C@@H]1CC[N@H+](CC2(O)CCCCC2)C1 ZINC000257224326 190015683 /nfs/dbraw/zinc/01/56/83/190015683.db2.gz FBIHYVSXXWNNTC-CYBMUJFWSA-N 1 0 263.385 2.203 40 0 CEABRO c1ccc(CC[N@@H+]2CCOC[C@H](Cc3ncccn3)C2)cc1 ZINC000257230187 190015895 /nfs/dbraw/zinc/01/58/95/190015895.db2.gz GBFIMVOBWJOLCP-QGZVFWFLSA-N 1 0 297.402 2.210 40 0 CEABRO CCn1nccc1-c1cc(C[C@H]2CC[N@H+](C)C2)ccn1 ZINC000257223049 190014355 /nfs/dbraw/zinc/01/43/55/190014355.db2.gz DVRSHAMTSVBAIB-CQSZACIVSA-N 1 0 270.380 2.459 40 0 CEABRO CS(=O)(=O)c1ccc(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000257222098 190014574 /nfs/dbraw/zinc/01/45/74/190014574.db2.gz DRWZNTOYEGWEJZ-AGUYFDCRSA-N 1 0 279.405 2.163 40 0 CEABRO CNC(=O)C[NH+]1CCC(Cc2cccc3cccnc32)CC1 ZINC000257237817 190017696 /nfs/dbraw/zinc/01/76/96/190017696.db2.gz HIHFTELKZMADDY-UHFFFAOYSA-N 1 0 297.402 2.235 40 0 CEABRO CCOc1ccccc1C[N@@H+]1CC[C@H](O)[C@]2(CCCO2)C1 ZINC000257239522 190018113 /nfs/dbraw/zinc/01/81/13/190018113.db2.gz HPSSUAJBDIWEOC-IRXDYDNUSA-N 1 0 291.391 2.201 40 0 CEABRO CO[C@H]1C[N@H+](Cc2cncc(C)c2)CC[C@@]12CCCO2 ZINC000257271595 190023747 /nfs/dbraw/zinc/02/37/47/190023747.db2.gz MYYQDJQWMXEYJU-HOTGVXAUSA-N 1 0 276.380 2.160 40 0 CEABRO CNc1cc([C@H]2CCC[N@H+](Cc3cncn3C)C2)ccn1 ZINC000257268921 190024021 /nfs/dbraw/zinc/02/40/21/190024021.db2.gz MNUPAMOMPBUFKL-AWEZNQCLSA-N 1 0 285.395 2.236 40 0 CEABRO Cc1noc(C)c1-c1cc(C[C@H]2CCC[NH2+]C2)ncn1 ZINC000257259434 190021930 /nfs/dbraw/zinc/02/19/30/190021930.db2.gz KYIOFOCAPXRYLG-GFCCVEGCSA-N 1 0 272.352 2.291 40 0 CEABRO CNc1ncccc1C[N@@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000257281402 190026214 /nfs/dbraw/zinc/02/62/14/190026214.db2.gz OOZUPSRKNYMKON-CYBMUJFWSA-N 1 0 283.379 2.293 40 0 CEABRO CNC(=O)c1sc2nc([C@H]3CCCC[NH2+]3)ccc2c1N ZINC000257309448 190031524 /nfs/dbraw/zinc/03/15/24/190031524.db2.gz UAZPVYVTKONSEA-SECBINFHSA-N 1 0 290.392 2.053 40 0 CEABRO Cn1cccc1C[NH+]1CCC(c2ccnc3ccnn32)CC1 ZINC000257289231 190028009 /nfs/dbraw/zinc/02/80/09/190028009.db2.gz PXRCOCJWDSKIKY-UHFFFAOYSA-N 1 0 295.390 2.447 40 0 CEABRO CCCn1cc(-c2cnc(CC3CC[NH2+]CC3)cn2)cn1 ZINC000257307518 190031115 /nfs/dbraw/zinc/03/11/15/190031115.db2.gz SZAGZIQVTJBUPF-UHFFFAOYSA-N 1 0 285.395 2.292 40 0 CEABRO CC(C)n1nc(CNc2nccs2)c2c1C[NH2+]CC2 ZINC000306135855 376541274 /nfs/dbraw/zinc/54/12/74/376541274.db2.gz PCZXBPKUONCXJC-UHFFFAOYSA-N 1 0 277.397 2.178 40 0 CEABRO CNc1nc(NCc2cc(F)cc(F)c2)cc(C2CC2)[nH+]1 ZINC000328961603 376927321 /nfs/dbraw/zinc/92/73/21/376927321.db2.gz BEMKGESLCXOBLY-UHFFFAOYSA-N 1 0 290.317 2.130 40 0 CEABRO O=C1CCC2(CC[NH+](C[C@H]3CC=CCC3)CC2)CN1 ZINC000108526517 296316500 /nfs/dbraw/zinc/31/65/00/296316500.db2.gz NVHNGEDMGMKZSG-AWEZNQCLSA-N 1 0 262.397 2.335 40 0 CEABRO Cc1cc(N2CCc3ccccc3C2)[nH+]cc1CCO ZINC000072223904 256704994 /nfs/dbraw/zinc/70/49/94/256704994.db2.gz FZJJRAYUWOXHIX-UHFFFAOYSA-N 1 0 268.360 2.488 40 0 CEABRO CC[N@@H+]1CCC[C@H]1c1cccnc1N1CCOCC1 ZINC000072216214 394593596 /nfs/dbraw/zinc/59/35/96/394593596.db2.gz FGXWEXFSRCNSDW-AWEZNQCLSA-N 1 0 261.369 2.075 40 0 CEABRO C[N@@H+]1C[C@@H]2CN(C3CCCCC3)CCN2C(C)(C)C1 ZINC000253400856 394577767 /nfs/dbraw/zinc/57/77/67/394577767.db2.gz MBIZTNAYXGLTLO-OAHLLOKOSA-N 1 0 265.445 2.029 40 0 biogenic,in-vitro CEABRO Cc1cc(N2CCOCC2)ncc1[C@@H]([NH3+])c1ccccc1 ZINC000072223560 394594645 /nfs/dbraw/zinc/59/46/45/394594645.db2.gz XMGCFVPDYQBGNI-KRWDZBQOSA-N 1 0 283.375 2.275 40 0 CEABRO CCOC(=O)[C@@H](CN)C1([NH+](CC)CC)CCCCC1 ZINC000072210447 394592223 /nfs/dbraw/zinc/59/22/23/394592223.db2.gz FUKUZUIIROTEPD-CYBMUJFWSA-N 1 0 270.417 2.169 40 0 CEABRO CC(C)(C)Sc1ccc(N2CC[NH2+]CC2)nc1 ZINC000072225519 394595516 /nfs/dbraw/zinc/59/55/16/394595516.db2.gz LPPIQVTUHZQXNX-UHFFFAOYSA-N 1 0 251.399 2.382 40 0 CEABRO Cc1cnccc1-c1cnc(N(C)C)nc1[C@@H]1CCC[NH2+]1 ZINC000257230320 394595641 /nfs/dbraw/zinc/59/56/41/394595641.db2.gz GBSUYZDMBXUEBC-AWEZNQCLSA-N 1 0 283.379 2.338 40 0 CEABRO CC(C)N(CC[NH3+])Cc1ccc(Br)nc1 ZINC000079421575 394630956 /nfs/dbraw/zinc/63/09/56/394630956.db2.gz XTOORNRHUWOSDG-UHFFFAOYSA-N 1 0 272.190 2.013 40 0 CEABRO CON(C)C(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000083291148 394640731 /nfs/dbraw/zinc/64/07/31/394640731.db2.gz GTHXAOJWKPSWNU-AWEZNQCLSA-N 1 0 262.353 2.061 40 0 CEABRO CC(C)(C)OC(=O)N1C[C@H]([NH3+])[C@](C)(C(F)(F)F)C1 ZINC000199784066 400297612 /nfs/dbraw/zinc/29/76/12/400297612.db2.gz PMJPHYRIBXKIDH-OIBJUYFYSA-N 1 0 268.279 2.133 40 0 CEABRO C[N@H+](Cc1ccccc1)[C@H]1CC[C@H]([NH2+]CC(=O)[O-])CC1 ZINC000242649218 400315403 /nfs/dbraw/zinc/31/54/03/400315403.db2.gz RWTUSEAGUBNKIB-SHTZXODSSA-N 1 0 276.380 2.104 40 0 CEABRO CC(=O)N1CC[N@H+](CC2CC2)C[C@H]1c1ccccc1 ZINC000257229492 400317351 /nfs/dbraw/zinc/31/73/51/400317351.db2.gz FYIAFFBDGYHKBN-INIZCTEOSA-N 1 0 258.365 2.302 40 0 CEABRO COc1ccc2c(c1)CC[C@@H]([N@@H+]1CCC[C@H](O)C1)C2 ZINC000004792360 170017699 /nfs/dbraw/zinc/01/76/99/170017699.db2.gz UCSWLBFIWMGEFO-CABCVRRESA-N 1 0 261.365 2.009 40 0 CEABRO Cc1ccc(C)c(NC(=S)NCC[NH+](C)C)c1 ZINC000007522022 170288370 /nfs/dbraw/zinc/28/83/70/170288370.db2.gz SCOOKPRFNMLIAK-UHFFFAOYSA-N 1 0 251.399 2.151 40 0 CEABRO COc1ccc(C(=O)NCCC[NH+]2CCCCC2)cc1F ZINC000038265344 174138291 /nfs/dbraw/zinc/13/82/91/174138291.db2.gz NYJJONQIOIDIFH-UHFFFAOYSA-N 1 0 294.370 2.440 40 0 CEABRO [NH3+][C@@H]1CCCN(Cc2cc(Br)cs2)C1 ZINC000038539954 174146158 /nfs/dbraw/zinc/14/61/58/174146158.db2.gz XGBUUOWJOQEQTB-SECBINFHSA-N 1 0 275.215 2.434 40 0 CEABRO CCN(CC)[C@@H](C[NH3+])c1ccc(OC)cc1OC ZINC000038808905 174156723 /nfs/dbraw/zinc/15/67/23/174156723.db2.gz UYYJVSHOUGFOSX-ZDUSSCGKSA-N 1 0 252.358 2.045 40 0 CEABRO COc1cccc(-c2noc(C3CC[NH2+]CC3)n2)c1OC ZINC000199783015 414840187 /nfs/dbraw/zinc/84/01/87/414840187.db2.gz MIFLEVRRVCJDBL-UHFFFAOYSA-N 1 0 289.335 2.221 40 0 CEABRO CC(C)[NH+]1CCC(Cc2cc(N(C)C)ncn2)CC1 ZINC000072352115 176374542 /nfs/dbraw/zinc/37/45/42/176374542.db2.gz RKPZAWHPLFVLEI-UHFFFAOYSA-N 1 0 262.401 2.206 40 0 CEABRO COCC[N@@H+]1CCC[C@@H](c2cccc(-n3ccnc3)n2)C1 ZINC000072355537 176374981 /nfs/dbraw/zinc/37/49/81/176374981.db2.gz FEMVDCIXKLACHN-CQSZACIVSA-N 1 0 286.379 2.093 40 0 CEABRO NC(=O)c1cccc(-c2cccc([C@H]3CCC[NH2+]C3)n2)c1 ZINC000072356406 176375855 /nfs/dbraw/zinc/37/58/55/176375855.db2.gz UGLOZDXOGZDPAN-AWEZNQCLSA-N 1 0 281.359 2.315 40 0 CEABRO c1sc(Nc2cnccn2)nc1[C@@H]1CCCC[NH2+]1 ZINC000072361061 176377100 /nfs/dbraw/zinc/37/71/00/176377100.db2.gz NRYNMLUDHXJUFQ-VIFPVBQESA-N 1 0 261.354 2.491 40 0 CEABRO C[NH+](C)CC(=O)N1CC[C@H](Cc2cnc3ccccc3c2)C1 ZINC000072368193 176383083 /nfs/dbraw/zinc/38/30/83/176383083.db2.gz YBOMPXGLNMCLKT-CQSZACIVSA-N 1 0 297.402 2.187 40 0 CEABRO COc1cccc(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c1OC ZINC000072397521 176395074 /nfs/dbraw/zinc/39/50/74/176395074.db2.gz JKVMYIBCSWDHCB-ZFWWWQNUSA-N 1 0 290.407 2.372 40 0 CEABRO CSc1ccc(CN2C[C@H]3C[C@@H](O)C[N@@H+]3C[C@H]2C)cc1 ZINC000072397666 176395189 /nfs/dbraw/zinc/39/51/89/176395189.db2.gz QERHHOFNCGADLU-BPLDGKMQSA-N 1 0 292.448 2.048 40 0 CEABRO CC(=O)N1CCc2cc([C@H](O)C[NH+]3CCCCC3)ccc21 ZINC000062353858 260235665 /nfs/dbraw/zinc/23/56/65/260235665.db2.gz VUMKKYRZWXRFTM-QGZVFWFLSA-N 1 0 288.391 2.115 40 0 CEABRO Brc1cccc(NC2CC[NH2+]CC2)n1 ZINC000040434964 275373275 /nfs/dbraw/zinc/37/32/75/275373275.db2.gz MMLMFNJFBFLPSP-UHFFFAOYSA-N 1 0 256.147 2.008 40 0 CEABRO Brc1ccc2c(c1)[C@@]1(CC2)COCC[NH2+]1 ZINC000306145699 276768173 /nfs/dbraw/zinc/76/81/73/276768173.db2.gz OCEXFOIWNBQOFA-GFCCVEGCSA-N 1 0 268.154 2.210 40 0 CEABRO CC(C)(C)OC(=O)N(C1CC1)[C@H]1CCCC[C@@H]1[NH2+]CCO ZINC000079408255 278377373 /nfs/dbraw/zinc/37/73/73/278377373.db2.gz QPHIDKJEKGGRLO-KBPBESRZSA-N 1 0 298.427 2.279 40 0 CEABRO Cc1cc(N(C)C)nc([C@@H]2CCC[N@@H+]2C2CCOCC2)n1 ZINC000072364358 301329391 /nfs/dbraw/zinc/32/93/91/301329391.db2.gz AKEKKBRYTSKRMT-AWEZNQCLSA-N 1 0 290.411 2.167 40 0 CEABRO N[C@H](C[NH3+])c1cc(Br)cc(Br)c1 ZINC000044472003 327134518 /nfs/dbraw/zinc/13/45/18/327134518.db2.gz SSQNWRFNXOLVKK-MRVPVSSYSA-N 1 0 293.990 2.170 40 0 CEABRO COc1ccc(CCN2CC[NH2+][C@H]3CCC[C@H]32)cc1 ZINC000218842357 333137059 /nfs/dbraw/zinc/13/70/59/333137059.db2.gz XPVMECDKJUEICT-JKSUJKDBSA-N 1 0 260.381 2.064 40 0 CEABRO C[NH2+][C@@H]1CCCN(c2cc(Cl)nc(SC)n2)C1 ZINC000072203250 536365875 /nfs/dbraw/zinc/36/58/75/536365875.db2.gz RRWCUSQPWTZYED-MRVPVSSYSA-N 1 0 272.805 2.040 40 0 CEABRO COC(=O)[C@H]1C[NH2+]C[C@@H]1c1ccc(C)cc1Cl ZINC000409423982 623495659 /nfs/dbraw/zinc/49/56/59/623495659.db2.gz WMGICSLBYXLPRF-MNOVXSKESA-N 1 0 253.729 2.124 40 0 CEABRO [NH3+][C@@H](Cc1ccccc1)c1nc(-c2cccnc2)n[nH]1 ZINC000095534850 185008260 /nfs/dbraw/zinc/00/82/60/185008260.db2.gz FHYSDNXNJJZTOE-ZDUSSCGKSA-N 1 0 265.320 2.109 40 0 CEABRO O=C(NCC1(F)CC[NH2+]CC1)OCc1ccccc1 ZINC000095740387 185024590 /nfs/dbraw/zinc/02/45/90/185024590.db2.gz MAHRTFNQNSMNLY-UHFFFAOYSA-N 1 0 266.316 2.005 40 0 CEABRO Cc1nnc([C@H]2C[C@@H]3CC[N@H+](Cc4ccco4)C[C@H]3O2)[nH]1 ZINC000096046195 185071902 /nfs/dbraw/zinc/07/19/02/185071902.db2.gz XQSMOLLNMJQKBD-IACUBPJLSA-N 1 0 288.351 2.058 40 0 CEABRO c1cn([C@@H]2CO[C@@]3(C2)CCC[N@@H+](Cc2ccoc2)C3)cn1 ZINC000096048549 185072375 /nfs/dbraw/zinc/07/23/75/185072375.db2.gz RHHJWYHNAPOFFG-JKSUJKDBSA-N 1 0 287.363 2.472 40 0 CEABRO CO[C@@H]1COC2(C1)CC[NH+](Cc1ccco1)CC2 ZINC000096048129 185072930 /nfs/dbraw/zinc/07/29/30/185072930.db2.gz VLWKEIQCKFZROM-ZDUSSCGKSA-N 1 0 251.326 2.050 40 0 CEABRO O=C1N(Cc2cccnc2)CC[C@]12CCC[N@H+](CC1CC1)C2 ZINC000096048646 185073445 /nfs/dbraw/zinc/07/34/45/185073445.db2.gz KUYRFVVJNHWPHP-SFHVURJKSA-N 1 0 299.418 2.306 40 0 CEABRO c1cncc(CN2C[C@@H]3C[NH+](Cc4ccncc4)C[C@H]3C2)c1 ZINC000096053745 185074940 /nfs/dbraw/zinc/07/49/40/185074940.db2.gz GEEIIYLNXYZEPQ-ROUUACIJSA-N 1 0 294.402 2.040 40 0 CEABRO c1coc(C[NH+]2C[C@H]3CN(Cc4ccccn4)C[C@@H]3C2)c1 ZINC000096053778 185074995 /nfs/dbraw/zinc/07/49/95/185074995.db2.gz JEGHGWHLFFTGSN-HUUCEWRRSA-N 1 0 283.375 2.238 40 0 CEABRO Cn1cnc2c1[C@@H](COCC1CC1)C[N@H+](CC1CC1)C2 ZINC000096060251 185081719 /nfs/dbraw/zinc/08/17/19/185081719.db2.gz ISTQBXCUGMWNDR-CQSZACIVSA-N 1 0 275.396 2.156 40 0 CEABRO O=C(c1cccc(F)c1)N1C[C@H]2C[C@@H](C1)[N@H+](CC1CC1)C2 ZINC000096058505 185078592 /nfs/dbraw/zinc/07/85/92/185078592.db2.gz LQBNBDNKRDTJKI-BBRMVZONSA-N 1 0 288.366 2.382 40 0 CEABRO O[C@@H]1CC[N@H+](Cc2ccoc2)[C@H]1Cc1ccccc1 ZINC000096061555 185082380 /nfs/dbraw/zinc/08/23/80/185082380.db2.gz GIRNUCOHFXCUFY-JKSUJKDBSA-N 1 0 257.333 2.458 40 0 CEABRO CCOC(=O)c1cccc(NC(=O)[C@H]2CCC[N@H+](C)C2)c1 ZINC000096629295 185108278 /nfs/dbraw/zinc/10/82/78/185108278.db2.gz ZBDYBEQJLPNGRN-ZDUSSCGKSA-N 1 0 290.363 2.144 40 0 CEABRO [NH3+]C1CCN(c2cccc(Br)c2)CC1 ZINC000037483314 361903868 /nfs/dbraw/zinc/90/38/68/361903868.db2.gz OKHLYQNSSYEMLG-UHFFFAOYSA-N 1 0 255.159 2.377 40 0 CEABRO [NH3+]Cc1cc(-c2cccc(Br)c2)ncn1 ZINC000096948660 185137344 /nfs/dbraw/zinc/13/73/44/185137344.db2.gz GLZVQFBIISTDOC-UHFFFAOYSA-N 1 0 264.126 2.365 40 0 CEABRO CC(C)[C@H]([NH3+])C(=O)N(C)[C@H](C)c1ccc(F)cc1 ZINC000037802945 361944359 /nfs/dbraw/zinc/94/43/59/361944359.db2.gz FHMVGIFJHYNCJG-MFKMUULPSA-N 1 0 252.333 2.328 40 0 CEABRO Cc1cc(OCCN2CCC[NH2+]CC2)ccc1Cl ZINC000041388999 362032088 /nfs/dbraw/zinc/03/20/88/362032088.db2.gz AIMNOKIOBQCUHC-UHFFFAOYSA-N 1 0 268.788 2.323 40 0 CEABRO Brc1ccccc1CNC1CC[NH2+]CC1 ZINC000042419284 362093266 /nfs/dbraw/zinc/09/32/66/362093266.db2.gz NPBMAKGAKVHTCT-UHFFFAOYSA-N 1 0 269.186 2.291 40 0 CEABRO CCn1c2ccccc2nc1OC[C@H]1CCC[NH2+]C1 ZINC000043220243 362140118 /nfs/dbraw/zinc/14/01/18/362140118.db2.gz CVDKCNFMARRYMU-LBPRGKRZSA-N 1 0 259.353 2.435 40 0 CEABRO Cc1nc(C)c(C(=O)NCC[NH+]2C[C@H](C)C[C@@H](C)C2)s1 ZINC000046882139 362188702 /nfs/dbraw/zinc/18/87/02/362188702.db2.gz RKGHATGFEOVQIO-GHMZBOCLSA-N 1 0 295.452 2.468 40 0 CEABRO Cc1nc(N2CCc3ccccc3C2)cc(NCCCO)[nH+]1 ZINC000328958530 136377233 /nfs/dbraw/zinc/37/72/33/136377233.db2.gz APUPBCUBWYNYFX-UHFFFAOYSA-N 1 0 298.390 2.142 40 0 CEABRO O=C(NC[C@H]1CCC[NH2+]CC1)OCc1ccccc1 ZINC000110916052 344270433 /nfs/dbraw/zinc/27/04/33/344270433.db2.gz LHCWEHCOPSRXHH-ZDUSSCGKSA-N 1 0 262.353 2.303 40 0 CEABRO c1ccn(C2(c3noc(C4C[NH2+]C4)n3)CCCCC2)c1 ZINC000409438176 344889589 /nfs/dbraw/zinc/88/95/89/344889589.db2.gz CHVGEHZBUIWNMK-UHFFFAOYSA-N 1 0 272.352 2.266 40 0 CEABRO Cc1cccc(C[N@@H+]2CC[C@@](O)(COc3ccccc3)C2)n1 ZINC000585269496 345009062 /nfs/dbraw/zinc/00/90/62/345009062.db2.gz XBVGIURQBUGSKZ-SFHVURJKSA-N 1 0 298.386 2.406 40 0 CEABRO O[C@@]1(COc2ccccc2)CC[N@H+](Cc2ccccn2)C1 ZINC000585269477 345009101 /nfs/dbraw/zinc/00/91/01/345009101.db2.gz VZLLOUVYYQXOKJ-KRWDZBQOSA-N 1 0 284.359 2.097 40 0 CEABRO Cc1ccccc1[C@H]1C[N@H+](CC(C)(C)C)[C@H](CO)[C@@H]1O ZINC000585295158 345010389 /nfs/dbraw/zinc/01/03/89/345010389.db2.gz NOYRWCUEDLNFCO-BZUAXINKSA-N 1 0 277.408 2.162 40 0 CEABRO CC(C)C[NH2+]C1(Cc2cc(CC(C)C)on2)COC1 ZINC000067898219 362930494 /nfs/dbraw/zinc/93/04/94/362930494.db2.gz JAYBZLCVOZSKAC-UHFFFAOYSA-N 1 0 266.385 2.430 40 0 biogenic,in-vitro CEABRO CNc1nc(NCc2cccc(C)c2)cc(C2CC2)[nH+]1 ZINC000328980010 202137741 /nfs/dbraw/zinc/13/77/41/202137741.db2.gz GKJAZXVVYLCAGR-UHFFFAOYSA-N 1 0 268.364 2.160 40 0 CEABRO CC(C)[NH+]1CCC(O)(c2ccc3c(c2)OCO3)CC1 ZINC000079026913 363567231 /nfs/dbraw/zinc/56/72/31/363567231.db2.gz GCSYQHQPGKVVPR-UHFFFAOYSA-N 1 0 263.337 2.107 40 0 CEABRO O=C(c1ccccc1)[C@@H](Cc1ccccc1)[NH2+]CCO ZINC000001594023 538735982 /nfs/dbraw/zinc/73/59/82/538735982.db2.gz JZFVEQOVDOMOIE-MRXNPFEDSA-N 1 0 269.344 2.063 40 0 CEABRO CCOC(=O)C1=C(C)NC(SC)=N[C@@H]1c1ccco1 ZINC000408731216 538779535 /nfs/dbraw/zinc/77/95/35/538779535.db2.gz LHFLZSDJZUABHC-LLVKDONJSA-N 1 0 280.349 2.480 40 0 CEABRO CN(Cc1ccccc1)[C@@H]1CCCC[C@@H]1[NH2+]CCO ZINC000079414157 363597207 /nfs/dbraw/zinc/59/72/07/363597207.db2.gz MPLCGBFEAWUJPF-JKSUJKDBSA-N 1 0 262.397 2.012 40 0 CEABRO O=C(OCc1ccccc1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000079437876 363600067 /nfs/dbraw/zinc/60/00/67/363600067.db2.gz ZOGPRVKWMUKHFA-AWEZNQCLSA-N 1 0 260.337 2.150 40 0 CEABRO C[NH2+]C[C@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000079437122 363599867 /nfs/dbraw/zinc/59/98/67/363599867.db2.gz UWMPGXUYXQOFBY-CQSZACIVSA-N 1 0 262.353 2.397 40 0 CEABRO [NH3+]CCNc1nc(-c2ccncc2)cc2ncccc21 ZINC000019345353 283440055 /nfs/dbraw/zinc/44/00/55/283440055.db2.gz LADIDEKFWKOIAL-UHFFFAOYSA-N 1 0 265.320 2.062 40 0 CEABRO Cc1cc(C(=O)N2CC[NH2+]CC2)c(-c2ccccc2)o1 ZINC000000039073 361120502 /nfs/dbraw/zinc/12/05/02/361120502.db2.gz VEFQSNXUUTXIQS-UHFFFAOYSA-N 1 0 270.332 2.300 40 0 CEABRO CC[N@@H+]1C[C@H]2CCC[C@]3(C1)C(=O)NC1(CCCCC1)N=C23 ZINC000000519327 361182732 /nfs/dbraw/zinc/18/27/32/361182732.db2.gz ICFQVBLKMFUCBQ-CZUORRHYSA-N 1 0 289.423 2.340 40 0 CEABRO CCC[NH2+]CCOC(=O)c1ccc(N)c(OCCC)c1 ZINC000001661099 361214645 /nfs/dbraw/zinc/21/46/45/361214645.db2.gz MIUFEHOMDIVRGA-UHFFFAOYSA-N 1 0 280.368 2.214 40 0 CEABRO CCC[NH2+]CCC(=O)Nc1ccccc1C(=O)OCC ZINC000001671748 361216339 /nfs/dbraw/zinc/21/63/39/361216339.db2.gz JYRPWIUVGWZADD-UHFFFAOYSA-N 1 0 278.352 2.192 40 0 CEABRO Cc1cccc(OC[C@@H](O)C[N@H+]2CCC[C@H](C)C2)c1 ZINC000004276562 361309290 /nfs/dbraw/zinc/30/92/90/361309290.db2.gz SVKRAUOKQPVBIT-GJZGRUSLSA-N 1 0 263.381 2.467 40 0 CEABRO COc1cc(OC)cc([C@H](C[NH3+])N2CCC[C@@H](C)C2)c1 ZINC000019840903 361561592 /nfs/dbraw/zinc/56/15/92/361561592.db2.gz MICPJGHFZAGIHR-WBMJQRKESA-N 1 0 278.396 2.436 40 0 CEABRO CCc1noc(C)c1C(=O)NCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000019521281 361541466 /nfs/dbraw/zinc/54/14/66/361541466.db2.gz NHUFTFRNDTUMSC-RYUDHWBXSA-N 1 0 293.411 2.253 40 0 CEABRO O[C@]12c3ccccc3[C@H]1CCCC[C@H]2[NH+]1CCOCC1 ZINC000031851948 361720705 /nfs/dbraw/zinc/72/07/05/361720705.db2.gz XNHVAOFTRMYYNB-BRWVUGGUSA-N 1 0 273.376 2.246 40 0 CEABRO COCC[NH2+]C[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000089212801 363949738 /nfs/dbraw/zinc/94/97/38/363949738.db2.gz YJUNLMACEVPUOW-GFCCVEGCSA-N 1 0 272.389 2.012 40 0 CEABRO CC(C)(C)c1cnc(CN2C[C@H]3C[NH2+]C[C@H](C3)C2)o1 ZINC000095093755 364338820 /nfs/dbraw/zinc/33/88/20/364338820.db2.gz VLCUHENUKAIXHP-TXEJJXNPSA-N 1 0 263.385 2.013 40 0 CEABRO CC(C)[N@H+]1C[C@H]2CN(C(=O)c3cccs3)C[C@H]2C1 ZINC000096182228 364406155 /nfs/dbraw/zinc/40/61/55/364406155.db2.gz OAVOKHXKQIUEEB-TXEJJXNPSA-N 1 0 264.394 2.160 40 0 CEABRO CC(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCN2Cc1ccncc1 ZINC000096184274 364407497 /nfs/dbraw/zinc/40/74/97/364407497.db2.gz ZDVPNWSUZLZKLE-JKSUJKDBSA-N 1 0 259.397 2.386 40 0 CEABRO Cc1noc(C)c1C(=O)N1C[C@@H]2C[NH2+]C[C@@H]2c2ccccc21 ZINC000096088604 364399665 /nfs/dbraw/zinc/39/96/65/364399665.db2.gz PAHJJWYPOYMVIM-JSGCOSHPSA-N 1 0 297.358 2.255 40 0 CEABRO Cn1cc(CN2CCC3(C[NH+](Cc4ccccc4)C3)C2)cn1 ZINC000096202672 364410807 /nfs/dbraw/zinc/41/08/07/364410807.db2.gz POMZRLBVMDVZKP-UHFFFAOYSA-N 1 0 296.418 2.128 40 0 CEABRO C[NH+](C)[C@@H]1CCN(C(=O)C2CC=CC2)[C@H]1Cc1ccncc1 ZINC000096201010 364410952 /nfs/dbraw/zinc/41/09/52/364410952.db2.gz WNASOSOBERYDMM-SJORKVTESA-N 1 0 299.418 2.121 40 0 CEABRO O[C@H]1CC[N@H+](Cc2ccsc2)[C@H]1Cc1cccnc1 ZINC000096200432 364411134 /nfs/dbraw/zinc/41/11/34/364411134.db2.gz JHKJUWKWRPYCAI-GJZGRUSLSA-N 1 0 274.389 2.321 40 0 CEABRO c1ccc(N2CCC[C@]3(CC[N@@H+]([C@@H]4CCOC4)C3)C2)nc1 ZINC000096216792 364413433 /nfs/dbraw/zinc/41/34/33/364413433.db2.gz XHXQCHGEJUTSKP-NVXWUHKLSA-N 1 0 287.407 2.163 40 0 CEABRO C[NH+]1CCC2(C=C(C(=O)NC3CC3)c3ccccc32)CC1 ZINC000096241620 364415713 /nfs/dbraw/zinc/41/57/13/364415713.db2.gz FHCJSPBUGQCUAB-UHFFFAOYSA-N 1 0 282.387 2.326 40 0 CEABRO C1=C[C@@H]2C[C@H]1C[C@@H]2C[NH+]1CCN(Cc2ccncc2)CC1 ZINC000169793882 367371362 /nfs/dbraw/zinc/37/13/62/367371362.db2.gz PRYFOBKVCOFJMK-RCCFBDPRSA-N 1 0 283.419 2.411 40 0 CEABRO C[NH+](C)CCCNC(=S)Nc1c(F)cccc1F ZINC000225402297 189749307 /nfs/dbraw/zinc/74/93/07/189749307.db2.gz JSCFVPMLFILKGX-UHFFFAOYSA-N 1 0 273.352 2.203 40 0 CEABRO S=C(NCCC[NH+]1CCCCC1)Nc1ccncc1 ZINC000225411624 370292358 /nfs/dbraw/zinc/29/23/58/370292358.db2.gz GGNMPDISLPLITJ-UHFFFAOYSA-N 1 0 278.425 2.244 40 0 CEABRO CCn1c(Cl)nc2cc(C(=O)NCC[NH+](C)C)ccc21 ZINC000225987775 370327534 /nfs/dbraw/zinc/32/75/34/370327534.db2.gz DKNJYEXTCFKKKN-UHFFFAOYSA-N 1 0 294.786 2.001 40 0 CEABRO C[NH+]1CCC2(CC1)OCC[C@H]2CCOCc1cccnc1 ZINC000248080418 371160000 /nfs/dbraw/zinc/16/00/00/371160000.db2.gz PEAKZVUUXCWFSI-MRXNPFEDSA-N 1 0 290.407 2.489 40 0 CEABRO C[N@@H+]1CCC[C@H](c2cnc(N3C(=O)OCC3(C)C)cn2)C1 ZINC000257271770 371610933 /nfs/dbraw/zinc/61/09/33/371610933.db2.gz MZSJKJUMUWFJDB-NSHDSACASA-N 1 0 290.367 2.021 40 0 CEABRO CN(C(=O)c1cccn1C)[C@H]1CCCN(c2ccccn2)C1 ZINC000257279485 371611419 /nfs/dbraw/zinc/61/14/19/371611419.db2.gz OGWVNACUCKCMOY-AWEZNQCLSA-N 1 0 298.390 2.161 40 0 CEABRO CCOCC(=O)N1CCC(Cc2ccnc(C)c2)CC1 ZINC000257330532 371613020 /nfs/dbraw/zinc/61/30/20/371613020.db2.gz XOTUHOPEMKWLJE-UHFFFAOYSA-N 1 0 276.380 2.208 40 0 CEABRO FC(F)Cn1cc(C[NH2+]Cc2ccccc2)cn1 ZINC000256050408 190003126 /nfs/dbraw/zinc/00/31/26/190003126.db2.gz DWWJIOVZDVFOLR-UHFFFAOYSA-N 1 0 251.280 2.438 40 0 CEABRO Cc1ncccc1Oc1nccnc1C1CC[NH2+]CC1 ZINC000257198301 190010456 /nfs/dbraw/zinc/01/04/56/190010456.db2.gz YIPHBAXGLXZPCH-UHFFFAOYSA-N 1 0 270.336 2.439 40 0 CEABRO COCC[NH+]1CCC(c2cccc(-c3cc[nH]n3)n2)CC1 ZINC000257208950 190012701 /nfs/dbraw/zinc/01/27/01/190012701.db2.gz BOFICRWBNGMTLM-UHFFFAOYSA-N 1 0 286.379 2.298 40 0 CEABRO CCCn1cc(C[N@@H+]2CC[C@@H](c3cc[nH]n3)C2)cn1 ZINC000257214042 190012871 /nfs/dbraw/zinc/01/28/71/190012871.db2.gz CKGUYASJBXCIDJ-CYBMUJFWSA-N 1 0 259.357 2.006 40 0 CEABRO Cn1nccc1-c1cc(C[C@@H]2CCC[NH2+]C2)ccn1 ZINC000257212182 190013063 /nfs/dbraw/zinc/01/30/63/190013063.db2.gz CCGVSXUPIJDSKL-ZDUSSCGKSA-N 1 0 256.353 2.024 40 0 CEABRO Cc1noc(C)c1-c1nccnc1C[C@@H]1CCC[NH2+]C1 ZINC000257227682 190015777 /nfs/dbraw/zinc/01/57/77/190015777.db2.gz FQKNAYLQBOODHA-LBPRGKRZSA-N 1 0 272.352 2.291 40 0 CEABRO c1nc2ccccc2n1-c1cc(C[C@@H]2CCC[NH2+]C2)ncn1 ZINC000257228635 190016275 /nfs/dbraw/zinc/01/62/75/190016275.db2.gz FUQQFSBZNSSQMW-ZDUSSCGKSA-N 1 0 293.374 2.358 40 0 CEABRO CC(C)[NH+]1CCC(c2nccnc2-c2ccnn2C)CC1 ZINC000257228749 190016354 /nfs/dbraw/zinc/01/63/54/190016354.db2.gz FVBJYFQUZACGNK-UHFFFAOYSA-N 1 0 285.395 2.465 40 0 CEABRO CN(C)Cc1ccnc([C@H]2CCC[N@@H+]2CC2CC2)n1 ZINC000257228676 190016534 /nfs/dbraw/zinc/01/65/34/190016534.db2.gz FUVAHSUXRXKFDR-CQSZACIVSA-N 1 0 260.385 2.085 40 0 CEABRO CNc1cc([C@@H]2CCC[N@@H+]2Cc2[nH]cnc2C)ccn1 ZINC000257231989 190017235 /nfs/dbraw/zinc/01/72/35/190017235.db2.gz GIXUGJDOBGBFQL-AWEZNQCLSA-N 1 0 271.368 2.492 40 0 CEABRO Cc1noc(C)c1-c1cncc(CC[C@H]2CCC[NH2+]2)n1 ZINC000257238615 190017630 /nfs/dbraw/zinc/01/76/30/190017630.db2.gz HLUWLAAMMXGDNU-GFCCVEGCSA-N 1 0 272.352 2.433 40 0 CEABRO OCC[NH+]1CCC(c2cccc(Nc3ccccn3)n2)CC1 ZINC000257264129 190022917 /nfs/dbraw/zinc/02/29/17/190022917.db2.gz LTBAHALKEYOODQ-UHFFFAOYSA-N 1 0 298.390 2.392 40 0 CEABRO Cc1cc(-c2cccc(CC3CC[NH2+]CC3)n2)n[nH]1 ZINC000257268953 190023933 /nfs/dbraw/zinc/02/39/33/190023933.db2.gz MNXSTQBREWRIMB-UHFFFAOYSA-N 1 0 256.353 2.322 40 0 CEABRO C[C@]1(O)C[N@H+](Cc2ccncc2)CC[C@@H]1Oc1ccccc1 ZINC000257259825 190022673 /nfs/dbraw/zinc/02/26/73/190022673.db2.gz LAFGVYXNQQRGGW-ROUUACIJSA-N 1 0 298.386 2.486 40 0 CEABRO CNc1cc([C@@H]2CCC[N@@H+]2C2CCN(C)CC2)ccn1 ZINC000257288059 190026861 /nfs/dbraw/zinc/02/68/61/190026861.db2.gz PSQFEDQOAPGJOK-HNNXBMFYSA-N 1 0 274.412 2.354 40 0 CEABRO Cc1nccc(CN2CC[N@@H+](C)[C@H](c3ccccc3)C2)n1 ZINC000257284915 190026985 /nfs/dbraw/zinc/02/69/85/190026985.db2.gz PEVKAHAWXKZGSN-KRWDZBQOSA-N 1 0 282.391 2.274 40 0 CEABRO CNC(=O)[C@]1(C)C[N@H+](Cc2ccc3ccccc3c2)CCO1 ZINC000257301884 190030463 /nfs/dbraw/zinc/03/04/63/190030463.db2.gz SAJQHKPIUJAOEB-SFHVURJKSA-N 1 0 298.386 2.177 40 0 CEABRO Cc1cc(C)nc(Nc2cncc([C@@H]3CCC[NH2+]C3)n2)n1 ZINC000257329735 190034516 /nfs/dbraw/zinc/03/45/16/190034516.db2.gz XLHSYRGVOKBHAK-GFCCVEGCSA-N 1 0 284.367 2.094 40 0 CEABRO Cc1cc(C)nc(Nc2cc(C)nc([C@H]3CCC[NH2+]C3)n2)n1 ZINC000257329894 190034888 /nfs/dbraw/zinc/03/48/88/190034888.db2.gz XLYGITNWGIZSPF-ZDUSSCGKSA-N 1 0 298.394 2.402 40 0 CEABRO CCc1cc(C(=O)N2CC[NH2+]C[C@@H]2c2ccccc2)on1 ZINC000257332530 190035504 /nfs/dbraw/zinc/03/55/04/190035504.db2.gz XXRLAFCNLGNOSB-CQSZACIVSA-N 1 0 285.347 2.024 40 0 CEABRO O=C(NC[C@@H]1CCCC[NH2+]C1)OCc1ccccc1 ZINC000261507214 190039989 /nfs/dbraw/zinc/03/99/89/190039989.db2.gz GMKHHBJBFHHQBW-CQSZACIVSA-N 1 0 262.353 2.303 40 0 CEABRO CCC[N@@H+]1C[C@@H]2CC[C@@]3(CC(C)=NN3C(C)=O)[C@@H]2C1 ZINC000306134561 376541628 /nfs/dbraw/zinc/54/16/28/376541628.db2.gz NRUNORKAOHBWII-RRFJBIMHSA-N 1 0 263.385 2.105 40 0 CEABRO COc1ccc(CCN2CC[NH2+][C@@H]3CCCC[C@H]32)cc1 ZINC000218830756 394457407 /nfs/dbraw/zinc/45/74/07/394457407.db2.gz JXGRNVWDZAPPFU-IAGOWNOFSA-N 1 0 274.408 2.454 40 0 CEABRO CC(C)[N@@H+]1C[C@H]2N(C)C(=O)c3ccccc3C(=O)[C@@]2(C)C1 ZINC000019448641 394468045 /nfs/dbraw/zinc/46/80/45/394468045.db2.gz HVLSZXJEGDWXPS-PBHICJAKSA-N 1 0 286.375 2.054 40 0 CEABRO CCN(CC)[C@@H](C[NH3+])c1c(OC)cc(OC)cc1OC ZINC000036961674 394495627 /nfs/dbraw/zinc/49/56/27/394495627.db2.gz LQVFRKXKTKPBPZ-LBPRGKRZSA-N 1 0 282.384 2.054 40 0 CEABRO CSc1ncc(C[NH2+]CCCOC(C)C)cn1 ZINC000062717252 394570664 /nfs/dbraw/zinc/57/06/64/394570664.db2.gz BSEWJTHJINZAAX-UHFFFAOYSA-N 1 0 255.387 2.103 40 0 CEABRO C[N@@H+]1CCCC[C@@H]1c1ccc(N2CCOCC2)nc1 ZINC000072216176 394593571 /nfs/dbraw/zinc/59/35/71/394593571.db2.gz PGFVPJUPXFNDRH-CQSZACIVSA-N 1 0 261.369 2.075 40 0 CEABRO C[N@@H+]1C[C@H](c2ccccc2)[C@H]2CN(Cc3c[nH]cn3)CC[C@H]21 ZINC000257315175 394595387 /nfs/dbraw/zinc/59/53/87/394595387.db2.gz VAFMSOPWMWQPML-KZNAEPCWSA-N 1 0 296.418 2.329 40 0 CEABRO CC(C)(C)OC(=O)N1CCC([NH3+])(Cc2cccnc2)CC1 ZINC000096029436 394676018 /nfs/dbraw/zinc/67/60/18/394676018.db2.gz KSIHUMPQFCIHTN-UHFFFAOYSA-N 1 0 291.395 2.353 40 0 CEABRO CC[C@H]([C@H]([NH3+])c1ccccc1C)S(=O)(=O)CC ZINC000096524968 394697122 /nfs/dbraw/zinc/69/71/22/394697122.db2.gz JHGWRWDTBYPKKB-CHWSQXEVSA-N 1 0 255.383 2.208 40 0 CEABRO Clc1ccc(-c2nsc(N3CC[NH2+]CC3)n2)cc1 ZINC000143872622 394973185 /nfs/dbraw/zinc/97/31/85/394973185.db2.gz LOYFASFXSZKNGO-UHFFFAOYSA-N 1 0 280.784 2.268 40 0 CEABRO C[C@@H]1CCCN([C@H](C[NH3+])c2ccc3c(c2)CCO3)C1 ZINC000242547703 400315144 /nfs/dbraw/zinc/31/51/44/400315144.db2.gz KTBRIIPUKAOJDI-IUODEOHRSA-N 1 0 260.381 2.353 40 0 CEABRO Cc1cc(N2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)ncn1 ZINC000359893614 155162618 /nfs/dbraw/zinc/16/26/18/155162618.db2.gz BBFNVPBISXVUNP-IAGOWNOFSA-N 1 0 294.402 2.353 40 0 CEABRO COc1ccc(CN2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cc1 ZINC000019575750 286309499 /nfs/dbraw/zinc/30/94/99/286309499.db2.gz YIBMDJHUYQYHFA-DZGCQCFKSA-N 1 0 260.381 2.364 40 0 CEABRO CCOc1ccc(C(=O)NCCC[NH+](C)C)cc1OCC ZINC000005466469 170101924 /nfs/dbraw/zinc/10/19/24/170101924.db2.gz REMKHNKYRXTMJA-UHFFFAOYSA-N 1 0 294.395 2.166 40 0 CEABRO O[C@H](COc1ccccc1F)C[NH+]1CCCCCC1 ZINC000006528788 170210874 /nfs/dbraw/zinc/21/08/74/170210874.db2.gz PJRITBUGJSHFIA-ZDUSSCGKSA-N 1 0 267.344 2.441 40 0 CEABRO COC(=O)c1ccc(-c2ccc(C[NH2+]C[C@@H](C)O)o2)cc1 ZINC000007538958 170290312 /nfs/dbraw/zinc/29/03/12/170290312.db2.gz SIGDONFLROUBLS-LLVKDONJSA-N 1 0 289.331 2.204 40 0 CEABRO O=C(COc1ccc(Cl)cc1)NCCC[NH+]1CCCC1 ZINC000013647651 170572804 /nfs/dbraw/zinc/57/28/04/170572804.db2.gz SLCAEYXRZOLSBD-UHFFFAOYSA-N 1 0 296.798 2.321 40 0 CEABRO COc1cccc([C@@H](C[NH3+])N2CCC[C@@H](C)C2)c1OC ZINC000022165035 171365276 /nfs/dbraw/zinc/36/52/76/171365276.db2.gz IBVVTNVBRHXFIS-TZMCWYRMSA-N 1 0 278.396 2.436 40 0 CEABRO CCOc1ccc([C@H](C[NH3+])N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000022166635 171366357 /nfs/dbraw/zinc/36/63/57/171366357.db2.gz KZMZFCSIRMTEJX-ZENOOKHLSA-N 1 0 278.396 2.194 40 0 CEABRO CCOc1ccccc1[C@@H](C[NH3+])N1C[C@H](C)O[C@@H](C)C1 ZINC000022169657 171367352 /nfs/dbraw/zinc/36/73/52/171367352.db2.gz KUHBBCHKJVKJPO-KCQAQPDRSA-N 1 0 278.396 2.194 40 0 CEABRO Cc1cc(C)n(CN2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000022466555 171388577 /nfs/dbraw/zinc/38/85/77/171388577.db2.gz ZJNVVRZXDOPNKI-UHFFFAOYSA-N 1 0 284.407 2.275 40 0 CEABRO CCCC[C@H]1CN(Cc2ccc(C(=O)OC)cc2)CC[NH2+]1 ZINC000039952521 174177263 /nfs/dbraw/zinc/17/72/63/174177263.db2.gz XCVCBVGWMPTVNU-INIZCTEOSA-N 1 0 290.407 2.437 40 0 CEABRO O=C(C[NH+]1CCCC1)N1CCC[C@H]1c1nc2ccccc2[nH]1 ZINC000072346726 176372993 /nfs/dbraw/zinc/37/29/93/176372993.db2.gz KKJHMIZVTFRYDG-HNNXBMFYSA-N 1 0 298.390 2.322 40 0 CEABRO Cc1cc(N(C)C)nc(C2CC[NH+](C(C)C)CC2)n1 ZINC000072356724 176375999 /nfs/dbraw/zinc/37/59/99/176375999.db2.gz WHBPARZTPMBPKO-UHFFFAOYSA-N 1 0 262.401 2.439 40 0 CEABRO Cc1cc(C)nc(Nc2nccnc2C2CC[NH+](C)CC2)n1 ZINC000072363432 176377877 /nfs/dbraw/zinc/37/78/77/176377877.db2.gz XFSQRPBRUXUBIE-UHFFFAOYSA-N 1 0 298.394 2.436 40 0 CEABRO CNC(=O)[C@]1(C)CCC[N@H+](CCc2ccccc2)C1 ZINC000072363745 176378544 /nfs/dbraw/zinc/37/85/44/176378544.db2.gz QWHWSTJRZRVUHJ-MRXNPFEDSA-N 1 0 260.381 2.077 40 0 CEABRO Cc1cc(NC2CCOCC2)nc([C@H]2CCC[N@@H+](C)C2)n1 ZINC000072365462 176380394 /nfs/dbraw/zinc/38/03/94/176380394.db2.gz SZONHBDAEGUMNU-ZDUSSCGKSA-N 1 0 290.411 2.185 40 0 CEABRO Cn1nccc1CC1CC[NH+](CC2(O)CCCCC2)CC1 ZINC000072366739 176381847 /nfs/dbraw/zinc/38/18/47/176381847.db2.gz QDQDWGUQBJEENT-UHFFFAOYSA-N 1 0 291.439 2.370 40 0 CEABRO Cc1cncc([C@@H]2CCC[N@@H+](C3CCOCC3)C2)n1 ZINC000072385940 176391211 /nfs/dbraw/zinc/39/12/11/176391211.db2.gz IXRXFQLOFAIQGV-CYBMUJFWSA-N 1 0 261.369 2.143 40 0 CEABRO O=C(NC1CCCC1)c1cc(C2CC[NH2+]CC2)ccn1 ZINC000072387005 176392757 /nfs/dbraw/zinc/39/27/57/176392757.db2.gz RCIUQJLCVWRXMI-UHFFFAOYSA-N 1 0 273.380 2.221 40 0 CEABRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1coc2ccccc2c1=O ZINC000072397546 176394812 /nfs/dbraw/zinc/39/48/12/176394812.db2.gz AUCJMMXJAUJMQV-UKRRQHHQSA-N 1 0 298.386 2.462 40 0 CEABRO CSc1ccc(CN2C[C@H]3C[C@@H](O)C[N@@H+]3C[C@@H]2C)cc1 ZINC000072397602 176394929 /nfs/dbraw/zinc/39/49/29/176394929.db2.gz QERHHOFNCGADLU-NWANDNLSSA-N 1 0 292.448 2.048 40 0 CEABRO COc1ccc([C@H]2C[C@H](C)[N@@H+]([C@@H]3CCOC3=O)C2)cc1 ZINC000076393312 177014147 /nfs/dbraw/zinc/01/41/47/177014147.db2.gz MMFOAHXNTPHLHP-CORIIIEPSA-N 1 0 275.348 2.189 40 0 CEABRO C[NH2+]C[C@@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000079437118 177490154 /nfs/dbraw/zinc/49/01/54/177490154.db2.gz UWMPGXUYXQOFBY-AWEZNQCLSA-N 1 0 262.353 2.397 40 0 CEABRO CC(=O)Nc1nc(C)c(CCC(C)C)c(SC(N)=[NH2+])n1 ZINC000005181868 273495087 /nfs/dbraw/zinc/49/50/87/273495087.db2.gz YMZCICJEOZSFML-UHFFFAOYSA-N 1 0 295.412 2.318 40 0 CEABRO O=C(OCc1ccccc1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000091297072 275003061 /nfs/dbraw/zinc/00/30/61/275003061.db2.gz HNPMBBZXQQFXNW-INIZCTEOSA-N 1 0 274.364 2.399 40 0 CEABRO CC(=O)N1CCC([NH2+][C@H]2CCC[C@@H](C)[C@H]2C)CC1 ZINC000032917423 276959335 /nfs/dbraw/zinc/95/93/35/276959335.db2.gz ZPLRHLITMOXCRU-JMSVASOKSA-N 1 0 252.402 2.412 40 0 CEABRO CC(C)N(C(=O)OC(C)(C)C)[C@@H]1CCCN(CC[NH3+])C1 ZINC000079408526 277530708 /nfs/dbraw/zinc/53/07/08/277530708.db2.gz QVTYZWUMEQLEJZ-CYBMUJFWSA-N 1 0 285.432 2.055 40 0 CEABRO CC(C)(C)OC(=O)N1CCC2(CC1)C[NH2+]C1(CCC1)CO2 ZINC000306146001 278383322 /nfs/dbraw/zinc/38/33/22/278383322.db2.gz YUYLGCXKUOQTNW-UHFFFAOYSA-N 1 0 296.411 2.299 40 0 CEABRO CC(C)(C)OC(=O)N1CCCC[C@H]1CSCC[NH3+] ZINC000079392238 278388343 /nfs/dbraw/zinc/38/83/43/278388343.db2.gz MDGGALZNGGIKFK-NSHDSACASA-N 1 0 274.430 2.468 40 0 CEABRO OCC[NH+](CCO)[C@@H](Cc1ccccc1)c1ccccc1 ZINC000001664784 304824904 /nfs/dbraw/zinc/82/49/04/304824904.db2.gz KYKJAPSXLBLFQD-SFHVURJKSA-N 1 0 285.387 2.257 40 0 CEABRO c1ccc(CO[C@@H]2CC[C@H]3[C@H]2OCC[N@@H+]3CC2CC2)nc1 ZINC000096041829 185070784 /nfs/dbraw/zinc/07/07/84/185070784.db2.gz AYYQNIQQKXIDSI-GVDBMIGSSA-N 1 0 288.391 2.240 40 0 CEABRO c1cc(CN2CC3(C2)CC[N@H+](Cc2ccncc2)C3)co1 ZINC000096046427 185071392 /nfs/dbraw/zinc/07/13/92/185071392.db2.gz QKLASLDRBAJQMO-UHFFFAOYSA-N 1 0 283.375 2.383 40 0 CEABRO CCO[C@H]1COC2(C1)CC[NH+](Cc1ccncc1)CC2 ZINC000096048106 185072736 /nfs/dbraw/zinc/07/27/36/185072736.db2.gz JPGOAQWCYBOEQZ-OAHLLOKOSA-N 1 0 276.380 2.242 40 0 CEABRO O=C1CC[C@]2(CCC[N@H+](Cc3cccs3)CC2)N1 ZINC000096047437 185073181 /nfs/dbraw/zinc/07/31/81/185073181.db2.gz LPHLDWYPNPQVAS-AWEZNQCLSA-N 1 0 264.394 2.383 40 0 CEABRO Cc1cc(C[C@@H]2COC[C@H]2[NH2+]Cc2cccc(F)c2)on1 ZINC000019120662 343374086 /nfs/dbraw/zinc/37/40/86/343374086.db2.gz ONIJILMSIMSFRE-CZUORRHYSA-N 1 0 290.338 2.469 40 0 CEABRO c1csc([C@H](C2CCOCC2)N2CC[NH2+]CC2)c1 ZINC000076703775 343895913 /nfs/dbraw/zinc/89/59/13/343895913.db2.gz SMTZRGXVQVTDGF-AWEZNQCLSA-N 1 0 266.410 2.121 40 0 CEABRO Cc1ccc([C@@H](C[NH3+])N2C[C@H](C)O[C@@H](C)C2)cc1C ZINC000224155932 344543649 /nfs/dbraw/zinc/54/36/49/344543649.db2.gz CMKDMFWNQQCGKG-OFQRWUPVSA-N 1 0 262.397 2.412 40 0 CEABRO [NH3+]Cc1cn(Cc2ccc(Cl)cc2Cl)nn1 ZINC000050224497 362411050 /nfs/dbraw/zinc/41/10/50/362411050.db2.gz HWPKJZXPFUYOBC-UHFFFAOYSA-N 1 0 257.124 2.092 40 0 CEABRO Cc1nnc2n1[C@H]1C[N@@H+](Cc3cccs3)C[C@H]1CC2 ZINC000019288371 282365637 /nfs/dbraw/zinc/36/56/37/282365637.db2.gz PQLQAVDKVYSRTE-YPMHNXCESA-N 1 0 274.393 2.267 40 0 CEABRO Cc1nc(-c2cnc3ccc(Cl)cn32)cc(C2C[NH2+]C2)n1 ZINC000585263078 345009161 /nfs/dbraw/zinc/00/91/61/345009161.db2.gz IWHGEDXDRROFDO-UHFFFAOYSA-N 1 0 299.765 2.440 40 0 CEABRO Cc1ccc(-c2ccc3nnc([C@H](C)[NH3+])n3n2)cc1C ZINC000058021770 362606134 /nfs/dbraw/zinc/60/61/34/362606134.db2.gz QMTMDXWAOIIATA-NSHDSACASA-N 1 0 267.336 2.428 40 0 CEABRO [NH3+][C@H]1CC(=O)N(C2CCCCC2)[C@H]1c1cccnc1 ZINC000062211080 362714807 /nfs/dbraw/zinc/71/48/07/362714807.db2.gz DEVQHIRVQKIZIX-ZFWWWQNUSA-N 1 0 259.353 2.015 40 0 CEABRO C[NH2+][C@@H]1CN(Cc2ccccc2)C[C@@H]1C(F)(F)F ZINC000090505440 179994594 /nfs/dbraw/zinc/99/45/94/179994594.db2.gz VNRMUCLKUFOUET-NWDGAFQWSA-N 1 0 258.287 2.269 40 0 CEABRO Cc1ccc(CN2C[C@@H]3C[N@H+]([C@H]4CCOC4)C[C@@H]3C2)cc1 ZINC000107196341 186162357 /nfs/dbraw/zinc/16/23/57/186162357.db2.gz MFMWQNLJODQSEO-KSZLIROESA-N 1 0 286.419 2.148 40 0 CEABRO CCOC(=O)c1ccccc1NC(=O)C1CC[NH+](C)CC1 ZINC000073381370 363215125 /nfs/dbraw/zinc/21/51/25/363215125.db2.gz UUINOISAVJMTNZ-UHFFFAOYSA-N 1 0 290.363 2.144 40 0 CEABRO C[NH+]1CCC(C(=O)Nc2ccc(F)cc2F)CC1 ZINC000074713435 363374991 /nfs/dbraw/zinc/37/49/91/363374991.db2.gz RDXHPWMGEBUZNN-UHFFFAOYSA-N 1 0 254.280 2.245 40 0 CEABRO Clc1cc(NCCC2CC[NH2+]CC2)nc(CC2CC2)n1 ZINC000328984472 202139031 /nfs/dbraw/zinc/13/90/31/202139031.db2.gz HMTWQYVSCJRPKU-UHFFFAOYSA-N 1 0 294.830 2.306 40 0 CEABRO CC(C)[N@@H+](CC(=O)[O-])C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000079393419 363594626 /nfs/dbraw/zinc/59/46/26/363594626.db2.gz LVLBVBVGFMOPGJ-INIZCTEOSA-N 1 0 290.407 2.304 40 0 CEABRO CCCCC[NH2+]C[C@H](O)Cc1ccccc1OC ZINC000001669908 361215292 /nfs/dbraw/zinc/21/52/92/361215292.db2.gz DRWJQERZILEBJB-CQSZACIVSA-N 1 0 251.370 2.378 40 0 CEABRO CC[NH+](CC)C[C@H](O)c1ccnc2c(O)cccc12 ZINC000001709727 361218839 /nfs/dbraw/zinc/21/88/39/361218839.db2.gz MTNZAVIBHKMWPO-AWEZNQCLSA-N 1 0 260.337 2.316 40 0 CEABRO CC(=O)Nc1ccc(C[NH2+]Cc2ccncc2)cc1 ZINC000004244936 361307287 /nfs/dbraw/zinc/30/72/87/361307287.db2.gz MVMPKAPWEXNKCI-UHFFFAOYSA-N 1 0 255.321 2.330 40 0 CEABRO Clc1ccc(Cl)c(OC[C@H]2C[NH2+]CCO2)c1 ZINC000011587464 361359839 /nfs/dbraw/zinc/35/98/39/361359839.db2.gz BTZVNANVWQUSLS-SECBINFHSA-N 1 0 262.136 2.361 40 0 CEABRO C[N@@H+]1CCC[C@@H](C(=O)NCCC2=CCCCC2)C1 ZINC000082301897 363761619 /nfs/dbraw/zinc/76/16/19/363761619.db2.gz MIRUCWZIVVLJBW-CQSZACIVSA-N 1 0 250.386 2.335 40 0 CEABRO C[NH+](C)CCNC(=O)/C(=C/c1ccco1)c1ccccc1 ZINC000013632527 361434241 /nfs/dbraw/zinc/43/42/41/361434241.db2.gz NRPGYSYGBZPPRN-DTQAZKPQSA-N 1 0 284.359 2.498 40 0 CEABRO Cc1cccc(O[C@H](C)C(=O)NCCC[NH+]2CCCC2)c1 ZINC000013632590 361434829 /nfs/dbraw/zinc/43/48/29/361434829.db2.gz LXPNKNUDEAEREY-OAHLLOKOSA-N 1 0 290.407 2.364 40 0 CEABRO CCCCCO[C@H]1NC(=[NH2+])Nc2nc3ccccc3n21 ZINC000016638554 361494046 /nfs/dbraw/zinc/49/40/46/361494046.db2.gz CONIABCENIXIKP-AWEZNQCLSA-N 1 0 273.340 2.249 40 0 CEABRO CC(=O)N1C[C@H]2CCC[N@H+](Cc3ccc(F)cc3)[C@H]2C1 ZINC000019019584 361519271 /nfs/dbraw/zinc/51/92/71/361519271.db2.gz WITUKUBOMUSWGC-ZBFHGGJFSA-N 1 0 276.355 2.268 40 0 CEABRO O=C(NC1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1cccc(F)c1 ZINC000019293599 361526746 /nfs/dbraw/zinc/52/67/46/361526746.db2.gz BEHZGMKOOPKACL-PBWFPOADSA-N 1 0 262.328 2.229 40 0 CEABRO Cc1c(C[N@@H+]2CC[C@@H](CO)C2)cnn1Cc1ccccc1 ZINC000019554513 361543554 /nfs/dbraw/zinc/54/35/54/361543554.db2.gz OSMQXVRCEJBKQR-MRXNPFEDSA-N 1 0 285.391 2.054 40 0 CEABRO O=C1CC[C@@]2(c3ccccc3)[NH2+][C@H]3CCCC[C@@H]3N12 ZINC000020503096 361583551 /nfs/dbraw/zinc/58/35/51/361583551.db2.gz QSDUYCSKFAKVPE-OFQRWUPVSA-N 1 0 256.349 2.376 40 0 CEABRO C(OC[C@@]12CCO[C@@H]1CC[N@@H+](C1CCC1)C2)C1CC1 ZINC000096217251 364413439 /nfs/dbraw/zinc/41/34/39/364413439.db2.gz MBHRJQATOPOUAY-CVEARBPZSA-N 1 0 265.397 2.447 40 0 CEABRO O=C(c1ccc(F)cc1)N1CCC2(CCC[NH2+]C2)CC1 ZINC000096268846 364420063 /nfs/dbraw/zinc/42/00/63/364420063.db2.gz RXJVOBZUBSKMKP-UHFFFAOYSA-N 1 0 276.355 2.432 40 0 CEABRO [NH3+][C@H]1CC[C@H](NC(=O)c2cccc(Br)c2)CC1 ZINC000100809924 364550764 /nfs/dbraw/zinc/55/07/64/364550764.db2.gz OYWYYMCGGOKTGL-TXEJJXNPSA-N 1 0 297.196 2.449 40 0 CEABRO COc1ccc(C2=CNC(C(F)(F)F)=C[C@@H]2[NH3+])cc1 ZINC000101027457 364553837 /nfs/dbraw/zinc/55/38/37/364553837.db2.gz SKCOAIUEIJDDRM-NSHDSACASA-N 1 0 270.254 2.413 40 0 CEABRO COCC[C@@H]1CCOC12CC[NH+](Cc1ccccn1)CC2 ZINC000585102598 367177143 /nfs/dbraw/zinc/17/71/43/367177143.db2.gz BSIGCIBOYNOWIZ-OAHLLOKOSA-N 1 0 290.407 2.489 40 0 CEABRO CC[C@H](C)[N@@H+]1CCC[C@]2(CN(Cc3cncs3)C2=O)C1 ZINC000585099713 367177770 /nfs/dbraw/zinc/17/77/70/367177770.db2.gz ZJARAEIXWPJORA-SWLSCSKDSA-N 1 0 293.436 2.366 40 0 CEABRO C[C@]1([NH3+])CN(Cc2ccccc2)C[C@@H]1C(F)(F)F ZINC000199548440 370148981 /nfs/dbraw/zinc/14/89/81/370148981.db2.gz GLKCPTSZDCRGOB-RYUDHWBXSA-N 1 0 258.287 2.398 40 0 CEABRO COC(=O)[C@@H]1C[N@H+](C)C[C@@H]1c1ccc(Cl)cc1 ZINC000209230680 370159837 /nfs/dbraw/zinc/15/98/37/370159837.db2.gz VXRLOWUNYIQIGZ-VXGBXAGGSA-N 1 0 253.729 2.158 40 0 CEABRO c1ccc(-c2ccc3nnc([C@@H]4CCC[NH2+]C4)n3n2)cc1 ZINC000217560345 370196679 /nfs/dbraw/zinc/19/66/79/370196679.db2.gz JJGDOGCQZIOKBX-CYBMUJFWSA-N 1 0 279.347 2.258 40 0 CEABRO Cc1ccc(-c2ccc3nnc([C@H]4CC[NH2+]C4)n3n2)cc1 ZINC000217557876 370196866 /nfs/dbraw/zinc/19/68/66/370196866.db2.gz KANTUZROUPIWKS-ZDUSSCGKSA-N 1 0 279.347 2.177 40 0 CEABRO COc1ccccc1CCNC(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000230293971 370451668 /nfs/dbraw/zinc/45/16/68/370451668.db2.gz PORPMUBLYNLMKT-HNNXBMFYSA-N 1 0 290.407 2.132 40 0 CEABRO C[C@@]1(C(F)(F)F)CN(Cc2ccccc2)C[C@H]1[NH3+] ZINC000253380196 371511297 /nfs/dbraw/zinc/51/12/97/371511297.db2.gz CZGZLVAKCFYPMR-VXGBXAGGSA-N 1 0 258.287 2.398 40 0 CEABRO c1cc(CN2CC[N@@H+]3C[C@H](OCC4CC4)C[C@H]3C2)cs1 ZINC000253588907 371530095 /nfs/dbraw/zinc/53/00/95/371530095.db2.gz YPRUUDNUVOBELJ-JKSUJKDBSA-N 1 0 292.448 2.433 40 0 CEABRO Cc1csc(C(=O)N2CCOC[C@@H]2c2nc(C)c[nH]2)c1 ZINC000257337651 371613159 /nfs/dbraw/zinc/61/31/59/371613159.db2.gz YTTQGYQIPATQDN-LLVKDONJSA-N 1 0 291.376 2.302 40 0 CEABRO CC(C)OCCC[NH2+]Cc1cnn(CC(F)F)c1 ZINC000256053648 190004949 /nfs/dbraw/zinc/00/49/49/190004949.db2.gz SGPGRBRRFYJJEG-UHFFFAOYSA-N 1 0 261.316 2.053 40 0 CEABRO CC(C)Cn1nccc1C[NH2+]CCCOC(C)C ZINC000256050893 190003029 /nfs/dbraw/zinc/00/30/29/190003029.db2.gz GXLSEKQZZLTQLI-UHFFFAOYSA-N 1 0 253.390 2.444 40 0 CEABRO Cc1c(C[NH2+]Cc2cnn(C(C)C)c2C)cnn1C ZINC000256050469 190003052 /nfs/dbraw/zinc/00/30/52/190003052.db2.gz 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C[C@@H]1CC[NH2+]CC[C@@H]1NC(=O)OCc1ccccc1 ZINC000261507377 190040124 /nfs/dbraw/zinc/04/01/24/190040124.db2.gz HWLRDBIWEWMSFI-OCCSQVGLSA-N 1 0 262.353 2.301 40 0 CEABRO C[C@@H]1C[C@H](C[NH3+])CN(C(=O)OCc2ccccc2)C1 ZINC000261509023 190040588 /nfs/dbraw/zinc/04/05/88/190040588.db2.gz ZCTLPMZIDJNCMP-TZMCWYRMSA-N 1 0 262.353 2.240 40 0 CEABRO COC[C@H]1CC[N@H+](C)C2(CN(C(=O)C3=CCCCC3)C2)C1 ZINC000306134436 376539765 /nfs/dbraw/zinc/53/97/65/376539765.db2.gz NNIFZLIKCYABEH-AWEZNQCLSA-N 1 0 292.423 2.056 40 0 CEABRO O=C(Nc1cccc(Cl)c1)C1=NO[C@@]2(C1)CCC[NH2+]C2 ZINC000306127184 376541392 /nfs/dbraw/zinc/54/13/92/376541392.db2.gz FRCDLFWAQNTLER-CQSZACIVSA-N 1 0 293.754 2.177 40 0 CEABRO O=C1c2cc(Br)ccc2CN1[C@H]1CCC[NH2+]C1 ZINC000095097797 285014094 /nfs/dbraw/zinc/01/40/94/285014094.db2.gz CHSDGSHWTUEJHC-NSHDSACASA-N 1 0 295.180 2.157 40 0 CEABRO O=S1(=O)c2ccc(-c3ccsc3)cc2[C@H]2C[NH2+]C[C@H]21 ZINC000306143100 285074628 /nfs/dbraw/zinc/07/46/28/285074628.db2.gz XTHKFOQQZHVBNJ-TZMCWYRMSA-N 1 0 291.397 2.258 40 0 CEABRO CC[C@H]([NH3+])c1cnc(I)cc1C ZINC000072225990 256703498 /nfs/dbraw/zinc/70/34/98/256703498.db2.gz QENGQTWYVSLWAX-QMMMGPOBSA-N 1 0 276.121 2.404 40 0 CEABRO Cc1cc(C2=[NH+]CCCC2)cnc1N1CCOCC1 ZINC000072219351 256707714 /nfs/dbraw/zinc/70/77/14/256707714.db2.gz CYYMBLOGCOCXMT-UHFFFAOYSA-N 1 0 259.353 2.200 40 0 CEABRO Cc1ccsc1C[N@@H+]1CCc2nc(C)[nH]c(=O)c2CC1 ZINC000019238703 394468589 /nfs/dbraw/zinc/46/85/89/394468589.db2.gz KNWZUHJZFOXOSC-UHFFFAOYSA-N 1 0 289.404 2.049 40 0 CEABRO C[N@@H+]1CC[C@]2(CN(Cc3cccnc3)c3cccnc32)C1 ZINC000306130305 394513854 /nfs/dbraw/zinc/51/38/54/394513854.db2.gz JBYCANWEQZACIQ-QGZVFWFLSA-N 1 0 280.375 2.070 40 0 CEABRO C[C@@H]([NH2+]Cc1cccnc1)C(=O)Nc1ccccc1 ZINC000020299700 394472623 /nfs/dbraw/zinc/47/26/23/394472623.db2.gz POJKKIMZYJRPAU-GFCCVEGCSA-N 1 0 255.321 2.198 40 0 CEABRO Cc1cc(N2CCCC2)nc([C@H]2CCC[N@@H+](C)C2)n1 ZINC000072364625 394598411 /nfs/dbraw/zinc/59/84/11/394598411.db2.gz ALHWBULBEGQOTD-ZDUSSCGKSA-N 1 0 260.385 2.194 40 0 CEABRO COc1ccc2c3c1O[C@@H]1C[C@H](O)C=C(CC[N@@H+](C)C2)[C@@H]31 ZINC000085224991 394643074 /nfs/dbraw/zinc/64/30/74/394643074.db2.gz FFQKTDKDUHFQKE-BPLDGKMQSA-N 1 0 287.359 2.066 40 0 CEABRO CC(C)C[NH+]1CCC2(C[C@H](c3cnn(C)c3)CO2)CC1 ZINC000096073034 394675298 /nfs/dbraw/zinc/67/52/98/394675298.db2.gz DKAGZXVBBWZSDV-AWEZNQCLSA-N 1 0 277.412 2.415 40 0 CEABRO Fc1ccc(C[N@@H+]2CC[C@]23CCN(c2ncccn2)C3)cc1 ZINC000096076079 394675519 /nfs/dbraw/zinc/67/55/19/394675519.db2.gz UIEDIYBXDGIJKB-KRWDZBQOSA-N 1 0 298.365 2.471 40 0 CEABRO O=C(Cc1ccsc1)N1C[C@@H]2[NH2+]Cc3ccccc3[C@@H]2C1 ZINC000096156953 394677266 /nfs/dbraw/zinc/67/72/66/394677266.db2.gz XAKOYWUTRJQLQF-HOTGVXAUSA-N 1 0 298.411 2.388 40 0 CEABRO CCO[C@H]1C[C@@H]([NH2+][C@H](C(N)=O)c2ccccc2)C1(C)C ZINC000096415094 394684853 /nfs/dbraw/zinc/68/48/53/394684853.db2.gz RTSJYORZFRGZHV-RDBSUJKOSA-N 1 0 276.380 2.006 40 0 CEABRO CC[C@@H]([C@H]([NH3+])c1cccc(F)c1)S(=O)(=O)CC ZINC000096524963 394697374 /nfs/dbraw/zinc/69/73/74/394697374.db2.gz CWRWGXOIIGZXRM-NWDGAFQWSA-N 1 0 259.346 2.039 40 0 CEABRO CC[NH+](CC)CCCN[C@@H](C)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000004969453 170046737 /nfs/dbraw/zinc/04/67/37/170046737.db2.gz HNOIFNMTCSBWKU-XHSDSOJGSA-N 1 0 297.487 2.486 40 0 CEABRO COc1cc(OC)c([C@H]2C[C@@H]2[C@H](C)[NH3+])c(OC)c1 ZINC000037376630 173165290 /nfs/dbraw/zinc/16/52/90/173165290.db2.gz DWPAOPGTQTXRQL-GDPRMGEGSA-N 1 0 251.326 2.163 40 0 CEABRO [NH3+][C@@H]1CCN(Cc2cc(Br)cs2)C1 ZINC000038539041 174145584 /nfs/dbraw/zinc/14/55/84/174145584.db2.gz NOMWHCSPUSQESL-MRVPVSSYSA-N 1 0 261.188 2.044 40 0 CEABRO CN(CC[NH+]1CCCCC1)c1ccnc(Cl)n1 ZINC000038579691 174147584 /nfs/dbraw/zinc/14/75/84/174147584.db2.gz JKSFWPXGLIUWQT-UHFFFAOYSA-N 1 0 254.765 2.052 40 0 CEABRO C[C@@H]1C[NH2+]CCN1Cc1cccc(C(F)(F)F)c1 ZINC000054373086 175559608 /nfs/dbraw/zinc/55/96/08/175559608.db2.gz MZMPXCYJKCNVOJ-SNVBAGLBSA-N 1 0 258.287 2.499 40 0 CEABRO COc1ccc([C@H]2C[N@@H+](C(C)C)CCN2C(C)=O)cc1 ZINC000072366566 176382013 /nfs/dbraw/zinc/38/20/13/176382013.db2.gz ZMFLRCQXBJTEQX-MRXNPFEDSA-N 1 0 276.380 2.309 40 0 CEABRO COc1ccc(-c2ccc([C@@H]3C[NH2+]CCO3)nc2)cc1 ZINC000072386812 176392312 /nfs/dbraw/zinc/39/23/12/176392312.db2.gz LURVAEKIPDPQMA-INIZCTEOSA-N 1 0 270.332 2.418 40 0 CEABRO COCCn1cc(C[N@@H+]2CCC[C@H](O)C2)c2ccccc21 ZINC000072397850 176395382 /nfs/dbraw/zinc/39/53/82/176395382.db2.gz YMCMEQQBWNRWFF-HNNXBMFYSA-N 1 0 288.391 2.244 40 0 CEABRO CNc1nc(N2Cc3ccccc3C[C@@H]2C)cc(C)[nH+]1 ZINC000328963858 273944588 /nfs/dbraw/zinc/94/45/88/273944588.db2.gz BRZSEXORZUCIHA-LBPRGKRZSA-N 1 0 268.364 2.200 40 0 CEABRO CCN1C(=O)C[C@@H]([NH+]2CCC(c3ccccc3)CC2)C1=O ZINC000004785299 276145959 /nfs/dbraw/zinc/14/59/59/276145959.db2.gz MAKROFYIJPRYQJ-OAHLLOKOSA-N 1 0 286.375 2.013 40 0 CEABRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@H]2CCCC[C@@H]2CO)C1 ZINC000096493589 277191001 /nfs/dbraw/zinc/19/10/01/277191001.db2.gz MUEWQJAZGFQGEO-MCIONIFRSA-N 1 0 298.427 2.137 40 0 CEABRO COc1ccc(C[NH2+]CCNc2nc(C)cc(C)n2)cc1 ZINC000062717863 333176183 /nfs/dbraw/zinc/17/61/83/333176183.db2.gz HLHREZJAHNDUHC-UHFFFAOYSA-N 1 0 286.379 2.304 40 0 CEABRO C[C@H]1C[C@@H]2CC[N@H+](Cc3ccc4c(c3)OCO4)C[C@H]2O1 ZINC000096046015 185072049 /nfs/dbraw/zinc/07/20/49/185072049.db2.gz OQDBKTHPFDLCMX-DETPVDSQSA-N 1 0 275.348 2.415 40 0 CEABRO O=C1[C@H]2C[N@H+](Cc3ccccn3)C[C@H]2CN1c1ccccc1 ZINC000096053592 185074809 /nfs/dbraw/zinc/07/48/09/185074809.db2.gz CEDUHCXFNALMTE-YOEHRIQHSA-N 1 0 293.370 2.176 40 0 CEABRO CCOC[C@]12CCCO[C@H]1CC[N@H+](Cc1ccncc1)C2 ZINC000096056814 185077005 /nfs/dbraw/zinc/07/70/05/185077005.db2.gz PBORYDSXKKSBKD-DLBZAZTESA-N 1 0 290.407 2.489 40 0 CEABRO O[C@@H]1CC[N@H+](Cc2ccccn2)[C@H]1Cc1ccccc1 ZINC000096061562 185082515 /nfs/dbraw/zinc/08/25/15/185082515.db2.gz UVVQSOHHETWCGE-DLBZAZTESA-N 1 0 268.360 2.260 40 0 CEABRO CC(C)[N@H+](C)Cc1cnc2n1CCN(Cc1ccco1)C2 ZINC000096061773 185082799 /nfs/dbraw/zinc/08/27/99/185082799.db2.gz DGWFPBIXLXIWSS-UHFFFAOYSA-N 1 0 288.395 2.332 40 0 CEABRO c1cncc(O[C@@H]2CO[C@]3(CC[N@@H+](CC4CCC4)C3)C2)c1 ZINC000096072451 185087690 /nfs/dbraw/zinc/08/76/90/185087690.db2.gz LVHJIQZLIHSNQM-DLBZAZTESA-N 1 0 288.391 2.494 40 0 CEABRO CC(C)(C)OC(=O)N1CCC2(CC1)CSCC[NH2+]2 ZINC000096944267 185134847 /nfs/dbraw/zinc/13/48/47/185134847.db2.gz KMKQCSVWCLGFMQ-UHFFFAOYSA-N 1 0 272.414 2.093 40 0 CEABRO O=C([C@H]1CCC[NH2+]C1)N(Cc1cccc(F)c1)C1CC1 ZINC000037807689 361947269 /nfs/dbraw/zinc/94/72/69/361947269.db2.gz CUSMMJWKSOOOJO-ZDUSSCGKSA-N 1 0 276.355 2.316 40 0 CEABRO Clc1cc(N2CCC(C[NH+]3CCCC3)CC2)ncn1 ZINC000038579904 361986565 /nfs/dbraw/zinc/98/65/65/361986565.db2.gz CWXLGOOWXDCUJB-UHFFFAOYSA-N 1 0 280.803 2.442 40 0 CEABRO O=C(Cc1ccc(F)cc1)NCCC[NH+]1CCCCC1 ZINC000046629351 362184976 /nfs/dbraw/zinc/18/49/76/362184976.db2.gz RLAQYZIMMVLZHM-UHFFFAOYSA-N 1 0 278.371 2.360 40 0 CEABRO Cc1nnc([C@H]2CC[N@H+](Cc3ccc4c(c3)OCO4)C2)o1 ZINC000049169225 362343084 /nfs/dbraw/zinc/34/30/84/362343084.db2.gz NIZQVPCZMYHTOU-LBPRGKRZSA-N 1 0 287.319 2.096 40 0 biogenic,in-vitro CEABRO C[C@@H]1C[C@@]1(C[NH3+])[C@H](O)c1ccc(Br)cc1 ZINC000096527164 344240292 /nfs/dbraw/zinc/24/02/92/344240292.db2.gz FWYXTFJWBKBSSN-FXAINCCUSA-N 1 0 270.170 2.467 40 0 CEABRO Fc1ccc([C@H](c2noc(C3C[NH2+]C3)n2)n2cccc2)cc1 ZINC000409437663 344889858 /nfs/dbraw/zinc/88/98/58/344889858.db2.gz ARJJHHKEPSFMDD-CQSZACIVSA-N 1 0 298.321 2.335 40 0 CEABRO CNc1cc([C@@H]2CCC[N@H+](Cc3ccccn3)C2)ccn1 ZINC000585181505 345009166 /nfs/dbraw/zinc/00/91/66/345009166.db2.gz UBORTOUMFMUNRX-OAHLLOKOSA-N 1 0 282.391 2.320 40 0 CEABRO Cc1ccc(C[C@H]2[C@@H](O)CCC[N@@H+]2Cc2ncc[nH]2)cc1 ZINC000585274332 345009445 /nfs/dbraw/zinc/00/94/45/345009445.db2.gz JDYMDLZSZMHBAE-HOTGVXAUSA-N 1 0 285.391 2.286 40 0 CEABRO CC(C)[C@H]([NH3+])C(=O)NCc1c(F)cccc1Cl ZINC000057546111 362584138 /nfs/dbraw/zinc/58/41/38/362584138.db2.gz UKNYNHHTWYDSNG-NSHDSACASA-N 1 0 258.724 2.079 40 0 CEABRO c1cn([C@H]2CO[C@]3(C2)CCC[N@@H+](Cc2ccccn2)C3)cn1 ZINC000107731399 186189158 /nfs/dbraw/zinc/18/91/58/186189158.db2.gz DCZVGCNCDNMRRP-SJORKVTESA-N 1 0 298.390 2.274 40 0 CEABRO COC[C@@]12CCCO[C@@H]1CC[N@H+](Cc1cccc(C)n1)C2 ZINC000107711063 186187663 /nfs/dbraw/zinc/18/76/63/186187663.db2.gz HHSVDHNVSJBKDN-SJORKVTESA-N 1 0 290.407 2.408 40 0 CEABRO COC[C@@]12CCCO[C@H]1CC[N@H+](Cc1cccc(C)n1)C2 ZINC000107711066 186188236 /nfs/dbraw/zinc/18/82/36/186188236.db2.gz HHSVDHNVSJBKDN-IRXDYDNUSA-N 1 0 290.407 2.408 40 0 CEABRO CN(C)C(=O)NC1CC2(C1)CC[N@H+](Cc1cccs1)C2 ZINC000108525097 186220369 /nfs/dbraw/zinc/22/03/69/186220369.db2.gz ADZIBVWNFZHEMF-UHFFFAOYSA-N 1 0 293.436 2.374 40 0 CEABRO Cc1ccoc1C(=O)N1CCC2(CC([NH+](C)C)C2)C1 ZINC000108528332 186220957 /nfs/dbraw/zinc/22/09/57/186220957.db2.gz VBZOTLDUEVJCBF-UHFFFAOYSA-N 1 0 262.353 2.144 40 0 CEABRO C[C@H]([NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1cnn(C)c1 ZINC000134788427 366359948 /nfs/dbraw/zinc/35/99/48/366359948.db2.gz IMPVPRPJPBOPHW-PYJNHQTQSA-N 1 0 261.369 2.028 40 0 CEABRO C[C@@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1cnn(C)c1 ZINC000134788406 366360102 /nfs/dbraw/zinc/36/01/02/366360102.db2.gz IMPVPRPJPBOPHW-CABNGKKXSA-N 1 0 261.369 2.028 40 0 CEABRO [NH3+]CCSC[C@H]1CCCN1C(=O)OCc1ccccc1 ZINC000079392255 363594510 /nfs/dbraw/zinc/59/45/10/363594510.db2.gz KNEDOIBZVYEGLD-CQSZACIVSA-N 1 0 294.420 2.480 40 0 CEABRO CC(C)(C)OC(=O)N(CC1CCN(CC[NH3+])CC1)C1CC1 ZINC000079408646 363597514 /nfs/dbraw/zinc/59/75/14/363597514.db2.gz LYHKDGVADWOZHN-UHFFFAOYSA-N 1 0 297.443 2.057 40 0 CEABRO Cc1ccc([C@H](C[NH3+])N2C[C@H](C)O[C@@H](C)C2)cc1C ZINC000216237748 540402084 /nfs/dbraw/zinc/40/20/84/540402084.db2.gz CMKDMFWNQQCGKG-DZKIICNBSA-N 1 0 262.397 2.412 40 0 CEABRO CCSc1ccc(N2C(=N)NC(=[NH2+])NC2(C)C)cc1 ZINC000001842837 361223894 /nfs/dbraw/zinc/22/38/94/361223894.db2.gz DMUVDTFGSCCPBP-UHFFFAOYSA-N 1 0 277.397 2.403 40 0 CEABRO C[NH+](C)CCNC(=O)CSCc1ccc(Cl)cc1 ZINC000013632671 361434838 /nfs/dbraw/zinc/43/48/38/361434838.db2.gz ZVWONPXXLLFOBN-UHFFFAOYSA-N 1 0 286.828 2.251 40 0 CEABRO Cc1cc(C)n([C@H](C)C(=O)NCC2([NH+](C)C)CCCC2)n1 ZINC000019716933 361549041 /nfs/dbraw/zinc/54/90/41/361549041.db2.gz YLAGTHHQMJCOBJ-CQSZACIVSA-N 1 0 292.427 2.052 40 0 CEABRO [NH3+]CCNc1ccnc2ccc(Br)cc21 ZINC000019721358 361549234 /nfs/dbraw/zinc/54/92/34/361549234.db2.gz QXYOCLAYLAGTQQ-UHFFFAOYSA-N 1 0 266.142 2.368 40 0 CEABRO COc1cc2c(cc1OC)C1(CCCC1)C[NH2+][C@H]2CO ZINC000019419574 361533138 /nfs/dbraw/zinc/53/31/38/361533138.db2.gz LDHLAADAEBYNLN-ZDUSSCGKSA-N 1 0 277.364 2.152 40 0 CEABRO [NH3+]Cc1cncn1Cc1ccccc1Br ZINC000085197433 363832186 /nfs/dbraw/zinc/83/21/86/363832186.db2.gz WBIDRHLQROARGF-UHFFFAOYSA-N 1 0 266.142 2.153 40 0 CEABRO [NH3+][C@H]1CC[C@H]2CN(C(=O)C3CCC(F)(F)CC3)C[C@H]21 ZINC000186893434 189454182 /nfs/dbraw/zinc/45/41/82/189454182.db2.gz HGEGSWQJHZJXLK-TUAOUCFPSA-N 1 0 272.339 2.008 40 0 CEABRO C[NH2+][C@H]1CN(Cc2ccccc2)C[C@@H]1C(F)(F)F ZINC000090505441 364060081 /nfs/dbraw/zinc/06/00/81/364060081.db2.gz VNRMUCLKUFOUET-RYUDHWBXSA-N 1 0 258.287 2.269 40 0 CEABRO COC(=O)[C@@H](C[NH3+])Cc1ccc(Cl)cc1Cl ZINC000095097689 364340387 /nfs/dbraw/zinc/34/03/87/364340387.db2.gz FYYZFAKWHAAVOZ-MRVPVSSYSA-N 1 0 262.136 2.284 40 0 CEABRO CC(C)C(=O)N1CC2(CC[NH2+]CC2)c2cc(F)ccc21 ZINC000096161036 364403552 /nfs/dbraw/zinc/40/35/52/364403552.db2.gz HDOQAEKXXQGSCH-UHFFFAOYSA-N 1 0 276.355 2.450 40 0 CEABRO CC(C)C[N@@H+]1CCC[C@]12CCN(C(=O)c1ccno1)C2 ZINC000096203043 364411296 /nfs/dbraw/zinc/41/12/96/364411296.db2.gz WYHMHLBKPWNALR-OAHLLOKOSA-N 1 0 277.368 2.011 40 0 CEABRO COc1ccc(C[N@@H+]2CCc3ncnc(C)c3CC2)cc1 ZINC000096254954 364418311 /nfs/dbraw/zinc/41/83/11/364418311.db2.gz OBGJYKSEGFHAFY-UHFFFAOYSA-N 1 0 283.375 2.394 40 0 CEABRO COc1cc(N[C@@H]2CCC[C@@H]2[NH3+])cc(OC)c1OC ZINC000218883113 370214218 /nfs/dbraw/zinc/21/42/18/370214218.db2.gz ZWKWMKZJULGQCS-WDEREUQCSA-N 1 0 266.341 2.004 40 0 CEABRO [NH3+]C[C@@H]1[C@@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218038122 370204325 /nfs/dbraw/zinc/20/43/25/370204325.db2.gz KXEHYTCGVACPOM-BZUAXINKSA-N 1 0 287.384 2.201 40 0 CEABRO Cc1ccc(S(=O)(=O)[C@@H]2[C@@H]([NH3+])[C@@H]2c2ccccc2)cc1 ZINC000218052637 370204600 /nfs/dbraw/zinc/20/46/00/370204600.db2.gz JHMTZCUCRRKLTK-JYJNAYRXSA-N 1 0 287.384 2.262 40 0 CEABRO COc1ccc(C[NH+]2CC3(C2)C[C@@H](OC)CS3)cc1 ZINC000247898772 371145557 /nfs/dbraw/zinc/14/55/57/371145557.db2.gz PVXLEHVIHRADND-CQSZACIVSA-N 1 0 279.405 2.402 40 0 CEABRO c1cncc(OC[C@@H]2CCOC23C[NH+](CC2CCC2)C3)c1 ZINC000248335161 371175677 /nfs/dbraw/zinc/17/56/77/371175677.db2.gz MMXBFFMRUHUZDO-HNNXBMFYSA-N 1 0 288.391 2.351 40 0 CEABRO c1cncc(O[C@@H]2CSC3(C[NH+](CC4CC4)C3)C2)c1 ZINC000253590733 371529831 /nfs/dbraw/zinc/52/98/31/371529831.db2.gz DZAUWGCLFHIUHB-AWEZNQCLSA-N 1 0 276.405 2.430 40 0 CEABRO Cc1nc([C@@H]2CCC[NH2+]C2)nc2c1CCCN2CC1CC1 ZINC000257296234 371610528 /nfs/dbraw/zinc/61/05/28/371610528.db2.gz RBVRZHYLHGBLPK-CQSZACIVSA-N 1 0 286.423 2.415 40 0 CEABRO CC[NH+](CC)CCCNCc1cc(C(F)(F)F)nn1C ZINC000256049796 190002131 /nfs/dbraw/zinc/00/21/31/190002131.db2.gz BLUOQOBGOGRCEJ-UHFFFAOYSA-N 1 0 292.349 2.260 40 0 CEABRO Cn1cc(C[NH2+]Cc2cnn(C3CCCC3)c2)cn1 ZINC000256049480 190002405 /nfs/dbraw/zinc/00/24/05/190002405.db2.gz ADCWBBGKLUADRZ-UHFFFAOYSA-N 1 0 259.357 2.022 40 0 CEABRO CCCn1nccc1C[NH2+]Cc1cnn(CC(F)F)c1C ZINC000256049555 190002478 /nfs/dbraw/zinc/00/24/78/190002478.db2.gz AKOGKJLGLWMYCL-UHFFFAOYSA-N 1 0 297.353 2.353 40 0 CEABRO CC[NH+](CC)CCCNCc1ccnn1CC(C)C ZINC000256050857 190003221 /nfs/dbraw/zinc/00/32/21/190003221.db2.gz GTABFULWBZKDJC-UHFFFAOYSA-N 1 0 266.433 2.361 40 0 CEABRO CC(C)C(=O)N[C@H]1CC[N@H+](CC2CCCCC2)CC[C@@H]1O ZINC000257210010 190011931 /nfs/dbraw/zinc/01/19/31/190011931.db2.gz BSTKOLYBSSHWIZ-HOTGVXAUSA-N 1 0 296.455 2.164 40 0 CEABRO CC(C)C[C@]1(O)CC[NH2+]C[C@@H]1Oc1cccc(F)c1 ZINC000257235609 190016882 /nfs/dbraw/zinc/01/68/82/190016882.db2.gz GYOZNZJTQTYPPO-LSDHHAIUSA-N 1 0 267.344 2.344 40 0 CEABRO CO[C@H]1C[N@H+](Cc2ccnn2C(C)C)CC[C@@]12CCCO2 ZINC000257246913 190019328 /nfs/dbraw/zinc/01/93/28/190019328.db2.gz IWMCFYSSQSFBCS-HOTGVXAUSA-N 1 0 293.411 2.234 40 0 CEABRO Nc1ccc(-c2ccc(C[C@H]3CCC[NH2+]CC3)nn2)cn1 ZINC000257264212 190022956 /nfs/dbraw/zinc/02/29/56/190022956.db2.gz LTJODRZPOZMVJW-LBPRGKRZSA-N 1 0 283.379 2.053 40 0 CEABRO C[C@H]1CN(c2cccc(C3CC[NH+](C)CC3)n2)C(=O)O1 ZINC000257272313 190023621 /nfs/dbraw/zinc/02/36/21/190023621.db2.gz NBXQISVNIZMUPI-NSHDSACASA-N 1 0 275.352 2.236 40 0 CEABRO COc1ccc([C@@H]2C[NH2+]CCN2Cc2ccncc2)cc1 ZINC000257268308 190023872 /nfs/dbraw/zinc/02/38/72/190023872.db2.gz MLBVLUIQIGYIJG-KRWDZBQOSA-N 1 0 283.375 2.237 40 0 CEABRO Cc1csc(Nc2cc(C)nc([C@@H]3CC[NH2+]C3)n2)n1 ZINC000257257118 190021878 /nfs/dbraw/zinc/02/18/78/190021878.db2.gz KODJQTOPONZQNB-SNVBAGLBSA-N 1 0 275.381 2.370 40 0 CEABRO Cn1cncc1C[N@H+]1C[C@@H]2[C@H](Oc3cccnc3)CC[C@@H]2C1 ZINC000257266020 190022820 /nfs/dbraw/zinc/02/28/20/190022820.db2.gz MBGSAWYHZDBDTA-XOKHGSTOSA-N 1 0 298.390 2.105 40 0 CEABRO Cc1cc(C)nc(Nc2cc(C)nc([C@@H]3CC[NH2+]C3)n2)n1 ZINC000257292829 190027604 /nfs/dbraw/zinc/02/76/04/190027604.db2.gz QNCMMZINIAFNJZ-GFCCVEGCSA-N 1 0 284.367 2.012 40 0 CEABRO OCC[N@@H+]1CCC[C@H]1c1cccc(Oc2cccnc2)n1 ZINC000257279374 190025172 /nfs/dbraw/zinc/02/51/72/190025172.db2.gz OGGWYYZPXXSFOR-HNNXBMFYSA-N 1 0 285.347 2.398 40 0 CEABRO CCn1nccc1-c1cc(C)nc([C@@H]2CC[NH2+]C2)c1 ZINC000257314168 190031713 /nfs/dbraw/zinc/03/17/13/190031713.db2.gz UVPGQWSLZPUUQP-GFCCVEGCSA-N 1 0 256.353 2.350 40 0 CEABRO c1ccc(Nc2cncc([C@@H]3CCC[NH2+]C3)n2)nc1 ZINC000257321976 190033366 /nfs/dbraw/zinc/03/33/66/190033366.db2.gz WEDCOHUDSXBMCF-LLVKDONJSA-N 1 0 255.325 2.082 40 0 CEABRO Cc1cn(C)c([C@H]2CC[N@H+](Cc3cncs3)C2)n1 ZINC000257338795 190036925 /nfs/dbraw/zinc/03/69/25/190036925.db2.gz YZABAKPTYJKFSD-NSHDSACASA-N 1 0 262.382 2.175 40 0 CEABRO CC(C)C[N@@H+]1C[C@@H]2CN(C(=O)Nc3ccccc3)C[C@H]21 ZINC000306133327 376540721 /nfs/dbraw/zinc/54/07/21/376540721.db2.gz MILOUHMKHQMEJO-UKRRQHHQSA-N 1 0 273.380 2.491 40 0 CEABRO COc1ccccc1-c1cnc2n1C[C@@]1(CC[NH2+]C1)C2 ZINC000306140522 376541450 /nfs/dbraw/zinc/54/14/50/376541450.db2.gz UWAMYEUTSYLCGD-INIZCTEOSA-N 1 0 269.348 2.095 40 0 CEABRO COCC[C@H]1COC2(C1)CC[NH+](Cc1ccccn1)CC2 ZINC000096220161 256827311 /nfs/dbraw/zinc/82/73/11/256827311.db2.gz OHTOABULIZFFKP-OAHLLOKOSA-N 1 0 290.407 2.489 40 0 CEABRO c1cc(C[NH+]2C[C@H]3CN(c4ncccn4)C[C@@H]3C2)cs1 ZINC000096053987 285439670 /nfs/dbraw/zinc/43/96/70/285439670.db2.gz NODGTYBVIOHWOS-KBPBESRZSA-N 1 0 286.404 2.106 40 0 CEABRO CN(C)C(=O)C[C@@H](c1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000072208335 394592435 /nfs/dbraw/zinc/59/24/35/394592435.db2.gz NJNYDDLPSLBMGQ-GJZGRUSLSA-N 1 0 260.381 2.391 40 0 CEABRO Nc1ncnc2nc([C@@H]3CCC[NH2+]C3)cc(C(F)(F)F)c12 ZINC000257231749 394595427 /nfs/dbraw/zinc/59/54/27/394595427.db2.gz GIAXFAGYERJUQW-SSDOTTSWSA-N 1 0 297.284 2.093 40 0 CEABRO O=C(c1ccsc1)N1C[C@H]2c3ccccc3C[NH2+][C@@H]2C1 ZINC000096157352 394676779 /nfs/dbraw/zinc/67/67/79/394676779.db2.gz PGNWTZTZAKDDKD-LSDHHAIUSA-N 1 0 284.384 2.460 40 0 CEABRO COc1cc(N2CCC3(CC[NH2+]CC3)CC2)ccc1N ZINC000498050917 400600980 /nfs/dbraw/zinc/60/09/80/400600980.db2.gz ORJHAMWXAXMVHC-UHFFFAOYSA-N 1 0 275.396 2.247 40 0 CEABRO NC(=[NH2+])c1ccc(OCCOc2cccc(N)c2)cc1 ZINC000001749438 169754564 /nfs/dbraw/zinc/75/45/64/169754564.db2.gz AMLQBTIJRPNQRR-UHFFFAOYSA-N 1 0 271.320 2.011 40 0 CEABRO CC(C)[NH2+]C[C@H](O)COc1cccc2c(O)cccc12 ZINC000003651527 169905958 /nfs/dbraw/zinc/90/59/58/169905958.db2.gz WMYPGILKDMWISO-LBPRGKRZSA-N 1 0 275.348 2.283 40 0 in-vitro CEABRO Cn1c(SCC[NH+]2CCCC2)nnc1-c1ccncc1 ZINC000004966543 170046383 /nfs/dbraw/zinc/04/63/83/170046383.db2.gz CAVFHULYTSSMNG-UHFFFAOYSA-N 1 0 289.408 2.065 40 0 CEABRO O[C@@H](C[n+]1cccc(Br)c1)c1ccccc1 ZINC000006582107 170215848 /nfs/dbraw/zinc/21/58/48/170215848.db2.gz MZMDBQVEADZUPX-ZDUSSCGKSA-N 1 0 279.157 2.470 40 0 CEABRO CCn1cc(C[NH2+]Cc2cn(CC)nc2C)c(C)n1 ZINC000020349903 171155192 /nfs/dbraw/zinc/15/51/92/171155192.db2.gz ZZCSGQZBHFBJPK-UHFFFAOYSA-N 1 0 261.373 2.026 40 0 CEABRO O[C@H]1CC2(CC[NH2+]CC2)Oc2ccc(Br)cc21 ZINC000036141235 172464530 /nfs/dbraw/zinc/46/45/30/172464530.db2.gz PLEOWRYUSJWZLB-NSHDSACASA-N 1 0 298.180 2.387 40 0 CEABRO COc1ccc([C@H](C[NH3+])N2CCC[C@H](C)C2)cc1OC ZINC000038808934 174156695 /nfs/dbraw/zinc/15/66/95/174156695.db2.gz KMKUYNUYBQBCBN-JSGCOSHPSA-N 1 0 278.396 2.436 40 0 CEABRO c1cc(CN2CC[NH2+][C@@H]3CCCC[C@H]32)cc2c1OCO2 ZINC000218829828 414843654 /nfs/dbraw/zinc/84/36/54/414843654.db2.gz VRRUTLRSIXCUCJ-ZIAGYGMSSA-N 1 0 274.364 2.132 40 0 CEABRO Brc1ccc(CN[C@@H]2CCC[NH2+]C2)cc1 ZINC000043324403 175007116 /nfs/dbraw/zinc/00/71/16/175007116.db2.gz HCKWREWOUDLNFM-GFCCVEGCSA-N 1 0 269.186 2.291 40 0 CEABRO C[C@H](O)C[NH2+]CCNc1ccnc2cc(Cl)ccc21 ZINC000045221330 175329886 /nfs/dbraw/zinc/32/98/86/175329886.db2.gz RFNXDTUARRKJEQ-JTQLQIEISA-N 1 0 279.771 2.271 40 0 CEABRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)C1CC1 ZINC000046374500 175396331 /nfs/dbraw/zinc/39/63/31/175396331.db2.gz SGUWFSNOEFUKNU-UHFFFAOYSA-N 1 0 258.365 2.309 40 0 CEABRO FC(F)(F)c1cccnc1OCC1CC[NH2+]CC1 ZINC000051869692 175526506 /nfs/dbraw/zinc/52/65/06/175526506.db2.gz PGVROEQOEMUIEP-UHFFFAOYSA-N 1 0 260.259 2.479 40 0 CEABRO C[NH+](C)CCCNC(=O)c1ccc(Cl)cc1F ZINC000054455636 175561035 /nfs/dbraw/zinc/56/10/35/175561035.db2.gz WYEQHAJNJLBRGD-UHFFFAOYSA-N 1 0 258.724 2.161 40 0 CEABRO NC(=[NH2+])SCc1ccc(I)cc1 ZINC000071980698 176307608 /nfs/dbraw/zinc/30/76/08/176307608.db2.gz ZKPUBNIUVDWBMD-UHFFFAOYSA-N 1 0 292.145 2.418 40 0 CEABRO c1cnc([C@@H]2CCC[N@@H+](Cc3ccncc3)C2)cn1 ZINC000072363789 176378352 /nfs/dbraw/zinc/37/83/52/176378352.db2.gz YVRHPRAEKCXGLO-CQSZACIVSA-N 1 0 254.337 2.251 40 0 CEABRO C[N@@H+]1CCC[C@H](c2ccnc(Nc3ncccn3)c2)C1 ZINC000072364983 176380029 /nfs/dbraw/zinc/38/00/29/176380029.db2.gz YBLXHANYXPZSNS-ZDUSSCGKSA-N 1 0 269.352 2.424 40 0 CEABRO COc1ccc(Cc2cc([C@H]3CC[NH2+]C3)nc(C)n2)cc1 ZINC000072365020 176380150 /nfs/dbraw/zinc/38/01/50/176380150.db2.gz KRLWVYSXXCDDRL-AWEZNQCLSA-N 1 0 283.375 2.461 40 0 CEABRO O=C(CCc1cccc([C@H]2CCC[NH2+]C2)n1)NC1CCC1 ZINC000072366490 176381971 /nfs/dbraw/zinc/38/19/71/176381971.db2.gz LNIYPVJIJSOJQK-ZDUSSCGKSA-N 1 0 287.407 2.150 40 0 CEABRO c1cn2c(n1)nccc2[C@H]1CC[N@@H+](Cc2ccncc2)C1 ZINC000072367946 176382498 /nfs/dbraw/zinc/38/24/98/176382498.db2.gz LNYRJIPXBSYOCP-AWEZNQCLSA-N 1 0 279.347 2.114 40 0 CEABRO Oc1ccc(C[N@@H+]2CCOC[C@H](Cc3ccccn3)C2)cc1 ZINC000072385361 176389982 /nfs/dbraw/zinc/38/99/82/176389982.db2.gz CKJCFSNUPYUEMQ-MRXNPFEDSA-N 1 0 298.386 2.478 40 0 CEABRO Cc1c(C[NH2+]CCN2CCCC2=O)c2ccccc2n1C ZINC000072390447 176393821 /nfs/dbraw/zinc/39/38/21/176393821.db2.gz MCTPGBRDFDJQNG-UHFFFAOYSA-N 1 0 285.391 2.199 40 0 CEABRO C[N@@H+]1CCCC[C@@H]1c1cncc(NCC2(C)COC2)n1 ZINC000072388948 176394068 /nfs/dbraw/zinc/39/40/68/176394068.db2.gz GLVPXGRHQKNQEA-CYBMUJFWSA-N 1 0 276.384 2.082 40 0 CEABRO CCN(C(=O)OCc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000079437793 177491091 /nfs/dbraw/zinc/49/10/91/177491091.db2.gz WUUMUOQOMQIHRY-AWEZNQCLSA-N 1 0 262.353 2.397 40 0 CEABRO CC(C)[N@@H+]1C[C@H]2CN(Cc3ccccc3)C(=O)[C@@]2(F)C1 ZINC000096261728 265349282 /nfs/dbraw/zinc/34/92/82/265349282.db2.gz LIVSAJSCTIREET-GDBMZVCRSA-N 1 0 276.355 2.077 40 0 CEABRO COc1ccc2c(c1)[C@@H](O)[C@@H]([NH2+]Cc1ccccc1)C2 ZINC000031912103 274134518 /nfs/dbraw/zinc/13/45/18/274134518.db2.gz QOAGIRXXYXCYCD-DLBZAZTESA-N 1 0 269.344 2.443 40 0 CEABRO O=C(c1ccc(Cl)c(Cl)c1)N1CCC[NH2+]CC1 ZINC000019679955 275012312 /nfs/dbraw/zinc/01/23/12/275012312.db2.gz VHBJHJGMUDAFPD-UHFFFAOYSA-N 1 0 273.163 2.429 40 0 CEABRO CC(C)(C)OC(=O)N=c1[nH]c2c(s1)C[C@@H]([NH3+])CC2 ZINC000258563035 277205104 /nfs/dbraw/zinc/20/51/04/277205104.db2.gz OMBSPLFLJONFRP-ZETCQYMHSA-N 1 0 269.370 2.306 40 0 CEABRO COc1ncnc2c1CC[N@H+](Cc1ccsc1)CC2 ZINC000096058735 278098959 /nfs/dbraw/zinc/09/89/59/278098959.db2.gz FGGHWVSHTRCVQG-UHFFFAOYSA-N 1 0 275.377 2.148 40 0 CEABRO C[C@@H]([NH3+])Cc1ccc(I)cc1 ZINC000002390011 278309714 /nfs/dbraw/zinc/30/97/14/278309714.db2.gz VZPKOWYCGWOYRF-SSDOTTSWSA-N 1 0 261.106 2.181 40 0 in-vivo CEABRO C[C@H]1[NH2+]CC=CC[C@H]1C(=O)N1CCc2ccccc2C1 ZINC000019462296 278511160 /nfs/dbraw/zinc/51/11/60/278511160.db2.gz YJXLKGJUYSIITG-CZUORRHYSA-N 1 0 270.376 2.126 40 0 CEABRO CCOC(=O)[C@@H]([C@@H](C)[NH+]1CCCCC1)N1CCCCC1 ZINC000019366255 279584458 /nfs/dbraw/zinc/58/44/58/279584458.db2.gz IRUSQNAIDMLKBQ-HUUCEWRRSA-N 1 0 282.428 2.278 40 0 CEABRO CCC(=O)N(c1ccccc1)C1(COC)CC[NH2+]CC1 ZINC000005768112 281858159 /nfs/dbraw/zinc/85/81/59/281858159.db2.gz ULOZGJWEIWAWML-UHFFFAOYSA-N 1 0 276.380 2.198 40 0 world CEABRO Cc1cccc([C@H](CCO)CC[NH+]2CCOCC2)c1 ZINC000217801257 333123764 /nfs/dbraw/zinc/12/37/64/333123764.db2.gz LUYZQZLEAPKBOR-HNNXBMFYSA-N 1 0 263.381 2.183 40 0 CEABRO CN(C(=O)[C@@H]1C[C@H]1c1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000226950871 333182711 /nfs/dbraw/zinc/18/27/11/333182711.db2.gz UWDQIUGKCINYGT-QLFBSQMISA-N 1 0 258.365 2.001 40 0 CEABRO CC(C)c1ccc(-n2ncc3c2nc[nH+]c3NN)cc1 ZINC000062203236 519834159 /nfs/dbraw/zinc/83/41/59/519834159.db2.gz RNANNTDKGPRZKC-UHFFFAOYSA-N 1 0 268.324 2.225 40 0 CEABRO [NH3+]CCc1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000019233047 534654892 /nfs/dbraw/zinc/65/48/92/534654892.db2.gz PDGUQDGEVMOBTK-UHFFFAOYSA-N 1 0 257.215 2.257 40 0 CEABRO CC(C)[C@H]([NH3+])c1nc(COc2ccc(F)cc2)n[nH]1 ZINC000095534740 185006640 /nfs/dbraw/zinc/00/66/40/185006640.db2.gz PFJDIKBMKJQSCO-LBPRGKRZSA-N 1 0 264.304 2.179 40 0 CEABRO [NH3+]Cc1cn(-c2ccc(Br)cc2)cn1 ZINC000082555815 178092033 /nfs/dbraw/zinc/09/20/33/178092033.db2.gz MGSRZWMMIKTLSI-UHFFFAOYSA-N 1 0 252.115 2.094 40 0 CEABRO c1cn([C@@H]2CO[C@]3(C2)CCC[N@@H+](Cc2ccoc2)C3)cn1 ZINC000096048548 185073139 /nfs/dbraw/zinc/07/31/39/185073139.db2.gz RHHJWYHNAPOFFG-HOTGVXAUSA-N 1 0 287.363 2.472 40 0 CEABRO c1coc(C[NH+]2C[C@H]3CN(Cc4cccnc4)C[C@@H]3C2)c1 ZINC000096053722 185074129 /nfs/dbraw/zinc/07/41/29/185074129.db2.gz BYTKRPZSTBUPQP-HZPDHXFCSA-N 1 0 283.375 2.238 40 0 CEABRO c1cc(CN2C[C@@H]3C[N@@H+](Cc4ccccn4)C[C@@H]3C2)co1 ZINC000096053782 185074875 /nfs/dbraw/zinc/07/48/75/185074875.db2.gz CVYSNAJBYFRQLK-IYBDPMFKSA-N 1 0 283.375 2.238 40 0 CEABRO COC[C@]12CCCO[C@@H]1CC[N@H+](Cc1ccccn1)C2 ZINC000096056720 185076991 /nfs/dbraw/zinc/07/69/91/185076991.db2.gz YLSCRXPAZCUAOA-HZPDHXFCSA-N 1 0 276.380 2.099 40 0 CEABRO C(O[C@@H]1CC[C@H]2[C@H]1OCC[N@@H+]2CC1CC1)C1CC1 ZINC000096057898 185079409 /nfs/dbraw/zinc/07/94/09/185079409.db2.gz HWHUTKFBNHYBEB-RRFJBIMHSA-N 1 0 251.370 2.055 40 0 CEABRO CO[C@H]1CC[N@H+](CC2CCCC2)[C@H]1Cc1cnn(C)c1 ZINC000096069959 185085659 /nfs/dbraw/zinc/08/56/59/185085659.db2.gz GZHOHFKKASSXDD-HOTGVXAUSA-N 1 0 277.412 2.242 40 0 CEABRO Cc1noc(C)c1C[N@H+]1CCC[C@@]2(CCCC(=O)N2C)C1 ZINC000096077020 185089319 /nfs/dbraw/zinc/08/93/19/185089319.db2.gz KPPSIKPWOBSXPQ-INIZCTEOSA-N 1 0 291.395 2.268 40 0 CEABRO CC(C)C[N@@H+]1C[C@H]2CN(C(=O)Nc3ccccc3)C[C@@H]21 ZINC000096080579 185090658 /nfs/dbraw/zinc/09/06/58/185090658.db2.gz MILOUHMKHQMEJO-ZFWWWQNUSA-N 1 0 273.380 2.491 40 0 CEABRO CC(C)C[N@@H+]1C[C@H]2C[C@H](C(=O)Nc3ccccc3)[C@@H](C1)O2 ZINC000096083634 185093116 /nfs/dbraw/zinc/09/31/16/185093116.db2.gz DVLGTTZGGQHXLC-OWCLPIDISA-N 1 0 288.391 2.370 40 0 CEABRO CC(C)[C@H]([NH3+])C(=O)N(C)Cc1c(F)cccc1Cl ZINC000037798898 361942264 /nfs/dbraw/zinc/94/22/64/361942264.db2.gz LLGIYCHIDAZSTM-LBPRGKRZSA-N 1 0 272.751 2.421 40 0 CEABRO CC(C)[C@@H]1[C@@H]2OC(=O)[C@H]1[C@@H]1CC[C@@H]3C[N@H+](C)[C@H]2[C@@]31C ZINC000031576075 343409048 /nfs/dbraw/zinc/40/90/48/343409048.db2.gz RYAHJFGVOCZDEI-HJRIULOKSA-N 1 0 263.381 2.160 40 0 CEABRO Clc1ccc(-c2n[nH]c3c2[C@@H]2CC[C@H](C3)[NH2+]2)cn1 ZINC000096510303 344240104 /nfs/dbraw/zinc/24/01/04/344240104.db2.gz AFMKTXOHZKBPEP-BDAKNGLRSA-N 1 0 260.728 2.474 40 0 CEABRO CCOC(=O)[C@@H](N)[C@]1([NH+](C)C)C[C@@H]2CC[C@@]1(C)C2(C)C ZINC000216349678 344534883 /nfs/dbraw/zinc/53/48/83/344534883.db2.gz AGHKBSYGIOWTQD-SHUKQUCYSA-N 1 0 282.428 2.023 40 0 CEABRO CCOC(=O)[C@H](CN)[C@]1([NH+](C)C)C[C@@H]2CC[C@@]1(C)C2(C)C ZINC000216351456 344534908 /nfs/dbraw/zinc/53/49/08/344534908.db2.gz QGGWEHAGQMESEH-MGBSGCIJSA-N 1 0 296.455 2.271 40 0 CEABRO C[C@]12CCC[N@H+](CC3(O)CCCCC3)[C@H]1CCCC(=O)N2 ZINC000585283371 345010111 /nfs/dbraw/zinc/01/01/11/345010111.db2.gz NWNIKECNLVROLP-HOCLYGCPSA-N 1 0 294.439 2.205 40 0 CEABRO COC(=O)[C@H]1C[NH2+]C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000055167410 362545671 /nfs/dbraw/zinc/54/56/71/362545671.db2.gz HXQXFJKEWKTQMV-MNOVXSKESA-N 1 0 273.254 2.181 40 0 CEABRO CC(C)S(=O)(=O)c1ccc(C[NH3+])c2ccccc21 ZINC000085390885 179047829 /nfs/dbraw/zinc/04/78/29/179047829.db2.gz ZGAKSISVJJQWLU-UHFFFAOYSA-N 1 0 263.362 2.481 40 0 CEABRO CCOc1cccc(NC(=S)NC2CC[NH+](C)CC2)c1 ZINC000063149987 362752186 /nfs/dbraw/zinc/75/21/86/362752186.db2.gz QLGFXRMQEIURLP-UHFFFAOYSA-N 1 0 293.436 2.466 40 0 CEABRO CCn1cc(CN2CC[NH2+]C[C@H]2c2ccccc2)cn1 ZINC000068696126 362944970 /nfs/dbraw/zinc/94/49/70/362944970.db2.gz VXNQLTBISZVTRH-INIZCTEOSA-N 1 0 270.380 2.050 40 0 CEABRO COc1ccc([C@@H](C)[NH2+]C[C@H](C)[S@](C)=O)c(F)c1 ZINC000090843460 180044475 /nfs/dbraw/zinc/04/44/75/180044475.db2.gz OGVSVGURSJHESE-XVYUCKLSSA-N 1 0 273.373 2.252 40 0 CEABRO C1C[NH2+][C@H](c2nc([C@@H]3CCCSCC3)no2)C1 ZINC000575415045 366281612 /nfs/dbraw/zinc/28/16/12/366281612.db2.gz LXHDUNREGKZGCJ-ZJUUUORDSA-N 1 0 253.371 2.495 40 0 CEABRO Brc1ccc([C@H]2C[C@H]2CN2CC[NH2+]CC2)cc1 ZINC000575424318 366284479 /nfs/dbraw/zinc/28/44/79/366284479.db2.gz YWNHAKLRYRIPIH-GXTWGEPZSA-N 1 0 295.224 2.458 40 0 CEABRO [NH3+]Cc1sc(N2CCCC2)nc1C(F)(F)F ZINC000075732832 363485938 /nfs/dbraw/zinc/48/59/38/363485938.db2.gz GRNSTMQXFYAPOA-UHFFFAOYSA-N 1 0 251.277 2.221 40 0 CEABRO OCC[N@H+](C1CC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000079393545 363593925 /nfs/dbraw/zinc/59/39/25/363593925.db2.gz LDSRLKQLUBAIQE-KRWDZBQOSA-N 1 0 274.408 2.108 40 0 CEABRO [NH3+]CCSC[C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000079392261 363594619 /nfs/dbraw/zinc/59/46/19/363594619.db2.gz VJEKDCCFTCFMKN-AWEZNQCLSA-N 1 0 294.420 2.337 40 0 CEABRO C[C@H]([NH3+])C(=O)N(C)Cc1cccc(C(F)(F)F)c1 ZINC000079420901 363598917 /nfs/dbraw/zinc/59/89/17/363598917.db2.gz YVABGVKEOYGBFS-QMMMGPOBSA-N 1 0 260.259 2.011 40 0 CEABRO CC(C)N(Cc1cccc(C(F)(F)F)c1)C(=O)C[NH3+] ZINC000079420861 363598616 /nfs/dbraw/zinc/59/86/16/363598616.db2.gz SKECLKGZWQYNRY-UHFFFAOYSA-N 1 0 274.286 2.401 40 0 CEABRO CC(C)[N@@H+](Cc1ccccc1)C[C@@H]1CC[NH+](CC(=O)[O-])C1 ZINC000079416157 363599530 /nfs/dbraw/zinc/59/95/30/363599530.db2.gz OFKWMWSGNPCZEP-MRXNPFEDSA-N 1 0 290.407 2.304 40 0 CEABRO O=C(OCc1ccccc1)N1CC[C@@H]([NH2+]C2CC2)C1 ZINC000079437262 363600998 /nfs/dbraw/zinc/60/09/98/363600998.db2.gz YWSIGOBNYJLYHD-CQSZACIVSA-N 1 0 260.337 2.150 40 0 CEABRO CCCN1CO[C@H](OCC[NH+](CC)CC)C(C)(C)C1 ZINC000001568627 283353355 /nfs/dbraw/zinc/35/33/55/283353355.db2.gz BINFPLCQRWUIRA-AWEZNQCLSA-N 1 0 272.433 2.397 40 0 CEABRO CN(C(=O)[C@@H]1C[C@H]1c1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000242687802 540424022 /nfs/dbraw/zinc/42/40/22/540424022.db2.gz UWDQIUGKCINYGT-SOUVJXGZSA-N 1 0 258.365 2.001 40 0 CEABRO COc1ccc2nc(C)c(C(=O)OCC[NH+](C)C)cc2c1 ZINC000000806696 361192600 /nfs/dbraw/zinc/19/26/00/361192600.db2.gz PXKGJOLPSHZDSB-UHFFFAOYSA-N 1 0 288.347 2.270 40 0 CEABRO CN(C)C(=O)C1CC[NH+](Cc2c[nH]c3ccccc23)CC1 ZINC000001675090 361216522 /nfs/dbraw/zinc/21/65/22/361216522.db2.gz FVAOPWYMUSABRQ-UHFFFAOYSA-N 1 0 285.391 2.468 40 0 in-vitro CEABRO C[C@H]([NH3+])Cc1ccc(I)cc1 ZINC000003619527 361286780 /nfs/dbraw/zinc/28/67/80/361286780.db2.gz VZPKOWYCGWOYRF-ZETCQYMHSA-N 1 0 261.106 2.181 40 0 in-vivo CEABRO Cc1nn(C)cc1C[NH2+]Cc1cc(F)cc(F)c1 ZINC000012395223 361382266 /nfs/dbraw/zinc/38/22/66/361382266.db2.gz YBROCDMRJSGSFZ-UHFFFAOYSA-N 1 0 251.280 2.297 40 0 CEABRO CCn1cc2c(n1)nc(N1CCC([NH3+])CC1)cc2C(F)F ZINC000012398924 361382774 /nfs/dbraw/zinc/38/27/74/361382774.db2.gz AQHUZVMGZJNNKE-UHFFFAOYSA-N 1 0 295.337 2.316 40 0 CEABRO Cc1cccc(NC(=S)NC2CC[NH+](C)CC2)c1 ZINC000013775530 361442273 /nfs/dbraw/zinc/44/22/73/361442273.db2.gz CFUWBCWSSCVQIK-UHFFFAOYSA-N 1 0 263.410 2.376 40 0 CEABRO O=C1CCCN1CCC[NH2+]Cc1cccc2[nH]ccc21 ZINC000015423552 361472872 /nfs/dbraw/zinc/47/28/72/361472872.db2.gz BFGIAQRDGZSCMY-UHFFFAOYSA-N 1 0 271.364 2.270 40 0 CEABRO CCCCCO[C@@H]1NC(=[NH2+])Nc2nc3ccccc3n21 ZINC000016638552 361494607 /nfs/dbraw/zinc/49/46/07/361494607.db2.gz CONIABCENIXIKP-CQSZACIVSA-N 1 0 273.340 2.249 40 0 CEABRO C1=C[C@H]2C[C@@H]1C[C@H]2C[NH+]1CCN(Cc2cccnc2)CC1 ZINC000019339200 361528150 /nfs/dbraw/zinc/52/81/50/361528150.db2.gz CZWLDJFQTDJMFQ-NJAFHUGGSA-N 1 0 283.419 2.411 40 0 CEABRO c1ccc(CN2CCc3nc([C@@H]4CCC[NH2+]4)ncc3C2)cc1 ZINC000019372342 361529130 /nfs/dbraw/zinc/52/91/30/361529130.db2.gz VMOKBFZFSYDDDQ-KRWDZBQOSA-N 1 0 294.402 2.459 40 0 CEABRO C[C@@H](C(=O)N(C)Cc1nc2ccccc2[nH]1)[NH+]1CCCC1 ZINC000019077442 361519471 /nfs/dbraw/zinc/51/94/71/361519471.db2.gz HEWMVAASTMSSCE-LBPRGKRZSA-N 1 0 286.379 2.006 40 0 CEABRO Brc1cnc(N2CC[NH2+]CC2)c2ccccc12 ZINC000019721513 361548972 /nfs/dbraw/zinc/54/89/72/361548972.db2.gz OCIYHIDIWCIADH-UHFFFAOYSA-N 1 0 292.180 2.407 40 0 CEABRO Cc1nn(C)cc1-c1cncn1C[C@@H](C)[NH+]1CCCCC1 ZINC000019719525 361549232 /nfs/dbraw/zinc/54/92/32/361549232.db2.gz UUOVFNPMMNVNAF-CYBMUJFWSA-N 1 0 287.411 2.466 40 0 CEABRO O[C@@]1(c2ccccn2)CC[C@H]2C[N@H+](Cc3ccccn3)C[C@H]21 ZINC000019401898 361531322 /nfs/dbraw/zinc/53/13/22/361531322.db2.gz PLXNUAPBDCSVCJ-LESCRADOSA-N 1 0 295.386 2.206 40 0 CEABRO CC(C)(C)OC(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000026896775 361647040 /nfs/dbraw/zinc/64/70/40/361647040.db2.gz USHPJFZLSLVQET-CYBMUJFWSA-N 1 0 262.353 2.226 40 0 CEABRO CO[C@H]1C[N@H+](Cc2ccc(F)cc2)[C@@H]2CCCO[C@@H]21 ZINC000096186999 364406517 /nfs/dbraw/zinc/40/65/17/364406517.db2.gz JPTZMXRBWLMQRE-ILXRZTDVSA-N 1 0 265.328 2.204 40 0 CEABRO FC(F)(F)c1ccc(CN2C[C@@H]3C[C@H]2C[NH2+]3)cc1 ZINC000095869720 364393613 /nfs/dbraw/zinc/39/36/13/364393613.db2.gz CVZLBDBZMGLFJH-RYUDHWBXSA-N 1 0 256.271 2.252 40 0 CEABRO O[C@@H]1CC[N@H+](Cc2ccsc2)[C@H]1Cc1cccnc1 ZINC000096200098 364408320 /nfs/dbraw/zinc/40/83/20/364408320.db2.gz JHKJUWKWRPYCAI-LSDHHAIUSA-N 1 0 274.389 2.321 40 0 CEABRO c1cncc(N2CC[C@@H]3C[N@@H+](CC4CC4)C[C@@H]3C2)c1 ZINC000096081462 364400167 /nfs/dbraw/zinc/40/01/67/364400167.db2.gz XNJLQENLVMHYPQ-HUUCEWRRSA-N 1 0 257.381 2.250 40 0 CEABRO CC[NH+]1CCC2(CN(c3cccc(F)c3)C2=O)CC1 ZINC000096202940 364410415 /nfs/dbraw/zinc/41/04/15/364410415.db2.gz QETQPMDNNBWDJH-UHFFFAOYSA-N 1 0 262.328 2.274 40 0 CEABRO COC[C@@H]1C(=O)NCC12CC[NH+](CC1CCCCC1)CC2 ZINC000096208199 364410481 /nfs/dbraw/zinc/41/04/81/364410481.db2.gz KMVATKKRIWTQCY-OAHLLOKOSA-N 1 0 294.439 2.041 40 0 CEABRO C[NH+](C)[C@@H]1CCN(C(=O)c2ccco2)[C@H]1Cc1ccncc1 ZINC000096200986 364411564 /nfs/dbraw/zinc/41/15/64/364411564.db2.gz FXHAJEWETXVYKE-CABCVRRESA-N 1 0 299.374 2.062 40 0 CEABRO CCO[C@@H]1CC[N@H+](Cc2ccccc2OC)[C@H]2CCO[C@@H]21 ZINC000096217351 364413460 /nfs/dbraw/zinc/41/34/60/364413460.db2.gz SNFMYNCOGUDHJW-UAGQMJEPSA-N 1 0 291.391 2.464 40 0 CEABRO COCC[NH+]1CCC2(C[C@H](c3cccnc3)CO2)CC1 ZINC000096220284 364415047 /nfs/dbraw/zinc/41/50/47/364415047.db2.gz GLLDGHBACMAJJJ-HNNXBMFYSA-N 1 0 276.380 2.067 40 0 CEABRO CC(C)(C)CC(=O)N1CCC2(CC[C@@H](C[NH3+])OC2)CC1 ZINC000096268416 364420152 /nfs/dbraw/zinc/42/01/52/364420152.db2.gz WQXMZXKVUKLTDB-ZDUSSCGKSA-N 1 0 282.428 2.169 40 0 CEABRO c1ccc(N2CC[C@H]3[C@H]2CC[N@H+]3CC2CCOCC2)nc1 ZINC000107199362 364709650 /nfs/dbraw/zinc/70/96/50/364709650.db2.gz YRHITWJVNXSXKP-JKSUJKDBSA-N 1 0 287.407 2.161 40 0 CEABRO Fc1cccnc1OCC[C@H]1CCOC12CC[NH2+]CC2 ZINC000247501043 371117321 /nfs/dbraw/zinc/11/73/21/371117321.db2.gz FMYXXGKIJJFOKS-LBPRGKRZSA-N 1 0 280.343 2.148 40 0 CEABRO COc1ccc(C[NH+]2CC3(C2)C[C@H](OC)CS3)cc1 ZINC000247898770 371145199 /nfs/dbraw/zinc/14/51/99/371145199.db2.gz PVXLEHVIHRADND-AWEZNQCLSA-N 1 0 279.405 2.402 40 0 CEABRO O=c1[nH]c(CN2CC[N@@H+]3CCCC[C@H]3C2)nc2ccccc21 ZINC000253615639 371532203 /nfs/dbraw/zinc/53/22/03/371532203.db2.gz YGKOGHZPEDWOCB-ZDUSSCGKSA-N 1 0 298.390 2.006 40 0 CEABRO Cc1c(C[N@H+](C)[C@@H]2CCCN(c3ccccn3)C2)cnn1C ZINC000257251321 371609822 /nfs/dbraw/zinc/60/98/22/371609822.db2.gz JQGZFVCLIBCIAU-MRXNPFEDSA-N 1 0 299.422 2.224 40 0 CEABRO CC(C)(C)c1csc(NC(=O)NC[C@@H]2CCC[NH2+]2)n1 ZINC000333089019 205021406 /nfs/dbraw/zinc/02/14/06/205021406.db2.gz CCNAEBOYWSTLDZ-VIFPVBQESA-N 1 0 282.413 2.314 40 0 CEABRO COc1ccc(C[NH2+]Cc2cnn(CCF)c2)cc1 ZINC000256054533 190005320 /nfs/dbraw/zinc/00/53/20/190005320.db2.gz WSLRQKNYWTYJDD-UHFFFAOYSA-N 1 0 263.316 2.151 40 0 CEABRO COc1ccc(C[NH2+]Cc2ccnn2CCF)cc1 ZINC000256051653 190003747 /nfs/dbraw/zinc/00/37/47/190003747.db2.gz KAWORTOXXBUAAU-UHFFFAOYSA-N 1 0 263.316 2.151 40 0 CEABRO CCn1cc(C[NH2+]Cc2cnn(CC(C)C)c2)c(C)n1 ZINC000256052564 190004293 /nfs/dbraw/zinc/00/42/93/190004293.db2.gz NVPAPPVWDDMCLH-UHFFFAOYSA-N 1 0 275.400 2.354 40 0 CEABRO CC(C)n1nccc1-c1cnc(C[C@H]2CC[NH2+]C2)cn1 ZINC000257220402 190014899 /nfs/dbraw/zinc/01/48/99/190014899.db2.gz DKRYGHQMVNZDCM-GFCCVEGCSA-N 1 0 271.368 2.073 40 0 CEABRO O=C1CCCC[C@H]2[NH2+]CC[C@@H]2N1Cc1ccccc1F ZINC000257241238 190018360 /nfs/dbraw/zinc/01/83/60/190018360.db2.gz HXGKKFQQDNNXDX-CABCVRRESA-N 1 0 276.355 2.459 40 0 CEABRO CO[C@H]1C[N@H+](Cc2ccncc2C)CC[C@@]12CCCO2 ZINC000257317985 190032439 /nfs/dbraw/zinc/03/24/39/190032439.db2.gz VMAJVFGYWHKXRJ-HOTGVXAUSA-N 1 0 276.380 2.160 40 0 CEABRO O=C(CCc1cccnc1)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000257314400 190032737 /nfs/dbraw/zinc/03/27/37/190032737.db2.gz UWTXYCXEXKSTIU-QGZVFWFLSA-N 1 0 295.386 2.187 40 0 CEABRO Cn1nccc1-c1ncccc1C[C@H]1CCC[NH2+]C1 ZINC000257332182 190035440 /nfs/dbraw/zinc/03/54/40/190035440.db2.gz XWCULOUYMMSSFL-GFCCVEGCSA-N 1 0 256.353 2.024 40 0 CEABRO C[N@H+]1Cc2cccn2[C@@H](COCc2ccncc2)C1 ZINC000306131539 376541498 /nfs/dbraw/zinc/54/14/98/376541498.db2.gz KICUCZIDYQLQGS-OAHLLOKOSA-N 1 0 257.337 2.086 40 0 CEABRO Cc1cccc(OC[C@H](O)C[NH2+]C(C)(C)C)c1C ZINC000000000844 169502654 /nfs/dbraw/zinc/50/26/54/169502654.db2.gz RKUQLAPSGZJLGP-CYBMUJFWSA-N 1 0 251.370 2.431 40 0 in-man CEABRO c1cc(-c2ncnc3c2CC[N@H+](CC2CC2)CC3)ccn1 ZINC000096255259 256835738 /nfs/dbraw/zinc/83/57/38/256835738.db2.gz VQWVTAHKNRUBIJ-UHFFFAOYSA-N 1 0 280.375 2.349 40 0 CEABRO CC[N@@H+]1CCCC[C@@H]1c1cccnc1N1CCOCC1 ZINC000072216238 394593464 /nfs/dbraw/zinc/59/34/64/394593464.db2.gz IWONFYSGKVFFII-OAHLLOKOSA-N 1 0 275.396 2.465 40 0 CEABRO C[C@H]1C[N@@H+]2C[C@H](O)C[C@@H]2CN1Cc1cccc2ccccc21 ZINC000072324764 394598453 /nfs/dbraw/zinc/59/84/53/394598453.db2.gz ZGBDGAFMTAUITL-BMGDILEWSA-N 1 0 296.414 2.479 40 0 CEABRO Cc1cc(=O)n(C2CC[NH2+]CC2)nc1-c1ccccc1 ZINC000072397705 394598681 /nfs/dbraw/zinc/59/86/81/394598681.db2.gz TWZULJZXADJJPI-UHFFFAOYSA-N 1 0 269.348 2.143 40 0 CEABRO OCC[C@@H]1C[NH2+]Cc2cc(Br)ccc21 ZINC000095887548 394674594 /nfs/dbraw/zinc/67/45/94/394674594.db2.gz CQOOFUPYUVYKKU-MRVPVSSYSA-N 1 0 256.143 2.018 40 0 CEABRO CCOC[C@@]12CCCO[C@H]1CC[N@H+](CC1CCOCC1)C2 ZINC000096056861 394676215 /nfs/dbraw/zinc/67/62/15/394676215.db2.gz FXKMOSYEZHUKCQ-IRXDYDNUSA-N 1 0 297.439 2.321 40 0 CEABRO C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCC[NH+](C)C ZINC000010111689 170397769 /nfs/dbraw/zinc/39/77/69/170397769.db2.gz IVARFLDVJBBQGH-CYBMUJFWSA-N 1 0 292.423 2.429 40 0 CEABRO C[C@@H]1CN([C@@H](C[NH3+])c2ccc(Cl)cc2)C[C@@H](C)O1 ZINC000022212903 171374254 /nfs/dbraw/zinc/37/42/54/171374254.db2.gz AZNIWJXAYMFWFF-GYSYKLTISA-N 1 0 268.788 2.449 40 0 CEABRO CC[C@@H](Oc1cccc(C)c1)C(=O)NCCC[NH+](C)C ZINC000022515214 171389883 /nfs/dbraw/zinc/38/98/83/171389883.db2.gz OBHBSDYFLMOWBJ-OAHLLOKOSA-N 1 0 278.396 2.220 40 0 CEABRO Cc1nc2cc(NC(=O)CC3CC[NH2+]CC3)ccc2[nH]1 ZINC000038075488 174085846 /nfs/dbraw/zinc/08/58/46/174085846.db2.gz PBWFYCJLTJZDFU-UHFFFAOYSA-N 1 0 272.352 2.200 40 0 CEABRO Cc1cc(NCCc2ccccn2)nc(C2CC[NH2+]CC2)n1 ZINC000072365197 176380598 /nfs/dbraw/zinc/38/05/98/176380598.db2.gz NQVSCGMUQXASSD-UHFFFAOYSA-N 1 0 297.406 2.302 40 0 CEABRO O=C(Nc1ccc(F)cc1)c1cncc([C@H]2CCC[NH2+]2)n1 ZINC000072365614 176380656 /nfs/dbraw/zinc/38/06/56/176380656.db2.gz PVJWMLXOZBXOCY-GFCCVEGCSA-N 1 0 286.310 2.293 40 0 CEABRO C[NH+](C)CC(=O)N1CC[C@@H](Cc2cccc3cccnc32)C1 ZINC000072368198 176383380 /nfs/dbraw/zinc/38/33/80/176383380.db2.gz FGEIBZDPUROJGW-AWEZNQCLSA-N 1 0 297.402 2.187 40 0 CEABRO Cc1cccnc1Nc1cncc([C@@H]2CCC[NH2+]2)n1 ZINC000072376502 176385363 /nfs/dbraw/zinc/38/53/63/176385363.db2.gz NUZKDXQDWVSNGX-NSHDSACASA-N 1 0 255.325 2.348 40 0 CEABRO Cc1nc([C@H]2CCC[NH2+]2)nc2c1CCC(=O)N2CC(C)C ZINC000257199847 274845543 /nfs/dbraw/zinc/84/55/43/274845543.db2.gz ABAGGFLHJGYXMQ-CYBMUJFWSA-N 1 0 288.395 2.145 40 0 CEABRO CCOc1ccccc1C[C@@H](O)C[NH+](CC)CC ZINC000001672738 276382953 /nfs/dbraw/zinc/38/29/53/276382953.db2.gz JPRIUSQQGPTQME-CQSZACIVSA-N 1 0 251.370 2.331 40 0 CEABRO CC(C)(C)OC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000001657631 277183807 /nfs/dbraw/zinc/18/38/07/277183807.db2.gz MQRYAJNMMZHAHV-GFCCVEGCSA-N 1 0 254.374 2.482 40 0 CEABRO CC(C)(C)OC(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000001657632 277186102 /nfs/dbraw/zinc/18/61/02/277186102.db2.gz MQRYAJNMMZHAHV-LBPRGKRZSA-N 1 0 254.374 2.482 40 0 CEABRO Cc1noc(C)c1CC(=O)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000257297050 293925080 /nfs/dbraw/zinc/92/50/80/293925080.db2.gz RFOQHVDNVXKYJK-MRXNPFEDSA-N 1 0 299.374 2.007 40 0 CEABRO COC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccc(C)cc1Cl ZINC000409423985 623495646 /nfs/dbraw/zinc/49/56/46/623495646.db2.gz WMGICSLBYXLPRF-WDEREUQCSA-N 1 0 253.729 2.124 40 0 CEABRO CCN1C(=O)CC[C@]12CCC[N@H+](Cc1ccccn1)CC2 ZINC000096047505 185072868 /nfs/dbraw/zinc/07/28/68/185072868.db2.gz FBDQBYLYIACXTE-KRWDZBQOSA-N 1 0 287.407 2.449 40 0 CEABRO CC[N@@H+]1CCOC[C@@]2(CCCN(Cc3cccnc3)C2)C1 ZINC000096049600 185073079 /nfs/dbraw/zinc/07/30/79/185073079.db2.gz WSZUPJUTBFKXLZ-KRWDZBQOSA-N 1 0 289.423 2.016 40 0 CEABRO COC[C@@]12CCCO[C@@H]1CC[N@H+](Cc1ccco1)C2 ZINC000096056709 185077268 /nfs/dbraw/zinc/07/72/68/185077268.db2.gz MSHWUFSCDKMXQC-CABCVRRESA-N 1 0 265.353 2.297 40 0 CEABRO COC[C@@]12CCCO[C@@H]1CC[N@H+](Cc1ccncc1)C2 ZINC000096056727 185077346 /nfs/dbraw/zinc/07/73/46/185077346.db2.gz HVXOOPYFHMJWMJ-CVEARBPZSA-N 1 0 276.380 2.099 40 0 CEABRO CCOC[C@H]1C[N@H+](CC2CC2)Cc2cn(CC)nc21 ZINC000096059923 185080123 /nfs/dbraw/zinc/08/01/23/185080123.db2.gz ASDXBXUSYRDNSR-CQSZACIVSA-N 1 0 263.385 2.249 40 0 CEABRO C[C@H]1CCC[N@H+](C[C@H](O)COc2ccc(F)cc2)C1 ZINC000035031494 361804487 /nfs/dbraw/zinc/80/44/87/361804487.db2.gz NERBENWZMZEVBI-JSGCOSHPSA-N 1 0 267.344 2.297 40 0 CEABRO c1c2c(nn1CC1CC1)[C@H](C[NH2+]Cc1ccccn1)OCC2 ZINC000096059751 185081299 /nfs/dbraw/zinc/08/12/99/185081299.db2.gz LXMCKCIYPAPJJC-INIZCTEOSA-N 1 0 298.390 2.092 40 0 CEABRO O=C(Nc1ccccc1Cl)NC1CC[NH2+]CC1 ZINC000035782242 361823698 /nfs/dbraw/zinc/82/36/98/361823698.db2.gz WNCSOHVZNNTEOS-UHFFFAOYSA-N 1 0 253.733 2.214 40 0 CEABRO CCOC[C@]12COC[C@H]1C[N@H+](Cc1cccc(OC)c1)C2 ZINC000096108671 185099409 /nfs/dbraw/zinc/09/94/09/185099409.db2.gz SZDQLRNAGWIFQP-NVXWUHKLSA-N 1 0 291.391 2.180 40 0 CEABRO C[NH+](C)CC[C@@H]1CCCCN1c1ccnc(Cl)n1 ZINC000038579643 361987116 /nfs/dbraw/zinc/98/71/16/361987116.db2.gz QMTXWWPEGYMSFF-NSHDSACASA-N 1 0 268.792 2.441 40 0 CEABRO C[C@H](C[NH2+]CCN1CCCCC1)C(=O)OC(C)(C)C ZINC000047219047 362201898 /nfs/dbraw/zinc/20/18/98/362201898.db2.gz XOFUWVXHOXLLON-CYBMUJFWSA-N 1 0 270.417 2.040 40 0 CEABRO C[C@H](C[NH2+]Cc1ccccn1)C(=O)OC(C)(C)C ZINC000047219083 362201935 /nfs/dbraw/zinc/20/19/35/362201935.db2.gz CQJJEGFWAKINIZ-LLVKDONJSA-N 1 0 250.342 2.149 40 0 CEABRO C[C@H]1CC[C@@H](C[NH3+])CN1C(=O)OCc1ccccc1 ZINC000097759065 344245940 /nfs/dbraw/zinc/24/59/40/344245940.db2.gz LJXHWYWQZCPOBL-JSGCOSHPSA-N 1 0 262.353 2.382 40 0 CEABRO C[N@H+]1C[C@H]2c3ccccc3[C@@H](NC(=O)c3ccncc3)[C@H]2C1 ZINC000585109722 345005715 /nfs/dbraw/zinc/00/57/15/345005715.db2.gz LQHJEBGAUOJVID-YESZJQIVSA-N 1 0 293.370 2.212 40 0 CEABRO O[C@@]1(COc2ccccc2)COCC[N@@H+](C2CCCC2)C1 ZINC000585269044 345009414 /nfs/dbraw/zinc/00/94/14/345009414.db2.gz IRCJPLBHPGGJNP-QGZVFWFLSA-N 1 0 291.391 2.071 40 0 CEABRO CC(C)[N@@H+]1CCC[C@H]1c1cncc(-c2nccn2C)n1 ZINC000585178863 345009437 /nfs/dbraw/zinc/00/94/37/345009437.db2.gz UBYVYLCPNQCPSL-AWEZNQCLSA-N 1 0 271.368 2.422 40 0 CEABRO O[C@@H]1[C@@H](C[NH2+]Cc2cccnc2)CC[C@H]1Oc1ccccc1 ZINC000585285370 345009820 /nfs/dbraw/zinc/00/98/20/345009820.db2.gz BNHGGCDADNIVFI-KBAYOESNSA-N 1 0 298.386 2.390 40 0 CEABRO O=C1CC[C@@]2(CCC[N@H+](CCOc3ccccc3)C2)O1 ZINC000585282261 345009896 /nfs/dbraw/zinc/00/98/96/345009896.db2.gz CFFRVEKENJRPCS-MRXNPFEDSA-N 1 0 275.348 2.237 40 0 CEABRO C[C@H]1C[NH2+]CCN1Cc1ccc(Br)cc1F ZINC000054373874 362534002 /nfs/dbraw/zinc/53/40/02/362534002.db2.gz ZUWGEHXRRAUQLX-VIFPVBQESA-N 1 0 287.176 2.382 40 0 CEABRO C[C@@H]1CCCCN1C(=O)C[NH2+]Cc1ccc(F)cc1 ZINC000057467036 362581709 /nfs/dbraw/zinc/58/17/09/362581709.db2.gz PMQGCSFWARAKLH-GFCCVEGCSA-N 1 0 264.344 2.316 40 0 CEABRO c1ccc(C(c2ccccc2)N2CC3(C2)C[NH2+]CCO3)cc1 ZINC000066054954 362849276 /nfs/dbraw/zinc/84/92/76/362849276.db2.gz FQPRSKPPZBWITE-UHFFFAOYSA-N 1 0 294.398 2.450 40 0 CEABRO CCOC[C@H]1CC[C@H]2[C@H](CC[N@@H+]2Cc2c(C)noc2C)O1 ZINC000107206309 186162165 /nfs/dbraw/zinc/16/21/65/186162165.db2.gz VAUHOWLAXWIMEE-KBMXLJTQSA-N 1 0 294.395 2.450 40 0 CEABRO CCOC[C@H]1C[NH2+]Cc2cn(CC3CCCC3)nc21 ZINC000107491104 186175614 /nfs/dbraw/zinc/17/56/14/186175614.db2.gz ZIWCLBGXDCFSAB-CQSZACIVSA-N 1 0 263.385 2.297 40 0 CEABRO c1cn([C@H]2CO[C@@]3(C2)CCC[N@@H+](Cc2ccncc2)C3)cn1 ZINC000107731411 186189183 /nfs/dbraw/zinc/18/91/83/186189183.db2.gz QDQCLGDBADXANC-IAGOWNOFSA-N 1 0 298.390 2.274 40 0 CEABRO NNc1cc(-c2nc(-c3ccccc3)no2)cc[nH+]1 ZINC000070451560 363084110 /nfs/dbraw/zinc/08/41/10/363084110.db2.gz WQOROUGYFUOKMT-UHFFFAOYSA-N 1 0 253.265 2.084 40 0 CEABRO COc1ccc(CNC(=O)CC2CC[NH+](C)CC2)cc1 ZINC000074920918 363418916 /nfs/dbraw/zinc/41/89/16/363418916.db2.gz IGHKIARQPKKVOV-UHFFFAOYSA-N 1 0 276.380 2.043 40 0 CEABRO Brc1ccc([C@@H]2C[C@H]2CN2CC[NH2+]CC2)cc1 ZINC000575424319 366284096 /nfs/dbraw/zinc/28/40/96/366284096.db2.gz YWNHAKLRYRIPIH-JSGCOSHPSA-N 1 0 295.224 2.458 40 0 CEABRO Cc1nc(-c2ccccc2)ncc1[C@H](O)C[NH+](C)C ZINC000001593980 538736288 /nfs/dbraw/zinc/73/62/88/538736288.db2.gz QYTRDMIFXBEDOF-CQSZACIVSA-N 1 0 257.337 2.047 40 0 CEABRO CC[C@@H]1C[NH2+]CC2(CCN(C(=O)OC(C)(C)C)CC2)O1 ZINC000203815012 540295565 /nfs/dbraw/zinc/29/55/65/540295565.db2.gz NPZTVFQGUQUOKX-GFCCVEGCSA-N 1 0 284.400 2.155 40 0 CEABRO CC(C)(C)OC(=O)N1CCC(CSCC[NH3+])CC1 ZINC000079392245 363593847 /nfs/dbraw/zinc/59/38/47/363593847.db2.gz QSGFPTUFHIOCBQ-UHFFFAOYSA-N 1 0 274.430 2.325 40 0 CEABRO CC(C)[N@@H+](Cc1ccccc1)C[C@@H]1CCCN1CCO ZINC000079414264 363597564 /nfs/dbraw/zinc/59/75/64/363597564.db2.gz RJKYNHGNVDGRTA-KRWDZBQOSA-N 1 0 276.424 2.354 40 0 CEABRO O=S(=O)(c1ccc2ccccc2c1)C1CC[NH2+]CC1 ZINC000146023959 366574253 /nfs/dbraw/zinc/57/42/53/366574253.db2.gz VHKVWXNTBIDEEF-UHFFFAOYSA-N 1 0 275.373 2.366 40 0 CEABRO C[N@H+]1[C@@H]2CC[C@H]1CC(OC(=O)c1cccc(O)c1)C2 ZINC000000394485 361169295 /nfs/dbraw/zinc/16/92/95/361169295.db2.gz OJADCNKLFKWRHJ-ONXXMXGDSA-N 1 0 261.321 2.174 40 0 CEABRO O[C@H](C[n+]1cccc(Br)c1)c1ccccc1 ZINC000001668333 361214739 /nfs/dbraw/zinc/21/47/39/361214739.db2.gz MZMDBQVEADZUPX-CYBMUJFWSA-N 1 0 279.157 2.470 40 0 CEABRO CC[NH2+]CC(=O)Nc1ccc(C(=O)OCC(C)C)cc1 ZINC000001671419 361216113 /nfs/dbraw/zinc/21/61/13/361216113.db2.gz SPWYROJXMNMQSB-UHFFFAOYSA-N 1 0 278.352 2.047 40 0 CEABRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(N)cc1 ZINC000001733842 361220906 /nfs/dbraw/zinc/22/09/06/361220906.db2.gz HIIVEEDTMISUOQ-ZDUSSCGKSA-N 1 0 275.396 2.263 40 0 CEABRO CC[C@H](COC(=O)c1ccc(N)cc1)[NH2+]C(C)C ZINC000001995958 361225337 /nfs/dbraw/zinc/22/53/37/361225337.db2.gz WIOIBIXPEMRBHR-CYBMUJFWSA-N 1 0 250.342 2.202 40 0 CEABRO CCOCCC[NH2+]CC(=O)N[C@@]1(C)[C@@H]2CC[C@@H](C2)C1(C)C ZINC000004400750 361316470 /nfs/dbraw/zinc/31/64/70/361316470.db2.gz ADQOVMUDQNVVLB-VBQJREDUSA-N 1 0 296.455 2.334 40 0 CEABRO CC1(C)[C@H]2CC[C@]1(C)[C@H](SC1=[NH+]CCN1)C2=O ZINC000006755034 361338769 /nfs/dbraw/zinc/33/87/69/361338769.db2.gz YFDJJLGIQNHJNS-IYYTYJHQSA-N 1 0 252.383 2.073 40 0 CEABRO CC(=O)c1cccc(NC(=O)[C@H]2CCC[N@@H+](C)C2)c1 ZINC000082333254 363767069 /nfs/dbraw/zinc/76/70/69/363767069.db2.gz PZIFUDLUTOHULH-ZDUSSCGKSA-N 1 0 260.337 2.170 40 0 CEABRO CC(C)[C@H]([NH3+])C(=O)Nc1ccccc1Br ZINC000011959004 361370750 /nfs/dbraw/zinc/37/07/50/361370750.db2.gz CRPWRMXITAQRMW-JTQLQIEISA-N 1 0 271.158 2.371 40 0 CEABRO COc1cc(Br)c(OC)c2c1[C@@H](C[NH3+])C2 ZINC000013831237 361443432 /nfs/dbraw/zinc/44/34/32/361443432.db2.gz MPBCKKVERDTCEL-ZCFIWIBFSA-N 1 0 272.142 2.065 40 0 in-vitro CEABRO CCC[N@@H+]1CCc2nc(-c3cccnc3)[nH]c(=O)c2C1 ZINC000019503489 361539068 /nfs/dbraw/zinc/53/90/68/361539068.db2.gz MPBLZKYALAXPCR-UHFFFAOYSA-N 1 0 270.336 2.012 40 0 CEABRO COc1cc(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)cc(OC)c1 ZINC000019575720 361544208 /nfs/dbraw/zinc/54/42/08/361544208.db2.gz FZINEIJGXRZIID-ZFWWWQNUSA-N 1 0 290.407 2.372 40 0 CEABRO CC(C)(C)OC(=O)N[C@H]1CCN(c2ccccc2C[NH3+])C1 ZINC000089223655 363949988 /nfs/dbraw/zinc/94/99/88/363949988.db2.gz BWNGNOCDGYOGEC-ZDUSSCGKSA-N 1 0 291.395 2.249 40 0 CEABRO C[N@@H+]1CC[C@@H]2[C@@H]1CCN2C(=O)c1ccc2[nH]ccc2c1 ZINC000096184252 364406359 /nfs/dbraw/zinc/40/63/59/364406359.db2.gz BPIMRLWNTBFWRJ-LSDHHAIUSA-N 1 0 269.348 2.087 40 0 CEABRO CC(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCN2Cc1nccs1 ZINC000096184266 364407603 /nfs/dbraw/zinc/40/76/03/364407603.db2.gz KLWJCTJXSVBLCV-QWHCGFSZSA-N 1 0 265.426 2.448 40 0 CEABRO c1cc(C[N@@H+]2CCc3ncnc(N4CCCC4)c3CC2)co1 ZINC000096058716 364400610 /nfs/dbraw/zinc/40/06/10/364400610.db2.gz UMJTWYOYBMMAGF-UHFFFAOYSA-N 1 0 298.390 2.271 40 0 CEABRO c1csc(C[NH+]2C[C@@H]3CN(c4ncccn4)C[C@H]3C2)c1 ZINC000096053984 364400632 /nfs/dbraw/zinc/40/06/32/364400632.db2.gz ANIIWYBBFQLODF-CHWSQXEVSA-N 1 0 286.404 2.106 40 0 CEABRO C[NH+]1CCC2(CCOC[C@@H]2COc2cccnc2)CC1 ZINC000096207762 364410323 /nfs/dbraw/zinc/41/03/23/364410323.db2.gz RRWZSVPXICRWHZ-CQSZACIVSA-N 1 0 276.380 2.209 40 0 CEABRO Cc1nc(N2CCCC2)nc2c1C[N@H+](CC(C)C)CC2 ZINC000096253839 364416834 /nfs/dbraw/zinc/41/68/34/364416834.db2.gz BPKALYZURQVCBC-UHFFFAOYSA-N 1 0 274.412 2.399 40 0 CEABRO CN1CCO[C@@]2(CCC[N@H+](Cc3cccs3)C2)C1 ZINC000096268627 364420219 /nfs/dbraw/zinc/42/02/19/364420219.db2.gz AQSFSFPAVZSNHN-AWEZNQCLSA-N 1 0 266.410 2.045 40 0 CEABRO COCC[N@@H+]1CCC[C@]2(CN(CC3CCCCC3)C2=O)C1 ZINC000585099402 367177178 /nfs/dbraw/zinc/17/71/78/367177178.db2.gz ICUHPWCSWBVVHO-QGZVFWFLSA-N 1 0 294.439 2.138 40 0 CEABRO Cn1ccc(C(=O)N2CCC[C@]23CCC[N@H+](C)CC3)c1 ZINC000585100056 367177390 /nfs/dbraw/zinc/17/73/90/367177390.db2.gz DLARTBVCBMKICX-INIZCTEOSA-N 1 0 275.396 2.116 40 0 CEABRO CC1CC[NH+](CCCNC(=S)Nc2cccnc2)CC1 ZINC000225438029 189751733 /nfs/dbraw/zinc/75/17/33/189751733.db2.gz RXIVRYIOPPCERW-UHFFFAOYSA-N 1 0 292.452 2.490 40 0 CEABRO Cc1ccc(-c2ccc3nnc([C@@H]4CC[NH2+]C4)n3n2)cc1C ZINC000217557994 370196315 /nfs/dbraw/zinc/19/63/15/370196315.db2.gz XZIYNCSUXNWKQK-CQSZACIVSA-N 1 0 293.374 2.485 40 0 CEABRO Fc1ccc(-c2ccc3nnc([C@H]4CC[NH2+]C4)n3n2)cc1 ZINC000217558293 370196485 /nfs/dbraw/zinc/19/64/85/370196485.db2.gz SFSNXBYOJQTCEH-NSHDSACASA-N 1 0 283.310 2.007 40 0 CEABRO C[NH+]1CCC(NC(=S)Nc2c(F)cccc2F)CC1 ZINC000225799999 370319227 /nfs/dbraw/zinc/31/92/27/370319227.db2.gz ZAUOJSZNLOHWKC-UHFFFAOYSA-N 1 0 285.363 2.345 40 0 CEABRO CC[N@@H+]1CC[C@H]2COC(=O)N2c2cc(F)ccc2C1 ZINC000225484272 370298466 /nfs/dbraw/zinc/29/84/66/370298466.db2.gz HNJNIPOBPMSQPD-LBPRGKRZSA-N 1 0 264.300 2.377 40 0 biogenic,in-vitro CEABRO Cc1cccc(N2CCC[C@H]([N@H+](C)Cc3cnccn3)C2)n1 ZINC000257283740 371610299 /nfs/dbraw/zinc/61/02/99/371610299.db2.gz OZRQOWPLUUNGFS-INIZCTEOSA-N 1 0 297.406 2.281 40 0 CEABRO Cc1ncc(CN2CCCC[C@@H]2c2ccncn2)cn1 ZINC000257344140 371612808 /nfs/dbraw/zinc/61/28/08/371612808.db2.gz ZVXYHUUMVIMIJB-OAHLLOKOSA-N 1 0 269.352 2.302 40 0 CEABRO CCCn1cc(C[NH2+]Cc2cnn(CCF)c2)c(C)n1 ZINC000256050648 190003174 /nfs/dbraw/zinc/00/31/74/190003174.db2.gz FZDFLESSAOLXPT-UHFFFAOYSA-N 1 0 279.363 2.057 40 0 CEABRO COc1ccc(CN2C(=O)CCCC[C@@H]3[NH2+]CC[C@H]32)cc1 ZINC000257220305 190014850 /nfs/dbraw/zinc/01/48/50/190014850.db2.gz DKIJUCBBLRSRSM-JKSUJKDBSA-N 1 0 288.391 2.328 40 0 CEABRO CCCn1cc(-c2nccnc2CC2CC[NH2+]CC2)cn1 ZINC000257255961 190021481 /nfs/dbraw/zinc/02/14/81/190021481.db2.gz KJOQYVMRUDCXSC-UHFFFAOYSA-N 1 0 285.395 2.292 40 0 CEABRO Cc1c[nH]c([C@H]2CCC[N@@H+](Cc3cccn3C)C2)n1 ZINC000257257592 190021681 /nfs/dbraw/zinc/02/16/81/190021681.db2.gz KQHRQTRASQKBDO-ZDUSSCGKSA-N 1 0 258.369 2.436 40 0 CEABRO C[C@]12C[C@@H](Cc3ccccc3)[NH2+][C@H]1CCCC(=O)N2 ZINC000257281896 190025961 /nfs/dbraw/zinc/02/59/61/190025961.db2.gz ORJXFTZMFIKLGO-YCPHGPKFSA-N 1 0 258.365 2.018 40 0 CEABRO CC(C)[N@@H+]1CC[C@H](Cc2cnc(-c3ccnn3C)cn2)C1 ZINC000257282213 190026295 /nfs/dbraw/zinc/02/62/95/190026295.db2.gz OSXIFUZPJAPSAX-CYBMUJFWSA-N 1 0 285.395 2.150 40 0 CEABRO Cc1c[nH]nc1[C@H]1CCC[N@H+](Cc2[nH]cnc2C)C1 ZINC000257282237 190026401 /nfs/dbraw/zinc/02/64/01/190026401.db2.gz OSZCTUCPMDXIKM-LBPRGKRZSA-N 1 0 259.357 2.129 40 0 CEABRO Cc1cc(Nc2ccccn2)nc([C@@H]2CCC[NH2+]2)n1 ZINC000257296916 190028337 /nfs/dbraw/zinc/02/83/37/190028337.db2.gz REZSUINLXBZWHH-NSHDSACASA-N 1 0 255.325 2.348 40 0 CEABRO OC1(C[N@@H+]2CCC[C@H]2c2cnccn2)CCCCC1 ZINC000257299419 190029790 /nfs/dbraw/zinc/02/97/90/190029790.db2.gz RPZXYGIIZGFEHF-AWEZNQCLSA-N 1 0 261.369 2.309 40 0 CEABRO Cc1c[nH]c([C@H]2CC[N@H+](Cc3cccc(C)n3)C2)n1 ZINC000257314832 190032651 /nfs/dbraw/zinc/03/26/51/190032651.db2.gz UYQYGLOYQGJEBG-ZDUSSCGKSA-N 1 0 256.353 2.411 40 0 CEABRO c1cnc(Nc2cccc([C@@H]3CCC[NH2+]C3)n2)nc1 ZINC000257315792 190032947 /nfs/dbraw/zinc/03/29/47/190032947.db2.gz VCUCFGDZHLZTOG-LLVKDONJSA-N 1 0 255.325 2.082 40 0 CEABRO Cc1c[nH]nc1[C@@H]1CCC[N@@H+](Cc2cccn2C)C1 ZINC000257344014 190037684 /nfs/dbraw/zinc/03/76/84/190037684.db2.gz ZVLBDGVHJKFUBZ-CYBMUJFWSA-N 1 0 258.369 2.436 40 0 CEABRO O=C1N(CC2CC2)c2ccccc2C12CC[NH2+]CC2 ZINC000096062815 284852887 /nfs/dbraw/zinc/85/28/87/284852887.db2.gz FCDDISAITUQVJC-UHFFFAOYSA-N 1 0 256.349 2.064 40 0 CEABRO O=C1Nc2cccc(Br)c2C12CC[NH2+]CC2 ZINC000096029453 284928119 /nfs/dbraw/zinc/92/81/19/284928119.db2.gz OQQNBKGMVNNMCD-UHFFFAOYSA-N 1 0 281.153 2.022 40 0 CEABRO O=S(=O)(C[C@H]1CCC[NH2+]C1)c1ccc(Cl)cc1 ZINC000011967546 285037748 /nfs/dbraw/zinc/03/77/48/285037748.db2.gz PONMQUNTJPMFJA-JTQLQIEISA-N 1 0 273.785 2.113 40 0 CEABRO CCN(C[C@H]1CCCCN1CC[NH3+])C(=O)OC(C)(C)C ZINC000079408468 285082718 /nfs/dbraw/zinc/08/27/18/285082718.db2.gz VIFANLNRKDNXMO-CYBMUJFWSA-N 1 0 285.432 2.057 40 0 CEABRO CC(C)CC(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000033626916 256797959 /nfs/dbraw/zinc/79/79/59/256797959.db2.gz CMOPXVAYCDJVBI-UHFFFAOYSA-N 1 0 275.396 2.423 40 0 CEABRO C[NH+](C)[C@@H]1CCC2(CCN(C(N)=O)CC2)c2ccccc21 ZINC000096242659 256830829 /nfs/dbraw/zinc/83/08/29/256830829.db2.gz AJRSTBXBKFOZRS-OAHLLOKOSA-N 1 0 287.407 2.495 40 0 CEABRO CC(C)(C)[NH2+]C[C@@H](O)c1ncccc1Br ZINC000217530176 130760880 /nfs/dbraw/zinc/76/08/80/130760880.db2.gz LYDCAOGFURSQDD-SECBINFHSA-N 1 0 273.174 2.266 40 0 CEABRO COc1ccc(CN2CC[NH2+][C@@H]3CCCC[C@H]32)cc1 ZINC000218830014 394457489 /nfs/dbraw/zinc/45/74/89/394457489.db2.gz YNZVQPHDALLLHN-HZPDHXFCSA-N 1 0 260.381 2.412 40 0 CEABRO COC(=O)[C@@H]1C[C@@H]2c3cccc4[nH]cc(c43)C[C@H]2[N@H+](C)C1 ZINC000029483539 394482647 /nfs/dbraw/zinc/48/26/47/394482647.db2.gz OSKZYLPFYNARRX-UXIGCNINSA-N 1 0 284.359 2.301 40 0 CEABRO COC(=O)[C@H]1C[N@H+](C)C[C@H]1c1cccc(Cl)c1 ZINC000242495900 394495850 /nfs/dbraw/zinc/49/58/50/394495850.db2.gz GRUWZCAOPKGXBQ-RYUDHWBXSA-N 1 0 253.729 2.158 40 0 CEABRO CN(C)C(=O)C[C@H](c1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000072208350 394592446 /nfs/dbraw/zinc/59/24/46/394592446.db2.gz RLXNSCWXNSUTFX-LSDHHAIUSA-N 1 0 260.381 2.248 40 0 CEABRO CC[N@@H+]1CCC[C@H]1c1cnc(N2CCOCC2)c(C)c1 ZINC000072219332 394593245 /nfs/dbraw/zinc/59/32/45/394593245.db2.gz IRALUGSUEXLGFR-HNNXBMFYSA-N 1 0 275.396 2.383 40 0 CEABRO Fc1ccc(C[N@@H+]2CC[C@H]3[C@H]2CCN3c2ncccn2)cc1 ZINC000096055849 394675231 /nfs/dbraw/zinc/67/52/31/394675231.db2.gz XHBUQLORAMXZJA-CVEARBPZSA-N 1 0 298.365 2.469 40 0 CEABRO CN(C(=O)[C@@H]1C[C@@H]1c1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000161934511 395068224 /nfs/dbraw/zinc/06/82/24/395068224.db2.gz UWDQIUGKCINYGT-RRFJBIMHSA-N 1 0 258.365 2.001 40 0 CEABRO COc1cccc(-c2cnc(N)nc2[C@H]2CCC[NH2+]2)c1 ZINC000072354548 286438851 /nfs/dbraw/zinc/43/88/51/286438851.db2.gz INCSHUOKEXLURO-CYBMUJFWSA-N 1 0 270.336 2.159 40 0 CEABRO C[N@H+]1[C@@H]2CC[C@H]1CC(OC(=O)c1ccc(O)cc1)C2 ZINC000004773077 170014856 /nfs/dbraw/zinc/01/48/56/170014856.db2.gz VXNQEEYJSNEORM-ONXXMXGDSA-N 1 0 261.321 2.174 40 0 CEABRO CCC[C@@H](O)C[NH2+]Cc1ccnc2ccc(OC)cc12 ZINC000005839137 170146224 /nfs/dbraw/zinc/14/62/24/170146224.db2.gz YRZUVEVNOYPHKJ-CYBMUJFWSA-N 1 0 274.364 2.494 40 0 CEABRO O[C@@H](C[NH2+]C1CCCCC1)COc1ccccc1F ZINC000006528791 170210683 /nfs/dbraw/zinc/21/06/83/170210683.db2.gz OBIHEAQWURHEIK-ZDUSSCGKSA-N 1 0 267.344 2.488 40 0 CEABRO Cc1ccc(NC(=O)NC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000009876597 170388464 /nfs/dbraw/zinc/38/84/64/170388464.db2.gz BERVLBQEFXJNPB-ZDUSSCGKSA-N 1 0 261.369 2.458 40 0 CEABRO C[N@@H+]1CCC[C@H](CNC(=S)Nc2ccc(F)cc2)C1 ZINC000009876286 170388537 /nfs/dbraw/zinc/38/85/37/170388537.db2.gz DCZCCACBTACIPT-LLVKDONJSA-N 1 0 281.400 2.454 40 0 CEABRO COc1ccc(OC)c([C@@H](C[NH3+])N2CCC[C@@H](C)C2)c1 ZINC000022218430 171376969 /nfs/dbraw/zinc/37/69/69/171376969.db2.gz AXSOXHXUGNIETM-IUODEOHRSA-N 1 0 278.396 2.436 40 0 CEABRO C[C@H]1CCCN([C@@H](C[NH3+])c2ccc3c(c2)CCO3)C1 ZINC000037363647 173152288 /nfs/dbraw/zinc/15/22/88/173152288.db2.gz KTBRIIPUKAOJDI-WFASDCNBSA-N 1 0 260.381 2.353 40 0 CEABRO O=C(OCc1ccccc1)N1CC2(C1)CCC[NH2+]C2 ZINC000038530191 174143996 /nfs/dbraw/zinc/14/39/96/174143996.db2.gz ARHCKLGJNYKXPW-UHFFFAOYSA-N 1 0 260.337 2.009 40 0 CEABRO Brc1cccc(NC[C@@H]2CCC[NH2+]C2)n1 ZINC000040434972 174261053 /nfs/dbraw/zinc/26/10/53/174261053.db2.gz HMHUJQWVTMCYBM-SECBINFHSA-N 1 0 270.174 2.256 40 0 CEABRO CC1(C)[C@H](Cc2cc(CCO)on2)C[C@@H]1[NH2+]C1CCC1 ZINC000067889749 175799845 /nfs/dbraw/zinc/79/98/45/175799845.db2.gz YVZUMJHVAJYHPT-ABAIWWIYSA-N 1 0 278.396 2.309 40 0 biogenic,in-vitro CEABRO CCOC(=O)C[C@@](C)([NH2+]C)c1ccc(OC)cc1 ZINC000072210261 176342866 /nfs/dbraw/zinc/34/28/66/176342866.db2.gz FIXDDEWZLIVAEM-CQSZACIVSA-N 1 0 251.326 2.083 40 0 CEABRO Cc1ccccc1[C@H]1C[C@@H](O)[C@@H](O)[C@@H]1[NH2+]CC1CCCC1 ZINC000072321653 176368541 /nfs/dbraw/zinc/36/85/41/176368541.db2.gz RNAMHJBGXDMOFY-BRSBDYLESA-N 1 0 289.419 2.353 40 0 biogenic,in-vitro CEABRO CC(C)[C@H]([NH3+])Cn1nc(-c2ccc(F)c(F)c2)ccc1=O ZINC000072324169 176369575 /nfs/dbraw/zinc/36/95/75/176369575.db2.gz MMFIYYIHAKRVGG-CYBMUJFWSA-N 1 0 293.317 2.172 40 0 CEABRO C[N@@H+]1CCC[C@@H](c2cncc(Nc3ccccn3)n2)C1 ZINC000072354313 176374665 /nfs/dbraw/zinc/37/46/65/176374665.db2.gz IQAMLWZONWLZML-GFCCVEGCSA-N 1 0 269.352 2.424 40 0 CEABRO C[N@@H+]1CCC[C@H](c2nccnc2Nc2nccs2)C1 ZINC000072364725 176379811 /nfs/dbraw/zinc/37/98/11/176379811.db2.gz ONSQBBYKCJNLRL-JTQLQIEISA-N 1 0 275.381 2.486 40 0 CEABRO Cc1nc(Nc2nccs2)cc([C@@H]2CCC[NH2+]2)n1 ZINC000072382161 176388109 /nfs/dbraw/zinc/38/81/09/176388109.db2.gz PADMVBQTFZJAKV-VIFPVBQESA-N 1 0 261.354 2.410 40 0 CEABRO CNc1cncc([C@H]2CCC[N@@H+]2CC2CCOCC2)n1 ZINC000072386144 176391238 /nfs/dbraw/zinc/39/12/38/176391238.db2.gz KOCHMYYWFWBQEA-CQSZACIVSA-N 1 0 276.384 2.082 40 0 CEABRO Cc1nc(NCCc2ccccc2)cc([C@@H]2C[NH2+]CCO2)n1 ZINC000072386670 176392276 /nfs/dbraw/zinc/39/22/76/176392276.db2.gz SFGUQZPMQGSDAA-INIZCTEOSA-N 1 0 298.390 2.101 40 0 CEABRO OCc1cccc(-c2cnc([C@H]3CCC[NH2+]3)cn2)c1 ZINC000072386854 176392361 /nfs/dbraw/zinc/39/23/61/176392361.db2.gz UEDSRININKTUQV-CYBMUJFWSA-N 1 0 255.321 2.060 40 0 CEABRO CNc1ccc(C[C@@H]2CCC[N@H+](Cc3ccncc3)C2)nn1 ZINC000072387305 176392486 /nfs/dbraw/zinc/39/24/86/176392486.db2.gz GNELTGSHCDFXEZ-HNNXBMFYSA-N 1 0 297.406 2.368 40 0 CEABRO C[N@@H+]1CCC[C@@H](c2cccc(NC3CCOCC3)n2)C1 ZINC000072386972 176392548 /nfs/dbraw/zinc/39/25/48/176392548.db2.gz XUUMKHWIMUAXPE-CYBMUJFWSA-N 1 0 275.396 2.482 40 0 CEABRO Cc1cc(C[C@@H]2COC[C@H]2[NH2+]CCc2ccccc2)on1 ZINC000072395113 176394308 /nfs/dbraw/zinc/39/43/08/176394308.db2.gz OKWILTMKHGFZAG-NVXWUHKLSA-N 1 0 286.375 2.373 40 0 CEABRO O=C1CC[C@@H]([NH2+]Cc2cccnc2)[C@H](c2cccc(F)c2)N1 ZINC000072398319 176396401 /nfs/dbraw/zinc/39/64/01/176396401.db2.gz UIOBCSIQMBGWML-WBVHZDCISA-N 1 0 299.349 2.330 40 0 CEABRO CCN(CC[NH3+])Cc1ccc(Br)cc1 ZINC000076663597 177049873 /nfs/dbraw/zinc/04/98/73/177049873.db2.gz QCNRQHVGQKCOQI-UHFFFAOYSA-N 1 0 257.175 2.230 40 0 CEABRO OCC[C@H]1C[NH2+]Cc2cc(Br)ccc21 ZINC000095887546 260557948 /nfs/dbraw/zinc/55/79/48/260557948.db2.gz CQOOFUPYUVYKKU-QMMMGPOBSA-N 1 0 256.143 2.018 40 0 CEABRO O=C(NCC1CC1)C1=CC2(CC[NH2+]CC2)c2ccccc21 ZINC000096241601 265346151 /nfs/dbraw/zinc/34/61/51/265346151.db2.gz SJMWPNDCYUVMCY-UHFFFAOYSA-N 1 0 282.387 2.231 40 0 CEABRO C(C1CCCCC1)[N@@H+]1CCC[C@H]1c1nnc2n1CCNC2 ZINC000019705505 275389989 /nfs/dbraw/zinc/38/99/89/275389989.db2.gz ZCCXUVULJFCERL-AWEZNQCLSA-N 1 0 289.427 2.099 40 0 CEABRO CCO[C@H]1C[N@H+](Cc2scnc2C)[C@@H]2CCCO[C@@H]21 ZINC000107207307 276360141 /nfs/dbraw/zinc/36/01/41/276360141.db2.gz MATZKZKNIXWPCL-DYEKYZERSA-N 1 0 282.409 2.220 40 0 CEABRO CC(C)(C)OC(=O)N1CCC[C@H](CSCC[NH3+])C1 ZINC000079392241 277186136 /nfs/dbraw/zinc/18/61/36/277186136.db2.gz XSENHVZNOPXVQJ-NSHDSACASA-N 1 0 274.430 2.325 40 0 CEABRO COc1cc2c(cc1OC)C1(CCCC1)C[NH2+][C@@H]2CO ZINC000019419572 277853249 /nfs/dbraw/zinc/85/32/49/277853249.db2.gz LDHLAADAEBYNLN-CYBMUJFWSA-N 1 0 277.364 2.152 40 0 CEABRO C[C@@H]1C[NH2+]CCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000054370363 278837544 /nfs/dbraw/zinc/83/75/44/278837544.db2.gz UZBJCOBTFXILSB-MRVPVSSYSA-N 1 0 273.163 2.427 40 0 CEABRO COc1ccccc1C(=O)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000062709957 524343195 /nfs/dbraw/zinc/34/31/95/524343195.db2.gz SUBCTMLXNZNNJN-INIZCTEOSA-N 1 0 296.370 2.482 40 0 CEABRO c1cc(CN2C[C@@H]([NH+]3CCCC3)[C@H]3OCCC[C@H]3C2)co1 ZINC000096040594 185069245 /nfs/dbraw/zinc/06/92/45/185069245.db2.gz FUQWXTASEHCDJZ-BBWFWOEESA-N 1 0 290.407 2.355 40 0 CEABRO CC[C@@H]1[N@H+](Cc2ccco2)CCC[C@]12CCC(=O)N2 ZINC000096038490 185069351 /nfs/dbraw/zinc/06/93/51/185069351.db2.gz KPPFYYLQBYBTLG-ZFWWWQNUSA-N 1 0 262.353 2.303 40 0 CEABRO CC(C)C[N@@H+]1C[C@@H](OCc2ccccn2)[C@H]2OCCC[C@H]21 ZINC000096042556 185070088 /nfs/dbraw/zinc/07/00/88/185070088.db2.gz KOZXAIHNEUVMOG-ZACQAIPSSA-N 1 0 290.407 2.486 40 0 CEABRO CCN1CCC2(CC[NH+](Cc3c(C)noc3C)CC2)C1=O ZINC000096046741 185072067 /nfs/dbraw/zinc/07/20/67/185072067.db2.gz WJSSGBCCPGVXQY-UHFFFAOYSA-N 1 0 291.395 2.126 40 0 CEABRO c1cc(CN2C[C@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)co1 ZINC000096053784 185074982 /nfs/dbraw/zinc/07/49/82/185074982.db2.gz CVYSNAJBYFRQLK-HOTGVXAUSA-N 1 0 283.375 2.238 40 0 CEABRO c1csc(C[N@H+]2C[C@H]3CN(c4ncccn4)C[C@H]3C2)c1 ZINC000096053982 185075443 /nfs/dbraw/zinc/07/54/43/185075443.db2.gz ANIIWYBBFQLODF-BETUJISGSA-N 1 0 286.404 2.106 40 0 CEABRO CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(F)cc1 ZINC000096056467 185077502 /nfs/dbraw/zinc/07/75/02/185077502.db2.gz XYCBHOGUNAKMPR-ZIAGYGMSSA-N 1 0 262.328 2.021 40 0 CEABRO COC[C@@]12CCCO[C@@H]1CC[N@H+](Cc1cccnc1)C2 ZINC000096056723 185077805 /nfs/dbraw/zinc/07/78/05/185077805.db2.gz MUKJZWFPHMTUTQ-CVEARBPZSA-N 1 0 276.380 2.099 40 0 CEABRO CCOC[C@@H]1C[N@H+](CC2CC2)Cc2cn(CC)nc21 ZINC000096059922 185080924 /nfs/dbraw/zinc/08/09/24/185080924.db2.gz ASDXBXUSYRDNSR-AWEZNQCLSA-N 1 0 263.385 2.249 40 0 CEABRO C[C@H]1C[C@H]2C[N@H+](Cc3ccc4c(c3)OCO4)CC[C@H]2O1 ZINC000096066460 185084272 /nfs/dbraw/zinc/08/42/72/185084272.db2.gz MNAWBLXHYPBYCP-FPMFFAJLSA-N 1 0 275.348 2.415 40 0 CEABRO COC[C@]12COC[C@H]1C[N@H+](Cc1ccc3ccccc3n1)C2 ZINC000096108641 185099523 /nfs/dbraw/zinc/09/95/23/185099523.db2.gz JVVYNXVQGSBEDW-CRAIPNDOSA-N 1 0 298.386 2.330 40 0 CEABRO O=C(Nc1ccc(Cl)cc1F)C1CC[NH2+]CC1 ZINC000037029082 361887110 /nfs/dbraw/zinc/88/71/10/361887110.db2.gz AMDNPMIZVKEZNR-UHFFFAOYSA-N 1 0 256.708 2.417 40 0 CEABRO CNc1nc(N2CCc3ccccc3C2)cc(C2CC2)[nH+]1 ZINC000329000703 136377128 /nfs/dbraw/zinc/37/71/28/136377128.db2.gz KBZYPIFMQHXZQD-UHFFFAOYSA-N 1 0 280.375 2.380 40 0 CEABRO Cc1nc2cncc(Br)c2n1CC[NH+](C)C ZINC000096311302 344239324 /nfs/dbraw/zinc/23/93/24/344239324.db2.gz MOHSZYZBMOHJTH-UHFFFAOYSA-N 1 0 283.173 2.064 40 0 CEABRO CCN(Cc1ccccc1)[C@H]1CCCC[C@H]1[NH2+]CCO ZINC000101674277 344248870 /nfs/dbraw/zinc/24/88/70/344248870.db2.gz GAMVUPFKLNSLOS-SJORKVTESA-N 1 0 276.424 2.402 40 0 CEABRO COC(=O)[C@@H]1C[N@H+](C)C[C@H]1c1ccc(Cl)cc1 ZINC000209230716 344530291 /nfs/dbraw/zinc/53/02/91/344530291.db2.gz VXRLOWUNYIQIGZ-NWDGAFQWSA-N 1 0 253.729 2.158 40 0 CEABRO Cc1nc(N2CCc3ccccc3C2)cc(N[C@H](C)CO)[nH+]1 ZINC000328960471 344758401 /nfs/dbraw/zinc/75/84/01/344758401.db2.gz AYFXUGFJUPCMHS-GFCCVEGCSA-N 1 0 298.390 2.140 40 0 CEABRO [NH3+]CCn1nc(-c2cccs2)c2c1CCSC2 ZINC000409439786 344889400 /nfs/dbraw/zinc/88/94/00/344889400.db2.gz QRGLXQDNCDSSPT-UHFFFAOYSA-N 1 0 265.407 2.360 40 0 CEABRO CC(C)[C@H](C(=[NH2+])NO)N(C(=O)OC(C)(C)C)C1CC1 ZINC000409442443 344890019 /nfs/dbraw/zinc/89/00/19/344890019.db2.gz VCWQREZZVCXDLM-SNVBAGLBSA-N 1 0 271.361 2.367 40 0 CEABRO c1ccc(O[C@@H]2CCOC3(C[NH+](CC4CCC4)C3)C2)nc1 ZINC000585105545 345005533 /nfs/dbraw/zinc/00/55/33/345005533.db2.gz ZGKOSIICHVBSLS-OAHLLOKOSA-N 1 0 288.391 2.494 40 0 CEABRO CC(C)CC[N@@H+]1C[C@@H]2CN(c3ncccn3)CC[C@@H]21 ZINC000585107982 345005767 /nfs/dbraw/zinc/00/57/67/345005767.db2.gz PYXNWZCQMGQFSB-KGLIPLIRSA-N 1 0 260.385 2.033 40 0 CEABRO CNC(=O)C[NH+]1CCC(Cc2cnc3ccccc3c2)CC1 ZINC000585171872 345009431 /nfs/dbraw/zinc/00/94/31/345009431.db2.gz KOMSTXOXJGHGPT-UHFFFAOYSA-N 1 0 297.402 2.235 40 0 CEABRO CCC[NH2+][C@H]1CCC[C@@H](Oc2cccc(F)c2)[C@@H]1O ZINC000585289044 345010549 /nfs/dbraw/zinc/01/05/49/345010549.db2.gz DOMAAJFHSRUTNN-RRFJBIMHSA-N 1 0 267.344 2.486 40 0 CEABRO C[C@@H]1C[NH2+]CCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000054370299 362532116 /nfs/dbraw/zinc/53/21/16/362532116.db2.gz YWLCRESFGSOMRL-MRVPVSSYSA-N 1 0 273.163 2.427 40 0 CEABRO Cc1ccc(-c2ccc3nnc([C@H](C)[NH3+])n3n2)cc1 ZINC000058021727 362606250 /nfs/dbraw/zinc/60/62/50/362606250.db2.gz IIXXTPPPLNYPTC-JTQLQIEISA-N 1 0 253.309 2.119 40 0 CEABRO CCCCc1ccc(-n2ncc3c2nc[nH+]c3NN)cc1 ZINC000085398077 179050473 /nfs/dbraw/zinc/05/04/73/179050473.db2.gz BZYTVOXLBLLAPA-UHFFFAOYSA-N 1 0 282.351 2.444 40 0 CEABRO [NH3+][C@H]1CC12CCN(C(=O)OCc1ccccc1)CC2 ZINC000091361777 180141662 /nfs/dbraw/zinc/14/16/62/180141662.db2.gz MAIUNOFRWGGGQG-ZDUSSCGKSA-N 1 0 260.337 2.136 40 0 CEABRO COc1cccc(CCCNC(=O)[C@@H]2CCC[N@H+](C)C2)c1 ZINC000073306978 363209486 /nfs/dbraw/zinc/20/94/86/363209486.db2.gz CDYHDGZVDLWOIG-OAHLLOKOSA-N 1 0 290.407 2.086 40 0 CEABRO Cc1ccc(CNC(=O)CC2CC[NH+](C)CC2)cc1 ZINC000074920910 363418804 /nfs/dbraw/zinc/41/88/04/363418804.db2.gz DCEHUYMNMOIDJO-UHFFFAOYSA-N 1 0 260.381 2.343 40 0 CEABRO CC(C)[C@H]([NH3+])C(=O)N(CC(=O)c1cccs1)C(C)C ZINC000079436336 363600307 /nfs/dbraw/zinc/60/03/07/363600307.db2.gz DTXBCHQYTOLEAZ-ZDUSSCGKSA-N 1 0 282.409 2.151 40 0 CEABRO CN(C[C@@H]1CCC[NH2+]C1)C(=O)OCc1ccccc1 ZINC000079437747 363599902 /nfs/dbraw/zinc/59/99/02/363599902.db2.gz UMODLRUMOADCNC-CQSZACIVSA-N 1 0 262.353 2.255 40 0 CEABRO COC(=O)[C@]12CCC[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC000001437838 361206344 /nfs/dbraw/zinc/20/63/44/361206344.db2.gz DFKYQTUJTMSPII-HOCLYGCPSA-N 1 0 259.349 2.462 40 0 CEABRO O=C(OCC[NH2+]C1CCCCC1)c1ccccc1O ZINC000001710458 361218731 /nfs/dbraw/zinc/21/87/31/361218731.db2.gz NQSDSKVDBXPVOU-UHFFFAOYSA-N 1 0 263.337 2.471 40 0 CEABRO O=C(CCSC1=[NH+]CCCN1)c1ccc(F)cc1 ZINC000001759554 361222578 /nfs/dbraw/zinc/22/25/78/361222578.db2.gz CSMJHQTUFBAISR-UHFFFAOYSA-N 1 0 266.341 2.481 40 0 CEABRO CC(C)[NH2+]C[C@H](O)COc1cccc2cc([C@@H](C)O)oc21 ZINC000002002687 361224775 /nfs/dbraw/zinc/22/47/75/361224775.db2.gz SOBIXRUSPZTLPQ-YPMHNXCESA-N 1 0 293.363 2.224 40 0 CEABRO CC[NH+](CC)C[C@H](C)N1C(=O)c2ccccc2C1=O ZINC000004538351 361321343 /nfs/dbraw/zinc/32/13/43/361321343.db2.gz RGFKOOZRPSXRKG-NSHDSACASA-N 1 0 260.337 2.013 40 0 CEABRO COC(=O)[C@H](c1ccccc1)[C@@]1(O)C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000013122902 361419058 /nfs/dbraw/zinc/41/90/58/361419058.db2.gz XGFOAXWEGYBKCA-UICACZKSSA-N 1 0 291.391 2.034 40 0 CEABRO CCN(CC)[C@H](C[NH3+])c1cc(OC)cc(OC)c1 ZINC000019840874 361560969 /nfs/dbraw/zinc/56/09/69/361560969.db2.gz JTGMSFFSSBPGRA-CQSZACIVSA-N 1 0 252.358 2.045 40 0 CEABRO CCc1noc(C)c1C(=O)NCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000019521279 361541321 /nfs/dbraw/zinc/54/13/21/361541321.db2.gz NHUFTFRNDTUMSC-TXEJJXNPSA-N 1 0 293.411 2.253 40 0 CEABRO CCCn1ncc(C(=O)N2CCCC[C@@H]2C[NH+](C)C)c1C ZINC000019525876 361541375 /nfs/dbraw/zinc/54/13/75/361541375.db2.gz PNTZVDQRMKRXIQ-CQSZACIVSA-N 1 0 292.427 2.158 40 0 CEABRO CCSc1nc(=NN)c2c3c(sc2[nH]1)C[N@@H+](C)CC3 ZINC000019882135 361565051 /nfs/dbraw/zinc/56/50/51/361565051.db2.gz JAMZSUVBVZQBGW-UHFFFAOYSA-N 1 0 295.437 2.077 40 0 CEABRO COc1ccccc1CN1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000019575792 361543702 /nfs/dbraw/zinc/54/37/02/361543702.db2.gz KCENCVINDMTRRT-DZGCQCFKSA-N 1 0 260.381 2.364 40 0 CEABRO CCN(CC)CC[NH2+][C@H](C)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000022931231 361590928 /nfs/dbraw/zinc/59/09/28/361590928.db2.gz CXSVMOSHBAQULZ-QLFBSQMISA-N 1 0 283.460 2.096 40 0 CEABRO Cc1ccc2cc(C[NH2+]CCN3CCCC3)c(=O)[nH]c2c1 ZINC000023247906 361596636 /nfs/dbraw/zinc/59/66/36/361596636.db2.gz FRNNTPMCWPFBRE-UHFFFAOYSA-N 1 0 285.391 2.022 40 0 CEABRO c1cc(CN2CC[C@H]3[C@H]2CC[N@H+]3CC2CCOCC2)co1 ZINC000096055807 364400076 /nfs/dbraw/zinc/40/00/76/364400076.db2.gz GAXMHOMYLBQFGP-DLBZAZTESA-N 1 0 290.407 2.355 40 0 CEABRO CCc1ccc(C[NH+]2CCC3(CCCC(=O)N3)CC2)o1 ZINC000096158564 364403415 /nfs/dbraw/zinc/40/34/15/364403415.db2.gz FGLUHRTYBRBVKA-UHFFFAOYSA-N 1 0 276.380 2.477 40 0 CEABRO Cc1cnc(N2CC[C@@]3(CCC[N@@H+]3CC3CC3)C2)nc1 ZINC000096203051 364410422 /nfs/dbraw/zinc/41/04/22/364410422.db2.gz POHHTZHUTRRTBT-INIZCTEOSA-N 1 0 272.396 2.240 40 0 CEABRO COC[C@H]1C(=O)N(c2ccccc2)CC12CC[NH+](C)CC2 ZINC000096206144 364411394 /nfs/dbraw/zinc/41/13/94/364411394.db2.gz JLFNNZMBAHIWIC-HNNXBMFYSA-N 1 0 288.391 2.008 40 0 CEABRO c1coc(C[N@H+]2C[C@@H]3COC[C@]3(CNc3ccccn3)C2)c1 ZINC000096220551 364414584 /nfs/dbraw/zinc/41/45/84/364414584.db2.gz PKNIGGQFKYXCPO-PBHICJAKSA-N 1 0 299.374 2.235 40 0 CEABRO COc1ncnc2c1CC[N@H+](Cc1ccc(C)s1)CC2 ZINC000096255560 364418859 /nfs/dbraw/zinc/41/88/59/364418859.db2.gz JPJQLJFDQAJOTG-UHFFFAOYSA-N 1 0 289.404 2.456 40 0 CEABRO C[N@@H+]1CC[C@]2(CCN(C(=O)C3CCCCC3)C2)C1 ZINC000096268644 364420865 /nfs/dbraw/zinc/42/08/65/364420865.db2.gz RLWOFVCKJCIBQM-HNNXBMFYSA-N 1 0 250.386 2.121 40 0 CEABRO C/C=C1/C[N@@H+]2[C@H]3C[C@@]45c6ccccc6N[C@H]4[C@@H]2C[C@@H]1[C@@H]3[C@H]5O ZINC000098214474 364538362 /nfs/dbraw/zinc/53/83/62/364538362.db2.gz HEKXGHRRYWMPER-YYXQOZPVSA-N 1 0 294.398 2.132 40 0 CEABRO CN1C[C@]2(CCC[N@H+](CC3CCCCC3)C2)C1=O ZINC000585099351 367177882 /nfs/dbraw/zinc/17/78/82/367177882.db2.gz GXCCMVQNPAVUCT-HNNXBMFYSA-N 1 0 250.386 2.121 40 0 CEABRO CCOc1ccccc1C(=O)N1CCC[C@]2(CC[N@@H+]2C)C1 ZINC000585101931 367177986 /nfs/dbraw/zinc/17/79/86/367177986.db2.gz LWLLRDWMCMXZMY-KRWDZBQOSA-N 1 0 288.391 2.396 40 0 CEABRO CC[NH+](CC)CCCNCc1cnn(C(C)C)c1 ZINC000226237375 189769884 /nfs/dbraw/zinc/76/98/84/189769884.db2.gz INDIEIOJRWFITN-UHFFFAOYSA-N 1 0 252.406 2.286 40 0 CEABRO O=C(N[C@@H]1C[NH+]2CCC1CC2)c1cccc2c1CCCC2 ZINC000013832754 284124343 /nfs/dbraw/zinc/12/43/43/284124343.db2.gz UKUDKGCYXPIZRH-QGZVFWFLSA-N 1 0 284.403 2.389 40 0 CEABRO COC(C)(C)C(=O)Nc1ccc(OCCC[NH+](C)C)cc1 ZINC000225599439 370306957 /nfs/dbraw/zinc/30/69/57/370306957.db2.gz XWRLEZCMFMFXDN-UHFFFAOYSA-N 1 0 294.395 2.381 40 0 CEABRO COc1cccc(C[NH+]2CC3(C2)C[C@H](OC)CS3)c1 ZINC000247902387 371145856 /nfs/dbraw/zinc/14/58/56/371145856.db2.gz RBCREPGQECSWSF-AWEZNQCLSA-N 1 0 279.405 2.402 40 0 CEABRO O[C@@H]1CCCOC12CC[NH+](CCOc1ccccc1)CC2 ZINC000257242615 190018376 /nfs/dbraw/zinc/01/83/76/190018376.db2.gz IDIGZMPINRWGRO-MRXNPFEDSA-N 1 0 291.391 2.071 40 0 CEABRO CC(C)n1nccc1-c1nccnc1C[C@@H]1CCC[NH2+]C1 ZINC000257260967 190022291 /nfs/dbraw/zinc/02/22/91/190022291.db2.gz LFFSEWLEGQEJFQ-ZDUSSCGKSA-N 1 0 285.395 2.463 40 0 CEABRO c1cc2ccc(C[C@H]3COC4(C3)CC[NH2+]CC4)nc2[nH]1 ZINC000257284866 190026485 /nfs/dbraw/zinc/02/64/85/190026485.db2.gz PEQZWSPLOKVZTK-GFCCVEGCSA-N 1 0 271.364 2.264 40 0 CEABRO Cc1csc(Nc2cccc([C@H]3C[NH2+]CCO3)n2)n1 ZINC000257300514 190029533 /nfs/dbraw/zinc/02/95/33/190029533.db2.gz RUORNWFKVMJJIA-LLVKDONJSA-N 1 0 276.365 2.251 40 0 CEABRO C[N@@H+]1CCCC[C@@H]1c1cncc(NCC2CCOCC2)n1 ZINC000257314721 190032868 /nfs/dbraw/zinc/03/28/68/190032868.db2.gz UYEHIZZCPBIONY-OAHLLOKOSA-N 1 0 290.411 2.472 40 0 CEABRO Cc1cnc([C@@H]2CCCN(C(=O)C3([NH3+])CCCC3)C2)s1 ZINC000257328589 190034868 /nfs/dbraw/zinc/03/48/68/190034868.db2.gz XGIGHSKPVZGFOZ-GFCCVEGCSA-N 1 0 293.436 2.429 40 0 CEABRO C[C@H]1CC[NH2+]CC[C@@H]1NC(=O)OCc1ccccc1 ZINC000261507376 190039979 /nfs/dbraw/zinc/03/99/79/190039979.db2.gz HWLRDBIWEWMSFI-JSGCOSHPSA-N 1 0 262.353 2.301 40 0 CEABRO O=C(N[C@H]1CC[NH2+]CC[C@H]1F)OCc1ccccc1 ZINC000261508637 190040019 /nfs/dbraw/zinc/04/00/19/190040019.db2.gz VLEBJDUSYLRIHB-OLZOCXBDSA-N 1 0 266.316 2.003 40 0 CEABRO Cc1cccc(COC[C@]23CCCO[C@H]2CC[NH2+]C3)n1 ZINC000306123904 376539822 /nfs/dbraw/zinc/53/98/22/376539822.db2.gz BACGSRYHTFYRJK-JKSUJKDBSA-N 1 0 276.380 2.065 40 0 CEABRO O=C1c2cc(Br)ccc2CN1[C@@H]1CCC[NH2+]C1 ZINC000095097796 285013936 /nfs/dbraw/zinc/01/39/36/285013936.db2.gz CHSDGSHWTUEJHC-LLVKDONJSA-N 1 0 295.180 2.157 40 0 CEABRO COc1cc(N[C@H]2CCC[C@H]2[NH3+])cc(OC)c1OC ZINC000218883366 130771545 /nfs/dbraw/zinc/77/15/45/130771545.db2.gz ZWKWMKZJULGQCS-MNOVXSKESA-N 1 0 266.341 2.004 40 0 CEABRO CC(C)[N@@H+]1C[C@@H]2Cc3nc(NCC4CC4)ncc3[C@@H]2C1 ZINC000306144973 394513627 /nfs/dbraw/zinc/51/36/27/394513627.db2.gz ZTUHRCQNILDEKU-GXTWGEPZSA-N 1 0 272.396 2.278 40 0 CEABRO COc1ccc(OC)c([C@@H](C[NH3+])N2CCC[C@H](C)C2)c1 ZINC000251578492 394568504 /nfs/dbraw/zinc/56/85/04/394568504.db2.gz AXSOXHXUGNIETM-SWLSCSKDSA-N 1 0 278.396 2.436 40 0 CEABRO CCOC(=O)[C@@H](C[NH3+])C(C)(C)Nc1ccc(OC)cc1 ZINC000072210416 394591957 /nfs/dbraw/zinc/59/19/57/394591957.db2.gz FFONIHQOCSNMJJ-CYBMUJFWSA-N 1 0 280.368 2.024 40 0 CEABRO Cc1cc(I)ncc1[C@H](C)[NH3+] ZINC000072225989 394595493 /nfs/dbraw/zinc/59/54/93/394595493.db2.gz WKYLUCXHDWKPGJ-LURJTMIESA-N 1 0 262.094 2.014 40 0 CEABRO CC(C)(C)c1cc2ncc3c(n2n1)C[C@H]1CC[C@@H]3[NH2+]1 ZINC000072398072 394598173 /nfs/dbraw/zinc/59/81/73/394598173.db2.gz QQOZZHZDHNOWHK-KOLCDFICSA-N 1 0 256.353 2.376 40 0 CEABRO COc1ccc([C@H]2CN(C(C)=O)[C@@H]3CCC[N@H+](C)[C@@H]32)cc1 ZINC000257252997 286378585 /nfs/dbraw/zinc/37/85/85/286378585.db2.gz JXDFFWGOKYYFHE-BRWVUGGUSA-N 1 0 288.391 2.104 40 0 CEABRO CC[C@H](C)c1ccccc1OC[C@@H](O)C[NH2+]C(C)(C)CO ZINC000002694557 169820493 /nfs/dbraw/zinc/82/04/93/169820493.db2.gz AGPAYWCUBYITJP-KBPBESRZSA-N 1 0 295.423 2.300 40 0 CEABRO COc1ccc(NC(=S)NCC[NH+](C)C)cc1Cl ZINC000007521490 170288576 /nfs/dbraw/zinc/28/85/76/170288576.db2.gz XMTMNCSIIKTNGP-UHFFFAOYSA-N 1 0 287.816 2.197 40 0 CEABRO CC[NH+](CC)CCNC(=O)c1ccc(F)cc1F ZINC000019074440 170751730 /nfs/dbraw/zinc/75/17/30/170751730.db2.gz AEMVGAQVNWYQRY-UHFFFAOYSA-N 1 0 256.296 2.036 40 0 CEABRO C[C@H](Cn1cncc1-c1cnn(C)c1)[NH+]1CCC(C)CC1 ZINC000019719479 170843011 /nfs/dbraw/zinc/84/30/11/170843011.db2.gz DXCPOLGXOMBIHY-CQSZACIVSA-N 1 0 287.411 2.404 40 0 CEABRO CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCC[NH+](C)C ZINC000038755021 174154920 /nfs/dbraw/zinc/15/49/20/174154920.db2.gz YGVHNJKDQRNSPT-OAHLLOKOSA-N 1 0 278.396 2.139 40 0 CEABRO COc1cccc([C@@H](C[NH3+])N2CCCCC2)c1OC ZINC000038827636 174157242 /nfs/dbraw/zinc/15/72/42/174157242.db2.gz ITECMPTUMRUARS-CYBMUJFWSA-N 1 0 264.369 2.190 40 0 CEABRO O=C(Nc1ccc(F)cc1)c1cncc([C@@H]2CCC[NH2+]2)n1 ZINC000072365613 176380790 /nfs/dbraw/zinc/38/07/90/176380790.db2.gz PVJWMLXOZBXOCY-LBPRGKRZSA-N 1 0 286.310 2.293 40 0 CEABRO Cc1nc(Nc2ccccn2)cc([C@@H]2CCC[NH2+]2)n1 ZINC000072382153 176388332 /nfs/dbraw/zinc/38/83/32/176388332.db2.gz JIGVWOJAJBSDPA-NSHDSACASA-N 1 0 255.325 2.348 40 0 CEABRO C[N@@H+]1CCC[C@@H](C(=O)NCCSCc2ccccc2)C1 ZINC000078578508 177356242 /nfs/dbraw/zinc/35/62/42/177356242.db2.gz GWMBJIYUXPRHEP-OAHLLOKOSA-N 1 0 292.448 2.378 40 0 CEABRO O=C(OCc1ccccc1)N1CC[C@@H](C[NH2+]C2CC2)C1 ZINC000079437278 177490502 /nfs/dbraw/zinc/49/05/02/177490502.db2.gz FIGCSISCBXSSDS-AWEZNQCLSA-N 1 0 274.364 2.397 40 0 CEABRO C[NH2+][C@@H]1CCCC[C@H]1NC(=O)OCc1ccccc1 ZINC000079437142 177490602 /nfs/dbraw/zinc/49/06/02/177490602.db2.gz ZBBFTRDSLJSSGF-ZIAGYGMSSA-N 1 0 262.353 2.443 40 0 CEABRO CCN1C(=O)C[C@H](c2ccccc2)C12CC[NH2+]CC2 ZINC000096261201 265349097 /nfs/dbraw/zinc/34/90/97/265349097.db2.gz XUBXPVJTTXFASQ-CQSZACIVSA-N 1 0 258.365 2.145 40 0 CEABRO COc1ccc2c(c1)[C@H](O)[C@@H]([NH2+]Cc1ccccc1)C2 ZINC000031912096 274139647 /nfs/dbraw/zinc/13/96/47/274139647.db2.gz QOAGIRXXYXCYCD-IRXDYDNUSA-N 1 0 269.344 2.443 40 0 CEABRO C[C@@H]1CCCC[N@@H+]1[C@H]1CC(=O)N(c2ccccc2)C1=O ZINC000248127803 274287095 /nfs/dbraw/zinc/28/70/95/274287095.db2.gz XOJZOOPMSCPKHK-OCCSQVGLSA-N 1 0 272.348 2.193 40 0 CEABRO OCC[NH+](CCO)[C@H](Cc1ccccc1)c1ccccc1 ZINC000006580799 275046191 /nfs/dbraw/zinc/04/61/91/275046191.db2.gz KYKJAPSXLBLFQD-GOSISDBHSA-N 1 0 285.387 2.257 40 0 CEABRO Brc1ccc2c(c1)OCC[C@]21CC[NH2+]1 ZINC000306145718 275371635 /nfs/dbraw/zinc/37/16/35/275371635.db2.gz OMZUUWZFPLLOPI-LLVKDONJSA-N 1 0 254.127 2.420 40 0 CEABRO COC[C@H]1COCCC12CC[NH+](Cc1ccncc1)CC2 ZINC000096106263 277267897 /nfs/dbraw/zinc/26/78/97/277267897.db2.gz GGRVZRCDXBICJA-INIZCTEOSA-N 1 0 290.407 2.347 40 0 CEABRO CC(C)N(C(=O)OC(C)(C)C)[C@H]1CCCN(CC[NH3+])C1 ZINC000079408532 279299714 /nfs/dbraw/zinc/29/97/14/279299714.db2.gz QVTYZWUMEQLEJZ-ZDUSSCGKSA-N 1 0 285.432 2.055 40 0 CEABRO Cc1ccc2c(n1)N(C)[C@H](CO)CC[N@@H+](CCC(C)C)C2 ZINC000225494251 281136796 /nfs/dbraw/zinc/13/67/96/281136796.db2.gz IVSTWUYTMHHKBS-INIZCTEOSA-N 1 0 291.439 2.439 40 0 biogenic,in-vitro CEABRO COc1ccc(CCN2CC[NH2+][C@H]3CCC[C@@H]32)cc1OC ZINC000225715526 333182224 /nfs/dbraw/zinc/18/22/24/333182224.db2.gz QVUJQUSFWWPCAB-GJZGRUSLSA-N 1 0 290.407 2.073 40 0 CEABRO COC(=O)[C@@H](C[NH3+])c1c[nH]c2ccc(Cl)cc21 ZINC000027852055 333207706 /nfs/dbraw/zinc/20/77/06/333207706.db2.gz HWVJWLYZXNIOBW-VIFPVBQESA-N 1 0 252.701 2.037 40 0 CEABRO C[NH+](C)C[C@@H]1CCCN(C(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C1 ZINC000248120982 334295076 /nfs/dbraw/zinc/29/50/76/334295076.db2.gz NDAXSSUKZUTGIL-BYNSBNAKSA-N 1 0 264.413 2.223 40 0 CEABRO C[NH+](C)C[C@H]1CCCN(C(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C1 ZINC000248120983 334295176 /nfs/dbraw/zinc/29/51/76/334295176.db2.gz NDAXSSUKZUTGIL-KBXIAJHMSA-N 1 0 264.413 2.223 40 0 CEABRO CC(C)c1nc(Cl)cc(NCCC2CC[NH2+]CC2)n1 ZINC000329054767 528286707 /nfs/dbraw/zinc/28/67/07/528286707.db2.gz VLGGTNPHWCSIKS-UHFFFAOYSA-N 1 0 282.819 2.477 40 0 CEABRO CCOc1ccc(-c2nnc([C@@H](C)[NH3+])[nH]2)cc1OCC ZINC000095534688 185007515 /nfs/dbraw/zinc/00/75/15/185007515.db2.gz VJMHQRDOAUQTBF-SECBINFHSA-N 1 0 276.340 2.289 40 0 CEABRO C(O[C@@H]1CC[C@H]2[C@H]1OCC[N@@H+]2C1CCC1)C1CCOCC1 ZINC000096041662 185069925 /nfs/dbraw/zinc/06/99/25/185069925.db2.gz PDFVFOVPZHPBLO-GVDBMIGSSA-N 1 0 295.423 2.214 40 0 CEABRO c1cncc(C[N@@H+]2CC[C@H]3C[C@H](c4ccncn4)O[C@@H]3C2)c1 ZINC000096046121 185071412 /nfs/dbraw/zinc/07/14/12/185071412.db2.gz GNMKHTUKZWUTOC-USXIJHARSA-N 1 0 296.374 2.224 40 0 CEABRO O=C1N(CC2CC2)CCC12CC[NH+](Cc1ccccn1)CC2 ZINC000096046877 185072702 /nfs/dbraw/zinc/07/27/02/185072702.db2.gz HBJKRMRCDWBPPY-UHFFFAOYSA-N 1 0 299.418 2.306 40 0 CEABRO O=C(c1ccccc1F)N1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC000033426381 361779370 /nfs/dbraw/zinc/77/93/70/361779370.db2.gz VLYAMKFDKOYABB-MRXNPFEDSA-N 1 0 276.355 2.432 40 0 CEABRO CO[C@H]1COC2(C1)CC[NH+](Cc1ccc(C)o1)CC2 ZINC000096048135 185073434 /nfs/dbraw/zinc/07/34/34/185073434.db2.gz UFHRWLJLTIMFDN-CQSZACIVSA-N 1 0 265.353 2.358 40 0 CEABRO O=C1[C@H]2C[N@H+](Cc3ccncc3)C[C@H]2CN1c1ccsc1 ZINC000096053689 185074038 /nfs/dbraw/zinc/07/40/38/185074038.db2.gz WANGWNSHGBCIGH-ZFWWWQNUSA-N 1 0 299.399 2.238 40 0 CEABRO O=C1[C@H]2C[N@H+](Cc3ccco3)C[C@@H]2CN1c1ccccc1 ZINC000096053571 185074271 /nfs/dbraw/zinc/07/42/71/185074271.db2.gz BGDQONXEAPMOTO-CJNGLKHVSA-N 1 0 282.343 2.374 40 0 CEABRO Fc1cc(CN2C[C@H]3CC[NH2+][C@H]3C2)ccc1Cl ZINC000096054075 185075499 /nfs/dbraw/zinc/07/54/99/185075499.db2.gz SQHWCZWLQJVRAN-MFKMUULPSA-N 1 0 254.736 2.273 40 0 CEABRO COC[C@]12CCCO[C@@H]1CC[N@H+](Cc1cccnc1)C2 ZINC000096056724 185077048 /nfs/dbraw/zinc/07/70/48/185077048.db2.gz MUKJZWFPHMTUTQ-HZPDHXFCSA-N 1 0 276.380 2.099 40 0 CEABRO C[N@@H+]1CCC[C@@]12CCCN(C(=O)Cc1cccs1)C2 ZINC000096071402 185086599 /nfs/dbraw/zinc/08/65/99/185086599.db2.gz ISPAALWOZRBGHF-HNNXBMFYSA-N 1 0 278.421 2.377 40 0 CEABRO CCOC[C@@H]1CC2(CO1)CC[NH+](Cc1ccncc1)CC2 ZINC000096105872 185098626 /nfs/dbraw/zinc/09/86/26/185098626.db2.gz OXVWVQXLNDYFGT-INIZCTEOSA-N 1 0 290.407 2.489 40 0 CEABRO CCOc1cccc(NC(=O)[C@@H]2CCC[N@H+](C)C2)c1 ZINC000096629201 185107640 /nfs/dbraw/zinc/10/76/40/185107640.db2.gz PQIJWKREXJLICT-GFCCVEGCSA-N 1 0 262.353 2.366 40 0 CEABRO C[C@@H](CCN1C[C@@H]2C[C@@H](O)C[N@@H+]2C[C@H]1C)c1ccccc1 ZINC000019575208 343374825 /nfs/dbraw/zinc/37/48/25/343374825.db2.gz OQWLLWPCXDAZNO-CIRFHOKZSA-N 1 0 288.435 2.320 40 0 CEABRO C[C@@H](C[NH2+]Cc1cccnc1)C(=O)OC(C)(C)C ZINC000047219080 362201770 /nfs/dbraw/zinc/20/17/70/362201770.db2.gz MFSFSOLZYIOTCD-NSHDSACASA-N 1 0 250.342 2.149 40 0 CEABRO C[C@@H]1C[C@]1(C[NH3+])[C@H](O)c1cccc(Br)c1 ZINC000096527176 344240359 /nfs/dbraw/zinc/24/03/59/344240359.db2.gz NZNKECSTXOMISB-GGZOMVNGSA-N 1 0 270.170 2.467 40 0 CEABRO c1cc([C@H](C2CCOCC2)N2CC[NH2+]CC2)cs1 ZINC000409442351 344889384 /nfs/dbraw/zinc/88/93/84/344889384.db2.gz UXWQCIPQHFHZPY-AWEZNQCLSA-N 1 0 266.410 2.121 40 0 CEABRO CC(C)(C)OC(=O)N(C[C@@H]1CCCO1)[C@H]1CCC[C@H]1[NH3+] ZINC000409438918 344889817 /nfs/dbraw/zinc/88/98/17/344889817.db2.gz DZRHNLUFYDTBDN-XQQFMLRXSA-N 1 0 284.400 2.282 40 0 CEABRO CCCOc1ccc(C(=O)OCC[N@H+](C)CC)cc1N ZINC000584578837 344959327 /nfs/dbraw/zinc/95/93/27/344959327.db2.gz DBPXXZJFLFQDTO-UHFFFAOYSA-N 1 0 280.368 2.166 40 0 CEABRO c1ccc(O[C@H]2CCOC3(C[NH+](CC4CCC4)C3)C2)nc1 ZINC000585105544 345005705 /nfs/dbraw/zinc/00/57/05/345005705.db2.gz ZGKOSIICHVBSLS-HNNXBMFYSA-N 1 0 288.391 2.494 40 0 CEABRO Cc1cccc2cc(C[NH2+][C@H](CO)C(C)C)c(=O)[nH]c12 ZINC000585293462 345010542 /nfs/dbraw/zinc/01/05/42/345010542.db2.gz XLXRAXFQIQFGDR-CQSZACIVSA-N 1 0 274.364 2.355 40 0 CEABRO C[C@@H]([NH3+])c1nnc2ccc(-c3ccc(Cl)cc3)nn21 ZINC000058021813 362606616 /nfs/dbraw/zinc/60/66/16/362606616.db2.gz JPFUISDYTKUBMR-MRVPVSSYSA-N 1 0 273.727 2.464 40 0 CEABRO C[NH+]1CCC(C(=O)NC23CC4CC(CC(C4)C2)C3)CC1 ZINC000174535368 282685360 /nfs/dbraw/zinc/68/53/60/282685360.db2.gz RHWRSMIQJLILOK-UHFFFAOYSA-N 1 0 276.424 2.413 40 0 CEABRO c1cc(CN2CC[N@@H+]3C[C@@H](OCC4CC4)C[C@@H]3C2)cs1 ZINC000107746640 186189219 /nfs/dbraw/zinc/18/92/19/186189219.db2.gz YPRUUDNUVOBELJ-CVEARBPZSA-N 1 0 292.448 2.433 40 0 CEABRO CNC(=O)[C@H]1CCC[C@@]12CC[N@H+](Cc1cccs1)C2 ZINC000108534972 186222333 /nfs/dbraw/zinc/22/23/33/186222333.db2.gz GHRGYHOTMDJJIQ-HIFRSBDPSA-N 1 0 278.421 2.486 40 0 CEABRO CC(C)(C)OC(=O)N[C@@H]1CC[NH2+]C[C@H]1C(F)(F)F ZINC000077034344 363546621 /nfs/dbraw/zinc/54/66/21/363546621.db2.gz PIARTJWWYHJFTF-HTQZYQBOSA-N 1 0 268.279 2.052 40 0 CEABRO CC(C)[N@@H+](Cc1ccccc1)C[C@H]1CCCN1CCO ZINC000079414268 363597541 /nfs/dbraw/zinc/59/75/41/363597541.db2.gz RJKYNHGNVDGRTA-QGZVFWFLSA-N 1 0 276.424 2.354 40 0 CEABRO COc1cccc(CN(C(=O)[C@@H]([NH3+])C(C)C)C2CC2)c1 ZINC000079421057 363598576 /nfs/dbraw/zinc/59/85/76/363598576.db2.gz UTMJVCXUOZZBOI-HNNXBMFYSA-N 1 0 276.380 2.170 40 0 CEABRO CC(C)[C@H]([NH3+])C(=O)N([C@@H](C)c1nccs1)C1CC1 ZINC000079436415 363600076 /nfs/dbraw/zinc/60/00/76/363600076.db2.gz ZGVLJUGSQIELHW-ONGXEEELSA-N 1 0 267.398 2.178 40 0 CEABRO CC(C)[NH2+]C[C@H](O)COc1ccc2ncsc2c1 ZINC000001569292 361208703 /nfs/dbraw/zinc/20/87/03/361208703.db2.gz XRGOPNMDPQXPIW-JTQLQIEISA-N 1 0 266.366 2.034 40 0 CEABRO C(CN1CCOCC1)C[NH+]1CCC2(CCCC2)CC1 ZINC000001621347 361212341 /nfs/dbraw/zinc/21/23/41/361212341.db2.gz TXHAUPDLZCSJCY-UHFFFAOYSA-N 1 0 266.429 2.365 40 0 CEABRO CC[NH+](CC)CCOCC(=O)Nc1ccccc1C ZINC000001684142 361217292 /nfs/dbraw/zinc/21/72/92/361217292.db2.gz LCKZOHFJJXFDPJ-UHFFFAOYSA-N 1 0 264.369 2.292 40 0 CEABRO C[C@@H](C[NH2+]C1CCCC1)OC(=O)c1ccc(N)cc1 ZINC000001716625 361219555 /nfs/dbraw/zinc/21/95/55/361219555.db2.gz NBPLSBSQFQHXKU-NSHDSACASA-N 1 0 262.353 2.346 40 0 CEABRO CCC[C@H](C)[NH2+]CCOC(=O)c1ccc(N)cc1 ZINC000001995960 361225248 /nfs/dbraw/zinc/22/52/48/361225248.db2.gz BUKFDGRRAJZQKX-NSHDSACASA-N 1 0 250.342 2.204 40 0 CEABRO CC(=O)Nc1ccc(OCCC[n+]2ccccc2)cc1 ZINC000003040225 361261341 /nfs/dbraw/zinc/26/13/41/361261341.db2.gz AAQACNFWCXKYMY-UHFFFAOYSA-O 1 0 271.340 2.402 40 0 CEABRO COc1ccccc1C(=O)NCCC[NH+]1CCCCC1 ZINC000010277128 361349916 /nfs/dbraw/zinc/34/99/16/361349916.db2.gz DCNQLQBZWRBVNV-UHFFFAOYSA-N 1 0 276.380 2.301 40 0 CEABRO COc1cccc(NC(=O)[C@@H]([NH3+])Cc2ccccc2)c1 ZINC000011961947 361370606 /nfs/dbraw/zinc/37/06/06/361370606.db2.gz KSLNPUWZFRPARQ-HNNXBMFYSA-N 1 0 270.332 2.204 40 0 CEABRO C[NH+](C)CC(=O)N[C@@H](Cc1ccsc1)c1nccs1 ZINC000012226854 361376480 /nfs/dbraw/zinc/37/64/80/361376480.db2.gz XBKCKJGPAIVKLR-NSHDSACASA-N 1 0 295.433 2.166 40 0 CEABRO COc1ccc2[nH]c(C[NH+]3CCC(O)CC3)c(C)c2c1 ZINC000019565486 361542946 /nfs/dbraw/zinc/54/29/46/361542946.db2.gz HHBPNBORQVQWRJ-UHFFFAOYSA-N 1 0 274.364 2.442 40 0 CEABRO CO[C@H]1COC2(C1)CC[NH+](Cc1c(C)noc1C)CC2 ZINC000096158768 364403504 /nfs/dbraw/zinc/40/35/04/364403504.db2.gz DEFDZINJINBHQY-CYBMUJFWSA-N 1 0 280.368 2.061 40 0 CEABRO CCOC[C@@H]1Cn2cncc2C[N@H+](CC2CCC2)C1 ZINC000096207643 364410439 /nfs/dbraw/zinc/41/04/39/364410439.db2.gz KVWINNQXAXBOER-AWEZNQCLSA-N 1 0 263.385 2.152 40 0 CEABRO C[NH+]1CCC2(CCOC[C@H]2COc2cccnc2)CC1 ZINC000096207763 364410969 /nfs/dbraw/zinc/41/09/69/364410969.db2.gz RRWZSVPXICRWHZ-AWEZNQCLSA-N 1 0 276.380 2.209 40 0 CEABRO Cc1ccc2c(c1)C1(C[C@@H]2NC(=O)N(C)C)CC[NH2+]CC1 ZINC000096241757 364415764 /nfs/dbraw/zinc/41/57/64/364415764.db2.gz NUDMQCZLDARQGX-HNNXBMFYSA-N 1 0 287.407 2.332 40 0 CEABRO CCc1ncnc2c1CC[N@H+](Cc1c(C)noc1C)CC2 ZINC000096255017 364418360 /nfs/dbraw/zinc/41/83/60/364418360.db2.gz OEQPPUZTGDSEHN-UHFFFAOYSA-N 1 0 286.379 2.245 40 0 CEABRO [NH3+]C1CCN(c2cc(-c3ccc(F)cc3)ncn2)CC1 ZINC000096516853 364425464 /nfs/dbraw/zinc/42/54/64/364425464.db2.gz SZAUYLSFNBGLFR-UHFFFAOYSA-N 1 0 272.327 2.210 40 0 CEABRO [NH3+]CCCS(=O)(=O)c1ccc(Cl)cc1Cl ZINC000199557016 189683316 /nfs/dbraw/zinc/68/33/16/189683316.db2.gz DXAHWRWISFQNRI-UHFFFAOYSA-N 1 0 268.165 2.116 40 0 CEABRO O=C(C1CC(F)C1)N1CC[C@@]2(CCC[N@@H+]2CC2CC2)C1 ZINC000585099445 367177126 /nfs/dbraw/zinc/17/71/26/367177126.db2.gz JQWITSVSWLRZDA-XUJLQICISA-N 1 0 280.387 2.211 40 0 CEABRO CCOc1cccc(CNC(=O)C2CC[NH+](C)CC2)c1 ZINC000174652943 368053855 /nfs/dbraw/zinc/05/38/55/368053855.db2.gz MOFMRTJBKGFRJD-UHFFFAOYSA-N 1 0 276.380 2.043 40 0 CEABRO CCOc1cc(Br)c(C[NH3+])cc1OC ZINC000228949609 370416438 /nfs/dbraw/zinc/41/64/38/370416438.db2.gz FHXJTOKWXFLQOQ-UHFFFAOYSA-N 1 0 260.131 2.315 40 0 CEABRO c1cc2n(c1)C[C@@H](Oc1ncccn1)C[N@@H+](C1CCC1)C2 ZINC000253588371 371529871 /nfs/dbraw/zinc/52/98/71/371529871.db2.gz ABYAVUPSOTWCIM-OAHLLOKOSA-N 1 0 284.363 2.094 40 0 CEABRO Cc1nccc(N2CCO[C@H](Cc3ccccc3)C2)n1 ZINC000257205685 371610828 /nfs/dbraw/zinc/61/08/28/371610828.db2.gz BADCXEQCYXJWIF-OAHLLOKOSA-N 1 0 269.348 2.233 40 0 CEABRO Cc1nc[nH]c1C[N@@H+](C)[C@@H]1CCCN(c2ccccn2)C1 ZINC000257340001 371612456 /nfs/dbraw/zinc/61/24/56/371612456.db2.gz ZECFXKAJGDEBSU-CQSZACIVSA-N 1 0 285.395 2.214 40 0 CEABRO O=C(c1ccc(C(F)(F)F)cc1)N1CCC[NH2+]CC1 ZINC000019433360 296205620 /nfs/dbraw/zinc/20/56/20/296205620.db2.gz BPTADPKATNWIEA-UHFFFAOYSA-N 1 0 272.270 2.141 40 0 CEABRO CCn1ncc(C[NH2+]CCc2cccc(OC)c2)c1F ZINC000256052096 190004346 /nfs/dbraw/zinc/00/43/46/190004346.db2.gz LXHFCWHYSHEHLW-UHFFFAOYSA-N 1 0 277.343 2.383 40 0 CEABRO CN1CCC([N@@H+]2CCC[C@@H](c3ccc4c[nH]nc4n3)C2)CC1 ZINC000257210089 190012132 /nfs/dbraw/zinc/01/21/32/190012132.db2.gz BTCNHNCGMFUNGB-CQSZACIVSA-N 1 0 299.422 2.232 40 0 CEABRO Cc1cncc(C[N@@H+]2C[C@@H](O)[C@H](Oc3ccccc3)C2)c1 ZINC000257212847 190013024 /nfs/dbraw/zinc/01/30/24/190013024.db2.gz CFFBYZCGAGOFBS-IAGOWNOFSA-N 1 0 284.359 2.014 40 0 CEABRO CCn1cc(C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)c(C)n1 ZINC000257213472 190013499 /nfs/dbraw/zinc/01/34/99/190013499.db2.gz CHSKOOHPETVVGI-ZDUSSCGKSA-N 1 0 273.384 2.314 40 0 CEABRO c1ccc(C[C@@H]2COCC[N@@H+](C3CCOCC3)C2)cc1 ZINC000257226729 190015611 /nfs/dbraw/zinc/01/56/11/190015611.db2.gz FLWHIFQLCQVPRJ-INIZCTEOSA-N 1 0 275.392 2.357 40 0 CEABRO CNc1nccnc1C[C@H]1CCC[N@H+](Cc2cccn2C)C1 ZINC000257233161 190016806 /nfs/dbraw/zinc/01/68/06/190016806.db2.gz GOBNKKCHBHQBCW-CQSZACIVSA-N 1 0 299.422 2.312 40 0 CEABRO CCn1nccc1-c1cc(C)nc([C@H]2CCC[N@H+](C)C2)n1 ZINC000257235787 190016935 /nfs/dbraw/zinc/01/69/35/190016935.db2.gz GZLNZXIDNNTHNX-ZDUSSCGKSA-N 1 0 285.395 2.478 40 0 CEABRO CN1CCC([N@@H+]2CC[C@H](c3ncn4ccsc34)C2)CC1 ZINC000257271880 190023980 /nfs/dbraw/zinc/02/39/80/190023980.db2.gz NADWQYCGYOKNIZ-LBPRGKRZSA-N 1 0 290.436 2.279 40 0 CEABRO Cc1nc[nH]c1C[N@@H+]1CCC[C@@H](c2ccnc(C)n2)C1 ZINC000257288205 190027380 /nfs/dbraw/zinc/02/73/80/190027380.db2.gz PTIDKTKHYIFMEA-CYBMUJFWSA-N 1 0 271.368 2.196 40 0 CEABRO Cc1nn(C)c(C)c1-c1cncc(CC2CC[NH2+]CC2)n1 ZINC000257308175 190031514 /nfs/dbraw/zinc/03/15/14/190031514.db2.gz TVSKNFOICFUUHN-UHFFFAOYSA-N 1 0 285.395 2.036 40 0 CEABRO CCN1CCC([N@@H+]2CC[C@H](c3nc(C)cn3C)C2)CC1 ZINC000257300402 190029979 /nfs/dbraw/zinc/02/99/79/190029979.db2.gz RUDJNQLNRVCTMV-AWEZNQCLSA-N 1 0 276.428 2.002 40 0 CEABRO CC(C)n1nccc1-c1cncc(CC2CC[NH2+]CC2)n1 ZINC000257312385 190032311 /nfs/dbraw/zinc/03/23/11/190032311.db2.gz UNSFOTIGKCXMIK-UHFFFAOYSA-N 1 0 285.395 2.463 40 0 CEABRO O[C@H]1CC[N@H+](Cc2ccc3ncccc3c2)C[C@@]12CCCO2 ZINC000257334775 190036123 /nfs/dbraw/zinc/03/61/23/190036123.db2.gz YHIQMPRHJALORW-ROUUACIJSA-N 1 0 298.386 2.351 40 0 CEABRO C[C@]12CCCN(C(=O)c3cncs3)[C@H]1CCCC[NH2+]2 ZINC000257338616 190037186 /nfs/dbraw/zinc/03/71/86/190037186.db2.gz YYEINCNWNSJYEH-JSGCOSHPSA-N 1 0 279.409 2.280 40 0 CEABRO CCCCC(=O)N1CC2(C1)C[C@H](COCC)CC[N@@H+]2C ZINC000306126097 376541434 /nfs/dbraw/zinc/54/14/34/376541434.db2.gz DMQGHXGKDVSOOM-CQSZACIVSA-N 1 0 282.428 2.136 40 0 CEABRO OCc1ccc2[n+](c1)CC[C@@H]1c3ccccc3N[C@H]21 ZINC000001630879 285299842 /nfs/dbraw/zinc/29/98/42/285299842.db2.gz UKJZAAHCIOGYKL-CJNGLKHVSA-N 1 0 253.325 2.121 40 0 CEABRO COc1cccc(OC[C@@H](O)C[NH+]2CCCCCC2)c1 ZINC000001469892 169708512 /nfs/dbraw/zinc/70/85/12/169708512.db2.gz DUFGEQYTHMPNKQ-AWEZNQCLSA-N 1 0 279.380 2.311 40 0 CEABRO COc1ccc(CC[NH2+][C@H]2CCCC[C@H]2[NH3+])cc1OC ZINC000218854476 394457649 /nfs/dbraw/zinc/45/76/49/394457649.db2.gz VYLYNSDJXFXCBX-KGLIPLIRSA-N 1 0 278.396 2.106 40 0 CEABRO Cc1cc(F)ccc1C[N@H+]1CC[C@@H]2OCCN(C)[C@H]2C1 ZINC000108528081 394732111 /nfs/dbraw/zinc/73/21/11/394732111.db2.gz KTPWPEQSYMHQNB-HOTGVXAUSA-N 1 0 278.371 2.039 40 0 CEABRO CC[C@@H]([C@@H]([NH3+])c1ccccc1C)S(=O)(=O)CC ZINC000096524969 394697228 /nfs/dbraw/zinc/69/72/28/394697228.db2.gz JHGWRWDTBYPKKB-STQMWFEESA-N 1 0 255.383 2.208 40 0 CEABRO CC(C)(C)OC(=O)N1C[C@H](C[NH3+])[C@@](C)(C(F)(F)F)C1 ZINC000199784256 400297601 /nfs/dbraw/zinc/29/76/01/400297601.db2.gz DRBPWTVZJTZWFG-KWQFWETISA-N 1 0 282.306 2.381 40 0 CEABRO [NH3+][C@H]1CC[C@H](NC(=O)c2cccc(Cl)c2)CC1 ZINC000255188683 400316667 /nfs/dbraw/zinc/31/66/67/400316667.db2.gz KUSVIPMKCAQOPF-HAQNSBGRSA-N 1 0 252.745 2.340 40 0 CEABRO CC[C@@H](C)c1ccccc1OC[C@@H](O)C[NH2+]C(C)(C)CO ZINC000002694555 169820743 /nfs/dbraw/zinc/82/07/43/169820743.db2.gz AGPAYWCUBYITJP-KGLIPLIRSA-N 1 0 295.423 2.300 40 0 CEABRO CC1=[NH+][C@H](C)CNc2c3ccccc3n(C)c(=O)c21 ZINC000006266195 170186891 /nfs/dbraw/zinc/18/68/91/170186891.db2.gz LCBFUZVHQZZMSK-SECBINFHSA-N 1 0 255.321 2.162 40 0 CEABRO CCc1ccc(NC(=S)NCC[NH+](C)C)cc1 ZINC000007526542 170289159 /nfs/dbraw/zinc/28/91/59/170289159.db2.gz HDBMWHVJZZWDDX-UHFFFAOYSA-N 1 0 251.399 2.097 40 0 CEABRO COc1ccc(C)cc1NC(=O)C[NH2+]Cc1cccnc1 ZINC000035311406 172122061 /nfs/dbraw/zinc/12/20/61/172122061.db2.gz WRRIZMJCPQKCAQ-UHFFFAOYSA-N 1 0 285.347 2.127 40 0 CEABRO Cc1ccc([C@H](C[NH3+])N2C[C@@H](C)O[C@@H](C)C2)cc1C ZINC000037179891 173012851 /nfs/dbraw/zinc/01/28/51/173012851.db2.gz CMKDMFWNQQCGKG-LZWOXQAQSA-N 1 0 262.397 2.412 40 0 CEABRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1[nH]nnc1-c1ccccc1 ZINC000072324563 176369751 /nfs/dbraw/zinc/36/97/51/176369751.db2.gz WUUMZCWPQSDLDY-DZGCQCFKSA-N 1 0 297.406 2.140 40 0 CEABRO c1cc(C[C@@H]2CCC[NH2+]C2)nc(NCCc2cnccn2)c1 ZINC000072365347 176380814 /nfs/dbraw/zinc/38/08/14/176380814.db2.gz WGEMGRIXZPHMDH-AWEZNQCLSA-N 1 0 297.406 2.068 40 0 CEABRO Cn1ccnc1C[N@@H+]1CC[C@H](Cc2cnc3[nH]ccc3c2)C1 ZINC000072367628 176382559 /nfs/dbraw/zinc/38/25/59/176382559.db2.gz YRVZWOROUXBZLH-CYBMUJFWSA-N 1 0 295.390 2.361 40 0 CEABRO Fc1ccccc1OCCc1cc([C@@H]2CC[NH2+]C2)[nH]n1 ZINC000072374089 176385251 /nfs/dbraw/zinc/38/52/51/176385251.db2.gz HJLRSTNAMRKZQT-LLVKDONJSA-N 1 0 275.327 2.247 40 0 CEABRO Cc1nc(Nc2ccccn2)cc([C@H]2CCC[NH2+]2)n1 ZINC000072382154 176388012 /nfs/dbraw/zinc/38/80/12/176388012.db2.gz JIGVWOJAJBSDPA-LLVKDONJSA-N 1 0 255.325 2.348 40 0 CEABRO CO[C@H]1CCN(Cc2ccoc2)[C@@H]2C[N@H+](CC3CC3)C[C@@H]21 ZINC000096109431 274080792 /nfs/dbraw/zinc/08/07/92/274080792.db2.gz GBDQZUMWGULCLB-BBWFWOEESA-N 1 0 290.407 2.211 40 0 CEABRO C[C@@H]1Cc2ccccc2N1C(=O)[C@H]1CCC[N@H+](C)C1 ZINC000082337169 279019110 /nfs/dbraw/zinc/01/91/10/279019110.db2.gz KQPIBFWLXXQLNF-OCCSQVGLSA-N 1 0 258.365 2.306 40 0 CEABRO COc1ccccc1CN(C(=O)[C@@H]([NH3+])C(C)C)C(C)C ZINC000079421037 295359715 /nfs/dbraw/zinc/35/97/15/295359715.db2.gz YRHJSKLGGXQDJM-HNNXBMFYSA-N 1 0 278.396 2.416 40 0 CEABRO O=C(C1CCCCC1)N1CCCC12CC[NH2+]CC2 ZINC000096049289 295445003 /nfs/dbraw/zinc/44/50/03/295445003.db2.gz LODQKSBLDGOWAZ-UHFFFAOYSA-N 1 0 250.386 2.311 40 0 CEABRO [NH3+]CC1([C@H](O)c2ccccc2Cl)CCOCC1 ZINC000085395769 303370585 /nfs/dbraw/zinc/37/05/85/303370585.db2.gz JLMAFCOMQATYML-GFCCVEGCSA-N 1 0 255.745 2.129 40 0 CEABRO O=C1CC[C@]2(c3ccccc3)[NH2+][C@@H]3CCCC[C@H]3N12 ZINC000250819458 334351335 /nfs/dbraw/zinc/35/13/35/334351335.db2.gz QSDUYCSKFAKVPE-FMKPAKJESA-N 1 0 256.349 2.376 40 0 CEABRO Nc1ccc(-c2n[nH]c(CC[NH+]3CCCCCC3)n2)cc1 ZINC000062719511 527465012 /nfs/dbraw/zinc/46/50/12/527465012.db2.gz QZHYGOZHNYQLTP-UHFFFAOYSA-N 1 0 285.395 2.472 40 0 CEABRO CC1(C)NC(=[NH2+])NC(=N)N1c1ccc2ccccc2c1 ZINC000001626908 538737714 /nfs/dbraw/zinc/73/77/14/538737714.db2.gz HVUMULOFKBCXQE-UHFFFAOYSA-N 1 0 267.336 2.025 40 0 CEABRO C[NH+](C)Cc1c[nH]c2ncc(Br)cc12 ZINC000095830807 185029752 /nfs/dbraw/zinc/02/97/52/185029752.db2.gz HIPZAOGAROQWFZ-UHFFFAOYSA-N 1 0 254.131 2.387 40 0 CEABRO CC[N@@H+]1CCOC[C@@]2(CCCN(Cc3ccncc3)C2)C1 ZINC000096049602 185072954 /nfs/dbraw/zinc/07/29/54/185072954.db2.gz ROSWHBLOMLYGJU-KRWDZBQOSA-N 1 0 289.423 2.016 40 0 CEABRO C[N@@H+]1CCCCC12CCN(C(=O)c1ccoc1)CC2 ZINC000096051203 185074955 /nfs/dbraw/zinc/07/49/55/185074955.db2.gz JNHXRKBJUVNBOH-UHFFFAOYSA-N 1 0 262.353 2.370 40 0 CEABRO CCOC[C@@]12CCCO[C@H]1CC[N@H+](Cc1ccccn1)C2 ZINC000096056805 185077443 /nfs/dbraw/zinc/07/74/43/185077443.db2.gz BSKDQECSJKCUNS-IRXDYDNUSA-N 1 0 290.407 2.489 40 0 CEABRO Cc1nc(CO[C@@H]2C[N@H+](CC3CC3)[C@@H]3COC[C@H]23)cs1 ZINC000096055886 185077305 /nfs/dbraw/zinc/07/73/05/185077305.db2.gz YSBSZZSYXVCXEG-RRFJBIMHSA-N 1 0 294.420 2.077 40 0 CEABRO CC[NH+](CC)[C@@H]1CN(Cc2nccs2)[C@@H]2CCCO[C@H]12 ZINC000096056322 185077614 /nfs/dbraw/zinc/07/76/14/185077614.db2.gz ATRNIHVQBTWSIL-NFAWXSAZSA-N 1 0 295.452 2.217 40 0 CEABRO COC[C@H]1C[N@H+](CC2CC2)Cc2ncn(CC3CC3)c21 ZINC000096060291 185081920 /nfs/dbraw/zinc/08/19/20/185081920.db2.gz DJIZTOGMZVXEDV-CQSZACIVSA-N 1 0 275.396 2.249 40 0 CEABRO CCOc1ccccc1[C@H](C[NH3+])N1C[C@@H](C)O[C@H](C)C1 ZINC000036100785 361828276 /nfs/dbraw/zinc/82/82/76/361828276.db2.gz KUHBBCHKJVKJPO-NFAWXSAZSA-N 1 0 278.396 2.194 40 0 CEABRO C[N@@H+]1CCC[C@@H](Cc2cnc(Br)cn2)C1 ZINC000205706516 539185168 /nfs/dbraw/zinc/18/51/68/539185168.db2.gz XGTIAASFPAIINX-VIFPVBQESA-N 1 0 270.174 2.123 40 0 CEABRO C[NH+](C)CCCNC(=S)NCCCc1ccccc1 ZINC000058954151 343650708 /nfs/dbraw/zinc/65/07/08/343650708.db2.gz ABLIHRCXZUEMDJ-UHFFFAOYSA-N 1 0 279.453 2.035 40 0 CEABRO C[C@@H]1CC[C@@H](C[NH3+])CN1C(=O)OCc1ccccc1 ZINC000097759064 344245701 /nfs/dbraw/zinc/24/57/01/344245701.db2.gz LJXHWYWQZCPOBL-OCCSQVGLSA-N 1 0 262.353 2.382 40 0 CEABRO CN(Cc1ccccc1)[C@@H]1CCCC[C@H]1[NH2+]CCO ZINC000101674217 344249180 /nfs/dbraw/zinc/24/91/80/344249180.db2.gz MPLCGBFEAWUJPF-HZPDHXFCSA-N 1 0 262.397 2.012 40 0 CEABRO FC(F)(F)c1cccnc1OC[C@@H]1CCC[NH2+]C1 ZINC000051883037 362442349 /nfs/dbraw/zinc/44/23/49/362442349.db2.gz IXMGNFCWUHNQTP-SECBINFHSA-N 1 0 260.259 2.479 40 0 CEABRO CC[C@H](CO)[NH2+]C[C@H](O)COc1ccccc1[C@@H](C)CC ZINC000248191884 344621910 /nfs/dbraw/zinc/62/19/10/344621910.db2.gz LSOWXZOSDLPNHO-ZNMIVQPWSA-N 1 0 295.423 2.300 40 0 CEABRO Fc1ccc([C@@H](c2noc(C3C[NH2+]C3)n2)n2cccc2)cc1 ZINC000409437659 344889853 /nfs/dbraw/zinc/88/98/53/344889853.db2.gz ARJJHHKEPSFMDD-AWEZNQCLSA-N 1 0 298.321 2.335 40 0 CEABRO CCOC(=O)CC[NH+]1CCN(c2ccccc2C)CC1 ZINC000053944105 362502853 /nfs/dbraw/zinc/50/28/53/362502853.db2.gz IKQNJFXAPHKFII-UHFFFAOYSA-N 1 0 276.380 2.070 40 0 CEABRO Cc1ncc(-c2cncc(C[C@@H]3CCC[N@H+](C)C3)n2)n1C ZINC000585260987 345009015 /nfs/dbraw/zinc/00/90/15/345009015.db2.gz HODHFHIALJDNHL-ZDUSSCGKSA-N 1 0 285.395 2.070 40 0 CEABRO CC(=O)N1CCCC[C@@H]2[C@H]1CCC[N@@H+]2CC1(O)CCCC1 ZINC000585282835 345010206 /nfs/dbraw/zinc/01/02/06/345010206.db2.gz IKKRMCKPEHXGJX-HZPDHXFCSA-N 1 0 294.439 2.157 40 0 CEABRO O=C(C[NH2+]Cc1ccc(Cl)cc1)N1CCCC1 ZINC000057711930 362593172 /nfs/dbraw/zinc/59/31/72/362593172.db2.gz VQNXEGMQJMOCHS-UHFFFAOYSA-N 1 0 252.745 2.052 40 0 CEABRO [NH3+][C@@H]1CC(=O)N(C2CCCCC2)[C@H]1c1cccnc1 ZINC000062211078 362714858 /nfs/dbraw/zinc/71/48/58/362714858.db2.gz DEVQHIRVQKIZIX-HIFRSBDPSA-N 1 0 259.353 2.015 40 0 CEABRO Cc1cc(C)nc(NCCC[NH2+]Cc2ccco2)n1 ZINC000062717871 362721244 /nfs/dbraw/zinc/72/12/44/362721244.db2.gz NVJYIFSVVPICLC-UHFFFAOYSA-N 1 0 260.341 2.278 40 0 CEABRO c1ccc([C@@H]2C[NH2+]CCN2Cc2ccncc2)cc1 ZINC000068696172 362944525 /nfs/dbraw/zinc/94/45/25/362944525.db2.gz IMKZPPXNAJTKHH-INIZCTEOSA-N 1 0 253.349 2.228 40 0 CEABRO COc1ccc([C@@H](C)[NH2+]C[C@@H](C)[S@](C)=O)c(F)c1 ZINC000090843461 180044075 /nfs/dbraw/zinc/04/40/75/180044075.db2.gz OGVSVGURSJHESE-CLFVBBPSSA-N 1 0 273.373 2.252 40 0 CEABRO Nc1cccnc1N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000091352096 180137668 /nfs/dbraw/zinc/13/76/68/180137668.db2.gz VCOCTBVOMHSTTI-AWEZNQCLSA-N 1 0 268.364 2.350 40 0 CEABRO c1coc(CN2C[C@H]3C[C@@H](C2)C[N@@H+](C[C@H]2CCOC2)C3)c1 ZINC000107261579 186164534 /nfs/dbraw/zinc/16/45/34/186164534.db2.gz CDHZTPDFSWQDBP-OAGGEKHMSA-N 1 0 290.407 2.070 40 0 CEABRO c1cn([C@H]2CO[C@]3(C2)CCC[N@@H+](Cc2cccnc2)C3)cn1 ZINC000107731406 186188778 /nfs/dbraw/zinc/18/87/78/186188778.db2.gz SVZHDVPNTPYDSM-SJORKVTESA-N 1 0 298.390 2.274 40 0 CEABRO Cc1ccc(C[N@H+]2C[C@@H]3[C@H](CC(=O)N4CCCC4)[C@@H]3C2)o1 ZINC000107745899 186188816 /nfs/dbraw/zinc/18/88/16/186188816.db2.gz UYKNHDKWAUYKKS-MUJYYYPQSA-N 1 0 288.391 2.278 40 0 CEABRO CC(C)NC(=O)C[C@H]1[C@H]2C[N@@H+](Cc3ccc(F)cc3)C[C@@H]12 ZINC000107745872 186189311 /nfs/dbraw/zinc/18/93/11/186189311.db2.gz XORUQTWUSHUEEJ-MUJYYYPQSA-N 1 0 290.382 2.418 40 0 CEABRO C1C[NH2+][C@@H](c2nc([C@H]3CCCSCC3)no2)C1 ZINC000575415044 366281227 /nfs/dbraw/zinc/28/12/27/366281227.db2.gz LXHDUNREGKZGCJ-VHSXEESVSA-N 1 0 253.371 2.495 40 0 CEABRO CCNc1nc(NCc2ccccc2F)cc(C2CC2)[nH+]1 ZINC000328958935 202131296 /nfs/dbraw/zinc/13/12/96/202131296.db2.gz AQTCYVUCLHMEMG-UHFFFAOYSA-N 1 0 286.354 2.381 40 0 CEABRO O=C1O[C@@]2(CC[NH2+]C2)CN1c1cccc(Cl)c1 ZINC000205706137 538836263 /nfs/dbraw/zinc/83/62/63/538836263.db2.gz GWWCCNWRQLMDPS-GFCCVEGCSA-N 1 0 252.701 2.029 40 0 CEABRO CCN(Cc1ccccc1)[C@H]1CCCC[C@@H]1[NH2+]CCO ZINC000079414247 363597151 /nfs/dbraw/zinc/59/71/51/363597151.db2.gz GAMVUPFKLNSLOS-IRXDYDNUSA-N 1 0 276.424 2.402 40 0 CEABRO CC[N@H+](Cc1ccccc1)C1CCC([NH2+]CC(=O)[O-])CC1 ZINC000079416124 363599152 /nfs/dbraw/zinc/59/91/52/363599152.db2.gz SYVYCADJXVQLMC-UHFFFAOYSA-N 1 0 290.407 2.494 40 0 CEABRO CC(C)N(CC[NH3+])Cc1ccnc(Br)c1 ZINC000079421620 363599487 /nfs/dbraw/zinc/59/94/87/363599487.db2.gz DQEBRPALZXHDQM-UHFFFAOYSA-N 1 0 272.190 2.013 40 0 CEABRO CC(C)[C@H]([NH3+])C(=O)N(Cc1cnc(Cl)s1)C1CC1 ZINC000079422143 363599507 /nfs/dbraw/zinc/59/95/07/363599507.db2.gz LIBVLEOTPUYJJF-JTQLQIEISA-N 1 0 287.816 2.271 40 0 CEABRO CC[S@](=O)CCC[N@@H+]1CCc2ccccc2C1 ZINC000001752012 361220847 /nfs/dbraw/zinc/22/08/47/361220847.db2.gz YKKQKMDOWYCXEX-QGZVFWFLSA-N 1 0 251.395 2.203 40 0 in-man CEABRO Cc1cccc(OC[C@H](O)C[N@H+]2CCC[C@H](C)C2)c1 ZINC000004276561 361308680 /nfs/dbraw/zinc/30/86/80/361308680.db2.gz SVKRAUOKQPVBIT-LSDHHAIUSA-N 1 0 263.381 2.467 40 0 CEABRO COc1ccc(-c2nc3ccccn3c2C[NH3+])cc1 ZINC000011570016 361359631 /nfs/dbraw/zinc/35/96/31/361359631.db2.gz ZPLHTBMVWGCOIK-UHFFFAOYSA-N 1 0 253.305 2.469 40 0 CEABRO CCn1cc(C[NH2+]Cc2ccc(C(=O)OC)cc2)c(C)n1 ZINC000012399012 361382433 /nfs/dbraw/zinc/38/24/33/361382433.db2.gz JSNHZYLVMZLBRX-UHFFFAOYSA-N 1 0 287.363 2.288 40 0 CEABRO O[C@@]12c3ccccc3[C@@H]1CCCC[C@H]2[NH+]1CCOCC1 ZINC000016958277 361499904 /nfs/dbraw/zinc/49/99/04/361499904.db2.gz XNHVAOFTRMYYNB-BBWFWOEESA-N 1 0 273.376 2.246 40 0 CEABRO O[C@H](C[NH2+]Cc1ccccc1)COC(F)(F)C(F)F ZINC000026897837 361646785 /nfs/dbraw/zinc/64/67/85/361646785.db2.gz HMVNYQOEKFJZQS-SNVBAGLBSA-N 1 0 281.249 2.012 40 0 CEABRO O[C@H](C[NH2+]Cc1ccccc1)COCC(F)(F)C(F)F ZINC000026897863 361647279 /nfs/dbraw/zinc/64/72/79/361647279.db2.gz ZSLJRXCSRDNBFJ-LLVKDONJSA-N 1 0 295.276 2.054 40 0 CEABRO CC(C)N(Cc1ccc(Br)cc1)C(=O)C[NH3+] ZINC000032130459 361731258 /nfs/dbraw/zinc/73/12/58/361731258.db2.gz MCANIACXGMWAIO-UHFFFAOYSA-N 1 0 285.185 2.145 40 0 CEABRO CN(C)C(=O)[C@H]1CC[C@@H]2[C@@H](CC[N@@H+]2CC2CCCCC2)O1 ZINC000096187235 364407342 /nfs/dbraw/zinc/40/73/42/364407342.db2.gz OPKOFOWADLEQQV-BZUAXINKSA-N 1 0 294.439 2.277 40 0 CEABRO COC(=O)[C@H]1C[C@H]2Cc3c4ccccc4[nH]c3C[N@@H+]2C1 ZINC000095828948 364393501 /nfs/dbraw/zinc/39/35/01/364393501.db2.gz OVDBJAVMIFIMFA-QWRGUYRKSA-N 1 0 270.332 2.088 40 0 CEABRO Cc1noc(C)c1C[N@@H+]1CC[C@@H](O)[C@@H]1Cc1ccccc1 ZINC000096200003 364408695 /nfs/dbraw/zinc/40/86/95/364408695.db2.gz SZSGZWUITAWOMM-DLBZAZTESA-N 1 0 286.375 2.469 40 0 CEABRO CC(=O)N1CCC[C@@]2(CC[N@H+](Cc3cccc(C)n3)C2)C1 ZINC000096216307 364413418 /nfs/dbraw/zinc/41/34/18/364413418.db2.gz NKGYHDOIQSNUGZ-KRWDZBQOSA-N 1 0 287.407 2.224 40 0 CEABRO COCC[C@@H]1COC2(C1)CC[NH+](Cc1ccccn1)CC2 ZINC000096220163 364414103 /nfs/dbraw/zinc/41/41/03/364414103.db2.gz OHTOABULIZFFKP-HNNXBMFYSA-N 1 0 290.407 2.489 40 0 CEABRO CNC(=O)C[C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000096242924 364417303 /nfs/dbraw/zinc/41/73/03/364417303.db2.gz WDRBUNRMQXHZCZ-ZDUSSCGKSA-N 1 0 288.391 2.153 40 0 CEABRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3ccccc3)C2)C1 ZINC000096268563 364420306 /nfs/dbraw/zinc/42/03/06/364420306.db2.gz BCNOKJURHQLPAE-MRXNPFEDSA-N 1 0 258.365 2.245 40 0 CEABRO O=C1CCC2(CC[NH+](Cc3ccc(F)cc3)CC2)CN1 ZINC000108529863 364716116 /nfs/dbraw/zinc/71/61/16/364716116.db2.gz HCOCYYRQYLNSAE-UHFFFAOYSA-N 1 0 276.355 2.318 40 0 CEABRO CC1(C)[C@H]2C[C@@H]1C(COC[C@@H](O)C[NH2+]C1CC1)=CC2 ZINC000195541669 189678006 /nfs/dbraw/zinc/67/80/06/189678006.db2.gz ZRWVUMQBQUVBRH-VHDGCEQUSA-N 1 0 265.397 2.108 40 0 CEABRO CCN(C(=O)OC(C)(C)C)C1CCC([NH2+]CCO)CC1 ZINC000079408034 284193248 /nfs/dbraw/zinc/19/32/48/284193248.db2.gz GWSDVDIEKVCTQD-UHFFFAOYSA-N 1 0 286.416 2.137 40 0 CEABRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@]1(N)C(F)(F)F ZINC000199548594 370148826 /nfs/dbraw/zinc/14/88/26/370148826.db2.gz NWNOBEWRLOTQFH-CMPLNLGQSA-N 1 0 258.287 2.398 40 0 CEABRO C[NH2+][C@H]1CN(C(=O)OCc2ccccc2)CC[C@H]1C ZINC000205118903 370154295 /nfs/dbraw/zinc/15/42/95/370154295.db2.gz BVEDDMAXSBXTHB-OCCSQVGLSA-N 1 0 262.353 2.253 40 0 CEABRO COc1ccc(N[C@H]2CCCC[C@@H]2[NH3+])c(OC)c1 ZINC000218860614 370214035 /nfs/dbraw/zinc/21/40/35/370214035.db2.gz YVBICIOTVFORIW-RYUDHWBXSA-N 1 0 250.342 2.386 40 0 CEABRO Fc1ccc(-c2ccc3nnc([C@@H]4CC[NH2+]C4)n3n2)cc1 ZINC000217558197 370196347 /nfs/dbraw/zinc/19/63/47/370196347.db2.gz SFSNXBYOJQTCEH-LLVKDONJSA-N 1 0 283.310 2.007 40 0 CEABRO S=C(NC1CC1)NC1CC[NH+](Cc2cccs2)CC1 ZINC000225231031 370286632 /nfs/dbraw/zinc/28/66/32/370286632.db2.gz NZEBCJACGQHLKB-UHFFFAOYSA-N 1 0 295.477 2.339 40 0 CEABRO CCNC(=S)NC1CC[NH+](Cc2cccs2)CC1 ZINC000225231087 370286995 /nfs/dbraw/zinc/28/69/95/370286995.db2.gz JVVRQZAQYHLMQH-UHFFFAOYSA-N 1 0 283.466 2.197 40 0 CEABRO Fc1cccnc1OCC[C@@H]1CCOC12CC[NH2+]CC2 ZINC000247501032 371117181 /nfs/dbraw/zinc/11/71/81/371117181.db2.gz FMYXXGKIJJFOKS-GFCCVEGCSA-N 1 0 280.343 2.148 40 0 CEABRO C[NH2+][C@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000253380266 371511983 /nfs/dbraw/zinc/51/19/83/371511983.db2.gz VNRMUCLKUFOUET-NEPJUHHUSA-N 1 0 258.287 2.269 40 0 CEABRO CN(C(=O)CC1CC1)[C@H]1CCCN(c2ccccn2)C1 ZINC000257211331 371609752 /nfs/dbraw/zinc/60/97/52/371609752.db2.gz BYMRPKMZQXCREW-AWEZNQCLSA-N 1 0 273.380 2.309 40 0 CEABRO COc1ccc(C[C@@H]2CN(c3ccnc(C)n3)CCO2)cc1 ZINC000257284791 371611010 /nfs/dbraw/zinc/61/10/10/371611010.db2.gz PEIBNFUBPNZZSG-MRXNPFEDSA-N 1 0 299.374 2.242 40 0 CEABRO Cc1nn(C)c2nc([C@@]3(C)CCC[N@H+](C)C3)ccc12 ZINC000257317915 371612918 /nfs/dbraw/zinc/61/29/18/371612918.db2.gz VLSCXPVBESGWGJ-HNNXBMFYSA-N 1 0 258.369 2.260 40 0 CEABRO Cc1nc(Nc2ccccn2)cc([C@H]2CCC[NH2+]C2)n1 ZINC000257330409 371613174 /nfs/dbraw/zinc/61/31/74/371613174.db2.gz XOFWRCUHEVDBEG-LBPRGKRZSA-N 1 0 269.352 2.391 40 0 CEABRO CNc1ncccc1C[N@@H+]1CC[C@@H](c2nccc(C)n2)C1 ZINC000257344095 371613378 /nfs/dbraw/zinc/61/33/78/371613378.db2.gz ZVTGLKDZAYFIEL-CQSZACIVSA-N 1 0 283.379 2.211 40 0 CEABRO CCn1cc(C[NH2+]Cc2cnn(CC(C)C)c2)cn1 ZINC000256054157 190004879 /nfs/dbraw/zinc/00/48/79/190004879.db2.gz VDRUFOSHQOKZEH-UHFFFAOYSA-N 1 0 261.373 2.045 40 0 CEABRO CC[C@@H](C)n1nccc1CNCC[NH+](CC)CC ZINC000256053522 190005168 /nfs/dbraw/zinc/00/51/68/190005168.db2.gz RTXGBJCCWLJPOE-CYBMUJFWSA-N 1 0 252.406 2.286 40 0 CEABRO O=C(CC1CC[NH2+]CC1)NCc1ccc2c(c1)CCCO2 ZINC000257198113 190010579 /nfs/dbraw/zinc/01/05/79/190010579.db2.gz TVETYYDRTBIJFM-UHFFFAOYSA-N 1 0 288.391 2.018 40 0 CEABRO Cc1cc(Nc2ccccn2)nc([C@@H]2CC[NH2+]C2)n1 ZINC000257225030 190015440 /nfs/dbraw/zinc/01/54/40/190015440.db2.gz FENALVWKSZXGOW-LLVKDONJSA-N 1 0 255.325 2.001 40 0 CEABRO Cc1noc(C)c1-c1cncc(CC[C@@H]2CCC[NH2+]2)n1 ZINC000257238616 190017820 /nfs/dbraw/zinc/01/78/20/190017820.db2.gz HLUWLAAMMXGDNU-LBPRGKRZSA-N 1 0 272.352 2.433 40 0 CEABRO Cc1noc(C)c1-c1cnc(CC[C@H]2CCC[NH2+]2)cn1 ZINC000257286386 190026702 /nfs/dbraw/zinc/02/67/02/190026702.db2.gz PLKDLYCQUUTXIF-GFCCVEGCSA-N 1 0 272.352 2.433 40 0 CEABRO Cc1nc(-c2cc[nH]n2)cc([C@@H]2CC[N@@H+](C(C)C)C2)n1 ZINC000257309458 190031010 /nfs/dbraw/zinc/03/10/10/190031010.db2.gz UBAMZKGEBDLEGA-GFCCVEGCSA-N 1 0 271.368 2.373 40 0 CEABRO CCC(=O)N1CCC[C@H](c2cc3c[nH+]cn3c(C)n2)C1 ZINC000257342370 190037169 /nfs/dbraw/zinc/03/71/69/190037169.db2.gz ZOHMKIDBJORMLF-LBPRGKRZSA-N 1 0 272.352 2.154 40 0 CEABRO Cc1cccnc1Nc1cncc([C@@H]2CCC[NH2+]C2)n1 ZINC000257341036 190037190 /nfs/dbraw/zinc/03/71/90/190037190.db2.gz ZIOYMNLPVZDOKO-GFCCVEGCSA-N 1 0 269.352 2.391 40 0 CEABRO Cc1cccc(CN2Cc3cncn3[C@H](CC[NH+](C)C)C2)n1 ZINC000306123187 376537506 /nfs/dbraw/zinc/53/75/06/376537506.db2.gz AGTYSVBXJZZKFR-MRXNPFEDSA-N 1 0 299.422 2.095 40 0 CEABRO C[N@@H+]1C[C@@H](CO)[C@@H](c2cccc(Br)c2)C1 ZINC000225609240 394469442 /nfs/dbraw/zinc/46/94/42/394469442.db2.gz UOALQWUFZSXGPE-CMPLNLGQSA-N 1 0 270.170 2.087 40 0 CEABRO COC(=O)[C@@H]1C[N@H+](C)C[C@H]1c1cccc(Cl)c1 ZINC000242495899 394495876 /nfs/dbraw/zinc/49/58/76/394495876.db2.gz GRUWZCAOPKGXBQ-NWDGAFQWSA-N 1 0 253.729 2.158 40 0 CEABRO [NH3+][C@H]1CCCN(c2nc3ccccc3nc2Cl)C1 ZINC000040434366 394499325 /nfs/dbraw/zinc/49/93/25/394499325.db2.gz YJEIZIFIQGKNOG-VIFPVBQESA-N 1 0 262.744 2.211 40 0 CEABRO O=C(Nc1ccccc1)c1conc1[C@@H]1CCC[NH2+]1 ZINC000072208430 394592262 /nfs/dbraw/zinc/59/22/62/394592262.db2.gz NBGGUVLWNYRDJM-LBPRGKRZSA-N 1 0 257.293 2.351 40 0 CEABRO CCOC(=O)[C@H](C[NH3+])[C@@](C)(CC)Nc1ccccc1 ZINC000072210423 394592303 /nfs/dbraw/zinc/59/23/03/394592303.db2.gz CSLWMWGDLMDQTK-DZGCQCFKSA-N 1 0 264.369 2.405 40 0 CEABRO CC[C@@H](O)c1ccc(N2CC[NH+](C(C)C)CC2)nc1 ZINC000072225613 394595365 /nfs/dbraw/zinc/59/53/65/394595365.db2.gz NMNZCUYURZLUPZ-CQSZACIVSA-N 1 0 263.385 2.055 40 0 CEABRO CC(C)[N@@H+]1CCC[C@H]1c1cnc(-c2cc[nH]n2)cn1 ZINC000257234370 394595644 /nfs/dbraw/zinc/59/56/44/394595644.db2.gz GTFQWLQYKSORQY-AWEZNQCLSA-N 1 0 257.341 2.412 40 0 CEABRO Clc1ccc(-c2n[nH]c3c2[C@H]2CC[C@@H](C3)[NH2+]2)cn1 ZINC000096510304 394694335 /nfs/dbraw/zinc/69/43/35/394694335.db2.gz AFMKTXOHZKBPEP-DTWKUNHWSA-N 1 0 260.728 2.474 40 0 CEABRO CC[C@@H]([C@H]([NH3+])c1ccc(F)cc1)S(=O)(=O)CC ZINC000096524955 394697461 /nfs/dbraw/zinc/69/74/61/394697461.db2.gz UQTGUEUCXORLKQ-NWDGAFQWSA-N 1 0 259.346 2.039 40 0 CEABRO CC[NH+](CC)CCCNC(=S)NCc1ccccc1 ZINC000006205165 170182568 /nfs/dbraw/zinc/18/25/68/170182568.db2.gz XBZILOOSTNMHHW-UHFFFAOYSA-N 1 0 279.453 2.383 40 0 CEABRO O[C@@H](COc1ccccc1F)C[NH+]1CCCCC1 ZINC000006528782 170210674 /nfs/dbraw/zinc/21/06/74/170210674.db2.gz WCYCSMDMPRSGRG-GFCCVEGCSA-N 1 0 253.317 2.051 40 0 CEABRO O=C(NCC[NH+]1CCCC1)Nc1ccc(F)cc1 ZINC000006819221 170246403 /nfs/dbraw/zinc/24/64/03/170246403.db2.gz ANVGYESCZHZERO-UHFFFAOYSA-N 1 0 251.305 2.043 40 0 CEABRO COc1ccccc1NC(=S)NC[C@@H]1CCC[N@H+](C)C1 ZINC000009876358 170388491 /nfs/dbraw/zinc/38/84/91/170388491.db2.gz SKZOXFPKXWNCEV-LBPRGKRZSA-N 1 0 293.436 2.323 40 0 CEABRO [NH3+]Cc1cc(-c2ccc(Br)cc2)ncn1 ZINC000020384099 171175267 /nfs/dbraw/zinc/17/52/67/171175267.db2.gz GJLGBBSKDUNNRJ-UHFFFAOYSA-N 1 0 264.126 2.365 40 0 CEABRO O=C1N(Cc2cccc(Cl)c2)CC[C@@]12CCC[NH2+]C2 ZINC000023509150 171423526 /nfs/dbraw/zinc/42/35/26/171423526.db2.gz MIKIXEXAOXDQTO-OAHLLOKOSA-N 1 0 278.783 2.442 40 0 CEABRO COc1cc(OC)c([C@H]2C[C@@H]2[C@@H](C)[NH3+])c(OC)c1 ZINC000037376633 173165686 /nfs/dbraw/zinc/16/56/86/173165686.db2.gz DWPAOPGTQTXRQL-IEBDPFPHSA-N 1 0 251.326 2.163 40 0 CEABRO CC(C)(C)OC(=O)N1CCC(C[NH2+]C2CC2)CC1 ZINC000072194493 176336949 /nfs/dbraw/zinc/33/69/49/176336949.db2.gz CZXMVDICWYFHTA-UHFFFAOYSA-N 1 0 254.374 2.386 40 0 CEABRO CCc1nccn1-c1cncc([C@@H]2CCC[N@H+](C)C2)n1 ZINC000072355465 176374948 /nfs/dbraw/zinc/37/49/48/176374948.db2.gz OJSXZGGKDZJOIR-GFCCVEGCSA-N 1 0 271.368 2.034 40 0 CEABRO c1sc(Nc2cnccn2)nc1[C@H]1CCCC[NH2+]1 ZINC000072361062 176377106 /nfs/dbraw/zinc/37/71/06/176377106.db2.gz NRYNMLUDHXJUFQ-SECBINFHSA-N 1 0 261.354 2.491 40 0 CEABRO CNc1cncc(C2CC[NH+](Cc3ccncc3)CC2)n1 ZINC000072363778 176378288 /nfs/dbraw/zinc/37/82/88/176378288.db2.gz QPCJXPHINKSWMV-UHFFFAOYSA-N 1 0 283.379 2.293 40 0 CEABRO C[N@@H+]1CCC[C@@H](c2ccnc(Nc3ncccn3)c2)C1 ZINC000072364984 176380074 /nfs/dbraw/zinc/38/00/74/176380074.db2.gz YBLXHANYXPZSNS-CYBMUJFWSA-N 1 0 269.352 2.424 40 0 CEABRO Cc1nonc1CNc1cccc(C2CC[NH+](C)CC2)n1 ZINC000072365455 176380827 /nfs/dbraw/zinc/38/08/27/176380827.db2.gz ULOPLMKCWNNIOD-UHFFFAOYSA-N 1 0 287.367 2.194 40 0 CEABRO C[NH+](C)CC(=O)N1CC[C@@H](Cc2cnc3ccccc3c2)C1 ZINC000072368194 176383357 /nfs/dbraw/zinc/38/33/57/176383357.db2.gz YBOMPXGLNMCLKT-AWEZNQCLSA-N 1 0 297.402 2.187 40 0 CEABRO Cn1cccc1C[N@@H+]1CCC[C@H](c2cnccn2)C1 ZINC000072369366 176384096 /nfs/dbraw/zinc/38/40/96/176384096.db2.gz VIIYNUBXSVLGGR-ZDUSSCGKSA-N 1 0 256.353 2.195 40 0 CEABRO Cn1cc(C[N@@H+]2CCC[C@@H](Cc3nccs3)C2)cn1 ZINC000072385814 176390483 /nfs/dbraw/zinc/39/04/83/176390483.db2.gz RQUKBPDBUNWAHU-LBPRGKRZSA-N 1 0 276.409 2.331 40 0 CEABRO C[N@@H+]1CCC[C@H](c2ccnc(C(=O)N3CCCC3)c2)C1 ZINC000072387014 176392797 /nfs/dbraw/zinc/39/27/97/176392797.db2.gz MUKRORNPQQABBI-AWEZNQCLSA-N 1 0 273.380 2.127 40 0 CEABRO COc1ccc(CN2C[C@H]3CCC[N@@H+]3C[C@H]2C)cc1OC ZINC000072397532 176395010 /nfs/dbraw/zinc/39/50/10/176395010.db2.gz AACBDFFUMQVXBK-UKRRQHHQSA-N 1 0 290.407 2.372 40 0 CEABRO Cc1cc(C)nc(NCCC[NH2+]Cc2ccccn2)n1 ZINC000062717874 262302143 /nfs/dbraw/zinc/30/21/43/262302143.db2.gz ZTYHMYYZFLUXRI-UHFFFAOYSA-N 1 0 271.368 2.080 40 0 CEABRO CC(C)(C)OC(=O)N1CC[NH2+]C[C@H](C(F)(F)F)C1 ZINC000091303678 277188941 /nfs/dbraw/zinc/18/89/41/277188941.db2.gz CWQGBNGEHCBHCG-QMMMGPOBSA-N 1 0 268.279 2.005 40 0 CEABRO CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000095836186 275519138 /nfs/dbraw/zinc/51/91/38/275519138.db2.gz OCTLOCGNRWISQP-VXGBXAGGSA-N 1 0 254.374 2.243 40 0 CEABRO CC(C)CN1c2ccccc2C2(CC[NH2+]CC2)S1(=O)=O ZINC000306124054 275894870 /nfs/dbraw/zinc/89/48/70/275894870.db2.gz BEGZUQMSZOUFSK-UHFFFAOYSA-N 1 0 294.420 2.071 40 0 CEABRO CCOc1ccccc1C[C@H](O)C[NH+](CC)CC ZINC000006382456 276382853 /nfs/dbraw/zinc/38/28/53/276382853.db2.gz JPRIUSQQGPTQME-AWEZNQCLSA-N 1 0 251.370 2.331 40 0 CEABRO CC(=O)N1CCC([NH2+][C@H]2CCC[C@@H](C)[C@@H]2C)CC1 ZINC000169619806 276959330 /nfs/dbraw/zinc/95/93/30/276959330.db2.gz ZPLRHLITMOXCRU-XUJVJEKNSA-N 1 0 252.402 2.412 40 0 CEABRO CC(=O)Nc1ccc(CN2C[C@@H]3CCC[N@H+]3C[C@H]2C)cc1 ZINC000072397535 277074929 /nfs/dbraw/zinc/07/49/29/277074929.db2.gz KRPIUDZFESOZPM-DYVFJYSZSA-N 1 0 287.407 2.314 40 0 CEABRO [NH3+]C[C@H]1CC[C@H]([C@H](NC(=O)C2CC2)c2ccccn2)CC1 ZINC000257200034 327122391 /nfs/dbraw/zinc/12/23/91/327122391.db2.gz ABSWLIXOEIFQIP-XEZPLFJOSA-N 1 0 287.407 2.414 40 0 CEABRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000095876169 327203366 /nfs/dbraw/zinc/20/33/66/327203366.db2.gz ZRGNCGMVKKCVGY-RISCZKNCSA-N 1 0 254.374 2.433 40 0 CEABRO COc1ccc2ccccc2c1[C@H]1C[C@@]1(C[NH3+])CO ZINC000062713363 525653309 /nfs/dbraw/zinc/65/33/09/525653309.db2.gz BRZRBCPNZPAFJJ-CZUORRHYSA-N 1 0 257.333 2.273 40 0 CEABRO c1cc(CN2CCC3(CC2)COCC[N@H+]3CC2CC2)co1 ZINC000096048913 185072589 /nfs/dbraw/zinc/07/25/89/185072589.db2.gz CKKYADADJGMRMP-UHFFFAOYSA-N 1 0 290.407 2.356 40 0 CEABRO O=C1[C@H]2C[N@H+](Cc3ccco3)C[C@H]2CN1c1ccccc1 ZINC000096053570 185074419 /nfs/dbraw/zinc/07/44/19/185074419.db2.gz BGDQONXEAPMOTO-BBRMVZONSA-N 1 0 282.343 2.374 40 0 CEABRO CN1C(=O)CCC[C@]12CCC[N@H+](Cc1ccncc1)C2 ZINC000096049972 185074985 /nfs/dbraw/zinc/07/49/85/185074985.db2.gz MACGVZNIRVAHMG-MRXNPFEDSA-N 1 0 273.380 2.059 40 0 CEABRO c1ccc(CN2C[C@H]3C[NH+](Cc4ccncc4)C[C@@H]3C2)nc1 ZINC000096053805 185076150 /nfs/dbraw/zinc/07/61/50/185076150.db2.gz RICPREWXZGIYFW-IAGOWNOFSA-N 1 0 294.402 2.040 40 0 CEABRO c1ccc(CN2C[C@@H]3C[NH+](Cc4ccncc4)C[C@H]3C2)nc1 ZINC000096053806 185076359 /nfs/dbraw/zinc/07/63/59/185076359.db2.gz RICPREWXZGIYFW-IRXDYDNUSA-N 1 0 294.402 2.040 40 0 CEABRO COC[C@H]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2ccoc2)O1 ZINC000096056376 185077074 /nfs/dbraw/zinc/07/70/74/185077074.db2.gz BHPAZLGBQJOAOP-MGPQQGTHSA-N 1 0 251.326 2.048 40 0 CEABRO COC[C@]12CCCO[C@H]1CC[N@H+](Cc1ccccn1)C2 ZINC000096056722 185077288 /nfs/dbraw/zinc/07/72/88/185077288.db2.gz YLSCRXPAZCUAOA-JKSUJKDBSA-N 1 0 276.380 2.099 40 0 CEABRO CCOC[C@@]12CCCO[C@@H]1CC[N@H+](Cc1ccccn1)C2 ZINC000096056803 185077343 /nfs/dbraw/zinc/07/73/43/185077343.db2.gz BSKDQECSJKCUNS-SJORKVTESA-N 1 0 290.407 2.489 40 0 CEABRO c1c2c(nn1CC1CC1)[C@H](C[NH2+]Cc1ccncc1)OCC2 ZINC000096059755 185081665 /nfs/dbraw/zinc/08/16/65/185081665.db2.gz OBLOIHVNLLTNHM-INIZCTEOSA-N 1 0 298.390 2.092 40 0 CEABRO Cn1cccc1C(=O)N1CCC2(CCCC[N@@H+]2C)CC1 ZINC000096078144 185089208 /nfs/dbraw/zinc/08/92/08/185089208.db2.gz YSHWKHFRBPJFKD-UHFFFAOYSA-N 1 0 275.396 2.116 40 0 CEABRO CCc1ccc(C[N@@H+]2CCc3ncnc(OC)c3CC2)o1 ZINC000096084042 185092509 /nfs/dbraw/zinc/09/25/09/185092509.db2.gz SGJGWVRYIRUMRS-UHFFFAOYSA-N 1 0 287.363 2.241 40 0 CEABRO CC[N@@H+]1C[C@H]2[C@@H](C1)N(CCc1ccccc1)CC[C@@H]2OC ZINC000096109406 185100235 /nfs/dbraw/zinc/10/02/35/185100235.db2.gz WASOUAFSLNQJDO-KSZLIROESA-N 1 0 288.435 2.270 40 0 CEABRO CCCC[C@H]1CN(c2ccc(C(=O)OC)cc2)CC[NH2+]1 ZINC000039952515 361990730 /nfs/dbraw/zinc/99/07/30/361990730.db2.gz HWVNOINYQFZFED-AWEZNQCLSA-N 1 0 276.380 2.442 40 0 CEABRO O=C1CCCC[C@]2(C[NH2+]C[C@H]2c2cc(F)cc(F)c2)N1 ZINC000019291879 343374044 /nfs/dbraw/zinc/37/40/44/343374044.db2.gz GFWKFRMQVGVZGV-DZGCQCFKSA-N 1 0 280.318 2.081 40 0 CEABRO C[C@@H](C[NH2+]Cc1ccccn1)C(=O)OC(C)(C)C ZINC000047219082 362201989 /nfs/dbraw/zinc/20/19/89/362201989.db2.gz CQJJEGFWAKINIZ-NSHDSACASA-N 1 0 250.342 2.149 40 0 CEABRO CC(C)(C)OC(=O)N[C@H]1C[NH2+]C[C@@H]1C1CCCC1 ZINC000143473943 344405794 /nfs/dbraw/zinc/40/57/94/344405794.db2.gz BPXYRGXZPFXSFZ-NEPJUHHUSA-N 1 0 254.374 2.289 40 0 CEABRO O=C(NC[C@@H]1C[NH2+]CCC1(F)F)OCc1ccccc1 ZINC000221089771 344539327 /nfs/dbraw/zinc/53/93/27/344539327.db2.gz SCUHCCDILGOUOM-LBPRGKRZSA-N 1 0 284.306 2.158 40 0 CEABRO Cc1ncc(-c2cncc(C[C@H]3CCC[N@H+](C)C3)n2)n1C ZINC000585260986 345009038 /nfs/dbraw/zinc/00/90/38/345009038.db2.gz HODHFHIALJDNHL-CYBMUJFWSA-N 1 0 285.395 2.070 40 0 CEABRO Cc1ccccc1OC[C@]1(O)CC[N@H+](Cc2ccccn2)C1 ZINC000585274274 345009154 /nfs/dbraw/zinc/00/91/54/345009154.db2.gz ICJLSAJABVPESA-SFHVURJKSA-N 1 0 298.386 2.406 40 0 CEABRO Cc1ccc(C[C@H]2[C@@H](O)CCC[N@H+]2Cc2nccn2C)cc1 ZINC000585274275 345009300 /nfs/dbraw/zinc/00/93/00/345009300.db2.gz IDBAKMLAVYBCSM-IRXDYDNUSA-N 1 0 299.418 2.297 40 0 CEABRO C[C@H]([NH3+])c1nnc2ccc(-c3ccc(Cl)cc3)nn21 ZINC000058021812 362606296 /nfs/dbraw/zinc/60/62/96/362606296.db2.gz JPFUISDYTKUBMR-QMMMGPOBSA-N 1 0 273.727 2.464 40 0 CEABRO CCOc1ccc(C(=O)NCC[NH+](C)C)cc1Cl ZINC000059400251 362648304 /nfs/dbraw/zinc/64/83/04/362648304.db2.gz GVRZWWDPZAKRAB-UHFFFAOYSA-N 1 0 270.760 2.030 40 0 CEABRO [NH3+][C@H]1CC(=O)N(C2CCCCC2)[C@@H]1c1cccnc1 ZINC000062211079 362714890 /nfs/dbraw/zinc/71/48/90/362714890.db2.gz DEVQHIRVQKIZIX-DZGCQCFKSA-N 1 0 259.353 2.015 40 0 CEABRO CCOc1ccc(C[NH2+]Cc2cn(C)nc2C)cc1 ZINC000123621854 187101111 /nfs/dbraw/zinc/10/11/11/187101111.db2.gz UZVZGWAJIALZJO-UHFFFAOYSA-N 1 0 259.353 2.417 40 0 CEABRO COc1cccc(C(=O)NCCC2CC[NH+](C)CC2)c1 ZINC000156347667 188257114 /nfs/dbraw/zinc/25/71/14/188257114.db2.gz FKCWPCLHSJYSHB-UHFFFAOYSA-N 1 0 276.380 2.157 40 0 CEABRO CC(C)(C)OC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C(F)(F)F ZINC000077034336 363546644 /nfs/dbraw/zinc/54/66/44/363546644.db2.gz PIARTJWWYHJFTF-JGVFFNPUSA-N 1 0 268.279 2.052 40 0 CEABRO CNC(=O)C(C)(C)C[NH2+][C@H]1C[C@H]2C[C@@H]1[C@H]1CCC[C@H]21 ZINC000096492706 283281567 /nfs/dbraw/zinc/28/15/67/283281567.db2.gz YMQKHTSKUCONSD-RGDJUOJXSA-N 1 0 264.413 2.173 40 0 CEABRO CC[N@@H+](CC(=O)[O-])CC1CC[NH+](Cc2ccccc2)CC1 ZINC000079393403 363593852 /nfs/dbraw/zinc/59/38/52/363593852.db2.gz CVOLWZGWEAXELW-UHFFFAOYSA-N 1 0 290.407 2.305 40 0 CEABRO CC[NH2+]C[C@@H]1CCCN1C(=O)OCc1ccccc1 ZINC000079437152 363600704 /nfs/dbraw/zinc/60/07/04/363600704.db2.gz VPMJDLCXKBRYQC-AWEZNQCLSA-N 1 0 262.353 2.397 40 0 CEABRO Cc1ccc(C(=O)C(CN(C)C)C[NH+](C)C)cc1C ZINC000001580570 361210173 /nfs/dbraw/zinc/21/01/73/361210173.db2.gz IJFMPZNZNFHTBS-UHFFFAOYSA-N 1 0 262.397 2.226 40 0 CEABRO COCCC[NH2+]CC(=O)Nc1cccc(Cl)c1C ZINC000001668547 361215151 /nfs/dbraw/zinc/21/51/51/361215151.db2.gz LPPIANIDQHTGKU-UHFFFAOYSA-N 1 0 270.760 2.213 40 0 CEABRO [NH3+]C[C@@H](O)COc1cccc2[nH]c3ccccc3c21 ZINC000002382384 361233186 /nfs/dbraw/zinc/23/31/86/361233186.db2.gz UUUATVREIARQHR-SNVBAGLBSA-N 1 0 256.305 2.020 40 0 CEABRO Cc1cc(=O)[nH]c(NC(=[NH2+])Nc2ccc(C)c(Cl)c2)n1 ZINC000013634082 361434807 /nfs/dbraw/zinc/43/48/07/361434807.db2.gz PUJSMCRNKAGZJM-UHFFFAOYSA-N 1 0 291.742 2.499 40 0 CEABRO Cc1ccc(C)c(O[C@@H](C)C(=O)NCCC[NH+](C)C)c1 ZINC000013710907 361438415 /nfs/dbraw/zinc/43/84/15/361438415.db2.gz OTSFEYLEFLEHFQ-AWEZNQCLSA-N 1 0 278.396 2.139 40 0 CEABRO COC(=O)CC1CC[NH+](Cc2ccccc2OC)CC1 ZINC000015423843 361472382 /nfs/dbraw/zinc/47/23/82/361472382.db2.gz MIGLUEIPVMTWIS-UHFFFAOYSA-N 1 0 277.364 2.470 40 0 CEABRO O=c1[nH]ccc(C[NH2+]C23CC4CC(CC(C4)C2)C3)c1O ZINC000016958076 361500063 /nfs/dbraw/zinc/50/00/63/361500063.db2.gz YHOCYABAYHCXQW-UHFFFAOYSA-N 1 0 274.364 2.139 40 0 CEABRO COc1ccccc1C[N@@H+]1C[C@H]2CCc3nnc(C)n3[C@H]2C1 ZINC000019288367 361526981 /nfs/dbraw/zinc/52/69/81/361526981.db2.gz JOPYEFMYLFPKTQ-HIFRSBDPSA-N 1 0 298.390 2.214 40 0 CEABRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc2c(c1)CCO2 ZINC000019575764 361543677 /nfs/dbraw/zinc/54/36/77/361543677.db2.gz PKDZNVJCOUGVNA-XJKSGUPXSA-N 1 0 272.392 2.290 40 0 CEABRO C[C@H](CCN1C[C@@H]2C[C@@H](O)C[N@@H+]2C[C@H]1C)c1ccccc1 ZINC000019575210 361544017 /nfs/dbraw/zinc/54/40/17/361544017.db2.gz OQWLLWPCXDAZNO-XYVMCAHJSA-N 1 0 288.435 2.320 40 0 CEABRO C[C@H]1CCC[N@H+](C[C@@H](O)COc2ccc(F)cc2)C1 ZINC000026781220 361644849 /nfs/dbraw/zinc/64/48/49/361644849.db2.gz NERBENWZMZEVBI-GXTWGEPZSA-N 1 0 267.344 2.297 40 0 CEABRO O[C@H](C[NH2+]Cc1ccccc1)COCc1ccccc1 ZINC000026897885 361646991 /nfs/dbraw/zinc/64/69/91/361646991.db2.gz RBWDXIHJXAZLIR-QGZVFWFLSA-N 1 0 271.360 2.354 40 0 CEABRO O[C@H](Cc1ccccc1)C[NH+]1CCN(c2ccccc2)CC1 ZINC000031688608 361717550 /nfs/dbraw/zinc/71/75/50/361717550.db2.gz WTIYVDBHKOAGAR-LJQANCHMSA-N 1 0 296.414 2.412 40 0 CEABRO [NH3+]Cc1cncn1Cc1ccc(Br)cc1 ZINC000085196702 363831289 /nfs/dbraw/zinc/83/12/89/363831289.db2.gz NPPACSADRBYJLF-UHFFFAOYSA-N 1 0 266.142 2.153 40 0 CEABRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CCN2CCCCC2)C1 ZINC000089065092 363927197 /nfs/dbraw/zinc/92/71/97/363927197.db2.gz MLNWEFINFSSSJQ-CQSZACIVSA-N 1 0 297.443 2.071 40 0 CEABRO [NH3+]Cc1cncn1Cc1cccc(C(F)(F)F)c1 ZINC000090240290 364050619 /nfs/dbraw/zinc/05/06/19/364050619.db2.gz MVTDMSSONSELRL-UHFFFAOYSA-N 1 0 255.243 2.409 40 0 CEABRO C[NH+](C)[C@@H]1CCN(Cc2ccco2)[C@H]1Cc1ccncc1 ZINC000096061730 364400095 /nfs/dbraw/zinc/40/00/95/364400095.db2.gz PBFXKTGEYUXFTN-SJORKVTESA-N 1 0 285.391 2.422 40 0 CEABRO c1nc2c(c(C3CC3)n1)CC[N@H+](CC1CCOCC1)CC2 ZINC000096058623 364400768 /nfs/dbraw/zinc/40/07/68/364400768.db2.gz FUGFCZKJPCKGRN-UHFFFAOYSA-N 1 0 287.407 2.181 40 0 CEABRO COc1ccc(C[NH+]2CCC3(C[C@@H](OC)CO3)CC2)cc1 ZINC000096158772 364403545 /nfs/dbraw/zinc/40/35/45/364403545.db2.gz HQMKVCBVJCZRBN-MRXNPFEDSA-N 1 0 291.391 2.465 40 0 CEABRO C[NH+](C)[C@@H]1CCN(C(=O)C2CC=CC2)[C@H]1Cc1cccnc1 ZINC000096200859 364410248 /nfs/dbraw/zinc/41/02/48/364410248.db2.gz RRHQCJAZMBSRID-SJORKVTESA-N 1 0 299.418 2.121 40 0 CEABRO CC(C)C[N@@H+]1CCC[C@@]12CCN(C(=O)c1ccno1)C2 ZINC000096203042 364411422 /nfs/dbraw/zinc/41/14/22/364411422.db2.gz WYHMHLBKPWNALR-HNNXBMFYSA-N 1 0 277.368 2.011 40 0 CEABRO COc1ncnc2c1CC[N@H+](Cc1ccccc1)CC2 ZINC000096255562 364417786 /nfs/dbraw/zinc/41/77/86/364417786.db2.gz INZVDFYXZHHNJY-UHFFFAOYSA-N 1 0 269.348 2.086 40 0 CEABRO CC(C)(C)OC(=O)N[C@@H](C[NH3+])CCc1ccccc1 ZINC000096295480 364420117 /nfs/dbraw/zinc/42/01/17/364420117.db2.gz WDFKZPGWMRLIHG-CYBMUJFWSA-N 1 0 264.369 2.471 40 0 CEABRO CC(C)(C)OC(=O)N1CCC(C[NH3+])(c2cccnc2)CC1 ZINC000098213778 364537653 /nfs/dbraw/zinc/53/76/53/364537653.db2.gz KETLARVYFFDKLL-UHFFFAOYSA-N 1 0 291.395 2.309 40 0 CEABRO O=C(CC1CCC2(CC[NH2+]CC2)CC1)N1CC=CC1 ZINC000101151039 364554670 /nfs/dbraw/zinc/55/46/70/364554670.db2.gz RUNCWOVOBWBLNA-UHFFFAOYSA-N 1 0 262.397 2.335 40 0 CEABRO C[C@@H]1C[C@@]1(C[NH3+])[C@@H](O)c1cccc(Br)c1 ZINC000216575844 189705031 /nfs/dbraw/zinc/70/50/31/189705031.db2.gz NZNKECSTXOMISB-ZHAHWJHGSA-N 1 0 270.170 2.467 40 0 CEABRO Cc1ccc(-c2ccc3nnc([C@H]4CC[NH2+]C4)n3n2)cc1C ZINC000217558072 189710264 /nfs/dbraw/zinc/71/02/64/189710264.db2.gz XZIYNCSUXNWKQK-AWEZNQCLSA-N 1 0 293.374 2.485 40 0 CEABRO C[C@@H](c1ccccc1)[N@@H+]1CCC[C@@]2(CN(C)C2=O)C1 ZINC000585099438 367177598 /nfs/dbraw/zinc/17/75/98/367177598.db2.gz JIYHEDORYCDKBB-XJKSGUPXSA-N 1 0 258.365 2.302 40 0 CEABRO Cn1cc(Cc2ccccc2Br)[nH+]c1N ZINC000199550707 370149153 /nfs/dbraw/zinc/14/91/53/370149153.db2.gz WRAOZCZCPICXPG-UHFFFAOYSA-N 1 0 266.142 2.356 40 0 CEABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cccnc1 ZINC000225430560 370294302 /nfs/dbraw/zinc/29/43/02/370294302.db2.gz SPNRBSZGQJPSNA-HNNXBMFYSA-N 1 0 275.396 2.466 40 0 CEABRO Cc1cccc(COCC[C@@H]2CCOC23CC[NH2+]CC3)n1 ZINC000247851775 371143760 /nfs/dbraw/zinc/14/37/60/371143760.db2.gz AYVLBAPAXDAVIA-OAHLLOKOSA-N 1 0 290.407 2.455 40 0 CEABRO CC[NH+]1CCC(NC(=O)c2ccc(F)s2)CC1 ZINC000252509701 371449769 /nfs/dbraw/zinc/44/97/69/371449769.db2.gz YTOKLCIHDALDTM-UHFFFAOYSA-N 1 0 256.346 2.101 40 0 CEABRO c1cncc(O[C@H]2CSC3(C[NH+](CC4CC4)C3)C2)c1 ZINC000253590735 371530664 /nfs/dbraw/zinc/53/06/64/371530664.db2.gz DZAUWGCLFHIUHB-CQSZACIVSA-N 1 0 276.405 2.430 40 0 CEABRO C[N@@H+]1CCC[C@@H](c2cnc(N3C(=O)OCC3(C)C)cn2)C1 ZINC000257271769 371611132 /nfs/dbraw/zinc/61/11/32/371611132.db2.gz MZSJKJUMUWFJDB-LLVKDONJSA-N 1 0 290.367 2.021 40 0 CEABRO Cc1nn(C)c2nc([C@]3(C)CCC[N@H+](C)C3)ccc12 ZINC000257317916 371613408 /nfs/dbraw/zinc/61/34/08/371613408.db2.gz VLSCXPVBESGWGJ-OAHLLOKOSA-N 1 0 258.369 2.260 40 0 CEABRO O=C(c1ccc(OC[C@H]2CCC[NH2+]C2)cc1)N1CCCC1 ZINC000044029916 296224807 /nfs/dbraw/zinc/22/48/07/296224807.db2.gz JEPNBKUIAXDZOR-AWEZNQCLSA-N 1 0 288.391 2.301 40 0 CEABRO Cn1nccc1C[NH+]1CCC(C)(c2nccs2)CC1 ZINC000257200650 190010731 /nfs/dbraw/zinc/01/07/31/190010731.db2.gz AEFYHTATQPXYSJ-UHFFFAOYSA-N 1 0 276.409 2.430 40 0 CEABRO C[N@@H+]1CCC[C@H](Cc2cncc(-c3ncco3)n2)C1 ZINC000257200831 190011027 /nfs/dbraw/zinc/01/10/27/190011027.db2.gz AFBJBNIGFMZBBI-LLVKDONJSA-N 1 0 258.325 2.016 40 0 CEABRO C[NH+]1CCC(c2ccnc(Nc3ncccn3)c2)CC1 ZINC000257206476 190011355 /nfs/dbraw/zinc/01/13/55/190011355.db2.gz BDQVJXVLDQUZSG-UHFFFAOYSA-N 1 0 269.352 2.424 40 0 CEABRO CCn1nccc1-c1cncc(C[C@@H]2CCC[N@H+](C)C2)n1 ZINC000257203021 190011787 /nfs/dbraw/zinc/01/17/87/190011787.db2.gz AOICLKCFLTUYFE-ZDUSSCGKSA-N 1 0 285.395 2.244 40 0 CEABRO CCn1cc(-c2cncc(C[C@@H]3CCC[N@H+](C)C3)n2)cn1 ZINC000257236609 190017963 /nfs/dbraw/zinc/01/79/63/190017963.db2.gz HCYVBGSTERHBNU-ZDUSSCGKSA-N 1 0 285.395 2.244 40 0 CEABRO Cc1c[nH]c(-c2cc(CC3CC[NH+](C)CC3)ncn2)n1 ZINC000257254000 190021231 /nfs/dbraw/zinc/02/12/31/190021231.db2.gz KBEFBGCLUUKJSI-UHFFFAOYSA-N 1 0 271.368 2.059 40 0 CEABRO Fc1ccccc1OCc1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000257259043 190021552 /nfs/dbraw/zinc/02/15/52/190021552.db2.gz KWPDZYSIGCNVQZ-SNVBAGLBSA-N 1 0 261.300 2.205 40 0 CEABRO Cc1cn(C)c([C@H]2CCC[N@H+](CC3CCOCC3)C2)n1 ZINC000257283413 190026067 /nfs/dbraw/zinc/02/60/67/190026067.db2.gz OYFCSSHXZGNDHJ-HNNXBMFYSA-N 1 0 277.412 2.335 40 0 CEABRO CC(C)[N@@H+]1CC[C@@H](Cc2cnc(-c3ccnn3C)cn2)C1 ZINC000257282214 190026144 /nfs/dbraw/zinc/02/61/44/190026144.db2.gz OSXIFUZPJAPSAX-ZDUSSCGKSA-N 1 0 285.395 2.150 40 0 CEABRO CCn1nccc1-c1cnc(C[C@H]2CCC[N@H+](C)C2)cn1 ZINC000257286437 190026696 /nfs/dbraw/zinc/02/66/96/190026696.db2.gz PLPILFNRIWDLCW-CYBMUJFWSA-N 1 0 285.395 2.244 40 0 CEABRO Cn1nccc1-c1cc(C[C@H]2CCC[N@H+](C)C2)ccn1 ZINC000257286935 190027054 /nfs/dbraw/zinc/02/70/54/190027054.db2.gz PNSFLBKAJFFEJD-CQSZACIVSA-N 1 0 270.380 2.366 40 0 CEABRO Cc1cccnc1Nc1nccnc1[C@H]1CCC[NH2+]C1 ZINC000257289052 190028070 /nfs/dbraw/zinc/02/80/70/190028070.db2.gz PWTTZHDMGIAYHP-LBPRGKRZSA-N 1 0 269.352 2.391 40 0 CEABRO Cc1ccc(Nc2nccc(C3CC[NH2+]CC3)n2)nc1 ZINC000257296357 190028786 /nfs/dbraw/zinc/02/87/86/190028786.db2.gz RCLPJRXNTQLDKJ-UHFFFAOYSA-N 1 0 269.352 2.391 40 0 CEABRO CCN1CCC([N@@H+]2CC[C@@H](c3nc(C)cn3C)C2)CC1 ZINC000257300403 190029387 /nfs/dbraw/zinc/02/93/87/190029387.db2.gz RUDJNQLNRVCTMV-CQSZACIVSA-N 1 0 276.428 2.002 40 0 CEABRO Cc1c[nH]nc1C[C@H]1CCC[N@H+](Cc2ccnc(C)n2)C1 ZINC000257308614 190030872 /nfs/dbraw/zinc/03/08/72/190030872.db2.gz TXJQPROJDQSXQR-CQSZACIVSA-N 1 0 285.395 2.271 40 0 CEABRO c1csc(Nc2cnc([C@H]3CCC[NH2+]C3)cn2)n1 ZINC000257335222 190036656 /nfs/dbraw/zinc/03/66/56/190036656.db2.gz YJELNMAJGQOLNF-VIFPVBQESA-N 1 0 261.354 2.144 40 0 CEABRO COC[C@@H]1CC[N@H+](C)C2(CN(C(=O)C3=CCCCC3)C2)C1 ZINC000306134437 376540648 /nfs/dbraw/zinc/54/06/48/376540648.db2.gz NNIFZLIKCYABEH-CQSZACIVSA-N 1 0 292.423 2.056 40 0 CEABRO CC(C)C[N@@H+]1C[C@H]2CN(C(=O)Nc3ccccc3)C[C@H]21 ZINC000306133326 376541518 /nfs/dbraw/zinc/54/15/18/376541518.db2.gz MILOUHMKHQMEJO-DZGCQCFKSA-N 1 0 273.380 2.491 40 0 CEABRO CC(C)[NH2+]CCCCCSc1ccnc(N)n1 ZINC000001608584 184528039 /nfs/dbraw/zinc/52/80/39/184528039.db2.gz MSGWVOJDPHOGKD-UHFFFAOYSA-N 1 0 254.403 2.319 40 0 CEABRO OCC[C@H]1C[NH2+]Cc2c(Br)cccc21 ZINC000095868220 285267002 /nfs/dbraw/zinc/26/70/02/285267002.db2.gz UGKRIEQXVISJOZ-QMMMGPOBSA-N 1 0 256.143 2.018 40 0 CEABRO Cc1cc(N2CCOCC2)ncc1[C@@H]1CCCC[N@H+]1C ZINC000072219414 256707779 /nfs/dbraw/zinc/70/77/79/256707779.db2.gz DFYMOXQTQOPXJI-HNNXBMFYSA-N 1 0 275.396 2.383 40 0 CEABRO C[N@@H+]1C[C@@H]2CCC[C@H](C1)C2CC(=O)NCc1ccco1 ZINC000096252226 256834304 /nfs/dbraw/zinc/83/43/04/256834304.db2.gz OLCGMYRVTWEGHS-NNQSOWQGSA-N 1 0 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ZINC000042238458 362072809 /nfs/dbraw/zinc/07/28/09/362072809.db2.gz FSQPILAXUJBECJ-NSHDSACASA-N 1 0 285.185 2.049 40 0 CEABRO Cc1ccc(CN2CC[C@@H]3[C@@H]2CC[N@@H+]3[C@@H]2CCOC2)o1 ZINC000096184702 344238838 /nfs/dbraw/zinc/23/88/38/344238838.db2.gz LKROGKHWLIOURS-VNQPRFMTSA-N 1 0 276.380 2.026 40 0 CEABRO COc1ccc2c3c1O[C@@H]1C[C@@H](O)C=C(CC[N@@H+](C)C2)[C@H]31 ZINC000101729130 344249086 /nfs/dbraw/zinc/24/90/86/344249086.db2.gz FFQKTDKDUHFQKE-CFVMTHIKSA-N 1 0 287.359 2.066 40 0 CEABRO C[NH2+]CCCNc1ccnc2c(OC)cc(OC)cc12 ZINC000222682160 529971503 /nfs/dbraw/zinc/97/15/03/529971503.db2.gz RJFUJGMQHKPADS-UHFFFAOYSA-N 1 0 275.352 2.273 40 0 CEABRO CCOC(=O)[C@H]1C[N@H+](Cc2ccccc2)CC12CC2 ZINC000148843135 344414534 /nfs/dbraw/zinc/41/45/34/344414534.db2.gz JEZLFPHQDRWQJL-CQSZACIVSA-N 1 0 259.349 2.462 40 0 CEABRO C[C@@H]1C[NH2+]CCN1C(=O)c1ccc(Cl)cc1Cl ZINC000054369974 362532320 /nfs/dbraw/zinc/53/23/20/362532320.db2.gz AKJXQMCDSIZPHF-MRVPVSSYSA-N 1 0 273.163 2.427 40 0 CEABRO NC(=O)[C@H](c1cccc(Cl)c1)[C@H]1CCCC[NH2+]1 ZINC000059534387 362649779 /nfs/dbraw/zinc/64/97/79/362649779.db2.gz NNXZVDYCDYJWSX-VXGBXAGGSA-N 1 0 252.745 2.051 40 0 CEABRO COc1ccccc1-c1cnc2n1CC[C@]21CC[NH2+]C1 ZINC000306133991 201844019 /nfs/dbraw/zinc/84/40/19/201844019.db2.gz NBFIWEHMIHJJQO-INIZCTEOSA-N 1 0 269.348 2.194 40 0 CEABRO C[C@H]1CN(C(=O)c2ccc(C(C)(C)C)cc2)CC[NH2+]1 ZINC000062656663 362719365 /nfs/dbraw/zinc/71/93/65/362719365.db2.gz CZBBVCHBGNHGBW-LBPRGKRZSA-N 1 0 260.381 2.418 40 0 CEABRO c1ccc([C@H]2CNCC[N@H+]2CC2CCOCC2)cc1 ZINC000068696161 362944687 /nfs/dbraw/zinc/94/46/87/362944687.db2.gz RIQUVGITKWYUDX-MRXNPFEDSA-N 1 0 260.381 2.060 40 0 CEABRO Cc1ccc(Nc2ncnc3c2CC[NH2+]CC3)cc1 ZINC000107240246 186163194 /nfs/dbraw/zinc/16/31/94/186163194.db2.gz FJTGYHRGLSKCGP-UHFFFAOYSA-N 1 0 254.337 2.217 40 0 CEABRO O=C1[C@@H]2C[N@H+](Cc3ccccn3)C[C@@H]2CN1c1ccccc1 ZINC000107742910 186188893 /nfs/dbraw/zinc/18/88/93/186188893.db2.gz CEDUHCXFNALMTE-RHSMWYFYSA-N 1 0 293.370 2.176 40 0 CEABRO Cc1cccc(C[NH+]2CCC3(CCC(=O)NC3)CC2)c1 ZINC000108535337 186222201 /nfs/dbraw/zinc/22/22/01/186222201.db2.gz ZHJOBFUWFBYYOZ-UHFFFAOYSA-N 1 0 272.392 2.487 40 0 CEABRO C[NH+](C)CCCNC(=O)Cc1cccc(Br)c1 ZINC000123781669 187108692 /nfs/dbraw/zinc/10/86/92/187108692.db2.gz RKGDROKPSUYNET-UHFFFAOYSA-N 1 0 299.212 2.060 40 0 CEABRO Cc1nc([C@@H]2CCC[N@@H+]2C2CCCCC2)ncc1C(N)=O ZINC000072345419 363130059 /nfs/dbraw/zinc/13/00/59/363130059.db2.gz NKZPAILZPDZDOF-AWEZNQCLSA-N 1 0 288.395 2.354 40 0 CEABRO CC(C)Nc1cc(C2CC2)[nH+]c(N[C@H](CO)C(C)C)n1 ZINC000328966529 202132253 /nfs/dbraw/zinc/13/22/53/202132253.db2.gz CMICKNIYPAOIBG-CYBMUJFWSA-N 1 0 278.400 2.025 40 0 CEABRO OC1(c2ccc(OC(F)(F)F)cc2)CC[NH2+]CC1 ZINC000079033316 363567965 /nfs/dbraw/zinc/56/79/65/363567965.db2.gz QNLHZSOJRVCATG-UHFFFAOYSA-N 1 0 261.243 2.156 40 0 CEABRO CC[N@H+](CCO)C[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000079393519 363594518 /nfs/dbraw/zinc/59/45/18/363594518.db2.gz GBGJOVWOEAVFAF-KRWDZBQOSA-N 1 0 276.424 2.213 40 0 CEABRO CCO[P@@](C)(=O)[C@@H]([NH3+])Cc1ccc(OC)c(OC)c1 ZINC000001643265 361213618 /nfs/dbraw/zinc/21/36/18/361213618.db2.gz MKZYOIOCNIKTSN-BFUOFWGJSA-N 1 0 287.296 2.476 40 0 CEABRO CCOc1ccc(C[C@@H](O)C[NH2+]CC(C)C)cc1 ZINC000001672739 361216617 /nfs/dbraw/zinc/21/66/17/361216617.db2.gz IYGBTDLBFZDZNP-CQSZACIVSA-N 1 0 251.370 2.234 40 0 CEABRO CC(C)[NH2+]C[C@@H](O)COc1ccc2ncsc2c1 ZINC000003652147 361288183 /nfs/dbraw/zinc/28/81/83/361288183.db2.gz XRGOPNMDPQXPIW-SNVBAGLBSA-N 1 0 266.366 2.034 40 0 CEABRO [NH3+]C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000019504164 361540174 /nfs/dbraw/zinc/54/01/74/361540174.db2.gz JTROVPBOAMJGNN-UHFFFAOYSA-N 1 0 272.270 2.269 40 0 CEABRO [NH3+]C[C@@H](c1cccc(Cl)c1Cl)N1CCOCC1 ZINC000019518092 361542204 /nfs/dbraw/zinc/54/22/04/361542204.db2.gz XJGRQFMBDQFKHP-NSHDSACASA-N 1 0 275.179 2.325 40 0 CEABRO COc1ccc(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c(OC)c1 ZINC000019575760 361543738 /nfs/dbraw/zinc/54/37/38/361543738.db2.gz FADZAKJCSKJSIQ-ZFWWWQNUSA-N 1 0 290.407 2.372 40 0 CEABRO c1ccc([C@@H](c2ccncc2)N2CC[NH2+]CC2)cc1 ZINC000019932899 361569359 /nfs/dbraw/zinc/56/93/59/361569359.db2.gz AJWYEGULHTYSBW-INIZCTEOSA-N 1 0 253.349 2.076 40 0 CEABRO O=C(c1cccc(C(F)(F)F)c1)N1CCC[NH2+]CC1 ZINC000019392573 361530044 /nfs/dbraw/zinc/53/00/44/361530044.db2.gz STJNUBDPLBXZNE-UHFFFAOYSA-N 1 0 272.270 2.141 40 0 CEABRO O[C@]12CCCCC[C@@]1([NH+]1CCOCC1)c1ccccc12 ZINC000031851972 361721493 /nfs/dbraw/zinc/72/14/93/361721493.db2.gz AWVQMXZKIOHRCJ-SJORKVTESA-N 1 0 273.376 2.379 40 0 CEABRO COc1cccc(OC[C@@H](O)C[NH2+]Cc2ccccc2)c1 ZINC000032139957 361731401 /nfs/dbraw/zinc/73/14/01/361731401.db2.gz PGMSLVAJQOSOTG-HNNXBMFYSA-N 1 0 287.359 2.225 40 0 CEABRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CCN2CCCCC2)C1 ZINC000089065091 363926460 /nfs/dbraw/zinc/92/64/60/363926460.db2.gz MLNWEFINFSSSJQ-AWEZNQCLSA-N 1 0 297.443 2.071 40 0 CEABRO [NH3+]CCc1ncc(C(F)(F)F)cc1Br ZINC000095096693 364340467 /nfs/dbraw/zinc/34/04/67/364340467.db2.gz VHJSGCIJKNMUHH-UHFFFAOYSA-N 1 0 269.064 2.364 40 0 CEABRO c1ccc(C[NH+]2CC3(C2)CCN(c2ncccn2)C3)cc1 ZINC000096202592 364411121 /nfs/dbraw/zinc/41/11/21/364411121.db2.gz KVOLNDAPQRIHFQ-UHFFFAOYSA-N 1 0 280.375 2.189 40 0 CEABRO Cc1cccc(C[NH+]2CCC3(CN(CC4CC4)C3=O)CC2)n1 ZINC000096202855 364411555 /nfs/dbraw/zinc/41/15/55/364411555.db2.gz LERXCDSBOSQUDM-UHFFFAOYSA-N 1 0 299.418 2.224 40 0 CEABRO COC[C@@H]1C[N@H+](C)C[C@@]12CCN(Cc1cccs1)C2 ZINC000096218078 364413033 /nfs/dbraw/zinc/41/30/33/364413033.db2.gz SNUDYNPFHTZCHQ-DZGCQCFKSA-N 1 0 280.437 2.148 40 0 CEABRO CC[N@@H+]1CCOCC12CCN(C(=O)c1cccs1)CC2 ZINC000096226159 364414461 /nfs/dbraw/zinc/41/44/61/364414461.db2.gz JGGWVMDTHIPHDD-UHFFFAOYSA-N 1 0 294.420 2.075 40 0 CEABRO CN1C(=O)CCC12CC[NH+](Cc1cccs1)CC2 ZINC000096228009 364414972 /nfs/dbraw/zinc/41/49/72/364414972.db2.gz BWKNWDVFPTUPCA-UHFFFAOYSA-N 1 0 264.394 2.335 40 0 CEABRO c1coc(C[N@H+]2CC[C@H]3OCCN(CC4CC4)[C@H]3CC2)c1 ZINC000096249303 364416067 /nfs/dbraw/zinc/41/60/67/364416067.db2.gz OXKNUNVMFCNJIV-DLBZAZTESA-N 1 0 290.407 2.355 40 0 CEABRO CNC(=O)N[C@H]1CC2(CC[NH+](C)CC2)c2cc(C)ccc21 ZINC000096241765 364417127 /nfs/dbraw/zinc/41/71/27/364417127.db2.gz DBABTXQICONYDH-HNNXBMFYSA-N 1 0 287.407 2.332 40 0 CEABRO COCC[N@@H+]1CCc2ncnc(-c3ccccc3)c2CC1 ZINC000096255372 364418462 /nfs/dbraw/zinc/41/84/62/364418462.db2.gz RLAVLYONHDQYGJ-UHFFFAOYSA-N 1 0 283.375 2.191 40 0 CEABRO CN1C(=O)CC[C@]12CCC[N@H+](Cc1nccs1)CC2 ZINC000585100516 367178225 /nfs/dbraw/zinc/17/82/25/367178225.db2.gz LWMQWFQFXKEOQY-AWEZNQCLSA-N 1 0 279.409 2.120 40 0 CEABRO CC(C)[C@@H]([NH3+])c1nnc2ccc(-c3ccccc3)nn21 ZINC000217564262 370197822 /nfs/dbraw/zinc/19/78/22/370197822.db2.gz HTJBMJZCQHHDLN-CQSZACIVSA-N 1 0 267.336 2.447 40 0 CEABRO CC[N@@H+]1CC[C@@]2(c3ccccc3)CCN(C(C)=O)C[C@@H]12 ZINC000247898983 371145575 /nfs/dbraw/zinc/14/55/75/371145575.db2.gz ADFKGDUQBPZDFV-SJORKVTESA-N 1 0 272.392 2.271 40 0 CEABRO C[NH+](C)CC[C@@H]1CN(Cc2ccccc2)Cc2ccnn21 ZINC000248132679 371163251 /nfs/dbraw/zinc/16/32/51/371163251.db2.gz QTOJHDPXPVGGJE-QGZVFWFLSA-N 1 0 284.407 2.392 40 0 CEABRO COc1cc(C[NH2+]Cc2ccnn2C(F)F)ccc1O ZINC000256049666 190002757 /nfs/dbraw/zinc/00/27/57/190002757.db2.gz AVYXVAYINWMWPY-UHFFFAOYSA-N 1 0 283.278 2.282 40 0 CEABRO CCn1ncc(C)c1CNCCC[NH+](CC)CC ZINC000256050978 190003779 /nfs/dbraw/zinc/00/37/79/190003779.db2.gz HGMTXOBMGPKGTE-UHFFFAOYSA-N 1 0 252.406 2.033 40 0 CEABRO CC[C@H](C)n1nccc1CNCC[NH+](CC)CC ZINC000256053523 190004699 /nfs/dbraw/zinc/00/46/99/190004699.db2.gz RTXGBJCCWLJPOE-ZDUSSCGKSA-N 1 0 252.406 2.286 40 0 CEABRO Cc1ccnc([C@H]2CC[N@@H+](Cc3cccn3C)C2)n1 ZINC000257212425 190013191 /nfs/dbraw/zinc/01/31/91/190013191.db2.gz CDIOVHLEUBIEFR-ZDUSSCGKSA-N 1 0 256.353 2.113 40 0 CEABRO c1ccc(C[C@H]2COCC[N@@H+](C3CCOCC3)C2)cc1 ZINC000257226730 190015323 /nfs/dbraw/zinc/01/53/23/190015323.db2.gz FLWHIFQLCQVPRJ-MRXNPFEDSA-N 1 0 275.392 2.357 40 0 CEABRO c1cn2c(n1)nccc2[C@@H]1CCC[N@H+]1Cc1ccncc1 ZINC000257228024 190015948 /nfs/dbraw/zinc/01/59/48/190015948.db2.gz FRZZEROJNCWHLI-AWEZNQCLSA-N 1 0 279.347 2.461 40 0 CEABRO CCCn1cc(-c2nccnc2[C@H]2CCC[NH2+]C2)cn1 ZINC000257219693 190014154 /nfs/dbraw/zinc/01/41/54/190014154.db2.gz DHSSZGHHSKKDMP-LBPRGKRZSA-N 1 0 271.368 2.217 40 0 CEABRO CCn1nccc1-c1cc([C@@H]2CCC[N@@H+]2C)nc(C)n1 ZINC000257223443 190015009 /nfs/dbraw/zinc/01/50/09/190015009.db2.gz DXJFVLHENFHJTA-AWEZNQCLSA-N 1 0 271.368 2.435 40 0 CEABRO CC(C)n1nccc1-c1cc(C[C@H]2CC[NH2+]C2)ncn1 ZINC000257227567 190015092 /nfs/dbraw/zinc/01/50/92/190015092.db2.gz FPYFACAVUOANJF-GFCCVEGCSA-N 1 0 271.368 2.073 40 0 CEABRO CCn1cc(-c2nccnc2C[C@@H]2CCC[N@H+](C)C2)cn1 ZINC000257243166 190018385 /nfs/dbraw/zinc/01/83/85/190018385.db2.gz IFRMHXNINWBTLQ-ZDUSSCGKSA-N 1 0 285.395 2.244 40 0 CEABRO CCn1nccc1-c1cncc([C@@H]2CCC[N@@H+]2C)n1 ZINC000257243295 190018824 /nfs/dbraw/zinc/01/88/24/190018824.db2.gz IGGJMFCIBRWUQO-ZDUSSCGKSA-N 1 0 257.341 2.127 40 0 CEABRO CCCn1cc(-c2cncc(C3CC[NH2+]CC3)n2)cn1 ZINC000257249571 190020108 /nfs/dbraw/zinc/02/01/08/190020108.db2.gz JIYGKZHMKRVVSX-UHFFFAOYSA-N 1 0 271.368 2.217 40 0 CEABRO Cc1c[nH]nc1[C@H]1CC[N@H+](Cc2ccc(C)nc2)C1 ZINC000257285044 190026921 /nfs/dbraw/zinc/02/69/21/190026921.db2.gz PFKBCBBBYLFGGM-AWEZNQCLSA-N 1 0 256.353 2.411 40 0 CEABRO CC(C)[N@@H+]1CCC[C@H](c2cncc(-c3ccnn3C)n2)C1 ZINC000257290680 190027827 /nfs/dbraw/zinc/02/78/27/190027827.db2.gz QDXHBZDXLAVSIZ-ZDUSSCGKSA-N 1 0 285.395 2.465 40 0 CEABRO Cc1cc(-c2nccnc2C[C@H]2CCC[N@@H+](C)C2)n[nH]1 ZINC000257328769 190034634 /nfs/dbraw/zinc/03/46/34/190034634.db2.gz XHBAJTIFIIVBCR-GFCCVEGCSA-N 1 0 271.368 2.059 40 0 CEABRO Cc1ccnc([C@@H]2CC[N@H+](Cc3ncccc3C)C2)n1 ZINC000257332127 190035258 /nfs/dbraw/zinc/03/52/58/190035258.db2.gz XVWFXHFDFMEDPA-CQSZACIVSA-N 1 0 268.364 2.478 40 0 CEABRO c1cc2nccc(C[C@H]3CC4(CO3)CC[NH2+]CC4)c2cn1 ZINC000257339513 190037281 /nfs/dbraw/zinc/03/72/81/190037281.db2.gz ZCBBILYZWXYHIO-AWEZNQCLSA-N 1 0 283.375 2.331 40 0 CEABRO O=C(c1ccsc1)N1C[C@]2(CC[NH2+]C2)c2ncccc21 ZINC000306124724 376539597 /nfs/dbraw/zinc/53/95/97/376539597.db2.gz BXSCCQYWBKZZCX-OAHLLOKOSA-N 1 0 285.372 2.035 40 0 CEABRO CC[NH+](CC)C[C@]1(C)NN=C2C(n3cccc3)=CC=CN21 ZINC000001609102 284735418 /nfs/dbraw/zinc/73/54/18/284735418.db2.gz GNFHBUATZXYEPB-MRXNPFEDSA-N 1 0 285.395 2.133 40 0 CEABRO O=C1CCC[C@@]2(CCC[N@@H+](Cc3ccc(F)cc3)C2)N1 ZINC000096049944 296321512 /nfs/dbraw/zinc/32/15/12/296321512.db2.gz RHZNYTVNCMYEST-INIZCTEOSA-N 1 0 276.355 2.460 40 0 CEABRO COc1ccc(OC[C@H](O)C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000033542068 394492673 /nfs/dbraw/zinc/49/26/73/394492673.db2.gz RHMRQCVSUOJGHE-RBSFLKMASA-N 1 0 293.407 2.413 40 0 CEABRO Cc1nc(N2CC[NH+](C)CC2)ccc1[C@@H](O)c1ccccc1 ZINC000072224651 394594371 /nfs/dbraw/zinc/59/43/71/394594371.db2.gz CQYRNBCKPQGLAM-SFHVURJKSA-N 1 0 297.402 2.224 40 0 CEABRO CC(=O)N1CC[N@H+](CC2CC2)C[C@@H]1c1ccccc1 ZINC000257229493 394595414 /nfs/dbraw/zinc/59/54/14/394595414.db2.gz FYIAFFBDGYHKBN-MRXNPFEDSA-N 1 0 258.365 2.302 40 0 CEABRO Cc1cc(-c2cc(C)nc([C@H]3CCC[N@@H+](C)C3)n2)n[nH]1 ZINC000257258288 394595618 /nfs/dbraw/zinc/59/56/18/394595618.db2.gz KTEIRCCEZJDBSZ-LBPRGKRZSA-N 1 0 271.368 2.293 40 0 CEABRO C[N@@H+]1CCC[C@@H](Nc2cncc(Br)c2)C1 ZINC000096510503 394694183 /nfs/dbraw/zinc/69/41/83/394694183.db2.gz UGBBFMZUPNGDOF-SNVBAGLBSA-N 1 0 270.174 2.350 40 0 CEABRO COc1ccc(OC[C@H](O)C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000006008122 286346379 /nfs/dbraw/zinc/34/63/79/286346379.db2.gz RHMRQCVSUOJGHE-QLFBSQMISA-N 1 0 293.407 2.413 40 0 CEABRO COCCC[NH2+]C[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000089212811 292363107 /nfs/dbraw/zinc/36/31/07/292363107.db2.gz KFQMABWSILIQAR-ZDUSSCGKSA-N 1 0 286.416 2.402 40 0 CEABRO Cc1cccc(O[C@@H](C)C(=O)NCCC[NH+]2CCCC2)c1 ZINC000013632592 170570456 /nfs/dbraw/zinc/57/04/56/170570456.db2.gz LXPNKNUDEAEREY-HNNXBMFYSA-N 1 0 290.407 2.364 40 0 CEABRO COc1ccc(-c2nnc(C3CC[NH2+]CC3)o2)cc1 ZINC000019780360 170861740 /nfs/dbraw/zinc/86/17/40/170861740.db2.gz LMBUXXPVWDFKQK-UHFFFAOYSA-N 1 0 259.309 2.212 40 0 CEABRO [NH3+]C1CCN(Cc2ccc(Br)s2)CC1 ZINC000020521561 171235064 /nfs/dbraw/zinc/23/50/64/171235064.db2.gz HSSBHYUFRCXERX-UHFFFAOYSA-N 1 0 275.215 2.434 40 0 CEABRO Cc1cc(C)c(C)c(O[C@@H](C)C(=O)NCCC[NH+](C)C)c1 ZINC000030757793 171622936 /nfs/dbraw/zinc/62/29/36/171622936.db2.gz RQFYYEBRNHHBCW-HNNXBMFYSA-N 1 0 292.423 2.447 40 0 CEABRO Cc1cccc(NC(=O)C[NH2+]Cc2cccnc2)c1C ZINC000035311497 172122413 /nfs/dbraw/zinc/12/24/13/172122413.db2.gz MCUCWIOEGHFDAU-UHFFFAOYSA-N 1 0 269.348 2.427 40 0 CEABRO O=C(C[NH2+]Cc1ccc2c(c1)OCO2)Nc1ccccc1 ZINC000035316152 172122977 /nfs/dbraw/zinc/12/29/77/172122977.db2.gz LVCWOSATJQRLNO-UHFFFAOYSA-N 1 0 284.315 2.144 40 0 CEABRO CC(C)CCC[NH2+]Cc1ccc(OCC(N)=O)cc1 ZINC000036612909 172640346 /nfs/dbraw/zinc/64/03/46/172640346.db2.gz SZKPZQUFSNDAOP-UHFFFAOYSA-N 1 0 264.369 2.077 40 0 CEABRO Nc1[nH+]ccn1Cc1ccccc1Br ZINC000037483157 173228877 /nfs/dbraw/zinc/22/88/77/173228877.db2.gz LRFORQXPZHDMOH-UHFFFAOYSA-N 1 0 252.115 2.276 40 0 CEABRO [NH3+][C@H]1CCCN(Cc2cc(Br)cs2)C1 ZINC000038539961 174146236 /nfs/dbraw/zinc/14/62/36/174146236.db2.gz XGBUUOWJOQEQTB-VIFPVBQESA-N 1 0 275.215 2.434 40 0 CEABRO C[C@H]([NH3+])Cc1ccccc1I ZINC000039624417 174171043 /nfs/dbraw/zinc/17/10/43/174171043.db2.gz WSTDXRKNIDTRHW-ZETCQYMHSA-N 1 0 261.106 2.181 40 0 in-vitro CEABRO Nc1ncc(-c2ccccc2)c([C@H]2CCCC[N@@H+]2CCO)n1 ZINC000072354571 176375008 /nfs/dbraw/zinc/37/50/08/176375008.db2.gz DJYSVJGZYVLTEV-OAHLLOKOSA-N 1 0 298.390 2.245 40 0 CEABRO C[N@@H+]1CCC[C@@H](c2cnc(Nc3nccs3)cn2)C1 ZINC000072361544 176377777 /nfs/dbraw/zinc/37/77/77/176377777.db2.gz LRKNQVBPEFZRQM-SNVBAGLBSA-N 1 0 275.381 2.486 40 0 CEABRO Cc1cc(C)nc(Nc2cncc([C@H]3CCC[NH2+]3)n2)n1 ZINC000072376507 176385233 /nfs/dbraw/zinc/38/52/33/176385233.db2.gz YKKZBGGRSQBPER-LLVKDONJSA-N 1 0 270.340 2.052 40 0 CEABRO C[NH+]1CCC(C(=O)NCCCc2ccccc2)CC1 ZINC000074713279 176603328 /nfs/dbraw/zinc/60/33/28/176603328.db2.gz LWNVWHPZCSCPII-UHFFFAOYSA-N 1 0 260.381 2.077 40 0 CEABRO [NH3+]C[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000228905742 260316690 /nfs/dbraw/zinc/31/66/90/260316690.db2.gz OTQDOZSDVVKALL-LBPRGKRZSA-N 1 0 258.287 2.400 40 0 CEABRO Brc1ccc2snc(N3CC[NH2+]CC3)c2c1 ZINC000329013569 273475350 /nfs/dbraw/zinc/47/53/50/273475350.db2.gz MQRFPDQZBNNKCS-UHFFFAOYSA-N 1 0 298.209 2.468 40 0 CEABRO [NH3+]CCS[C@@]1(O)c2ccccc2-c2ccccc2C1=O ZINC000003613994 274946214 /nfs/dbraw/zinc/94/62/14/274946214.db2.gz HZKDTFXQZYFOOS-INIZCTEOSA-N 1 0 285.368 2.387 40 0 CEABRO Cc1cc(-c2cc([C@H]3CCCC[NH2+]3)nc(C)n2)n[nH]1 ZINC000257316945 280284692 /nfs/dbraw/zinc/28/46/92/280284692.db2.gz VHRHEVCAAFDOOJ-LLVKDONJSA-N 1 0 257.341 2.298 40 0 CEABRO COc1ccc([C@@]23CCC(=O)N2[C@H]2CCCC[C@@H]2[NH2+]3)cc1 ZINC000059605622 295233040 /nfs/dbraw/zinc/23/30/40/295233040.db2.gz ZCQCHXXNRLTQGO-YQQAZPJKSA-N 1 0 286.375 2.385 40 0 CEABRO CCOC(=O)CC(=O)[C@H]1CCCN1Cc1ccccc1 ZINC000026896622 327132912 /nfs/dbraw/zinc/13/29/12/327132912.db2.gz AYYUONFQYZPRRR-CQSZACIVSA-N 1 0 275.348 2.173 40 0 CEABRO CC(C)[N@H+](C1CCCCC1)[C@@H]1CNCC[C@@]1(C)O ZINC000685936217 567104922 /nfs/dbraw/zinc/10/49/22/567104922.db2.gz KQGQPKSUPVGZKW-HUUCEWRRSA-N 1 0 254.418 2.142 40 0 CEABRO CCC[C@H]1N=C(SC)NC(C)=C1C(=O)OCC ZINC000408730558 570219250 /nfs/dbraw/zinc/21/92/50/570219250.db2.gz HYPAQDPDEMLLPS-SECBINFHSA-N 1 0 256.371 2.314 40 0 CEABRO O=C1CC[C@@]2(CCC[N@H+](Cc3cccs3)CC2)N1 ZINC000096047436 185073146 /nfs/dbraw/zinc/07/31/46/185073146.db2.gz LPHLDWYPNPQVAS-CQSZACIVSA-N 1 0 264.394 2.383 40 0 CEABRO c1ccc(C[NH+]2C[C@H]3CN(Cc4cccnc4)C[C@@H]3C2)nc1 ZINC000096053739 185073965 /nfs/dbraw/zinc/07/39/65/185073965.db2.gz KKKJJFQEUFFWDH-IAGOWNOFSA-N 1 0 294.402 2.040 40 0 CEABRO O=C1C[C@@H]2[C@H](CC[N@@H+]2Cc2ccco2)N1Cc1ccncc1 ZINC000096055672 185075361 /nfs/dbraw/zinc/07/53/61/185075361.db2.gz PHMKLVMOKRBPNK-JKSUJKDBSA-N 1 0 297.358 2.050 40 0 CEABRO Cc1noc([C@H]2CC[C@@H]3[C@@H](CC[N@@H+]3Cc3ccoc3)O2)n1 ZINC000096057514 185077554 /nfs/dbraw/zinc/07/75/54/185077554.db2.gz IZZSSYMSRXUUOW-MGPQQGTHSA-N 1 0 289.335 2.466 40 0 CEABRO c1cncc(O[C@@H]2CC[C@H]3[C@H]2OCC[N@H+]3CC2CC2)c1 ZINC000096057981 185078420 /nfs/dbraw/zinc/07/84/20/185078420.db2.gz DHTVSABXAQZHEG-ARFHVFGLSA-N 1 0 274.364 2.102 40 0 CEABRO COc1ccc(C[NH2+][C@H]2CCc3[nH]c(=O)ccc3C2)cc1 ZINC000096067518 185085473 /nfs/dbraw/zinc/08/54/73/185085473.db2.gz PKBKWKVPSYHJAW-AWEZNQCLSA-N 1 0 284.359 2.031 40 0 CEABRO COc1ncccc1C[N@@H+]1CC[C@@H]2O[C@@H](C)C[C@H]2C1 ZINC000096070513 185085693 /nfs/dbraw/zinc/08/56/93/185085693.db2.gz RRRVNUSHBZVOTM-UBHSHLNASA-N 1 0 262.353 2.090 40 0 CEABRO CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NC(=O)CCN1CCOCC1)C2 ZINC000035930605 361823732 /nfs/dbraw/zinc/82/37/32/361823732.db2.gz YXXRVERJCNRUEY-CPUCHLNUSA-N 1 0 294.439 2.040 40 0 CEABRO O=C(Cc1cccs1)N1CC[C@@]2(CC[N@@H+]2CC2CC2)C1 ZINC000096076004 185089497 /nfs/dbraw/zinc/08/94/97/185089497.db2.gz FHZNXFYBJNEPKR-MRXNPFEDSA-N 1 0 290.432 2.377 40 0 CEABRO CCN1CCn2c(-c3ccccc3)cnc2C12CC[NH2+]CC2 ZINC000096087746 185094309 /nfs/dbraw/zinc/09/43/09/185094309.db2.gz HFPLVTYFUIRDOG-UHFFFAOYSA-N 1 0 296.418 2.464 40 0 CEABRO Clc1cccc(OCCCCN2CC[NH2+]CC2)c1 ZINC000041388972 362032726 /nfs/dbraw/zinc/03/27/26/362032726.db2.gz AKHJTGBZUAZSTP-UHFFFAOYSA-N 1 0 268.788 2.404 40 0 CEABRO COc1ccc(Br)cc1CN1CCC[C@H]([NH3+])C1 ZINC000041027927 362013369 /nfs/dbraw/zinc/01/33/69/362013369.db2.gz FEYUVOVNSWILOH-LBPRGKRZSA-N 1 0 299.212 2.381 40 0 CEABRO C[C@H]1CCC[N@H+](CCCNC(=O)C2CCCC2)C1 ZINC000046960004 362192277 /nfs/dbraw/zinc/19/22/77/362192277.db2.gz FHYVGIFKIHUBBH-ZDUSSCGKSA-N 1 0 252.402 2.415 40 0 CEABRO Cc1nc(N2Cc3ccccc3C[C@@H]2C)cc(NCCO)[nH+]1 ZINC000329042609 136377592 /nfs/dbraw/zinc/37/75/92/136377592.db2.gz SOYBEKZQZPRYHW-LBPRGKRZSA-N 1 0 298.390 2.140 40 0 CEABRO Cn1cncc1-c1nnc([C@H]2CC[N@H+](Cc3ccco3)C2)o1 ZINC000049170461 362343175 /nfs/dbraw/zinc/34/31/75/362343175.db2.gz YJEQAJXIBXAHCU-NSHDSACASA-N 1 0 299.334 2.053 40 0 biogenic,in-vitro CEABRO O=C1CC[C@H]2[C@H](CC[N@@H+]2CC2CC2)N1Cc1ccncc1 ZINC000096186400 344238958 /nfs/dbraw/zinc/23/89/58/344238958.db2.gz TWWABEJEFQYZHL-HOTGVXAUSA-N 1 0 285.391 2.057 40 0 CEABRO O=C1C[C@H]2[C@@H](CC[N@@H+]2CC2CC2)N1c1ccsc1 ZINC000096184146 344238893 /nfs/dbraw/zinc/23/88/93/344238893.db2.gz NMRYPNDWZVQNNK-OLZOCXBDSA-N 1 0 262.378 2.338 40 0 CEABRO COc1ccc(OC[C@H](O)C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000247928982 344621495 /nfs/dbraw/zinc/62/14/95/344621495.db2.gz RHMRQCVSUOJGHE-SOUVJXGZSA-N 1 0 293.407 2.413 40 0 CEABRO Cc1ccc(OC[C@]2(O)CC[N@H+](Cc3ccccn3)C2)cc1 ZINC000585269293 345009324 /nfs/dbraw/zinc/00/93/24/345009324.db2.gz OJLMTJMJLQTKCX-SFHVURJKSA-N 1 0 298.386 2.406 40 0 CEABRO CC1(C)[C@H](Cc2cc(CO)on2)C[C@@H]1[NH2+]CC1CC1 ZINC000067890275 362929476 /nfs/dbraw/zinc/92/94/76/362929476.db2.gz HWMIWFULDPFDHM-RISCZKNCSA-N 1 0 264.369 2.124 40 0 biogenic,in-vitro CEABRO c1ccc([C@@H]2CNCC[N@H+]2CC2CCOCC2)cc1 ZINC000068696157 362944345 /nfs/dbraw/zinc/94/43/45/362944345.db2.gz RIQUVGITKWYUDX-INIZCTEOSA-N 1 0 260.381 2.060 40 0 CEABRO CCN1CC[C@]2(CCC[N@H+](Cc3ccncc3)CC2)C1=O ZINC000108528546 186220610 /nfs/dbraw/zinc/22/06/10/186220610.db2.gz SDLPMSZZJVONON-QGZVFWFLSA-N 1 0 287.407 2.306 40 0 CEABRO C[NH+]1CCC(C(=O)Nc2ccc(F)c(F)c2)CC1 ZINC000074713475 363375056 /nfs/dbraw/zinc/37/50/56/363375056.db2.gz JREJNNMBPOCNSN-UHFFFAOYSA-N 1 0 254.280 2.245 40 0 CEABRO C[NH+]1CCC(CC(=O)Nc2ccccc2F)CC1 ZINC000074921001 363418878 /nfs/dbraw/zinc/41/88/78/363418878.db2.gz WPTPXKLXSQKWFH-UHFFFAOYSA-N 1 0 250.317 2.496 40 0 CEABRO CNc1cc(C)nc(N2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000074934138 363424079 /nfs/dbraw/zinc/42/40/79/363424079.db2.gz BAMIHPZAFQAOCN-UHFFFAOYSA-N 1 0 297.406 2.149 40 0 CEABRO CC(C)Nc1nc(NCc2cccnc2)cc(C2CC2)[nH+]1 ZINC000328982367 202140349 /nfs/dbraw/zinc/14/03/49/202140349.db2.gz GZICXEBEPTVWLL-UHFFFAOYSA-N 1 0 283.379 2.025 40 0 CEABRO CCOc1cncc(N2CC[C@]3(C[C@H]4CC[N@@H+]3C4)C2)c1 ZINC000079042108 363568044 /nfs/dbraw/zinc/56/80/44/363568044.db2.gz LJMVVAMADGFENL-CJNGLKHVSA-N 1 0 273.380 2.155 40 0 CEABRO CC(C)N(C[C@H]1CCCN(CC[NH3+])C1)C(=O)OC(C)(C)C ZINC000079408558 363597584 /nfs/dbraw/zinc/59/75/84/363597584.db2.gz JJNQSNCXQVERIK-AWEZNQCLSA-N 1 0 299.459 2.303 40 0 CEABRO CC[N@@H+](Cc1ccccc1)C[C@H]1CCCN(CCO)C1 ZINC000079414232 363597363 /nfs/dbraw/zinc/59/73/63/363597363.db2.gz ICHYVSCXFWXEHL-QGZVFWFLSA-N 1 0 276.424 2.213 40 0 CEABRO CC(C)[C@H]([NH3+])C(=O)N(Cc1ccc(Cl)nc1)C1CC1 ZINC000079421683 363598637 /nfs/dbraw/zinc/59/86/37/363598637.db2.gz VGEPJCRSAPDOSY-ZDUSSCGKSA-N 1 0 281.787 2.209 40 0 CEABRO CCN(Cc1ccc(F)cc1)C(=O)[C@@H]([NH3+])C(C)C ZINC000079420382 363598748 /nfs/dbraw/zinc/59/87/48/363598748.db2.gz WOFFNQHNGFLLSL-ZDUSSCGKSA-N 1 0 252.333 2.158 40 0 CEABRO Cc1cc(C)nc(SCCc2cccc[n+]2C)n1 ZINC000001614588 361212329 /nfs/dbraw/zinc/21/23/29/361212329.db2.gz YZHLMYMQFZDFEB-UHFFFAOYSA-N 1 0 260.386 2.253 40 0 in-vitro CEABRO CCCCOc1ccc(C(=O)OCC[NH+](C)C)cc1N ZINC000001656304 361214909 /nfs/dbraw/zinc/21/49/09/361214909.db2.gz IHSKDQMERPBXDQ-UHFFFAOYSA-N 1 0 280.368 2.166 40 0 CEABRO C[NH+](C)CCNC(=O)/C=C/c1ccccc1Cl ZINC000003069617 361262420 /nfs/dbraw/zinc/26/24/20/361262420.db2.gz NHOMOHUVMWLSJU-BQYQJAHWSA-N 1 0 252.745 2.031 40 0 CEABRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1[nH]nnc1-c1ccccc1 ZINC000019575058 361543887 /nfs/dbraw/zinc/54/38/87/361543887.db2.gz WUUMZCWPQSDLDY-HIFRSBDPSA-N 1 0 297.406 2.140 40 0 CEABRO CNc1nc(C)c(C(=O)N(C)CC[NH+]2CCCCC2)s1 ZINC000019717609 361549102 /nfs/dbraw/zinc/54/91/02/361549102.db2.gz CJKPZDVVUXSZKG-UHFFFAOYSA-N 1 0 296.440 2.051 40 0 CEABRO CC[C@@H](CO)[NH2+]C[C@H](O)COc1ccc(C(C)C)c(C)c1 ZINC000026781331 361644820 /nfs/dbraw/zinc/64/48/20/361644820.db2.gz ROJPOKKJRSSHPI-GJZGRUSLSA-N 1 0 295.423 2.219 40 0 CEABRO Cc1cccc(CC[NH2+]CCc2cccc(C)n2)n1 ZINC000026898852 361646498 /nfs/dbraw/zinc/64/64/98/361646498.db2.gz YYIRBLVMEWGRNO-UHFFFAOYSA-N 1 0 255.365 2.468 40 0 CEABRO O[C@@H](C[NH2+]Cc1ccccc1)COCc1ccccc1 ZINC000026897882 361646907 /nfs/dbraw/zinc/64/69/07/361646907.db2.gz RBWDXIHJXAZLIR-KRWDZBQOSA-N 1 0 271.360 2.354 40 0 CEABRO [NH3+]CC1(F)CCN(C(=O)OCc2ccccc2)CC1 ZINC000085224736 363832782 /nfs/dbraw/zinc/83/27/82/363832782.db2.gz IJUVVFGCZRZNFB-UHFFFAOYSA-N 1 0 266.316 2.086 40 0 CEABRO COc1ncccc1CN1CC[C@H]2[C@H]1CC[N@@H+]2CC1CC1 ZINC000096184398 364407306 /nfs/dbraw/zinc/40/73/06/364407306.db2.gz GNOKISZZHQTDFF-JKSUJKDBSA-N 1 0 287.407 2.149 40 0 CEABRO c1cnc(N2CCC[C@@]3(CC[N@@H+](CC4CC4)C3)C2)nc1 ZINC000096047166 364397837 /nfs/dbraw/zinc/39/78/37/364397837.db2.gz JPKKMKHDIIKISI-INIZCTEOSA-N 1 0 272.396 2.179 40 0 CEABRO CCO[C@@H]1COC2(C1)CC[NH+](Cc1ccccn1)CC2 ZINC000096158732 364403180 /nfs/dbraw/zinc/40/31/80/364403180.db2.gz XAJTUADEZBHDJL-HNNXBMFYSA-N 1 0 276.380 2.242 40 0 CEABRO CO[C@@H]1CC[N@H+](Cc2nccn2C)[C@H]1Cc1ccccc1 ZINC000096200054 364408755 /nfs/dbraw/zinc/40/87/55/364408755.db2.gz FSQRSBODWQPDFY-JKSUJKDBSA-N 1 0 285.391 2.252 40 0 CEABRO c1ncn2c1C[N@H+](CC1CC1)C[C@H](COc1cccnc1)C2 ZINC000096209342 364412942 /nfs/dbraw/zinc/41/29/42/364412942.db2.gz ZOWFYNIPKFWMFH-HNNXBMFYSA-N 1 0 298.390 2.199 40 0 CEABRO CC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccc(C)o1)C2 ZINC000096215942 364413429 /nfs/dbraw/zinc/41/34/29/364413429.db2.gz SBPFMWIHTIFWCI-INIZCTEOSA-N 1 0 276.380 2.422 40 0 CEABRO COCC[N@@H+]1CCCC12CCN(Cc1nccs1)CC2 ZINC000096227881 364414782 /nfs/dbraw/zinc/41/47/82/364414782.db2.gz BKVKYRGQEBHXNV-UHFFFAOYSA-N 1 0 295.452 2.220 40 0 CEABRO Cn1nc(COCC2CC2)c2c1C[N@H+](CC1CC1)CC2 ZINC000096259895 364418611 /nfs/dbraw/zinc/41/86/11/364418611.db2.gz ODJDBABHMNNHON-UHFFFAOYSA-N 1 0 275.396 2.115 40 0 CEABRO COc1cccc(C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)c1 ZINC000096268567 364420833 /nfs/dbraw/zinc/42/08/33/364420833.db2.gz PDEJUARFCIHTIZ-QGZVFWFLSA-N 1 0 288.391 2.253 40 0 CEABRO COc1ccc2c3c1O[C@H]1C=CC=C4[C@@H](C2)[NH2+]CC[C@@]341 ZINC000096316328 364420946 /nfs/dbraw/zinc/42/09/46/364420946.db2.gz CSUYNRBNNNLWIP-HACGYAERSA-N 1 0 267.328 2.108 40 0 biogenic,in-vitro CEABRO C[C@H]1c2ncc(CCOCc3ccncc3)n2CC[N@H+]1C ZINC000585097775 367177199 /nfs/dbraw/zinc/17/71/99/367177199.db2.gz OLDHWSARQUNESW-ZDUSSCGKSA-N 1 0 286.379 2.044 40 0 CEABRO COCC[N@@H+]1CCC[C@@]2(CN(CC3CCCCC3)C2=O)C1 ZINC000585099399 367177504 /nfs/dbraw/zinc/17/75/04/367177504.db2.gz ICUHPWCSWBVVHO-KRWDZBQOSA-N 1 0 294.439 2.138 40 0 CEABRO C[NH+](C)CCCNC(=O)Cc1ccc(Cl)cc1F ZINC000169831085 367372582 /nfs/dbraw/zinc/37/25/82/367372582.db2.gz PLDXCFZFJMZQPB-UHFFFAOYSA-N 1 0 272.751 2.090 40 0 CEABRO COc1ccc(N[C@H]2CCCC[C@H]2[NH3+])c(OC)c1 ZINC000218860762 370213959 /nfs/dbraw/zinc/21/39/59/370213959.db2.gz YVBICIOTVFORIW-NEPJUHHUSA-N 1 0 250.342 2.386 40 0 CEABRO CCCn1cc(C[NH2+]Cc2ccc(O)c(OC)c2)cn1 ZINC000256054225 190005029 /nfs/dbraw/zinc/00/50/29/190005029.db2.gz VMVZIPJDFFYKID-UHFFFAOYSA-N 1 0 275.352 2.297 40 0 CEABRO CCn1cc(C[NH2+]Cc2c(C)cnn2CC)c(C)n1 ZINC000256055230 190005279 /nfs/dbraw/zinc/00/52/79/190005279.db2.gz ZVCIKHYKSYJPEK-UHFFFAOYSA-N 1 0 261.373 2.026 40 0 CEABRO COc1cccc(CC[NH2+]Cc2c(C)cnn2C)c1 ZINC000256051107 190003980 /nfs/dbraw/zinc/00/39/80/190003980.db2.gz HSXUZCXGHRZQKZ-UHFFFAOYSA-N 1 0 259.353 2.069 40 0 CEABRO Cc1nn(C2CCCC2)cc1C[NH2+]CCCCO ZINC000256053083 190004163 /nfs/dbraw/zinc/00/41/63/190004163.db2.gz PWXRKRKKKKJBTA-UHFFFAOYSA-N 1 0 251.374 2.169 40 0 CEABRO NC(=O)[C@@]1(Cc2ccc(-c3ccccc3)cc2)CC[NH2+]C1 ZINC000257197964 190009931 /nfs/dbraw/zinc/00/99/31/190009931.db2.gz OUKRRZVGRMVXLA-GOSISDBHSA-N 1 0 280.371 2.361 40 0 CEABRO COc1ccccc1[C@H]1C[NH2+]CCN1Cc1cscn1 ZINC000257226989 190015537 /nfs/dbraw/zinc/01/55/37/190015537.db2.gz FNCZINOHHLBTEF-CQSZACIVSA-N 1 0 289.404 2.298 40 0 CEABRO CC(C)[N@@H+]1CCC[C@@H](c2nccnc2-c2ccnn2C)C1 ZINC000257229032 190016227 /nfs/dbraw/zinc/01/62/27/190016227.db2.gz FWKKCMXBDLXBSK-CYBMUJFWSA-N 1 0 285.395 2.465 40 0 CEABRO Cc1cccc(Nc2cncc([C@@H]3CCC[NH2+]C3)n2)n1 ZINC000257222132 190014922 /nfs/dbraw/zinc/01/49/22/190014922.db2.gz DSBPQXYMUCIHON-GFCCVEGCSA-N 1 0 269.352 2.391 40 0 CEABRO CC(C)CNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)ccn1 ZINC000257254030 190020475 /nfs/dbraw/zinc/02/04/75/190020475.db2.gz KBHCSBFCSDZVPK-AWEZNQCLSA-N 1 0 261.369 2.234 40 0 CEABRO c1cncc(O[C@@H]2CC[C@@H]3C[N@@H+](Cc4cncnc4)C[C@H]23)c1 ZINC000257246757 190019143 /nfs/dbraw/zinc/01/91/43/190019143.db2.gz IVSCFTCYMRCTAX-HYVNUMGLSA-N 1 0 296.374 2.161 40 0 CEABRO CCn1cc(CN2CC[N@H+](C)[C@H](c3ccccc3)C2)cn1 ZINC000257265046 190023298 /nfs/dbraw/zinc/02/32/98/190023298.db2.gz LXBCCSCABXWYFS-KRWDZBQOSA-N 1 0 284.407 2.392 40 0 CEABRO Cc1cn(C)c([C@@H]2CCC[N@H+](CC3CCOCC3)C2)n1 ZINC000257283414 190026607 /nfs/dbraw/zinc/02/66/07/190026607.db2.gz OYFCSSHXZGNDHJ-OAHLLOKOSA-N 1 0 277.412 2.335 40 0 CEABRO CCN(CC)C(=O)c1cc([C@@H]2CCC[N@@H+]2C)ccn1 ZINC000257274596 190024750 /nfs/dbraw/zinc/02/47/50/190024750.db2.gz NLUIAYFETPUVBI-AWEZNQCLSA-N 1 0 261.369 2.330 40 0 CEABRO COc1ccc([C@@H]2C[NH2+]CCN2Cc2nccs2)cc1 ZINC000257310224 190032016 /nfs/dbraw/zinc/03/20/16/190032016.db2.gz UEFYZNLMYDWBBJ-AWEZNQCLSA-N 1 0 289.404 2.298 40 0 CEABRO C[N@@H+]1CCCC[C@H]1c1cncc(NCC2CCOCC2)n1 ZINC000257314720 190032968 /nfs/dbraw/zinc/03/29/68/190032968.db2.gz UYEHIZZCPBIONY-HNNXBMFYSA-N 1 0 290.411 2.472 40 0 CEABRO CCCn1cc(C[N@@H+]2CC[C@H](OC)[C@]3(CCCO3)C2)cn1 ZINC000257332726 190035566 /nfs/dbraw/zinc/03/55/66/190035566.db2.gz XYKADCOMMDZCHW-HOTGVXAUSA-N 1 0 293.411 2.063 40 0 CEABRO C[C@]12CCCC[N@H+](Cc3ccccn3)[C@H]1CCCC(=O)N2 ZINC000257344622 190037838 /nfs/dbraw/zinc/03/78/38/190037838.db2.gz ZYADBCGDUUHAAJ-RDJZCZTQSA-N 1 0 287.407 2.495 40 0 CEABRO Cc1ccoc1C(=O)N1CC[C@H]2[C@H]1CC[N@@H+]2CC1CC1 ZINC000306143061 376542441 /nfs/dbraw/zinc/54/24/41/376542441.db2.gz XSCCDNOAKBMWMR-UONOGXRCSA-N 1 0 274.364 2.287 40 0 CEABRO CC(C)[N@@H+]1CCC[C@@H]1c1ccc(N2CCOCC2)nc1 ZINC000072216161 256711730 /nfs/dbraw/zinc/71/17/30/256711730.db2.gz QOLXMYIPOPDACE-OAHLLOKOSA-N 1 0 275.396 2.464 40 0 CEABRO O=C(c1ccno1)N1CC[C@]2(C1)CCC[N@H+](CC1CC1)C2 ZINC000096215537 256825958 /nfs/dbraw/zinc/82/59/58/256825958.db2.gz MEBLVZDRXMPNMR-MRXNPFEDSA-N 1 0 289.379 2.013 40 0 CEABRO Cc1nc(N2CCc3ccccc3C2)ccc1C[NH3+] ZINC000072224927 394594240 /nfs/dbraw/zinc/59/42/40/394594240.db2.gz OQQYUFGBRLWSLT-UHFFFAOYSA-N 1 0 253.349 2.411 40 0 CEABRO Cc1cc(N2CC[NH2+]CC2)ncc1C(=O)c1ccccc1 ZINC000072223574 394594667 /nfs/dbraw/zinc/59/46/67/394594667.db2.gz OVYYOPZSDOIADB-UHFFFAOYSA-N 1 0 281.359 2.031 40 0 CEABRO CN(C)C(=O)C[C@H](c1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000072208338 394591914 /nfs/dbraw/zinc/59/19/14/394591914.db2.gz NJNYDDLPSLBMGQ-HUUCEWRRSA-N 1 0 260.381 2.391 40 0 CEABRO COc1ccc(N[C@H]2COC3(C2)CC[NH2+]CC3)cc1 ZINC000096157181 394677200 /nfs/dbraw/zinc/67/72/00/394677200.db2.gz LWFLJBPZTMEAGU-CYBMUJFWSA-N 1 0 262.353 2.018 40 0 CEABRO CC[C@@H]([C@@H]([NH3+])c1cccc(F)c1)S(=O)(=O)CC ZINC000096524965 394697249 /nfs/dbraw/zinc/69/72/49/394697249.db2.gz CWRWGXOIIGZXRM-RYUDHWBXSA-N 1 0 259.346 2.039 40 0 CEABRO CC[C@@H]([C@H]([NH3+])c1ccccc1C)S(=O)(=O)CC ZINC000096524967 394697419 /nfs/dbraw/zinc/69/74/19/394697419.db2.gz JHGWRWDTBYPKKB-QWHCGFSZSA-N 1 0 255.383 2.208 40 0 CEABRO C[N@H+]1C[C@@H](c2cccc(Br)c2)[C@H](CO)C1 ZINC000217673271 400307756 /nfs/dbraw/zinc/30/77/56/400307756.db2.gz UOALQWUFZSXGPE-JQWIXIFHSA-N 1 0 270.170 2.087 40 0 CEABRO C[NH2+]C1(c2nnnn2-c2cccc(Cl)c2)CCCC1 ZINC000005525956 170108625 /nfs/dbraw/zinc/10/86/25/170108625.db2.gz GHMSZVCDGCKWGB-UHFFFAOYSA-N 1 0 277.759 2.304 40 0 CEABRO CC1=[NH+][C@@H](C)CNc2c3ccccc3n(C)c(=O)c21 ZINC000006268249 170187167 /nfs/dbraw/zinc/18/71/67/170187167.db2.gz LCBFUZVHQZZMSK-VIFPVBQESA-N 1 0 255.321 2.162 40 0 CEABRO CCc1ccc(NC(=S)NCCC[NH+](C)C)cc1 ZINC000007526519 170289462 /nfs/dbraw/zinc/28/94/62/170289462.db2.gz ZHISAFZYYQLPIK-UHFFFAOYSA-N 1 0 265.426 2.487 40 0 CEABRO C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCC[NH+](C)C ZINC000010111497 170397706 /nfs/dbraw/zinc/39/77/06/170397706.db2.gz ARHWIZNXDCLEKH-SNVBAGLBSA-N 1 0 286.828 2.498 40 0 CEABRO [NH3+]C[C@@H]1CN(Cc2ccc(Cl)c(Cl)c2)CCO1 ZINC000016083134 170686633 /nfs/dbraw/zinc/68/66/33/170686633.db2.gz UANWWXRZQGYWSR-SNVBAGLBSA-N 1 0 275.179 2.153 40 0 CEABRO [NH3+]C1CCN(C(=O)c2c(F)cccc2Cl)CC1 ZINC000020267685 171124317 /nfs/dbraw/zinc/12/43/17/171124317.db2.gz KCPHYJFMOQKJDR-UHFFFAOYSA-N 1 0 256.708 2.042 40 0 CEABRO CCn1cc(C[NH2+]Cc2ccc(O)c(OC)c2)c(C)n1 ZINC000020352615 171156784 /nfs/dbraw/zinc/15/67/84/171156784.db2.gz TVIKAQCPZOETJI-UHFFFAOYSA-N 1 0 275.352 2.215 40 0 CEABRO Fc1cccc(OCCc2cc([C@@H]3CC[NH2+]C3)[nH]n2)c1 ZINC000072374091 176385370 /nfs/dbraw/zinc/38/53/70/176385370.db2.gz IFOOVNJOPKYTPR-LLVKDONJSA-N 1 0 275.327 2.247 40 0 CEABRO C[NH+](C)CCn1c([C@@H]2CCCO2)cc2cccnc21 ZINC000072390204 176394135 /nfs/dbraw/zinc/39/41/35/176394135.db2.gz CNJMWOURUKZUHH-AWEZNQCLSA-N 1 0 259.353 2.449 40 0 CEABRO C[NH2+][C@H]1CCCC[C@H]1NC(=O)OCc1ccccc1 ZINC000079437146 177490008 /nfs/dbraw/zinc/49/00/08/177490008.db2.gz ZBBFTRDSLJSSGF-UONOGXRCSA-N 1 0 262.353 2.443 40 0 CEABRO CC(=O)N1CCC2(CC1)C[N@H+](C)CC[C@H]2C(F)(F)F ZINC000299842096 419473326 /nfs/dbraw/zinc/47/33/26/419473326.db2.gz CWVGBWMCWVSQKF-LLVKDONJSA-N 1 0 278.318 2.129 40 0 CEABRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@]1(N)C(F)(F)F ZINC000228906085 260316783 /nfs/dbraw/zinc/31/67/83/260316783.db2.gz NWNOBEWRLOTQFH-JQWIXIFHSA-N 1 0 258.287 2.398 40 0 CEABRO CCSc1ncc(C[NH2+]CCCOC(C)C)cn1 ZINC000062717325 262299006 /nfs/dbraw/zinc/29/90/06/262299006.db2.gz QQHIJVROTVEKFT-UHFFFAOYSA-N 1 0 269.414 2.493 40 0 CEABRO Brc1ccc2c(c1)[C@]1(CC2)COCC[NH2+]1 ZINC000306145700 275372637 /nfs/dbraw/zinc/37/26/37/275372637.db2.gz OCEXFOIWNBQOFA-LBPRGKRZSA-N 1 0 268.154 2.210 40 0 CEABRO C[N@@H+]1CCC[C@@]2(C)[C@@H]1CCCN2C(=O)c1ccccn1 ZINC000257269818 277071007 /nfs/dbraw/zinc/07/10/07/277071007.db2.gz MRNFHBVRLGNJJM-HOCLYGCPSA-N 1 0 273.380 2.171 40 0 CEABRO CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000095836188 277186787 /nfs/dbraw/zinc/18/67/87/277186787.db2.gz OCTLOCGNRWISQP-RYUDHWBXSA-N 1 0 254.374 2.243 40 0 CEABRO CNC(=O)c1sc2nc([C@@H]3CCCC[NH2+]3)ccc2c1N ZINC000257309449 277262523 /nfs/dbraw/zinc/26/25/23/277262523.db2.gz UAZPVYVTKONSEA-VIFPVBQESA-N 1 0 290.392 2.053 40 0 CEABRO C[C@@H]1CN(c2ccc(N)cc2C(F)(F)F)C[C@H](C)[NH2+]1 ZINC000008701211 288261224 /nfs/dbraw/zinc/26/12/24/288261224.db2.gz DQQBCBCNYZFACE-DTORHVGOSA-N 1 0 273.302 2.474 40 0 CEABRO COc1ccc(CN2C[C@@H]3CCC[N@@H+]3C[C@H]2C)cc1 ZINC000019575112 295131723 /nfs/dbraw/zinc/13/17/23/295131723.db2.gz YIBMDJHUYQYHFA-HIFRSBDPSA-N 1 0 260.381 2.364 40 0 CEABRO C[NH2+]C[C@@H](OC(C)C)c1ccc(OC)c(OC)c1 ZINC000062711668 522036506 /nfs/dbraw/zinc/03/65/06/522036506.db2.gz OXHPZDGYEABFAI-CQSZACIVSA-N 1 0 253.342 2.389 40 0 CEABRO C[C@@H](O)c1ccc(-c2ccc(C[NH2+]CCO)o2)cc1 ZINC000007540820 533863643 /nfs/dbraw/zinc/86/36/43/533863643.db2.gz HDVUQKABCCYKEW-LLVKDONJSA-N 1 0 261.321 2.082 40 0 CEABRO C[NH2+]C[C@H](OC(C)C)c1ccc2c(c1)OCCO2 ZINC000062711673 522075755 /nfs/dbraw/zinc/07/57/55/522075755.db2.gz YSMUGLRICXQJMU-AWEZNQCLSA-N 1 0 251.326 2.143 40 0 CEABRO c1ccc(O[C@H]2CC[C@H]3[C@H]2OCC[N@H+]3C2CCC2)nc1 ZINC000097953767 230388501 /nfs/dbraw/zinc/38/85/01/230388501.db2.gz DUFATYHRRWZFKL-OFQRWUPVSA-N 1 0 274.364 2.245 40 0 CEABRO CN1C(=O)CCC[C@]12CCC[N@H+](Cc1ccoc1)C2 ZINC000096049952 185073915 /nfs/dbraw/zinc/07/39/15/185073915.db2.gz OCESUUAMAUJNIC-OAHLLOKOSA-N 1 0 262.353 2.257 40 0 CEABRO CC[C@@H]1[N@H+](CC2CC2)CCC[C@]12CCC(=O)N2C ZINC000096052432 185074814 /nfs/dbraw/zinc/07/48/14/185074814.db2.gz XOXFDYCQDPLBQY-ZFWWWQNUSA-N 1 0 250.386 2.262 40 0 CEABRO c1ccc(OC[C@@H]2C[C@H]3OCC[N@H+](CC4CC4)[C@H]3C2)nc1 ZINC000096055495 185076836 /nfs/dbraw/zinc/07/68/36/185076836.db2.gz NMVZUPDNUAFYQR-HRCADAONSA-N 1 0 288.391 2.350 40 0 CEABRO CCOC[C@@]12CCCO[C@@H]1CC[N@H+](Cc1cccnc1)C2 ZINC000096056807 185077990 /nfs/dbraw/zinc/07/79/90/185077990.db2.gz QGEMVTUHWNOLFE-SJORKVTESA-N 1 0 290.407 2.489 40 0 CEABRO COc1ncccc1C[N@@H+]1CCC[C@]2(C[C@H](C)CO2)C1 ZINC000096073321 185088078 /nfs/dbraw/zinc/08/80/78/185088078.db2.gz PZNARHRGJCPOAI-BBRMVZONSA-N 1 0 276.380 2.481 40 0 CEABRO CO[C@@H]1CO[C@]2(CC[N@H+](Cc3ccccc3F)C2)C1 ZINC000096072177 185088099 /nfs/dbraw/zinc/08/80/99/185088099.db2.gz CRADNAIOGBRIIJ-DZGCQCFKSA-N 1 0 265.328 2.206 40 0 CEABRO c1coc(C[N@H+]2C[C@@H]3COC[C@]3(COCC3CC3)C2)c1 ZINC000096108712 185099576 /nfs/dbraw/zinc/09/95/76/185099576.db2.gz KOELHJANHOXOHI-GDBMZVCRSA-N 1 0 277.364 2.155 40 0 CEABRO COc1ccc2c(c1)nc1n2[C@@H](C[NH2+]C(C)C)COC1 ZINC000096112680 185100994 /nfs/dbraw/zinc/10/09/94/185100994.db2.gz FJJSNCWGJFRMTR-NSHDSACASA-N 1 0 275.352 2.114 40 0 biogenic,in-vitro CEABRO C[C@H]([NH3+])C(=O)N(C)Cc1ccc(Cl)cc1Cl ZINC000037805006 361946065 /nfs/dbraw/zinc/94/60/65/361946065.db2.gz SYXPUPAUJPEOMY-ZETCQYMHSA-N 1 0 261.152 2.299 40 0 CEABRO Cc1cccc(CN(C(=O)[C@@H]([NH3+])C(C)C)C2CC2)c1 ZINC000037807752 361946583 /nfs/dbraw/zinc/94/65/83/361946583.db2.gz ANVJZDVPGKUSHE-HNNXBMFYSA-N 1 0 260.381 2.469 40 0 CEABRO c1ccc(C[NH+]2C[C@H]3CN(c4ncccn4)C[C@@H]3C2)cc1 ZINC000039348998 343435949 /nfs/dbraw/zinc/43/59/49/343435949.db2.gz JJRLPUYJOZKMFO-HOTGVXAUSA-N 1 0 280.375 2.045 40 0 CEABRO COc1ccc([C@@H](C[NH3+])N2CCC[C@H](C)C2)cc1OC ZINC000108349938 344264991 /nfs/dbraw/zinc/26/49/91/344264991.db2.gz KMKUYNUYBQBCBN-GXTWGEPZSA-N 1 0 278.396 2.436 40 0 CEABRO Cc1nnc2n1[C@H]1C[N@@H+](Cc3cccc(F)c3)C[C@H]1CC2 ZINC000019288362 282365745 /nfs/dbraw/zinc/36/57/45/282365745.db2.gz GMLMMRFTSGQNJI-HIFRSBDPSA-N 1 0 286.354 2.345 40 0 CEABRO Cc1cc(=O)oc2c(NC(=O)[C@@H]([NH3+])CC(C)C)cccc12 ZINC000584577846 344958906 /nfs/dbraw/zinc/95/89/06/344958906.db2.gz GGCPXDAJWFPGIK-LBPRGKRZSA-N 1 0 288.347 2.413 40 0 CEABRO CC[NH+](CC)C[C@H]1CCC2(CN(C(=O)C3CCC3)C2)OC1 ZINC000575403528 344950159 /nfs/dbraw/zinc/95/01/59/344950159.db2.gz MNZSPODFZNFVQH-CQSZACIVSA-N 1 0 294.439 2.136 40 0 CEABRO CCCCC(=O)N1CC2(C1)CC[C@@H](C[NH+]1CCCC1)CO2 ZINC000575406384 344950246 /nfs/dbraw/zinc/95/02/46/344950246.db2.gz OEUIVBGINKIPKO-HNNXBMFYSA-N 1 0 294.439 2.280 40 0 CEABRO C[Si]1(C)C[NH2+][C@H](CNC(=O)OCc2ccccc2)C1 ZINC000584905805 345005125 /nfs/dbraw/zinc/00/51/25/345005125.db2.gz AXKZYGIBKFDIID-CYBMUJFWSA-N 1 0 278.428 2.132 40 0 CEABRO Cc1noc(C)c1C(=O)N1CCC[C@]2(CCC[N@H+]2C)CC1 ZINC000585110397 345005984 /nfs/dbraw/zinc/00/59/84/345005984.db2.gz PDXIHOOKFIOWRW-MRXNPFEDSA-N 1 0 291.395 2.382 40 0 CEABRO Cc1cc(N2CC[NH2+]CC2)nc(-c2ccc(F)cc2)n1 ZINC000058047076 362605787 /nfs/dbraw/zinc/60/57/87/362605787.db2.gz WVJLEWZUCCIGSK-UHFFFAOYSA-N 1 0 272.327 2.001 40 0 CEABRO C[C@@H]1CN(C(=O)c2ccc(Cl)cc2Cl)CC[NH2+]1 ZINC000062666704 362721186 /nfs/dbraw/zinc/72/11/86/362721186.db2.gz GHDMKBVOMMNOMM-MRVPVSSYSA-N 1 0 273.163 2.427 40 0 CEABRO C[C@@H]([NH2+][C@H]1CC[C@H](O)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000104350936 185978609 /nfs/dbraw/zinc/97/86/09/185978609.db2.gz VQVMYHRQSXIYNR-BNOWGMLFSA-N 1 0 297.420 2.044 40 0 CEABRO Cc1ccc(C[N@@H+]2C[C@@H]3[C@H](CC(=O)NC(C)C)[C@@H]3C2)o1 ZINC000107745863 186189123 /nfs/dbraw/zinc/18/91/23/186189123.db2.gz FUMGOZUSSWVVSF-QDMKHBRRSA-N 1 0 276.380 2.181 40 0 CEABRO COc1cccc([C@H](CO)[NH+]2CCCCC2)c1OC ZINC000070453276 363085230 /nfs/dbraw/zinc/08/52/30/363085230.db2.gz RCPQXRLOFBANGQ-ZDUSSCGKSA-N 1 0 265.353 2.223 40 0 CEABRO CNc1cccc([C@H]2CCC[N@@H+]2C2CCOCC2)n1 ZINC000072364351 363130783 /nfs/dbraw/zinc/13/07/83/363130783.db2.gz HCJXIIZDKDOSPO-CQSZACIVSA-N 1 0 261.369 2.439 40 0 CEABRO CCOC(=O)c1ccccc1NC(=O)[C@H]1CCC[N@H+](C)C1 ZINC000073381388 363214610 /nfs/dbraw/zinc/21/46/10/363214610.db2.gz RZDPTCZYEIQELI-LBPRGKRZSA-N 1 0 290.363 2.144 40 0 CEABRO C[NH+]1CCC(C(=O)NCc2ccc(Cl)cc2)CC1 ZINC000074707327 363373867 /nfs/dbraw/zinc/37/38/67/363373867.db2.gz DNQZFLPCVNCERO-UHFFFAOYSA-N 1 0 266.772 2.298 40 0 CEABRO CNc1nc(NCc2ccccc2C)cc(C2CC2)[nH+]1 ZINC000328955916 202129495 /nfs/dbraw/zinc/12/94/95/202129495.db2.gz ADXNWDMTTBMFAG-UHFFFAOYSA-N 1 0 268.364 2.160 40 0 CEABRO C[NH2+][C@H]1CCCC[C@@H]1NC(=O)OCc1ccccc1 ZINC000079437138 363599991 /nfs/dbraw/zinc/59/99/91/363599991.db2.gz ZBBFTRDSLJSSGF-KBPBESRZSA-N 1 0 262.353 2.443 40 0 CEABRO CCCN1CO[C@@H](OCC[NH+](CC)CC)C(C)(C)C1 ZINC000031761367 283353315 /nfs/dbraw/zinc/35/33/15/283353315.db2.gz BINFPLCQRWUIRA-CQSZACIVSA-N 1 0 272.433 2.397 40 0 CEABRO CC1CC[NH+](C[C@H](O)COc2ccc(F)cc2)CC1 ZINC000000249885 361152235 /nfs/dbraw/zinc/15/22/35/361152235.db2.gz IBDZWWPLDGLSNK-AWEZNQCLSA-N 1 0 267.344 2.297 40 0 CEABRO CC(=O)O[C@H]1CC[N@@H+](Cc2ccco2)[C@H](C)[C@@H]1C ZINC000001080750 361198839 /nfs/dbraw/zinc/19/88/39/361198839.db2.gz HAVUOHMCCLLASZ-WDMOLILDSA-N 1 0 251.326 2.442 40 0 CEABRO [NH3+][C@@H](Cc1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2 ZINC000001634053 361212688 /nfs/dbraw/zinc/21/26/88/361212688.db2.gz URJXLWUNHQDURA-LBPRGKRZSA-N 1 0 285.299 2.387 40 0 CEABRO COc1cc(OC)cc([C@@H](O)[C@@H](C)[NH2+]C(C)C)c1 ZINC000001678260 361215822 /nfs/dbraw/zinc/21/58/22/361215822.db2.gz CMSDSKGZGXRVGT-YGRLFVJLSA-N 1 0 253.342 2.124 40 0 CEABRO C[C@H](NP1(=O)OCC(C)([NH3+])CO1)c1ccccc1 ZINC000001674401 361216353 /nfs/dbraw/zinc/21/63/53/361216353.db2.gz OIOBNAGUDAQZSB-LRWYKZPYSA-N 1 0 270.269 2.210 40 0 CEABRO CC(=CNNc1nc(C)cc(C)[nH+]1)c1ccccn1 ZINC000003136244 361264578 /nfs/dbraw/zinc/26/45/78/361264578.db2.gz ACGPAZSUHYUDQA-MDZDMXLPSA-N 1 0 255.325 2.466 40 0 CEABRO Cc1cc(C)c(C)c(OC[C@@H](O)C[NH+]2CCCC2)c1 ZINC000004305202 361310332 /nfs/dbraw/zinc/31/03/32/361310332.db2.gz PDYOCIYKIBZJCO-HNNXBMFYSA-N 1 0 263.381 2.447 40 0 CEABRO COCCCNC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000010331280 361350062 /nfs/dbraw/zinc/35/00/62/361350062.db2.gz GGXCCMKHUQVQGM-UHFFFAOYSA-N 1 0 276.380 2.049 40 0 CEABRO [NH3+]CCc1csc2nc(-c3ccc(F)cc3)nn12 ZINC000011585500 361359230 /nfs/dbraw/zinc/35/92/30/361359230.db2.gz LJWHHQCOKGBJJZ-UHFFFAOYSA-N 1 0 262.313 2.098 40 0 CEABRO Cc1[nH]c2c(cccc2C)c1CC(=O)N(C)CC[NH+](C)C ZINC000012345986 361378934 /nfs/dbraw/zinc/37/89/34/361378934.db2.gz BBCAGUGITWXEBE-UHFFFAOYSA-N 1 0 287.407 2.347 40 0 CEABRO O=C([C@H]1CCC[NH2+]1)N1CC=C(c2ccc(F)cc2)CC1 ZINC000013568992 361432247 /nfs/dbraw/zinc/43/22/47/361432247.db2.gz FBYDADGCBWQPNO-OAHLLOKOSA-N 1 0 274.339 2.193 40 0 CEABRO C[C@H](Oc1ccccc1Cl)C(=O)NCCC[NH+](C)C ZINC000013710089 361438165 /nfs/dbraw/zinc/43/81/65/361438165.db2.gz CVHLGBWWPWKWDE-NSHDSACASA-N 1 0 284.787 2.175 40 0 CEABRO COc1cc(OC)cc([C@H](C[NH3+])N2CCCCC2)c1 ZINC000019840937 361561042 /nfs/dbraw/zinc/56/10/42/361561042.db2.gz FXTOQZJJOJZYFO-HNNXBMFYSA-N 1 0 264.369 2.190 40 0 CEABRO CCCn1ncc(C(=O)N2CCCC[C@H]2C[NH+](C)C)c1C ZINC000019525877 361542139 /nfs/dbraw/zinc/54/21/39/361542139.db2.gz PNTZVDQRMKRXIQ-AWEZNQCLSA-N 1 0 292.427 2.158 40 0 CEABRO Cn1cnc2ccc(NC(=O)C[C@@H]3CCCC[N@@H+]3C)cc21 ZINC000019655675 361547142 /nfs/dbraw/zinc/54/71/42/361547142.db2.gz BCYSBVBWIULBDZ-ZDUSSCGKSA-N 1 0 286.379 2.386 40 0 CEABRO CCCC[NH2+]CCC1(CCC(C)C)C(=O)NC(=O)NC1=O ZINC000031659350 361715865 /nfs/dbraw/zinc/71/58/65/361715865.db2.gz RMVKRKGMABDULX-UHFFFAOYSA-N 1 0 297.399 2.395 40 0 CEABRO CCc1ccc(C[NH+]2CCC3(CN(C)C3=O)CC2)cc1 ZINC000096202812 364410159 /nfs/dbraw/zinc/41/01/59/364410159.db2.gz KBYLOOBGMXWENO-UHFFFAOYSA-N 1 0 272.392 2.303 40 0 CEABRO c1coc(CN2CC3(C2)CC[N@H+](Cc2cccnc2)C3)c1 ZINC000096202506 364411539 /nfs/dbraw/zinc/41/15/39/364411539.db2.gz JGBXYLPGBQJCEK-UHFFFAOYSA-N 1 0 283.375 2.383 40 0 CEABRO CCC[N@@H+]1CC[C@@]2(C1)CCCN(c1ccc(C)nn1)C2 ZINC000096217089 364411959 /nfs/dbraw/zinc/41/19/59/364411959.db2.gz USTDXZPJMGVJAQ-MRXNPFEDSA-N 1 0 274.412 2.487 40 0 CEABRO C[N@@H+]1CCCC[C@]12CCCN(C(=O)c1ccccn1)C2 ZINC000096217580 364413424 /nfs/dbraw/zinc/41/34/24/364413424.db2.gz GZCSOBHEVYZEIE-MRXNPFEDSA-N 1 0 273.380 2.172 40 0 CEABRO CC(C)(C)OC(=O)N[C@H](C[NH3+])CCc1ccccc1 ZINC000096295479 364420565 /nfs/dbraw/zinc/42/05/65/364420565.db2.gz WDFKZPGWMRLIHG-ZDUSSCGKSA-N 1 0 264.369 2.471 40 0 CEABRO O[C@H](COc1ccccc1)C[N@@H+]1CC[C@H]2C=CC=C[C@@H]2C1 ZINC000103529751 364663896 /nfs/dbraw/zinc/66/38/96/364663896.db2.gz HSIIBDBKJDPQQR-ZACQAIPSSA-N 1 0 285.387 2.490 40 0 CEABRO C[C@@H]1c2ncc(CCOCc3ccncc3)n2CC[N@H+]1C ZINC000585097774 367178115 /nfs/dbraw/zinc/17/81/15/367178115.db2.gz OLDHWSARQUNESW-CYBMUJFWSA-N 1 0 286.379 2.044 40 0 CEABRO CCOC[C@@H]1CC[N@H+](C)C2(CN(Cc3ccco3)C2)C1 ZINC000585103115 367178645 /nfs/dbraw/zinc/17/86/45/367178645.db2.gz QNPDRIOKRMWICX-CQSZACIVSA-N 1 0 278.396 2.212 40 0 CEABRO COc1ccc(OC)c(N[C@@H]2CCCC[C@H]2[NH3+])c1 ZINC000218863426 370214088 /nfs/dbraw/zinc/21/40/88/370214088.db2.gz BKLNFQIKBLLQLC-VXGBXAGGSA-N 1 0 250.342 2.386 40 0 CEABRO [NH3+]C[C@H]1[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218038033 370204111 /nfs/dbraw/zinc/20/41/11/370204111.db2.gz KXEHYTCGVACPOM-HRCADAONSA-N 1 0 287.384 2.201 40 0 CEABRO COC[C@@H]1CC[N@H+](C)C2(CN(Cc3ccccc3F)C2)C1 ZINC000248155564 371165683 /nfs/dbraw/zinc/16/56/83/371165683.db2.gz VPHZRGLTQKMQEK-CQSZACIVSA-N 1 0 292.398 2.368 40 0 CEABRO C[N@@H+]1C[C@@H]2CN(Cc3ccc(F)cc3)CCN2C(C)(C)C1 ZINC000253409242 371516731 /nfs/dbraw/zinc/51/67/31/371516731.db2.gz ZVAQHYWVVSQAJL-MRXNPFEDSA-N 1 0 291.414 2.036 40 0 biogenic,in-vitro CEABRO OC1(C[N@@H+]2CCC[C@@H]2c2cnccn2)CCCCC1 ZINC000257299420 371609622 /nfs/dbraw/zinc/60/96/22/371609622.db2.gz RPZXYGIIZGFEHF-CQSZACIVSA-N 1 0 261.369 2.309 40 0 CEABRO Cc1nc([C@H]2CCC[NH2+]C2)nc2c1CCCN2CC1CC1 ZINC000257296233 371611062 /nfs/dbraw/zinc/61/10/62/371611062.db2.gz RBVRZHYLHGBLPK-AWEZNQCLSA-N 1 0 286.423 2.415 40 0 CEABRO C[C@H]1COC2(CCN(C(=O)OC(C)(C)C)CC2)CC[NH2+]1 ZINC000409429613 375523763 /nfs/dbraw/zinc/52/37/63/375523763.db2.gz CXJNADZQBSTXGR-LBPRGKRZSA-N 1 0 284.400 2.155 40 0 CEABRO CC[NH+](CC)CCCNCc1cnn(CC(F)F)c1C ZINC000256050045 190003228 /nfs/dbraw/zinc/00/32/28/190003228.db2.gz CKWVVGYMDSYMHE-UHFFFAOYSA-N 1 0 288.386 2.278 40 0 CEABRO CC[NH+](CC)CCCNCc1ccnn1C(C)C ZINC000256051870 190003878 /nfs/dbraw/zinc/00/38/78/190003878.db2.gz KUWVGCIVPKFHKE-UHFFFAOYSA-N 1 0 252.406 2.286 40 0 CEABRO CCCn1nc(C)cc1CNCC[NH+](CC)CC ZINC000256052697 190004141 /nfs/dbraw/zinc/00/41/41/190004141.db2.gz OIBMDIPFTBSXPJ-UHFFFAOYSA-N 1 0 252.406 2.033 40 0 CEABRO Cc1cn(-c2ccnc([C@@H]3CCC[NH2+]C3)c2)c(C)n1 ZINC000257205595 190011784 /nfs/dbraw/zinc/01/17/84/190011784.db2.gz AZUBXXQNRMKMAP-CYBMUJFWSA-N 1 0 256.353 2.351 40 0 CEABRO c1cc([C@@H]2CCC[N@@H+](CC3CCOCC3)C2)ncn1 ZINC000257211349 190011914 /nfs/dbraw/zinc/01/19/14/190011914.db2.gz BYNVBAGQDWKFSX-CQSZACIVSA-N 1 0 261.369 2.083 40 0 CEABRO COCC[N@H+]1C[C@@H]2[C@@H](Cc3cccnc3)CC[C@@H]2C1 ZINC000257219907 190013770 /nfs/dbraw/zinc/01/37/70/190013770.db2.gz DITNBGWQGFBYRM-BZUAXINKSA-N 1 0 260.381 2.229 40 0 CEABRO CCCn1cc(-c2nccnc2C2CC[NH2+]CC2)cn1 ZINC000257234768 190016719 /nfs/dbraw/zinc/01/67/19/190016719.db2.gz GUZXRQJKTBGSJA-UHFFFAOYSA-N 1 0 271.368 2.217 40 0 CEABRO CC(C)[NH+]1CCC(c2cnc(-c3cn[nH]c3)cn2)CC1 ZINC000257232141 190016799 /nfs/dbraw/zinc/01/67/99/190016799.db2.gz GJOVDGGVCQBWDN-UHFFFAOYSA-N 1 0 271.368 2.455 40 0 CEABRO CC(C)n1nccc1-c1cnc(C[C@@H]2CC[NH2+]C2)cn1 ZINC000257220403 190015067 /nfs/dbraw/zinc/01/50/67/190015067.db2.gz DKRYGHQMVNZDCM-LBPRGKRZSA-N 1 0 271.368 2.073 40 0 CEABRO CC(C)n1nccc1-c1cncc(C[C@@H]2CC[NH2+]C2)n1 ZINC000257240994 190018768 /nfs/dbraw/zinc/01/87/68/190018768.db2.gz HWDYZKOKXORNQV-LBPRGKRZSA-N 1 0 271.368 2.073 40 0 CEABRO Nc1ccc(-c2ccc(C[C@@H]3CCC[NH2+]CC3)nn2)cn1 ZINC000257264211 190023165 /nfs/dbraw/zinc/02/31/65/190023165.db2.gz LTJODRZPOZMVJW-GFCCVEGCSA-N 1 0 283.379 2.053 40 0 CEABRO [NH3+]C1(C(=O)N2CCC(Cc3ccncc3)CC2)CCCC1 ZINC000257253871 190021232 /nfs/dbraw/zinc/02/12/32/190021232.db2.gz KAPIDLULGLWSDN-UHFFFAOYSA-N 1 0 287.407 2.134 40 0 CEABRO CCn1nccc1-c1cncc([C@H]2CCC[N@H+](C)C2)n1 ZINC000257262923 190022007 /nfs/dbraw/zinc/02/20/07/190022007.db2.gz LNQOMPKHBKSNLT-LBPRGKRZSA-N 1 0 271.368 2.169 40 0 CEABRO CC(C)[NH+]1CCC(c2cnc(-c3nccn3C)cn2)CC1 ZINC000257260203 190022267 /nfs/dbraw/zinc/02/22/67/190022267.db2.gz LBTVWRKTCJHKQM-UHFFFAOYSA-N 1 0 285.395 2.465 40 0 CEABRO CC(C)[N@@H+]1CCC[C@H](c2cncc(-c3cnn(C)c3)n2)C1 ZINC000257277983 190025841 /nfs/dbraw/zinc/02/58/41/190025841.db2.gz OAGLMZYWOKFKPP-ZDUSSCGKSA-N 1 0 285.395 2.465 40 0 CEABRO CC(C)[N@@H+]1CCC[C@H]1c1cncc(-c2cc[nH]n2)n1 ZINC000257283228 190026300 /nfs/dbraw/zinc/02/63/00/190026300.db2.gz OXIPUSVYXFTSKQ-AWEZNQCLSA-N 1 0 257.341 2.412 40 0 CEABRO CC(C)C[N@@H+]1CC[C@H](Cc2cncc(-c3nccn3C)n2)C1 ZINC000257275662 190024606 /nfs/dbraw/zinc/02/46/06/190024606.db2.gz NQHUAVDCOMMHBE-CQSZACIVSA-N 1 0 299.422 2.398 40 0 CEABRO CNc1cc([C@@H]2CCC[N@H+](Cc3cnc[nH]3)C2)ccn1 ZINC000257306600 190031432 /nfs/dbraw/zinc/03/14/32/190031432.db2.gz SUZQPSZYLGEKGB-CYBMUJFWSA-N 1 0 271.368 2.226 40 0 CEABRO c1ccc(Nc2cncc(C3CC[NH2+]CC3)n2)nc1 ZINC000257303412 190030150 /nfs/dbraw/zinc/03/01/50/190030150.db2.gz SHDLSMTXEKTJFE-UHFFFAOYSA-N 1 0 255.325 2.082 40 0 CEABRO C[N@@H+]1CCC[C@@H](c2cncc(-c3cccc(C(N)=O)c3)n2)C1 ZINC000257307188 190031172 /nfs/dbraw/zinc/03/11/72/190031172.db2.gz SXOIDNAWVLXMKJ-CQSZACIVSA-N 1 0 296.374 2.052 40 0 CEABRO COc1ccc(C[C@@H]2C[N@@H+](C3CCOCC3)CCO2)cc1 ZINC000257311310 190031950 /nfs/dbraw/zinc/03/19/50/190031950.db2.gz UIVXUIDZOJVULO-QGZVFWFLSA-N 1 0 291.391 2.118 40 0 CEABRO O=C1CCC[C@@H]2[NH2+]CC[C@@H]2N1Cc1ccc(F)cc1 ZINC000257334654 190036157 /nfs/dbraw/zinc/03/61/57/190036157.db2.gz YGVXONYBJZBAOL-KBPBESRZSA-N 1 0 262.328 2.069 40 0 CEABRO CC(C)[N@@H+]1CCC[C@H](c2cncc(-c3ncc[nH]3)n2)C1 ZINC000257335821 190036357 /nfs/dbraw/zinc/03/63/57/190036357.db2.gz YMAMGRZGKSKAKW-LBPRGKRZSA-N 1 0 271.368 2.455 40 0 CEABRO C[C@H]1CC[NH2+]CC[C@H]1NC(=O)OCc1ccccc1 ZINC000261507375 190040079 /nfs/dbraw/zinc/04/00/79/190040079.db2.gz HWLRDBIWEWMSFI-GXTWGEPZSA-N 1 0 262.353 2.301 40 0 CEABRO C[C@H]1CC[C@@H](CNC(=O)OCc2ccccc2)[NH2+]C1 ZINC000261508825 190040743 /nfs/dbraw/zinc/04/07/43/190040743.db2.gz XLEVDWOUHGBDKF-JSGCOSHPSA-N 1 0 262.353 2.301 40 0 CEABRO O=c1ccc(-c2cccs2)c2n1C[C@@H]1C[NH2+]C[C@H]2C1 ZINC000005437687 285220583 /nfs/dbraw/zinc/22/05/83/285220583.db2.gz XSEHVHDBJGYDGF-WDEREUQCSA-N 1 0 272.373 2.284 40 0 biogenic,in-vitro CEABRO Cc1noc(C[C@]23COC[C@H]2C[N@H+](CC2CCCC2)C3)n1 ZINC000096217734 256825963 /nfs/dbraw/zinc/82/59/63/256825963.db2.gz FGJSBKCWTGCAMR-ZBFHGGJFSA-N 1 0 291.395 2.059 40 0 CEABRO CNC(=O)N[C@H]1CC2(CC[NH+](C)CC2)c2ccc(C)cc21 ZINC000096241798 256831432 /nfs/dbraw/zinc/83/14/32/256831432.db2.gz HQWYOOXFESPZPJ-HNNXBMFYSA-N 1 0 287.407 2.332 40 0 CEABRO C[C@H]([NH3+])Cc1c2c(c(Br)c3c1OCC3)OCC2 ZINC000013757085 394465098 /nfs/dbraw/zinc/46/50/98/394465098.db2.gz FKRREVSELFOLDT-ZETCQYMHSA-N 1 0 298.180 2.209 40 0 in-vitro CEABRO CN(C)C(=O)C[C@@H](c1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000072208347 394592439 /nfs/dbraw/zinc/59/24/39/394592439.db2.gz RLXNSCWXNSUTFX-CABCVRRESA-N 1 0 260.381 2.248 40 0 CEABRO CNc1nc(N2Cc3ccccc3C[C@H]2C)cc(C)[nH+]1 ZINC000328963857 394558094 /nfs/dbraw/zinc/55/80/94/394558094.db2.gz BRZSEXORZUCIHA-GFCCVEGCSA-N 1 0 268.364 2.200 40 0 CEABRO CC(C)[N@@H+]1CCC[C@@H]1c1cnc(-c2cc[nH]n2)cn1 ZINC000257234371 394595529 /nfs/dbraw/zinc/59/55/29/394595529.db2.gz GTFQWLQYKSORQY-CQSZACIVSA-N 1 0 257.341 2.412 40 0 CEABRO C1=C[C@H]2C[C@@H]1C[C@H]2C[NH+]1CCN(Cc2ccccn2)CC1 ZINC000019831744 400105555 /nfs/dbraw/zinc/10/55/55/400105555.db2.gz YTCPQGGPLXYDOA-IKGGRYGDSA-N 1 0 283.419 2.411 40 0 CEABRO CC[C@@H](C)[NH+]1CCC(N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000004744534 170010511 /nfs/dbraw/zinc/01/05/11/170010511.db2.gz ZIGZSNQDEOYGCI-MGPQQGTHSA-N 1 0 254.418 2.359 40 0 CEABRO C/C=C/[C@@](O)(C(=O)O[C@@H]1C[NH+]2CCC1CC2)C1CCCC1 ZINC000005566357 170114375 /nfs/dbraw/zinc/11/43/75/170114375.db2.gz KFIKGORTYFCONO-RIGKITEYSA-N 1 0 293.407 2.121 40 0 CEABRO COc1ccc(/C(Cl)=C/C=[N+]2CCOCC2)cc1 ZINC000005916640 170154922 /nfs/dbraw/zinc/15/49/22/170154922.db2.gz UOIFXVVLJOSMKI-NSIKDUERSA-N 1 0 266.748 2.388 40 0 CEABRO CC1CC[NH+](C[C@@H](O)COc2ccccc2F)CC1 ZINC000006395798 170197941 /nfs/dbraw/zinc/19/79/41/170197941.db2.gz LLXJZHFRDRNTAG-CYBMUJFWSA-N 1 0 267.344 2.297 40 0 CEABRO C[N@@H+]1CCC[C@@H](CNC(=S)Nc2ccc(F)cc2)C1 ZINC000009876298 170388531 /nfs/dbraw/zinc/38/85/31/170388531.db2.gz DCZCCACBTACIPT-NSHDSACASA-N 1 0 281.400 2.454 40 0 CEABRO CCn1nccc1C[NH2+]Cc1cc(F)cc(F)c1 ZINC000020349297 171155115 /nfs/dbraw/zinc/15/51/15/171155115.db2.gz PJJRTFGXPJSGFG-UHFFFAOYSA-N 1 0 251.280 2.471 40 0 CEABRO C[C@@H]([NH3+])Cc1ccccc1I ZINC000039624419 174170750 /nfs/dbraw/zinc/17/07/50/174170750.db2.gz WSTDXRKNIDTRHW-SSDOTTSWSA-N 1 0 261.106 2.181 40 0 in-vitro CEABRO Cc1ccc(CC(=O)NCCC[NH+]2CCCC2)cc1 ZINC000044841216 175263651 /nfs/dbraw/zinc/26/36/51/175263651.db2.gz LDDKHUHITDSIOJ-UHFFFAOYSA-N 1 0 260.381 2.140 40 0 CEABRO CNc1cccc([C@H]2CCC[N@H+](Cc3cnn(C)c3)C2)n1 ZINC000072364261 176379059 /nfs/dbraw/zinc/37/90/59/176379059.db2.gz QIYLVHNOCCOPRD-AWEZNQCLSA-N 1 0 285.395 2.236 40 0 CEABRO C[NH+]1CCC(c2cccc(NCCc3cnccn3)n2)CC1 ZINC000072365352 176380391 /nfs/dbraw/zinc/38/03/91/176380391.db2.gz LNNCFTHXZREWHG-UHFFFAOYSA-N 1 0 297.406 2.335 40 0 CEABRO Cc1ccsc1C[N@@H+]1CCc2c(nc(C)[nH]c2=O)C1 ZINC000072373673 176385312 /nfs/dbraw/zinc/38/53/12/176385312.db2.gz HBPREOSLYLVJHD-UHFFFAOYSA-N 1 0 275.377 2.419 40 0 CEABRO Cc1cncc([C@H]2CCC[N@@H+](C3CCOCC3)C2)n1 ZINC000072385941 176391273 /nfs/dbraw/zinc/39/12/73/176391273.db2.gz IXRXFQLOFAIQGV-ZDUSSCGKSA-N 1 0 261.369 2.143 40 0 CEABRO CNc1ncccc1C[N@@H+]1CC[C@H](c2n[nH]cc2C)C1 ZINC000072386199 176391571 /nfs/dbraw/zinc/39/15/71/176391571.db2.gz MIUCRBHEBFJAMB-LBPRGKRZSA-N 1 0 271.368 2.144 40 0 CEABRO Cc1nc([C@@H]2C[NH2+]CCO2)cc(N(C)Cc2ccccc2)n1 ZINC000072387871 176393496 /nfs/dbraw/zinc/39/34/96/176393496.db2.gz HNOUBEHNYCQLEG-INIZCTEOSA-N 1 0 298.390 2.082 40 0 CEABRO [NH3+]CCN(Cc1ccccc1Br)C1CC1 ZINC000076706114 177065707 /nfs/dbraw/zinc/06/57/07/177065707.db2.gz XRRUQRFGMVUOQK-UHFFFAOYSA-N 1 0 269.186 2.372 40 0 CEABRO CN(C)C(=O)C[C@@H]1CC2(CC[NH2+]CC2)c2cc(F)ccc21 ZINC000096241827 265345766 /nfs/dbraw/zinc/34/57/66/265345766.db2.gz PIAVSQBBFSWSEV-GFCCVEGCSA-N 1 0 290.382 2.413 40 0 CEABRO O=C1N(CC2CC2)[C@@H](c2ccccc2)C12CC[NH2+]CC2 ZINC000096244751 265345797 /nfs/dbraw/zinc/34/57/97/265345797.db2.gz JHZYOMJQDBSDGU-HNNXBMFYSA-N 1 0 270.376 2.350 40 0 CEABRO CC[NH+]1CCN(c2ccc(N)cc2C(F)(F)F)CC1 ZINC000008701203 273666695 /nfs/dbraw/zinc/66/66/95/273666695.db2.gz FWFXNYZPDAXEJT-UHFFFAOYSA-N 1 0 273.302 2.430 40 0 CEABRO Cn1c2ccccc2c2c1C(=O)[C@H](C[NH+](C)C)CC2 ZINC000004823567 273798829 /nfs/dbraw/zinc/79/88/29/273798829.db2.gz KVCJCBRUPJFTTJ-NSHDSACASA-N 1 0 256.349 2.485 40 0 CEABRO CC(C)(C)OC(=O)N1CC[NH2+]C[C@@H](C(F)(F)F)C1 ZINC000091303680 277189084 /nfs/dbraw/zinc/18/90/84/277189084.db2.gz CWQGBNGEHCBHCG-MRVPVSSYSA-N 1 0 268.279 2.005 40 0 CEABRO CC(C)(C)OC(=O)N1CCC[C@@H]1CSCC[NH3+] ZINC000079392220 277184424 /nfs/dbraw/zinc/18/44/24/277184424.db2.gz FZJPJOMQCMHTTO-SNVBAGLBSA-N 1 0 260.403 2.078 40 0 CEABRO CC(C)CN1c2ccccc2C[C@@]2(CC[NH2+]C2)C1=O ZINC000096157386 277417236 /nfs/dbraw/zinc/41/72/36/277417236.db2.gz NXOWAHKSPJTGPA-MRXNPFEDSA-N 1 0 258.365 2.211 40 0 CEABRO O=C1CC[C@]2(c3ccccc3)[NH2+][C@H]3CCCC[C@H]3N12 ZINC000059605612 304636635 /nfs/dbraw/zinc/63/66/35/304636635.db2.gz QSDUYCSKFAKVPE-LZWOXQAQSA-N 1 0 256.349 2.376 40 0 CEABRO COc1ccc(OC)c(N2CC[NH2+][C@@H]3CCC[C@H]32)c1 ZINC000218846279 333137211 /nfs/dbraw/zinc/13/72/11/333137211.db2.gz AVNOMXBVIMRIKL-CHWSQXEVSA-N 1 0 262.353 2.035 40 0 CEABRO O=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc2c(c1)OCO2 ZINC000061675084 527035183 /nfs/dbraw/zinc/03/51/83/527035183.db2.gz VAZCAZWEXNXLAP-TXEJJXNPSA-N 1 0 259.305 2.111 40 0 CEABRO CC(C)[N@H+](C1CCCCC1)[C@H]1CNCC[C@@]1(C)O ZINC000685936218 567104956 /nfs/dbraw/zinc/10/49/56/567104956.db2.gz KQGQPKSUPVGZKW-LSDHHAIUSA-N 1 0 254.418 2.142 40 0 CEABRO COC[C@]12CCCO[C@@H]1CC[N@H+](Cc1ccoc1)C2 ZINC000096038971 185069392 /nfs/dbraw/zinc/06/93/92/185069392.db2.gz RPAIPOFUMNRCFZ-HUUCEWRRSA-N 1 0 265.353 2.297 40 0 CEABRO c1cc(CO[C@@H]2CC[C@H]3[C@H]2OCC[N@@H+]3C2CCC2)ccn1 ZINC000096041805 185070245 /nfs/dbraw/zinc/07/02/45/185070245.db2.gz RTKOZBZAMRUDDN-GVDBMIGSSA-N 1 0 288.391 2.383 40 0 CEABRO O=C1CCC2(CC[NH+](CC3CC3)CC2)N1Cc1ccncc1 ZINC000096049408 185072330 /nfs/dbraw/zinc/07/23/30/185072330.db2.gz JELRPOGRFJPOIK-UHFFFAOYSA-N 1 0 299.418 2.449 40 0 CEABRO O=C(c1cccnc1)N1CCC[C@@]2(CC[N@H+](CC3CC3)C2)C1 ZINC000096047062 185072351 /nfs/dbraw/zinc/07/23/51/185072351.db2.gz NXJFTFCNSBHZHN-SFHVURJKSA-N 1 0 299.418 2.420 40 0 CEABRO Cc1ccc(C[NH+]2CCC3(CC2)COCCN3C)s1 ZINC000096048903 185072632 /nfs/dbraw/zinc/07/26/32/185072632.db2.gz SRZLTDGTSRDUMW-UHFFFAOYSA-N 1 0 280.437 2.353 40 0 CEABRO CCN1C(=O)CC[C@]12CCC[N@H+](CC1CC1)CC2 ZINC000096047509 185073135 /nfs/dbraw/zinc/07/31/35/185073135.db2.gz XSKIZTLWHDLUKM-HNNXBMFYSA-N 1 0 250.386 2.263 40 0 CEABRO O=C1[C@H]2C[N@H+](Cc3cccnc3)C[C@H]2CN1c1ccsc1 ZINC000096053688 185074949 /nfs/dbraw/zinc/07/49/49/185074949.db2.gz FGZLFJWCIIIVQQ-ZFWWWQNUSA-N 1 0 299.399 2.238 40 0 CEABRO O[C@@H]1CC[N@H+](Cc2nccs2)[C@H]1Cc1ccccc1 ZINC000096061557 185082781 /nfs/dbraw/zinc/08/27/81/185082781.db2.gz OWFIDTXUAKETSG-UONOGXRCSA-N 1 0 274.389 2.321 40 0 CEABRO CCN1C(=O)CC[C@]12CCC[N@H+](Cc1ccncc1)CC2 ZINC000096071917 185087333 /nfs/dbraw/zinc/08/73/33/185087333.db2.gz BCPMJYLFIDKZIJ-KRWDZBQOSA-N 1 0 287.407 2.449 40 0 CEABRO C(O[C@H]1COC2(C1)CC[NH+](CC1CC1)CC2)C1CC1 ZINC000096073093 185088247 /nfs/dbraw/zinc/08/82/47/185088247.db2.gz NTYQTTOXIKQNMG-OAHLLOKOSA-N 1 0 265.397 2.447 40 0 CEABRO COc1ccc(OC)c([C@H](C[NH3+])N2CCC[C@H](C)C2)c1 ZINC000036100764 361828187 /nfs/dbraw/zinc/82/81/87/361828187.db2.gz AXSOXHXUGNIETM-WFASDCNBSA-N 1 0 278.396 2.436 40 0 CEABRO Oc1ccc(-c2nc3cc(N4CC[NH2+]CC4)ccc3[nH]2)cc1 ZINC000045206854 362160295 /nfs/dbraw/zinc/16/02/95/362160295.db2.gz ZSDZPOMFIUCIJA-UHFFFAOYSA-N 1 0 294.358 2.345 40 0 CEABRO Cc1nc(N2Cc3ccccc3C[C@H]2C)cc(NCCO)[nH+]1 ZINC000329042608 136377693 /nfs/dbraw/zinc/37/76/93/136377693.db2.gz SOYBEKZQZPRYHW-GFCCVEGCSA-N 1 0 298.390 2.140 40 0 CEABRO [NH3+]CCSC1=c2ccccc2=N[C@H]1c1ccc(F)cc1 ZINC000063668934 343681002 /nfs/dbraw/zinc/68/10/02/343681002.db2.gz KHXFBFZSXFWMRL-HNNXBMFYSA-N 1 0 286.375 2.000 40 0 CEABRO CC(C)(C)OC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCC[C@@H]1[NH3+] ZINC000409438916 344889472 /nfs/dbraw/zinc/88/94/72/344889472.db2.gz DZRHNLUFYDTBDN-RWMBFGLXSA-N 1 0 284.400 2.282 40 0 CEABRO CC[NH+](CC)C[C@H]1CN(C(=O)CC(C)C)Cc2ccnn21 ZINC000575402822 344950077 /nfs/dbraw/zinc/95/00/77/344950077.db2.gz CVRWKAWBRKCCTO-HNNXBMFYSA-N 1 0 292.427 2.154 40 0 CEABRO Cc1ccccc1C[C@H]1CC[N@H+](Cc2cncnc2)C[C@H]1O ZINC000585277027 345009970 /nfs/dbraw/zinc/00/99/70/345009970.db2.gz FIUCUMDNSFLUJB-QZTJIDSGSA-N 1 0 297.402 2.211 40 0 CEABRO COc1ccc(C(=O)NCCC[NH+](C)C)cc1Cl ZINC000059400268 362647775 /nfs/dbraw/zinc/64/77/75/362647775.db2.gz WCAIGJKJXGMGTG-UHFFFAOYSA-N 1 0 270.760 2.030 40 0 CEABRO C[NH2+]Cc1nnc(C(F)(F)F)n1-c1ccccc1 ZINC000061957992 362700650 /nfs/dbraw/zinc/70/06/50/362700650.db2.gz JHZIREIKRXUUDH-UHFFFAOYSA-N 1 0 256.231 2.006 40 0 CEABRO O=C(C[C@H]1[C@H]2C[N@@H+](Cc3cccs3)C[C@@H]12)N1CCCC1 ZINC000107253896 186165033 /nfs/dbraw/zinc/16/50/33/186165033.db2.gz CZPSIJDSXIWIQO-QDMKHBRRSA-N 1 0 290.432 2.438 40 0 CEABRO O=C1NCC[C@@]12CCC[N@H+](Cc1cccs1)CC2 ZINC000108530425 186222442 /nfs/dbraw/zinc/22/24/42/186222442.db2.gz CRCXRIMXKQWMDM-CQSZACIVSA-N 1 0 264.394 2.240 40 0 CEABRO CC(C)[N@H+](Cc1ccccc1)C1CCN(CCO)CC1 ZINC000079414296 363597497 /nfs/dbraw/zinc/59/74/97/363597497.db2.gz QSZNNUKCOVZFMJ-UHFFFAOYSA-N 1 0 276.424 2.354 40 0 CEABRO COC(=O)[C@H]1C[N@H+](C)C[C@H]1c1ccccc1Cl ZINC000242728144 540424201 /nfs/dbraw/zinc/42/42/01/540424201.db2.gz YVCKOEIZBOKVIO-QWRGUYRKSA-N 1 0 253.729 2.158 40 0 CEABRO NNc1[nH+]cccc1-c1nc(-c2ccccc2)no1 ZINC000070451574 283533638 /nfs/dbraw/zinc/53/36/38/283533638.db2.gz DZKMHALDBMQQCF-UHFFFAOYSA-N 1 0 253.265 2.084 40 0 CEABRO CC(C)(C)[NH2+]CCS(=O)(=O)c1nc2ccccc2s1 ZINC000002751770 361248122 /nfs/dbraw/zinc/24/81/22/361248122.db2.gz TXYBAVXHKNUCOI-UHFFFAOYSA-N 1 0 298.433 2.458 40 0 CEABRO CCCCC[NH2+]CCOC(=O)c1ccc(N)cc1 ZINC000001672767 361216657 /nfs/dbraw/zinc/21/66/57/361216657.db2.gz UYXHCVFXDBNRQW-UHFFFAOYSA-N 1 0 250.342 2.205 40 0 in-man CEABRO Cc1ncc(CSC(N)=[NH2+])n1Cc1ccccc1 ZINC000003954518 361295987 /nfs/dbraw/zinc/29/59/87/361295987.db2.gz FHFHMOYELTZEQX-UHFFFAOYSA-N 1 0 260.366 2.366 40 0 in-vitro CEABRO COC(=O)[C@]12CCC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000004203345 361305594 /nfs/dbraw/zinc/30/55/94/361305594.db2.gz DFKYQTUJTMSPII-ZBFHGGJFSA-N 1 0 259.349 2.462 40 0 CEABRO C[N@@H+]1CCC[C@H](C(=O)Nc2ccc(F)cc2F)C1 ZINC000082336773 363768048 /nfs/dbraw/zinc/76/80/48/363768048.db2.gz FVASUJIRQBSLBJ-VIFPVBQESA-N 1 0 254.280 2.245 40 0 CEABRO CCn1cc(C[N@@H+]2CCC[C@H](c3cnccn3)C2)cn1 ZINC000012252730 361375820 /nfs/dbraw/zinc/37/58/20/361375820.db2.gz HVVXFSAWJWYWQD-AWEZNQCLSA-N 1 0 271.368 2.073 40 0 CEABRO Cc1cc(C)c2cc(C[NH2+]C(C)C)c3nn(C)c(=O)n3c2c1 ZINC000012326479 361377278 /nfs/dbraw/zinc/37/72/78/361377278.db2.gz ZUOTWCCWXCXZKH-UHFFFAOYSA-N 1 0 298.390 2.301 40 0 CEABRO COc1cccc(CC[NH2+]Cc2cn(C)nc2C)c1 ZINC000012398138 361382942 /nfs/dbraw/zinc/38/29/42/361382942.db2.gz ZRYCSDROBFFSGH-UHFFFAOYSA-N 1 0 259.353 2.069 40 0 CEABRO OCCC[N@H+](Cc1ccncc1)Cc1cccc(O)c1 ZINC000013568164 361432515 /nfs/dbraw/zinc/43/25/15/361432515.db2.gz JARKLRWKVSMUJQ-UHFFFAOYSA-N 1 0 272.348 2.172 40 0 CEABRO Cc1ccccc1CSCC(=O)NCCC[NH+](C)C ZINC000013613621 361434733 /nfs/dbraw/zinc/43/47/33/361434733.db2.gz KQVOMYGJMCJKIF-UHFFFAOYSA-N 1 0 280.437 2.296 40 0 CEABRO CC(C)(C)OC(=O)N1CC([NH2+]Cc2ccccc2)C1 ZINC000016083186 361483386 /nfs/dbraw/zinc/48/33/86/361483386.db2.gz ZAAOSMHEKVAPLQ-UHFFFAOYSA-N 1 0 262.353 2.396 40 0 CEABRO CN(CC[NH2+]C[C@H]1CCCN1C)Cc1cccc(Cl)c1 ZINC000019362059 361527569 /nfs/dbraw/zinc/52/75/69/361527569.db2.gz YDZPCHJOAHTNCR-MRXNPFEDSA-N 1 0 295.858 2.456 40 0 CEABRO COc1ccc(CN2C[C@H]3CCC[N@@H+]3C[C@H]2C)cc1 ZINC000019575114 361543932 /nfs/dbraw/zinc/54/39/32/361543932.db2.gz YIBMDJHUYQYHFA-UKRRQHHQSA-N 1 0 260.381 2.364 40 0 CEABRO COc1ccc(Cl)cc1NC(=O)C1CC[NH2+]CC1 ZINC000019408629 361532144 /nfs/dbraw/zinc/53/21/44/361532144.db2.gz DBUZNXJVCBJPTE-UHFFFAOYSA-N 1 0 268.744 2.287 40 0 CEABRO CC[NH+]1CCN(c2ccc3nc(N)sc3c2)CC1 ZINC000031894458 361723177 /nfs/dbraw/zinc/72/31/77/361723177.db2.gz ZRCNMGKKMLYDFW-UHFFFAOYSA-N 1 0 262.382 2.020 40 0 CEABRO [NH3+]CCc1nc(-c2ccccc2C(F)(F)F)no1 ZINC000089262337 363952244 /nfs/dbraw/zinc/95/22/44/363952244.db2.gz GAZIMXKAFHALKL-UHFFFAOYSA-N 1 0 257.215 2.257 40 0 CEABRO BrC1=NO[C@@H](C[NH2+]Cc2ccccc2)C1 ZINC000095098360 364340602 /nfs/dbraw/zinc/34/06/02/364340602.db2.gz CUVOOGSVGOUEAE-SNVBAGLBSA-N 1 0 269.142 2.274 40 0 CEABRO CC(C)CC[N@H+]1C[C@H]2CN(Cc3ccccn3)C[C@H]2C1 ZINC000096161610 364404078 /nfs/dbraw/zinc/40/40/78/364404078.db2.gz XYHDXTJMCRZPQX-IYBDPMFKSA-N 1 0 273.424 2.491 40 0 CEABRO CN(C)Cc1cnc2n1CC[N@@H+](Cc1cccs1)CC2 ZINC000096196773 364409365 /nfs/dbraw/zinc/40/93/65/364409365.db2.gz MWRXMUIJGXHPDQ-UHFFFAOYSA-N 1 0 290.436 2.065 40 0 CEABRO CC[N@@H+]1CCC[C@]12CCCN(C(=O)c1ccccn1)C2 ZINC000096203217 364410299 /nfs/dbraw/zinc/41/02/99/364410299.db2.gz NKBCFHWJSMBBIW-INIZCTEOSA-N 1 0 273.380 2.172 40 0 CEABRO CC(C)[N@@H+]1CC[C@]2(C1)C[C@H](NC(=O)c1ccco1)CCO2 ZINC000096206486 364411449 /nfs/dbraw/zinc/41/14/49/364411449.db2.gz IYMLNYOSEXBSDT-CZUORRHYSA-N 1 0 292.379 2.041 40 0 CEABRO c1cncc(C[N@H+]2CC[C@@H](OCC3CC3)[C@H]3OCC[C@@H]32)c1 ZINC000096220194 364414336 /nfs/dbraw/zinc/41/43/36/364414336.db2.gz HSVGQOQFWXTMKL-BBWFWOEESA-N 1 0 288.391 2.240 40 0 CEABRO Cc1cccc(C[N@@H+]2CC[C@]3(C2)c2ccccc2NC3=O)n1 ZINC000096244786 364416918 /nfs/dbraw/zinc/41/69/18/364416918.db2.gz HJPPPKVWQCLCGQ-SFHVURJKSA-N 1 0 293.370 2.486 40 0 CEABRO CC(C)(C)OC(=O)N1C[C@@H](C[NH3+])[C@@](C)(C(F)(F)F)C1 ZINC000199784290 189684158 /nfs/dbraw/zinc/68/41/58/189684158.db2.gz DRBPWTVZJTZWFG-KCJUWKMLSA-N 1 0 282.306 2.381 40 0 CEABRO C[C@H](c1ccccc1)[N@@H+]1CCC[C@@]2(CN(C)C2=O)C1 ZINC000585099437 367177327 /nfs/dbraw/zinc/17/73/27/367177327.db2.gz JIYHEDORYCDKBB-CZUORRHYSA-N 1 0 258.365 2.302 40 0 CEABRO CC[NH+](CC)C[C@@H]1CCC2(CN(C(=O)CC(C)C)C2)OC1 ZINC000585093680 367178004 /nfs/dbraw/zinc/17/80/04/367178004.db2.gz NABRXIHPIVOPIB-HNNXBMFYSA-N 1 0 296.455 2.382 40 0 CEABRO C[NH+](C)CCCNC(=O)c1ccc2nc(Cl)oc2c1 ZINC000225975255 189767945 /nfs/dbraw/zinc/76/79/45/189767945.db2.gz PXAHGTHJIFGPAF-UHFFFAOYSA-N 1 0 281.743 2.163 40 0 CEABRO CC(=O)[C@](C)(O)C[NH+]1CCC(Nc2cccc(C)c2)CC1 ZINC000330861219 203324438 /nfs/dbraw/zinc/32/44/38/203324438.db2.gz PUZBEJZNTXXMQU-QGZVFWFLSA-N 1 0 290.407 2.211 40 0 CEABRO Cc1ccc(Nc2nc(C)cc(N3CC[NH2+]CC3)n2)cc1 ZINC000217507894 370197001 /nfs/dbraw/zinc/19/70/01/370197001.db2.gz KLCJVKZGDTWQFE-UHFFFAOYSA-N 1 0 283.379 2.247 40 0 CEABRO CCOc1cccc(NC(=S)NCCC[NH+](C)C)c1 ZINC000225402484 370292657 /nfs/dbraw/zinc/29/26/57/370292657.db2.gz KAHPNFVACAGOBV-UHFFFAOYSA-N 1 0 281.425 2.323 40 0 CEABRO CNC(=O)[C@H]1CCC[C@@]12CC[N@H+](Cc1ccsc1)C2 ZINC000247957421 371150074 /nfs/dbraw/zinc/15/00/74/371150074.db2.gz PCOOAHQOSIDBAW-HIFRSBDPSA-N 1 0 278.421 2.486 40 0 CEABRO C[NH+](C)C[C@@H]1Cn2nccc2CN(CCc2ccccc2)C1 ZINC000248094242 371160802 /nfs/dbraw/zinc/16/08/02/371160802.db2.gz GEHBZYKGYCMEGC-KRWDZBQOSA-N 1 0 298.434 2.119 40 0 CEABRO c1cncc(OC[C@H]2CCOC23C[NH+](CC2CCC2)C3)c1 ZINC000248335162 371175939 /nfs/dbraw/zinc/17/59/39/371175939.db2.gz MMXBFFMRUHUZDO-OAHLLOKOSA-N 1 0 288.391 2.351 40 0 CEABRO O[C@H](COc1ccccc1)C[N@@H+]1CC[C@H]2C=CC=C[C@H]2C1 ZINC000252444349 371438191 /nfs/dbraw/zinc/43/81/91/371438191.db2.gz HSIIBDBKJDPQQR-IKGGRYGDSA-N 1 0 285.387 2.490 40 0 CEABRO Cc1c[nH]c([C@H]2CC[N@@H+](Cc3csc(C)n3)C2)n1 ZINC000257203938 190011755 /nfs/dbraw/zinc/01/17/55/190011755.db2.gz ASGXJLRMKXTGCQ-NSHDSACASA-N 1 0 262.382 2.473 40 0 CEABRO CC(C)[NH+]1CCC(c2nccnc2-c2nccn2C)CC1 ZINC000257252577 190020941 /nfs/dbraw/zinc/02/09/41/190020941.db2.gz JVGIHEBESJBZML-UHFFFAOYSA-N 1 0 285.395 2.465 40 0 CEABRO CC(C)n1cc(-c2nccnc2C[C@@H]2CCC[NH2+]C2)cn1 ZINC000257269564 190024027 /nfs/dbraw/zinc/02/40/27/190024027.db2.gz MQMXEWNJMJTEHQ-ZDUSSCGKSA-N 1 0 285.395 2.463 40 0 CEABRO COc1ccccc1C[NH+]1CCC2(CC1)OCCC[C@H]2O ZINC000257277786 190025263 /nfs/dbraw/zinc/02/52/63/190025263.db2.gz NZJBBGIDJODBDL-MRXNPFEDSA-N 1 0 291.391 2.201 40 0 CEABRO c1cc(Nc2cnccn2)nc([C@H]2CCC[NH2+]C2)c1 ZINC000257268238 190024324 /nfs/dbraw/zinc/02/43/24/190024324.db2.gz MKTZLSHBEQUTJJ-NSHDSACASA-N 1 0 255.325 2.082 40 0 CEABRO C[N@@H+]1CCC[C@@H]2N(C(=O)c3cccnc3)CCC[C@@]21C ZINC000257292950 190027765 /nfs/dbraw/zinc/02/77/65/190027765.db2.gz QNORVPKLQWLUEO-HOCLYGCPSA-N 1 0 273.380 2.171 40 0 CEABRO C[N@@H+]1C[C@H](c2ccccc2)[C@H]2CN(Cc3cc[nH]n3)CC[C@H]21 ZINC000257310525 190031845 /nfs/dbraw/zinc/03/18/45/190031845.db2.gz UFKWLUHZHJRLGH-KZNAEPCWSA-N 1 0 296.418 2.329 40 0 CEABRO Cc1ncc(-c2cc(C)nc([C@@H]3CCC[N@H+](C)C3)n2)n1C ZINC000257295683 190028671 /nfs/dbraw/zinc/02/86/71/190028671.db2.gz QZLCODUGTMTZHK-CYBMUJFWSA-N 1 0 285.395 2.303 40 0 CEABRO COc1ccc(C[NH+]2CCC3(CC2)OCCC[C@H]3O)cc1 ZINC000257302620 190030256 /nfs/dbraw/zinc/03/02/56/190030256.db2.gz SDPHHVDAAIAUIG-MRXNPFEDSA-N 1 0 291.391 2.201 40 0 CEABRO Cc1cccnc1C(=O)N1CCC[C@H]2[NH2+]CCC[C@@]21C ZINC000257316651 190032607 /nfs/dbraw/zinc/03/26/07/190032607.db2.gz VGLVLAVCYBHQBB-CJNGLKHVSA-N 1 0 273.380 2.137 40 0 CEABRO Cc1cn(C)c([C@@H]2CCC[N@H+](Cc3ccnc(C)n3)C2)n1 ZINC000257342606 190037018 /nfs/dbraw/zinc/03/70/18/190037018.db2.gz ZPKUHMHWWFJSIU-CQSZACIVSA-N 1 0 285.395 2.207 40 0 CEABRO O=C(NC[C@H]1CCCC[NH2+]C1)OCc1ccccc1 ZINC000261507213 190040391 /nfs/dbraw/zinc/04/03/91/190040391.db2.gz GMKHHBJBFHHQBW-AWEZNQCLSA-N 1 0 262.353 2.303 40 0 CEABRO Cc1ccc(N2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)nn1 ZINC000396185149 256687633 /nfs/dbraw/zinc/68/76/33/256687633.db2.gz UBHAOKIFMKUUSO-IAGOWNOFSA-N 1 0 294.402 2.353 40 0 CEABRO COc1ccccc1C[N@H+]1CC[C@H](OC)[C@H]2OCC[C@@H]21 ZINC000096216714 256825967 /nfs/dbraw/zinc/82/59/67/256825967.db2.gz KBUCCWSCWDLPKW-BPUTZDHNSA-N 1 0 277.364 2.073 40 0 CEABRO CCOc1c(C)cc(-c2noc(CC[NH3+])n2)cc1C ZINC000095095360 184942785 /nfs/dbraw/zinc/94/27/85/184942785.db2.gz LXCKFEMIYRNNEY-UHFFFAOYSA-N 1 0 261.325 2.253 40 0 CEABRO COc1ccc2c(c1)CC[C@@H](SC1=[NH+]CCCN1)C2=O ZINC000006407092 394459614 /nfs/dbraw/zinc/45/96/14/394459614.db2.gz CFYCJBGSGXYLBH-CYBMUJFWSA-N 1 0 290.388 2.275 40 0 CEABRO C[N@@H+]1C[C@H](CO)[C@@H](c2cccc(Br)c2)C1 ZINC000225609271 394469464 /nfs/dbraw/zinc/46/94/64/394469464.db2.gz UOALQWUFZSXGPE-ZYHUDNBSSA-N 1 0 270.170 2.087 40 0 CEABRO CCSc1ncc(C[NH2+]C[C@@H]2CCCN2CC)cn1 ZINC000062718364 394571251 /nfs/dbraw/zinc/57/12/51/394571251.db2.gz WROVRKSWLBYTMX-ZDUSSCGKSA-N 1 0 280.441 2.163 40 0 CEABRO C[C@H]1CCCC[N@@H+]1[C@H]1CC(=O)N(c2ccccc2)C1=O ZINC000248127800 394537345 /nfs/dbraw/zinc/53/73/45/394537345.db2.gz XOJZOOPMSCPKHK-JSGCOSHPSA-N 1 0 272.348 2.193 40 0 CEABRO CC[C@H]([NH3+])[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C ZINC000072208800 394591988 /nfs/dbraw/zinc/59/19/88/394591988.db2.gz GNHNJLXZUVGRJW-UWVGGRQHSA-N 1 0 258.362 2.096 40 0 CEABRO COc1cccc(NCc2n[nH]c([C@H]([NH3+])C(C)C)n2)c1 ZINC000095534743 394673085 /nfs/dbraw/zinc/67/30/85/394673085.db2.gz KVYIFOYNQVWFDS-CYBMUJFWSA-N 1 0 275.356 2.081 40 0 CEABRO CC(C)C[NH+]1CCC2(C[C@@H](c3cnn(C)c3)CO2)CC1 ZINC000096073035 394675356 /nfs/dbraw/zinc/67/53/56/394675356.db2.gz DKAGZXVBBWZSDV-CQSZACIVSA-N 1 0 277.412 2.415 40 0 CEABRO C[N@@H+]1CC[C@@]2(C1)COCc1cnc(-c3ccccc3)nc12 ZINC000096080384 394675878 /nfs/dbraw/zinc/67/58/78/394675878.db2.gz YLCQPSWLMCIPQB-QGZVFWFLSA-N 1 0 281.359 2.247 40 0 CEABRO CN(C)C(=O)COC[C@@]12CCC[C@@H]1C[N@@H+](C1CCCC1)C2 ZINC000096109180 394677243 /nfs/dbraw/zinc/67/72/43/394677243.db2.gz OSMRJBHVOPWDHG-PBHICJAKSA-N 1 0 294.439 2.136 40 0 CEABRO Cc1ccc(Cl)c(OC[C@]2(O)CCC[NH2+]C2)c1 ZINC000405133005 395287622 /nfs/dbraw/zinc/28/76/22/395287622.db2.gz ORANESOVJYVPJK-ZDUSSCGKSA-N 1 0 255.745 2.142 40 0 CEABRO C[N@H+]1[C@@H]2CC[C@H]1CC(OC(=O)CNC1CCCCC1)C2 ZINC000006703232 170230369 /nfs/dbraw/zinc/23/03/69/170230369.db2.gz IDCOFRHAGSNQQY-YIONKMFJSA-N 1 0 280.412 2.077 40 0 CEABRO Cc1ccc(NC(=[NH2+])Nc2nc(C)c(C)c(=O)[nH]2)cc1C ZINC000010156496 170398858 /nfs/dbraw/zinc/39/88/58/170398858.db2.gz XKDFPSLATAKOEH-UHFFFAOYSA-N 1 0 285.351 2.462 40 0 CEABRO COC(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1C ZINC000021987929 171345813 /nfs/dbraw/zinc/34/58/13/171345813.db2.gz PECKJJLXPJQABJ-OCCSQVGLSA-N 1 0 262.353 2.253 40 0 CEABRO O=C(NCCC[NH+]1CCCC1)NC1CCCCC1 ZINC000036518391 172637926 /nfs/dbraw/zinc/63/79/26/172637926.db2.gz AKERQKJNZITBHR-UHFFFAOYSA-N 1 0 253.390 2.104 40 0 CEABRO COc1cc([C@@H]2CCC[NH2+]C2)cc(OC)c1OC ZINC000038539233 174145655 /nfs/dbraw/zinc/14/56/55/174145655.db2.gz FRXBSJMDBFVZJP-SNVBAGLBSA-N 1 0 251.326 2.179 40 0 CEABRO [NH3+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OCc1ccccc1 ZINC000044137861 175146190 /nfs/dbraw/zinc/14/61/90/175146190.db2.gz GDXKRTUSJPSARB-AGUYFDCRSA-N 1 0 260.337 2.277 40 0 CEABRO Cc1cccc([C@H]2C[C@@H](O)[C@@H](O)[C@@H]2[NH2+]Cc2ccccc2)c1 ZINC000072321692 176368768 /nfs/dbraw/zinc/36/87/68/176368768.db2.gz AFYKYLTZANRCDB-NCXUSEDFSA-N 1 0 297.398 2.363 40 0 biogenic,in-vitro CEABRO CCc1nccn1-c1cccc([C@H]2CCC[NH2+]C2)n1 ZINC000072343720 176372042 /nfs/dbraw/zinc/37/20/42/176372042.db2.gz FQHSBOBDLUSACD-LBPRGKRZSA-N 1 0 256.353 2.297 40 0 CEABRO Cc1ccc(Nc2nccc([C@@H]3CCC[NH2+]3)n2)nc1 ZINC000072376723 176385349 /nfs/dbraw/zinc/38/53/49/176385349.db2.gz OTDCNBXCFBFKLN-NSHDSACASA-N 1 0 255.325 2.348 40 0 CEABRO CSc1ccc(CN2C[C@@H]3C[C@@H](O)C[N@@H+]3C[C@H]2C)cc1 ZINC000072397667 176395057 /nfs/dbraw/zinc/39/50/57/176395057.db2.gz QERHHOFNCGADLU-VHDGCEQUSA-N 1 0 292.448 2.048 40 0 CEABRO O[C@H]1CCC[N@H+](Cc2ccc3cc(F)ccc3n2)C1 ZINC000072397880 176395632 /nfs/dbraw/zinc/39/56/32/176395632.db2.gz NLZAFJLPHIHDAB-AWEZNQCLSA-N 1 0 260.312 2.331 40 0 CEABRO c1ccc([C@H](C2CCOCC2)N2CC[NH2+]CC2)cc1 ZINC000076671303 177053567 /nfs/dbraw/zinc/05/35/67/177053567.db2.gz ZWPXMZZSZZZDSK-MRXNPFEDSA-N 1 0 260.381 2.060 40 0 CEABRO CC(=O)O[C@@H]1C[C@H]2c3ccccc3[C@@H]1c1cccc[n+]12 ZINC000005120981 260017093 /nfs/dbraw/zinc/01/70/93/260017093.db2.gz RKHOMGSNJGTYPU-GVDBMIGSSA-N 1 0 266.320 2.344 40 0 CEABRO CC(=O)N1CCc2cc([C@@H](O)C[NH+]3CCCCC3)ccc21 ZINC000062353860 260235333 /nfs/dbraw/zinc/23/53/33/260235333.db2.gz VUMKKYRZWXRFTM-KRWDZBQOSA-N 1 0 288.391 2.115 40 0 CEABRO Brc1ccc2c(c1)CC[C@@]21COCC[NH2+]1 ZINC000306145910 275712876 /nfs/dbraw/zinc/71/28/76/275712876.db2.gz VLUSSUHONDIFOD-GFCCVEGCSA-N 1 0 268.154 2.210 40 0 CEABRO c1ccc(C[NH2+]C[C@H]2COCc3nc4cccnc4n32)cc1 ZINC000096112785 275067304 /nfs/dbraw/zinc/06/73/04/275067304.db2.gz ZUSZUOXVUADEQT-AWEZNQCLSA-N 1 0 294.358 2.292 40 0 biogenic,in-vitro CEABRO C[N@@H+]1CCC[C@@]2(C)[C@H]1CCCN2C(=O)c1ccccn1 ZINC000257269819 277070983 /nfs/dbraw/zinc/07/09/83/277070983.db2.gz MRNFHBVRLGNJJM-ZBFHGGJFSA-N 1 0 273.380 2.171 40 0 CEABRO C[C@H]1C[NH2+]CCN1C(=O)c1cccc(C(F)(F)F)c1 ZINC000054369755 279907713 /nfs/dbraw/zinc/90/77/13/279907713.db2.gz WIFHDFFCOCYYNP-VIFPVBQESA-N 1 0 272.270 2.139 40 0 CEABRO O=C(C[C@@H]1CC2(CC[NH2+]CC2)c2ccccc21)NC1CC1 ZINC000306140508 295531955 /nfs/dbraw/zinc/53/19/55/295531955.db2.gz UVSSKZDZSYAMGS-CYBMUJFWSA-N 1 0 284.403 2.464 40 0 CEABRO C[C@H]([NH3+])CN1CCc2sc(Br)cc2C1 ZINC000095097553 298961779 /nfs/dbraw/zinc/96/17/79/298961779.db2.gz DDPNLWPHIJPPCB-ZETCQYMHSA-N 1 0 275.215 2.216 40 0 CEABRO Cc1cc(C)nc(NCC[NH2+]Cc2ccccc2F)n1 ZINC000062717866 333176063 /nfs/dbraw/zinc/17/60/63/333176063.db2.gz RGEWXRGZXOPVCG-UHFFFAOYSA-N 1 0 274.343 2.434 40 0 CEABRO CC[NH+](CC)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(C)O ZINC000685936448 567102965 /nfs/dbraw/zinc/10/29/65/567102965.db2.gz XZGHWFKFMPKSND-SWLSCSKDSA-N 1 0 286.416 2.089 40 0 CEABRO Fc1cccnc1O[C@H]1CC[C@H]2[C@H]1OCC[N@@H+]2C1CCC1 ZINC000096042324 185069975 /nfs/dbraw/zinc/06/99/75/185069975.db2.gz HYAULEHHASJOBF-SOUVJXGZSA-N 1 0 292.354 2.384 40 0 CEABRO Cc1noc(C)c1C[N@H+]1CC[C@H]2C[C@H](C)O[C@@H]2C1 ZINC000096046014 185071672 /nfs/dbraw/zinc/07/16/72/185071672.db2.gz LKUAANZEFSRWDV-DUFXMDAXSA-N 1 0 250.342 2.291 40 0 CEABRO Cc1ccc(C[N@@H+]2CCC[C@]3(CCCC(=O)N3)C2)o1 ZINC000096049939 185074370 /nfs/dbraw/zinc/07/43/70/185074370.db2.gz SUFXQZXCARATNO-OAHLLOKOSA-N 1 0 262.353 2.223 40 0 CEABRO C[N@@H+]1CCCCC12CCN(C(=O)c1ccco1)CC2 ZINC000096051202 185074488 /nfs/dbraw/zinc/07/44/88/185074488.db2.gz HYECCFFAPINIHG-UHFFFAOYSA-N 1 0 262.353 2.370 40 0 CEABRO CN1C(=O)CCC[C@@]12CCC[N@H+](Cc1ccoc1)C2 ZINC000096049951 185074514 /nfs/dbraw/zinc/07/45/14/185074514.db2.gz OCESUUAMAUJNIC-HNNXBMFYSA-N 1 0 262.353 2.257 40 0 CEABRO CN1C(=O)CCC[C@]12CCC[N@H+](Cc1ccco1)C2 ZINC000096049948 185074952 /nfs/dbraw/zinc/07/49/52/185074952.db2.gz GGAZXMHGTBQHDT-OAHLLOKOSA-N 1 0 262.353 2.257 40 0 CEABRO O=C1[C@H]2C[N@H+](Cc3ccoc3)C[C@H]2CN1c1ccccc1 ZINC000096053574 185075090 /nfs/dbraw/zinc/07/50/90/185075090.db2.gz UYUUZRNEUPLYLI-HOCLYGCPSA-N 1 0 282.343 2.374 40 0 CEABRO COC[C@@]12CCCO[C@H]1CC[N@H+](Cc1ccco1)C2 ZINC000096056711 185078058 /nfs/dbraw/zinc/07/80/58/185078058.db2.gz MSHWUFSCDKMXQC-GJZGRUSLSA-N 1 0 265.353 2.297 40 0 CEABRO Cc1ccc(C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3C)s1 ZINC000096056466 185078076 /nfs/dbraw/zinc/07/80/76/185078076.db2.gz JYQVWFJWUHHMFZ-CHWSQXEVSA-N 1 0 264.394 2.252 40 0 CEABRO O[C@@H]1CC[N@H+](Cc2ccc(F)cc2)[C@H]1Cc1cccnc1 ZINC000096061604 185082650 /nfs/dbraw/zinc/08/26/50/185082650.db2.gz YAEWDXCHBMSKBU-DLBZAZTESA-N 1 0 286.350 2.399 40 0 CEABRO c1cncc(OCc2noc3c2C[N@H+](CC2CC2)CC3)c1 ZINC000096085102 185092917 /nfs/dbraw/zinc/09/29/17/185092917.db2.gz JXJHJYNLTZSTDQ-UHFFFAOYSA-N 1 0 285.347 2.417 40 0 CEABRO O=C(OCc1ccccc1)N1CCC2(C1)CC[NH2+]CC2 ZINC000083351160 178380865 /nfs/dbraw/zinc/38/08/65/178380865.db2.gz DFQASBLNWYEDIT-UHFFFAOYSA-N 1 0 274.364 2.399 40 0 CEABRO CC(C)[C@H]([NH3+])C(=O)N(Cc1ccccc1F)C1CC1 ZINC000037801453 361943063 /nfs/dbraw/zinc/94/30/63/361943063.db2.gz NOOOWXUGKPYWTP-AWEZNQCLSA-N 1 0 264.344 2.300 40 0 CEABRO c1ccc(N2CC[C@@H]3[C@@H]2CC[N@H+]3CC2CCOCC2)nc1 ZINC000096184434 344239096 /nfs/dbraw/zinc/23/90/96/344239096.db2.gz YRHITWJVNXSXKP-CVEARBPZSA-N 1 0 287.407 2.161 40 0 CEABRO O=C1OC(c2ccccc2)(c2ccccc2)[C@H]2C[NH2+]CCN12 ZINC000051943958 362452188 /nfs/dbraw/zinc/45/21/88/362452188.db2.gz UMLLCOYGUHIBSL-MRXNPFEDSA-N 1 0 294.354 2.354 40 0 CEABRO [NH3+]CCc1c2c(c(Br)c3c1CCO3)CCC2 ZINC000329788174 344758811 /nfs/dbraw/zinc/75/88/11/344758811.db2.gz WFNWRCGCQXURQS-UHFFFAOYSA-N 1 0 282.181 2.374 40 0 CEABRO CC(C)[C@@H]([NH3+])[C@@H](N)c1ccc(Br)cc1 ZINC000067794695 362924899 /nfs/dbraw/zinc/92/48/99/362924899.db2.gz FKHCYVRBONTCAI-MNOVXSKESA-N 1 0 257.175 2.432 40 0 CEABRO c1cc(-c2ccc3nc(C4CC[NH2+]CC4)nn3c2)ccn1 ZINC000107488205 186175731 /nfs/dbraw/zinc/17/57/31/186175731.db2.gz PCUCCEFEWPHIOI-UHFFFAOYSA-N 1 0 279.347 2.258 40 0 CEABRO CCO[C@H](C(=O)NC1CC[NH+](C2CCC2)CC1)C(C)C ZINC000627668937 350904393 /nfs/dbraw/zinc/90/43/93/350904393.db2.gz NCMBYZOPYFQLKA-HNNXBMFYSA-N 1 0 282.428 2.181 40 0 CEABRO O=C(NCCC[NH+]1CCCCC1)c1cccc(F)c1 ZINC000072781852 363165026 /nfs/dbraw/zinc/16/50/26/363165026.db2.gz FUBTUWLUTWQXOJ-UHFFFAOYSA-N 1 0 264.344 2.432 40 0 CEABRO CCn1cc(-c2noc([C@@H]3CCCC[NH2+]3)n2)c(C)n1 ZINC000575410756 366281598 /nfs/dbraw/zinc/28/15/98/366281598.db2.gz FUVANGRBFAOLAS-NSHDSACASA-N 1 0 261.329 2.076 40 0 CEABRO Fc1cccc(F)c1-c1noc(C2CC[NH2+]CC2)n1 ZINC000075904269 363497153 /nfs/dbraw/zinc/49/71/53/363497153.db2.gz KTYUILXMTSYPFX-UHFFFAOYSA-N 1 0 265.263 2.482 40 0 CEABRO CC(C)[N@H+](CCO)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000079395093 363595391 /nfs/dbraw/zinc/59/53/91/363595391.db2.gz YWKRMJPLPIUQDH-KRWDZBQOSA-N 1 0 276.424 2.211 40 0 CEABRO COc1ccc(CC[NH2+][C@@H]2CCCC[C@@H]2O)cc1OC ZINC000001719178 361219979 /nfs/dbraw/zinc/21/99/79/361219979.db2.gz CDPYHMWDRBWSEJ-KGLIPLIRSA-N 1 0 279.380 2.139 40 0 CEABRO CC[C@@H](C)c1ccccc1OC[C@@H](O)C[NH2+][C@H](CC)CO ZINC000002694559 361244937 /nfs/dbraw/zinc/24/49/37/361244937.db2.gz LSOWXZOSDLPNHO-KFWWJZLASA-N 1 0 295.423 2.300 40 0 CEABRO COc1ccc([C@H]([NH3+])CNC(=O)OC(C)(C)C)cc1 ZINC000012357105 361378832 /nfs/dbraw/zinc/37/88/32/361378832.db2.gz KDPRBIGJWBCZKK-GFCCVEGCSA-N 1 0 266.341 2.220 40 0 CEABRO CCN(CC)C(=O)COC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000013424998 361427930 /nfs/dbraw/zinc/42/79/30/361427930.db2.gz YXGLGZVQMGKEBH-GJZGRUSLSA-N 1 0 282.428 2.136 40 0 CEABRO C[NH+]1CCC(NC(=S)Nc2ccc(F)cc2)CC1 ZINC000013775538 361441940 /nfs/dbraw/zinc/44/19/40/361441940.db2.gz WHZJFSJKYCZASP-UHFFFAOYSA-N 1 0 267.373 2.206 40 0 CEABRO CC[NH+](CC)CCN(C)CC(=O)Nc1ccccc1C ZINC000019366450 361528742 /nfs/dbraw/zinc/52/87/42/361528742.db2.gz XGHYRYOVNLJKIV-UHFFFAOYSA-N 1 0 277.412 2.207 40 0 CEABRO COc1cc(CN2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cc(OC)c1 ZINC000019575722 361542812 /nfs/dbraw/zinc/54/28/12/361542812.db2.gz FZINEIJGXRZIID-DZGCQCFKSA-N 1 0 290.407 2.372 40 0 CEABRO O[C@H](COc1ccccc1)C[N@@H+]1CC[C@@H]2C=CC=C[C@@H]2C1 ZINC000026531227 361642594 /nfs/dbraw/zinc/64/25/94/361642594.db2.gz HSIIBDBKJDPQQR-BBWFWOEESA-N 1 0 285.387 2.490 40 0 CEABRO Cc1cc(OC[C@@H](O)C[NH2+]C2CC2)cc(C)c1Cl ZINC000032118006 361730045 /nfs/dbraw/zinc/73/00/45/361730045.db2.gz PQCVFRGFKFTWBO-LBPRGKRZSA-N 1 0 269.772 2.449 40 0 CEABRO Cc1ccc(C[N@H+]2CC[C@@H]3[C@@H]2CCN3C(=O)NC(C)C)o1 ZINC000096184708 364406645 /nfs/dbraw/zinc/40/66/45/364406645.db2.gz MBONFTJDWSFUCG-LSDHHAIUSA-N 1 0 291.395 2.355 40 0 CEABRO CCc1ccc(C[NH2+][C@@H]2CCc3[nH]c(=O)ccc3C2)o1 ZINC000096189598 364407473 /nfs/dbraw/zinc/40/74/73/364407473.db2.gz WGKRDSKNGUUZGA-GFCCVEGCSA-N 1 0 272.348 2.177 40 0 CEABRO Cc1ccc(C[NH+]2CCC3(CCN(C(N)=O)C3)CC2)cc1 ZINC000096157635 364403192 /nfs/dbraw/zinc/40/31/92/364403192.db2.gz OFBQRNYLRROQHH-UHFFFAOYSA-N 1 0 287.407 2.362 40 0 CEABRO COC[C@@H]1C(=O)N(c2ccccc2)CC12CC[NH+](C)CC2 ZINC000096206146 364410066 /nfs/dbraw/zinc/41/00/66/364410066.db2.gz JLFNNZMBAHIWIC-OAHLLOKOSA-N 1 0 288.391 2.008 40 0 CEABRO CO[C@H]1CC[N@H+](Cc2ccsc2)[C@H]1Cc1cnn(C)c1 ZINC000096200594 364410255 /nfs/dbraw/zinc/41/02/55/364410255.db2.gz CWZKEVZDYHJFHB-GJZGRUSLSA-N 1 0 291.420 2.314 40 0 CEABRO O=C1N(CC2CC2)CC12CC[NH+](Cc1ccco1)CC2 ZINC000096202852 364410383 /nfs/dbraw/zinc/41/03/83/364410383.db2.gz MLADMLJQWOKJAK-UHFFFAOYSA-N 1 0 274.364 2.114 40 0 CEABRO C[NH+](C)[C@@H]1CCN(Cc2ccccn2)[C@H]1Cc1ccncc1 ZINC000096200982 364410521 /nfs/dbraw/zinc/41/05/21/364410521.db2.gz ROXDALNGMPJSPT-MSOLQXFVSA-N 1 0 296.418 2.224 40 0 CEABRO COc1ccc(C[N@@H+]2CC[C@H](O)[C@@H]2Cc2ccncc2)cc1 ZINC000096200715 364410566 /nfs/dbraw/zinc/41/05/66/364410566.db2.gz YXODIXGVYCKSIP-ROUUACIJSA-N 1 0 298.386 2.268 40 0 CEABRO O=C1Nc2ccccc2[C@@]12CC[N@H+](CC1CCC1)C2 ZINC000096244787 364415880 /nfs/dbraw/zinc/41/58/80/364415880.db2.gz ACPTYNFQFLLJPP-INIZCTEOSA-N 1 0 256.349 2.382 40 0 CEABRO [NH3+]Cc1cn(Cc2ccccc2Br)cn1 ZINC000098213995 364538315 /nfs/dbraw/zinc/53/83/15/364538315.db2.gz BRQWXOBJAMTMQM-UHFFFAOYSA-N 1 0 266.142 2.153 40 0 CEABRO [NH3+]Cc1ccc([C@@H]2CCNC(=O)C2)c(C(F)(F)F)c1 ZINC000199775237 189684087 /nfs/dbraw/zinc/68/40/87/189684087.db2.gz FELHLKMGILPVEL-SECBINFHSA-N 1 0 272.270 2.158 40 0 CEABRO COc1ccc(N[C@@H]2CCCC[C@H]2[NH3+])c(OC)c1 ZINC000218860690 370213736 /nfs/dbraw/zinc/21/37/36/370213736.db2.gz YVBICIOTVFORIW-VXGBXAGGSA-N 1 0 250.342 2.386 40 0 CEABRO Cc1ccc2c(n1)N(C)[C@H](CO)CC[N@@H+](CC(C)C)C2 ZINC000225494202 370299388 /nfs/dbraw/zinc/29/93/88/370299388.db2.gz DLMPWCMQOPGKRA-HNNXBMFYSA-N 1 0 277.412 2.049 40 0 biogenic,in-vitro CEABRO CC(C)(C)OC(=O)N1CCCN(c2cc(N)cc[nH+]2)CC1 ZINC000229976295 370435910 /nfs/dbraw/zinc/43/59/10/370435910.db2.gz AXUKLRLHEJYGHY-UHFFFAOYSA-N 1 0 292.383 2.111 40 0 CEABRO COc1cccc(CC[NH2+]Cc2cc(C)nn2C)c1 ZINC000235006796 370554024 /nfs/dbraw/zinc/55/40/24/370554024.db2.gz OJYPIXSLJSWILD-UHFFFAOYSA-N 1 0 259.353 2.069 40 0 CEABRO c1cncc(COCC[C@H]2CCOC23CC[NH2+]CC3)c1 ZINC000247816112 371142582 /nfs/dbraw/zinc/14/25/82/371142582.db2.gz BFRQKBNAGHSCCI-HNNXBMFYSA-N 1 0 276.380 2.147 40 0 CEABRO c1cc(CO[C@@H]2CCOC3(C[NH+](CC4CC4)C3)C2)ccn1 ZINC000253591348 371530820 /nfs/dbraw/zinc/53/08/20/371530820.db2.gz MKMWJBXGNOGUGV-MRXNPFEDSA-N 1 0 288.391 2.242 40 0 CEABRO C[N@@H+]1CC[C@@H](c2ccnc(Nc3ccccn3)n2)C1 ZINC000257322793 371612501 /nfs/dbraw/zinc/61/25/01/371612501.db2.gz WHKMNRJOHSXVHN-LLVKDONJSA-N 1 0 255.325 2.034 40 0 CEABRO Cc1cccc(COCC[C@H]2CCOC23CC[NH2+]CC3)n1 ZINC000247851771 189942368 /nfs/dbraw/zinc/94/23/68/189942368.db2.gz AYVLBAPAXDAVIA-HNNXBMFYSA-N 1 0 290.407 2.455 40 0 CEABRO CC(=O)N1CCC[C@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000408604100 375513622 /nfs/dbraw/zinc/51/36/22/375513622.db2.gz DJJKNZXVUDAVQI-INIZCTEOSA-N 1 0 258.365 2.056 40 0 CEABRO CCCn1cc(C[NH2+]Cc2cnn(CC)c2)c(C)n1 ZINC000256051324 190003643 /nfs/dbraw/zinc/00/36/43/190003643.db2.gz IRNQESRJXTUOKD-UHFFFAOYSA-N 1 0 261.373 2.108 40 0 CEABRO CC[NH+](CC)CCNCc1cn(C(C)C)nc1C ZINC000256051567 190003901 /nfs/dbraw/zinc/00/39/01/190003901.db2.gz JRPUMQGZHQORHI-UHFFFAOYSA-N 1 0 252.406 2.204 40 0 CEABRO Cc1nn(C(C)C)cc1C[NH2+]Cc1cnn(C)c1C ZINC000256052524 190004586 /nfs/dbraw/zinc/00/45/86/190004586.db2.gz NRJZFQZWCUHSJT-UHFFFAOYSA-N 1 0 261.373 2.104 40 0 CEABRO O=C(Nc1ccccn1)c1cccc([C@@H]2CCC[NH2+]C2)n1 ZINC000257197515 190009879 /nfs/dbraw/zinc/00/98/79/190009879.db2.gz BQGQAKVYIFLYDN-GFCCVEGCSA-N 1 0 282.347 2.196 40 0 CEABRO CNC(=O)C[N@@H+]1CCC[C@@H](Cc2cnc3ccccc3c2)C1 ZINC000257205984 190011639 /nfs/dbraw/zinc/01/16/39/190011639.db2.gz BBJWOAOUPSJHQM-AWEZNQCLSA-N 1 0 297.402 2.235 40 0 CEABRO CC(C)n1nccc1-c1cnc(C[C@@H]2CCC[NH2+]C2)cn1 ZINC000257217221 190014310 /nfs/dbraw/zinc/01/43/10/190014310.db2.gz CYCHYUMISMFHSO-ZDUSSCGKSA-N 1 0 285.395 2.463 40 0 CEABRO CC(C)n1nccc1-c1nccnc1CC1CC[NH2+]CC1 ZINC000257255846 190021742 /nfs/dbraw/zinc/02/17/42/190021742.db2.gz KJCBZNZDWCIKPC-UHFFFAOYSA-N 1 0 285.395 2.463 40 0 CEABRO Cn1nccc1-c1cc(C[C@@H]2CCC[N@H+](C)C2)ccn1 ZINC000257286934 190026836 /nfs/dbraw/zinc/02/68/36/190026836.db2.gz PNSFLBKAJFFEJD-AWEZNQCLSA-N 1 0 270.380 2.366 40 0 CEABRO CC1(C)COC(=O)N1c1cccc(CC2CC[NH2+]CC2)n1 ZINC000257315881 190032633 /nfs/dbraw/zinc/03/26/33/190032633.db2.gz VDCGTUJWFIOGME-UHFFFAOYSA-N 1 0 289.379 2.359 40 0 CEABRO O=C1NCCCC12CC[NH+](Cc1ccc(F)cc1)CC2 ZINC000072396056 284874409 /nfs/dbraw/zinc/87/44/09/284874409.db2.gz CDWMFDCOVBKHHU-UHFFFAOYSA-N 1 0 276.355 2.318 40 0 CEABRO CCN(C[C@@H]1CCCCN1CC[NH3+])C(=O)OC(C)(C)C ZINC000079408462 285022434 /nfs/dbraw/zinc/02/24/34/285022434.db2.gz VIFANLNRKDNXMO-ZDUSSCGKSA-N 1 0 285.432 2.057 40 0 CEABRO CC(C)CN1CC2(CC[NH+](Cc3ccncc3)CC2)C1=O ZINC000096202819 256822895 /nfs/dbraw/zinc/82/28/95/256822895.db2.gz RBFHPAAEMPGVKO-UHFFFAOYSA-N 1 0 287.407 2.162 40 0 CEABRO O[C@@H](Cc1ccccc1)C[NH+]1CCN(c2ccccc2)CC1 ZINC000031688613 134758574 /nfs/dbraw/zinc/75/85/74/134758574.db2.gz WTIYVDBHKOAGAR-IBGZPJMESA-N 1 0 296.414 2.412 40 0 CEABRO CC1=C(c2ccc(Cl)cc2)[N+](=O)C(C)(C)N1O ZINC000019331817 394468229 /nfs/dbraw/zinc/46/82/29/394468229.db2.gz YBPIAXHRXGKIAV-UHFFFAOYSA-N 1 0 252.701 2.360 40 0 CEABRO CC(C)(C)OC(=O)N1CCC(C(F)(F)C[NH3+])CC1 ZINC000238149001 394494424 /nfs/dbraw/zinc/49/44/24/394494424.db2.gz JPAFVXCGQPKXSN-UHFFFAOYSA-N 1 0 264.316 2.228 40 0 CEABRO CC[C@H](O)c1ccc(N2CC[NH+](C(C)C)CC2)nc1C ZINC000072224752 394594570 /nfs/dbraw/zinc/59/45/70/394594570.db2.gz FDNAWFAXWDXDKY-HNNXBMFYSA-N 1 0 277.412 2.364 40 0 CEABRO Cc1cccc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3c2ncccn2)n1 ZINC000096064033 394675609 /nfs/dbraw/zinc/67/56/09/394675609.db2.gz JURDHVGAHBNIKR-HOTGVXAUSA-N 1 0 295.390 2.033 40 0 CEABRO Cc1cc(OC[C@@]2(O)CCC[NH2+]C2)cc(C)c1Cl ZINC000405155969 395287311 /nfs/dbraw/zinc/28/73/11/395287311.db2.gz KRPGFAIQLSRXGA-CQSZACIVSA-N 1 0 269.772 2.450 40 0 CEABRO CCOC(C[NH2+]Cc1ccc(OC)cc1)OCC ZINC000001704014 285989360 /nfs/dbraw/zinc/98/93/60/285989360.db2.gz CMSSGXIYTNOYIO-UHFFFAOYSA-N 1 0 253.342 2.184 40 0 CEABRO CC1([NH3+])COP(=O)(Nc2ccc(F)cc2)OC1 ZINC000001709705 169746948 /nfs/dbraw/zinc/74/69/48/169746948.db2.gz MVSCWODUHWZJMZ-UHFFFAOYSA-N 1 0 260.205 2.110 40 0 CEABRO [NH3+]C1CCN(C(=O)c2ccccc2Br)CC1 ZINC000020267661 171123997 /nfs/dbraw/zinc/12/39/97/171123997.db2.gz VXROGHJRILDLSM-UHFFFAOYSA-N 1 0 283.169 2.012 40 0 CEABRO [NH3+]Cc1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 ZINC000022219335 171377417 /nfs/dbraw/zinc/37/74/17/171377417.db2.gz MHXZMCKSHMLWJA-UHFFFAOYSA-N 1 0 274.295 2.302 40 0 CEABRO CC1CCN([C@@H](C[NH3+])c2ccc3c(c2)CCO3)CC1 ZINC000037363610 173153238 /nfs/dbraw/zinc/15/32/38/173153238.db2.gz YVDHXORJDUXSIS-HNNXBMFYSA-N 1 0 260.381 2.353 40 0 CEABRO CC(C)[C@H]1C[NH2+]CCN1C(=O)OCc1ccccc1 ZINC000039952237 174176986 /nfs/dbraw/zinc/17/69/86/174176986.db2.gz OOWXPQWZXLALDC-CQSZACIVSA-N 1 0 262.353 2.253 40 0 CEABRO [NH2+]=C(Nc1ccccc1)Nc1nc2ccccc2c(=O)[nH]1 ZINC000040385328 174251632 /nfs/dbraw/zinc/25/16/32/174251632.db2.gz ISGQKCPKTMMCGS-UHFFFAOYSA-N 1 0 279.303 2.382 40 0 CEABRO O[C@@H]1C[C@H](C2CCCCC2)[C@@H]([NH2+]CC2CCCC2)[C@@H]1O ZINC000072321658 176368718 /nfs/dbraw/zinc/36/87/18/176368718.db2.gz VDPPYPQWYRAEJD-QBPKDAKJSA-N 1 0 281.440 2.457 40 0 biogenic,in-vitro CEABRO O=C(Nc1nccs1)c1cccc([C@@H]2CCC[NH2+]C2)n1 ZINC000072348383 176372957 /nfs/dbraw/zinc/37/29/57/176372957.db2.gz BXRJJJDDRAFRQZ-SNVBAGLBSA-N 1 0 288.376 2.257 40 0 CEABRO C[N@@H+]1CCC[C@H](c2cncc(Nc3ccccn3)n2)C1 ZINC000072354312 176374909 /nfs/dbraw/zinc/37/49/09/176374909.db2.gz IQAMLWZONWLZML-LBPRGKRZSA-N 1 0 269.352 2.424 40 0 CEABRO Cc1cc(NC2CCOCC2)nc([C@@H]2CCC[N@@H+](C)C2)n1 ZINC000072365461 176380527 /nfs/dbraw/zinc/38/05/27/176380527.db2.gz SZONHBDAEGUMNU-CYBMUJFWSA-N 1 0 290.411 2.185 40 0 CEABRO OC1(C[NH+]2CCC(O)(c3cccnc3)CC2)CCCCC1 ZINC000072367426 176381849 /nfs/dbraw/zinc/38/18/49/176381849.db2.gz ZABBCIXBRBYPON-UHFFFAOYSA-N 1 0 290.407 2.060 40 0 CEABRO C[NH+](C)CC(=O)N1CC[C@H](Cc2cccc3cccnc32)C1 ZINC000072368197 176383424 /nfs/dbraw/zinc/38/34/24/176383424.db2.gz FGEIBZDPUROJGW-CQSZACIVSA-N 1 0 297.402 2.187 40 0 CEABRO O=C1CC[C@@H]([NH2+]Cc2ccccn2)[C@H](c2ccccc2F)N1 ZINC000072398316 176396635 /nfs/dbraw/zinc/39/66/35/176396635.db2.gz TVEKVALEZYLTLQ-WBVHZDCISA-N 1 0 299.349 2.330 40 0 CEABRO C[NH2+][C@@H](C)Cc1cc2c(cc1Br)OCO2 ZINC000299817372 419473442 /nfs/dbraw/zinc/47/34/42/419473442.db2.gz ZIBHSZQEEWBQLW-ZETCQYMHSA-N 1 0 272.142 2.328 40 0 in-vitro CEABRO CC[NH+](CC)C[C@@H]1Cn2nccc2CN(C2CCC2)C1 ZINC000248250037 276106689 /nfs/dbraw/zinc/10/66/89/276106689.db2.gz LMUKFVRNOKEITH-AWEZNQCLSA-N 1 0 276.428 2.209 40 0 CEABRO CCO[C@@H]1COC2(C1)CC[NH+](CC1CCOCC1)CC2 ZINC000096048119 276469289 /nfs/dbraw/zinc/46/92/89/276469289.db2.gz VPAYHULQAFSFOH-HNNXBMFYSA-N 1 0 283.412 2.073 40 0 CEABRO CN(C)C(=O)C[C@H]1CC2(CC[NH2+]CC2)Oc2ccccc21 ZINC000306135981 276754073 /nfs/dbraw/zinc/75/40/73/276754073.db2.gz PFQGDSFJZZHETK-ZDUSSCGKSA-N 1 0 288.391 2.153 40 0 CEABRO CC(C)(C)OC(=O)N1CCC([NH2+]C2CCC(=O)CC2)CC1 ZINC000238180611 277181011 /nfs/dbraw/zinc/18/10/11/277181011.db2.gz JVTCOHAFUBUHJK-UHFFFAOYSA-N 1 0 296.411 2.487 40 0 CEABRO COc1ccc2c(c1)C(=O)C[C@H]([C@H]1CCC[NH2+]C1)O2 ZINC000072398078 277942426 /nfs/dbraw/zinc/94/24/26/277942426.db2.gz CPSTVGWSQCSIHA-ZUZCIYMTSA-N 1 0 261.321 2.029 40 0 CEABRO Cc1ccc2c(c1)nc1n2[C@@H](C[NH2+]C(C)C)COC1 ZINC000096112812 281132103 /nfs/dbraw/zinc/13/21/03/281132103.db2.gz NWNURMSFDJWXJB-LBPRGKRZSA-N 1 0 259.353 2.414 40 0 biogenic,in-vitro CEABRO CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@]3(C1)[NH2+]CCC[C@H]23 ZINC000003872828 281697043 /nfs/dbraw/zinc/69/70/43/281697043.db2.gz YYWGABLTRMRUIT-HWWQOWPSSA-N 1 0 256.349 2.092 40 0 biogenic,investigational CEABRO CCCCOCCC[NH2+]Cc1cnc(NCC)nc1 ZINC000062717566 333175865 /nfs/dbraw/zinc/17/58/65/333175865.db2.gz NMEVHQZAJJPNBS-UHFFFAOYSA-N 1 0 266.389 2.205 40 0 CEABRO COc1cccc(C[NH2+]CCNc2nc(C)cc(C)n2)c1 ZINC000062717862 333176011 /nfs/dbraw/zinc/17/60/11/333176011.db2.gz ACDWWLLLMFRHNN-UHFFFAOYSA-N 1 0 286.379 2.304 40 0 CEABRO C[NH2+]C[C@H]1C[C@H]1c1c(OC)cc(OC)cc1OC ZINC000054588959 522097578 /nfs/dbraw/zinc/09/75/78/522097578.db2.gz GVUDXUPKTVRUKO-MWLCHTKSSA-N 1 0 251.326 2.035 40 0 CEABRO Fc1ccc(-c2ccc3nnc(C4CC[NH2+]CC4)n3n2)cc1 ZINC000058021804 526314470 /nfs/dbraw/zinc/31/44/70/526314470.db2.gz OZGJUJZQRXGRDD-UHFFFAOYSA-N 1 0 297.337 2.397 40 0 CEABRO [NH3+][C@@H](Cc1ccccc1)c1nnc(-c2ccc(O)cc2)[nH]1 ZINC000095534848 185008026 /nfs/dbraw/zinc/00/80/26/185008026.db2.gz ZYSYUSDORFFEJK-AWEZNQCLSA-N 1 0 280.331 2.420 40 0 CEABRO OC[C@@H]1C[N@H+](Cc2ccccc2)CCN1Cc1ccccc1 ZINC000095829840 185029218 /nfs/dbraw/zinc/02/92/18/185029218.db2.gz SOUPGWGAPDMYFM-IBGZPJMESA-N 1 0 296.414 2.365 40 0 CEABRO COC[C@]12CCCO[C@H]1CC[N@H+](Cc1ccoc1)C2 ZINC000096038973 185069579 /nfs/dbraw/zinc/06/95/79/185069579.db2.gz RPAIPOFUMNRCFZ-LSDHHAIUSA-N 1 0 265.353 2.297 40 0 CEABRO CC[N@@H+]1CCOC[C@]2(CCCN(Cc3ccncc3)C2)C1 ZINC000096049601 185072315 /nfs/dbraw/zinc/07/23/15/185072315.db2.gz ROSWHBLOMLYGJU-QGZVFWFLSA-N 1 0 289.423 2.016 40 0 CEABRO O=C1CC[C@]2(CCC[N@H+](Cc3ccsc3)CC2)N1 ZINC000096047441 185073092 /nfs/dbraw/zinc/07/30/92/185073092.db2.gz HMSWASPJGMMJLA-AWEZNQCLSA-N 1 0 264.394 2.383 40 0 CEABRO CCO[C@@H]1COC2(C1)CC[NH+](Cc1ccncc1)CC2 ZINC000096048107 185073206 /nfs/dbraw/zinc/07/32/06/185073206.db2.gz JPGOAQWCYBOEQZ-HNNXBMFYSA-N 1 0 276.380 2.242 40 0 CEABRO CC(C)N1CCO[C@H]2C[N@H+](Cc3cccs3)C[C@H]21 ZINC000096054274 185076200 /nfs/dbraw/zinc/07/62/00/185076200.db2.gz LIWBDFGQWLSTSF-KGLIPLIRSA-N 1 0 266.410 2.042 40 0 CEABRO CCOC[C@@]12CCCO[C@@H]1CC[N@H+](Cc1ccncc1)C2 ZINC000096056811 185077362 /nfs/dbraw/zinc/07/73/62/185077362.db2.gz PBORYDSXKKSBKD-SJORKVTESA-N 1 0 290.407 2.489 40 0 CEABRO CCOC[C@@]12CCCO[C@H]1CC[N@H+](Cc1cccnc1)C2 ZINC000096056809 185078115 /nfs/dbraw/zinc/07/81/15/185078115.db2.gz QGEMVTUHWNOLFE-IRXDYDNUSA-N 1 0 290.407 2.489 40 0 CEABRO c1coc(C[NH2+]C[C@@H]2OCCc3cn(CC4CC4)nc32)c1 ZINC000096059739 185080134 /nfs/dbraw/zinc/08/01/34/185080134.db2.gz DYEIHLPFXBQAMZ-HNNXBMFYSA-N 1 0 287.363 2.290 40 0 CEABRO CCN1C(=O)CC[C@@]12CCC[N@H+](Cc1ccncc1)CC2 ZINC000096071916 185086898 /nfs/dbraw/zinc/08/68/98/185086898.db2.gz BCPMJYLFIDKZIJ-QGZVFWFLSA-N 1 0 287.407 2.449 40 0 CEABRO O=C(Nc1ccc2c(c1)CCC2)C1=NOC2(C1)CC[NH2+]CC2 ZINC000096088450 185093758 /nfs/dbraw/zinc/09/37/58/185093758.db2.gz JMBCHMWOLHZVOU-UHFFFAOYSA-N 1 0 299.374 2.012 40 0 CEABRO CCOC[C@H]1CC2(CO1)CC[NH+](Cc1ccccn1)CC2 ZINC000096105871 185099042 /nfs/dbraw/zinc/09/90/42/185099042.db2.gz IKIYZMSZWYBCNA-MRXNPFEDSA-N 1 0 290.407 2.489 40 0 CEABRO Cc1ccc(C[N@@H+]2C[C@@H]3COC[C@]3(COCC3CC3)C2)o1 ZINC000096108714 185099494 /nfs/dbraw/zinc/09/94/94/185099494.db2.gz USAAWORXHJYMBS-NVXWUHKLSA-N 1 0 291.391 2.463 40 0 CEABRO C[NH+]1CCC2(CC[C@@H](C(=O)NCc3cccs3)O2)CC1 ZINC000096110003 185099592 /nfs/dbraw/zinc/09/95/92/185099592.db2.gz OVCNHFQFPGHDKH-ZDUSSCGKSA-N 1 0 294.420 2.008 40 0 CEABRO CC(C)[C@H]([NH3+])C(=O)N(C)Cc1ccc(Cl)cc1 ZINC000037804925 361945901 /nfs/dbraw/zinc/94/59/01/361945901.db2.gz LMTDAHXEYNDAOY-LBPRGKRZSA-N 1 0 254.761 2.282 40 0 CEABRO CC(C)c1ccccc1S(=O)(=O)C1CC[NH2+]CC1 ZINC000199774022 539185263 /nfs/dbraw/zinc/18/52/63/539185263.db2.gz WNVJONXKTFOELV-UHFFFAOYSA-N 1 0 267.394 2.336 40 0 CEABRO CC(C)(C)OC(=O)N1C[C@H](C(F)(F)F)[C@](C)([NH3+])C1 ZINC000199768269 539185363 /nfs/dbraw/zinc/18/53/63/539185363.db2.gz GPPSLMHYVAPNFI-OIBJUYFYSA-N 1 0 268.279 2.133 40 0 CEABRO CC[NH+]1CCN(c2ccc3cccc(O)c3n2)CC1 ZINC000041669466 362046100 /nfs/dbraw/zinc/04/61/00/362046100.db2.gz GZEUFZYJIYOPTR-UHFFFAOYSA-N 1 0 257.337 2.082 40 0 CEABRO Cc1nc(C)c(C(=O)NCC[N@H+]2C[C@H](C)C[C@H](C)C2)s1 ZINC000046882135 362189553 /nfs/dbraw/zinc/18/95/53/362189553.db2.gz RKGHATGFEOVQIO-PHIMTYICSA-N 1 0 295.452 2.468 40 0 CEABRO CN1CCC([N@@H+]2CC[C@H](c3nnc(C(C)(C)C)o3)C2)CC1 ZINC000049170648 362344442 /nfs/dbraw/zinc/34/44/42/362344442.db2.gz ZUIGYIUMPQDQQD-LBPRGKRZSA-N 1 0 292.427 2.251 40 0 biogenic,in-vitro CEABRO COc1cc(OC)c([C@@H]2C[C@H]2[C@H](C)[NH3+])c(OC)c1 ZINC000108350510 344265273 /nfs/dbraw/zinc/26/52/73/344265273.db2.gz DWPAOPGTQTXRQL-INTQDDNPSA-N 1 0 251.326 2.163 40 0 CEABRO CC(C)CC[N@@H+]1C[C@@H]2CN(c3ncccn3)CC[C@H]21 ZINC000585107984 345006079 /nfs/dbraw/zinc/00/60/79/345006079.db2.gz PYXNWZCQMGQFSB-ZIAGYGMSSA-N 1 0 260.385 2.033 40 0 CEABRO Cc1cccc(OC[C@@]2(O)CC[N@H+](Cc3ccccn3)C2)c1 ZINC000585268935 345009366 /nfs/dbraw/zinc/00/93/66/345009366.db2.gz 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[NH3+]C[C@H](c1ccc(Cl)c(Cl)c1)N1CCOCC1 ZINC000019257201 361522770 /nfs/dbraw/zinc/52/27/70/361522770.db2.gz FPZBEIKKHBJYEH-GFCCVEGCSA-N 1 0 275.179 2.325 40 0 CEABRO c1cncc(CN2CC[NH+]([C@@H]3C[C@H]4CC[C@@H]3C4)CC2)c1 ZINC000022922806 361590023 /nfs/dbraw/zinc/59/00/23/361590023.db2.gz UAVRMXCIFDPFTP-USXIJHARSA-N 1 0 271.408 2.388 40 0 CEABRO COC(=O)[C@@H](C[NH3+])c1c[nH]c2cc(Cl)ccc21 ZINC000027762392 361659183 /nfs/dbraw/zinc/65/91/83/361659183.db2.gz QVUWSAQECIFTMS-VIFPVBQESA-N 1 0 252.701 2.037 40 0 CEABRO C[N@@H+]1CC[C@@]23CC(=O)CC[C@@H]2[C@@H]1Cc1ccc(O)cc13 ZINC000029221936 361682627 /nfs/dbraw/zinc/68/26/27/361682627.db2.gz DRLCTBKVUWSSIT-HYVNUMGLSA-N 1 0 271.360 2.259 40 0 biogenic,in-vitro CEABRO COc1ccc(-c2nnc([C@@H]3CCC[NH2+]C3)o2)cc1 ZINC000032110958 361728601 /nfs/dbraw/zinc/72/86/01/361728601.db2.gz YXCQGWXODROUFS-LLVKDONJSA-N 1 0 259.309 2.212 40 0 CEABRO Cc1nc(CO[C@H]2C[N@@H+](C(C)C)[C@@H]3COC[C@H]23)cs1 ZINC000096185092 364407366 /nfs/dbraw/zinc/40/73/66/364407366.db2.gz 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/nfs/dbraw/zinc/41/45/16/364414516.db2.gz IIXRSHWVXRQTTH-WBVHZDCISA-N 1 0 288.391 2.326 40 0 CEABRO CCC1=N[C@@]2(CC[C@@H]3C[N@H+](CC4CC4)C[C@@H]32)C(=O)N1CC ZINC000096261620 364418791 /nfs/dbraw/zinc/41/87/91/364418791.db2.gz YFIOEZLKLJSAGW-JKIFEVAISA-N 1 0 289.423 2.148 40 0 CEABRO C[N@@H+]1CC[C@@]2(CCN(C(=O)C3CCCCC3)C2)C1 ZINC000096268645 364420328 /nfs/dbraw/zinc/42/03/28/364420328.db2.gz RLWOFVCKJCIBQM-OAHLLOKOSA-N 1 0 250.386 2.121 40 0 CEABRO C[C@@]1(C(F)(F)F)CN(Cc2ccccc2)C[C@@H]1[NH3+] ZINC000199548668 189683534 /nfs/dbraw/zinc/68/35/34/189683534.db2.gz CZGZLVAKCFYPMR-NWDGAFQWSA-N 1 0 258.287 2.398 40 0 CEABRO CN1C(=O)CC[C@@]12CCC[N@H+](Cc1nccs1)CC2 ZINC000585100517 367178055 /nfs/dbraw/zinc/17/80/55/367178055.db2.gz LWMQWFQFXKEOQY-CQSZACIVSA-N 1 0 279.409 2.120 40 0 CEABRO CC(C)Cc1ccc(C[NH2+]C[C@H]2CCCO2)n1C ZINC000226020151 189768593 /nfs/dbraw/zinc/76/85/93/189768593.db2.gz VMOOBVGVACAWIY-OAHLLOKOSA-N 1 0 250.386 2.492 40 0 CEABRO C1=C[C@@H]2C[C@H]1C[C@@H]2C[NH+]1CCN(Cc2ccccn2)CC1 ZINC000222216155 370251829 /nfs/dbraw/zinc/25/18/29/370251829.db2.gz YTCPQGGPLXYDOA-GVDBMIGSSA-N 1 0 283.419 2.411 40 0 CEABRO O=C(Cc1ccccc1F)NCCC[NH+]1CCCCC1 ZINC000225446433 370295392 /nfs/dbraw/zinc/29/53/92/370295392.db2.gz CRSKTNDYWGUDEK-UHFFFAOYSA-N 1 0 278.371 2.360 40 0 CEABRO c1ccc(OC[C@H]2C[C@@H]3[C@H](C2)OCC[N@@H+]3CC2CC2)nc1 ZINC000253591453 371530597 /nfs/dbraw/zinc/53/05/97/371530597.db2.gz NMVZUPDNUAFYQR-XHSDSOJGSA-N 1 0 288.391 2.350 40 0 CEABRO Cc1nc[nH]c1C[N@@H+](C)[C@H]1CCCN(c2ccccn2)C1 ZINC000257340000 371612733 /nfs/dbraw/zinc/61/27/33/371612733.db2.gz ZECFXKAJGDEBSU-AWEZNQCLSA-N 1 0 285.395 2.214 40 0 CEABRO CC(C)(C)c1csc(NC(=O)NC[C@H]2CCC[NH2+]2)n1 ZINC000333089016 205021304 /nfs/dbraw/zinc/02/13/04/205021304.db2.gz CCNAEBOYWSTLDZ-SECBINFHSA-N 1 0 282.413 2.314 40 0 CEABRO CNC(=O)C[N@@H+]1CCC[C@H](Cc2cnc3ccccc3c2)C1 ZINC000257205985 190011800 /nfs/dbraw/zinc/01/18/00/190011800.db2.gz BBJWOAOUPSJHQM-CQSZACIVSA-N 1 0 297.402 2.235 40 0 CEABRO OCC[NH+]1CCC(c2ccnc(Nc3ccccn3)c2)CC1 ZINC000257228482 190015993 /nfs/dbraw/zinc/01/59/93/190015993.db2.gz FUBJJLQLLNTLGP-UHFFFAOYSA-N 1 0 298.390 2.392 40 0 CEABRO c1ncc(C[N@@H+]2CCC[C@@H](c3ccc4c[nH]nc4n3)C2)[nH]1 ZINC000257221437 190014373 /nfs/dbraw/zinc/01/43/73/190014373.db2.gz DPAAJBHTMBUVFJ-GFCCVEGCSA-N 1 0 282.351 2.061 40 0 CEABRO CC(C)n1cc(-c2cncc(C[C@H]3CCC[NH2+]C3)n2)cn1 ZINC000257220992 190014854 /nfs/dbraw/zinc/01/48/54/190014854.db2.gz DNCWQNAPVWVUHW-CYBMUJFWSA-N 1 0 285.395 2.463 40 0 CEABRO CCN(CC[NH+](C)C)Cc1cnc([C@H]2CCCCO2)nc1 ZINC000257254577 190020432 /nfs/dbraw/zinc/02/04/32/190020432.db2.gz KDSOIRGQFAFWRC-OAHLLOKOSA-N 1 0 292.427 2.102 40 0 CEABRO O=C(CCc1cccnc1)N1CCC[C@H]2[NH2+]CCCC[C@@H]21 ZINC000257264921 190022864 /nfs/dbraw/zinc/02/28/64/190022864.db2.gz LWNOXRGBDXOIIF-CVEARBPZSA-N 1 0 287.407 2.147 40 0 CEABRO Cn1nccc1-c1cc(CC2CC[NH+](C)CC2)ccn1 ZINC000257257763 190021910 /nfs/dbraw/zinc/02/19/10/190021910.db2.gz KQYZNILWAAUWHO-UHFFFAOYSA-N 1 0 270.380 2.366 40 0 CEABRO Cc1cc(C)nc([C@H]2CC[N@@H+](Cc3cccn3C)C2)n1 ZINC000257260438 190022529 /nfs/dbraw/zinc/02/25/29/190022529.db2.gz LCVKBGBIUWNSJL-AWEZNQCLSA-N 1 0 270.380 2.421 40 0 CEABRO CC(C)[N@@H+]1CCC[C@H](c2cnc(-c3cn[nH]c3)cn2)C1 ZINC000257279703 190025887 /nfs/dbraw/zinc/02/58/87/190025887.db2.gz OHUIMLUBNLNZBO-LBPRGKRZSA-N 1 0 271.368 2.455 40 0 CEABRO COc1cccc(C[C@@H]2CC3(CO2)CC[NH2+]CC3)c1 ZINC000257288478 190026687 /nfs/dbraw/zinc/02/66/87/190026687.db2.gz PUIQDMCCKPKOIW-OAHLLOKOSA-N 1 0 261.365 2.396 40 0 CEABRO CNc1cc([C@H]2CCC[N@@H+]2CC2CCOCC2)nc(C)n1 ZINC000257288972 190027520 /nfs/dbraw/zinc/02/75/20/190027520.db2.gz PWLYWPSSTHRCJN-OAHLLOKOSA-N 1 0 290.411 2.390 40 0 CEABRO Cc1cc(C)nc(Nc2cc(C)nc([C@H]3CC[NH2+]C3)n2)n1 ZINC000257292830 190027997 /nfs/dbraw/zinc/02/79/97/190027997.db2.gz QNCMMZINIAFNJZ-LBPRGKRZSA-N 1 0 284.367 2.012 40 0 CEABRO Cc1cccnc1Nc1nccnc1[C@@H]1CCC[NH2+]C1 ZINC000257289051 190028079 /nfs/dbraw/zinc/02/80/79/190028079.db2.gz PWTTZHDMGIAYHP-GFCCVEGCSA-N 1 0 269.352 2.391 40 0 CEABRO O[C@H]1CC[N@H+](CCCc2ccccc2)C[C@@]12CCCO2 ZINC000257308248 190031372 /nfs/dbraw/zinc/03/13/72/190031372.db2.gz TVZZFGYRCXBEKW-IRXDYDNUSA-N 1 0 275.392 2.235 40 0 CEABRO Cc1nc(-c2ccnn2C)cc([C@H]2CCCC[NH2+]2)n1 ZINC000257341441 190036935 /nfs/dbraw/zinc/03/69/35/190036935.db2.gz ZKIUKIHBNXSSTH-LLVKDONJSA-N 1 0 257.341 2.000 40 0 CEABRO O=C(N[C@@H]1CC[NH2+]CC[C@H]1F)OCc1ccccc1 ZINC000261508636 190040248 /nfs/dbraw/zinc/04/02/48/190040248.db2.gz VLEBJDUSYLRIHB-CHWSQXEVSA-N 1 0 266.316 2.003 40 0 CEABRO OCC[C@@H]1C[NH2+]Cc2c(Br)cccc21 ZINC000095868222 285264452 /nfs/dbraw/zinc/26/44/52/285264452.db2.gz UGKRIEQXVISJOZ-MRVPVSSYSA-N 1 0 256.143 2.018 40 0 CEABRO CCOC1CC2(C1)CC[NH+](Cc1nccn1C)CC2 ZINC000096159284 256813752 /nfs/dbraw/zinc/81/37/52/256813752.db2.gz NMFKHAVRIITMQA-UHFFFAOYSA-N 1 0 263.385 2.201 40 0 CEABRO Cc1nc(CO[C@H]2C[N@H+](CC3CC3)[C@@H]3COC[C@H]23)cs1 ZINC000096185093 256814807 /nfs/dbraw/zinc/81/48/07/256814807.db2.gz YSBSZZSYXVCXEG-ZNMIVQPWSA-N 1 0 294.420 2.077 40 0 CEABRO C[N@@H+]1CC[C@@]2(CN(Cc3cccnc3)c3cccnc32)C1 ZINC000306130304 394513591 /nfs/dbraw/zinc/51/35/91/394513591.db2.gz JBYCANWEQZACIQ-KRWDZBQOSA-N 1 0 280.375 2.070 40 0 CEABRO Cc1cccc(C[N@@H+]2CC[C@@H]3[C@H]2CCN3c2ncccn2)n1 ZINC000306131009 394513867 /nfs/dbraw/zinc/51/38/67/394513867.db2.gz JURDHVGAHBNIKR-HZPDHXFCSA-N 1 0 295.390 2.033 40 0 CEABRO CCOCCC[NH2+]Cc1cnc(SCC)nc1 ZINC000062717295 394571034 /nfs/dbraw/zinc/57/10/34/394571034.db2.gz VYUFBCGWVBKDAH-UHFFFAOYSA-N 1 0 255.387 2.105 40 0 CEABRO CC[C@H](O)c1cnc(N2CC[NH+](C(C)C)CC2)c(C)c1 ZINC000072222665 394594582 /nfs/dbraw/zinc/59/45/82/394594582.db2.gz XHLZINDWRZCOCH-HNNXBMFYSA-N 1 0 277.412 2.364 40 0 CEABRO Cc1cncc([C@H]2CCC[N@@H+]2CC2CCOCC2)n1 ZINC000257344607 394595367 /nfs/dbraw/zinc/59/53/67/394595367.db2.gz ZXYXYUQNIJUPIF-OAHLLOKOSA-N 1 0 261.369 2.349 40 0 CEABRO CC(C)[N@@H+]1CCC[C@@H](c2cnc(-c3cnn(C)c3)cn2)C1 ZINC000257288349 394595501 /nfs/dbraw/zinc/59/55/01/394595501.db2.gz PTWLGKGKEVWEGK-CYBMUJFWSA-N 1 0 285.395 2.465 40 0 CEABRO CC(C)COC(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000096157169 394677129 /nfs/dbraw/zinc/67/71/29/394677129.db2.gz OSIGQELHCHLFOF-UHFFFAOYSA-N 1 0 254.374 2.245 40 0 CEABRO CC[C@H]([C@H]([NH3+])c1cccc(C)c1)S(=O)(=O)CC ZINC000096524978 394697180 /nfs/dbraw/zinc/69/71/80/394697180.db2.gz HSJZMKMGKGROBG-CHWSQXEVSA-N 1 0 255.383 2.208 40 0 CEABRO CC[C@H]([C@@H]([NH3+])c1ccc(Cl)cc1)S(C)(=O)=O ZINC000096524878 394697222 /nfs/dbraw/zinc/69/72/22/394697222.db2.gz BWOXVNSBUYJWPU-MNOVXSKESA-N 1 0 261.774 2.163 40 0 CEABRO CC[C@H]([C@H]([NH3+])c1cccc(F)c1)S(=O)(=O)CC ZINC000096524964 394697489 /nfs/dbraw/zinc/69/74/89/394697489.db2.gz CWRWGXOIIGZXRM-VXGBXAGGSA-N 1 0 259.346 2.039 40 0 CEABRO [NH3+][C@H]1CC[C@H](NC(=O)c2cccc(Br)c2)CC1 ZINC000255189293 400316854 /nfs/dbraw/zinc/31/68/54/400316854.db2.gz OYWYYMCGGOKTGL-HAQNSBGRSA-N 1 0 297.196 2.449 40 0 CEABRO CC(C)n1nccc1C(=O)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000257224895 400317268 /nfs/dbraw/zinc/31/72/68/400317268.db2.gz FDVXSXRAXSAMNH-MRXNPFEDSA-N 1 0 298.390 2.251 40 0 CEABRO C[C@@H]([NH2+]C[C@@H](O)CC1CCCC1)c1cnn(C)c1 ZINC000332306090 154217839 /nfs/dbraw/zinc/21/78/39/154217839.db2.gz JLIHSZZEZPONLG-RISCZKNCSA-N 1 0 251.374 2.012 40 0 CEABRO CC[NH+](CC)C[C@@H](C)N1C(=O)c2ccccc2C1=O ZINC000005509475 170105826 /nfs/dbraw/zinc/10/58/26/170105826.db2.gz RGFKOOZRPSXRKG-LLVKDONJSA-N 1 0 260.337 2.013 40 0 CEABRO C[NH+](C)CC(C)(C)CNC(=S)N[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC000006330005 170191918 /nfs/dbraw/zinc/19/19/18/170191918.db2.gz QXWKTLTXGHRKLT-YNEHKIRRSA-N 1 0 283.485 2.227 40 0 CEABRO COc1cc(C[NH2+]CCO)ccc1OCc1cccs1 ZINC000008113948 170319244 /nfs/dbraw/zinc/31/92/44/170319244.db2.gz CNZIBABAFPCHTM-UHFFFAOYSA-N 1 0 293.388 2.418 40 0 CEABRO CC[C@@](O)(c1cccc(OC)c1)[C@H](C)C[NH+](C)C ZINC000033979437 171828390 /nfs/dbraw/zinc/82/83/90/171828390.db2.gz PZNRRUTVGXCKFC-DOMZBBRYSA-N 1 0 251.370 2.491 40 0 CEABRO Cc1ccc([C@H](C[NH3+])N2C[C@@H](C)O[C@H](C)C2)cc1C ZINC000037179895 173013144 /nfs/dbraw/zinc/01/31/44/173013144.db2.gz CMKDMFWNQQCGKG-FMKPAKJESA-N 1 0 262.397 2.412 40 0 CEABRO O=C(NC1CC[NH2+]CC1)c1ccc(Cl)cc1Cl ZINC000037382809 173168036 /nfs/dbraw/zinc/16/80/36/173168036.db2.gz GKYXWZGLTMFYCX-UHFFFAOYSA-N 1 0 273.163 2.475 40 0 CEABRO Clc1ccc2ncn(CC[NH+]3CCCC3)c2n1 ZINC000038538646 174145302 /nfs/dbraw/zinc/14/53/02/174145302.db2.gz JLWUCEQAGBQQAV-UHFFFAOYSA-N 1 0 250.733 2.181 40 0 CEABRO [NH3+][C@H]1CCCN(Cc2ccc(Br)s2)C1 ZINC000038539950 174145439 /nfs/dbraw/zinc/14/54/39/174145439.db2.gz UFMSZIOUQWOXDI-QMMMGPOBSA-N 1 0 275.215 2.434 40 0 CEABRO COc1cc(C2CC[NH2+]CC2)cc(OC)c1OC ZINC000038539237 174145571 /nfs/dbraw/zinc/14/55/71/174145571.db2.gz QFWHFVKBLJMNNP-UHFFFAOYSA-N 1 0 251.326 2.179 40 0 CEABRO CC(C)NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000038832181 174157167 /nfs/dbraw/zinc/15/71/67/174157167.db2.gz YLMKBINVCFQWPO-OAHLLOKOSA-N 1 0 260.381 2.423 40 0 CEABRO Brc1cccnc1OC[C@H]1CCC[NH2+]C1 ZINC000051883236 175526735 /nfs/dbraw/zinc/52/67/35/175526735.db2.gz GVJUGQNJCIHMBO-VIFPVBQESA-N 1 0 271.158 2.223 40 0 CEABRO COc1ccc(CCC(=O)NCCC[NH+]2CCCC2)cc1 ZINC000061547728 175650278 /nfs/dbraw/zinc/65/02/78/175650278.db2.gz HSFSUJYJATVTMA-UHFFFAOYSA-N 1 0 290.407 2.230 40 0 CEABRO Cc1nc([C@H]2CCC[N@@H+]2C2CCCCC2)ncc1C(N)=O ZINC000072345420 176372964 /nfs/dbraw/zinc/37/29/64/176372964.db2.gz NKZPAILZPDZDOF-CQSZACIVSA-N 1 0 288.395 2.354 40 0 CEABRO CC(C)c1nccn1-c1nccnc1[C@H]1CCC[NH2+]1 ZINC000072356392 176375594 /nfs/dbraw/zinc/37/55/94/176375594.db2.gz OCDMERXEASPHHG-LLVKDONJSA-N 1 0 257.341 2.210 40 0 CEABRO OCC[N@@H+]1CCC[C@@H](c2cncc(Oc3ccccc3)n2)C1 ZINC000072361617 176377899 /nfs/dbraw/zinc/37/78/99/176377899.db2.gz OXPKOGYPFIZBQL-CQSZACIVSA-N 1 0 299.374 2.441 40 0 CEABRO Nc1ccc(-c2cc(C[C@@H]3CCC[NH2+]CC3)ncn2)cn1 ZINC000072364782 176379949 /nfs/dbraw/zinc/37/99/49/176379949.db2.gz YBCVPTQOWRBLOB-GFCCVEGCSA-N 1 0 283.379 2.053 40 0 CEABRO CNC(=O)CCc1cc(C)nc([C@H]2CCC[N@@H+]2C(C)C)n1 ZINC000072366556 176381693 /nfs/dbraw/zinc/38/16/93/176381693.db2.gz AJBRTMRCCITECS-CQSZACIVSA-N 1 0 290.411 2.009 40 0 CEABRO COc1ccc(OCCc2cc([C@@H]3CC[NH2+]C3)[nH]n2)cc1 ZINC000072374095 176385339 /nfs/dbraw/zinc/38/53/39/176385339.db2.gz VODKTFDSFFEVAH-GFCCVEGCSA-N 1 0 287.363 2.117 40 0 CEABRO Cc1cc(Nc2ncccn2)nc([C@H]2CCCC[NH2+]2)n1 ZINC000072380751 176387134 /nfs/dbraw/zinc/38/71/34/176387134.db2.gz VDUQJVYQGPNXNB-LLVKDONJSA-N 1 0 270.340 2.133 40 0 CEABRO CNc1ccc(C[C@H]2CCC[N@H+](Cc3ccncc3)C2)nn1 ZINC000072387306 176392635 /nfs/dbraw/zinc/39/26/35/176392635.db2.gz GNELTGSHCDFXEZ-OAHLLOKOSA-N 1 0 297.406 2.368 40 0 CEABRO CC(C)C[N@@H+]1CCC[C@H](c2[nH]nc3nccnc32)C1 ZINC000072395872 176394432 /nfs/dbraw/zinc/39/44/32/176394432.db2.gz BXLJATFNJHXGPX-NSHDSACASA-N 1 0 259.357 2.188 40 0 CEABRO CO[C@H]1COCC[N@H+](Cc2cn(C)c3ccccc23)C1 ZINC000077265966 177247569 /nfs/dbraw/zinc/24/75/69/177247569.db2.gz BVLITXVTOZYOQD-CQSZACIVSA-N 1 0 274.364 2.026 40 0 biogenic,in-vitro CEABRO CC(C)(C)OC(=O)N(C1CC1)[C@@H]1CCCC[C@@H]1[NH2+]CCO ZINC000079408248 177480673 /nfs/dbraw/zinc/48/06/73/177480673.db2.gz QPHIDKJEKGGRLO-UONOGXRCSA-N 1 0 298.427 2.279 40 0 CEABRO [NH3+]C[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000228905726 260316650 /nfs/dbraw/zinc/31/66/50/260316650.db2.gz OTQDOZSDVVKALL-GFCCVEGCSA-N 1 0 258.287 2.400 40 0 CEABRO CNC(=O)C[C@H]1CC2(CC[NH2+]CC2)c2cc(F)ccc21 ZINC000096241814 265345825 /nfs/dbraw/zinc/34/58/25/265345825.db2.gz VGGQDDIHNLZUCN-NSHDSACASA-N 1 0 276.355 2.070 40 0 CEABRO Brc1ccc2c(c1)CC[C@]21COCC[NH2+]1 ZINC000306145911 275371373 /nfs/dbraw/zinc/37/13/73/275371373.db2.gz VLUSSUHONDIFOD-LBPRGKRZSA-N 1 0 268.154 2.210 40 0 CEABRO Brc1cccc(N[C@@H]2CCC[NH2+]C2)n1 ZINC000040434966 275373332 /nfs/dbraw/zinc/37/33/32/275373332.db2.gz VUMVMDPFZPIMQH-MRVPVSSYSA-N 1 0 256.147 2.008 40 0 CEABRO CC[NH+](CC)CCCNC(=O)NC1CCCCC1 ZINC000006205161 279098028 /nfs/dbraw/zinc/09/80/28/279098028.db2.gz XWMBLSSCFSGTFB-UHFFFAOYSA-N 1 0 255.406 2.350 40 0 CEABRO Cc1cc(-c2cc([C@@H]3CCC[N@@H+](C)C3)nc(C)n2)n[nH]1 ZINC000257205134 280284352 /nfs/dbraw/zinc/28/43/52/280284352.db2.gz AXVASQYIWWRRGM-GFCCVEGCSA-N 1 0 271.368 2.293 40 0 CEABRO Cc1cc(-c2cc([C@H]3CCC[N@@H+](C)C3)nc(C)n2)n[nH]1 ZINC000257205135 280284496 /nfs/dbraw/zinc/28/44/96/280284496.db2.gz AXVASQYIWWRRGM-LBPRGKRZSA-N 1 0 271.368 2.293 40 0 CEABRO C[NH2+]C[C@@H](OC(C)C)c1ccc(OC)cc1OC ZINC000062711662 522036049 /nfs/dbraw/zinc/03/60/49/522036049.db2.gz ZBKJVBGFVKTAHP-CQSZACIVSA-N 1 0 253.342 2.389 40 0 CEABRO C[NH2+]C[C@@H]1C[C@@H]1c1c(OC)cc(OC)cc1OC ZINC000054588953 522062011 /nfs/dbraw/zinc/06/20/11/522062011.db2.gz GVUDXUPKTVRUKO-ONGXEEELSA-N 1 0 251.326 2.035 40 0 CEABRO C[NH2+]C[C@H](OC(C)C)c1cc(OC)ccc1OC ZINC000062711649 522076393 /nfs/dbraw/zinc/07/63/93/522076393.db2.gz LTDSGUYSSGKLSC-AWEZNQCLSA-N 1 0 253.342 2.389 40 0 CEABRO CC(C)[N@H+](C1CCCCC1)[C@@H]1CNCC[C@]1(C)O ZINC000685936215 570388458 /nfs/dbraw/zinc/38/84/58/570388458.db2.gz KQGQPKSUPVGZKW-CABCVRRESA-N 1 0 254.418 2.142 40 0 CEABRO COC[C@@]12CCCO[C@H]1CC[N@H+](Cc1ccoc1)C2 ZINC000096038972 185069275 /nfs/dbraw/zinc/06/92/75/185069275.db2.gz RPAIPOFUMNRCFZ-GJZGRUSLSA-N 1 0 265.353 2.297 40 0 CEABRO c1coc(CN2CC3(C2)CC[N@H+](Cc2ccncc2)C3)c1 ZINC000096046425 185071637 /nfs/dbraw/zinc/07/16/37/185071637.db2.gz CNLLBLBSJPVRCB-UHFFFAOYSA-N 1 0 283.375 2.383 40 0 CEABRO Cc1nnc([C@@H]2C[C@H]3C[N@H+](Cc4ccc(C)cc4)C[C@H]3O2)[nH]1 ZINC000096045875 185071809 /nfs/dbraw/zinc/07/18/09/185071809.db2.gz CBISIMXLTWJMNE-HRCADAONSA-N 1 0 298.390 2.384 40 0 CEABRO c1cncc(O[C@@H]2CO[C@]3(C2)CCC[N@@H+](CC2CC2)C3)c1 ZINC000096048281 185072493 /nfs/dbraw/zinc/07/24/93/185072493.db2.gz ZBFMLLPEFXQEAR-IRXDYDNUSA-N 1 0 288.391 2.494 40 0 CEABRO CN1C(=O)CCC[C@@]12CCC[N@H+](Cc1ccco1)C2 ZINC000096049947 185074190 /nfs/dbraw/zinc/07/41/90/185074190.db2.gz GGAZXMHGTBQHDT-HNNXBMFYSA-N 1 0 262.353 2.257 40 0 CEABRO O=C1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2ccccn2)N1CC1CC1 ZINC000096056549 185077587 /nfs/dbraw/zinc/07/75/87/185077587.db2.gz RJAJISDRUPJLMO-HZPDHXFCSA-N 1 0 285.391 2.057 40 0 CEABRO COCc1cncc2c1CC[N@H+](Cc1ccncc1)C2 ZINC000096059262 185078523 /nfs/dbraw/zinc/07/85/23/185078523.db2.gz OUCYSONWAXWRAQ-UHFFFAOYSA-N 1 0 269.348 2.181 40 0 CEABRO C(O[C@@H]1CC[C@H]2[C@H]1OCC[N@@H+]2CC1CC1)C1CCOCC1 ZINC000096057949 185079294 /nfs/dbraw/zinc/07/92/94/185079294.db2.gz RFTOJAIRTOXMAK-GVDBMIGSSA-N 1 0 295.423 2.071 40 0 CEABRO COC[C@H]1C[N@H+](CC2CC2)Cc2nn(CC3CC3)cc21 ZINC000096060465 185080079 /nfs/dbraw/zinc/08/00/79/185080079.db2.gz XRHAUKRBIMBTAP-CQSZACIVSA-N 1 0 275.396 2.249 40 0 CEABRO Cc1ccc(C[N@@H+]2CC[C@@H](O)[C@@H]2Cc2cccnc2)o1 ZINC000096061602 185082604 /nfs/dbraw/zinc/08/26/04/185082604.db2.gz RYIKOVHHJPAZBX-JKSUJKDBSA-N 1 0 272.348 2.161 40 0 CEABRO CC(C)[N@@H+]1CCC[C@@]2(CCN(Cc3ccncc3)C2=O)C1 ZINC000096074019 185088234 /nfs/dbraw/zinc/08/82/34/185088234.db2.gz VHUSUEASKPTLBN-QGZVFWFLSA-N 1 0 287.407 2.305 40 0 CEABRO F[C@H]1CC[NH2+]C[C@@]12CCN(Cc1ccsc1)C2 ZINC000096078747 185089490 /nfs/dbraw/zinc/08/94/90/185089490.db2.gz HJPXDVCQFIJSMF-QWHCGFSZSA-N 1 0 254.374 2.272 40 0 CEABRO Cc1ccc(C(=O)N2CC[C@@]3(CC[N@@H+]3CC3CC3)C2)cn1 ZINC000096076002 185089695 /nfs/dbraw/zinc/08/96/95/185089695.db2.gz SNTCGSQPTBGBHB-QGZVFWFLSA-N 1 0 285.391 2.090 40 0 CEABRO CCN(CC)c1ccc(NC(=O)C2CC[NH2+]CC2)cc1 ZINC000037014633 361882660 /nfs/dbraw/zinc/88/26/60/361882660.db2.gz OAPUVHRVKFREJW-UHFFFAOYSA-N 1 0 275.396 2.471 40 0 CEABRO CC(C)[C@H]([NH3+])C(=O)NCc1cccc(Br)c1 ZINC000042419075 362092013 /nfs/dbraw/zinc/09/20/13/362092013.db2.gz URWYVLMQPVUCRC-NSHDSACASA-N 1 0 285.185 2.049 40 0 CEABRO CN(C)C(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCC[NH2+]1 ZINC000019696564 343374869 /nfs/dbraw/zinc/37/48/69/343374869.db2.gz UTWBMTRBLIZENA-KRWDZBQOSA-N 1 0 299.374 2.095 40 0 CEABRO CCOC(=O)[C@H](N)[C@@]1([NH+](C)C)C[C@@H]2CC[C@@]1(C)C2(C)C ZINC000216349822 344534884 /nfs/dbraw/zinc/53/48/84/344534884.db2.gz AGHKBSYGIOWTQD-APYUEPQZSA-N 1 0 282.428 2.023 40 0 CEABRO [NH3+][C@H]1CCCN(CC(=O)c2ccc(Br)cc2)C1 ZINC000050149619 362406118 /nfs/dbraw/zinc/40/61/18/362406118.db2.gz DUSHSTUOTJYAHV-LBPRGKRZSA-N 1 0 297.196 2.055 40 0 CEABRO CC(C)[NH2+][C@H]1CCC[C@@H](Oc2cccc(F)c2)[C@@H]1O ZINC000585289958 345010502 /nfs/dbraw/zinc/01/05/02/345010502.db2.gz YETNKBBSYZZIEF-RRFJBIMHSA-N 1 0 267.344 2.485 40 0 CEABRO Cc1[nH]c2ccccc2c1-c1noc(CCC[NH3+])n1 ZINC000085397294 179049921 /nfs/dbraw/zinc/04/99/21/179049921.db2.gz JYKSKOMXSYMYLT-UHFFFAOYSA-N 1 0 256.309 2.418 40 0 CEABRO O=C(OCc1ccccc1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000091297368 180125317 /nfs/dbraw/zinc/12/53/17/180125317.db2.gz VTCIBYYNHXLWPJ-OAHLLOKOSA-N 1 0 260.337 2.151 40 0 CEABRO Cn1ccc2c1C[NH2+]Cc1cn(-c3ccccc3)nc1-2 ZINC000306124464 282721695 /nfs/dbraw/zinc/72/16/95/282721695.db2.gz BQMJEJDLHXPYSB-UHFFFAOYSA-N 1 0 264.332 2.481 40 0 CEABRO FC(F)(F)c1cnc(O[C@H]2CC[NH2+]C2)c(Cl)c1 ZINC000051868408 282931855 /nfs/dbraw/zinc/93/18/55/282931855.db2.gz MYTGJJYAPLBTTJ-ZETCQYMHSA-N 1 0 266.650 2.495 40 0 CEABRO c1csc(CNc2cc(C3CC3)[nH+]c(NC3CC3)n2)c1 ZINC000329016793 202155064 /nfs/dbraw/zinc/15/50/64/202155064.db2.gz NHKUONDJSCQOAI-UHFFFAOYSA-N 1 0 286.404 2.446 40 0 CEABRO O=C([O-])C[N@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)C1CC1 ZINC000079393451 363594008 /nfs/dbraw/zinc/59/40/08/363594008.db2.gz NSEGXCOUTCRDLP-OAHLLOKOSA-N 1 0 288.391 2.058 40 0 CEABRO C[C@H]([NH3+])C(=O)N(C)Cc1c(Cl)cccc1Cl ZINC000079420266 363598240 /nfs/dbraw/zinc/59/82/40/363598240.db2.gz QRZYPDXBSULDLS-ZETCQYMHSA-N 1 0 261.152 2.299 40 0 CEABRO CCN(Cc1cccc(C(F)(F)F)c1)C(=O)[C@H](C)[NH3+] ZINC000079420927 363598763 /nfs/dbraw/zinc/59/87/63/363598763.db2.gz FTDUOTBFAYKURY-VIFPVBQESA-N 1 0 274.286 2.401 40 0 CEABRO CC(C)N(C(=O)[C@H](C)[NH3+])[C@@H](C)c1ccc(F)cc1 ZINC000079421292 363599109 /nfs/dbraw/zinc/59/91/09/363599109.db2.gz IZPYLXIIXPOBOB-QWRGUYRKSA-N 1 0 252.333 2.471 40 0 CEABRO COC(=O)[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1Cl ZINC000242728145 540424244 /nfs/dbraw/zinc/42/42/44/540424244.db2.gz YVCKOEIZBOKVIO-WDEREUQCSA-N 1 0 253.729 2.158 40 0 CEABRO CCCC[NH2+]CC(=O)Nc1ccc(C(=O)OCC)cc1 ZINC000001671729 361216570 /nfs/dbraw/zinc/21/65/70/361216570.db2.gz CADLPBYGOAMNGP-UHFFFAOYSA-N 1 0 278.352 2.192 40 0 CEABRO CC(C)(C)[NH2+]C[C@@H](O)COc1ccccc1Cl ZINC000004317357 361311616 /nfs/dbraw/zinc/31/16/16/361311616.db2.gz JRUUGPTUDLVBJC-SNVBAGLBSA-N 1 0 257.761 2.468 40 0 CEABRO O=C(/C=C/c1ccc(F)cc1)NCCC[NH+]1CCCC1 ZINC000010450005 361350528 /nfs/dbraw/zinc/35/05/28/361350528.db2.gz CBHYLKCEGNBMGP-RMKNXTFCSA-N 1 0 276.355 2.441 40 0 CEABRO CCOC(=O)[C@@H]1CCCCN1c1ccccc1C[NH3+] ZINC000026896366 361647261 /nfs/dbraw/zinc/64/72/61/361647261.db2.gz ZRSOSINNYDFJBU-AWEZNQCLSA-N 1 0 262.353 2.067 40 0 CEABRO Cc1cc(C)c(C)c(O[C@H](C)C(=O)NCCC[NH+](C)C)c1 ZINC000030757790 361702562 /nfs/dbraw/zinc/70/25/62/361702562.db2.gz RQFYYEBRNHHBCW-OAHLLOKOSA-N 1 0 292.423 2.447 40 0 CEABRO COc1ccc(-c2nnc([C@H]3CCC[NH2+]C3)o2)cc1 ZINC000032110959 361728103 /nfs/dbraw/zinc/72/81/03/361728103.db2.gz YXCQGWXODROUFS-NSHDSACASA-N 1 0 259.309 2.212 40 0 CEABRO [NH3+]Cc1cncn1Cc1ccc(C(F)(F)F)cc1 ZINC000090242348 364050671 /nfs/dbraw/zinc/05/06/71/364050671.db2.gz LVTHNPDUHQCMAK-UHFFFAOYSA-N 1 0 255.243 2.409 40 0 CEABRO BrC1=NO[C@H](C[NH2+]Cc2ccccc2)C1 ZINC000095098359 364339884 /nfs/dbraw/zinc/33/98/84/364339884.db2.gz CUVOOGSVGOUEAE-JTQLQIEISA-N 1 0 269.142 2.274 40 0 CEABRO c1cnc(N2CCC3(CCC[N@H+]3CC3CC3)CC2)nc1 ZINC000096049302 364400641 /nfs/dbraw/zinc/40/06/41/364400641.db2.gz NYEPUJBWVKOUIF-UHFFFAOYSA-N 1 0 272.396 2.321 40 0 CEABRO CC[C@H](C)[N@H+]1C[C@H]2CN(Cc3cccnc3)C[C@H]2C1 ZINC000096161504 364403223 /nfs/dbraw/zinc/40/32/23/364403223.db2.gz ZSHXRWJNOGVFSR-CWRNSKLLSA-N 1 0 259.397 2.244 40 0 CEABRO CC(C)[N@@H+]1CCC2(C1)CCN(C(=O)c1cccnc1)CC2 ZINC000096157648 364403517 /nfs/dbraw/zinc/40/35/17/364403517.db2.gz LAWARXCGMNWBDX-UHFFFAOYSA-N 1 0 287.407 2.418 40 0 CEABRO Cc1ccc(OC[C@@H]2CO[C@@H]3C[N@@H+](C4CCC4)C[C@H]23)cn1 ZINC000096215899 364412349 /nfs/dbraw/zinc/41/23/49/364412349.db2.gz QLGLEMDBGNTKAH-KBRIMQKVSA-N 1 0 288.391 2.268 40 0 CEABRO Cc1ccc2c(c1)C1(C[C@H]2NC(=O)N(C)C)CC[NH2+]CC1 ZINC000096241758 364416572 /nfs/dbraw/zinc/41/65/72/364416572.db2.gz NUDMQCZLDARQGX-OAHLLOKOSA-N 1 0 287.407 2.332 40 0 CEABRO COc1ncnc2c1CC[N@H+](Cc1cccs1)CC2 ZINC000096255555 364418374 /nfs/dbraw/zinc/41/83/74/364418374.db2.gz FGGYPWSKTGFJGJ-UHFFFAOYSA-N 1 0 275.377 2.148 40 0 CEABRO Cc1nc(C)c2c(n1)CC[N@@H+](Cc1cccnc1)CC2 ZINC000096254513 364418952 /nfs/dbraw/zinc/41/89/52/364418952.db2.gz QVHHPCNDNXPNSH-UHFFFAOYSA-N 1 0 268.364 2.089 40 0 CEABRO CC(=O)N1CCC[C@]2(C1)C[N@H+](CC1CCCCC1)CCO2 ZINC000096268745 364420237 /nfs/dbraw/zinc/42/02/37/364420237.db2.gz KOZMBNCTBCNIER-QGZVFWFLSA-N 1 0 294.439 2.280 40 0 CEABRO C[C@]1(C(F)(F)F)CN(Cc2ccccc2)C[C@@H]1[NH3+] ZINC000199548657 189683555 /nfs/dbraw/zinc/68/35/55/189683555.db2.gz CZGZLVAKCFYPMR-RYUDHWBXSA-N 1 0 258.287 2.398 40 0 CEABRO CCCn1nccc1CNCCC[NH+](CC)CC ZINC000159967499 366962346 /nfs/dbraw/zinc/96/23/46/366962346.db2.gz ZPJPAPVHEMMZFH-UHFFFAOYSA-N 1 0 252.406 2.115 40 0 CEABRO c1ccc(C[C@@H]2C[N@@H+](C3CCOCC3)CCO2)cc1 ZINC000161679540 367105103 /nfs/dbraw/zinc/10/51/03/367105103.db2.gz OAUSKDBSWDQYQN-MRXNPFEDSA-N 1 0 261.365 2.109 40 0 CEABRO COC(=O)[C@@H]1C[NH2+]C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000043641243 291483104 /nfs/dbraw/zinc/48/31/04/291483104.db2.gz PJNOYJGTPZLFEN-GHMZBOCLSA-N 1 0 273.254 2.181 40 0 CEABRO COC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccc(Cl)cc1 ZINC000201757396 370151876 /nfs/dbraw/zinc/15/18/76/370151876.db2.gz VXRLOWUNYIQIGZ-NEPJUHHUSA-N 1 0 253.729 2.158 40 0 CEABRO COc1cc(N[C@@H]2CCCC[C@H]2[NH3+])cc(OC)c1OC ZINC000218866302 370214243 /nfs/dbraw/zinc/21/42/43/370214243.db2.gz SFTCHGYWUKAPPW-VXGBXAGGSA-N 1 0 280.368 2.394 40 0 CEABRO Cc1ccc(S(=O)(=O)[C@H]2[C@@H]([NH3+])[C@@H]2c2ccccc2)cc1 ZINC000218052715 370203562 /nfs/dbraw/zinc/20/35/62/370203562.db2.gz JHMTZCUCRRKLTK-HRCADAONSA-N 1 0 287.384 2.262 40 0 CEABRO Cc1c(C[N@H+](C)[C@H]2CCCN(c3ccccn3)C2)cnn1C ZINC000257251320 371611111 /nfs/dbraw/zinc/61/11/11/371611111.db2.gz JQGZFVCLIBCIAU-INIZCTEOSA-N 1 0 299.422 2.224 40 0 CEABRO Cc1cc(Nc2ncccc2C)nc([C@@H]2CC[NH2+]C2)n1 ZINC000257211346 190012705 /nfs/dbraw/zinc/01/27/05/190012705.db2.gz BYNVAIYXFGEHLT-GFCCVEGCSA-N 1 0 269.352 2.309 40 0 CEABRO Cc1cc(C)nc([C@@H]2CC[N@H+](CC3CCOCC3)C2)n1 ZINC000257225716 190015622 /nfs/dbraw/zinc/01/56/22/190015622.db2.gz FHLCSSAPNALSLB-OAHLLOKOSA-N 1 0 275.396 2.309 40 0 CEABRO CNc1cc(C)[nH+]c([C@H]2CCN(Cc3ncc[nH]3)C2)c1 ZINC000257222817 190014416 /nfs/dbraw/zinc/01/44/16/190014416.db2.gz DUUGHUNLJCNBSS-LBPRGKRZSA-N 1 0 271.368 2.144 40 0 CEABRO CCN(CC)C(=O)c1cncc(C[C@H]2CCC[N@H+](C)C2)c1 ZINC000257222121 190015038 /nfs/dbraw/zinc/01/50/38/190015038.db2.gz DRZYPFNJTKQLKP-CQSZACIVSA-N 1 0 289.423 2.448 40 0 CEABRO COc1cccc(C[N@@H+]2CC[C@@H](c3cc[nH]n3)C2)c1OC ZINC000257238492 190017864 /nfs/dbraw/zinc/01/78/64/190017864.db2.gz HLFHISNGBQCFRY-GFCCVEGCSA-N 1 0 287.363 2.416 40 0 CEABRO c1ncc(C[N@@H+]2CCC[C@H](c3ccncn3)C2)s1 ZINC000257267880 190023356 /nfs/dbraw/zinc/02/33/56/190023356.db2.gz MJEPKFLZEUHSHM-NSHDSACASA-N 1 0 260.366 2.313 40 0 CEABRO CC(=O)NCc1cccc([C@H]2CCC[N@@H+]2CC2CC2)n1 ZINC000257284588 190026323 /nfs/dbraw/zinc/02/63/23/190026323.db2.gz PDGSDDXHJSPLNV-MRXNPFEDSA-N 1 0 273.380 2.265 40 0 CEABRO CCn1cnc2cc(NC(=O)[C@@]3(C)CCC[NH2+]C3)ccc21 ZINC000257313154 190031816 /nfs/dbraw/zinc/03/18/16/190031816.db2.gz URFLBBNTQMZAKL-INIZCTEOSA-N 1 0 286.379 2.384 40 0 CEABRO Cc1c[nH]c([C@@H]2CC[N@H+](Cc3ccc4c(c3)OCCO4)C2)n1 ZINC000257302312 190030624 /nfs/dbraw/zinc/03/06/24/190030624.db2.gz SCLOOZZVXGRDNI-CQSZACIVSA-N 1 0 299.374 2.479 40 0 CEABRO Cc1nccnc1CC[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000257311251 190032308 /nfs/dbraw/zinc/03/23/08/190032308.db2.gz UIRQYHKKPBEYEY-HNNXBMFYSA-N 1 0 275.396 2.361 40 0 CEABRO Cc1cc(Nc2cc([C@H]3CCC[NH2+]C3)nc(C)n2)n[nH]1 ZINC000257314361 190032942 /nfs/dbraw/zinc/03/29/42/190032942.db2.gz UWPUJOBCWTZMKZ-NSHDSACASA-N 1 0 272.356 2.027 40 0 CEABRO CCc1nccn1-c1ccnc([C@@H]2CCC[NH2+]C2)c1 ZINC000257329559 190034504 /nfs/dbraw/zinc/03/45/04/190034504.db2.gz XKLVVYSERLPWMC-GFCCVEGCSA-N 1 0 256.353 2.297 40 0 CEABRO c1cc2nccc(C[C@@H]3CC4(CO3)CC[NH2+]CC4)c2cn1 ZINC000257339514 190037398 /nfs/dbraw/zinc/03/73/98/190037398.db2.gz ZCBBILYZWXYHIO-CQSZACIVSA-N 1 0 283.375 2.331 40 0 CEABRO C[C@H]1CCN(C(=O)OCc2ccccc2)C[C@@H]1C[NH3+] ZINC000261508580 190040020 /nfs/dbraw/zinc/04/00/20/190040020.db2.gz UUJPGFKKQIJHNO-JSGCOSHPSA-N 1 0 262.353 2.240 40 0 CEABRO O=C(N[C@H]1CC[NH2+]CC[C@@H]1F)OCc1ccccc1 ZINC000261508639 190040196 /nfs/dbraw/zinc/04/01/96/190040196.db2.gz VLEBJDUSYLRIHB-STQMWFEESA-N 1 0 266.316 2.003 40 0 CEABRO CC[NH+](CC)C[C@H]1CN(Cc2cccnc2)Cc2cncn21 ZINC000306123960 376541313 /nfs/dbraw/zinc/54/13/13/376541313.db2.gz BBINDFYVDVZQBQ-KRWDZBQOSA-N 1 0 299.422 2.177 40 0 CEABRO CC[NH+](CC)CCNC1=CC(=S)NC(C)(C)C1 ZINC000022863723 284634768 /nfs/dbraw/zinc/63/47/68/284634768.db2.gz YXDHCABWQKDWGU-UHFFFAOYSA-N 1 0 255.431 2.312 40 0 CEABRO c1ccc(-c2ncnc3c2CC[N@H+]([C@@H]2CCOC2)CC3)cc1 ZINC000096255374 256835561 /nfs/dbraw/zinc/83/55/61/256835561.db2.gz BRSYLANQGCFRAR-OAHLLOKOSA-N 1 0 295.386 2.333 40 0 CEABRO CC[NH+](CC)CCOC(=O)c1ccc(N)cc1Cl ZINC000001530938 394451516 /nfs/dbraw/zinc/45/15/16/394451516.db2.gz VDANGULDQQJODZ-UHFFFAOYSA-N 1 0 270.760 2.421 40 0 fda CEABRO C[NH+](C[C@H]1CCCCC1=O)C[C@H]1CCCCC1=O ZINC000001706452 394452321 /nfs/dbraw/zinc/45/23/21/394452321.db2.gz AHSWXWCMUKTJBE-CHWSQXEVSA-N 1 0 251.370 2.437 40 0 CEABRO COc1ccc(CC[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc1OC ZINC000218854414 394457498 /nfs/dbraw/zinc/45/74/98/394457498.db2.gz VYLYNSDJXFXCBX-ZIAGYGMSSA-N 1 0 278.396 2.106 40 0 CEABRO COc1ccc(OC)c(N2CC[NH2+][C@H]3CCCC[C@@H]32)c1 ZINC000225713545 394469184 /nfs/dbraw/zinc/46/91/84/394469184.db2.gz ULHVNLJGQYCJMY-KBPBESRZSA-N 1 0 276.380 2.425 40 0 CEABRO CC(C)[N@@H+]1CCC[C@@H]1c1cccnc1N1CCOCC1 ZINC000072216221 394592821 /nfs/dbraw/zinc/59/28/21/394592821.db2.gz SJRBXFIGOABRLX-OAHLLOKOSA-N 1 0 275.396 2.464 40 0 CEABRO Cc1nc(N2CCOCC2)ccc1[C@@H]1CCCC[NH2+]1 ZINC000072219637 394594472 /nfs/dbraw/zinc/59/44/72/394594472.db2.gz NMVMSUJTLMLREK-AWEZNQCLSA-N 1 0 261.369 2.041 40 0 CEABRO Cc1nc(N2CC[NH+](C)CC2)ccc1[C@H](O)c1ccccc1 ZINC000072224650 394594601 /nfs/dbraw/zinc/59/46/01/394594601.db2.gz CQYRNBCKPQGLAM-GOSISDBHSA-N 1 0 297.402 2.224 40 0 CEABRO CC[C@@H]([NH3+])[C@H]1COC(C)(C)N1C(=O)OC(C)(C)C ZINC000072208803 394592058 /nfs/dbraw/zinc/59/20/58/394592058.db2.gz GNHNJLXZUVGRJW-NXEZZACHSA-N 1 0 258.362 2.096 40 0 CEABRO CN(C)CC[N@@H+]1CCCC12CCN(c1cccnc1)CC2 ZINC000096075239 394675434 /nfs/dbraw/zinc/67/54/34/394675434.db2.gz GTFXSVKQIGRABI-UHFFFAOYSA-N 1 0 288.439 2.078 40 0 CEABRO CCS(=O)(=O)[C@@H](C)[C@@H]([NH3+])c1cccc(Cl)c1 ZINC000096524817 394696701 /nfs/dbraw/zinc/69/67/01/394696701.db2.gz VVECBZDCBJYVGF-GZMMTYOYSA-N 1 0 261.774 2.163 40 0 CEABRO CC[C@H]([C@@H]([NH3+])c1ccc(F)cc1)S(=O)(=O)CC ZINC000096524958 394697118 /nfs/dbraw/zinc/69/71/18/394697118.db2.gz UQTGUEUCXORLKQ-NEPJUHHUSA-N 1 0 259.346 2.039 40 0 CEABRO O=C1Nc2ccc(C(F)(F)F)cc2C12CC[NH2+]CC2 ZINC000521396042 395255019 /nfs/dbraw/zinc/25/50/19/395255019.db2.gz MSEMDPYLPNWLTH-UHFFFAOYSA-N 1 0 270.254 2.279 40 0 CEABRO COc1cc(OC)cc(-c2noc(C3CC[NH2+]CC3)n2)c1 ZINC000199783489 400297402 /nfs/dbraw/zinc/29/74/02/400297402.db2.gz DCNVOVKOVHOXIV-UHFFFAOYSA-N 1 0 289.335 2.221 40 0 CEABRO CC(C)C[C@@H](C)[NH2+]CCOC(=O)c1ccc(N)cc1 ZINC000001995940 169765807 /nfs/dbraw/zinc/76/58/07/169765807.db2.gz ZSXCHLJCWRSMMS-GFCCVEGCSA-N 1 0 264.369 2.450 40 0 CEABRO CCN(CC)S(=O)(=O)c1ccc(OC)c([N+]#N)c1 ZINC000005224506 170077453 /nfs/dbraw/zinc/07/74/53/170077453.db2.gz QPRGGJBGRUMFBU-UHFFFAOYSA-N 1 0 270.334 2.210 40 0 CEABRO CCc1nn(CC[C@@H]2CCCC[NH2+]2)c(=O)c2ccccc12 ZINC000005470461 170102467 /nfs/dbraw/zinc/10/24/67/170102467.db2.gz FTXBELDWFJVFGK-ZDUSSCGKSA-N 1 0 285.391 2.491 40 0 CEABRO [NH3+]C[C@@H](c1ccccc1C(F)(F)F)N1CCOCC1 ZINC000022210466 171373556 /nfs/dbraw/zinc/37/35/56/171373556.db2.gz DTMYKPFBKABTRB-LBPRGKRZSA-N 1 0 274.286 2.037 40 0 CEABRO C[C@@H]1CN([C@H](C[NH3+])c2ccc(Cl)cc2)C[C@H](C)O1 ZINC000022212912 171374306 /nfs/dbraw/zinc/37/43/06/171374306.db2.gz AZNIWJXAYMFWFF-UHIISALHSA-N 1 0 268.788 2.449 40 0 CEABRO C[C@H](NCC[NH2+][C@@H](C)c1cccnc1)c1cccnc1 ZINC000022469018 171388756 /nfs/dbraw/zinc/38/87/56/171388756.db2.gz VJQJDYZVAVUECB-KBPBESRZSA-N 1 0 270.380 2.478 40 0 CEABRO CCOc1cncc(N2CC[C@@]3(CCC[N@@H+]3C)C2)c1 ZINC000044138530 175146304 /nfs/dbraw/zinc/14/63/04/175146304.db2.gz HHNMXHMUQGXCJL-HNNXBMFYSA-N 1 0 261.369 2.155 40 0 CEABRO CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+]C2CC2)C1 ZINC000072194488 176336988 /nfs/dbraw/zinc/33/69/88/176336988.db2.gz BSKXECJFQNIYJN-NSHDSACASA-N 1 0 254.374 2.386 40 0 CEABRO Cc1cc(C)nc(Nc2cncc([C@H]3CCC[N@H+]3C)n2)n1 ZINC000072376200 176385293 /nfs/dbraw/zinc/38/52/93/176385293.db2.gz BVORFYARVWWPOR-CYBMUJFWSA-N 1 0 284.367 2.394 40 0 CEABRO C[N@@H+]1CCCC[C@H]1c1ccnc(Nc2cnccn2)n1 ZINC000072377387 176385842 /nfs/dbraw/zinc/38/58/42/176385842.db2.gz IJASLZUKUFLSCO-LBPRGKRZSA-N 1 0 270.340 2.167 40 0 CEABRO c1cc([C@@H]2C[NH2+]CCO2)ncc1NC1CCCCC1 ZINC000072386431 176391415 /nfs/dbraw/zinc/39/14/15/176391415.db2.gz PVDUWGOXGYMEHX-HNNXBMFYSA-N 1 0 261.369 2.487 40 0 CEABRO C[NH+]1CCC(c2cccc(N[C@H]3CCCOC3)n2)CC1 ZINC000072386909 176392376 /nfs/dbraw/zinc/39/23/76/176392376.db2.gz FQYOPVSSXCUVAK-AWEZNQCLSA-N 1 0 275.396 2.482 40 0 CEABRO C[N@@H+]1CCC[C@H](c2cccc(NC3CCOCC3)n2)C1 ZINC000072386971 176392587 /nfs/dbraw/zinc/39/25/87/176392587.db2.gz XUUMKHWIMUAXPE-ZDUSSCGKSA-N 1 0 275.396 2.482 40 0 CEABRO COC(=O)N[C@@H]1CC2(CC[NH2+]CC2)c2ccccc21 ZINC000096157327 260563955 /nfs/dbraw/zinc/56/39/55/260563955.db2.gz MVTDMQQPTOIWIO-CYBMUJFWSA-N 1 0 260.337 2.109 40 0 CEABRO Cc1ccc2c(c1)[C@H](NC(=O)N(C)C)CC21CC[NH2+]CC1 ZINC000096241781 265346223 /nfs/dbraw/zinc/34/62/23/265346223.db2.gz XNEJWGLDLGIETD-OAHLLOKOSA-N 1 0 287.407 2.332 40 0 CEABRO Cc1cc2nccc(C3CC[NH+]([C@H]4CCOC4)CC3)n2n1 ZINC000257298921 274730401 /nfs/dbraw/zinc/73/04/01/274730401.db2.gz RNWIUESQDLULGW-AWEZNQCLSA-N 1 0 286.379 2.006 40 0 CEABRO Fc1ccc2c(c1)nc1n2[C@@H](C[NH2+]C2CCC2)COC1 ZINC000096112722 274913688 /nfs/dbraw/zinc/91/36/88/274913688.db2.gz CHRDGBZKUYSDAH-LBPRGKRZSA-N 1 0 275.327 2.389 40 0 biogenic,in-vitro CEABRO C1CCN(c2nc(=[N+]3CCCCC3)ss2)CC1 ZINC000016953015 275736389 /nfs/dbraw/zinc/73/63/89/275736389.db2.gz WBCJCGJWZNCNBE-UHFFFAOYSA-N 1 0 270.447 2.151 40 0 CEABRO CNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000028220868 277241632 /nfs/dbraw/zinc/24/16/32/277241632.db2.gz KNYSEWHMZXNEQO-GFCCVEGCSA-N 1 0 266.772 2.298 40 0 CEABRO Cn1cc(CN2CCC[C@]3(CC[N@H+](CC4CC4)C3)C2)cn1 ZINC000096100149 279336145 /nfs/dbraw/zinc/33/61/45/279336145.db2.gz ILIIEBSWRGWCIF-KRWDZBQOSA-N 1 0 288.439 2.118 40 0 CEABRO Cc1cccc(N2CCO[C@@H](c3cc(N)cc(C)[nH+]3)C2)n1 ZINC000257257616 281229183 /nfs/dbraw/zinc/22/91/83/281229183.db2.gz KQKUAJLDKYKBLT-OAHLLOKOSA-N 1 0 284.363 2.254 40 0 CEABRO c1ccc(C[N@H+]2C[C@H]3CN(c4cccnn4)C[C@H]3C2)cc1 ZINC000306842006 333010189 /nfs/dbraw/zinc/01/01/89/333010189.db2.gz AZECRCPBZLVCQL-IYBDPMFKSA-N 1 0 280.375 2.045 40 0 CEABRO C[C@@H](CCN1C[C@H]2C[C@@H](O)C[N@@H+]2C[C@H]1C)c1ccccc1 ZINC000248241456 334297471 /nfs/dbraw/zinc/29/74/71/334297471.db2.gz OQWLLWPCXDAZNO-BURFUSLBSA-N 1 0 288.435 2.320 40 0 CEABRO CCOC(=O)c1ccc(-c2ccc(C[NH2+]CCO)o2)cc1 ZINC000007519733 528196097 /nfs/dbraw/zinc/19/60/97/528196097.db2.gz GTJXYZREEGPXAJ-UHFFFAOYSA-N 1 0 289.331 2.205 40 0 CEABRO COc1ccc(OCc2n[nH]c([C@@H]([NH3+])C(C)C)n2)cc1 ZINC000095534738 185007605 /nfs/dbraw/zinc/00/76/05/185007605.db2.gz GSBFUBFQPITBHB-ZDUSSCGKSA-N 1 0 276.340 2.048 40 0 CEABRO CCN1C(=O)CC[C@]12CCC[N@H+](Cc1cccnc1)CC2 ZINC000096047507 185072659 /nfs/dbraw/zinc/07/26/59/185072659.db2.gz GHGNXBRVRWHBFS-KRWDZBQOSA-N 1 0 287.407 2.449 40 0 CEABRO Cc1ccc(C[N@@H+]2CCC[C@]3(CCC(=O)N3)CC2)o1 ZINC000096047447 185073254 /nfs/dbraw/zinc/07/32/54/185073254.db2.gz AGJNDVKMEDECIK-HNNXBMFYSA-N 1 0 262.353 2.223 40 0 CEABRO COc1cc(OC)cc([C@H](C[NH3+])N2CCC[C@H](C)C2)c1 ZINC000035105605 361812894 /nfs/dbraw/zinc/81/28/94/361812894.db2.gz MICPJGHFZAGIHR-LRDDRELGSA-N 1 0 278.396 2.436 40 0 CEABRO O=C1C[C@H]2[C@@H](CC[N@@H+]2Cc2ccco2)N1Cc1cccnc1 ZINC000096063866 185083924 /nfs/dbraw/zinc/08/39/24/185083924.db2.gz NFCFDGDBUCPOQP-CVEARBPZSA-N 1 0 297.358 2.050 40 0 CEABRO O=C(N1CC2(C1)CC[N@H+](Cc1ccoc1)C2)N1CCCC1 ZINC000096070923 185086428 /nfs/dbraw/zinc/08/64/28/185086428.db2.gz MOGRSHOKARCDMD-UHFFFAOYSA-N 1 0 289.379 2.003 40 0 CEABRO CCN1C(=O)CC[C@]12CCC[N@H+](Cc1ccccn1)C2 ZINC000096071171 185087265 /nfs/dbraw/zinc/08/72/65/185087265.db2.gz RYTDSRPHSIOJQP-INIZCTEOSA-N 1 0 273.380 2.059 40 0 CEABRO CN1CC[C@]2(CCC[N@H+](Cc3cccs3)C2)C1=O ZINC000096073922 185087963 /nfs/dbraw/zinc/08/79/63/185087963.db2.gz USHQMXXIUJFMBS-AWEZNQCLSA-N 1 0 264.394 2.192 40 0 CEABRO COc1ccc(Br)cc1CN1CCC[C@@H]([NH3+])C1 ZINC000041027928 362013729 /nfs/dbraw/zinc/01/37/29/362013729.db2.gz FEYUVOVNSWILOH-GFCCVEGCSA-N 1 0 299.212 2.381 40 0 CEABRO Fc1ccc2ncc(-c3cccc([C@H]4C[NH2+]CCO4)n3)n2c1 ZINC000585263334 345009399 /nfs/dbraw/zinc/00/93/99/345009399.db2.gz VUIDHGATQAATPF-OAHLLOKOSA-N 1 0 298.321 2.196 40 0 CEABRO C[N@@H+]1CCC2(C1)CCN(C(=O)Cc1ccccc1)CC2 ZINC000063527654 362768876 /nfs/dbraw/zinc/76/88/76/362768876.db2.gz OHIBOZRUUXRBRU-UHFFFAOYSA-N 1 0 272.392 2.173 40 0 CEABRO CCOC(=O)c1ccccc1NC(=O)[C@@H]1CCC[N@H+](C)C1 ZINC000073381373 363215133 /nfs/dbraw/zinc/21/51/33/363215133.db2.gz RZDPTCZYEIQELI-GFCCVEGCSA-N 1 0 290.363 2.144 40 0 CEABRO COc1ccc(OC)c(NC(=O)CC2CC[NH+](C)CC2)c1 ZINC000074921022 363418765 /nfs/dbraw/zinc/41/87/65/363418765.db2.gz TXRLEBHIAXJGGO-UHFFFAOYSA-N 1 0 292.379 2.374 40 0 CEABRO COc1ccccc1NC(=O)CC1CC[NH+](C)CC1 ZINC000074921015 363418810 /nfs/dbraw/zinc/41/88/10/363418810.db2.gz RZGHLHWAGQKDSK-UHFFFAOYSA-N 1 0 262.353 2.366 40 0 CEABRO C[NH+]1CCC(CC(=O)Nc2ccc3c(c2)OCCO3)CC1 ZINC000074921058 363418869 /nfs/dbraw/zinc/41/88/69/363418869.db2.gz PXGZJONHKGFQSR-UHFFFAOYSA-N 1 0 290.363 2.128 40 0 CEABRO CC(C)(C)OC(=O)N1CC[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000075629531 363480136 /nfs/dbraw/zinc/48/01/36/363480136.db2.gz NXUPFJYYZIGTJY-RKDXNWHRSA-N 1 0 282.306 2.381 40 0 CEABRO CC[N@H+](CCO)C[C@@H]1CCCCN1Cc1ccccc1 ZINC000079393517 363593469 /nfs/dbraw/zinc/59/34/69/363593469.db2.gz MTUJIOUUKYCJHE-KRWDZBQOSA-N 1 0 276.424 2.355 40 0 CEABRO CC(C)N(C[C@H]1CCCN1CC[NH3+])C(=O)OC(C)(C)C ZINC000079408508 363595374 /nfs/dbraw/zinc/59/53/74/363595374.db2.gz LCCCWMNESKHNAZ-CYBMUJFWSA-N 1 0 285.432 2.055 40 0 CEABRO CC[N@@H+](Cc1ccccc1)C[C@@H]1CCCN(CCO)C1 ZINC000079414227 363597281 /nfs/dbraw/zinc/59/72/81/363597281.db2.gz ICHYVSCXFWXEHL-KRWDZBQOSA-N 1 0 276.424 2.213 40 0 CEABRO CC(C)[C@H]([NH3+])C(=O)N(Cc1ccsc1)C(C)C ZINC000079436436 363600864 /nfs/dbraw/zinc/60/08/64/363600864.db2.gz IPYIJVBTJTVNIP-LBPRGKRZSA-N 1 0 254.399 2.468 40 0 CEABRO O=C(OCc1ccccc1)N1CC[C@H]([NH2+]C2CC2)C1 ZINC000079437259 363600900 /nfs/dbraw/zinc/60/09/00/363600900.db2.gz YWSIGOBNYJLYHD-AWEZNQCLSA-N 1 0 260.337 2.150 40 0 CEABRO Nc1nc(NCCSCc2ccccc2)cc[nH+]1 ZINC000001670177 361214976 /nfs/dbraw/zinc/21/49/76/361214976.db2.gz KVEGGNYLNPKUCK-UHFFFAOYSA-N 1 0 260.366 2.404 40 0 CEABRO O[C@@H]1CCCC[C@H]1C[NH+]1CCN(c2ccccc2)CC1 ZINC000002022377 361226129 /nfs/dbraw/zinc/22/61/29/361226129.db2.gz TZJZHIIVJQYNPM-DOTOQJQBSA-N 1 0 274.408 2.360 40 0 CEABRO COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@H+](C)C1 ZINC000082326190 363765122 /nfs/dbraw/zinc/76/51/22/363765122.db2.gz NOMUHRXMJSXSEN-GFCCVEGCSA-N 1 0 262.353 2.284 40 0 CEABRO COc1cccc(NC(=O)COc2cccc(C[NH3+])c2)c1 ZINC000019275641 361524934 /nfs/dbraw/zinc/52/49/34/361524934.db2.gz YKFFBFJPJQDOAH-UHFFFAOYSA-N 1 0 286.331 2.171 40 0 CEABRO [NH3+]CCN[C@@H](c1ccccc1)[C@@H](O)c1ccccc1 ZINC000019367689 361527591 /nfs/dbraw/zinc/52/75/91/361527591.db2.gz KSABEOZTQSQRBQ-HOTGVXAUSA-N 1 0 256.349 2.010 40 0 CEABRO [NH3+]C[C@H](c1cccc(Cl)c1Cl)N1CCOCC1 ZINC000019518091 361541539 /nfs/dbraw/zinc/54/15/39/361541539.db2.gz XJGRQFMBDQFKHP-LLVKDONJSA-N 1 0 275.179 2.325 40 0 CEABRO CC(C)(C)OC(=O)NC[C@H]([NH3+])c1ccccc1F ZINC000019796139 361554700 /nfs/dbraw/zinc/55/47/00/361554700.db2.gz QOOKUBPKAQBBLF-NSHDSACASA-N 1 0 254.305 2.350 40 0 CEABRO O[C@@H](COc1ccccc1)C[N@@H+]1CC[C@@H]2C=CC=C[C@@H]2C1 ZINC000026531221 361643510 /nfs/dbraw/zinc/64/35/10/361643510.db2.gz HSIIBDBKJDPQQR-GVDBMIGSSA-N 1 0 285.387 2.490 40 0 CEABRO COc1cccc(-c2nnc([C@H]3CCC[NH2+]C3)o2)c1 ZINC000032110957 361728659 /nfs/dbraw/zinc/72/86/59/361728659.db2.gz LJAIQDKOGDVGHE-NSHDSACASA-N 1 0 259.309 2.212 40 0 CEABRO COCC[NH2+]C[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000089212804 363949784 /nfs/dbraw/zinc/94/97/84/363949784.db2.gz YJUNLMACEVPUOW-LBPRGKRZSA-N 1 0 272.389 2.012 40 0 CEABRO CC[N@@H+]1CCC[C@@H](n2ncc3cnc(Cl)nc32)C1 ZINC000095097373 364340166 /nfs/dbraw/zinc/34/01/66/364340166.db2.gz SBTACHXIMUIIKD-SNVBAGLBSA-N 1 0 265.748 2.137 40 0 CEABRO O=C(Cc1ccsc1)N1CC[C@H]2[C@H]1CC[N@@H+]2CC1CC1 ZINC000096184418 364407219 /nfs/dbraw/zinc/40/72/19/364407219.db2.gz XPKGKPQQWAJYGZ-LSDHHAIUSA-N 1 0 290.432 2.376 40 0 CEABRO CC(C)[NH2+][C@H]1CCc2c(ccc(=O)n2CC2CC2)C1 ZINC000096189745 364408341 /nfs/dbraw/zinc/40/83/41/364408341.db2.gz NBSGBLBOSLKBER-AWEZNQCLSA-N 1 0 260.381 2.114 40 0 CEABRO CO[C@@H]1CC[N@H+](Cc2ccsc2)[C@H]1Cc1cnn(C)c1 ZINC000096200189 364408805 /nfs/dbraw/zinc/40/88/05/364408805.db2.gz CWZKEVZDYHJFHB-LSDHHAIUSA-N 1 0 291.420 2.314 40 0 CEABRO COC[C@H]1C[N@H+](C)C[C@@]12CCN(Cc1ccccc1F)C2 ZINC000096216774 364412131 /nfs/dbraw/zinc/41/21/31/364412131.db2.gz ISSNBVRGKYBSCA-NVXWUHKLSA-N 1 0 292.398 2.226 40 0 CEABRO O=C([C@H]1CCCO1)N1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC000096227893 364414284 /nfs/dbraw/zinc/41/42/84/364414284.db2.gz RVGCVEUINIQISH-OAHLLOKOSA-N 1 0 292.423 2.032 40 0 CEABRO COc1ccc(C[NH2+]C2CCC3(CCC(=O)N3)CC2)cc1 ZINC000096228515 364414767 /nfs/dbraw/zinc/41/47/67/364414767.db2.gz NQLNTHDBZICSFL-UHFFFAOYSA-N 1 0 288.391 2.376 40 0 CEABRO CN(C)C(=O)N1CC[C@@]2(c3ccccc3)CC[N@H+](C)[C@H]2C1 ZINC000096251829 364415902 /nfs/dbraw/zinc/41/59/02/364415902.db2.gz PXSZZMGCICPJRP-DOTOQJQBSA-N 1 0 287.407 2.016 40 0 CEABRO CNC(=O)N[C@@H]1CC2(CC[NH+](C)CC2)c2cc(C)ccc21 ZINC000096241766 364415982 /nfs/dbraw/zinc/41/59/82/364415982.db2.gz DBABTXQICONYDH-OAHLLOKOSA-N 1 0 287.407 2.332 40 0 CEABRO C[N@@H+]1CCCCC12CCN(C(=O)c1ccccn1)CC2 ZINC000096239829 364416224 /nfs/dbraw/zinc/41/62/24/364416224.db2.gz VRZZWEUUZHGLGC-UHFFFAOYSA-N 1 0 273.380 2.172 40 0 CEABRO Cc1cccc(C[N@@H+]2CC[C@@]3(C2)c2ccccc2NC3=O)n1 ZINC000096244785 364416879 /nfs/dbraw/zinc/41/68/79/364416879.db2.gz HJPPPKVWQCLCGQ-GOSISDBHSA-N 1 0 293.370 2.486 40 0 CEABRO CNC(=O)C[C@H]1CC2(CC[NH+](C)CC2)c2ccccc21 ZINC000096241922 364417159 /nfs/dbraw/zinc/41/71/59/364417159.db2.gz BFVMTQDIYADJDW-ZDUSSCGKSA-N 1 0 272.392 2.273 40 0 CEABRO COc1cc(C(=O)O[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)ccc1O ZINC000100375730 364544549 /nfs/dbraw/zinc/54/45/49/364544549.db2.gz OZKTVDIYALBSMA-ITGUQSILSA-N 1 0 291.347 2.183 40 0 in-vitro CEABRO CC[C@H](Oc1ccccc1F)C(=O)NC1CC[NH+](C)CC1 ZINC000113960380 364920380 /nfs/dbraw/zinc/92/03/80/364920380.db2.gz KXILEJANXDNGGH-AWEZNQCLSA-N 1 0 294.370 2.194 40 0 CEABRO Cc1noc(C)c1C(=O)N1CCC2(CC([NH+](C)C)C2)CC1 ZINC000585102757 367179491 /nfs/dbraw/zinc/17/94/91/367179491.db2.gz DQGDCFQUYOWBDZ-UHFFFAOYSA-N 1 0 291.395 2.238 40 0 CEABRO C[C@H]1C[C@@]1(C[NH3+])[C@@H](O)c1cccc(Br)c1 ZINC000216575889 370190367 /nfs/dbraw/zinc/19/03/67/370190367.db2.gz NZNKECSTXOMISB-UWJYBYFXSA-N 1 0 270.170 2.467 40 0 CEABRO COc1ccc(-c2ccc3nnc([C@@H]4CCC[NH2+]4)n3n2)cc1 ZINC000217556219 370196307 /nfs/dbraw/zinc/19/63/07/370196307.db2.gz LNRJIKLYLYKQRM-AWEZNQCLSA-N 1 0 295.346 2.224 40 0 CEABRO CCC[N@@H+]1CC[C@]2(C[C@H]2C(=O)N(C)Cc2ccccn2)C1 ZINC000248115900 371161878 /nfs/dbraw/zinc/16/18/78/371161878.db2.gz LKCKXOLVHVLMBV-RDJZCZTQSA-N 1 0 287.407 2.162 40 0 CEABRO CC(=O)N1CCN(c2ccnc(C)n2)C[C@@H]1c1ccccc1 ZINC000257290030 371610482 /nfs/dbraw/zinc/61/04/82/371610482.db2.gz QBFYPSPJBVIMFL-MRXNPFEDSA-N 1 0 296.374 2.195 40 0 CEABRO Cc1c[nH]nc1C[C@H]1CCCN(c2ccnc(C)n2)C1 ZINC000257318624 371613440 /nfs/dbraw/zinc/61/34/40/371613440.db2.gz VOSSRCMTEOHJKX-CYBMUJFWSA-N 1 0 271.368 2.276 40 0 CEABRO Cc1c(C[NH2+]Cc2ccnn2CCF)cnn1C(C)C ZINC000256051840 190003559 /nfs/dbraw/zinc/00/35/59/190003559.db2.gz KRYGRERVDYBHOR-UHFFFAOYSA-N 1 0 279.363 2.228 40 0 CEABRO COc1ccccc1[C@H]1C[NH2+]CCN1Cc1nccs1 ZINC000257206303 190011743 /nfs/dbraw/zinc/01/17/43/190011743.db2.gz BCTLXZPJGMTFRS-CYBMUJFWSA-N 1 0 289.404 2.298 40 0 CEABRO Cn1nccc1-c1cc(C[C@H]2CCC[NH2+]C2)ccn1 ZINC000257212181 190013426 /nfs/dbraw/zinc/01/34/26/190013426.db2.gz CCGVSXUPIJDSKL-CYBMUJFWSA-N 1 0 256.353 2.024 40 0 CEABRO CO[C@H]1C[N@H+](CCOc2ccccc2)CC[C@@]12CCCO2 ZINC000257216131 190014290 /nfs/dbraw/zinc/01/42/90/190014290.db2.gz CTFODRUPGGNSED-IRXDYDNUSA-N 1 0 291.391 2.335 40 0 CEABRO CNc1cc(C)[nH+]c([C@@H]2CCN(Cc3ncc[nH]3)C2)c1 ZINC000257222816 190014711 /nfs/dbraw/zinc/01/47/11/190014711.db2.gz DUUGHUNLJCNBSS-GFCCVEGCSA-N 1 0 271.368 2.144 40 0 CEABRO Cn1cccc1C[N@@H+]1CCC[C@H](Cc2cc[nH]n2)C1 ZINC000257250979 190020307 /nfs/dbraw/zinc/02/03/07/190020307.db2.gz JOVDRASFPWWZDJ-CYBMUJFWSA-N 1 0 258.369 2.203 40 0 CEABRO CCOCC[N@@H+]1CC[C@H](O)[C@@H](Oc2ccc(F)cc2)CC1 ZINC000257258986 190021718 /nfs/dbraw/zinc/02/17/18/190021718.db2.gz KWJGVCYGUOBZLZ-HOTGVXAUSA-N 1 0 297.370 2.066 40 0 CEABRO CC(C)n1cc(-c2cncc(CC3CC[NH2+]CC3)n2)cn1 ZINC000257260585 190022025 /nfs/dbraw/zinc/02/20/25/190022025.db2.gz LDMUGPXOFVZLQA-UHFFFAOYSA-N 1 0 285.395 2.463 40 0 CEABRO CC(C)[N@@H+]1CCC[C@H](c2cncc(N3CCOC3=O)n2)C1 ZINC000257263102 190022254 /nfs/dbraw/zinc/02/22/54/190022254.db2.gz LOJOGOHTWCXGJK-LBPRGKRZSA-N 1 0 290.367 2.021 40 0 CEABRO C[N@@H+]1C[C@@H](c2ccccc2F)[C@]2(C1)CCCCC(=O)N2 ZINC000257320313 190033641 /nfs/dbraw/zinc/03/36/41/190033641.db2.gz VWFDFBQCWGKOKE-XJKSGUPXSA-N 1 0 276.355 2.284 40 0 CEABRO CC(=O)N1CC[N@H+](CC2CC2)[C@@H](c2ccccc2)C1 ZINC000257338388 190036369 /nfs/dbraw/zinc/03/63/69/190036369.db2.gz YXDJWAGKOUHAJQ-MRXNPFEDSA-N 1 0 258.365 2.302 40 0 CEABRO C[C@H]1CC[C@@H](C[NH3+])N(C(=O)OCc2ccccc2)C1 ZINC000261508681 190040260 /nfs/dbraw/zinc/04/02/60/190040260.db2.gz VVQLVEABNKBPKW-JSGCOSHPSA-N 1 0 262.353 2.382 40 0 CEABRO C[C@H]1C[C@H](C[NH3+])CN(C(=O)OCc2ccccc2)C1 ZINC000261509020 190040510 /nfs/dbraw/zinc/04/05/10/190040510.db2.gz ZCTLPMZIDJNCMP-GXTWGEPZSA-N 1 0 262.353 2.240 40 0 CEABRO CC[C@@H]([NH3+])c1cnc(I)cc1C ZINC000072225991 256703559 /nfs/dbraw/zinc/70/35/59/256703559.db2.gz QENGQTWYVSLWAX-MRVPVSSYSA-N 1 0 276.121 2.404 40 0 CEABRO C[C@H]([NH2+][C@@H](C)C(C)(C)c1ccccc1)c1nnnn1C ZINC000189842213 130029000 /nfs/dbraw/zinc/02/90/00/130029000.db2.gz VKWXDLPYGGFQTL-RYUDHWBXSA-N 1 0 273.384 2.227 40 0 CEABRO Cc1ccc(-n2c(C[NH3+])nc3ccccc3c2=O)cc1 ZINC000004299068 394455200 /nfs/dbraw/zinc/45/52/00/394455200.db2.gz CSHCDYYXXIFTKK-UHFFFAOYSA-N 1 0 265.316 2.153 40 0 CEABRO CSc1nc(N2CCCC2)c(C=O)c(N2CCCC2)n1 ZINC000217689908 394455164 /nfs/dbraw/zinc/45/51/64/394455164.db2.gz JVYHNTUMLHOYIN-UHFFFAOYSA-N 1 0 292.408 2.211 40 0 CEABRO COc1ccc(OC[C@@H](O)C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000033542066 394492390 /nfs/dbraw/zinc/49/23/90/394492390.db2.gz RHMRQCVSUOJGHE-ZNMIVQPWSA-N 1 0 293.407 2.413 40 0 CEABRO CC[N@@H+]1CCC[C@H]1c1ccc(N2CCOCC2)nc1C ZINC000072219617 394594253 /nfs/dbraw/zinc/59/42/53/394594253.db2.gz UCVIXKWXANQIQC-HNNXBMFYSA-N 1 0 275.396 2.383 40 0 CEABRO Cc1cc(N2CCCC2)nc([C@@H]2CCC[N@@H+](C)C2)n1 ZINC000072364624 394598519 /nfs/dbraw/zinc/59/85/19/394598519.db2.gz ALHWBULBEGQOTD-CYBMUJFWSA-N 1 0 260.385 2.194 40 0 CEABRO COc1ccc2c3c1O[C@@H]1C[C@@H](O)C=C(CC[N@@H+](C)C2)[C@@H]31 ZINC000085224988 394642604 /nfs/dbraw/zinc/64/26/04/394642604.db2.gz FFQKTDKDUHFQKE-NWANDNLSSA-N 1 0 287.359 2.066 40 0 CEABRO CC(C)CCC(=O)N1CCC2(CCC[NH2+]C2)CC1 ZINC000096047371 394675341 /nfs/dbraw/zinc/67/53/41/394675341.db2.gz LCDSOXKPGLMSJY-UHFFFAOYSA-N 1 0 252.402 2.415 40 0 CEABRO CC(C)C(=O)N1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC000096157361 394677170 /nfs/dbraw/zinc/67/71/70/394677170.db2.gz OPTVCDWQMNWZIN-UHFFFAOYSA-N 1 0 272.392 2.306 40 0 CEABRO C[N@@H+]1C[C@H](CO)[C@H](c2cccc(Br)c2)C1 ZINC000217673368 400307860 /nfs/dbraw/zinc/30/78/60/400307860.db2.gz UOALQWUFZSXGPE-PWSUYJOCSA-N 1 0 270.170 2.087 40 0 CEABRO CN1C[C@@H](c2ccccc2)[C@@H](O)[C@H](C[NH+]2CCCCC2)C1 ZINC000005699167 170130428 /nfs/dbraw/zinc/13/04/28/170130428.db2.gz WMHNFSXEDPVRNU-BZSNNMDCSA-N 1 0 288.435 2.179 40 0 CEABRO [NH3+]Cc1ccc(NC(=O)COc2ccccc2)cc1 ZINC000019255546 170759414 /nfs/dbraw/zinc/75/94/14/170759414.db2.gz VHMVGFMITCSKSU-UHFFFAOYSA-N 1 0 256.305 2.163 40 0 CEABRO C[NH+](C)CCCN(Cc1ccccn1)Cc1ccccn1 ZINC000019582208 170828776 /nfs/dbraw/zinc/82/87/76/170828776.db2.gz RLZTWSZRDKLBJX-UHFFFAOYSA-N 1 0 284.407 2.431 40 0 CEABRO Cc1cc(NCC[NH3+])n2nc(-c3cccc(F)c3)cc2n1 ZINC000035314973 172122722 /nfs/dbraw/zinc/12/27/22/172122722.db2.gz HHMGBCIQJDKRCJ-UHFFFAOYSA-N 1 0 285.326 2.214 40 0 CEABRO Cc1cccc2cc(C[NH2+]CCO)c(Cl)nc12 ZINC000035314040 172122867 /nfs/dbraw/zinc/12/28/67/172122867.db2.gz HKLVAQKWDTUBHB-UHFFFAOYSA-N 1 0 250.729 2.279 40 0 CEABRO c1cc(CN2CC[NH2+][C@H]3CCCC[C@H]32)cc2c1OCO2 ZINC000218829904 414843858 /nfs/dbraw/zinc/84/38/58/414843858.db2.gz VRRUTLRSIXCUCJ-UONOGXRCSA-N 1 0 274.364 2.132 40 0 CEABRO COc1ccc(OC)c(-c2noc([C@H]3CCC[NH2+]C3)n2)c1 ZINC000072226850 176343345 /nfs/dbraw/zinc/34/33/45/176343345.db2.gz FODHHHIKLGFIEK-JTQLQIEISA-N 1 0 289.335 2.221 40 0 CEABRO CC(C)c1nccn1-c1nccnc1[C@@H]1CCC[NH2+]C1 ZINC000072348379 176373173 /nfs/dbraw/zinc/37/31/73/176373173.db2.gz CCCSLHNXQAXGFA-GFCCVEGCSA-N 1 0 271.368 2.253 40 0 CEABRO CCc1nccn1-c1nccnc1[C@@H]1CCC[N@H+](C)C1 ZINC000072350495 176373806 /nfs/dbraw/zinc/37/38/06/176373806.db2.gz FFTLGYUFGDLTDH-GFCCVEGCSA-N 1 0 271.368 2.034 40 0 CEABRO Cc1nc([C@H]2CCC[N@@H+](C(C)C)C2)ncc1C(=O)N(C)C ZINC000072352005 176374265 /nfs/dbraw/zinc/37/42/65/176374265.db2.gz HMGITVOGNNLUPS-ZDUSSCGKSA-N 1 0 290.411 2.075 40 0 CEABRO Cc1noc(C2CC[NH+](Cc3ccncc3)CC2)n1 ZINC000072363792 176377995 /nfs/dbraw/zinc/37/79/95/176377995.db2.gz BRTMAOABVCONBA-UHFFFAOYSA-N 1 0 258.325 2.153 40 0 CEABRO CCCNC(=O)c1cncc(C[C@H]2CCC[N@H+](C)C2)c1 ZINC000072369330 176383903 /nfs/dbraw/zinc/38/39/03/176383903.db2.gz QHYKUTGPWWJLBK-CYBMUJFWSA-N 1 0 275.396 2.106 40 0 CEABRO COCCN1CCC[C@H]1c1cc(N(C)C)cc(C)[nH+]1 ZINC000072380953 176387414 /nfs/dbraw/zinc/38/74/14/176387414.db2.gz FXLGHEDLJMVYNN-HNNXBMFYSA-N 1 0 263.385 2.239 40 0 CEABRO Cc1nc(Nc2cnccn2)cc(C2C[NH+](C(C)C)C2)n1 ZINC000072382646 176388495 /nfs/dbraw/zinc/38/84/95/176388495.db2.gz VPBIRFLEUQPNSP-UHFFFAOYSA-N 1 0 284.367 2.126 40 0 CEABRO COc1ccc2c(C[N@@H+]3CCC[C@@H](O)C3)cn(C)c2c1 ZINC000072397837 176395741 /nfs/dbraw/zinc/39/57/41/176395741.db2.gz GNRTYECGJXQSPO-CYBMUJFWSA-N 1 0 274.364 2.144 40 0 CEABRO C[C@H]1C[NH2+]CCN1Cc1ccc(C(F)(F)F)cc1 ZINC000054372273 274604656 /nfs/dbraw/zinc/60/46/56/274604656.db2.gz OJRFXWJKJZYNFF-JTQLQIEISA-N 1 0 258.287 2.499 40 0 CEABRO NC(=O)c1ccc[n+](Cc2c(Cl)cccc2Cl)c1 ZINC000001727265 274940848 /nfs/dbraw/zinc/94/08/48/274940848.db2.gz DRKRBNQEPUQSFA-UHFFFAOYSA-O 1 0 282.150 2.428 40 0 CEABRO CC[NH+](CC)C[C@@H](O)COc1ccc2c(c1)CCC2 ZINC000006325225 276105269 /nfs/dbraw/zinc/10/52/69/276105269.db2.gz DGCZTDKWXVKNQF-OAHLLOKOSA-N 1 0 263.381 2.257 40 0 CEABRO COc1cc2c(cc1OC)C(=O)[C@@H](C[NH+](C)C)CC2 ZINC000005677749 277393415 /nfs/dbraw/zinc/39/34/15/277393415.db2.gz JGSXOHUJTPAGBV-LLVKDONJSA-N 1 0 263.337 2.011 40 0 CEABRO COc1ccccc1[C@@H]1C[N@@H+](C2CCOCC2)CCN1C ZINC000257300780 278060709 /nfs/dbraw/zinc/06/07/09/278060709.db2.gz RVQPZGCJSLNRQP-INIZCTEOSA-N 1 0 290.407 2.163 40 0 CEABRO CC(C)(C)OC(=O)N[C@@H]1C[NH2+]C[C@@H](C(F)(F)F)C1 ZINC000144773164 278440405 /nfs/dbraw/zinc/44/04/05/278440405.db2.gz CUNVTZVWJLBPQS-YUMQZZPRSA-N 1 0 268.279 2.052 40 0 CEABRO C[C@H](O)C[NH2+]CCNCc1ccc(Cl)cc1Cl ZINC000022075240 279577536 /nfs/dbraw/zinc/57/75/36/279577536.db2.gz HHYRPSDBXBXHOA-VIFPVBQESA-N 1 0 277.195 2.053 40 0 CEABRO COc1ccc2c(c1)[C@]13CC[NH2+][C@H](C2)[C@@H]1CCC(=O)C3 ZINC000034349876 295276621 /nfs/dbraw/zinc/27/66/21/295276621.db2.gz YQDNOFJTUBTARC-UAGQMJEPSA-N 1 0 271.360 2.220 40 0 biogenic,in-vitro CEABRO CNc1nccnc1C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000257339695 327137122 /nfs/dbraw/zinc/13/71/22/327137122.db2.gz ZCUNGYXJYBIAJV-UONOGXRCSA-N 1 0 290.411 2.001 40 0 CEABRO Brc1ccccc1CO[C@@H]1CC[NH2+]C1 ZINC000051782533 518223677 /nfs/dbraw/zinc/22/36/77/518223677.db2.gz WXPHVGQHCRPZJR-SNVBAGLBSA-N 1 0 256.143 2.328 40 0 CEABRO COc1cccc(C(=O)N2CC[NH2+]C[C@H]2c2ccccc2)c1 ZINC000062709947 525803697 /nfs/dbraw/zinc/80/36/97/525803697.db2.gz PZXUTBQUXRIRMI-KRWDZBQOSA-N 1 0 296.370 2.482 40 0 CEABRO c1ccc(CNc2cc(C3CC3)[nH+]c(NC3CC3)n2)cc1 ZINC000329065043 526472190 /nfs/dbraw/zinc/47/21/90/526472190.db2.gz XNTAJOPKCMRTFT-UHFFFAOYSA-N 1 0 280.375 2.384 40 0 CEABRO CC[NH+](CC)CCCNCc1cn(C)nc1C(F)(F)F ZINC000256051449 570351786 /nfs/dbraw/zinc/35/17/86/570351786.db2.gz JFRLGFJGMQOBDY-UHFFFAOYSA-N 1 0 292.349 2.260 40 0 CEABRO CC(C)[N@H+](C1CCCCC1)[C@H]1CNCC[C@]1(C)O ZINC000685936216 570388485 /nfs/dbraw/zinc/38/84/85/570388485.db2.gz KQGQPKSUPVGZKW-GJZGRUSLSA-N 1 0 254.418 2.142 40 0 CEABRO Cc1cnc(CN2CCC([NH3+])CC2)c(C)c1Cl ZINC000725327987 811060765 /nfs/dbraw/zinc/06/07/65/811060765.db2.gz BTYHYIDJRIXQFP-UHFFFAOYSA-N 1 0 253.777 2.275 40 0 CEABRO COc1cc(OC)c2nccc(NCCC[NH3+])c2c1 ZINC000222682079 230398262 /nfs/dbraw/zinc/39/82/62/230398262.db2.gz MZYPKEPUHZAWKI-UHFFFAOYSA-N 1 0 261.325 2.013 40 0 CEABRO C[C@]12C[C@@H](Cc3ccccc3)[NH2+][C@H]1CCCCC(=O)N2 ZINC000095951593 185039767 /nfs/dbraw/zinc/03/97/67/185039767.db2.gz GPXAZAUDCCGCTP-VYDXJSESSA-N 1 0 272.392 2.409 40 0 CEABRO COC[C@]12CCCO[C@H]1CC[N@H+](Cc1cccc(C)n1)C2 ZINC000096038997 185069029 /nfs/dbraw/zinc/06/90/29/185069029.db2.gz HHSVDHNVSJBKDN-DLBZAZTESA-N 1 0 290.407 2.408 40 0 CEABRO O=C1N(Cc2ccccn2)CCC12CC[NH+](CC1CC1)CC2 ZINC000096046910 185073049 /nfs/dbraw/zinc/07/30/49/185073049.db2.gz GRPHTMJUENFSRZ-UHFFFAOYSA-N 1 0 299.418 2.306 40 0 CEABRO CN1C(=O)CCC[C@@]12CCC[N@H+](Cc1cccnc1)C2 ZINC000096049969 185073898 /nfs/dbraw/zinc/07/38/98/185073898.db2.gz LJXJXJRYWSAPDB-INIZCTEOSA-N 1 0 273.380 2.059 40 0 CEABRO Cc1noc(C)c1CN1C[C@H]2C[C@@H](C1)[N@H+](CC1CC1)C2 ZINC000096058497 185079394 /nfs/dbraw/zinc/07/93/94/185079394.db2.gz GBVBGEPXUKJFSN-CABCVRRESA-N 1 0 275.396 2.208 40 0 CEABRO CC(C)[N@H+](C)Cc1cnc2n1CCN(Cc1ccccn1)C2 ZINC000096061777 185082335 /nfs/dbraw/zinc/08/23/35/185082335.db2.gz ALLOIIDKHQXXHS-UHFFFAOYSA-N 1 0 299.422 2.134 40 0 CEABRO O=C(c1cccnc1)N1C[C@@H]2C[N@@H+](CC3CCCC3)C[C@@H]2C1 ZINC000096063675 185084640 /nfs/dbraw/zinc/08/46/40/185084640.db2.gz MJQUXFVLJQAUSY-CALCHBBNSA-N 1 0 299.418 2.276 40 0 CEABRO C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)CC3CCCC3)C2)C1 ZINC000096076210 185089456 /nfs/dbraw/zinc/08/94/56/185089456.db2.gz DEZZJVDSTPJPQM-KRWDZBQOSA-N 1 0 294.439 2.138 40 0 CEABRO CCOc1cccc(NC(=O)C2CC[NH+](C)CC2)c1 ZINC000096624921 185108265 /nfs/dbraw/zinc/10/82/65/185108265.db2.gz XTDMIGMDXKTDMN-UHFFFAOYSA-N 1 0 262.353 2.366 40 0 CEABRO CCOc1ccc([C@@H](C[NH3+])N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000036100788 361827652 /nfs/dbraw/zinc/82/76/52/361827652.db2.gz KZMZFCSIRMTEJX-XJKCOSOUSA-N 1 0 278.396 2.194 40 0 CEABRO C[C@H]1CN([C@@H](C[NH3+])c2cccc(Cl)c2)C[C@H](C)O1 ZINC000036100515 361828409 /nfs/dbraw/zinc/82/84/09/361828409.db2.gz NLAGDHOLDUBGQI-MJVIPROJSA-N 1 0 268.788 2.449 40 0 CEABRO O=C([C@@H]1CCC[NH2+]C1)N(Cc1cccc(F)c1)C1CC1 ZINC000037807688 361947178 /nfs/dbraw/zinc/94/71/78/361947178.db2.gz CUSMMJWKSOOOJO-CYBMUJFWSA-N 1 0 276.355 2.316 40 0 CEABRO C[NH+](C)CCCn1cnc2c1nc(Cl)nc2Cl ZINC000096311595 344239728 /nfs/dbraw/zinc/23/97/28/344239728.db2.gz NOCBYSKVRRYZRD-UHFFFAOYSA-N 1 0 274.155 2.085 40 0 CEABRO Cc1cc(C)nc(N2CCC([NH+]3CCCC3)CC2)n1 ZINC000141519461 344401514 /nfs/dbraw/zinc/40/15/14/344401514.db2.gz PKTAOQWNORTHIV-UHFFFAOYSA-N 1 0 260.385 2.158 40 0 CEABRO Cc1cccc(CO[C@@H]2CSC3(C[NH+](C)C3)C2)n1 ZINC000585105476 345005893 /nfs/dbraw/zinc/00/58/93/345005893.db2.gz XGWJKYARHLUTEB-ZDUSSCGKSA-N 1 0 264.394 2.096 40 0 CEABRO Cc1[nH]c2ccc(NC(=O)[C@H]3CC[NH2+]C3)cc2c1C ZINC000585169373 345008971 /nfs/dbraw/zinc/00/89/71/345008971.db2.gz HYCDLTMMWPTPED-NSHDSACASA-N 1 0 257.337 2.333 40 0 CEABRO O[C@]1(COc2ccccc2)CC[N@H+](Cc2ccccn2)C1 ZINC000585269478 345009241 /nfs/dbraw/zinc/00/92/41/345009241.db2.gz VZLLOUVYYQXOKJ-QGZVFWFLSA-N 1 0 284.359 2.097 40 0 CEABRO [NH3+]C1CCC(Oc2ncccc2Br)CC1 ZINC000055143475 362543923 /nfs/dbraw/zinc/54/39/23/362543923.db2.gz QOYKGYIPPRHLBK-UHFFFAOYSA-N 1 0 271.158 2.493 40 0 CEABRO COc1ccc(C2(O)CC[NH+](C(C)C)CC2)cc1OC ZINC000055192537 362545798 /nfs/dbraw/zinc/54/57/98/362545798.db2.gz NNPLFTNURNRRJY-UHFFFAOYSA-N 1 0 279.380 2.396 40 0 CEABRO Fc1ccc2nc(N3CCC[NH2+]CC3)sc2c1 ZINC000062203481 362715074 /nfs/dbraw/zinc/71/50/74/362715074.db2.gz VMGYNBKEKHGKDJ-UHFFFAOYSA-N 1 0 251.330 2.235 40 0 CEABRO CC(C)(C)OC(=O)NCC1(c2cccnc2)CC[NH2+]CC1 ZINC000098213757 185700775 /nfs/dbraw/zinc/70/07/75/185700775.db2.gz MIKPQPFKUIHNKL-UHFFFAOYSA-N 1 0 291.395 2.228 40 0 CEABRO C[C@H]([NH3+])c1cc(=O)n2nc(-c3cccs3)cc2[nH]1 ZINC000100733766 185723818 /nfs/dbraw/zinc/72/38/18/185723818.db2.gz BOZWINQCSOCSQL-ZETCQYMHSA-N 1 0 260.322 2.183 40 0 CEABRO CN(C)c1nc(=[N+](C)C2CCCCC2)ss1 ZINC000016953021 282601248 /nfs/dbraw/zinc/60/12/48/282601248.db2.gz YCUYABATTJKECP-UHFFFAOYSA-N 1 0 258.436 2.005 40 0 CEABRO NC(=[NH2+])SCc1nc(-c2ccc(F)cc2)no1 ZINC000087464271 179429029 /nfs/dbraw/zinc/42/90/29/179429029.db2.gz YXNUXBRCYSRPPY-UHFFFAOYSA-N 1 0 252.274 2.002 40 0 CEABRO Cc1ccc(OC[C@@H](C)NC(=O)C2CC[NH+](C)CC2)cc1 ZINC000073100594 363197988 /nfs/dbraw/zinc/19/79/88/363197988.db2.gz FJEKAFBNGOPTLW-CQSZACIVSA-N 1 0 290.407 2.220 40 0 CEABRO COc1cccc(NC(=O)CC2CC[NH+](C)CC2)c1 ZINC000074921016 363418926 /nfs/dbraw/zinc/41/89/26/363418926.db2.gz JBKXGQJRCLLUOL-UHFFFAOYSA-N 1 0 262.353 2.366 40 0 CEABRO [NH3+]CCS[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000079392267 363594116 /nfs/dbraw/zinc/59/41/16/363594116.db2.gz XTKWSJVUVSQBJF-CQSZACIVSA-N 1 0 294.420 2.480 40 0 CEABRO C[C@H](c1cccc(Cl)c1)N(C(=O)C[NH3+])C1CC1 ZINC000079421133 363598831 /nfs/dbraw/zinc/59/88/31/363598831.db2.gz YSXNIAKRQUVIOY-SECBINFHSA-N 1 0 252.745 2.351 40 0 CEABRO C[C@H]([NH3+])C(=O)N(Cc1ccc(Br)cc1)C1CC1 ZINC000079420598 363598879 /nfs/dbraw/zinc/59/88/79/363598879.db2.gz AZQJOTCMKSPEMB-VIFPVBQESA-N 1 0 297.196 2.287 40 0 CEABRO OC1(c2ccccc2Br)CC[NH2+]CC1 ZINC000140351291 366559945 /nfs/dbraw/zinc/55/99/45/366559945.db2.gz UVLXDBQKTIEQSK-UHFFFAOYSA-N 1 0 256.143 2.020 40 0 CEABRO [NH3+]C[C@@H]1COC(c2ccccc2)(c2ccccc2)O1 ZINC000002042519 361225755 /nfs/dbraw/zinc/22/57/55/361225755.db2.gz BRMKTNXTLDWFFD-OAHLLOKOSA-N 1 0 255.317 2.262 40 0 CEABRO CC[N@@H+]1C[C@@H]2CCC[C@@]3(C1)C(=O)NC1(CCCCC1)N=C23 ZINC000002700779 361245031 /nfs/dbraw/zinc/24/50/31/361245031.db2.gz ICFQVBLKMFUCBQ-BBRMVZONSA-N 1 0 289.423 2.340 40 0 CEABRO CNC(=S)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2CC(C)C ZINC000008577831 361343714 /nfs/dbraw/zinc/34/37/14/361343714.db2.gz HHZGAMUEDOQGOH-YHWZYXNKSA-N 1 0 269.458 2.122 40 0 CEABRO COC(=O)[C@@H](c1ccccc1)[C@]1(O)C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000013122903 361419722 /nfs/dbraw/zinc/41/97/22/361419722.db2.gz XGFOAXWEGYBKCA-SHFYGJNESA-N 1 0 291.391 2.034 40 0 CEABRO COc1ccc(NC(=O)COc2cccc(C[NH3+])c2)cc1 ZINC000019267044 361524668 /nfs/dbraw/zinc/52/46/68/361524668.db2.gz HOIIZACTUJQFMA-UHFFFAOYSA-N 1 0 286.331 2.171 40 0 CEABRO COc1ccccc1C[N@@H+]1CC[C@H](c2cc(=O)[nH]c(C)n2)C1 ZINC000019285276 361526422 /nfs/dbraw/zinc/52/64/22/361526422.db2.gz ZADOTEKMGLFTIQ-ZDUSSCGKSA-N 1 0 299.374 2.076 40 0 CEABRO Cc1ncc(CN(CC[NH+](C)C)Cc2cccs2)n1C ZINC000019287302 361526682 /nfs/dbraw/zinc/52/66/82/361526682.db2.gz VUXDJXRXDJELLI-UHFFFAOYSA-N 1 0 292.452 2.354 40 0 CEABRO CCOC(=N)c1cccc(C[NH+]2CCC(O)CC2)c1 ZINC000089212565 363950019 /nfs/dbraw/zinc/95/00/19/363950019.db2.gz REFXBOONCBPFFH-UHFFFAOYSA-N 1 0 262.353 2.005 40 0 CEABRO CC(C)[N@H+](C)Cc1cn2c(n1)CN(Cc1ccoc1)CC2 ZINC000096197199 364409087 /nfs/dbraw/zinc/40/90/87/364409087.db2.gz NICQYGPHGUHPAO-UHFFFAOYSA-N 1 0 288.395 2.332 40 0 CEABRO c1cc(C[N@H+]2CC[C@]3(C[C@H](OCC4CC4)CO3)C2)ccn1 ZINC000096218375 364413260 /nfs/dbraw/zinc/41/32/60/364413260.db2.gz HYDQXXYKNSXRQR-IRXDYDNUSA-N 1 0 288.391 2.242 40 0 CEABRO CN(C)c1ncnc2c1CC[N@H+](CC1CCCC1)CC2 ZINC000096255414 364419023 /nfs/dbraw/zinc/41/90/23/364419023.db2.gz UWECUJRVQHPQFZ-UHFFFAOYSA-N 1 0 274.412 2.133 40 0 CEABRO [NH3+]Cc1cn(Cc2cccc(C(F)(F)F)c2)cn1 ZINC000098213993 364538236 /nfs/dbraw/zinc/53/82/36/364538236.db2.gz HHJOODUJWUBFMJ-UHFFFAOYSA-N 1 0 255.243 2.409 40 0 CEABRO NC(=[NH2+])c1cc(Br)cc(Br)c1 ZINC000199556786 370149056 /nfs/dbraw/zinc/14/90/56/370149056.db2.gz LORBNXATOIBYGT-UHFFFAOYSA-N 1 0 277.947 2.496 40 0 CEABRO CCc1ccc(CC(=O)NCCC[NH+]2CCCC2)cc1 ZINC000225859508 370323730 /nfs/dbraw/zinc/32/37/30/370323730.db2.gz WXTKDEKYKURNRJ-UHFFFAOYSA-N 1 0 274.408 2.394 40 0 CEABRO CC[NH+](CC)CCCN[C@H](C)C(=O)N1[C@H](C)CCC[C@H]1C ZINC000248242230 371171505 /nfs/dbraw/zinc/17/15/05/371171505.db2.gz HNOIFNMTCSBWKU-BZUAXINKSA-N 1 0 297.487 2.486 40 0 CEABRO Cc1nccc(N2CC[N@@H+](C)[C@H](c3ccccc3)C2)n1 ZINC000257256011 371611241 /nfs/dbraw/zinc/61/12/41/371611241.db2.gz KJSLRCOYTLXZPI-HNNXBMFYSA-N 1 0 268.364 2.278 40 0 CEABRO Cc1ncc(CN2CCCC[C@H]2c2ccncn2)cn1 ZINC000257344139 371612752 /nfs/dbraw/zinc/61/27/52/371612752.db2.gz ZVXYHUUMVIMIJB-HNNXBMFYSA-N 1 0 269.352 2.302 40 0 CEABRO CCn1cc(C[NH2+]Cc2ccnn2C(C)C)c(C)n1 ZINC000256054481 190005284 /nfs/dbraw/zinc/00/52/84/190005284.db2.gz WMBTYDYVMBLZKX-UHFFFAOYSA-N 1 0 261.373 2.279 40 0 CEABRO COc1cc(C[NH2+]Cc2ccnn2C(C)C)ccc1O ZINC000256049475 190002581 /nfs/dbraw/zinc/00/25/81/190002581.db2.gz ABVZVHFXQBKIFD-UHFFFAOYSA-N 1 0 275.352 2.468 40 0 CEABRO COc1cccc(C[NH2+]Cc2cnn(CCF)c2)c1 ZINC000256054798 190005508 /nfs/dbraw/zinc/00/55/08/190005508.db2.gz XVOUDDQSZRYIAZ-UHFFFAOYSA-N 1 0 263.316 2.151 40 0 CEABRO CCn1cc(-c2cnc(CC3CC[NH+](C)CC3)cn2)cn1 ZINC000257203789 190011852 /nfs/dbraw/zinc/01/18/52/190011852.db2.gz ARQCLTJONRAJQP-UHFFFAOYSA-N 1 0 285.395 2.244 40 0 CEABRO c1cncc(C[N@@H+]2CCC3(CC(Nc4ccncn4)C3)C2)c1 ZINC000257214502 190013282 /nfs/dbraw/zinc/01/32/82/190013282.db2.gz CMFGJCVQJKQYJC-UHFFFAOYSA-N 1 0 295.390 2.338 40 0 CEABRO CNc1ncccc1C[N@@H+]1CCC[C@H](Cc2cc[nH]n2)C1 ZINC000257216164 190013862 /nfs/dbraw/zinc/01/38/62/190013862.db2.gz CTKRMWAWFLTGDQ-CYBMUJFWSA-N 1 0 285.395 2.301 40 0 CEABRO Cc1ncccc1Oc1nccnc1[C@H]1CCC[NH2+]C1 ZINC000257197664 190010160 /nfs/dbraw/zinc/01/01/60/190010160.db2.gz GBLWUWIKWKZHJX-LBPRGKRZSA-N 1 0 270.336 2.439 40 0 CEABRO CCn1nccc1-c1cc(C)nc(CC2CC[NH2+]CC2)n1 ZINC000257233575 190017226 /nfs/dbraw/zinc/01/72/26/190017226.db2.gz GPUBTBJQABIAEV-UHFFFAOYSA-N 1 0 285.395 2.211 40 0 CEABRO CCCn1ccnc1CN1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000257252818 190020553 /nfs/dbraw/zinc/02/05/53/190020553.db2.gz JWFFNQJHZUDVBX-MRXNPFEDSA-N 1 0 284.407 2.440 40 0 CEABRO CC(C)CNC(=O)c1cc([C@H]2CCC[N@@H+]2C)ccn1 ZINC000257254031 190020709 /nfs/dbraw/zinc/02/07/09/190020709.db2.gz KBHCSBFCSDZVPK-CQSZACIVSA-N 1 0 261.369 2.234 40 0 CEABRO C[NH+]1CCC(c2ccnc(Nc3cnccn3)c2)CC1 ZINC000257239905 190017534 /nfs/dbraw/zinc/01/75/34/190017534.db2.gz HRHUSLYMPZKAOX-UHFFFAOYSA-N 1 0 269.352 2.424 40 0 CEABRO CC(C)[N@@H+]1CCC[C@@H](c2nccnc2-c2cc[nH]n2)C1 ZINC000257243875 190018893 /nfs/dbraw/zinc/01/88/93/190018893.db2.gz IIYJAMZHHXHNQK-GFCCVEGCSA-N 1 0 271.368 2.455 40 0 CEABRO Cc1ccc(Nc2ncc(F)c(C[C@H]3CC[NH2+]C3)n2)nc1 ZINC000257252666 190021044 /nfs/dbraw/zinc/02/10/44/190021044.db2.gz JVQJTBFKZPTBLO-LLVKDONJSA-N 1 0 287.342 2.215 40 0 CEABRO CCn1nccc1-c1cnc(C[C@@H]2CCC[N@H+](C)C2)cn1 ZINC000257286438 190027241 /nfs/dbraw/zinc/02/72/41/190027241.db2.gz PLPILFNRIWDLCW-ZDUSSCGKSA-N 1 0 285.395 2.244 40 0 CEABRO c1csc(-c2cc(CC3CC[NH2+]CC3)ncn2)n1 ZINC000257299882 190029265 /nfs/dbraw/zinc/02/92/65/190029265.db2.gz RSBCGMBPXCGYKJ-UHFFFAOYSA-N 1 0 260.366 2.142 40 0 CEABRO Cc1ncc(-c2cc(C)nc(CC3CC[NH2+]CC3)n2)n1C ZINC000257297027 190029710 /nfs/dbraw/zinc/02/97/10/190029710.db2.gz RFLHUHJIUSPRLS-UHFFFAOYSA-N 1 0 285.395 2.036 40 0 CEABRO NC(=O)c1cccc([C@@H]2CCC[N@@H+]2C2CCCC2)n1 ZINC000257333331 190035617 /nfs/dbraw/zinc/03/56/17/190035617.db2.gz YBCYZOPJQIADGX-AWEZNQCLSA-N 1 0 259.353 2.260 40 0 CEABRO O=C(Cc1ccsc1)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000257336308 190036026 /nfs/dbraw/zinc/03/60/26/190036026.db2.gz YNWNXJHCZVFXSQ-HNNXBMFYSA-N 1 0 286.400 2.464 40 0 CEABRO O[C@H]1CC[N@H+](Cc2ccccc2)CC[C@@H]1n1ccnc1 ZINC000257341657 190036907 /nfs/dbraw/zinc/03/69/07/190036907.db2.gz ZLIDIHGBLBVAQK-HOTGVXAUSA-N 1 0 271.364 2.081 40 0 CEABRO C[C@H]1CC[C@H](CNC(=O)OCc2ccccc2)[NH2+]C1 ZINC000261508824 190040532 /nfs/dbraw/zinc/04/05/32/190040532.db2.gz XLEVDWOUHGBDKF-GXTWGEPZSA-N 1 0 262.353 2.301 40 0 CEABRO c1ccc(NC[C@@H]2CO[C@@H]3C[N@@H+](C4CCCC4)C[C@H]23)nc1 ZINC000306126525 376540965 /nfs/dbraw/zinc/54/09/65/376540965.db2.gz DYINQGNQFIRBAU-FVQBIDKESA-N 1 0 287.407 2.383 40 0 CEABRO O=[n+]1c2c(n(O)c3cc(F)c(N4CCCC4)cc31)CCC2 ZINC000100564690 285191760 /nfs/dbraw/zinc/19/17/60/285191760.db2.gz QDZOMVUYFVLPEV-UHFFFAOYSA-N 1 0 290.318 2.021 40 0 CEABRO OCC[C@@H]1C[NH2+]Cc2cccc(Br)c21 ZINC000095868223 285264403 /nfs/dbraw/zinc/26/44/03/285264403.db2.gz HMQHPXCWBYYQCA-SECBINFHSA-N 1 0 256.143 2.018 40 0 CEABRO c1ccc(CN2C[C@@]3(CC[NH2+]C3)c3ncccc32)cc1 ZINC000306135458 285477917 /nfs/dbraw/zinc/47/79/17/285477917.db2.gz ORIZBTQLEPJKPO-KRWDZBQOSA-N 1 0 265.360 2.333 40 0 CEABRO Cc1cccc([C@@H](CCO)CC[NH+]2CCOCC2)c1 ZINC000217801184 394456205 /nfs/dbraw/zinc/45/62/05/394456205.db2.gz LUYZQZLEAPKBOR-OAHLLOKOSA-N 1 0 263.381 2.183 40 0 CEABRO COc1c2c(c(C(F)(F)F)c3c1C[N@H+](C)CC3)OCO2 ZINC000252508150 394571376 /nfs/dbraw/zinc/57/13/76/394571376.db2.gz XEKQTQPWVKBQHC-UHFFFAOYSA-N 1 0 289.253 2.431 40 0 CEABRO Cc1nc(N2CCOCC2)ccc1[C@H]1CCCC[N@H+]1C ZINC000072219640 394594703 /nfs/dbraw/zinc/59/47/03/394594703.db2.gz ROFHTNGNDVYMKN-OAHLLOKOSA-N 1 0 275.396 2.383 40 0 CEABRO CCOC(=O)[C@H](CN)C1([NH+]2CCCCC2)CCCCC1 ZINC000072210453 394591974 /nfs/dbraw/zinc/59/19/74/394591974.db2.gz LCNOFJITDOPTRI-AWEZNQCLSA-N 1 0 282.428 2.313 40 0 CEABRO Cc1cc([C@@H](C)[NH3+])cnc1I ZINC000072225961 394595282 /nfs/dbraw/zinc/59/52/82/394595282.db2.gz KYKBKHZZFPYHQC-ZCFIWIBFSA-N 1 0 262.094 2.014 40 0 CEABRO Cc1cc([C@H](C)[NH3+])cnc1I ZINC000072225962 394595569 /nfs/dbraw/zinc/59/55/69/394595569.db2.gz KYKBKHZZFPYHQC-LURJTMIESA-N 1 0 262.094 2.014 40 0 CEABRO CC(C)[N@@H+]1CCC[C@H](c2nccnc2-c2cn[nH]c2)C1 ZINC000072382188 394598672 /nfs/dbraw/zinc/59/86/72/394598672.db2.gz YAPDVDCZNCJGEG-LBPRGKRZSA-N 1 0 271.368 2.455 40 0 CEABRO CC(C)C[N@@H+]1CC[C@@]2(C1)CCCN(c1ncccn1)C2 ZINC000096071626 394675423 /nfs/dbraw/zinc/67/54/23/394675423.db2.gz FZAWAWBVZWRZQL-MRXNPFEDSA-N 1 0 274.412 2.425 40 0 CEABRO CC(C)(C)OC(=O)NC[C@@H]1CC[NH2+]C[C@H]1C(F)(F)F ZINC000199714910 395470358 /nfs/dbraw/zinc/47/03/58/395470358.db2.gz DSVLUHRWMIGJHS-DTWKUNHWSA-N 1 0 282.306 2.299 40 0 CEABRO [NH3+]C[C@H]1[C@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccccc1 ZINC000242547866 400315196 /nfs/dbraw/zinc/31/51/96/400315196.db2.gz KXEHYTCGVACPOM-OAGGEKHMSA-N 1 0 287.384 2.201 40 0 CEABRO COc1ccc(OC[C@@H](O)C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000033542067 286346359 /nfs/dbraw/zinc/34/63/59/286346359.db2.gz RHMRQCVSUOJGHE-KFWWJZLASA-N 1 0 293.407 2.413 40 0 CEABRO CC[NH+](CC)CCCNC(=S)c1ccc(O)c(OC)c1 ZINC000004769925 170014171 /nfs/dbraw/zinc/01/41/71/170014171.db2.gz CWALWUIMJPVWPJ-UHFFFAOYSA-N 1 0 296.436 2.398 40 0 CEABRO CC[C@H](C)c1ccccc1OC[C@H](O)C[NH2+][C@@H](CC)CO ZINC000006449916 170202155 /nfs/dbraw/zinc/20/21/55/170202155.db2.gz LSOWXZOSDLPNHO-SOUVJXGZSA-N 1 0 295.423 2.300 40 0 CEABRO Cc1ccc(NC(=S)NCC[NH+](C)C)cc1C ZINC000007526530 170289300 /nfs/dbraw/zinc/28/93/00/170289300.db2.gz ZLPSRURNFAEKLD-UHFFFAOYSA-N 1 0 251.399 2.151 40 0 CEABRO C[N@@H+]1CCC[C@H](CNC(=S)Nc2ccccc2)C1 ZINC000009876091 170388035 /nfs/dbraw/zinc/38/80/35/170388035.db2.gz XPCBNUOPRIYXMJ-GFCCVEGCSA-N 1 0 263.410 2.315 40 0 CEABRO C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCC[NH+](C)C ZINC000010111688 170397727 /nfs/dbraw/zinc/39/77/27/170397727.db2.gz IVARFLDVJBBQGH-ZDUSSCGKSA-N 1 0 292.423 2.429 40 0 CEABRO C[NH+](C)CCCNC(=O)CSCc1ccc(F)cc1 ZINC000020215516 171078306 /nfs/dbraw/zinc/07/83/06/171078306.db2.gz FXGCVSKXIPTIQW-UHFFFAOYSA-N 1 0 284.400 2.127 40 0 CEABRO [NH3+][C@H](Cc1nc(-c2ccncc2)no1)c1ccccc1 ZINC000020551795 171247516 /nfs/dbraw/zinc/24/75/16/171247516.db2.gz RAEMHQPOHCSLLX-CYBMUJFWSA-N 1 0 266.304 2.374 40 0 CEABRO COc1ccc2c(c1)[C@H](O)[C@H]([NH2+]Cc1ccccc1)C2 ZINC000031912093 171658934 /nfs/dbraw/zinc/65/89/34/171658934.db2.gz QOAGIRXXYXCYCD-SJORKVTESA-N 1 0 269.344 2.443 40 0 CEABRO CC(C)[C@H]([NH3+])C(=O)N(C)[C@@H](C)c1ccc(F)cc1 ZINC000037802943 173741308 /nfs/dbraw/zinc/74/13/08/173741308.db2.gz FHMVGIFJHYNCJG-GWCFXTLKSA-N 1 0 252.333 2.328 40 0 CEABRO CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCC[NH+](C)C ZINC000038755019 174154726 /nfs/dbraw/zinc/15/47/26/174154726.db2.gz YGVHNJKDQRNSPT-HNNXBMFYSA-N 1 0 278.396 2.139 40 0 CEABRO COc1ccc([C@@H](C[NH3+])N2CCC(C)CC2)cc1OC ZINC000038808920 174156599 /nfs/dbraw/zinc/15/65/99/174156599.db2.gz YBNQCSUGMRKFHD-CQSZACIVSA-N 1 0 278.396 2.436 40 0 CEABRO COCCN1c2ccc(SCCC[NH3+])cc2CCC1=O ZINC000218813760 414843811 /nfs/dbraw/zinc/84/38/11/414843811.db2.gz KVMNREMNESXJLI-UHFFFAOYSA-N 1 0 294.420 2.053 40 0 CEABRO Brc1cccc2c1N[C@@H]1CC[NH2+]C[C@H]21 ZINC000071484633 176189347 /nfs/dbraw/zinc/18/93/47/176189347.db2.gz LPBJHSPFSUDRSY-PSASIEDQSA-N 1 0 253.143 2.320 40 0 CEABRO CN(c1cccc(Br)n1)[C@@H]1CCC[NH2+]C1 ZINC000072203507 176341419 /nfs/dbraw/zinc/34/14/19/176341419.db2.gz QVKIMZLMQJAUHR-SECBINFHSA-N 1 0 270.174 2.032 40 0 CEABRO CCOC(=O)C[C@@H](c1ccc(OC)cc1)[NH+](C)C ZINC000072210290 176342763 /nfs/dbraw/zinc/34/27/63/176342763.db2.gz DREMLXMADRUZDQ-ZDUSSCGKSA-N 1 0 251.326 2.251 40 0 CEABRO Cc1cc(=O)cc(C2CC[NH+](Cc3cnn(C)c3)CC2)[nH]1 ZINC000072364271 176379152 /nfs/dbraw/zinc/37/91/52/176379152.db2.gz BGTNJLUZPGADFO-UHFFFAOYSA-N 1 0 286.379 2.209 40 0 CEABRO COc1cccc(OCCc2cc([C@@H]3CC[NH2+]C3)[nH]n2)c1 ZINC000072374097 176384928 /nfs/dbraw/zinc/38/49/28/176384928.db2.gz QDPWFEGGXYYZRE-GFCCVEGCSA-N 1 0 287.363 2.117 40 0 CEABRO Cc1ccn(CCNc2cccc([C@@H]3CCC[NH2+]3)n2)n1 ZINC000072386895 176392319 /nfs/dbraw/zinc/39/23/19/176392319.db2.gz MOJMFIYODRWDNE-ZDUSSCGKSA-N 1 0 271.368 2.123 40 0 CEABRO COc1ccc(CN2C[C@@H]3CCC[N@@H+]3C[C@H]2C)cc1OC ZINC000072397533 176395091 /nfs/dbraw/zinc/39/50/91/176395091.db2.gz AACBDFFUMQVXBK-HIFRSBDPSA-N 1 0 290.407 2.372 40 0 CEABRO OC[C@H]1CCC[N@H+](Cc2cccn2-c2cccnc2)C1 ZINC000072397792 176395453 /nfs/dbraw/zinc/39/54/53/176395453.db2.gz WJIKCWUJUHFSAM-AWEZNQCLSA-N 1 0 271.364 2.077 40 0 CEABRO COc1cccc(F)c1-c1noc(C2CC[NH2+]CC2)n1 ZINC000075904275 176819488 /nfs/dbraw/zinc/81/94/88/176819488.db2.gz QJSLFCAMNXIWAL-UHFFFAOYSA-N 1 0 277.299 2.351 40 0 CEABRO CC(C)C(=O)N1Cc2ccccc2C2(CC[NH2+]CC2)C1 ZINC000096157332 260563976 /nfs/dbraw/zinc/56/39/76/260563976.db2.gz AFIIEVMAIMBPGB-UHFFFAOYSA-N 1 0 272.392 2.306 40 0 CEABRO CC[N@H+](Cc1ccccc1)[C@H]1CC[C@H]([NH2+]CC(=O)[O-])CC1 ZINC000242677120 261267685 /nfs/dbraw/zinc/26/76/85/261267685.db2.gz SYVYCADJXVQLMC-WKILWMFISA-N 1 0 290.407 2.494 40 0 CEABRO CCN1C(=O)[C@@H](c2ccccc2)CC12CC[NH2+]CC2 ZINC000096261142 265348996 /nfs/dbraw/zinc/34/89/96/265348996.db2.gz FOMRMOLZVOFTCE-CQSZACIVSA-N 1 0 258.365 2.145 40 0 CEABRO CCO[C@@H]1COC2(C1)CC[NH+](Cc1ccoc1)CC2 ZINC000096048099 276339815 /nfs/dbraw/zinc/33/98/15/276339815.db2.gz FQQOKWMAZXNRDL-AWEZNQCLSA-N 1 0 265.353 2.440 40 0 CEABRO CN1c2ccccc2NC2(CC[NH+](CC3CC3)CC2)C1=O ZINC000306139830 277217388 /nfs/dbraw/zinc/21/73/88/277217388.db2.gz UBUCXGVEJCVQIC-UHFFFAOYSA-N 1 0 285.391 2.320 40 0 CEABRO CC[NH+](CC)C[C@H]1Cn2nccc2CN(C2CCC2)C1 ZINC000248250038 279136427 /nfs/dbraw/zinc/13/64/27/279136427.db2.gz LMUKFVRNOKEITH-CQSZACIVSA-N 1 0 276.428 2.209 40 0 CEABRO CC[NH+]1CCC(N2CCC[C@@H]2c2cncc(NC)n2)CC1 ZINC000257279023 279258700 /nfs/dbraw/zinc/25/87/00/279258700.db2.gz OERJLGCCLVYGMV-OAHLLOKOSA-N 1 0 289.427 2.140 40 0 CEABRO CC(C)[NH2+]C[C@H](O)COC1C2CC3CC(C2)CC1C3 ZINC000000358615 279608423 /nfs/dbraw/zinc/60/84/23/279608423.db2.gz HCXHUTBJSKJQOH-CGAUPDFVSA-N 1 0 267.413 2.187 40 0 CEABRO C[NH+](C)C[C@@H](O)CO[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C ZINC000009970708 289189675 /nfs/dbraw/zinc/18/96/75/289189675.db2.gz QHOISADSPHRGIG-BHPKHCPMSA-N 1 0 255.402 2.140 40 0 CEABRO CNC(=O)C(C)(C)C[NH2+][C@H]1C[C@H]2C[C@@H]1[C@@H]1CCC[C@@H]21 ZINC000195550215 290347504 /nfs/dbraw/zinc/34/75/04/290347504.db2.gz YMQKHTSKUCONSD-ITGHMWBKSA-N 1 0 264.413 2.173 40 0 CEABRO COc1ccc(C)c2c(N3CC[NH2+]CC3)cc(C)nc12 ZINC000084191301 536786061 /nfs/dbraw/zinc/78/60/61/536786061.db2.gz ZFZPDLUTMGWZOG-UHFFFAOYSA-N 1 0 271.364 2.270 40 0 CEABRO [NH3+][C@H](Cc1ccccc1)c1nc(-c2ccco2)n[nH]1 ZINC000095534823 185007930 /nfs/dbraw/zinc/00/79/30/185007930.db2.gz LDPXCDVQEVKNNU-LLVKDONJSA-N 1 0 254.293 2.307 40 0 CEABRO CCN1C(=O)CC[C@@]12CCC[N@H+](Cc1ccccn1)CC2 ZINC000096047504 185072839 /nfs/dbraw/zinc/07/28/39/185072839.db2.gz FBDQBYLYIACXTE-QGZVFWFLSA-N 1 0 287.407 2.449 40 0 CEABRO O=C1N(Cc2ccncc2)CC[C@@]12CCC[N@H+](CC1CC1)C2 ZINC000096048691 185073317 /nfs/dbraw/zinc/07/33/17/185073317.db2.gz HEFLPLCKYLQLHZ-GOSISDBHSA-N 1 0 299.418 2.306 40 0 CEABRO CC(C)Oc1ncnc2c1CC[N@H+](CC1CC1)CC2 ZINC000096058785 185078493 /nfs/dbraw/zinc/07/84/93/185078493.db2.gz MUFHXKNROOISTP-UHFFFAOYSA-N 1 0 261.369 2.074 40 0 CEABRO c1ccc(O[C@@H]2CC[C@H]3[C@H]2OCC[N@H+]3CC2CC2)nc1 ZINC000096058051 185079380 /nfs/dbraw/zinc/07/93/80/185079380.db2.gz GMIWAQWZFNNNTK-SQWLQELKSA-N 1 0 274.364 2.102 40 0 CEABRO C[N@@H+]1CCC[C@]2(CCN(Cc3cccc(F)c3)C2=O)C1 ZINC000096074100 185087634 /nfs/dbraw/zinc/08/76/34/185087634.db2.gz NYZLNQASSTUCDJ-INIZCTEOSA-N 1 0 276.355 2.270 40 0 CEABRO c1nc(C[NH+]2CCC3(C[C@H](c4cccnc4)CO3)CC2)c[nH]1 ZINC000096073009 185088807 /nfs/dbraw/zinc/08/88/07/185088807.db2.gz WXTBMCINQWCSHK-HNNXBMFYSA-N 1 0 298.390 2.343 40 0 CEABRO c1ccc(O[C@H]2CO[C@@]3(CC[N@@H+](C4CCC4)C3)C2)nc1 ZINC000096107845 185099620 /nfs/dbraw/zinc/09/96/20/185099620.db2.gz UDUJFRSEEMIXON-ZBFHGGJFSA-N 1 0 274.364 2.246 40 0 CEABRO Fc1ccc(-c2noc(C3CC[NH2+]CC3)n2)cc1F ZINC000036888254 361866733 /nfs/dbraw/zinc/86/67/33/361866733.db2.gz MUIITCYWYVTPPB-UHFFFAOYSA-N 1 0 265.263 2.482 40 0 CEABRO COc1ccc(CN(C(=O)[C@@H]([NH3+])C(C)C)C2CC2)cc1 ZINC000037801554 361944320 /nfs/dbraw/zinc/94/43/20/361944320.db2.gz USFZCHNDTXNAQB-HNNXBMFYSA-N 1 0 276.380 2.170 40 0 CEABRO COc1ccccc1CN(C(=O)[C@@H]([NH3+])C(C)C)C1CC1 ZINC000037816862 361949271 /nfs/dbraw/zinc/94/92/71/361949271.db2.gz CVHASCLIIWXKJC-HNNXBMFYSA-N 1 0 276.380 2.170 40 0 CEABRO CCC(CC)NC(=O)c1cnc([C@@H]2CCC[NH2+]2)nc1C ZINC000019766772 343374583 /nfs/dbraw/zinc/37/45/83/343374583.db2.gz HKUXQACHLKXLAN-ZDUSSCGKSA-N 1 0 276.384 2.128 40 0 CEABRO [NH3+][C@H]1CCN(CC(=O)c2ccc(Cl)cc2Cl)C1 ZINC000050242379 343542713 /nfs/dbraw/zinc/54/27/13/343542713.db2.gz FZTLWUOEBDPYGT-VIFPVBQESA-N 1 0 273.163 2.209 40 0 CEABRO Cc1ccc([C@H]2C[NH2+]C[C@H]2NC(=O)OC(C)(C)C)o1 ZINC000409422474 344887992 /nfs/dbraw/zinc/88/79/92/344887992.db2.gz GIKDBHULHZGVOK-WDEREUQCSA-N 1 0 266.341 2.168 40 0 CEABRO c1ccn([C@@H](Cc2ccccc2)c2noc(C3C[NH2+]C3)n2)c1 ZINC000409438867 344889650 /nfs/dbraw/zinc/88/96/50/344889650.db2.gz DTZGTBAUCBWCOZ-HNNXBMFYSA-N 1 0 294.358 2.390 40 0 CEABRO [NH3+]CCc1nc([C@H](C2CCCC2)n2cccc2)no1 ZINC000409442253 344889666 /nfs/dbraw/zinc/88/96/66/344889666.db2.gz UIMXKJJAUWSQEL-ZDUSSCGKSA-N 1 0 260.341 2.152 40 0 CEABRO Cc1ccc(C[C@H]2[C@@H](O)CCC[N@@H+]2Cc2cc[nH]n2)cc1 ZINC000585274365 345009450 /nfs/dbraw/zinc/00/94/50/345009450.db2.gz JTCUNUPKGKJNHL-IRXDYDNUSA-N 1 0 285.391 2.286 40 0 CEABRO Cc1ccc(-c2ccc3nnc([C@@H](C)[NH3+])n3n2)cc1 ZINC000058021726 362606660 /nfs/dbraw/zinc/60/66/60/362606660.db2.gz IIXXTPPPLNYPTC-SNVBAGLBSA-N 1 0 253.309 2.119 40 0 CEABRO CC(C)C[NH2+]C1(Cc2cc(-c3ccccn3)on2)COC1 ZINC000067898260 362931287 /nfs/dbraw/zinc/93/12/87/362931287.db2.gz LFINQZIIYKOAKJ-UHFFFAOYSA-N 1 0 287.363 2.294 40 0 biogenic,in-vitro CEABRO O=C(OCc1ccccc1)N1CCC[C@]12CC[NH2+]C2 ZINC000091297375 180125439 /nfs/dbraw/zinc/12/54/39/180125439.db2.gz SSUHQBDSVBXYAW-OAHLLOKOSA-N 1 0 260.337 2.151 40 0 CEABRO c1cc(C[N@H+]2CC[C@@]3(C[C@@H](OCC4CC4)CO3)C2)ccn1 ZINC000107225668 186163368 /nfs/dbraw/zinc/16/33/68/186163368.db2.gz HYDQXXYKNSXRQR-IAGOWNOFSA-N 1 0 288.391 2.242 40 0 CEABRO CCOC[C@@H]1C[NH2+]Cc2cn(CC3CCCC3)nc21 ZINC000107491100 186176082 /nfs/dbraw/zinc/17/60/82/186176082.db2.gz ZIWCLBGXDCFSAB-AWEZNQCLSA-N 1 0 263.385 2.297 40 0 CEABRO O=C1NCC[C@]12CCC[N@@H+](Cc1cncc(Cl)c1)CC2 ZINC000108528098 186220762 /nfs/dbraw/zinc/22/07/62/186220762.db2.gz MYTQYAQKEWGIRB-HNNXBMFYSA-N 1 0 293.798 2.227 40 0 CEABRO CNC(=O)[C@H]1CCC[C@]12CC[N@H+](Cc1ccco1)C2 ZINC000108524624 186221225 /nfs/dbraw/zinc/22/12/25/186221225.db2.gz YLFKXFAUQCEXAA-UKRRQHHQSA-N 1 0 262.353 2.018 40 0 CEABRO CN(C)c1nc2ccccc2cc1C[N@@H+]1CCC[C@@H](O)C1 ZINC000072397805 363132587 /nfs/dbraw/zinc/13/25/87/363132587.db2.gz ONMVZLKPZWGFPT-OAHLLOKOSA-N 1 0 285.391 2.258 40 0 CEABRO CCS(=O)(=O)[C@H](C)[C@@H]([NH3+])c1ccc(Cl)cc1 ZINC000075418399 363463079 /nfs/dbraw/zinc/46/30/79/363463079.db2.gz YRFZHFIMDNRDHX-LDYMZIIASA-N 1 0 261.774 2.163 40 0 CEABRO C[C@H]([NH3+])C(=O)N(C)Cc1cc(Cl)ccc1Cl ZINC000079420261 363598776 /nfs/dbraw/zinc/59/87/76/363598776.db2.gz SOJKNNWOYKPXTR-ZETCQYMHSA-N 1 0 261.152 2.299 40 0 CEABRO C[C@@H](c1cccc(Cl)c1)N(C(=O)C[NH3+])C1CC1 ZINC000079421130 363599124 /nfs/dbraw/zinc/59/91/24/363599124.db2.gz YSXNIAKRQUVIOY-VIFPVBQESA-N 1 0 252.745 2.351 40 0 CEABRO CC(C)[NH2+]C[C@@H](O)COc1cccc2cc([C@H](C)O)oc21 ZINC000002002690 361224788 /nfs/dbraw/zinc/22/47/88/361224788.db2.gz SOBIXRUSPZTLPQ-WCQYABFASA-N 1 0 293.363 2.224 40 0 CEABRO O=C(NC1CCCCC1)NC1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000012644877 361394821 /nfs/dbraw/zinc/39/48/21/361394821.db2.gz INCISGQVXFFBJL-PBWFPOADSA-N 1 0 265.401 2.291 40 0 CEABRO Cc1cc(C)c2cc(C[NH2+]C3CC3)c3nn(C)c(=O)n3c2c1 ZINC000012325218 361377908 /nfs/dbraw/zinc/37/79/08/361377908.db2.gz SQUYNCFOMZLYQG-UHFFFAOYSA-N 1 0 296.374 2.055 40 0 CEABRO COc1ccc([C@H]([NH3+])CNC(=O)OC(C)(C)C)cc1OC ZINC000012357117 361378898 /nfs/dbraw/zinc/37/88/98/361378898.db2.gz CBRLLEQPSYHBMS-LLVKDONJSA-N 1 0 296.367 2.228 40 0 CEABRO O[C@@H]1C[C@@H](c2nc(-c3ccccc3)no2)[N@H+](CC2CC2)C1 ZINC000015674124 361476372 /nfs/dbraw/zinc/47/63/72/361476372.db2.gz NEDGEJRAGACATF-KGLIPLIRSA-N 1 0 285.347 2.254 40 0 biogenic,in-vitro CEABRO COc1cccc(NC(=O)COc2ccc(C[NH3+])cc2)c1 ZINC000019259946 361522372 /nfs/dbraw/zinc/52/23/72/361522372.db2.gz XOMCIRGBUBNLRO-UHFFFAOYSA-N 1 0 286.331 2.171 40 0 CEABRO Cc1ccccc1NC(=O)COc1cccc(C[NH3+])c1 ZINC000019279818 361525240 /nfs/dbraw/zinc/52/52/40/361525240.db2.gz JAWKGIITWBIKQW-UHFFFAOYSA-N 1 0 270.332 2.471 40 0 CEABRO CCc1cc(=O)[nH]c([C@H]2CCC[N@H+](Cc3ccncc3)C2)n1 ZINC000019522519 361541418 /nfs/dbraw/zinc/54/14/18/361541418.db2.gz AFDAUQGIYIERMF-AWEZNQCLSA-N 1 0 298.390 2.107 40 0 CEABRO Brc1ccc2c(c1)CC[C@H]2N1CC[NH2+]CC1 ZINC000089064519 363926631 /nfs/dbraw/zinc/92/66/31/363926631.db2.gz WCEIEUVPWMKTLC-CYBMUJFWSA-N 1 0 281.197 2.342 40 0 CEABRO [NH3+]Cc1cncn1Cc1ccccc1C(F)(F)F ZINC000090242342 364050940 /nfs/dbraw/zinc/05/09/40/364050940.db2.gz MYCBTUOMNKZNNK-UHFFFAOYSA-N 1 0 255.243 2.409 40 0 CEABRO CN(C)C(=O)C[NH+]1CCC2(C=Cc3ccccc32)CC1 ZINC000096161154 364403428 /nfs/dbraw/zinc/40/34/28/364403428.db2.gz RHBFMGWBEXKUJV-UHFFFAOYSA-N 1 0 270.376 2.135 40 0 CEABRO c1cc(C[N@H+]2C[C@@H]3COC[C@]3(COCC3CC3)C2)co1 ZINC000096206873 364410925 /nfs/dbraw/zinc/41/09/25/364410925.db2.gz HFZCUYYKFNNQFY-HZPDHXFCSA-N 1 0 277.364 2.155 40 0 CEABRO CCOC[C@H]1Cn2cncc2C[N@H+](CC2CCC2)C1 ZINC000096207644 364411316 /nfs/dbraw/zinc/41/13/16/364411316.db2.gz KVWINNQXAXBOER-CQSZACIVSA-N 1 0 263.385 2.152 40 0 CEABRO CO[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1ccc(C)o1)C2 ZINC000096218403 364412985 /nfs/dbraw/zinc/41/29/85/364412985.db2.gz KCHYSWAQCJBRHZ-GJZGRUSLSA-N 1 0 265.353 2.358 40 0 CEABRO CNC(=O)C[C@@H]1CC2(CC[NH+](C)CC2)c2ccccc21 ZINC000096241921 364417122 /nfs/dbraw/zinc/41/71/22/364417122.db2.gz BFVMTQDIYADJDW-CYBMUJFWSA-N 1 0 272.392 2.273 40 0 CEABRO C[C@@H]1C[C@H](NCc2ccc3c(c2)OCO3)[C@@H](C)C[N@@H+]1C ZINC000101912042 364578411 /nfs/dbraw/zinc/57/84/11/364578411.db2.gz RSTSMVMSMDWOHJ-SCRDCRAPSA-N 1 0 276.380 2.234 40 0 CEABRO c1ccc(C[C@H]2C[N@@H+](C3CCOCC3)CCO2)cc1 ZINC000161679672 367104986 /nfs/dbraw/zinc/10/49/86/367104986.db2.gz OAUSKDBSWDQYQN-INIZCTEOSA-N 1 0 261.365 2.109 40 0 CEABRO CCOc1ccccc1C(=O)N1CCC[C@@]2(CC[N@@H+]2C)C1 ZINC000585101933 367177843 /nfs/dbraw/zinc/17/78/43/367177843.db2.gz LWLLRDWMCMXZMY-QGZVFWFLSA-N 1 0 288.391 2.396 40 0 CEABRO COc1ccc(OC)c(N[C@H]2CCCC[C@H]2[NH3+])c1 ZINC000218863497 370213936 /nfs/dbraw/zinc/21/39/36/370213936.db2.gz BKLNFQIKBLLQLC-NEPJUHHUSA-N 1 0 250.342 2.386 40 0 CEABRO Cc1ccc(S(=O)(=O)[C@H]2[C@H]([NH3+])[C@@H]2c2ccccc2)cc1 ZINC000218052848 370205909 /nfs/dbraw/zinc/20/59/09/370205909.db2.gz JHMTZCUCRRKLTK-ARFHVFGLSA-N 1 0 287.384 2.262 40 0 CEABRO Fc1cccc(OCc2cc([C@@H]3CC[NH2+]C3)n[nH]2)c1 ZINC000257344138 371613684 /nfs/dbraw/zinc/61/36/84/371613684.db2.gz ZVXXZHDYCLMMRU-SNVBAGLBSA-N 1 0 261.300 2.205 40 0 CEABRO Cc1cc(N2CCO[C@@H](Cc3cccc(F)c3)C2)ncn1 ZINC000257323370 371613756 /nfs/dbraw/zinc/61/37/56/371613756.db2.gz WJWYZALNGTYEHB-HNNXBMFYSA-N 1 0 287.338 2.372 40 0 CEABRO Cc1cn(C)c([C@@H]2CCCN(C(=O)c3cscn3)C2)n1 ZINC000257312663 371613841 /nfs/dbraw/zinc/61/38/41/371613841.db2.gz UPAHBIAXWZBBMF-LLVKDONJSA-N 1 0 290.392 2.205 40 0 CEABRO C[C@@H]1COC2(CCN(C(=O)OC(C)(C)C)CC2)CC[NH2+]1 ZINC000409429603 375524242 /nfs/dbraw/zinc/52/42/42/375524242.db2.gz CXJNADZQBSTXGR-GFCCVEGCSA-N 1 0 284.400 2.155 40 0 CEABRO C[NH+](C)CCCNCc1cnn(C2CCCC2)c1 ZINC000256050507 190003159 /nfs/dbraw/zinc/00/31/59/190003159.db2.gz FGXVZVOGGPGVFE-UHFFFAOYSA-N 1 0 250.390 2.040 40 0 CEABRO CCCn1cc(C[NH2+]Cc2cnn(CC(C)C)c2)cn1 ZINC000256052131 190004263 /nfs/dbraw/zinc/00/42/63/190004263.db2.gz MAHKDBGSJLQNKF-UHFFFAOYSA-N 1 0 275.400 2.435 40 0 CEABRO CC[C@H](C)n1nccc1C[NH2+]Cc1cnn(C)c1C ZINC000256052213 190004428 /nfs/dbraw/zinc/00/44/28/190004428.db2.gz MJGDQTGEGSWHFN-NSHDSACASA-N 1 0 261.373 2.186 40 0 CEABRO [NH3+]CC1CCC(c2ccnc(Nc3cnccn3)n2)CC1 ZINC000257206012 190011178 /nfs/dbraw/zinc/01/11/78/190011178.db2.gz BBMXNMBPPUFQFE-UHFFFAOYSA-N 1 0 284.367 2.243 40 0 CEABRO CC1(c2nccs2)CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000257208992 190012011 /nfs/dbraw/zinc/01/20/11/190012011.db2.gz BOMHRBNGLVUYHZ-UHFFFAOYSA-N 1 0 293.436 2.119 40 0 CEABRO CC1(c2nccs2)CC[NH+](CC2(O)CCOCC2)CC1 ZINC000257230485 190016590 /nfs/dbraw/zinc/01/65/90/190016590.db2.gz GCNPJDJVDPVFNG-UHFFFAOYSA-N 1 0 296.436 2.038 40 0 CEABRO CC(C)n1nccc1-c1cc(C[C@@H]2CC[NH2+]C2)ncn1 ZINC000257227568 190015263 /nfs/dbraw/zinc/01/52/63/190015263.db2.gz FPYFACAVUOANJF-LBPRGKRZSA-N 1 0 271.368 2.073 40 0 CEABRO Cc1cccnc1Nc1cncc(C2CC[NH2+]CC2)n1 ZINC000257238170 190018001 /nfs/dbraw/zinc/01/80/01/190018001.db2.gz HJWGNBVCZZUEPR-UHFFFAOYSA-N 1 0 269.352 2.391 40 0 CEABRO C[NH+](C)Cc1cnn(-c2ccccc2C(=O)NCC2CC2)c1 ZINC000257244687 190019295 /nfs/dbraw/zinc/01/92/95/190019295.db2.gz IMJMPSITOSWFSU-UHFFFAOYSA-N 1 0 298.390 2.074 40 0 CEABRO CCCn1cc(-c2cnc(C[C@H]3CCC[NH2+]C3)cn2)cn1 ZINC000257248765 190019775 /nfs/dbraw/zinc/01/97/75/190019775.db2.gz JFCTVVDSQNPUQD-CYBMUJFWSA-N 1 0 285.395 2.292 40 0 CEABRO COc1ccccc1C(=O)N1CCC[C@]2(C)[NH2+]CCC[C@@H]12 ZINC000257261430 190022053 /nfs/dbraw/zinc/02/20/53/190022053.db2.gz LHGSSOMLDKPHJA-WBVHZDCISA-N 1 0 288.391 2.442 40 0 CEABRO Cc1cccnc1Nc1nccc([C@@H]2CC[NH2+]C2)n1 ZINC000257282792 190026334 /nfs/dbraw/zinc/02/63/34/190026334.db2.gz OVIJDOJIYRQXDV-LLVKDONJSA-N 1 0 255.325 2.001 40 0 CEABRO CC(C)[N@@H+]1CCC[C@H](c2cnc(-c3cnn(C)c3)cn2)C1 ZINC000257288350 190026877 /nfs/dbraw/zinc/02/68/77/190026877.db2.gz PTWLGKGKEVWEGK-ZDUSSCGKSA-N 1 0 285.395 2.465 40 0 CEABRO CC(C)C[N@@H+]1CC[C@@H](Cc2cncc(-c3nccn3C)n2)C1 ZINC000257275661 190024815 /nfs/dbraw/zinc/02/48/15/190024815.db2.gz NQHUAVDCOMMHBE-AWEZNQCLSA-N 1 0 299.422 2.398 40 0 CEABRO CCc1nc(C)c(C[N@@H+]2CC[C@@]3(CCCO3)[C@@H](OC)C2)[nH]1 ZINC000257327914 190034589 /nfs/dbraw/zinc/03/45/89/190034589.db2.gz XDINEOJKYUSODN-HOCLYGCPSA-N 1 0 293.411 2.050 40 0 CEABRO CC[N@@H+]1CC[C@H](O)[C@@H](Oc2ccc(F)cc2)CC1 ZINC000257329965 190034762 /nfs/dbraw/zinc/03/47/62/190034762.db2.gz XMFOWSKXNFUWFL-KBPBESRZSA-N 1 0 253.317 2.050 40 0 CEABRO c1cncc(C[C@H]2CCC[N@H+](Cc3cnccn3)C2)c1 ZINC000257327385 190035045 /nfs/dbraw/zinc/03/50/45/190035045.db2.gz XBCWHXDTDYGQNR-OAHLLOKOSA-N 1 0 268.364 2.326 40 0 CEABRO c1cc(-c2ccc3nc([C@@H]4CCC[NH2+]C4)nn3c2)ccn1 ZINC000306143054 376540412 /nfs/dbraw/zinc/54/04/12/376540412.db2.gz XRWLQXROBXOCOU-CYBMUJFWSA-N 1 0 279.347 2.258 40 0 CEABRO CC[C@@H]([NH3+])c1cnc(I)c(C)c1 ZINC000072225964 256703518 /nfs/dbraw/zinc/70/35/18/256703518.db2.gz QBEXOEQNYUZLNX-MRVPVSSYSA-N 1 0 276.121 2.404 40 0 CEABRO COc1cccc(NCCc2nnc([C@@H]([NH3+])C(C)C)[nH]2)c1 ZINC000095534744 256745322 /nfs/dbraw/zinc/74/53/22/256745322.db2.gz KAIWZTIPMIZNCY-AWEZNQCLSA-N 1 0 289.383 2.124 40 0 CEABRO c1coc(-c2cc3ncc4c(n3n2)C[C@H]2CC[C@@H]4[NH2+]2)c1 ZINC000019342535 285561889 /nfs/dbraw/zinc/56/18/89/285561889.db2.gz SXKNIILRFGAMKG-KOLCDFICSA-N 1 0 266.304 2.339 40 0 CEABRO CC[C@H]1C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1O ZINC000005339257 394458021 /nfs/dbraw/zinc/45/80/21/394458021.db2.gz LYDWUTUOAGCHNM-CQDKDKBSSA-N 1 0 291.391 2.394 40 0 CEABRO CCNc1ncc(C[NH2+]CCc2ccccc2)cn1 ZINC000062717523 394570989 /nfs/dbraw/zinc/57/09/89/394570989.db2.gz WHVRXIBEKKKCSV-UHFFFAOYSA-N 1 0 256.353 2.241 40 0 CEABRO CCOC(=O)[C@H](CN)C1([NH+](CC)CC)CCCCC1 ZINC000072210446 394592300 /nfs/dbraw/zinc/59/23/00/394592300.db2.gz FUKUZUIIROTEPD-ZDUSSCGKSA-N 1 0 270.417 2.169 40 0 CEABRO CN(C)C(=O)c1sc2ncccc2c1[C@@H]1CC[N@H+](C)C1 ZINC000072352551 394598491 /nfs/dbraw/zinc/59/84/91/394598491.db2.gz VVAKWBLADKTCFQ-SNVBAGLBSA-N 1 0 289.404 2.417 40 0 CEABRO CC(C)C[N@H+](Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000072953120 394602324 /nfs/dbraw/zinc/60/23/24/394602324.db2.gz GNNRZPHFKMGXRH-OAHLLOKOSA-N 1 0 281.421 2.332 40 0 CEABRO CCc1ncnc2c1CC[N@H+](Cc1ccco1)CC2 ZINC000096058603 394675245 /nfs/dbraw/zinc/67/52/45/394675245.db2.gz VKQPEECUODFFCE-UHFFFAOYSA-N 1 0 257.337 2.233 40 0 CEABRO c1c2c(cc3c1CC[NH2+][C@@H]3C1CCOCC1)OCO2 ZINC000072398462 296599989 /nfs/dbraw/zinc/59/99/89/296599989.db2.gz OZHHHIBEBYCKKU-OAHLLOKOSA-N 1 0 261.321 2.029 40 0 CEABRO O[C@H](COc1ccccc1)C[N@@H+]1CCc2ccccc2C1 ZINC000006529955 170210946 /nfs/dbraw/zinc/21/09/46/170210946.db2.gz YXZACQIXSNSCCQ-KRWDZBQOSA-N 1 0 283.371 2.485 40 0 CEABRO OCC[NH2+][C@H](Cc1ccccc1)c1ccc2c(c1)OCO2 ZINC000006580776 170215187 /nfs/dbraw/zinc/21/51/87/170215187.db2.gz XZWQYZONYJHSGY-OAHLLOKOSA-N 1 0 285.343 2.281 40 0 CEABRO CC[NH+](CC)CC(=O)Nc1ccc(N)cc1Cl ZINC000008732423 170351551 /nfs/dbraw/zinc/35/15/51/170351551.db2.gz MYZYGTNEFGLCTJ-UHFFFAOYSA-N 1 0 255.749 2.203 40 0 CEABRO O=c1[nH]c2cc3c(cc2cc1C[NH2+]C1CCCC1)OCO3 ZINC000013566539 170563423 /nfs/dbraw/zinc/56/34/23/170563423.db2.gz SVGDNJGCOKIQDW-UHFFFAOYSA-N 1 0 286.331 2.289 40 0 CEABRO Cc1ccc(NC(=O)COc2cccc(C[NH3+])c2)cc1 ZINC000019271051 170766951 /nfs/dbraw/zinc/76/69/51/170766951.db2.gz OZBHXWFVLRPKGW-UHFFFAOYSA-N 1 0 270.332 2.471 40 0 CEABRO c1ccc(CN2CCN(CC[NH+]3CCCCC3)CC2)cc1 ZINC000022585986 171393263 /nfs/dbraw/zinc/39/32/63/171393263.db2.gz VVLVGZJFLAWJJM-UHFFFAOYSA-N 1 0 287.451 2.290 40 0 CEABRO Cc1cccc(NC(=O)C[NH2+]CCN2CCCCC2)c1C ZINC000035311501 172122356 /nfs/dbraw/zinc/12/23/56/172122356.db2.gz NIPONSOSPMCAPK-UHFFFAOYSA-N 1 0 289.423 2.317 40 0 CEABRO O=C(NC1CC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000038850067 174157994 /nfs/dbraw/zinc/15/79/94/174157994.db2.gz HAQHTXXFBMZFQN-CQSZACIVSA-N 1 0 258.365 2.177 40 0 CEABRO CCCNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000038857451 174158196 /nfs/dbraw/zinc/15/81/96/174158196.db2.gz NHTWGAXDXYMUJZ-HNNXBMFYSA-N 1 0 260.381 2.425 40 0 CEABRO CCCC[C@H]1CN(Cc2ccccc2C(=O)OC)CC[NH2+]1 ZINC000039952525 174177321 /nfs/dbraw/zinc/17/73/21/174177321.db2.gz WQLMEPDMKSICJJ-HNNXBMFYSA-N 1 0 290.407 2.437 40 0 CEABRO CCc1ccccc1O[C@H](C)C(=O)NCCC[NH+](C)C ZINC000044885969 175270447 /nfs/dbraw/zinc/27/04/47/175270447.db2.gz DBBLCKIVNUIHLD-CYBMUJFWSA-N 1 0 278.396 2.084 40 0 CEABRO c1ccc(N2CCC[N@@H+](Cc3ccncc3)CC2)nc1 ZINC000072351001 176373500 /nfs/dbraw/zinc/37/35/00/176373500.db2.gz WEJXQOYCYYWEFT-UHFFFAOYSA-N 1 0 268.364 2.189 40 0 CEABRO C[NH+]1CCC(c2nccnc2NCc2ccncc2)CC1 ZINC000072364979 176380107 /nfs/dbraw/zinc/38/01/07/176380107.db2.gz DBTJRDMWVQLCHU-UHFFFAOYSA-N 1 0 283.379 2.293 40 0 CEABRO CC(C)Cn1cc2[nH]c([C@H]3CCC[NH2+]3)ccc-2c1=O ZINC000072382291 176387963 /nfs/dbraw/zinc/38/79/63/176387963.db2.gz YOXFOPIDODSPKS-GFCCVEGCSA-N 1 0 259.353 2.118 40 0 CEABRO CC(C)Cn1cc2[nH]c([C@@H]3CCC[NH2+]3)ccc-2c1=O ZINC000072382290 176388018 /nfs/dbraw/zinc/38/80/18/176388018.db2.gz YOXFOPIDODSPKS-LBPRGKRZSA-N 1 0 259.353 2.118 40 0 CEABRO c1cc(NCC2CCOCC2)nc(C2CC[NH2+]CC2)c1 ZINC000072386947 176392552 /nfs/dbraw/zinc/39/25/52/176392552.db2.gz OADZAOKYIYVRBV-UHFFFAOYSA-N 1 0 275.396 2.387 40 0 CEABRO CC(C)[C@H]([NH3+])C(=O)N(C(C)C)[C@@H](C)c1nccs1 ZINC000079436406 177490294 /nfs/dbraw/zinc/49/02/94/177490294.db2.gz ZHKAVAMWGLKIBG-QWRGUYRKSA-N 1 0 269.414 2.424 40 0 CEABRO Cc1ccc(-n2ncc3c2nc[nH+]c3NN)cc1Cl ZINC000085398081 274734653 /nfs/dbraw/zinc/73/46/53/274734653.db2.gz HKBRPNDUQIHTKU-UHFFFAOYSA-N 1 0 274.715 2.063 40 0 CEABRO CC(C)(C)OC(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000071606337 275521262 /nfs/dbraw/zinc/52/12/62/275521262.db2.gz VHKNZTWMVNWAOC-CYBMUJFWSA-N 1 0 262.353 2.480 40 0 CEABRO C1CN2CCC1[C@@H]([NH2+]C1C3CC4CC(C3)CC1C4)C2 ZINC000020160721 277759579 /nfs/dbraw/zinc/75/95/79/277759579.db2.gz RIATYXKWZKLAOT-NNOTVXIQSA-N 1 0 260.425 2.495 40 0 CEABRO [NH3+][C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)OCc1ccccc1 ZINC000261300759 328525692 /nfs/dbraw/zinc/52/56/92/328525692.db2.gz GDXKRTUSJPSARB-ZSOGYDGISA-N 1 0 260.337 2.277 40 0 CEABRO CC(C)Nc1ncc(C[NH2+]C[C@H](O)c2ccccc2)cn1 ZINC000062717625 333175878 /nfs/dbraw/zinc/17/58/78/333175878.db2.gz CLXZRCQMBMYQIM-HNNXBMFYSA-N 1 0 286.379 2.120 40 0 CEABRO CCOc1ccccc1NC(=S)NC1CC[NH+](C)CC1 ZINC000013775598 528746916 /nfs/dbraw/zinc/74/69/16/528746916.db2.gz HUMAMCJKNWJVKC-UHFFFAOYSA-N 1 0 293.436 2.466 40 0 CEABRO COc1ccc(OCc2n[nH]c([C@H]([NH3+])C(C)C)n2)cc1 ZINC000095534739 185005751 /nfs/dbraw/zinc/00/57/51/185005751.db2.gz GSBFUBFQPITBHB-CYBMUJFWSA-N 1 0 276.340 2.048 40 0 CEABRO [NH3+][C@H](Cc1ccccc1)c1nnc(-c2cccc(O)c2)[nH]1 ZINC000095534847 185008144 /nfs/dbraw/zinc/00/81/44/185008144.db2.gz IOHTVRNCKHTFNG-CQSZACIVSA-N 1 0 280.331 2.420 40 0 CEABRO Cc1nnc([C@@H]2CC[C@@H]3[C@@H](CC[N@@H+]3C3CCC3)O2)o1 ZINC000096040922 185069384 /nfs/dbraw/zinc/06/93/84/185069384.db2.gz FECKZCIDNKMEBZ-UPJWGTAASA-N 1 0 263.341 2.225 40 0 CEABRO CC[C@@H]1[N@H+](CC2CC2)CCC[C@]12CCC(=O)N2CCOC ZINC000096052451 185074298 /nfs/dbraw/zinc/07/42/98/185074298.db2.gz TWXCPHVIGWLQLZ-RDJZCZTQSA-N 1 0 294.439 2.278 40 0 CEABRO CC(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCN2Cc1cccnc1 ZINC000096055780 185076768 /nfs/dbraw/zinc/07/67/68/185076768.db2.gz BBGONHDMDWWHFS-JKSUJKDBSA-N 1 0 259.397 2.386 40 0 CEABRO CCOC[C@]12CCCO[C@@H]1CC[N@H+](CC1CC1)C2 ZINC000096056856 185077714 /nfs/dbraw/zinc/07/77/14/185077714.db2.gz VOVNQHXCLCNOQM-HUUCEWRRSA-N 1 0 253.386 2.304 40 0 CEABRO COc1ccc(C[N@@H+]2CCc3ncnc(OC)c3CC2)cc1 ZINC000096058739 185078974 /nfs/dbraw/zinc/07/89/74/185078974.db2.gz QTLHKXHWZFNRKQ-UHFFFAOYSA-N 1 0 299.374 2.095 40 0 CEABRO Cn1cc2c(n1)[C@H](COCC1CC1)C[N@@H+](CC1CC1)C2 ZINC000096059864 185081551 /nfs/dbraw/zinc/08/15/51/185081551.db2.gz JDUDVFQXSXKBOK-HNNXBMFYSA-N 1 0 275.396 2.156 40 0 CEABRO CCOC[C@@H]1CC2(CO1)CC[NH+](Cc1ccccn1)CC2 ZINC000096105870 185098637 /nfs/dbraw/zinc/09/86/37/185098637.db2.gz IKIYZMSZWYBCNA-INIZCTEOSA-N 1 0 290.407 2.489 40 0 CEABRO Clc1nccc(N2CCC(C[NH+]3CCCC3)CC2)n1 ZINC000038579616 361987064 /nfs/dbraw/zinc/98/70/64/361987064.db2.gz ODKZUTBOGZPYTE-UHFFFAOYSA-N 1 0 280.803 2.442 40 0 CEABRO CC(C)[C@@H](C(=[NH2+])NO)N(C(=O)OC(C)(C)C)C1CC1 ZINC000409442442 344890176 /nfs/dbraw/zinc/89/01/76/344890176.db2.gz VCWQREZZVCXDLM-JTQLQIEISA-N 1 0 271.361 2.367 40 0 CEABRO c1cc2n(n1)[C@@H](CC[NH+]1CCCC1)CN(CC1CC1)C2 ZINC000585112554 345005558 /nfs/dbraw/zinc/00/55/58/345005558.db2.gz SPTLIVYVAYPMNO-INIZCTEOSA-N 1 0 274.412 2.136 40 0 CEABRO OC[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000090726867 180032847 /nfs/dbraw/zinc/03/28/47/180032847.db2.gz JFGJABRNVYTSPQ-GFCCVEGCSA-N 1 0 259.271 2.433 40 0 CEABRO OCC(CO)C1C[NH+](C(c2ccccc2)c2ccccc2)C1 ZINC000091361987 180141611 /nfs/dbraw/zinc/14/16/11/180141611.db2.gz LGOWMIBQEVVRKX-UHFFFAOYSA-N 1 0 297.398 2.309 40 0 CEABRO O=C(C[C@H]1[C@H]2C[N@@H+](Cc3ccsc3)C[C@@H]12)N1CCCC1 ZINC000107745886 186189167 /nfs/dbraw/zinc/18/91/67/186189167.db2.gz QBABJBRIZZQOLL-QDMKHBRRSA-N 1 0 290.432 2.438 40 0 CEABRO Cc1noc([C@@H]2C[C@H]3OCC[C@H]3[N@H+](Cc3ccco3)C2)n1 ZINC000107710872 186187962 /nfs/dbraw/zinc/18/79/62/186187962.db2.gz NOYSDUDNYSKUBB-MRVWCRGKSA-N 1 0 289.335 2.118 40 0 CEABRO COc1ccc(NC(=O)CC2CC[NH+](C)CC2)c(OC)c1 ZINC000074921023 363418739 /nfs/dbraw/zinc/41/87/39/363418739.db2.gz PXTADRSKPVTUKG-UHFFFAOYSA-N 1 0 292.379 2.374 40 0 CEABRO COC(=O)c1ccc(NC(=O)CC2CC[NH+](C)CC2)cc1 ZINC000074921036 363418866 /nfs/dbraw/zinc/41/88/66/363418866.db2.gz OEZKGFIVPYFMGS-UHFFFAOYSA-N 1 0 290.363 2.144 40 0 CEABRO C1C[NH2+][C@@H](c2nc([C@@H]3CCCSCC3)no2)C1 ZINC000575415041 366281197 /nfs/dbraw/zinc/28/11/97/366281197.db2.gz LXHDUNREGKZGCJ-NXEZZACHSA-N 1 0 253.371 2.495 40 0 CEABRO CCNc1nc(NCc2ccccc2)cc(C2CC2)[nH+]1 ZINC000328964990 202131908 /nfs/dbraw/zinc/13/19/08/202131908.db2.gz CAFZGEMOUDIJCU-UHFFFAOYSA-N 1 0 268.364 2.242 40 0 CEABRO CCN(Cc1cccc(Cl)c1Cl)C(=O)C[NH3+] ZINC000079420832 363598523 /nfs/dbraw/zinc/59/85/23/363598523.db2.gz SBGHTJLQZLZOBP-UHFFFAOYSA-N 1 0 261.152 2.301 40 0 CEABRO O=C(OCc1ccccc1)N1CC[C@H](C[NH2+]C2CC2)C1 ZINC000079437274 363600112 /nfs/dbraw/zinc/60/01/12/363600112.db2.gz FIGCSISCBXSSDS-CQSZACIVSA-N 1 0 274.364 2.397 40 0 CEABRO [NH3+]C[C@H]1COC(c2ccccc2)(c2ccccc2)O1 ZINC000001671234 361216217 /nfs/dbraw/zinc/21/62/17/361216217.db2.gz BRMKTNXTLDWFFD-HNNXBMFYSA-N 1 0 255.317 2.262 40 0 CEABRO CC(C)C[C@H](C)[NH2+]CCOC(=O)c1ccc(N)cc1 ZINC000001710464 361218210 /nfs/dbraw/zinc/21/82/10/361218210.db2.gz ZSXCHLJCWRSMMS-LBPRGKRZSA-N 1 0 264.369 2.450 40 0 CEABRO CCOc1ccc(NC(=O)[C@H]2CCC[N@H+](C)C2)cc1 ZINC000001845598 361223173 /nfs/dbraw/zinc/22/31/73/361223173.db2.gz BCVGPQOKYDOMHP-LBPRGKRZSA-N 1 0 262.353 2.366 40 0 CEABRO CC[C@@H](Oc1ccccc1C)C(=O)NCCC[NH+](C)C ZINC000020041471 361574786 /nfs/dbraw/zinc/57/47/86/361574786.db2.gz NDBAGUJXJCUTLW-CQSZACIVSA-N 1 0 278.396 2.220 40 0 CEABRO Cc1cccc(O[C@H](C)C(=O)NCCC[NH+](C)C)c1C ZINC000020040363 361574867 /nfs/dbraw/zinc/57/48/67/361574867.db2.gz OPEANLHVPSGTPW-CQSZACIVSA-N 1 0 278.396 2.139 40 0 CEABRO CC(C)(C)OC(=O)N[C@@H]1CCN(c2cccc(C[NH3+])c2)C1 ZINC000026896413 361646728 /nfs/dbraw/zinc/64/67/28/361646728.db2.gz GYHWGCOCFGBHHQ-CYBMUJFWSA-N 1 0 291.395 2.249 40 0 CEABRO O[C@@]12CCCCC[C@@]1([NH+]1CCOCC1)c1ccccc12 ZINC000031851970 361721252 /nfs/dbraw/zinc/72/12/52/361721252.db2.gz AWVQMXZKIOHRCJ-IAGOWNOFSA-N 1 0 273.376 2.379 40 0 CEABRO [NH3+]Cc1ccccc1CS(=O)(=O)c1ccccc1 ZINC000084267698 363805564 /nfs/dbraw/zinc/80/55/64/363805564.db2.gz XPOVAEFJAUYCFD-UHFFFAOYSA-N 1 0 261.346 2.119 40 0 CEABRO CC(C)(C)OC(=O)N[C@H]1C[NH2+]C[C@H](C(F)(F)F)C1 ZINC000095644263 364393314 /nfs/dbraw/zinc/39/33/14/364393314.db2.gz CUNVTZVWJLBPQS-HTQZYQBOSA-N 1 0 268.279 2.052 40 0 CEABRO CC[C@H](C)[N@@H+]1CC[C@]2(CCN(Cc3ccccn3)C2=O)C1 ZINC000096159489 364403275 /nfs/dbraw/zinc/40/32/75/364403275.db2.gz CMLSGLZDEUOFTP-WMLDXEAASA-N 1 0 287.407 2.305 40 0 CEABRO CC(C)CN1c2ccccc2C[C@]2(CC[NH2+]C2)C1=O ZINC000096157385 364403424 /nfs/dbraw/zinc/40/34/24/364403424.db2.gz NXOWAHKSPJTGPA-INIZCTEOSA-N 1 0 258.365 2.211 40 0 CEABRO COCCN1CC[N@H+](CC2CC2)Cc2ccc(C)nc21 ZINC000096199041 364408866 /nfs/dbraw/zinc/40/88/66/364408866.db2.gz WQFZFDUWZQCXIH-UHFFFAOYSA-N 1 0 275.396 2.068 40 0 CEABRO CN(C)[C@@H]1CC[N@H+](CC2CC2)[C@H]1Cc1ccncc1 ZINC000096201008 364411242 /nfs/dbraw/zinc/41/12/42/364411242.db2.gz ZPJXZJUYBZOURR-CVEARBPZSA-N 1 0 259.397 2.039 40 0 CEABRO Cc1cc(C(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)c(C)o1 ZINC000096215247 364413062 /nfs/dbraw/zinc/41/30/62/364413062.db2.gz CWOYANSJXZHWHZ-MRXNPFEDSA-N 1 0 276.380 2.454 40 0 CEABRO C[N@@H+]1CCCC[C@@]12CCCN(C(=O)c1ccccn1)C2 ZINC000096217578 364413421 /nfs/dbraw/zinc/41/34/21/364413421.db2.gz GZCSOBHEVYZEIE-INIZCTEOSA-N 1 0 273.380 2.172 40 0 CEABRO O=C1[C@H]2C[N@@H+](CC3CC3)C[C@H]2CN1Cc1cccc(F)c1 ZINC000096245300 364416995 /nfs/dbraw/zinc/41/69/95/364416995.db2.gz BXADLIJUVKFDHQ-HOCLYGCPSA-N 1 0 288.366 2.126 40 0 CEABRO CC(C)Oc1cccc(NC(=S)NCC[NH+](C)C)c1 ZINC000225404402 189749559 /nfs/dbraw/zinc/74/95/59/189749559.db2.gz NZRCACAZUNSVKF-UHFFFAOYSA-N 1 0 281.425 2.322 40 0 CEABRO [NH3+]CCOc1ccc2c(c1)CCC(=O)N2CC1CCC1 ZINC000218800582 370212970 /nfs/dbraw/zinc/21/29/70/370212970.db2.gz ZUUKXOZEQXRVCT-UHFFFAOYSA-N 1 0 274.364 2.103 40 0 CEABRO Cc1ccccc1O[C@H](C)C(=O)NCCC[NH+]1CCCC1 ZINC000216362915 370187470 /nfs/dbraw/zinc/18/74/70/370187470.db2.gz ZDEGRBRTIWFRFT-OAHLLOKOSA-N 1 0 290.407 2.364 40 0 CEABRO CC(C)(C)[NH2+]C[C@H](O)c1ncccc1Br ZINC000217530270 370196719 /nfs/dbraw/zinc/19/67/19/370196719.db2.gz LYDCAOGFURSQDD-VIFPVBQESA-N 1 0 273.174 2.266 40 0 CEABRO COc1ccc(-c2ccc3nnc([C@H]4CCC[NH2+]4)n3n2)cc1 ZINC000217556283 370196724 /nfs/dbraw/zinc/19/67/24/370196724.db2.gz LNRJIKLYLYKQRM-CQSZACIVSA-N 1 0 295.346 2.224 40 0 CEABRO c1nn(C2CC[NH2+]CC2)c2ncnc(Nc3ccccc3)c12 ZINC000228941121 370416388 /nfs/dbraw/zinc/41/63/88/370416388.db2.gz GTGWWUVWUGFPKH-UHFFFAOYSA-N 1 0 294.362 2.494 40 0 CEABRO CN(C(=O)c1nccc2ccccc21)[C@@H]1CCC[NH2+]CC1 ZINC000231303581 370476600 /nfs/dbraw/zinc/47/66/00/370476600.db2.gz NUWJMBLBKOUPAM-CQSZACIVSA-N 1 0 283.375 2.449 40 0 CEABRO CNC(=O)[C@@H]1CCC[C@]12CC[N@H+](Cc1ccsc1)C2 ZINC000247957414 371150871 /nfs/dbraw/zinc/15/08/71/371150871.db2.gz PCOOAHQOSIDBAW-DZGCQCFKSA-N 1 0 278.421 2.486 40 0 CEABRO Cc1nn(C)c(C)c1CN1CCCC[C@H]1c1cc[nH]n1 ZINC000257339584 371612636 /nfs/dbraw/zinc/61/26/36/371612636.db2.gz ZCKBNUHMUJSYND-HNNXBMFYSA-N 1 0 273.384 2.487 40 0 CEABRO CNc1nccnc1C[C@H]1CCCN(c2ccnc(C)n2)C1 ZINC000257339541 371613000 /nfs/dbraw/zinc/61/30/00/371613000.db2.gz ZCEJDJPUTIISBY-CYBMUJFWSA-N 1 0 298.394 2.076 40 0 CEABRO CCn1nccc1C[NH2+]Cc1cn(C(C)C)nc1C ZINC000256050715 190003008 /nfs/dbraw/zinc/00/30/08/190003008.db2.gz GFLOIVPQTRNMBZ-UHFFFAOYSA-N 1 0 261.373 2.279 40 0 CEABRO CCCn1cc(C[NH2+]Cc2cnn(CCC)c2)cn1 ZINC000256051481 190003992 /nfs/dbraw/zinc/00/39/92/190003992.db2.gz JIANOCDISQTYCL-UHFFFAOYSA-N 1 0 261.373 2.189 40 0 CEABRO Cc1c[nH]c([C@@H]2CCC[N@H+](Cc3cccnc3)C2)n1 ZINC000257211446 190012166 /nfs/dbraw/zinc/01/21/66/190012166.db2.gz BYWRYLPVNJFTLE-CQSZACIVSA-N 1 0 256.353 2.493 40 0 CEABRO C[N@@H+]1CCC[C@H](c2cncc(N3C(=O)OCC3(C)C)n2)C1 ZINC000257212079 190013224 /nfs/dbraw/zinc/01/32/24/190013224.db2.gz CBVIEAUMDWLTSW-NSHDSACASA-N 1 0 290.367 2.021 40 0 CEABRO CC(C)n1cc(-c2cncc(C[C@@H]3CCC[NH2+]C3)n2)cn1 ZINC000257220993 190014487 /nfs/dbraw/zinc/01/44/87/190014487.db2.gz DNCWQNAPVWVUHW-ZDUSSCGKSA-N 1 0 285.395 2.463 40 0 CEABRO CCn1cc(-c2cncc(C[C@H]3CCC[N@H+](C)C3)n2)cn1 ZINC000257236608 190017516 /nfs/dbraw/zinc/01/75/16/190017516.db2.gz HCYVBGSTERHBNU-CYBMUJFWSA-N 1 0 285.395 2.244 40 0 CEABRO CC(C)NC(=O)c1ccccc1-n1cc(C[NH+](C)C)cn1 ZINC000257248643 190019731 /nfs/dbraw/zinc/01/97/31/190019731.db2.gz JEOVYELLBJIDQT-UHFFFAOYSA-N 1 0 286.379 2.072 40 0 CEABRO Cc1nc[nH]c1C[NH+]1CCC(c2cncc(C)n2)CC1 ZINC000257257648 190021728 /nfs/dbraw/zinc/02/17/28/190021728.db2.gz KQNPSKKWXJDACF-UHFFFAOYSA-N 1 0 271.368 2.196 40 0 CEABRO Fc1ccccc1Cc1cccc([C@H]2C[NH2+]CCO2)n1 ZINC000257284491 190026021 /nfs/dbraw/zinc/02/60/21/190026021.db2.gz PCXBORZNXLTIEP-MRXNPFEDSA-N 1 0 272.323 2.472 40 0 CEABRO CCn1cc(C[N@@H+]2CCC[C@@H](c3ccncn3)C2)c(C)n1 ZINC000257290726 190027437 /nfs/dbraw/zinc/02/74/37/190027437.db2.gz QEBPXZUSMXUDMJ-CQSZACIVSA-N 1 0 285.395 2.381 40 0 CEABRO c1ccc(C[N@H+]2CCOC[C@H](Cc3cnccn3)C2)cc1 ZINC000257272578 190024473 /nfs/dbraw/zinc/02/44/73/190024473.db2.gz NCXYPTXISOBWIT-MRXNPFEDSA-N 1 0 283.375 2.168 40 0 CEABRO CC(C)[NH+]1CCC(c2cnc(N3CCOC3=O)cn2)CC1 ZINC000257292718 190028059 /nfs/dbraw/zinc/02/80/59/190028059.db2.gz QMQYQOVWSFIMKI-UHFFFAOYSA-N 1 0 290.367 2.021 40 0 CEABRO c1cc(NC2CCOCC2)nc([C@@H]2CCC[NH2+]C2)c1 ZINC000257334679 190036649 /nfs/dbraw/zinc/03/66/49/190036649.db2.gz YGYUPZFTPRIYRZ-GFCCVEGCSA-N 1 0 261.369 2.140 40 0 CEABRO Cc1cn(C)c([C@@H]2CC[N@H+](Cc3cncs3)C2)n1 ZINC000257338794 190037318 /nfs/dbraw/zinc/03/73/18/190037318.db2.gz YZABAKPTYJKFSD-LLVKDONJSA-N 1 0 262.382 2.175 40 0 CEABRO C[C@@H]1CC[C@@H](CNC(=O)OCc2ccccc2)[NH2+]C1 ZINC000261508826 190040756 /nfs/dbraw/zinc/04/07/56/190040756.db2.gz XLEVDWOUHGBDKF-OCCSQVGLSA-N 1 0 262.353 2.301 40 0 CEABRO Cc1cc([C@@H](O)c2ccccc2)cnc1N1CC[NH+](C)CC1 ZINC000072222564 256706005 /nfs/dbraw/zinc/70/60/05/256706005.db2.gz ZJDBEIIRTPHKJF-KRWDZBQOSA-N 1 0 297.402 2.224 40 0 CEABRO COC[C@@]12CCO[C@@H]1CC[N@H+](Cc1ccccc1)C2 ZINC000096110319 285326191 /nfs/dbraw/zinc/32/61/91/285326191.db2.gz SGMVSQUWDMOKFX-CVEARBPZSA-N 1 0 261.365 2.314 40 0 CEABRO Fc1ccc(-c2ccc3nnc([C@@H]4CCC[NH2+]C4)n3n2)cc1 ZINC000217560934 130762158 /nfs/dbraw/zinc/76/21/58/130762158.db2.gz JUHGKZLJFXGHEO-GFCCVEGCSA-N 1 0 297.337 2.397 40 0 CEABRO CN1c2ccc(SCCC[NH3+])cc2CCC1=O ZINC000218804240 130771218 /nfs/dbraw/zinc/77/12/18/130771218.db2.gz ZPGXRVPNNRBXQJ-UHFFFAOYSA-N 1 0 250.367 2.037 40 0 CEABRO CCOC(=O)[C@H]1CCCCN1c1ccccc1C[NH3+] ZINC000026896367 394479391 /nfs/dbraw/zinc/47/93/91/394479391.db2.gz ZRSOSINNYDFJBU-CQSZACIVSA-N 1 0 262.353 2.067 40 0 CEABRO Cc1nc(I)ccc1[C@H](C)[NH3+] ZINC000072219684 394594450 /nfs/dbraw/zinc/59/44/50/394594450.db2.gz SREWUOVURSEREJ-YFKPBYRVSA-N 1 0 262.094 2.014 40 0 CEABRO COc1ccc([C@@H]2C[N@@H+](C3CCOCC3)CCN2C)cc1 ZINC000257282442 394595567 /nfs/dbraw/zinc/59/55/67/394595567.db2.gz OTUGADXVVWEWDK-KRWDZBQOSA-N 1 0 290.407 2.163 40 0 CEABRO CC[C@@H]([C@@H]([NH3+])c1ccc(F)cc1)S(=O)(=O)CC ZINC000096524957 394697204 /nfs/dbraw/zinc/69/72/04/394697204.db2.gz UQTGUEUCXORLKQ-RYUDHWBXSA-N 1 0 259.346 2.039 40 0 CEABRO CC[C@H]([C@@H]([NH3+])c1cccc(Cl)c1)S(C)(=O)=O ZINC000096524866 394697294 /nfs/dbraw/zinc/69/72/94/394697294.db2.gz JCTBSICHYIMVTC-MNOVXSKESA-N 1 0 261.774 2.163 40 0 CEABRO CCSc1nnc(CC[NH2+]C2CCCCC2)n1C ZINC000005001735 170052956 /nfs/dbraw/zinc/05/29/56/170052956.db2.gz GTUOGRZSEZFYTB-UHFFFAOYSA-N 1 0 268.430 2.392 40 0 CEABRO C[NH+](C)CCNC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000005674769 170126877 /nfs/dbraw/zinc/12/68/77/170126877.db2.gz KNCZTFCJMCBBCW-UHFFFAOYSA-N 1 0 275.274 2.389 40 0 CEABRO c1ccc(CC2=[NH+][C@H]3C=Cc4nsnc4[C@@H]3N2)cc1 ZINC000006227625 170184178 /nfs/dbraw/zinc/18/41/78/170184178.db2.gz KVIWBINWIUKDPJ-GXFFZTMASA-N 1 0 268.345 2.219 40 0 CEABRO C[C@H](O)c1cc(C[NH+](C)C)nc(-c2ccccc2)n1 ZINC000006437356 170201298 /nfs/dbraw/zinc/20/12/98/170201298.db2.gz NPFTYFLJQAXCJY-NSHDSACASA-N 1 0 257.337 2.259 40 0 CEABRO COc1cccc(NC(=S)NCCC[NH+]2CCCC2)c1 ZINC000007026924 170262830 /nfs/dbraw/zinc/26/28/30/170262830.db2.gz MVMLFEROJYNSDS-UHFFFAOYSA-N 1 0 293.436 2.468 40 0 CEABRO c1ccc([C@H](c2ccncc2)N2CC[NH2+]CC2)cc1 ZINC000019932901 170931245 /nfs/dbraw/zinc/93/12/45/170931245.db2.gz AJWYEGULHTYSBW-MRXNPFEDSA-N 1 0 253.349 2.076 40 0 CEABRO CC(C)[NH2+]C[C@@H](O)COc1cccc2c(O)cccc12 ZINC000022061124 171351469 /nfs/dbraw/zinc/35/14/69/171351469.db2.gz WMYPGILKDMWISO-GFCCVEGCSA-N 1 0 275.348 2.283 40 0 in-vitro CEABRO [NH3+]Cc1cn(Cc2cccc(Br)c2)cn1 ZINC000071598289 176222273 /nfs/dbraw/zinc/22/22/73/176222273.db2.gz LNSKFIXPJDLYKM-UHFFFAOYSA-N 1 0 266.142 2.153 40 0 CEABRO Cc1noc(C2(C)CC[NH+](Cc3ccncc3)CC2)n1 ZINC000072363805 176378445 /nfs/dbraw/zinc/37/84/45/176378445.db2.gz ZPFQHZNXILYDQD-UHFFFAOYSA-N 1 0 272.352 2.327 40 0 CEABRO Cc1cc(C)nc(Nc2cncc([C@@H]3CCC[NH2+]3)n2)n1 ZINC000072376506 176384906 /nfs/dbraw/zinc/38/49/06/176384906.db2.gz YKKZBGGRSQBPER-NSHDSACASA-N 1 0 270.340 2.052 40 0 CEABRO COc1cccc(CN2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c1OC ZINC000072397520 176394867 /nfs/dbraw/zinc/39/48/67/176394867.db2.gz JKVMYIBCSWDHCB-DZGCQCFKSA-N 1 0 290.407 2.372 40 0 CEABRO [NH3+]CCc1ccc(OC(F)F)cc1OC(F)F ZINC000078406419 177338890 /nfs/dbraw/zinc/33/88/90/177338890.db2.gz CBYOYOJLSKTJTL-UHFFFAOYSA-N 1 0 253.195 2.391 40 0 CEABRO CN(C[C@H]1CCCC[NH2+]1)C(=O)OCc1ccccc1 ZINC000079437746 177491120 /nfs/dbraw/zinc/49/11/20/177491120.db2.gz NOOLEWYBKHTALP-CQSZACIVSA-N 1 0 262.353 2.397 40 0 CEABRO O=C1CCCN1[C@H]1C[C@@H]2c3ccccc3[C@H]1c1cccc[n+]12 ZINC000005120968 260017080 /nfs/dbraw/zinc/01/70/80/260017080.db2.gz USLGSFPANRUCON-AOIWGVFYSA-N 1 0 291.374 2.404 40 0 CEABRO CC(=O)N[C@H](NC(=[NH2+])C(C)C)C(Cl)(Cl)Cl ZINC000003109671 277055003 /nfs/dbraw/zinc/05/50/03/277055003.db2.gz NUGSPFZXZPDTND-SSDOTTSWSA-N 1 0 274.579 2.042 40 0 CEABRO CNc1nc(N2CCc3cc(Cl)ccc3C2)cc(C)[nH+]1 ZINC000329049063 277220920 /nfs/dbraw/zinc/22/09/20/277220920.db2.gz UNJUGQBDQZMAQS-UHFFFAOYSA-N 1 0 288.782 2.465 40 0 CEABRO COC(=O)[C@@H]1C[C@H]2Cc3c4ccccc4[nH]c3C[N@@H+]2C1 ZINC000095828947 277371093 /nfs/dbraw/zinc/37/10/93/277371093.db2.gz OVDBJAVMIFIMFA-MNOVXSKESA-N 1 0 270.332 2.088 40 0 CEABRO CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)CCC[C@H]2C[NH3+] ZINC000091304169 278419605 /nfs/dbraw/zinc/41/96/05/278419605.db2.gz ATFHYPICLWVHFR-QJPTWQEYSA-N 1 0 254.374 2.228 40 0 CEABRO Cc1nnc2n1[C@H]1C[N@@H+](C[C@H]3CC=CCC3)C[C@H]1CC2 ZINC000019288357 279242043 /nfs/dbraw/zinc/24/20/43/279242043.db2.gz PZTLEYNTALQUML-ZNMIVQPWSA-N 1 0 272.396 2.362 40 0 CEABRO Cc1c(Cl)ccc2c(=O)c3c(n(C)c12)CC[NH2+]C3 ZINC000072221279 280230094 /nfs/dbraw/zinc/23/00/94/280230094.db2.gz WSPZBISFVJJRSB-UHFFFAOYSA-N 1 0 262.740 2.146 40 0 CEABRO Cc1ccc2c(c1)CCC21CCN(C(=O)C[NH+](C)C)CC1 ZINC000096079390 281050888 /nfs/dbraw/zinc/05/08/88/281050888.db2.gz GWIACVLQBJNJLP-UHFFFAOYSA-N 1 0 286.419 2.363 40 0 CEABRO Cc1ncoc1C(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)[NH2+]2 ZINC000257317562 302720935 /nfs/dbraw/zinc/72/09/35/302720935.db2.gz VKGOVSXMNBIEKT-JFILPPLUSA-N 1 0 289.379 2.118 40 0 CEABRO Cc1noc(C)c1C(=O)N1C[C@H]2C[NH2+]C[C@H]2c2ccccc21 ZINC000096088607 302836777 /nfs/dbraw/zinc/83/67/77/302836777.db2.gz PAHJJWYPOYMVIM-TZMCWYRMSA-N 1 0 297.358 2.255 40 0 CEABRO COc1ccc(CCN2CC[NH2+][C@@H]3CCC[C@@H]32)cc1OC ZINC000225715496 333182131 /nfs/dbraw/zinc/18/21/31/333182131.db2.gz QVUJQUSFWWPCAB-CABCVRRESA-N 1 0 290.407 2.073 40 0 CEABRO CC[NH+](CC)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(C)O ZINC000685936446 567104147 /nfs/dbraw/zinc/10/41/47/567104147.db2.gz XZGHWFKFMPKSND-DOMZBBRYSA-N 1 0 286.416 2.089 40 0 CEABRO Cc1noc(C)c1Cn1cc(C2CC[NH2+]CC2)cn1 ZINC000585142996 570252522 /nfs/dbraw/zinc/25/25/22/570252522.db2.gz MHLCRGPPOJEMJL-UHFFFAOYSA-N 1 0 260.341 2.003 40 0 CEABRO C[NH+](C)CCNC(=O)CSCc1ccccc1Cl ZINC000010111502 230370762 /nfs/dbraw/zinc/37/07/62/230370762.db2.gz LLJYAGUVOGOBRJ-UHFFFAOYSA-N 1 0 286.828 2.251 40 0 CEABRO O=C(c1cccnc1)N1CCC[C@]2(CC[N@H+](CC3CC3)C2)C1 ZINC000096047061 185073643 /nfs/dbraw/zinc/07/36/43/185073643.db2.gz NXJFTFCNSBHZHN-GOSISDBHSA-N 1 0 299.418 2.420 40 0 CEABRO C[N@@H+]1CCCCC12CCN(C(=O)c1ccncc1)CC2 ZINC000096051205 185074525 /nfs/dbraw/zinc/07/45/25/185074525.db2.gz BJMZLQTYYPFQCZ-UHFFFAOYSA-N 1 0 273.380 2.172 40 0 CEABRO CC[C@@H]1[N@H+](Cc2ccncc2)CCC[C@]12CCC(=O)N2C ZINC000096052422 185075057 /nfs/dbraw/zinc/07/50/57/185075057.db2.gz OEJAVFFXJVVWCO-RDJZCZTQSA-N 1 0 287.407 2.447 40 0 CEABRO O=C(c1ccco1)N1C[C@H]2CCC[N@H+](CC3CC3)[C@H]2C1 ZINC000096054199 185076098 /nfs/dbraw/zinc/07/60/98/185076098.db2.gz YJPZIYFLUBHQIX-KGLIPLIRSA-N 1 0 274.364 2.226 40 0 CEABRO c1cncc(CN2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)c1 ZINC000096055839 185076112 /nfs/dbraw/zinc/07/61/12/185076112.db2.gz ZOXMDKOUXSTWNU-HDICACEKSA-N 1 0 294.402 2.325 40 0 CEABRO COC[C@H]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2ccc(OC)cc2)O1 ZINC000096056380 185077257 /nfs/dbraw/zinc/07/72/57/185077257.db2.gz UOZXZUPJFRUUCN-BRWVUGGUSA-N 1 0 291.391 2.464 40 0 CEABRO c1cc(CO[C@@H]2CC[C@H]3[C@H]2OCC[N@@H+]3CC2CC2)ccn1 ZINC000096058006 185079209 /nfs/dbraw/zinc/07/92/09/185079209.db2.gz LFOWWASNEKEAAP-GVDBMIGSSA-N 1 0 288.391 2.240 40 0 CEABRO c1c2c(nn1CC1CC1)[C@H](C[NH2+]Cc1cccnc1)OCC2 ZINC000096059753 185080225 /nfs/dbraw/zinc/08/02/25/185080225.db2.gz ZLZPUTRUEVUSKV-INIZCTEOSA-N 1 0 298.390 2.092 40 0 CEABRO c1c2c(nn1CC1CC1)[C@@H](C[NH2+]Cc1ccncc1)OCC2 ZINC000096059754 185081442 /nfs/dbraw/zinc/08/14/42/185081442.db2.gz OBLOIHVNLLTNHM-MRXNPFEDSA-N 1 0 298.390 2.092 40 0 CEABRO c1ccc(N2CC[C@]3(C2)COCC[N@@H+](CC2CC2)C3)nc1 ZINC000096062488 185082444 /nfs/dbraw/zinc/08/24/44/185082444.db2.gz QKXNXKFYCODMCP-KRWDZBQOSA-N 1 0 287.407 2.020 40 0 CEABRO COCC[N@@H+]1CC[C@H](OCC2CC2)[C@@H]1Cc1ccncc1 ZINC000096070004 185085261 /nfs/dbraw/zinc/08/52/61/185085261.db2.gz SPEJJSLEXYQSMK-IRXDYDNUSA-N 1 0 290.407 2.140 40 0 CEABRO Cc1nc(COCc2cnc3n2CC[N@@H+](C)[C@H]3C)cs1 ZINC000096109867 185099602 /nfs/dbraw/zinc/09/96/02/185099602.db2.gz ODWVECWOCMMKOC-JTQLQIEISA-N 1 0 292.408 2.371 40 0 CEABRO CCOC[C@]12COC[C@H]1C[N@H+](Cc1ccc(F)c(F)c1)C2 ZINC000096108672 185100368 /nfs/dbraw/zinc/10/03/68/185100368.db2.gz MXTGTQRIINLVPX-CZUORRHYSA-N 1 0 297.345 2.450 40 0 CEABRO CO[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1c(C)noc1C)C2 ZINC000096110853 185101097 /nfs/dbraw/zinc/10/10/97/185101097.db2.gz KETKEZNFVJJWFM-ZFWWWQNUSA-N 1 0 280.368 2.061 40 0 CEABRO CCOC(=O)c1cccc(NC(=O)C2CC[NH+](C)CC2)c1 ZINC000096624967 185107646 /nfs/dbraw/zinc/10/76/46/185107646.db2.gz HMFIYXKYZLWIOX-UHFFFAOYSA-N 1 0 290.363 2.144 40 0 CEABRO [NH3+]Cc1ccc([C@H]2CCNC(=O)C2)c(C(F)(F)F)c1 ZINC000199775251 539185323 /nfs/dbraw/zinc/18/53/23/539185323.db2.gz FELHLKMGILPVEL-VIFPVBQESA-N 1 0 272.270 2.158 40 0 CEABRO CCC(CC)NC(=O)c1cnc([C@H]2CCC[NH2+]C2)nc1C ZINC000019766767 343374555 /nfs/dbraw/zinc/37/45/55/343374555.db2.gz KHHBJDOLTAAGEO-LBPRGKRZSA-N 1 0 290.411 2.170 40 0 CEABRO CCCCc1n[n+](-c2ccccc2)[n+](-c2ccccc2)[n-]1 ZINC000035214285 343421430 /nfs/dbraw/zinc/42/14/30/343421430.db2.gz FCBTYKARATYDMO-UHFFFAOYSA-N 1 0 280.375 2.306 40 0 CEABRO C[C@H]1CC[C@H](C[NH3+])CN1C(=O)OCc1ccccc1 ZINC000097759063 344245947 /nfs/dbraw/zinc/24/59/47/344245947.db2.gz LJXHWYWQZCPOBL-GXTWGEPZSA-N 1 0 262.353 2.382 40 0 CEABRO O=C1O[C@@]2(CN1c1cccc(F)c1)CCC[NH2+]CC2 ZINC000218187534 344536263 /nfs/dbraw/zinc/53/62/63/344536263.db2.gz KTRDBJDJZMXWQK-AWEZNQCLSA-N 1 0 264.300 2.295 40 0 CEABRO [NH3+][C@@H]1CCN(Cc2ccc(F)c(Br)c2)C1 ZINC000050227624 362411776 /nfs/dbraw/zinc/41/17/76/362411776.db2.gz HKVRNWUNDNJVGT-SECBINFHSA-N 1 0 273.149 2.121 40 0 CEABRO c1ccn([C@@H](c2noc(C3C[NH2+]C3)n2)c2ccccc2)c1 ZINC000409442105 344889820 /nfs/dbraw/zinc/88/98/20/344889820.db2.gz SWIWVEZTBWHRAU-CQSZACIVSA-N 1 0 280.331 2.196 40 0 CEABRO c1cc2c(Nc3ccccn3)nc(C3CC[NH2+]CC3)cn2c1 ZINC000585263429 345009211 /nfs/dbraw/zinc/00/92/11/345009211.db2.gz JMWYSCNIALBODJ-UHFFFAOYSA-N 1 0 293.374 2.362 40 0 CEABRO COCC[NH2+][C@H]1CCC[C@@H](Oc2ccc(Cl)cc2)[C@@H]1O ZINC000585288779 345010374 /nfs/dbraw/zinc/01/03/74/345010374.db2.gz IWHDBJOUTQXAQT-RRFJBIMHSA-N 1 0 299.798 2.237 40 0 CEABRO Cc1ccc(S(=O)(=O)[C@H]2[C@H](c3ccccc3)[C@@H]2[NH3+])cc1 ZINC000242538916 539722834 /nfs/dbraw/zinc/72/28/34/539722834.db2.gz JHMTZCUCRRKLTK-PMPSAXMXSA-N 1 0 287.384 2.262 40 0 CEABRO Cc1nc(-c2ccc(F)cc2)cc(N2CC[NH2+]CC2)n1 ZINC000070458543 363086126 /nfs/dbraw/zinc/08/61/26/363086126.db2.gz NIPPGTWNHAAMCV-UHFFFAOYSA-N 1 0 272.327 2.001 40 0 CEABRO Cc1cc(C)nc([C@@H]2CC[N@@H+](C3CCOCC3)C2)n1 ZINC000072385946 363133062 /nfs/dbraw/zinc/13/30/62/363133062.db2.gz XNJSSLPUZHOOMS-CYBMUJFWSA-N 1 0 261.369 2.062 40 0 CEABRO CCOc1ccccc1NC(=O)C1CC[NH+](C)CC1 ZINC000074713364 363375526 /nfs/dbraw/zinc/37/55/26/363375526.db2.gz UHFNNKVJFFMVGJ-UHFFFAOYSA-N 1 0 262.353 2.366 40 0 CEABRO CC(C)[N@@H+](Cc1ccccc1)C[C@H]1CCN(CCO)C1 ZINC000079414278 363596865 /nfs/dbraw/zinc/59/68/65/363596865.db2.gz YXJXMEXEEPTZLI-KRWDZBQOSA-N 1 0 276.424 2.211 40 0 CEABRO C[C@H]([NH3+])C(=O)N([C@@H](C)c1ccc(F)cc1)C1CC1 ZINC000079421298 363598530 /nfs/dbraw/zinc/59/85/30/363598530.db2.gz IEEXXKMPAGWLBT-UWVGGRQHSA-N 1 0 250.317 2.225 40 0 CEABRO CC[N@@H+](Cc1ccccc1)C[C@@H]1CCC[NH+](CC(=O)[O-])C1 ZINC000079416098 363599162 /nfs/dbraw/zinc/59/91/62/363599162.db2.gz WOFLSSMFJFPPCE-INIZCTEOSA-N 1 0 290.407 2.305 40 0 CEABRO Cc1cc2c(cccc2OC[C@@H](O)C[NH2+]C(C)C)[nH]1 ZINC000001999267 361225301 /nfs/dbraw/zinc/22/53/01/361225301.db2.gz NXWGWUVGUSFQJC-LBPRGKRZSA-N 1 0 262.353 2.214 40 0 in-man CEABRO CC[C@@H](C)c1ccccc1OC[C@H](O)C[NH2+]C(C)(C)CO ZINC000002694551 361244335 /nfs/dbraw/zinc/24/43/35/361244335.db2.gz AGPAYWCUBYITJP-ZIAGYGMSSA-N 1 0 295.423 2.300 40 0 CEABRO Cn1c(N)[nH+]cc1-c1ccccc1Br ZINC000082169092 363752908 /nfs/dbraw/zinc/75/29/08/363752908.db2.gz JUTNJSJGJFIRCG-UHFFFAOYSA-N 1 0 252.115 2.432 40 0 CEABRO S=c1[nH]cnc2c1C[N@H+](Cc1ccccc1)CC2 ZINC000006575026 361336894 /nfs/dbraw/zinc/33/68/94/361336894.db2.gz XEDNNPJNCXRMLD-UHFFFAOYSA-N 1 0 257.362 2.324 40 0 CEABRO COC(=O)[C@@H](c1ccc(F)cc1)[C@@H]1CCCC[NH2+]1 ZINC000013747221 361441094 /nfs/dbraw/zinc/44/10/94/361441094.db2.gz XISBAJBPDVRSPG-STQMWFEESA-N 1 0 251.301 2.224 40 0 CEABRO Cc1cc(=O)[nH]c([C@@H]2CC[N@H+](Cc3ccccc3F)C2)n1 ZINC000019118478 361520104 /nfs/dbraw/zinc/52/01/04/361520104.db2.gz XPDDWESROHOWLD-CYBMUJFWSA-N 1 0 287.338 2.207 40 0 CEABRO [NH3+]C[C@@H](c1ccc(Cl)c(Cl)c1)N1CCOCC1 ZINC000019257203 361522740 /nfs/dbraw/zinc/52/27/40/361522740.db2.gz FPZBEIKKHBJYEH-LBPRGKRZSA-N 1 0 275.179 2.325 40 0 CEABRO CC[NH+](CC)CCNCc1ccc(OC)c(OC)c1OC ZINC000019919150 361567779 /nfs/dbraw/zinc/56/77/79/361567779.db2.gz YLGLWFDGTDAHLI-UHFFFAOYSA-N 1 0 296.411 2.144 40 0 CEABRO O=C1N(Cc2cccc(Cl)c2)CC[C@]12CCC[NH2+]C2 ZINC000023509153 361601170 /nfs/dbraw/zinc/60/11/70/361601170.db2.gz MIKIXEXAOXDQTO-HNNXBMFYSA-N 1 0 278.783 2.442 40 0 CEABRO FC(F)(F)c1ccnc(OC[C@@H]2CCC[NH2+]C2)c1 ZINC000090397347 364056147 /nfs/dbraw/zinc/05/61/47/364056147.db2.gz ZIGVLVASXOYEMX-SECBINFHSA-N 1 0 260.259 2.479 40 0 CEABRO C[NH+](C)Cc1cncc2c1CCN(Cc1ccoc1)C2 ZINC000096189445 364407665 /nfs/dbraw/zinc/40/76/65/364407665.db2.gz UMCHRHJKKOEWOJ-UHFFFAOYSA-N 1 0 271.364 2.295 40 0 CEABRO O[C@H]1CC[N@H+](Cc2cccc(F)c2)[C@H]1Cc1cccnc1 ZINC000096200465 364411161 /nfs/dbraw/zinc/41/11/61/364411161.db2.gz QJGNHSCRXUDRHG-IRXDYDNUSA-N 1 0 286.350 2.399 40 0 CEABRO Cc1cc(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)c(C)o1 ZINC000096215246 364412728 /nfs/dbraw/zinc/41/27/28/364412728.db2.gz CWOYANSJXZHWHZ-INIZCTEOSA-N 1 0 276.380 2.454 40 0 CEABRO CCC1=N[C@@]2(CC[C@@H]3C[N@H+](CC(C)C)C[C@@H]32)C(=O)N1CC ZINC000096261619 364417986 /nfs/dbraw/zinc/41/79/86/364417986.db2.gz NINHQLXMZRZIFR-JKIFEVAISA-N 1 0 291.439 2.394 40 0 CEABRO CNC(=O)N[C@H]1c2cccc(F)c2[C@H]2C[N@H+](C(C)C)C[C@@H]12 ZINC000096261714 364418389 /nfs/dbraw/zinc/41/83/89/364418389.db2.gz QVRUSRPEZSWQGA-ZOWXZIJZSA-N 1 0 291.370 2.233 40 0 CEABRO OC[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(F)(F)F ZINC000102225120 364587469 /nfs/dbraw/zinc/58/74/69/364587469.db2.gz JVJIYCXIYVNRHB-NEPJUHHUSA-N 1 0 259.271 2.289 40 0 CEABRO C[N@@H+]1CC[C@]12CCCN(C(=O)CCc1ccccc1)C2 ZINC000585101744 367177116 /nfs/dbraw/zinc/17/71/16/367177116.db2.gz DHIGYMMVLQXNMP-KRWDZBQOSA-N 1 0 272.392 2.316 40 0 CEABRO CC(C)C[N@@H+]1CCC[C@]2(CN(Cc3cncs3)C2=O)C1 ZINC000585099632 367177651 /nfs/dbraw/zinc/17/76/51/367177651.db2.gz TXXHTLMLUZJPQC-OAHLLOKOSA-N 1 0 293.436 2.224 40 0 CEABRO CC(C)N1C[C@]2(CCC[N@H+](CC3CC(F)(F)C3)C2)C1=O ZINC000585099334 367177912 /nfs/dbraw/zinc/17/79/12/367177912.db2.gz FYTLARQUYQUGKZ-CQSZACIVSA-N 1 0 286.366 2.365 40 0 CEABRO Cn1cc(Cc2ccc(Br)cc2)[nH+]c1N ZINC000199550910 370149215 /nfs/dbraw/zinc/14/92/15/370149215.db2.gz MDFDWIVBZLNKKU-UHFFFAOYSA-N 1 0 266.142 2.356 40 0 CEABRO COc1ccc(-c2ccc3nnc([C@@H]([NH3+])C(C)C)n3n2)cc1 ZINC000217565375 370199038 /nfs/dbraw/zinc/19/90/38/370199038.db2.gz WAJWOSLIOBLJNV-HNNXBMFYSA-N 1 0 297.362 2.456 40 0 CEABRO O[C@H]1[C@H]([NH+]2CCCCC2)CCC[C@]12CC=CCOC2 ZINC000226077575 370329473 /nfs/dbraw/zinc/32/94/73/370329473.db2.gz IHRUHNJOJUNSFY-PMPSAXMXSA-N 1 0 265.397 2.349 40 0 CEABRO C[NH+](C)CC[C@H]1CCOC12CN(Cc1ccccc1F)C2 ZINC000248140247 371163397 /nfs/dbraw/zinc/16/33/97/371163397.db2.gz SYQPCZMLIRSWDA-HNNXBMFYSA-N 1 0 292.398 2.368 40 0 CEABRO C[N@H+](CC1CCOCC1)[C@H]1CCCN(c2ccccn2)C1 ZINC000257319553 371613858 /nfs/dbraw/zinc/61/38/58/371613858.db2.gz VSZPZYAXLFDEQB-INIZCTEOSA-N 1 0 289.423 2.409 40 0 CEABRO CC(C)Cn1cc(C[NH2+]Cc2cnn(CC(F)F)c2)cn1 ZINC000256053587 190005129 /nfs/dbraw/zinc/00/51/29/190005129.db2.gz SATOCVVEAGJRKC-UHFFFAOYSA-N 1 0 297.353 2.291 40 0 CEABRO CCCn1cc(CNCC[NH+](CC)CC)c(C)n1 ZINC000256054781 190005382 /nfs/dbraw/zinc/00/53/82/190005382.db2.gz XSXNDKDOKBDHLO-UHFFFAOYSA-N 1 0 252.406 2.033 40 0 CEABRO CCCn1cc(C[NH2+]Cc2c(C)cnn2CC)c(C)n1 ZINC000256051976 190003626 /nfs/dbraw/zinc/00/36/26/190003626.db2.gz LIVNEXDKHHGCDT-UHFFFAOYSA-N 1 0 275.400 2.416 40 0 CEABRO COCCC[NH2+]Cc1cc(C2CC2)nn1C(C)C ZINC000256050930 190003633 /nfs/dbraw/zinc/00/36/33/190003633.db2.gz HAUXDXLMJQQBQJ-UHFFFAOYSA-N 1 0 251.374 2.468 40 0 CEABRO FCCn1cc(C[NH2+]Cc2cccc(F)c2)cn1 ZINC000256051570 190003714 /nfs/dbraw/zinc/00/37/14/190003714.db2.gz JRTKSWMQLWMOTK-UHFFFAOYSA-N 1 0 251.280 2.282 40 0 CEABRO Cn1cc(C[NH+]2CCC(Cc3ccncc3)CC2)cn1 ZINC000257205847 190011523 /nfs/dbraw/zinc/01/15/23/190011523.db2.gz BAVJCVAILMMSDT-UHFFFAOYSA-N 1 0 270.380 2.270 40 0 CEABRO 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/nfs/dbraw/zinc/07/49/75/185074975.db2.gz MKXDQDVUKNQPCA-HOCLYGCPSA-N 1 0 273.380 2.105 40 0 CEABRO c1coc(C[N@@H+]2C[C@H]3CN(Cc4ccccn4)C[C@H]3C2)c1 ZINC000096053776 185075021 /nfs/dbraw/zinc/07/50/21/185075021.db2.gz JEGHGWHLFFTGSN-GASCZTMLSA-N 1 0 283.375 2.238 40 0 CEABRO CN(C)[C@@H]1C[N@H+](Cc2cccs2)[C@@H]2CCCO[C@H]12 ZINC000096056315 185077121 /nfs/dbraw/zinc/07/71/21/185077121.db2.gz BNCPLSDIGAZGGC-MCIONIFRSA-N 1 0 266.410 2.042 40 0 CEABRO C(O[C@@H]1COC2(C1)CC[NH+](CC1CC1)CC2)C1CC1 ZINC000096073092 185087606 /nfs/dbraw/zinc/08/76/06/185087606.db2.gz NTYQTTOXIKQNMG-HNNXBMFYSA-N 1 0 265.397 2.447 40 0 CEABRO CC[N@@H+]1CCOCC12CCN(C(=O)c1ccsc1)CC2 ZINC000096074601 185088463 /nfs/dbraw/zinc/08/84/63/185088463.db2.gz NWDZYMOHPWTPSD-UHFFFAOYSA-N 1 0 294.420 2.075 40 0 CEABRO Cc1nc(C)c2c(n1)CC[N@@H+](Cc1ccncc1)CC2 ZINC000096083771 185092788 /nfs/dbraw/zinc/09/27/88/185092788.db2.gz SQXMAJCRPVOZBL-UHFFFAOYSA-N 1 0 268.364 2.089 40 0 CEABRO COCC[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1ccncc1)C2 ZINC000096089851 185095231 /nfs/dbraw/zinc/09/52/31/185095231.db2.gz HVAHXPKUFJYZSK-DLBZAZTESA-N 1 0 290.407 2.489 40 0 CEABRO COC[C@]12COC[C@H]1C[N@H+](Cc1sccc1C)C2 ZINC000096108640 185099475 /nfs/dbraw/zinc/09/94/75/185099475.db2.gz GFVVPHCFJZRMRE-TZMCWYRMSA-N 1 0 267.394 2.151 40 0 CEABRO O[C@H](COCCOc1ccc(F)cc1)C[NH+]1CCCCC1 ZINC000041690197 362047986 /nfs/dbraw/zinc/04/79/86/362047986.db2.gz MZOMWXDLLQXTTM-HNNXBMFYSA-N 1 0 297.370 2.068 40 0 CEABRO [NH3+]Cc1cn(-c2ccc(Cl)cc2C(F)(F)F)nn1 ZINC000050224082 362410670 /nfs/dbraw/zinc/41/06/70/362410670.db2.gz UCIQRVYFUNQSOD-UHFFFAOYSA-N 1 0 276.649 2.398 40 0 CEABRO CNc1nc(NCc2ccc(C)cc2)cc(C2CC2)[nH+]1 ZINC000328960513 344758374 /nfs/dbraw/zinc/75/83/74/344758374.db2.gz AYRRQABGHHFBOQ-UHFFFAOYSA-N 1 0 268.364 2.160 40 0 CEABRO O[C@]1(COc2cccc(Cl)c2)CCC[NH2+]CC1 ZINC000399490757 344857718 /nfs/dbraw/zinc/85/77/18/344857718.db2.gz DKPHLWYPQVNCBV-CYBMUJFWSA-N 1 0 255.745 2.223 40 0 CEABRO Cc1nnc2n1[C@H]1C[N@@H+](Cc3ccccc3)C[C@H]1CC2 ZINC000019288364 282365630 /nfs/dbraw/zinc/36/56/30/282365630.db2.gz HVSLYLZPURNMIX-CABCVRRESA-N 1 0 268.364 2.206 40 0 CEABRO CCCCC(=O)N1Cc2ccnn2[C@H](C[NH+](CC)CC)C1 ZINC000575404768 344950022 /nfs/dbraw/zinc/95/00/22/344950022.db2.gz DJMLGQDUHYOOBS-OAHLLOKOSA-N 1 0 292.427 2.298 40 0 CEABRO CC1CC(C(=O)N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)C1 ZINC000585108115 345005537 /nfs/dbraw/zinc/00/55/37/345005537.db2.gz KZFCAIRVLAOTLA-MHVXSEJMSA-N 1 0 299.418 2.303 40 0 CEABRO c1cc2n(n1)[C@@H](CC[NH+]1CCCC1)CN(C1CCC1)C2 ZINC000585113007 345005757 /nfs/dbraw/zinc/00/57/57/345005757.db2.gz ZWMVIUSJMVLIEV-INIZCTEOSA-N 1 0 274.412 2.278 40 0 CEABRO O[C@]1(COc2ccccc2)COCC[N@@H+](C2CCCC2)C1 ZINC000585269043 345009315 /nfs/dbraw/zinc/00/93/15/345009315.db2.gz IRCJPLBHPGGJNP-KRWDZBQOSA-N 1 0 291.391 2.071 40 0 CEABRO CCOC(=O)CC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000059693308 362650788 /nfs/dbraw/zinc/65/07/88/362650788.db2.gz BGFPPKYCZHSGRT-UHFFFAOYSA-N 1 0 276.380 2.070 40 0 CEABRO C[NH+]1CCC2(CCN(C(=O)c3ccccc3)C2)CC1 ZINC000063527759 362768518 /nfs/dbraw/zinc/76/85/18/362768518.db2.gz FISJLGPDHQRIAH-UHFFFAOYSA-N 1 0 258.365 2.245 40 0 CEABRO COC(=O)[C@H](c1ccc(F)cc1)[C@H]1CCCC[NH2+]1 ZINC000064491836 362785995 /nfs/dbraw/zinc/78/59/95/362785995.db2.gz XISBAJBPDVRSPG-CHWSQXEVSA-N 1 0 251.301 2.224 40 0 in-vitro CEABRO CC[NH+](CC)[C@H]1C[C@@H](Cc2cc(CO)on2)C1(C)C ZINC000067889719 362930410 /nfs/dbraw/zinc/93/04/10/362930410.db2.gz IPYGWSIPKXQNHV-RISCZKNCSA-N 1 0 266.385 2.466 40 0 biogenic,in-vitro CEABRO O=C(OCc1ccccc1)N1CCC[C@@]12CC[NH2+]C2 ZINC000091297372 180125481 /nfs/dbraw/zinc/12/54/81/180125481.db2.gz SSUHQBDSVBXYAW-HNNXBMFYSA-N 1 0 260.337 2.151 40 0 CEABRO CNC(=O)[C@@H]1CCC[C@]12CC[N@H+](Cc1cccs1)C2 ZINC000108534960 186222123 /nfs/dbraw/zinc/22/21/23/186222123.db2.gz GHRGYHOTMDJJIQ-DZGCQCFKSA-N 1 0 278.421 2.486 40 0 CEABRO CC(C)Nc1cc(C2CC2)[nH+]c(NC2CCCC2)n1 ZINC000328999368 202146055 /nfs/dbraw/zinc/14/60/55/202146055.db2.gz JWUWREIOWCXQDS-UHFFFAOYSA-N 1 0 260.385 2.373 40 0 CEABRO C[C@@H](Cc1ccccc1)N(C)C(=O)c1ccc[n+](C)c1 ZINC000001582041 361209999 /nfs/dbraw/zinc/20/99/99/361209999.db2.gz USSWMIVOKSSTDM-AWEZNQCLSA-N 1 0 269.368 2.214 40 0 CEABRO CC1(c2ccc[n+](Cc3ccccc3)c2)OCCO1 ZINC000001630443 361212469 /nfs/dbraw/zinc/21/24/69/361212469.db2.gz BYALCIWDTFGBKA-UHFFFAOYSA-N 1 0 256.325 2.242 40 0 CEABRO COc1ccc([C@@H]([NH3+])[C@H](O)c2ccc(OC)cc2)cc1 ZINC000001666002 361214543 /nfs/dbraw/zinc/21/45/43/361214543.db2.gz DUEBHXGFCXXGHK-HZPDHXFCSA-N 1 0 273.332 2.437 40 0 in-vitro CEABRO O[C@H]1CCCC[C@H]1C[NH+]1CCN(c2ccccc2)CC1 ZINC000002022381 361225883 /nfs/dbraw/zinc/22/58/83/361225883.db2.gz TZJZHIIVJQYNPM-RDJZCZTQSA-N 1 0 274.408 2.360 40 0 CEABRO C[NH+](C)CC(=O)N[C@H](Cc1ccsc1)c1nccs1 ZINC000012226861 361375993 /nfs/dbraw/zinc/37/59/93/361375993.db2.gz XBKCKJGPAIVKLR-LLVKDONJSA-N 1 0 295.433 2.166 40 0 CEABRO CCCNC(=S)N1CC[NH+](C2CCCCC2)CC1 ZINC000019074358 361519826 /nfs/dbraw/zinc/51/98/26/361519826.db2.gz NTXRUQASGXJLMT-UHFFFAOYSA-N 1 0 269.458 2.221 40 0 CEABRO COc1cc(OC)cc([C@@H](C[NH3+])N2CCC[C@@H](C)C2)c1 ZINC000019840901 361560778 /nfs/dbraw/zinc/56/07/78/361560778.db2.gz MICPJGHFZAGIHR-MLGOLLRUSA-N 1 0 278.396 2.436 40 0 CEABRO CCc1noc(C)c1C(=O)NCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000019521280 361541888 /nfs/dbraw/zinc/54/18/88/361541888.db2.gz NHUFTFRNDTUMSC-VXGBXAGGSA-N 1 0 293.411 2.253 40 0 CEABRO CCc1ncc(CN2CCC([NH+]3CCCC3)CC2)cn1 ZINC000019523349 361542047 /nfs/dbraw/zinc/54/20/47/361542047.db2.gz XUADZNLLGQMNLS-UHFFFAOYSA-N 1 0 274.412 2.099 40 0 CEABRO CC[NH+](CC)C[C@@H](O)COc1cccc(C)c1C ZINC000026780479 361644660 /nfs/dbraw/zinc/64/46/60/361644660.db2.gz IWPAPMJVXOXWMT-CQSZACIVSA-N 1 0 251.370 2.385 40 0 CEABRO CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCC[NH+](C)C ZINC000030853847 361703976 /nfs/dbraw/zinc/70/39/76/361703976.db2.gz PAHICRKNRRKTSX-CQSZACIVSA-N 1 0 278.396 2.139 40 0 CEABRO COc1ccc(Br)cc1CN1CCC([NH3+])CC1 ZINC000032066565 361725179 /nfs/dbraw/zinc/72/51/79/361725179.db2.gz NUKBPCCODRGXDK-UHFFFAOYSA-N 1 0 299.212 2.381 40 0 CEABRO CC(C)(C)OC(=O)N[C@@H]1CCN(c2ccccc2C[NH3+])C1 ZINC000089223653 363949818 /nfs/dbraw/zinc/94/98/18/363949818.db2.gz BWNGNOCDGYOGEC-CYBMUJFWSA-N 1 0 291.395 2.249 40 0 CEABRO Cc1ccc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)nn1 ZINC000096184859 364407452 /nfs/dbraw/zinc/40/74/52/364407452.db2.gz LLINXBNORFCRTL-CVEARBPZSA-N 1 0 295.390 2.033 40 0 CEABRO C[NH+]1CCN(c2cc(N)cc(C(F)(F)F)c2)CC1 ZINC000095831364 364393600 /nfs/dbraw/zinc/39/36/00/364393600.db2.gz QMQZJKBZHXMSNK-UHFFFAOYSA-N 1 0 259.275 2.039 40 0 CEABRO Fc1cnc(N2CCC[C@]3(CC[N@H+](CC4CC4)C3)C2)nc1 ZINC000096047181 364398214 /nfs/dbraw/zinc/39/82/14/364398214.db2.gz OGMILMMRXDGYPG-MRXNPFEDSA-N 1 0 290.386 2.318 40 0 CEABRO c1ccc(C[N@H+]2C[C@H]3CN(c4ccccn4)C[C@H]3C2)nc1 ZINC000096161574 364404637 /nfs/dbraw/zinc/40/46/37/364404637.db2.gz OTGJKNCQBBCPLL-GASCZTMLSA-N 1 0 280.375 2.045 40 0 CEABRO O[C@@H]1CC[N@H+](Cc2ccsc2)[C@H]1Cc1ccncc1 ZINC000096200277 364409254 /nfs/dbraw/zinc/40/92/54/364409254.db2.gz XIJBPPCNNHFGAZ-LSDHHAIUSA-N 1 0 274.389 2.321 40 0 CEABRO Cc1cccnc1N1CC2(C1)CC[N@H+](Cc1cccnc1)C2 ZINC000096202502 364410737 /nfs/dbraw/zinc/41/07/37/364410737.db2.gz HQUZGYAFRRDBKL-UHFFFAOYSA-N 1 0 294.402 2.497 40 0 CEABRO CO[C@@H]1CC[N@H+](Cc2ccccc2F)[C@H]2CCO[C@@H]21 ZINC000096217218 364413473 /nfs/dbraw/zinc/41/34/73/364413473.db2.gz ANWIREBJMLWLCP-ZNMIVQPWSA-N 1 0 265.328 2.204 40 0 CEABRO CC(C)[N@H+]1C[C@H]2CC[C@@H](C1)N2Cc1nccs1 ZINC000096252555 364417179 /nfs/dbraw/zinc/41/71/79/364417179.db2.gz SGSQIXQODCDKRH-TXEJJXNPSA-N 1 0 251.399 2.200 40 0 CEABRO CN(N)c1[nH+]ccc2ccc(Br)cc21 ZINC000199547046 370148772 /nfs/dbraw/zinc/14/87/72/370148772.db2.gz DGXUEZYGIHMMBX-UHFFFAOYSA-N 1 0 252.115 2.307 40 0 CEABRO CO[C@@H]1Cn2nccc2C[N@H+](Cc2cccc3[nH]ccc32)C1 ZINC000247887417 371145305 /nfs/dbraw/zinc/14/53/05/371145305.db2.gz RYHGMHMVWRJVIR-HNNXBMFYSA-N 1 0 296.374 2.395 40 0 CEABRO COc1cccc(C[NH+]2CC3(C2)C[C@@H](OC)CS3)c1 ZINC000247902390 371145498 /nfs/dbraw/zinc/14/54/98/371145498.db2.gz RBCREPGQECSWSF-CQSZACIVSA-N 1 0 279.405 2.402 40 0 CEABRO C[NH+]1CCC2(CC1)OCC[C@H]2CCOCc1ccncc1 ZINC000248083386 371160136 /nfs/dbraw/zinc/16/01/36/371160136.db2.gz QVBUGDYWFZEAFM-MRXNPFEDSA-N 1 0 290.407 2.489 40 0 CEABRO CCN(C(=O)OC(C)(C)C)[C@H]1CC[C@H]([NH2+]CCO)CC1 ZINC000252517368 371451920 /nfs/dbraw/zinc/45/19/20/371451920.db2.gz GWSDVDIEKVCTQD-JOCQHMNTSA-N 1 0 286.416 2.137 40 0 CEABRO CNc1ncccc1C[N@@H+]1CC[C@H](c2nccc(C)n2)C1 ZINC000257344094 371612884 /nfs/dbraw/zinc/61/28/84/371612884.db2.gz ZVTGLKDZAYFIEL-AWEZNQCLSA-N 1 0 283.379 2.211 40 0 CEABRO CCn1cc(C[NH2+]Cc2cnn(CC(F)F)c2C)c(C)n1 ZINC000256053224 190004594 /nfs/dbraw/zinc/00/45/94/190004594.db2.gz QOBWQCJINZPJQQ-UHFFFAOYSA-N 1 0 297.353 2.271 40 0 CEABRO Cc1ncoc1C(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3[NH2+]C2 ZINC000257211854 190011960 /nfs/dbraw/zinc/01/19/60/190011960.db2.gz CASYJSPXZNHVJM-RSUWNVLCSA-N 1 0 289.379 2.118 40 0 CEABRO Cc1noc(C)c1-c1cc([C@@H]2CCC[NH2+]2)nc(C)n1 ZINC000257211823 190012598 /nfs/dbraw/zinc/01/25/98/190012598.db2.gz CAOIEZDQHCLJRV-NSHDSACASA-N 1 0 258.325 2.481 40 0 CEABRO Cc1cccnc1C[N@@H+]1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC000257230063 190016164 /nfs/dbraw/zinc/01/61/64/190016164.db2.gz GAPUPISXECDOGW-IAGOWNOFSA-N 1 0 284.359 2.014 40 0 CEABRO c1nc2ccccc2n1-c1cc(C[C@H]2CCC[NH2+]C2)ncn1 ZINC000257228634 190016310 /nfs/dbraw/zinc/01/63/10/190016310.db2.gz FUQQFSBZNSSQMW-CYBMUJFWSA-N 1 0 293.374 2.358 40 0 CEABRO Cc1cc(-c2cnc(CC3CC[NH+](C)CC3)cn2)n[nH]1 ZINC000257239514 190017758 /nfs/dbraw/zinc/01/77/58/190017758.db2.gz HPRNJJAPMSAYJR-UHFFFAOYSA-N 1 0 271.368 2.059 40 0 CEABRO Cc1c[nH]nc1[C@@H]1CCC[N@H+](Cc2[nH]cnc2C)C1 ZINC000257282236 190026239 /nfs/dbraw/zinc/02/62/39/190026239.db2.gz OSZCTUCPMDXIKM-GFCCVEGCSA-N 1 0 259.357 2.129 40 0 CEABRO CNc1cc([C@H]2CCC[N@@H+]2C2CCN(C)CC2)ccn1 ZINC000257288060 190027322 /nfs/dbraw/zinc/02/73/22/190027322.db2.gz PSQFEDQOAPGJOK-OAHLLOKOSA-N 1 0 274.412 2.354 40 0 CEABRO c1[nH]nc2nc([C@H]3CCC[N@@H+](Cc4cnccn4)C3)ccc12 ZINC000257327801 190034728 /nfs/dbraw/zinc/03/47/28/190034728.db2.gz XCUCRQQAEUQGGD-ZDUSSCGKSA-N 1 0 294.362 2.128 40 0 CEABRO Cc1cc(-c2cnc(C[C@@H]3CCC[N@@H+](C)C3)cn2)n[nH]1 ZINC000257329384 190035153 /nfs/dbraw/zinc/03/51/53/190035153.db2.gz XJTOTBKNTIVXLA-LBPRGKRZSA-N 1 0 271.368 2.059 40 0 CEABRO Cc1ccnc([C@H]2CC[N@H+](Cc3ncccc3C)C2)n1 ZINC000257332126 190035286 /nfs/dbraw/zinc/03/52/86/190035286.db2.gz XVWFXHFDFMEDPA-AWEZNQCLSA-N 1 0 268.364 2.478 40 0 CEABRO Cc1cccnc1Nc1nccc(C2CC[NH2+]CC2)n1 ZINC000257340078 190037305 /nfs/dbraw/zinc/03/73/05/190037305.db2.gz ZEJJEEJVRRAXHM-UHFFFAOYSA-N 1 0 269.352 2.391 40 0 CEABRO O=C(c1cccc2ccccc21)N1CCC[NH2+]CC1 ZINC000019265659 284708520 /nfs/dbraw/zinc/70/85/20/284708520.db2.gz NIPZOEIYGROZLA-UHFFFAOYSA-N 1 0 254.333 2.275 40 0 CEABRO CC(C)CC[N@H+]1C[C@@H]2[C@H](C1)Oc1ccccc1C(=O)N2C ZINC000514290191 379129216 /nfs/dbraw/zinc/12/92/16/379129216.db2.gz UYUSWMQGKOQYDI-ZBFHGGJFSA-N 1 0 288.391 2.250 40 0 biogenic,in-vitro CEABRO C[NH+](C)C[C@H]1CCC[C@]2(CCN(C(=O)C3=CCCC3)C2)O1 ZINC000096209190 256824357 /nfs/dbraw/zinc/82/43/57/256824357.db2.gz LHNVYJPNOHGCFA-NVXWUHKLSA-N 1 0 292.423 2.199 40 0 CEABRO CC(C)(C)OC(=O)N1CCCc2ccc(C[NH3+])nc21 ZINC000002527465 394453137 /nfs/dbraw/zinc/45/31/37/394453137.db2.gz MNWCZZLNXDJWKU-UHFFFAOYSA-N 1 0 263.341 2.228 40 0 CEABRO C[C@H]1C[NH2+]CCN1Cc1ccccc1Br ZINC000054373106 394559838 /nfs/dbraw/zinc/55/98/38/394559838.db2.gz CUEMRYATTOTBBS-JTQLQIEISA-N 1 0 269.186 2.243 40 0 CEABRO CC[C@@H]([NH3+])[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C ZINC000072208801 394592241 /nfs/dbraw/zinc/59/22/41/394592241.db2.gz GNHNJLXZUVGRJW-ZJUUUORDSA-N 1 0 258.362 2.096 40 0 CEABRO CC(C)Nc1ccc2nc(C3CC[NH2+]CC3)nn2c1 ZINC000096260706 394678777 /nfs/dbraw/zinc/67/87/77/394678777.db2.gz MDHDNSYZVGWWGU-UHFFFAOYSA-N 1 0 259.357 2.017 40 0 CEABRO CC(C)(C)OC(=O)N1C[C@@H]([NH3+])[C@](C)(C(F)(F)F)C1 ZINC000199784100 400297665 /nfs/dbraw/zinc/29/76/65/400297665.db2.gz PMJPHYRIBXKIDH-GMSGAONNSA-N 1 0 268.279 2.133 40 0 CEABRO CC1CC[NH+](CC(=O)NCCc2ccc(F)cc2)CC1 ZINC000004968595 170047052 /nfs/dbraw/zinc/04/70/52/170047052.db2.gz WMKZHFLGTZKSAE-UHFFFAOYSA-N 1 0 278.371 2.216 40 0 CEABRO c1ccc(CC2=[NH+][C@@H]3C=Cc4nsnc4[C@H]3N2)cc1 ZINC000006227624 170183846 /nfs/dbraw/zinc/18/38/46/170183846.db2.gz KVIWBINWIUKDPJ-MFKMUULPSA-N 1 0 268.345 2.219 40 0 CEABRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)C1CC1 ZINC000008430358 170336015 /nfs/dbraw/zinc/33/60/15/170336015.db2.gz UKYVDXGZNFQPJH-UHFFFAOYSA-N 1 0 258.365 2.309 40 0 CEABRO CCOc1cc(C=O)ccc1OCCC[NH+](C)C ZINC000008731590 170351280 /nfs/dbraw/zinc/35/12/80/170351280.db2.gz XJMRZDFHRKZUOT-UHFFFAOYSA-N 1 0 251.326 2.228 40 0 CEABRO Cc1cc(Br)ccc1OCC1C[NH2+]C1 ZINC000038580793 174148393 /nfs/dbraw/zinc/14/83/93/174148393.db2.gz BDAQIRHWHSTAFS-UHFFFAOYSA-N 1 0 256.143 2.356 40 0 CEABRO Brc1cccc(NCC2CC[NH2+]CC2)n1 ZINC000040434970 174261047 /nfs/dbraw/zinc/26/10/47/174261047.db2.gz WNTXCMYAUHJPQS-UHFFFAOYSA-N 1 0 270.174 2.256 40 0 CEABRO CC(C)(C)OC(=O)Nc1c(C[NH3+])ccc2c1OCCO2 ZINC000228917789 414846196 /nfs/dbraw/zinc/84/61/96/414846196.db2.gz KOZXKQAXCPVIQK-UHFFFAOYSA-N 1 0 280.324 2.264 40 0 CEABRO [NH3+]CC1CCN(C(=O)c2nccc3ccccc32)CC1 ZINC000044512505 175188456 /nfs/dbraw/zinc/18/84/56/175188456.db2.gz OTOOSFOMLSOGBO-UHFFFAOYSA-N 1 0 269.348 2.046 40 0 CEABRO CCOC(=O)C[C@](C)([NH2+]C)c1ccc(OC)cc1 ZINC000072210260 176342888 /nfs/dbraw/zinc/34/28/88/176342888.db2.gz FIXDDEWZLIVAEM-AWEZNQCLSA-N 1 0 251.326 2.083 40 0 CEABRO Cn1cc(C[N@@H+]2CCC[C@@H](Cc3cccnc3)C2)cn1 ZINC000072385812 176390511 /nfs/dbraw/zinc/39/05/11/176390511.db2.gz RHBGBSUMXXQDDZ-HNNXBMFYSA-N 1 0 270.380 2.270 40 0 CEABRO O=C(Cc1cccs1)NCCC[NH+]1CCCCC1 ZINC000078477377 177344644 /nfs/dbraw/zinc/34/46/44/177344644.db2.gz WSMBBUQJJAPFLD-UHFFFAOYSA-N 1 0 266.410 2.283 40 0 CEABRO CC1=CCC[C@@H](C)[C@H]1C[N@@H+](C)[C@@H](C)CS(C)(=O)=O ZINC000191070797 262188940 /nfs/dbraw/zinc/18/89/40/262188940.db2.gz NPIUSJCKCVLBNT-RDBSUJKOSA-N 1 0 273.442 2.344 40 0 CEABRO Cc1cc(C)nc(NCC[NH2+]CCc2ccccc2)n1 ZINC000062717876 262302059 /nfs/dbraw/zinc/30/20/59/262302059.db2.gz SGOJDGYRZATNFM-UHFFFAOYSA-N 1 0 270.380 2.338 40 0 CEABRO CC(C)N1c2ccc(F)cc2C2(CC[NH2+]CC2)C1=O ZINC000101883395 275962354 /nfs/dbraw/zinc/96/23/54/275962354.db2.gz GMXXKXOTILPWFI-UHFFFAOYSA-N 1 0 262.328 2.202 40 0 CEABRO CCN(CC)CC[NH2+][C@@H](C)C(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000022586298 279107493 /nfs/dbraw/zinc/10/74/93/279107493.db2.gz CXSVMOSHBAQULZ-KKUMJFAQSA-N 1 0 283.460 2.096 40 0 CEABRO Cc1nnc([C@@]23CCO[C@@H]2CC[N@@H+](C2CCCCC2)C3)o1 ZINC000097953372 279232369 /nfs/dbraw/zinc/23/23/69/279232369.db2.gz KCLUFOXPWHZRRS-GDBMZVCRSA-N 1 0 291.395 2.443 40 0 CEABRO [NH3+]C[C@H]1CC[C@H]([C@@H](NC(=O)C2CC2)c2ccccn2)CC1 ZINC000257200035 327122384 /nfs/dbraw/zinc/12/23/84/327122384.db2.gz ABSWLIXOEIFQIP-XJKCOSOUSA-N 1 0 287.407 2.414 40 0 CEABRO COc1ccc(OC)c(N2CC[NH2+][C@H]3CCCC[C@H]32)c1 ZINC000218834751 333136900 /nfs/dbraw/zinc/13/69/00/333136900.db2.gz ULHVNLJGQYCJMY-UONOGXRCSA-N 1 0 276.380 2.425 40 0 CEABRO c1cc(CN2CC[NH2+][C@@H]3CCCC[C@@H]32)cc2c1OCO2 ZINC000225712105 333182119 /nfs/dbraw/zinc/18/21/19/333182119.db2.gz VRRUTLRSIXCUCJ-KGLIPLIRSA-N 1 0 274.364 2.132 40 0 CEABRO COc1ccc(CCN2CC[NH2+][C@@H]3CCCC[C@@H]32)cc1 ZINC000225712401 333182230 /nfs/dbraw/zinc/18/22/30/333182230.db2.gz JXGRNVWDZAPPFU-SJORKVTESA-N 1 0 274.408 2.454 40 0 CEABRO CC(C)(C)c1ccccc1NC(=O)CN1CCC[NH2+]CC1 ZINC000061270407 519057691 /nfs/dbraw/zinc/05/76/91/519057691.db2.gz INMTZTNILQXMFY-UHFFFAOYSA-N 1 0 289.423 2.218 40 0 CEABRO [NH3+]C[C@]1(CO)C[C@@H]1c1ccccc1OC(F)(F)F ZINC000062713730 527242409 /nfs/dbraw/zinc/24/24/09/527242409.db2.gz YQYCYENBNBYWOS-KOLCDFICSA-N 1 0 261.243 2.010 40 0 CEABRO CCOc1ccc(NC(=S)NC2CC[NH+](C)CC2)cc1 ZINC000013775596 528553636 /nfs/dbraw/zinc/55/36/36/528553636.db2.gz PGQJDDFPSFJUNJ-UHFFFAOYSA-N 1 0 293.436 2.466 40 0 CEABRO Cc1noc([C@H]2C[C@H]3OCC[C@H]3[N@H+](Cc3ccoc3)C2)n1 ZINC000097953659 230388620 /nfs/dbraw/zinc/38/86/20/230388620.db2.gz ULNFMKREJYHTCM-BFHYXJOUSA-N 1 0 289.335 2.118 40 0 CEABRO CN1CCC2(CC[NH+](Cc3ccsc3)CC2)C1=O ZINC000096046710 185071170 /nfs/dbraw/zinc/07/11/70/185071170.db2.gz VQUCTJSCSOSKHB-UHFFFAOYSA-N 1 0 264.394 2.192 40 0 CEABRO C[N@@H+]1CCC[C@]2(CN(Cc3cccs3)CCO2)C1 ZINC000096049059 185072749 /nfs/dbraw/zinc/07/27/49/185072749.db2.gz KPDQBGYWMBSKGJ-CQSZACIVSA-N 1 0 266.410 2.045 40 0 CEABRO COc1ccc2ccccc2c1[C@H](C[NH3+])N1CCOCC1 ZINC000033442885 361780136 /nfs/dbraw/zinc/78/01/36/361780136.db2.gz ZKTNTRRXTPDEHJ-HNNXBMFYSA-N 1 0 286.375 2.180 40 0 CEABRO COc1cccc(C[N@H+]2CCC[C@]3(C[C@@H](OC)CO3)C2)c1 ZINC000096107193 185100083 /nfs/dbraw/zinc/10/00/83/185100083.db2.gz QXRDKWZSBDPMSJ-SJORKVTESA-N 1 0 291.391 2.465 40 0 CEABRO [NH3+]CCN1C(=O)S[C@@H](c2ccccc2Cl)C1=O ZINC000039320018 361989493 /nfs/dbraw/zinc/98/94/93/361989493.db2.gz KCJFIIAJJKWAQW-VIFPVBQESA-N 1 0 270.741 2.035 40 0 CEABRO CC[N@H+](CCO)Cc1ccc(Br)cc1 ZINC000042222167 362071508 /nfs/dbraw/zinc/07/15/08/362071508.db2.gz CVUXUVPJKXIVII-UHFFFAOYSA-N 1 0 258.159 2.263 40 0 CEABRO Cc1ccccc1OCC(=O)NCCC[NH+]1CCCCC1 ZINC000010276721 343363890 /nfs/dbraw/zinc/36/38/90/343363890.db2.gz MBTCASUWUFJKBA-UHFFFAOYSA-N 1 0 290.407 2.366 40 0 CEABRO CC(C)(C)OC(=O)CC[NH2+]Cc1ccc2c(c1)OCO2 ZINC000047218969 362201780 /nfs/dbraw/zinc/20/17/80/362201780.db2.gz YPPOVGRGRVWAES-UHFFFAOYSA-N 1 0 279.336 2.237 40 0 CEABRO CCCNC(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000047676085 362221231 /nfs/dbraw/zinc/22/12/31/362221231.db2.gz QSIFIMXXYYDVDY-UHFFFAOYSA-N 1 0 275.396 2.144 40 0 CEABRO CC(C)(C)OC(=O)N[C@@H]1C[NH2+]C[C@@H]1C1CCCC1 ZINC000059966616 343654708 /nfs/dbraw/zinc/65/47/08/343654708.db2.gz BPXYRGXZPFXSFZ-VXGBXAGGSA-N 1 0 254.374 2.289 40 0 CEABRO c1cc(-c2nnc([C@H]3CC[N@@H+](CC4CC4)C3)o2)ccn1 ZINC000049169629 362342791 /nfs/dbraw/zinc/34/27/91/362342791.db2.gz GXVNOHLLIGVYDO-ZDUSSCGKSA-N 1 0 270.336 2.331 40 0 biogenic,in-vitro CEABRO C[NH2+][C@H]1CC[C@@H](NC(=O)OCc2ccccc2)CC1 ZINC000142325785 344403079 /nfs/dbraw/zinc/40/30/79/344403079.db2.gz XDCBEZOARUDTIU-HDJSIYSDSA-N 1 0 262.353 2.443 40 0 CEABRO CC(C)(C)OC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCC[C@H]1[NH3+] ZINC000409438919 344889704 /nfs/dbraw/zinc/88/97/04/344889704.db2.gz DZRHNLUFYDTBDN-YNEHKIRRSA-N 1 0 284.400 2.282 40 0 CEABRO Cc1cc(C(=O)N[C@@H]2c3ccccc3[C@@H]3C[N@H+](C)C[C@@H]32)no1 ZINC000585109835 345005604 /nfs/dbraw/zinc/00/56/04/345005604.db2.gz ZINAPSNKBRGMDN-OFQRWUPVSA-N 1 0 297.358 2.113 40 0 CEABRO CCCC[C@H]1CN(c2cccc(C(=O)OC)c2)CC[NH2+]1 ZINC000054965475 362541343 /nfs/dbraw/zinc/54/13/43/362541343.db2.gz CFLSJZYLFMJBNG-AWEZNQCLSA-N 1 0 276.380 2.442 40 0 CEABRO OCCN1CCC[C@@H](C[N@H+](Cc2ccccc2)C2CC2)C1 ZINC000079414409 363596538 /nfs/dbraw/zinc/59/65/38/363596538.db2.gz RJRPCZJXJYIDFV-QGZVFWFLSA-N 1 0 288.435 2.355 40 0 CEABRO CC1CC[NH+](C[C@@H](O)COc2ccc(F)cc2)CC1 ZINC000000249888 361152000 /nfs/dbraw/zinc/15/20/00/361152000.db2.gz IBDZWWPLDGLSNK-CQSZACIVSA-N 1 0 267.344 2.297 40 0 CEABRO C[NH2+][C@H]1Cc2c[nH]c3cccc(c23)[C@]12C=C(C)C(=O)O2 ZINC000001559984 361207774 /nfs/dbraw/zinc/20/77/74/361207774.db2.gz QTWQJTORJVFWAQ-XJKSGUPXSA-N 1 0 268.316 2.010 40 0 CEABRO NC(=O)c1ccc[n+](Cc2ccc(Cl)cc2Cl)c1 ZINC000001566893 361208746 /nfs/dbraw/zinc/20/87/46/361208746.db2.gz KCOMCWPUCLEWQU-UHFFFAOYSA-O 1 0 282.150 2.428 40 0 CEABRO CC(C)(C)OC(=O)NCC[NH2+]CCNc1ccccc1 ZINC000001651316 361213357 /nfs/dbraw/zinc/21/33/57/361213357.db2.gz MEMDJFQKOBLTMX-UHFFFAOYSA-N 1 0 279.384 2.213 40 0 CEABRO COc1ccc2c(c1)CC[N@H+]([C@@H]1CCC[C@H](O)C1)C2 ZINC000001672616 361216419 /nfs/dbraw/zinc/21/64/19/361216419.db2.gz FWTBJEAJFRCRAA-CABCVRRESA-N 1 0 261.365 2.357 40 0 CEABRO CC[NH2+]CCC(=O)Nc1ccc(C(=O)OCC(C)C)cc1 ZINC000001672733 361216434 /nfs/dbraw/zinc/21/64/34/361216434.db2.gz MBSAZFYJSKBRKD-UHFFFAOYSA-N 1 0 292.379 2.438 40 0 CEABRO CCOC(C[NH2+]Cc1cccc(OC)c1)OCC ZINC000001704005 361218601 /nfs/dbraw/zinc/21/86/01/361218601.db2.gz GHVLUBKIANTNMU-UHFFFAOYSA-N 1 0 253.342 2.184 40 0 CEABRO CC(C)[C@@H]1[C@H]2OC(=O)[C@@H]1[C@@H]1CC[C@@H]3C[N@H+](C)[C@H]2[C@@]31C ZINC000004098437 361300275 /nfs/dbraw/zinc/30/02/75/361300275.db2.gz RYAHJFGVOCZDEI-UFFNCVEVSA-N 1 0 263.381 2.160 40 0 in-vitro CEABRO O=C(c1ccco1)N1CC[NH+]([C@@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000004508862 361319826 /nfs/dbraw/zinc/31/98/26/361319826.db2.gz JNBIVZBQVAGIIN-BFHYXJOUSA-N 1 0 274.364 2.226 40 0 CEABRO C[NH+](C)CCCNC(=O)CCSCc1ccccc1 ZINC000013688199 361436752 /nfs/dbraw/zinc/43/67/52/361436752.db2.gz CNMBGCIZYGPDAL-UHFFFAOYSA-N 1 0 280.437 2.378 40 0 CEABRO OC[C@H]1CCC[N@H+](Cc2c[nH]nc2-c2cccs2)C1 ZINC000019343912 361528294 /nfs/dbraw/zinc/52/82/94/361528294.db2.gz WKDVEJYTSKGIDE-NSHDSACASA-N 1 0 277.393 2.343 40 0 CEABRO Cc1ccsc1C[N@@H+](CCCO)Cc1cn(C)nc1C ZINC000019238590 361522427 /nfs/dbraw/zinc/52/24/27/361522427.db2.gz OISBDRQOPRDEJN-UHFFFAOYSA-N 1 0 293.436 2.483 40 0 CEABRO COc1ccc(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)cc1 ZINC000019575748 361543226 /nfs/dbraw/zinc/54/32/26/361543226.db2.gz YIBMDJHUYQYHFA-ZFWWWQNUSA-N 1 0 260.381 2.364 40 0 CEABRO Clc1cnc(N2CC[NH2+]CC2)c2ccsc21 ZINC000019721596 361548407 /nfs/dbraw/zinc/54/84/07/361548407.db2.gz DTOFQOXMULGSBG-UHFFFAOYSA-N 1 0 253.758 2.359 40 0 CEABRO CNC(=O)[C@@]1(C)CCC[N@H+](CCOc2ccc(C)cc2)C1 ZINC000019746652 361550390 /nfs/dbraw/zinc/55/03/90/361550390.db2.gz UJBUBNFCUQBXAM-KRWDZBQOSA-N 1 0 290.407 2.222 40 0 CEABRO O=C(C1CC1)N1C[C@H]2CC[C@@H](CC1=O)[N@@H+]2Cc1ccccc1 ZINC000019371556 361530108 /nfs/dbraw/zinc/53/01/08/361530108.db2.gz ROIRYEOBPOJFJK-JKSUJKDBSA-N 1 0 298.386 2.189 40 0 CEABRO Cn1nc(C[NH+](C)C)c(-c2cccc(Cl)c2)c1N ZINC000026511957 361643495 /nfs/dbraw/zinc/64/34/95/361643495.db2.gz POIAAYTZQDDJEN-UHFFFAOYSA-N 1 0 264.760 2.384 40 0 CEABRO CC[C@H](Oc1cc(C)ccc1C)C(=O)NCC[NH+](C)C ZINC000030853849 361703688 /nfs/dbraw/zinc/70/36/88/361703688.db2.gz PAHICRKNRRKTSX-AWEZNQCLSA-N 1 0 278.396 2.139 40 0 CEABRO CN(C)C[C@H](C[NH+]1CCCC1)C(=O)c1ccccc1 ZINC000031959522 361724165 /nfs/dbraw/zinc/72/41/65/361724165.db2.gz PESNANQSYBTIMQ-OAHLLOKOSA-N 1 0 260.381 2.143 40 0 CEABRO CO[C@H]1C[N@H+](Cc2ccccc2F)[C@@H]2CCCO[C@@H]21 ZINC000096187008 364407027 /nfs/dbraw/zinc/40/70/27/364407027.db2.gz FJICGEZFGKRXPF-ILXRZTDVSA-N 1 0 265.328 2.204 40 0 CEABRO CC[NH+](CC)Cc1cn2c(n1)CN(Cc1ccoc1)CC2 ZINC000096197178 364408844 /nfs/dbraw/zinc/40/88/44/364408844.db2.gz OCYHQPLXRDORQS-UHFFFAOYSA-N 1 0 288.395 2.334 40 0 CEABRO COC[C@H]1C[N@H+](C)C[C@@]12CCN(Cc1cccs1)C2 ZINC000096217067 364413128 /nfs/dbraw/zinc/41/31/28/364413128.db2.gz SNUDYNPFHTZCHQ-UKRRQHHQSA-N 1 0 280.437 2.148 40 0 CEABRO CC(=O)N1CCC[C@@]2(CC[N@H+](Cc3ccoc3)C2)C1 ZINC000096268729 364419736 /nfs/dbraw/zinc/41/97/36/364419736.db2.gz MMIILQJHOYMBLC-HNNXBMFYSA-N 1 0 262.353 2.114 40 0 CEABRO Cn1c2ccccc2nc1CN1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000096268579 364420465 /nfs/dbraw/zinc/42/04/65/364420465.db2.gz KORVTTKRNXMDIQ-GOSISDBHSA-N 1 0 298.434 2.491 40 0 CEABRO CCOC[C@H]1CC[N@H+](C)C2(CN(Cc3ccco3)C2)C1 ZINC000585103114 367178881 /nfs/dbraw/zinc/17/88/81/367178881.db2.gz QNPDRIOKRMWICX-AWEZNQCLSA-N 1 0 278.396 2.212 40 0 CEABRO C[N@H+](CC1(O)CCCCCC1)[C@H]1CCCC[C@@H]1O ZINC000187329377 369141165 /nfs/dbraw/zinc/14/11/65/369141165.db2.gz WGPJETARVFOASI-KBPBESRZSA-N 1 0 255.402 2.307 40 0 CEABRO C[C@H](Oc1cccc2c1CCCC2)C(=O)NCC[NH+](C)C ZINC000225564022 370303570 /nfs/dbraw/zinc/30/35/70/370303570.db2.gz BNYFBFVEJUXPIV-ZDUSSCGKSA-N 1 0 290.407 2.011 40 0 CEABRO C[N@H+]1Cc2cccn2[C@H](CCOc2ccccn2)C1 ZINC000248159648 371165841 /nfs/dbraw/zinc/16/58/41/371165841.db2.gz WYVVNRAAHVKLNQ-CQSZACIVSA-N 1 0 257.337 2.339 40 0 CEABRO Nc1ncc(-c2cccc(F)c2)c([C@@H]2CCC[NH2+]2)n1 ZINC000257198143 371608043 /nfs/dbraw/zinc/60/80/43/371608043.db2.gz URSRAGORNADHGB-LBPRGKRZSA-N 1 0 258.300 2.289 40 0 CEABRO CCc1ccc(C(=O)N2CCOC[C@@H]2c2nc(C)c[nH]2)cc1 ZINC000257236396 371609800 /nfs/dbraw/zinc/60/98/00/371609800.db2.gz HBYYIAYSTFFNBO-OAHLLOKOSA-N 1 0 299.374 2.494 40 0 CEABRO CNc1cccc([C@@H]2CN(c3cccc(C)n3)CCO2)n1 ZINC000257285037 371611400 /nfs/dbraw/zinc/61/14/00/371611400.db2.gz PFIKZDFEZSXJIZ-AWEZNQCLSA-N 1 0 284.363 2.405 40 0 CEABRO Cc1cccc(N2CCO[C@H](CCc3cc(C)ncn3)C2)n1 ZINC000257270311 371611702 /nfs/dbraw/zinc/61/17/02/371611702.db2.gz MTQPQGKISSLDNT-MRXNPFEDSA-N 1 0 298.390 2.326 40 0 CEABRO Cc1cc(N2CCO[C@H](Cc3cccc(F)c3)C2)ncn1 ZINC000257323371 371613875 /nfs/dbraw/zinc/61/38/75/371613875.db2.gz WJWYZALNGTYEHB-OAHLLOKOSA-N 1 0 287.338 2.372 40 0 CEABRO CCn1cc(C[NH2+]Cc2cnn(C(C)C)c2C)cn1 ZINC000256050126 190003189 /nfs/dbraw/zinc/00/31/89/190003189.db2.gz CTZYUNHWTGGCFS-UHFFFAOYSA-N 1 0 261.373 2.279 40 0 CEABRO Cc1c(C[NH2+]Cc2cnn(CCF)c2)cnn1C(C)C ZINC000256052021 190003540 /nfs/dbraw/zinc/00/35/40/190003540.db2.gz LOIGMKANTGHEIW-UHFFFAOYSA-N 1 0 279.363 2.228 40 0 CEABRO O[C@@H]1CCCC[C@H]1[NH+]1CCC(O)(c2ccccc2F)CC1 ZINC000257213685 190013027 /nfs/dbraw/zinc/01/30/27/190013027.db2.gz CIQPYJJYXVEWKF-HZPDHXFCSA-N 1 0 293.382 2.413 40 0 CEABRO C[C@]12CCCN(C(=O)COc3ccccc3)[C@@H]1CCC[NH2+]2 ZINC000257255384 190020601 /nfs/dbraw/zinc/02/06/01/190020601.db2.gz KHGAZZIXRBTKPL-WBVHZDCISA-N 1 0 288.391 2.199 40 0 CEABRO CC(C)[N@@H+]1CCC[C@H](c2cnc(N3CCOC3=O)cn2)C1 ZINC000257257196 190021421 /nfs/dbraw/zinc/02/14/21/190021421.db2.gz KOMICXPVSREAOB-LBPRGKRZSA-N 1 0 290.367 2.021 40 0 CEABRO CC(C)n1cc(-c2cnc(C3CC[NH2+]CC3)cn2)cn1 ZINC000257257816 190021504 /nfs/dbraw/zinc/02/15/04/190021504.db2.gz KREOXRNHLRVUPR-UHFFFAOYSA-N 1 0 271.368 2.388 40 0 CEABRO O[C@H]1C[N@H+](Cc2ccnc3ccccc23)CC[C@@]12CCCO2 ZINC000257309653 190031405 /nfs/dbraw/zinc/03/14/05/190031405.db2.gz UBVAGRVEHTZBGI-ROUUACIJSA-N 1 0 298.386 2.351 40 0 CEABRO CC(C)[N@@H+]1CC[C@@H](c2n[nH]cc2-c2ccnc(N)c2)C1 ZINC000257290439 190027683 /nfs/dbraw/zinc/02/76/83/190027683.db2.gz QCYUQGNILGDDAJ-GFCCVEGCSA-N 1 0 271.368 2.252 40 0 CEABRO O=C(C1CC[NH2+]CC1)N1CCC[C@H]1CCc1ccncc1 ZINC000257302021 190030536 /nfs/dbraw/zinc/03/05/36/190030536.db2.gz SBALADRMMBSBEN-INIZCTEOSA-N 1 0 287.407 2.005 40 0 CEABRO CCn1cnc2cc(NC(=O)[C@]3(C)CCC[NH2+]C3)ccc21 ZINC000257313155 190032147 /nfs/dbraw/zinc/03/21/47/190032147.db2.gz URFLBBNTQMZAKL-MRXNPFEDSA-N 1 0 286.379 2.384 40 0 CEABRO c1cc2c(nccc2C[C@@H]2COC3(C2)CC[NH2+]CC3)[nH]1 ZINC000257331865 190035256 /nfs/dbraw/zinc/03/52/56/190035256.db2.gz XUPBRDUZYTZNNS-LBPRGKRZSA-N 1 0 271.364 2.264 40 0 CEABRO c1cc2c(nccc2C[C@H]2COC3(C2)CC[NH2+]CC3)[nH]1 ZINC000257331864 190035834 /nfs/dbraw/zinc/03/58/34/190035834.db2.gz XUPBRDUZYTZNNS-GFCCVEGCSA-N 1 0 271.364 2.264 40 0 CEABRO CC(C)[NH+]1CCC(c2cnc(-c3ccnn3C)cn2)CC1 ZINC000257339259 190037345 /nfs/dbraw/zinc/03/73/45/190037345.db2.gz ZAYWAWSAKALFNS-UHFFFAOYSA-N 1 0 285.395 2.465 40 0 CEABRO O=C(NC[C@]1(F)CCC[NH2+]CC1)OCc1ccccc1 ZINC000261507585 190040046 /nfs/dbraw/zinc/04/00/46/190040046.db2.gz KBGLOTMPPACZHP-HNNXBMFYSA-N 1 0 280.343 2.395 40 0 CEABRO C[C@H]1[C@@H](C[NH3+])CCCN1C(=O)OCc1ccccc1 ZINC000261508045 190040058 /nfs/dbraw/zinc/04/00/58/190040058.db2.gz PFJWIVGSPJSBPC-GXTWGEPZSA-N 1 0 262.353 2.382 40 0 CEABRO O=C(c1cccs1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000257728894 190038109 /nfs/dbraw/zinc/03/81/09/190038109.db2.gz WVIKQNSSBZLFNE-UHFFFAOYSA-N 1 0 264.394 2.354 40 0 CEABRO CCN1C(=O)CC[C@@]12CCC[N@H+](CC1CC1)CC2 ZINC000096047508 285160082 /nfs/dbraw/zinc/16/00/82/285160082.db2.gz XSKIZTLWHDLUKM-OAHLLOKOSA-N 1 0 250.386 2.263 40 0 CEABRO C[NH2+]C1CCN(c2cc(Cl)nc(SC)n2)CC1 ZINC000072203405 134982590 /nfs/dbraw/zinc/98/25/90/134982590.db2.gz TXRKZODEHBDUDM-UHFFFAOYSA-N 1 0 272.805 2.040 40 0 CEABRO CC[N@@H+]1CCC[C@@H]1c1cnc(N2CCOCC2)c(C)c1 ZINC000072219331 394593437 /nfs/dbraw/zinc/59/34/37/394593437.db2.gz IRALUGSUEXLGFR-OAHLLOKOSA-N 1 0 275.396 2.383 40 0 CEABRO Cc1nc(N2CC[NH2+]CC2)ccc1C(=O)c1ccccc1 ZINC000072224619 394594522 /nfs/dbraw/zinc/59/45/22/394594522.db2.gz CVXWOPXAWGMCLL-UHFFFAOYSA-N 1 0 281.359 2.031 40 0 CEABRO Cc1cc(N2CCOCC2)ncc1[C@H]1CCCC[N@H+]1C ZINC000072219415 394594534 /nfs/dbraw/zinc/59/45/34/394594534.db2.gz DFYMOXQTQOPXJI-OAHLLOKOSA-N 1 0 275.396 2.383 40 0 CEABRO CN(C)C(=O)C[C@H](c1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000072208336 394592024 /nfs/dbraw/zinc/59/20/24/394592024.db2.gz NJNYDDLPSLBMGQ-CABCVRRESA-N 1 0 260.381 2.391 40 0 CEABRO CC(C)[N@@H+]1CCC[C@H](c2nccnc2-c2ncc[nH]2)C1 ZINC000257240438 394595601 /nfs/dbraw/zinc/59/56/01/394595601.db2.gz HTMURXPWLKNAQA-LBPRGKRZSA-N 1 0 271.368 2.455 40 0 CEABRO CC[C@@H]([C@@H]([NH3+])c1ccc(C)cc1)S(=O)(=O)CC ZINC000096524953 394697239 /nfs/dbraw/zinc/69/72/39/394697239.db2.gz CKZJMYYKLAUAMS-STQMWFEESA-N 1 0 255.383 2.208 40 0 CEABRO C[C@H](COC(=O)c1ccc(N)cc1)[NH2+]C1CCCC1 ZINC000001716458 169749234 /nfs/dbraw/zinc/74/92/34/169749234.db2.gz GCRJHEWGTMBSMV-LLVKDONJSA-N 1 0 262.353 2.346 40 0 CEABRO CCOC(=O)c1ccc2c(c1)[n+](CCOC)c(C)n2CC ZINC000004904774 170039033 /nfs/dbraw/zinc/03/90/33/170039033.db2.gz ATJIZNHGCJDIKU-UHFFFAOYSA-N 1 0 291.371 2.080 40 0 CEABRO [NH3+]C[C@@H](O)CSc1ccc(Cl)c(Cl)c1 ZINC000006092121 170175039 /nfs/dbraw/zinc/17/50/39/170175039.db2.gz LOWQSAJOHJTFNH-ZCFIWIBFSA-N 1 0 252.166 2.405 40 0 CEABRO O[C@H](C[NH2+]C1CCCCC1)COc1ccccc1F ZINC000006528786 170210899 /nfs/dbraw/zinc/21/08/99/170210899.db2.gz OBIHEAQWURHEIK-CYBMUJFWSA-N 1 0 267.344 2.488 40 0 CEABRO COc1cc(NC(=O)C[NH3+])ccc1-c1ccccc1 ZINC000008569614 170340879 /nfs/dbraw/zinc/34/08/79/170340879.db2.gz RWKKJZWRZJYXQS-UHFFFAOYSA-N 1 0 256.305 2.259 40 0 CEABRO Cc1ccc(C)c(O[C@H](C)C(=O)NCCC[NH+](C)C)c1 ZINC000013710905 170580892 /nfs/dbraw/zinc/58/08/92/170580892.db2.gz OTSFEYLEFLEHFQ-CQSZACIVSA-N 1 0 278.396 2.139 40 0 CEABRO Cc1ccc(C(C)C)c(OC[C@H](O)C[NH2+]C(C)(C)CO)c1 ZINC000026781235 171499161 /nfs/dbraw/zinc/49/91/61/171499161.db2.gz RRSANQKNFQPKNR-CQSZACIVSA-N 1 0 295.423 2.219 40 0 CEABRO CC(C)(C)OC(=O)N[C@H]1CCN(c2cccc(C[NH3+])c2)C1 ZINC000026896415 171502446 /nfs/dbraw/zinc/50/24/46/171502446.db2.gz GYHWGCOCFGBHHQ-ZDUSSCGKSA-N 1 0 291.395 2.249 40 0 CEABRO CC(C)NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000038832182 174157056 /nfs/dbraw/zinc/15/70/56/174157056.db2.gz YLMKBINVCFQWPO-HNNXBMFYSA-N 1 0 260.381 2.423 40 0 CEABRO COc1cccc([C@H](C[NH3+])N2CCCCC2)c1OC ZINC000038827637 174157235 /nfs/dbraw/zinc/15/72/35/174157235.db2.gz ITECMPTUMRUARS-ZDUSSCGKSA-N 1 0 264.369 2.190 40 0 CEABRO CC[C@@H]1[N@H+](Cc2ccoc2)CCC[C@]12CCC(=O)N2 ZINC000096052392 287312898 /nfs/dbraw/zinc/31/28/98/287312898.db2.gz OPGVFVNCYNEIQL-ZFWWWQNUSA-N 1 0 262.353 2.303 40 0 CEABRO CC(C)N1CCCC[C@@](C)(C2CC[NH2+]CC2)C1=O ZINC000072343506 176371881 /nfs/dbraw/zinc/37/18/81/176371881.db2.gz PTJMOWIMEJQSDW-HNNXBMFYSA-N 1 0 252.402 2.413 40 0 CEABRO COc1ccc(-c2cnc(N)nc2[C@@H]2CCC[NH2+]C2)cc1 ZINC000072344131 176372410 /nfs/dbraw/zinc/37/24/10/176372410.db2.gz UOXFTPZSCGGXST-GFCCVEGCSA-N 1 0 284.363 2.201 40 0 CEABRO Cc1nccn1-c1cccc(C2CC[NH+](C)CC2)n1 ZINC000072355669 176374889 /nfs/dbraw/zinc/37/48/89/176374889.db2.gz HAYBBVQONKEIMA-UHFFFAOYSA-N 1 0 256.353 2.385 40 0 CEABRO COCC[NH+]1CCC(c2cc(C(F)(F)F)n[nH]2)CC1 ZINC000072356581 176375840 /nfs/dbraw/zinc/37/58/40/176375840.db2.gz GNOFJBJKNTVHPB-UHFFFAOYSA-N 1 0 277.290 2.254 40 0 CEABRO OCC[N@@H+]1CCC[C@H](c2cncc(Oc3ccccc3)n2)C1 ZINC000072361618 176377399 /nfs/dbraw/zinc/37/73/99/176377399.db2.gz OXPKOGYPFIZBQL-AWEZNQCLSA-N 1 0 299.374 2.441 40 0 CEABRO CC(=O)Nc1cc(CCC2CC[NH+](C)CC2)ccn1 ZINC000072378186 176385694 /nfs/dbraw/zinc/38/56/94/176385694.db2.gz VGKCPGSXSWBARN-UHFFFAOYSA-N 1 0 261.369 2.314 40 0 CEABRO Cc1nc(Nc2nccs2)cc([C@H]2CCC[NH2+]2)n1 ZINC000072382162 176388063 /nfs/dbraw/zinc/38/80/63/176388063.db2.gz PADMVBQTFZJAKV-SECBINFHSA-N 1 0 261.354 2.410 40 0 CEABRO Cc1nc(Cc2ccccc2)cc([C@H]2CC[NH2+]C2)n1 ZINC000072384564 176389035 /nfs/dbraw/zinc/38/90/35/176389035.db2.gz CTIXMCQLWQDXAI-AWEZNQCLSA-N 1 0 253.349 2.453 40 0 CEABRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cccc2nccnc12 ZINC000072397544 176395196 /nfs/dbraw/zinc/39/51/96/176395196.db2.gz QSQAIYIXQLYKIS-UKRRQHHQSA-N 1 0 282.391 2.298 40 0 CEABRO c1ccc([C@@H](C2CCOCC2)N2CC[NH2+]CC2)cc1 ZINC000076671300 177053665 /nfs/dbraw/zinc/05/36/65/177053665.db2.gz ZWPXMZZSZZZDSK-INIZCTEOSA-N 1 0 260.381 2.060 40 0 CEABRO CCN1C(=O)[C@H](c2ccccc2)CC12CC[NH2+]CC2 ZINC000096261141 265348822 /nfs/dbraw/zinc/34/88/22/265348822.db2.gz FOMRMOLZVOFTCE-AWEZNQCLSA-N 1 0 258.365 2.145 40 0 CEABRO CN(C)c1ccc2c(c1)[nH+]c(N(C)C)cc2N(C)C ZINC000001556990 276885521 /nfs/dbraw/zinc/88/55/21/276885521.db2.gz ZWPDQEUFHCAYIB-UHFFFAOYSA-N 1 0 258.369 2.433 40 0 CEABRO [NH3+]CC1(c2ccccc2Br)CCOCC1 ZINC000055336148 295223536 /nfs/dbraw/zinc/22/35/36/295223536.db2.gz GQQQOLQJYMPRMO-UHFFFAOYSA-N 1 0 270.170 2.456 40 0 CEABRO Cc1cccc(CN2Cc3cncn3[C@@H](CC[NH+](C)C)C2)n1 ZINC000306123186 328424245 /nfs/dbraw/zinc/42/42/45/328424245.db2.gz AGTYSVBXJZZKFR-INIZCTEOSA-N 1 0 299.422 2.095 40 0 CEABRO O=S(=O)(c1ccc(Cl)cc1Cl)[C@H]1CC[NH2+]C1 ZINC000083297438 327147858 /nfs/dbraw/zinc/14/78/58/327147858.db2.gz IZUYFUDBAHYKML-QMMMGPOBSA-N 1 0 280.176 2.129 40 0 CEABRO C[C@H]([NH2+]Cc1cnc(N2CCOCC2)nc1)c1ccccc1 ZINC000062717747 525478315 /nfs/dbraw/zinc/47/83/15/525478315.db2.gz MNWLMFNOZNJUSK-AWEZNQCLSA-N 1 0 298.390 2.164 40 0 CEABRO Nc1cccc(-c2n[nH]c(CC[NH+]3CCCCCC3)n2)c1 ZINC000062719508 527512240 /nfs/dbraw/zinc/51/22/40/527512240.db2.gz SZBIVZGBHNUYIM-UHFFFAOYSA-N 1 0 285.395 2.472 40 0 CEABRO COC(=O)[C@@H]1C[NH2+]C[C@@H]1c1ccc(C)cc1Cl ZINC000409423974 623495922 /nfs/dbraw/zinc/49/59/22/623495922.db2.gz WMGICSLBYXLPRF-GHMZBOCLSA-N 1 0 253.729 2.124 40 0 CEABRO CO[C@@H]1CC[C@H]2[C@H]1OCC[N@@H+]2Cc1ccccc1C ZINC000096041407 185068890 /nfs/dbraw/zinc/06/88/90/185068890.db2.gz SMXIZWHURSLCSS-ARFHVFGLSA-N 1 0 261.365 2.373 40 0 CEABRO O=C1CCC[C@@]2(CCC[N@H+](Cc3cccs3)C2)N1 ZINC000096049932 185073739 /nfs/dbraw/zinc/07/37/39/185073739.db2.gz RKQNOLQBNYLTTP-AWEZNQCLSA-N 1 0 264.394 2.383 40 0 CEABRO c1c2c(nn1CC1CC1)[C@@H](C[NH2+]Cc1ccccn1)OCC2 ZINC000096059750 185081876 /nfs/dbraw/zinc/08/18/76/185081876.db2.gz LXMCKCIYPAPJJC-MRXNPFEDSA-N 1 0 298.390 2.092 40 0 CEABRO c1ccc(N2CC[C@@]3(C2)COCC[N@@H+](CC2CC2)C3)nc1 ZINC000096062489 185083289 /nfs/dbraw/zinc/08/32/89/185083289.db2.gz QKXNXKFYCODMCP-QGZVFWFLSA-N 1 0 287.407 2.020 40 0 CEABRO Cn1nc(COc2cccnc2)c2c1CC[N@H+](CC1CC1)C2 ZINC000096084910 185091823 /nfs/dbraw/zinc/09/18/23/185091823.db2.gz ZQUSWTSVDGQXQU-UHFFFAOYSA-N 1 0 298.390 2.162 40 0 CEABRO C1CC1c1nnc([C@]23COC[C@H]2C[N@@H+](C2CCCC2)C3)o1 ZINC000096110127 185101091 /nfs/dbraw/zinc/10/10/91/185101091.db2.gz RATPSRRMVHEGRV-MLGOLLRUSA-N 1 0 289.379 2.089 40 0 CEABRO C[C@@H](C[NH2+]CCN1CCCCC1)C(=O)OC(C)(C)C ZINC000047219046 362201732 /nfs/dbraw/zinc/20/17/32/362201732.db2.gz XOFUWVXHOXLLON-ZDUSSCGKSA-N 1 0 270.417 2.040 40 0 CEABRO CC(C)OCCC[NH2+]C[C@@H](C)C(=O)OC(C)(C)C ZINC000047219148 362201858 /nfs/dbraw/zinc/20/18/58/362201858.db2.gz NFYDMCCDOPTTSV-GFCCVEGCSA-N 1 0 259.390 2.369 40 0 CEABRO CNc1ncc(C[NH2+]CCc2c[nH]c3ccccc23)cn1 ZINC000062717463 343672500 /nfs/dbraw/zinc/67/25/00/343672500.db2.gz VWXLLIKBHUJOGR-UHFFFAOYSA-N 1 0 281.363 2.332 40 0 CEABRO C[C@@H]1C[C@]1(C[NH3+])[C@H](O)c1ccc(Br)cc1 ZINC000096527168 344240094 /nfs/dbraw/zinc/24/00/94/344240094.db2.gz FWYXTFJWBKBSSN-GGZOMVNGSA-N 1 0 270.170 2.467 40 0 CEABRO O=C1C[C@H]2[C@@H](CC[N@@H+]2Cc2ccco2)N1c1cccnc1 ZINC000096184085 344238786 /nfs/dbraw/zinc/23/87/86/344238786.db2.gz VGKRUFAXDVPWMK-CABCVRRESA-N 1 0 283.331 2.054 40 0 CEABRO O=C1O[C@]2(CN1c1cccc(F)c1)CCC[NH2+]CC2 ZINC000218187600 344536247 /nfs/dbraw/zinc/53/62/47/344536247.db2.gz KTRDBJDJZMXWQK-CQSZACIVSA-N 1 0 264.300 2.295 40 0 CEABRO Cc1nc(N2CCc3ccccc3C2)cc(N[C@@H](C)CO)[nH+]1 ZINC000328960472 344758388 /nfs/dbraw/zinc/75/83/88/344758388.db2.gz AYFXUGFJUPCMHS-LBPRGKRZSA-N 1 0 298.390 2.140 40 0 CEABRO CC(C)(C)OC(=O)N1CCC2(CC1)OCC[C@@H]2CC[NH3+] ZINC000381909090 344825715 /nfs/dbraw/zinc/82/57/15/344825715.db2.gz XRJZCTFEQWCZOV-LBPRGKRZSA-N 1 0 284.400 2.141 40 0 CEABRO C[NH2+]CCc1cn(CCF)nc1-c1ccsc1 ZINC000409438155 344889448 /nfs/dbraw/zinc/88/94/48/344889448.db2.gz KFDLPWHRQCKIIQ-UHFFFAOYSA-N 1 0 253.346 2.343 40 0 CEABRO [NH3+]CCc1nc([C@@H](C2CCCC2)n2cccc2)no1 ZINC000409442249 344889542 /nfs/dbraw/zinc/88/95/42/344889542.db2.gz UIMXKJJAUWSQEL-CYBMUJFWSA-N 1 0 260.341 2.152 40 0 CEABRO CC(C)[NH+]1CC2(C1)C[C@@H](OCC1CCOCC1)CS2 ZINC000585104996 345005904 /nfs/dbraw/zinc/00/59/04/345005904.db2.gz NFUFZHCZGBCRJC-CQSZACIVSA-N 1 0 285.453 2.398 40 0 CEABRO Cc1[nH]c2ccc(NC(=O)[C@@H]3CC[NH2+]C3)cc2c1C ZINC000585169372 345008999 /nfs/dbraw/zinc/00/89/99/345008999.db2.gz HYCDLTMMWPTPED-LLVKDONJSA-N 1 0 257.337 2.333 40 0 CEABRO OC[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000090726869 180032573 /nfs/dbraw/zinc/03/25/73/180032573.db2.gz JFGJABRNVYTSPQ-LBPRGKRZSA-N 1 0 259.271 2.433 40 0 CEABRO Cc1c(F)cccc1C[N@H+]1CC[C@@H]2OCCN(C)[C@H]2C1 ZINC000108526165 186220600 /nfs/dbraw/zinc/22/06/00/186220600.db2.gz ANKZCIBCLOIDFW-HOTGVXAUSA-N 1 0 278.371 2.039 40 0 CEABRO C[NH+](C)CCOc1ccc(NC(=O)C(F)(F)F)cc1 ZINC000112826143 186534556 /nfs/dbraw/zinc/53/45/56/186534556.db2.gz RAGOBRJNBOEXCE-UHFFFAOYSA-N 1 0 276.258 2.128 40 0 CEABRO [NH3+]CCS[C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000079392251 363593534 /nfs/dbraw/zinc/59/35/34/363593534.db2.gz YETCXDAUKROERF-ZDUSSCGKSA-N 1 0 280.393 2.089 40 0 CEABRO OCC[N@H+](C1CC1)C1CCN(Cc2ccccc2)CC1 ZINC000079393549 363593641 /nfs/dbraw/zinc/59/36/41/363593641.db2.gz CHFSULRHEGRYOQ-UHFFFAOYSA-N 1 0 274.408 2.108 40 0 CEABRO OCCN1CCC[C@H](C[N@H+](Cc2ccccc2)C2CC2)C1 ZINC000079414416 363597320 /nfs/dbraw/zinc/59/73/20/363597320.db2.gz RJRPCZJXJYIDFV-KRWDZBQOSA-N 1 0 288.435 2.355 40 0 CEABRO CC(C)N(C(=O)[C@H](C)[NH3+])[C@H](C)c1ccc(F)cc1 ZINC000079421295 363598120 /nfs/dbraw/zinc/59/81/20/363598120.db2.gz IZPYLXIIXPOBOB-WDEREUQCSA-N 1 0 252.333 2.471 40 0 CEABRO CC(C)[N@@H+](Cc1ccccc1)C[C@H]1CC[NH+](CC(=O)[O-])C1 ZINC000079416162 363598678 /nfs/dbraw/zinc/59/86/78/363598678.db2.gz OFKWMWSGNPCZEP-INIZCTEOSA-N 1 0 290.407 2.304 40 0 CEABRO CCN(C(=O)OCc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000079437790 363600936 /nfs/dbraw/zinc/60/09/36/363600936.db2.gz WUUMUOQOMQIHRY-CQSZACIVSA-N 1 0 262.353 2.397 40 0 CEABRO CCCCC[NH2+]CC(=O)N1CCC[C@@H]1C(=O)OC(C)(C)C ZINC000001582206 361210126 /nfs/dbraw/zinc/21/01/26/361210126.db2.gz YLXZFHNIGXINEC-CYBMUJFWSA-N 1 0 298.427 2.099 40 0 CEABRO Cc1ccnc(N[C@@H](O)C(Cl)(Cl)Cl)c1 ZINC000001723790 361219566 /nfs/dbraw/zinc/21/95/66/361219566.db2.gz MYVVGGQDTSYSSK-ZETCQYMHSA-N 1 0 255.532 2.491 40 0 CEABRO C[N@@H+]1CCC[C@H](C(=O)NCc2ccc(Cl)cc2)C1 ZINC000082307239 363762804 /nfs/dbraw/zinc/76/28/04/363762804.db2.gz RGLGIXJQHWUFFW-LBPRGKRZSA-N 1 0 266.772 2.298 40 0 CEABRO COc1ccc(-c2ccn(C3CC[NH2+]CC3)n2)cc1 ZINC000012359733 361378804 /nfs/dbraw/zinc/37/88/04/361378804.db2.gz UDZRULSWIGOYMB-UHFFFAOYSA-N 1 0 257.337 2.483 40 0 CEABRO CCC(=O)c1ccc(OC[C@H](O)C[NH2+][C@H](C)CC)cc1 ZINC000016739473 361497216 /nfs/dbraw/zinc/49/72/16/361497216.db2.gz PQRYMHNEEMGICM-TZMCWYRMSA-N 1 0 279.380 2.407 40 0 CEABRO Cc1ccc(C(C)C)c(OC[C@@H](O)C[NH2+]C(C)(C)CO)c1 ZINC000026781233 361644417 /nfs/dbraw/zinc/64/44/17/361644417.db2.gz RRSANQKNFQPKNR-AWEZNQCLSA-N 1 0 295.423 2.219 40 0 CEABRO CNc1nc(N2CCc3ccccc3C2)cc(C)[nH+]1 ZINC000084594351 363815385 /nfs/dbraw/zinc/81/53/85/363815385.db2.gz SHYDXGQTNDXDBP-UHFFFAOYSA-N 1 0 254.337 2.389 40 0 CEABRO CCOC(=N)c1ccccc1C[NH+]1CCC(O)CC1 ZINC000089212562 363949767 /nfs/dbraw/zinc/94/97/67/363949767.db2.gz ISIMSJFXOPZCSM-UHFFFAOYSA-N 1 0 262.353 2.005 40 0 CEABRO Cc1ccc(C[N@H+]2C[C@@H](N(C)C)[C@H]3OCCC[C@H]32)s1 ZINC000096185752 364406688 /nfs/dbraw/zinc/40/66/88/364406688.db2.gz TXQRXFHGXUHKOX-KFWWJZLASA-N 1 0 280.437 2.350 40 0 CEABRO CCO[C@H]1C[N@H+](Cc2ccc(OC)cc2)[C@@H]2CCCO[C@@H]21 ZINC000096057436 364399407 /nfs/dbraw/zinc/39/94/07/364399407.db2.gz DNTCGJJVJNCIIL-IKGGRYGDSA-N 1 0 291.391 2.464 40 0 CEABRO COC[C@H]1CC2(C[N@@H+]1C)CCN(C(=O)C1=CCCC1)CC2 ZINC000096207525 364410586 /nfs/dbraw/zinc/41/05/86/364410586.db2.gz MYKBTKISHQXEPL-OAHLLOKOSA-N 1 0 292.423 2.056 40 0 CEABRO Cc1cnc(N2CC[C@]3(CCC[N@H+]3CC(C)C)C2)nc1 ZINC000096203040 364410793 /nfs/dbraw/zinc/41/07/93/364410793.db2.gz ODOHAVAPOFUHEW-MRXNPFEDSA-N 1 0 274.412 2.486 40 0 CEABRO CCC[N@@H+]1CC[C@]2(C1)CCCN(c1ccc(C)nn1)C2 ZINC000096217092 364413416 /nfs/dbraw/zinc/41/34/16/364413416.db2.gz USTDXZPJMGVJAQ-INIZCTEOSA-N 1 0 274.412 2.487 40 0 CEABRO CCN1C(=O)[C@@H](c2ccccc2)CC12CC[NH+](C)CC2 ZINC000096261146 364418347 /nfs/dbraw/zinc/41/83/47/364418347.db2.gz KRJMBPBPINHUKA-OAHLLOKOSA-N 1 0 272.392 2.487 40 0 CEABRO [NH3+][C@H]1CC[C@H](NC(=O)c2ccccc2Cl)CC1 ZINC000100809621 364550763 /nfs/dbraw/zinc/55/07/63/364550763.db2.gz RLEQUKHWKZGYOP-AOOOYVTPSA-N 1 0 252.745 2.340 40 0 CEABRO CC[C@@H](Oc1ccc(C)cc1)C(=O)NC1CC[NH+](C)CC1 ZINC000113960032 364920419 /nfs/dbraw/zinc/92/04/19/364920419.db2.gz DXJDHXIDCNONSG-MRXNPFEDSA-N 1 0 290.407 2.363 40 0 CEABRO CC[C@@H](Oc1ccccc1)C(=O)NC1CC[NH+](C)CC1 ZINC000113969107 364920997 /nfs/dbraw/zinc/92/09/97/364920997.db2.gz DJNLXIWPTUTYBB-OAHLLOKOSA-N 1 0 276.380 2.054 40 0 CEABRO Cc1ncc(C[N@H+]2CCC[C@@]3(CN(C(C)C)C3=O)C2)s1 ZINC000585099343 367177441 /nfs/dbraw/zinc/17/74/41/367177441.db2.gz GMCPPCJXYPUDSE-HNNXBMFYSA-N 1 0 293.436 2.284 40 0 CEABRO [NH3+][C@H]1CC[C@@H]2CN(C(=O)c3cccc(Cl)c3F)C[C@@H]12 ZINC000186918614 369068674 /nfs/dbraw/zinc/06/86/74/369068674.db2.gz IUGMZAASTARHHW-UISBYWKRSA-N 1 0 282.746 2.288 40 0 CEABRO Cc1ccc([C@H]2[C@@H]([NH3+])[C@@H]2S(=O)(=O)c2ccccc2)cc1 ZINC000218444882 370209587 /nfs/dbraw/zinc/20/95/87/370209587.db2.gz MBUUNKJRMFXISU-ARFHVFGLSA-N 1 0 287.384 2.262 40 0 CEABRO Cc1cccc(NC(=S)NCCC[NH+]2CCCC2)n1 ZINC000225435187 370294162 /nfs/dbraw/zinc/29/41/62/370294162.db2.gz HAYNENDPOLEYJC-UHFFFAOYSA-N 1 0 278.425 2.162 40 0 CEABRO C[C@@H]1CCC[N@H+](CCCNC(=S)Nc2ccncc2)C1 ZINC000225738208 370315257 /nfs/dbraw/zinc/31/52/57/370315257.db2.gz QQRWBQPMADYGAC-CYBMUJFWSA-N 1 0 292.452 2.490 40 0 CEABRO C[NH+](C)CCNC(=O)c1ccc2nc(Cl)sc2c1 ZINC000225975087 370327314 /nfs/dbraw/zinc/32/73/14/370327314.db2.gz LKOWXLQSDUJNBA-UHFFFAOYSA-N 1 0 283.784 2.241 40 0 CEABRO COC[C@H]1CC[N@H+](C)C2(CN(Cc3ccccc3F)C2)C1 ZINC000248155558 371164720 /nfs/dbraw/zinc/16/47/20/371164720.db2.gz VPHZRGLTQKMQEK-AWEZNQCLSA-N 1 0 292.398 2.368 40 0 CEABRO Cc1nccc(N2CC[N@@H+](C)[C@@H](c3ccccc3)C2)n1 ZINC000257256012 371610634 /nfs/dbraw/zinc/61/06/34/371610634.db2.gz KJSLRCOYTLXZPI-OAHLLOKOSA-N 1 0 268.364 2.278 40 0 CEABRO OCCN1CCC[C@H]1c1n[nH]cc1-c1ccccc1F ZINC000257330568 371613283 /nfs/dbraw/zinc/61/32/83/371613283.db2.gz XOYICFBYNDLDDJ-AWEZNQCLSA-N 1 0 275.327 2.345 40 0 CEABRO c1cn2ccc([C@@H]3CCCCN3Cc3cc[nH]n3)nc2n1 ZINC000257313035 371613468 /nfs/dbraw/zinc/61/34/68/371613468.db2.gz UQSZYHWJCKCGDJ-AWEZNQCLSA-N 1 0 282.351 2.180 40 0 CEABRO CNc1nccnc1C[C@@H]1CCCN(c2ccnc(C)n2)C1 ZINC000257339542 371613611 /nfs/dbraw/zinc/61/36/11/371613611.db2.gz ZCEJDJPUTIISBY-ZDUSSCGKSA-N 1 0 298.394 2.076 40 0 CEABRO Cn1cccc1C[NH2+]Cc1cc(C(F)(F)F)nn1C ZINC000256049761 190002502 /nfs/dbraw/zinc/00/25/02/190002502.db2.gz BIUGOJVPZOYAGH-UHFFFAOYSA-N 1 0 272.274 2.067 40 0 CEABRO COc1ccc(C[NH2+]Cc2cnn(CC(F)F)c2)cc1 ZINC000256052412 190004128 /nfs/dbraw/zinc/00/41/28/190004128.db2.gz NDYXPNWIHSUHEL-UHFFFAOYSA-N 1 0 281.306 2.447 40 0 CEABRO CNc1ncccc1C[N@@H+]1CCC[C@@H](Cc2cc[nH]n2)C1 ZINC000257216165 190013727 /nfs/dbraw/zinc/01/37/27/190013727.db2.gz CTKRMWAWFLTGDQ-ZDUSSCGKSA-N 1 0 285.395 2.301 40 0 CEABRO CN(C)Cc1ccnc([C@@H]2CCC[N@@H+]2CC2CC2)n1 ZINC000257228675 190016296 /nfs/dbraw/zinc/01/62/96/190016296.db2.gz FUVAHSUXRXKFDR-AWEZNQCLSA-N 1 0 260.385 2.085 40 0 CEABRO C[NH+](C)Cc1ccnc([C@H]2CCCN2Cc2ccncc2)n1 ZINC000257229396 190016358 /nfs/dbraw/zinc/01/63/58/190016358.db2.gz FXXRZOORRGJHDJ-MRXNPFEDSA-N 1 0 297.406 2.270 40 0 CEABRO C[NH+](C)Cc1ccnc([C@@H]2CCCN2Cc2ccncc2)n1 ZINC000257229395 190016545 /nfs/dbraw/zinc/01/65/45/190016545.db2.gz FXXRZOORRGJHDJ-INIZCTEOSA-N 1 0 297.406 2.270 40 0 CEABRO Cc1c[nH]nc1[C@@H]1CC[N@H+](Cc2ncccc2C)C1 ZINC000257224482 190015251 /nfs/dbraw/zinc/01/52/51/190015251.db2.gz FBZNHWVFLUHMOC-CYBMUJFWSA-N 1 0 256.353 2.411 40 0 CEABRO CNc1cc([C@H]2CCC[N@@H+]2Cc2[nH]cnc2C)ccn1 ZINC000257231990 190017394 /nfs/dbraw/zinc/01/73/94/190017394.db2.gz GIXUGJDOBGBFQL-CQSZACIVSA-N 1 0 271.368 2.492 40 0 CEABRO Cn1ncc2ccc([C@H]3CCC[N@H+](Cc4cc[nH]n4)C3)nc21 ZINC000257266114 190023053 /nfs/dbraw/zinc/02/30/53/190023053.db2.gz MBQFEQQIRXWHKT-ZDUSSCGKSA-N 1 0 296.378 2.071 40 0 CEABRO Cc1c[nH]c([C@@H]2CCC[N@@H+](Cc3cccn3C)C2)n1 ZINC000257257591 190021544 /nfs/dbraw/zinc/02/15/44/190021544.db2.gz KQHRQTRASQKBDO-CYBMUJFWSA-N 1 0 258.369 2.436 40 0 CEABRO CN(c1ccc(F)cc1)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC000257261763 190022406 /nfs/dbraw/zinc/02/24/06/190022406.db2.gz LISAKNAMOAEZEP-CQSZACIVSA-N 1 0 264.344 2.173 40 0 CEABRO Cc1csc(-c2cc(CC3CC[NH2+]CC3)ncn2)n1 ZINC000257268805 190024280 /nfs/dbraw/zinc/02/42/80/190024280.db2.gz MNGQYGBECKLVFN-UHFFFAOYSA-N 1 0 274.393 2.451 40 0 CEABRO Cc1ncc(CN2CC[N@@H+](C)[C@@H](c3ccccc3)C2)cn1 ZINC000257305982 190031455 /nfs/dbraw/zinc/03/14/55/190031455.db2.gz SSIQLVWUAHLEAZ-QGZVFWFLSA-N 1 0 282.391 2.274 40 0 CEABRO CNc1cc([C@@H]2CCC[N@@H+]2CC2CCOCC2)nc(C)n1 ZINC000257288971 190027866 /nfs/dbraw/zinc/02/78/66/190027866.db2.gz PWLYWPSSTHRCJN-HNNXBMFYSA-N 1 0 290.411 2.390 40 0 CEABRO Cn1ccc(C[N@@H+]2CCC[C@H](Cc3ccccn3)C2)n1 ZINC000257306690 190031198 /nfs/dbraw/zinc/03/11/98/190031198.db2.gz SVJOLQPKMZGKKS-CQSZACIVSA-N 1 0 270.380 2.270 40 0 CEABRO COc1ccc([C@H]2C[NH2+]CCN2Cc2cccnc2)cc1 ZINC000257311095 190032199 /nfs/dbraw/zinc/03/21/99/190032199.db2.gz UHXRRWOUOGKQGS-QGZVFWFLSA-N 1 0 283.375 2.237 40 0 CEABRO COc1ccc(C[C@H]2C[N@@H+](C3CCOCC3)CCO2)cc1 ZINC000257311309 190032322 /nfs/dbraw/zinc/03/23/22/190032322.db2.gz UIVXUIDZOJVULO-KRWDZBQOSA-N 1 0 291.391 2.118 40 0 CEABRO Cc1ccnc([C@@H]2CC[N@H+](Cc3cccnc3)C2)n1 ZINC000257318694 190033424 /nfs/dbraw/zinc/03/34/24/190033424.db2.gz VPABUMCZLGLZBY-CQSZACIVSA-N 1 0 254.337 2.170 40 0 CEABRO c1cncc(C[C@@H]2CCC[N@H+](Cc3cnccn3)C2)c1 ZINC000257327384 190034891 /nfs/dbraw/zinc/03/48/91/190034891.db2.gz XBCWHXDTDYGQNR-HNNXBMFYSA-N 1 0 268.364 2.326 40 0 CEABRO c1c[nH]c(C[N@H+]2CCC[C@H]2CCc2ccncc2)n1 ZINC000257326753 190034924 /nfs/dbraw/zinc/03/49/24/190034924.db2.gz WYLVITFBMABDTI-AWEZNQCLSA-N 1 0 256.353 2.402 40 0 CEABRO C[C@H]1CCN(C(=O)OCc2ccccc2)C[C@H]1C[NH3+] ZINC000261508579 190040027 /nfs/dbraw/zinc/04/00/27/190040027.db2.gz UUJPGFKKQIJHNO-GXTWGEPZSA-N 1 0 262.353 2.240 40 0 CEABRO NC(=NC(=O)OCc1ccccc1)c1ccc(C[NH3+])cc1 ZINC000019372700 184534296 /nfs/dbraw/zinc/53/42/96/184534296.db2.gz RELQNVJWEQKPEA-UHFFFAOYSA-N 1 0 283.331 2.397 40 0 CEABRO CCc1cnc(N2CC[C@H]3[C@H]2CC[N@@H+]3CC2CC2)nc1 ZINC000096184400 256814711 /nfs/dbraw/zinc/81/47/11/256814711.db2.gz FEYNJXILYUHJJY-LSDHHAIUSA-N 1 0 272.396 2.102 40 0 CEABRO CCCCOCCC[NH2+]Cc1cnc(SC)nc1 ZINC000062717249 394571118 /nfs/dbraw/zinc/57/11/18/394571118.db2.gz KZNZODKXSCOKAA-UHFFFAOYSA-N 1 0 269.414 2.495 40 0 CEABRO CCCC[NH+](CCCC)CCCNCc1cnc(N)nc1 ZINC000062718379 394571205 /nfs/dbraw/zinc/57/12/05/394571205.db2.gz PEJLEDLYPUTTKN-UHFFFAOYSA-N 1 0 293.459 2.441 40 0 CEABRO CC[C@@H](O)c1cnc(N2CC[NH+](C(C)C)CC2)c(C)c1 ZINC000072222666 394594620 /nfs/dbraw/zinc/59/46/20/394594620.db2.gz XHLZINDWRZCOCH-OAHLLOKOSA-N 1 0 277.412 2.364 40 0 CEABRO CCCC[C@H]([NH2+]C)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000005466491 170102183 /nfs/dbraw/zinc/10/21/83/170102183.db2.gz SDTVAMLVYJOLFX-LBPRGKRZSA-N 1 0 278.352 2.175 40 0 CEABRO CCCCC[NH2+]CC(=O)N1CCC[C@H]1C(=O)OC(C)(C)C ZINC000005496435 170104366 /nfs/dbraw/zinc/10/43/66/170104366.db2.gz YLXZFHNIGXINEC-ZDUSSCGKSA-N 1 0 298.427 2.099 40 0 CEABRO CCOC(=O)c1n[nH]c(C)c1C[C@H]([NH3+])c1ccccc1 ZINC000005502122 170105114 /nfs/dbraw/zinc/10/51/14/170105114.db2.gz YYMJRCDFZQRMSL-ZDUSSCGKSA-N 1 0 273.336 2.137 40 0 CEABRO CC(C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000005522950 170108041 /nfs/dbraw/zinc/10/80/41/170108041.db2.gz YZAPBBDYBRGWOF-UHFFFAOYSA-N 1 0 284.425 2.040 40 0 CEABRO O[C@H](COc1ccccc1F)C[NH+]1CCCCC1 ZINC000006528787 170210923 /nfs/dbraw/zinc/21/09/23/170210923.db2.gz WCYCSMDMPRSGRG-LBPRGKRZSA-N 1 0 253.317 2.051 40 0 CEABRO CC[NH+](CC)C1CCN(C(=O)c2ccnc(NC)c2)CC1 ZINC000019655626 170833236 /nfs/dbraw/zinc/83/32/36/170833236.db2.gz RUGVGZWSYKQNME-UHFFFAOYSA-N 1 0 290.411 2.070 40 0 CEABRO COc1cccc(-c2nnc(C3CC[NH2+]CC3)o2)c1 ZINC000019780359 170861796 /nfs/dbraw/zinc/86/17/96/170861796.db2.gz HXFGBVXFRXENGM-UHFFFAOYSA-N 1 0 259.309 2.212 40 0 CEABRO [NH3+]C1CCN(Cc2cc(Br)cs2)CC1 ZINC000020521410 171234283 /nfs/dbraw/zinc/23/42/83/171234283.db2.gz AKDALOLNNKJSNK-UHFFFAOYSA-N 1 0 275.215 2.434 40 0 CEABRO C[C@@H]([NH2+]CCN(C)C)C(=O)Nc1cccc2ccccc21 ZINC000022584096 171392398 /nfs/dbraw/zinc/39/23/98/171392398.db2.gz UAHYIZDOYKYDDC-CYBMUJFWSA-N 1 0 285.391 2.318 40 0 CEABRO C[C@H]([NH2+]CCN(C)C)C(=O)Nc1cccc2ccccc21 ZINC000022584092 171392421 /nfs/dbraw/zinc/39/24/21/171392421.db2.gz UAHYIZDOYKYDDC-ZDUSSCGKSA-N 1 0 285.391 2.318 40 0 CEABRO [NH3+][C@H]1CCN(Cc2ccc(Br)s2)C1 ZINC000038539034 174145279 /nfs/dbraw/zinc/14/52/79/174145279.db2.gz UTLSGYDDNCNZDO-ZETCQYMHSA-N 1 0 261.188 2.044 40 0 CEABRO [NH3+][C@@H]1CCN(Cc2ccc(Br)s2)C1 ZINC000038539036 174145626 /nfs/dbraw/zinc/14/56/26/174145626.db2.gz UTLSGYDDNCNZDO-SSDOTTSWSA-N 1 0 261.188 2.044 40 0 CEABRO [NH3+]CC1CCN(Cc2ccc(Br)o2)CC1 ZINC000044511981 175188321 /nfs/dbraw/zinc/18/83/21/175188321.db2.gz YPJWIWXUGUFODB-UHFFFAOYSA-N 1 0 273.174 2.213 40 0 CEABRO [NH3+]C[C@@H]1CCCN(Cc2ccc(Br)o2)C1 ZINC000044527844 175192985 /nfs/dbraw/zinc/19/29/85/175192985.db2.gz FGDUELZDKSAMFF-VIFPVBQESA-N 1 0 273.174 2.213 40 0 CEABRO Cc1nc(NCc2cccnc2)cc([C@@H]2CCC[NH2+]C2)n1 ZINC000072364747 176380084 /nfs/dbraw/zinc/38/00/84/176380084.db2.gz RJGNYCCHGKBTFQ-CQSZACIVSA-N 1 0 283.379 2.259 40 0 CEABRO O=C(Nc1cccc(F)c1)c1cnc([C@H]2CCC[NH2+]2)cn1 ZINC000072365600 176380418 /nfs/dbraw/zinc/38/04/18/176380418.db2.gz HWFHDVVJYRLADG-GFCCVEGCSA-N 1 0 286.310 2.293 40 0 CEABRO O=C(Nc1ccccc1F)c1cncc([C@H]2CCC[NH2+]2)n1 ZINC000072365602 176380626 /nfs/dbraw/zinc/38/06/26/176380626.db2.gz OHZKACDZILTWJT-GFCCVEGCSA-N 1 0 286.310 2.293 40 0 CEABRO Cc1cc(=O)oc2cc(OC[C@@H]([NH3+])C(C)C)ccc12 ZINC000072373639 176384845 /nfs/dbraw/zinc/38/48/45/176384845.db2.gz ZAINVRCSTSXOBF-CYBMUJFWSA-N 1 0 261.321 2.464 40 0 CEABRO CC(=O)N1CC[N@@H+](C(C)C)C[C@@H](COc2ccccc2)C1 ZINC000072374466 176385137 /nfs/dbraw/zinc/38/51/37/176385137.db2.gz YVTYUKQOZHZGJD-MRXNPFEDSA-N 1 0 290.407 2.254 40 0 CEABRO Fc1cccc(N2CCOC[C@]3(CCC[NH2+]C3)C2)c1 ZINC000096229338 265337469 /nfs/dbraw/zinc/33/74/69/265337469.db2.gz GUWLOWJKLYNIMI-HNNXBMFYSA-N 1 0 264.344 2.032 40 0 CEABRO CC(C)C[NH+]1CCC2(C[C@H](Nc3ncccn3)CO2)CC1 ZINC000096074256 275571080 /nfs/dbraw/zinc/57/10/80/275571080.db2.gz NIWAHFDGQXWTEH-AWEZNQCLSA-N 1 0 290.411 2.168 40 0 CEABRO CC(C)N1C(=O)C2(CC[NH2+]CC2)c2cccc(F)c21 ZINC000101883399 275623860 /nfs/dbraw/zinc/62/38/60/275623860.db2.gz ZNVAYHLPFWFKQA-UHFFFAOYSA-N 1 0 262.328 2.202 40 0 CEABRO CC(C)(C)OC(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000096958504 278382580 /nfs/dbraw/zinc/38/25/80/278382580.db2.gz HPBKCERYOZOMSM-GFCCVEGCSA-N 1 0 254.374 2.243 40 0 CEABRO CC(C)(C)OC(=O)N1CCC[C@@H](CSCC[NH3+])C1 ZINC000079392243 278389908 /nfs/dbraw/zinc/38/99/08/278389908.db2.gz XSENHVZNOPXVQJ-LLVKDONJSA-N 1 0 274.430 2.325 40 0 CEABRO C[C@@H]1CN(C(=O)c2ccccc2C(F)(F)F)CC[NH2+]1 ZINC000067799667 288048706 /nfs/dbraw/zinc/04/87/06/288048706.db2.gz NSOVCIXUIODRBQ-SECBINFHSA-N 1 0 272.270 2.139 40 0 CEABRO CC(C)N(C(=O)OC(C)(C)C)C1CC[NH+](CCO)CC1 ZINC000079408109 279299733 /nfs/dbraw/zinc/29/97/33/279299733.db2.gz NVJUSGKRTMAKNY-UHFFFAOYSA-N 1 0 286.416 2.089 40 0 CEABRO COc1cc(OC)c([C@@H]2C[C@H]2[C@@H](C)[NH3+])c(OC)c1 ZINC000216250501 327817827 /nfs/dbraw/zinc/81/78/27/327817827.db2.gz DWPAOPGTQTXRQL-DVVUODLYSA-N 1 0 251.326 2.163 40 0 CEABRO C[C@@H](Sc1ccccc1)C(=O)NCCC[NH+](C)C ZINC000013671247 326841284 /nfs/dbraw/zinc/84/12/84/326841284.db2.gz ZPCMNNDRKXNABP-GFCCVEGCSA-N 1 0 266.410 2.235 40 0 CEABRO CNc1cncc(C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)n1 ZINC000257306870 327133727 /nfs/dbraw/zinc/13/37/27/327133727.db2.gz SWIXNKSEQUPSMS-GJZGRUSLSA-N 1 0 290.411 2.001 40 0 CEABRO Cc1noc([C@@H]2C[C@H]3OCC[C@H]3[N@H+](Cc3ccoc3)C2)n1 ZINC000097953407 534467856 /nfs/dbraw/zinc/46/78/56/534467856.db2.gz ULNFMKREJYHTCM-MGPQQGTHSA-N 1 0 289.335 2.118 40 0 CEABRO CC[NH+](CC)CCOc1nccnc1N1CCCCC1 ZINC000255190086 535560089 /nfs/dbraw/zinc/56/00/89/535560089.db2.gz UYCOOARYGWQZHV-UHFFFAOYSA-N 1 0 278.400 2.188 40 0 CEABRO CO[C@H]1CC[C@H]2[C@H]1OCC[N@@H+]2Cc1ccccc1C ZINC000096041936 185070092 /nfs/dbraw/zinc/07/00/92/185070092.db2.gz SMXIZWHURSLCSS-HRCADAONSA-N 1 0 261.365 2.373 40 0 CEABRO CCOC[C@]12CCCO[C@H]1CC[N@H+](CC1CC1)C2 ZINC000096056858 185077820 /nfs/dbraw/zinc/07/78/20/185077820.db2.gz VOVNQHXCLCNOQM-LSDHHAIUSA-N 1 0 253.386 2.304 40 0 CEABRO COC[C@]12CCCO[C@H]1CC[N@H+](Cc1ccco1)C2 ZINC000096056712 185078089 /nfs/dbraw/zinc/07/80/89/185078089.db2.gz MSHWUFSCDKMXQC-LSDHHAIUSA-N 1 0 265.353 2.297 40 0 CEABRO Cn1cnc2c1[C@H](COCC1CC1)C[N@H+](CC1CC1)C2 ZINC000096060250 185079835 /nfs/dbraw/zinc/07/98/35/185079835.db2.gz ISTQBXCUGMWNDR-AWEZNQCLSA-N 1 0 275.396 2.156 40 0 CEABRO Cn1ncc2c1[C@H](COCC1CC1)C[N@H+](CC1CC1)C2 ZINC000096060123 185081342 /nfs/dbraw/zinc/08/13/42/185081342.db2.gz NIRIUKAYSLEWPH-HNNXBMFYSA-N 1 0 275.396 2.156 40 0 CEABRO Cc1ccc(C[N@@H+]2C[C@H]3CN(C(=O)N(C)C)C[C@H]3C2)cc1 ZINC000096088870 185094408 /nfs/dbraw/zinc/09/44/08/185094408.db2.gz ZECKJJGZUMHHEP-IYBDPMFKSA-N 1 0 287.407 2.040 40 0 CEABRO c1ccc(O[C@@H]2CO[C@@]3(CC[N@@H+](C4CCC4)C3)C2)nc1 ZINC000096107668 185099380 /nfs/dbraw/zinc/09/93/80/185099380.db2.gz UDUJFRSEEMIXON-HOCLYGCPSA-N 1 0 274.364 2.246 40 0 CEABRO O[C@H]1CC2(CC[NH2+]CC2)Oc2ccc(Cl)cc21 ZINC000036141239 361831791 /nfs/dbraw/zinc/83/17/91/361831791.db2.gz BPXOPPNLEBNPKB-NSHDSACASA-N 1 0 253.729 2.278 40 0 CEABRO CN1CCC([NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000036878980 361866994 /nfs/dbraw/zinc/86/69/94/361866994.db2.gz DJXKHOADYQLOHC-UHFFFAOYSA-N 1 0 297.443 2.070 40 0 CEABRO O=C(Nc1ccc(Cl)cc1)NC1CC[NH2+]CC1 ZINC000036962405 361874327 /nfs/dbraw/zinc/87/43/27/361874327.db2.gz HOWHIYHMHQTJBJ-UHFFFAOYSA-N 1 0 253.733 2.214 40 0 CEABRO Cc1cc(C)nc(N2CCC[C@H]([NH+]3CCCC3)C2)n1 ZINC000141519656 344401573 /nfs/dbraw/zinc/40/15/73/344401573.db2.gz LZSMXSCJAVHWKY-AWEZNQCLSA-N 1 0 260.385 2.158 40 0 CEABRO Brc1ccc(OC[C@@H]2CCC[NH2+]C2)nc1 ZINC000051883149 362441959 /nfs/dbraw/zinc/44/19/59/362441959.db2.gz DNAGNAGEKNAVEW-SECBINFHSA-N 1 0 271.158 2.223 40 0 CEABRO CC[C@@H](C)c1ccccc1OC[C@H](O)C[NH2+][C@H](CC)CO ZINC000248191882 344621908 /nfs/dbraw/zinc/62/19/08/344621908.db2.gz LSOWXZOSDLPNHO-RBSFLKMASA-N 1 0 295.423 2.300 40 0 CEABRO [NH3+][C@H]1CC[C@@H](CNC(=O)OCc2ccccc2)CC1 ZINC000307097300 344720105 /nfs/dbraw/zinc/72/01/05/344720105.db2.gz PVXLQFDZXGYVIL-XBXGTLAGSA-N 1 0 262.353 2.430 40 0 CEABRO Cc1ccc(-n2ncc(C[NH3+])c2-n2cccc2)cc1 ZINC000409434295 344888928 /nfs/dbraw/zinc/88/89/28/344888928.db2.gz NJWHTXXPKUPKQF-UHFFFAOYSA-N 1 0 252.321 2.430 40 0 CEABRO c1ccn([C@H](c2noc(C3C[NH2+]C3)n2)C2CCCC2)c1 ZINC000409439863 344889799 /nfs/dbraw/zinc/88/97/99/344889799.db2.gz JGNHJEAKQAXYDP-ZDUSSCGKSA-N 1 0 272.352 2.338 40 0 CEABRO CC1CC(C(=O)N2C[C@@H]3CC[N@H+](Cc4cccnc4)[C@@H]3C2)C1 ZINC000585107684 345005665 /nfs/dbraw/zinc/00/56/65/345005665.db2.gz UQKLPGOJGJNQFO-LRSKPHEKSA-N 1 0 299.418 2.160 40 0 CEABRO O=C(CCc1ccccc1F)NCCC[NH+]1CCCC1 ZINC000061548225 362681789 /nfs/dbraw/zinc/68/17/89/362681789.db2.gz PDXRUMSQJWERSQ-UHFFFAOYSA-N 1 0 278.371 2.360 40 0 CEABRO CCCS(=O)(=O)c1ccc(C[NH3+])c2ccccc21 ZINC000085390889 179048041 /nfs/dbraw/zinc/04/80/41/179048041.db2.gz SVJKYDYBPMOWKU-UHFFFAOYSA-N 1 0 263.362 2.482 40 0 CEABRO Fc1ccc(-c2cnc3n2C[C@]2(CC[NH2+]C2)C3)cc1 ZINC000306141823 282969906 /nfs/dbraw/zinc/96/99/06/282969906.db2.gz WHJCOKMKIHABPM-OAHLLOKOSA-N 1 0 257.312 2.225 40 0 CEABRO c1coc(C[N@@H+]2CC[C@@H]3[C@H](CC2)OCCN3CC2CC2)c1 ZINC000107254926 186164351 /nfs/dbraw/zinc/16/43/51/186164351.db2.gz OXKNUNVMFCNJIV-SJORKVTESA-N 1 0 290.407 2.355 40 0 CEABRO COC(=O)c1cccc(NC(=O)[C@@H]2CCC[N@H+](C)C2)c1C ZINC000072865972 363172254 /nfs/dbraw/zinc/17/22/54/363172254.db2.gz XDJNSHRCAFNUPI-GFCCVEGCSA-N 1 0 290.363 2.062 40 0 CEABRO CC(C)N(C[C@H]1CCCCN1CC[NH3+])C(=O)OC(C)(C)C ZINC000079408548 363596039 /nfs/dbraw/zinc/59/60/39/363596039.db2.gz OULGSRVJRAWODE-CQSZACIVSA-N 1 0 299.459 2.445 40 0 CEABRO CCN(Cc1ccccc1OC)C(=O)[C@@H]([NH3+])C(C)C ZINC000079421007 363598996 /nfs/dbraw/zinc/59/89/96/363598996.db2.gz QIXJLCVCHFSXJO-AWEZNQCLSA-N 1 0 264.369 2.027 40 0 CEABRO [NH3+]CC(=O)N(Cc1cccc(C(F)(F)F)c1)C1CC1 ZINC000079420884 363599286 /nfs/dbraw/zinc/59/92/86/363599286.db2.gz HOBJXFNSIKXZJB-UHFFFAOYSA-N 1 0 272.270 2.155 40 0 CEABRO CC(C)[C@H]([NH3+])C(=O)N(C)Cc1nccc2ccccc21 ZINC000079422213 363599519 /nfs/dbraw/zinc/59/95/19/363599519.db2.gz HITSWGOAQZPFBK-HNNXBMFYSA-N 1 0 271.364 2.177 40 0 CEABRO CC[NH+](CC)C[C@H](O)CN1CCCc2ccccc21 ZINC000001729570 361219644 /nfs/dbraw/zinc/21/96/44/361219644.db2.gz ADXIHZMUXKFEIE-HNNXBMFYSA-N 1 0 262.397 2.142 40 0 CEABRO CCn1ccc(C[NH2+]CCc2ccc(OC)c(OC)c2)n1 ZINC000002536466 361239870 /nfs/dbraw/zinc/23/98/70/361239870.db2.gz GRMRZYFEHNUOMZ-UHFFFAOYSA-N 1 0 289.379 2.253 40 0 CEABRO O=C(CSC1=[NH+]CCN1)c1ccc(Br)cc1 ZINC000003160654 361265949 /nfs/dbraw/zinc/26/59/49/361265949.db2.gz YZZWNWNOEIYYGT-UHFFFAOYSA-N 1 0 299.193 2.324 40 0 CEABRO COc1cccc(C(=O)c2ccc(N3CC[NH2+]CC3)cc2)c1 ZINC000004245558 361307603 /nfs/dbraw/zinc/30/76/03/361307603.db2.gz GINCVFLLHINUIJ-UHFFFAOYSA-N 1 0 296.370 2.336 40 0 CEABRO CCOC(=O)[C@](C)([NH3+])[C@@H]1CCc2cc(OC)ccc2C1 ZINC000082048698 363750504 /nfs/dbraw/zinc/75/05/04/363750504.db2.gz RQIMIRAUSRNRCE-CZUORRHYSA-N 1 0 277.364 2.081 40 0 CEABRO O=C1c2ccccc2C(=O)N1[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000005648216 361333885 /nfs/dbraw/zinc/33/38/85/361333885.db2.gz KNEGFGGZBIDYHX-LSDHHAIUSA-N 1 0 284.359 2.300 40 0 CEABRO c1[nH]c2ccccc2c1[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000019369257 361528631 /nfs/dbraw/zinc/52/86/31/361528631.db2.gz JMFQVIVSVILMKK-OAHLLOKOSA-N 1 0 299.418 2.289 40 0 in-vitro CEABRO COc1ccccc1CN1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000019575162 361544069 /nfs/dbraw/zinc/54/40/69/361544069.db2.gz KCENCVINDMTRRT-UKRRQHHQSA-N 1 0 260.381 2.364 40 0 CEABRO CN(C)c1ncccc1CN1CCC([NH+]2CCCC2)CC1 ZINC000019656117 361546985 /nfs/dbraw/zinc/54/69/85/361546985.db2.gz NGZAGJGWDRHIPA-UHFFFAOYSA-N 1 0 288.439 2.208 40 0 CEABRO FC(F)(F)Oc1ccc(CN2CCC[NH2+]CC2)cc1 ZINC000019394742 361531154 /nfs/dbraw/zinc/53/11/54/361531154.db2.gz PSMIFFHHAMEILD-UHFFFAOYSA-N 1 0 274.286 2.381 40 0 CEABRO CC[C@H](Oc1ccccc1C)C(=O)NCCC[NH+](C)C ZINC000020041474 361574178 /nfs/dbraw/zinc/57/41/78/361574178.db2.gz NDBAGUJXJCUTLW-AWEZNQCLSA-N 1 0 278.396 2.220 40 0 CEABRO Cc1cc(OC[C@H](O)C[NH2+]C(C)(C)CO)ccc1C(C)C ZINC000026781238 361644769 /nfs/dbraw/zinc/64/47/69/361644769.db2.gz WWSJSJJFPVYVNE-CQSZACIVSA-N 1 0 295.423 2.219 40 0 CEABRO O[C@@]12CCCCC[C@]1([NH+]1CCOCC1)c1ccccc12 ZINC000031851975 361720861 /nfs/dbraw/zinc/72/08/61/361720861.db2.gz AWVQMXZKIOHRCJ-DLBZAZTESA-N 1 0 273.376 2.379 40 0 CEABRO CC[C@@H](C)[N@H+]1C[C@H]2CN(Cc3cccnc3)C[C@H]2C1 ZINC000096161502 364403566 /nfs/dbraw/zinc/40/35/66/364403566.db2.gz ZSHXRWJNOGVFSR-BMFZPTHFSA-N 1 0 259.397 2.244 40 0 CEABRO Cc1cccc(C[NH2+]C2CCC3(CCC(=O)N3)CC2)n1 ZINC000096228517 364413932 /nfs/dbraw/zinc/41/39/32/364413932.db2.gz LOORCGQMSTZWHV-UHFFFAOYSA-N 1 0 273.380 2.071 40 0 CEABRO c1cc(-c2ncnc3c2CC[N@H+](C[C@@H]2CCOC2)CC3)co1 ZINC000096255178 364418912 /nfs/dbraw/zinc/41/89/12/364418912.db2.gz QXVWLJBKJFVSPH-ZDUSSCGKSA-N 1 0 299.374 2.174 40 0 CEABRO CC(C)(C)OC(=O)NC[C@@H]1CC[NH2+]C[C@@H]1C(F)(F)F ZINC000199714875 189683369 /nfs/dbraw/zinc/68/33/69/189683369.db2.gz DSVLUHRWMIGJHS-IUCAKERBSA-N 1 0 282.306 2.299 40 0 CEABRO O=C1CC[C@]2(CCC[N@H+](CC3CC3)CC2)N1CCF ZINC000585100201 367178252 /nfs/dbraw/zinc/17/82/52/367178252.db2.gz HMPQQWDIIUADDI-HNNXBMFYSA-N 1 0 268.376 2.213 40 0 CEABRO [NH3+]C[C@@H]1[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218037958 370204566 /nfs/dbraw/zinc/20/45/66/370204566.db2.gz KXEHYTCGVACPOM-OWCLPIDISA-N 1 0 287.384 2.201 40 0 CEABRO Cn1nccc1-c1ccc(CC2CC[NH+](C)CC2)cn1 ZINC000257330917 371612853 /nfs/dbraw/zinc/61/28/53/371612853.db2.gz XQPJVDYCZHTQHS-UHFFFAOYSA-N 1 0 270.380 2.366 40 0 CEABRO C[N@H+](CC1CCOCC1)[C@@H]1CCCN(c2ccccn2)C1 ZINC000257319554 371613710 /nfs/dbraw/zinc/61/37/10/371613710.db2.gz VSZPZYAXLFDEQB-MRXNPFEDSA-N 1 0 289.423 2.409 40 0 CEABRO Fc1ccc(OCC[N@@H+]2CC[C@@H](c3cc[nH]n3)C2)cc1 ZINC000257215228 190012998 /nfs/dbraw/zinc/01/29/98/190012998.db2.gz CPFBIBJORCNXFG-GFCCVEGCSA-N 1 0 275.327 2.417 40 0 CEABRO c1cc(NC2CCCC2)nnc1C[C@H]1CCC[NH2+]C1 ZINC000257214123 190013299 /nfs/dbraw/zinc/01/32/99/190013299.db2.gz CKQLEWUCQLJDGM-GFCCVEGCSA-N 1 0 260.385 2.373 40 0 CEABRO CC(C)n1nccc1C(=O)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000257224894 190015365 /nfs/dbraw/zinc/01/53/65/190015365.db2.gz FDVXSXRAXSAMNH-INIZCTEOSA-N 1 0 298.390 2.251 40 0 CEABRO Cc1nc(NC[C@@]2(C)CCCO2)cc(C2CC[NH2+]CC2)n1 ZINC000257224459 190015732 /nfs/dbraw/zinc/01/57/32/190015732.db2.gz FBXUAKNDSYEGRS-MRXNPFEDSA-N 1 0 290.411 2.233 40 0 CEABRO CCn1cc(-c2cnc(C[C@H]3CCC[N@H+](C)C3)cn2)cn1 ZINC000257247668 190019082 /nfs/dbraw/zinc/01/90/82/190019082.db2.gz IZZUGRJQXOCHFJ-CYBMUJFWSA-N 1 0 285.395 2.244 40 0 CEABRO Cc1cc(-c2ccnn2C)nc([C@@H]2CCCC[NH2+]2)n1 ZINC000257249105 190019806 /nfs/dbraw/zinc/01/98/06/190019806.db2.gz JGVOFZUOTVQZRF-NSHDSACASA-N 1 0 257.341 2.000 40 0 CEABRO CCn1cc(C[N@@H+]2CCC[C@@H](c3nc(C)c[nH]3)C2)cn1 ZINC000257251165 190019959 /nfs/dbraw/zinc/01/99/59/190019959.db2.gz JPRYTVGHTSREFD-CQSZACIVSA-N 1 0 273.384 2.314 40 0 CEABRO Cc1ccc(-c2cc(C[C@]3(C(N)=O)CCC[NH2+]C3)on2)cc1 ZINC000257248780 190020246 /nfs/dbraw/zinc/02/02/46/190020246.db2.gz JFDURRUWLDAWEJ-QGZVFWFLSA-N 1 0 299.374 2.048 40 0 CEABRO O=C(c1ccc(F)cc1)N1C[C@@H]2CCCC[NH2+][C@@H]2C1 ZINC000257251220 190020372 /nfs/dbraw/zinc/02/03/72/190020372.db2.gz JPXQDHMOPKXSHD-GXTWGEPZSA-N 1 0 262.328 2.040 40 0 CEABRO CC(C)n1nccc1-c1nccnc1C[C@H]1CC[NH2+]C1 ZINC000257249620 190020401 /nfs/dbraw/zinc/02/04/01/190020401.db2.gz JJCGMSRIJVNDJQ-GFCCVEGCSA-N 1 0 271.368 2.073 40 0 CEABRO Cc1cncc([C@@H]2CCC[N@H+](Cc3ccnc(C)n3)C2)n1 ZINC000257256825 190021768 /nfs/dbraw/zinc/02/17/68/190021768.db2.gz KNBBPCJWXXZFPY-CQSZACIVSA-N 1 0 283.379 2.263 40 0 CEABRO CCCn1nccc1-c1cnc(C[C@@H]2CCC[NH2+]C2)cn1 ZINC000257261912 190022004 /nfs/dbraw/zinc/02/20/04/190022004.db2.gz LJHASPPOZJYITH-ZDUSSCGKSA-N 1 0 285.395 2.292 40 0 CEABRO Fc1ccc(Nc2ncc(F)c(C[C@@H]3CC[NH2+]C3)n2)nc1 ZINC000257283675 190026046 /nfs/dbraw/zinc/02/60/46/190026046.db2.gz OZHZIBGCKUCVCR-VIFPVBQESA-N 1 0 291.305 2.045 40 0 CEABRO CNc1nccnc1C[C@H]1CCC[N@H+](Cc2ccncc2)C1 ZINC000257274538 190025127 /nfs/dbraw/zinc/02/51/27/190025127.db2.gz NLMJIQNKBMDFAG-OAHLLOKOSA-N 1 0 297.406 2.368 40 0 CEABRO Cc1nc(Nc2cnccn2)cc([C@@H]2CCCC[NH2+]2)n1 ZINC000257294380 190028676 /nfs/dbraw/zinc/02/86/76/190028676.db2.gz QTVSAGLRTCJAOI-NSHDSACASA-N 1 0 270.340 2.133 40 0 CEABRO CC(C)CN1c2ccc(F)cc2[C@@H]2C[N@@H+](CCO)CC[C@@H]21 ZINC000096251727 256834739 /nfs/dbraw/zinc/83/47/39/256834739.db2.gz UOOAFRRCHJKSJF-RDJZCZTQSA-N 1 0 292.398 2.452 40 0 CEABRO CCN1C(C)=N[C@@]2(CC[C@@H]3C[N@H+](CC(C)C)C[C@@H]32)C1=O ZINC000096261446 256837826 /nfs/dbraw/zinc/83/78/26/256837826.db2.gz RVACJRHSNDUTQL-IJEWVQPXSA-N 1 0 277.412 2.004 40 0 CEABRO CC(C)(C)OC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C(F)(F)F ZINC000217681857 394455367 /nfs/dbraw/zinc/45/53/67/394455367.db2.gz YKEJWMDJHSNPAU-JGVFFNPUSA-N 1 0 268.279 2.052 40 0 CEABRO CC(C)[N@@H+]1C[C@H]2Cc3nc(NCC4CC4)ncc3[C@H]2C1 ZINC000306144975 394513860 /nfs/dbraw/zinc/51/38/60/394513860.db2.gz ZTUHRCQNILDEKU-OCCSQVGLSA-N 1 0 272.396 2.278 40 0 CEABRO CCN(CC)[C@H](C[NH3+])c1c(OC)cc(OC)cc1OC ZINC000036961675 394496054 /nfs/dbraw/zinc/49/60/54/394496054.db2.gz LQVFRKXKTKPBPZ-GFCCVEGCSA-N 1 0 282.384 2.054 40 0 CEABRO Cc1nc(N2CCOCC2)ccc1C1=[NH+]CCCC1 ZINC000072219636 394594435 /nfs/dbraw/zinc/59/44/35/394594435.db2.gz CSXYVDLLEPUVDO-UHFFFAOYSA-N 1 0 259.353 2.200 40 0 CEABRO Fc1ccc(C[N@@H+]2CC[C@@]23CCN(c2ncccn2)C3)cc1 ZINC000096076080 394676092 /nfs/dbraw/zinc/67/60/92/394676092.db2.gz UIEDIYBXDGIJKB-QGZVFWFLSA-N 1 0 298.365 2.471 40 0 CEABRO [NH3+]C[C@@H](c1cncc(Br)c1)N1CCCCC1 ZINC000096511149 394694074 /nfs/dbraw/zinc/69/40/74/394694074.db2.gz BHZIBFYFRQTFDJ-LBPRGKRZSA-N 1 0 284.201 2.330 40 0 CEABRO CC[C@@H]([C@@H]([NH3+])c1cccc(Cl)c1)S(C)(=O)=O ZINC000096524865 394697405 /nfs/dbraw/zinc/69/74/05/394697405.db2.gz JCTBSICHYIMVTC-QWRGUYRKSA-N 1 0 261.774 2.163 40 0 CEABRO C[N@@H+]1CCC[C@@H](C(=O)N2CCCc3ccccc32)C1 ZINC000078578581 400244493 /nfs/dbraw/zinc/24/44/93/400244493.db2.gz UWAWCIPZQWWYAG-CQSZACIVSA-N 1 0 258.365 2.308 40 0 CEABRO CCCC[N@H+](CCOc1ccnc(=O)[nH]1)CC(C)C ZINC000005423950 170097522 /nfs/dbraw/zinc/09/75/22/170097522.db2.gz JAJDYYSPRUNZBY-UHFFFAOYSA-N 1 0 267.373 2.319 40 0 CEABRO CC1(C)[C@@H]2C[C@H]1C(COC[C@H](O)C[NH2+]C1CC1)=CC2 ZINC000006605130 170218527 /nfs/dbraw/zinc/21/85/27/170218527.db2.gz ZRWVUMQBQUVBRH-CFVMTHIKSA-N 1 0 265.397 2.108 40 0 CEABRO COc1cccc(C(=O)Nc2ccc(C[NH3+])cc2)c1 ZINC000020224332 171086481 /nfs/dbraw/zinc/08/64/81/171086481.db2.gz KMQVWDSJGOZNEG-UHFFFAOYSA-N 1 0 256.305 2.406 40 0 CEABRO [NH3+]Cc1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1 ZINC000020224349 171086643 /nfs/dbraw/zinc/08/66/43/171086643.db2.gz MRBUAVVFZMHWDX-UHFFFAOYSA-N 1 0 270.288 2.126 40 0 CEABRO COc1cccc([C@H](C[NH3+])N2CCC[C@@H](C)C2)c1OC ZINC000022165039 171365395 /nfs/dbraw/zinc/36/53/95/171365395.db2.gz IBVVTNVBRHXFIS-OCCSQVGLSA-N 1 0 278.396 2.436 40 0 CEABRO C[C@H]1CN(C(=O)c2cccc3ccccc32)CC[NH2+]1 ZINC000071978908 176307787 /nfs/dbraw/zinc/30/77/87/176307787.db2.gz FAFCZJZTCYVZBJ-LBPRGKRZSA-N 1 0 254.333 2.274 40 0 CEABRO C[C@H]1C[NH2+]CC[C@H]1n1nc(-c2cccs2)ccc1=O ZINC000072335408 176370839 /nfs/dbraw/zinc/37/08/39/176370839.db2.gz HICRWPJDNBZEJP-CMPLNLGQSA-N 1 0 275.377 2.142 40 0 CEABRO Fc1cccc(OCCc2cc([C@H]3CC[NH2+]C3)[nH]n2)c1 ZINC000072374092 176385133 /nfs/dbraw/zinc/38/51/33/176385133.db2.gz IFOOVNJOPKYTPR-NSHDSACASA-N 1 0 275.327 2.247 40 0 CEABRO C[N@@H+]1CCCC[C@H]1c1ccnc(Nc2cncnc2)n1 ZINC000072377393 176385827 /nfs/dbraw/zinc/38/58/27/176385827.db2.gz ZYRHFHJPZBBVEP-ZDUSSCGKSA-N 1 0 270.340 2.167 40 0 CEABRO Cn1c(C[N@@H+]2CC[C@@H](c3cc[nH]n3)C2)nc2ccccc21 ZINC000072385300 176390039 /nfs/dbraw/zinc/39/00/39/176390039.db2.gz JIFMVJWGZCNXFY-GFCCVEGCSA-N 1 0 281.363 2.286 40 0 CEABRO CCN(Cc1ccc(SC)cc1)C(=O)[C@H](C)[NH3+] ZINC000079420544 177487534 /nfs/dbraw/zinc/48/75/34/177487534.db2.gz GOEOUHXNGJTETI-JTQLQIEISA-N 1 0 252.383 2.104 40 0 CEABRO Brc1ccc2c(c1)snc2N1CC[NH2+]CC1 ZINC000309360626 273475025 /nfs/dbraw/zinc/47/50/25/273475025.db2.gz KYUAWDDFPQTJGE-UHFFFAOYSA-N 1 0 298.209 2.468 40 0 CEABRO O=S1(=O)c2ccc(-c3ccsc3)cc2[C@H]2C[NH2+]C[C@@H]21 ZINC000306143099 275032692 /nfs/dbraw/zinc/03/26/92/275032692.db2.gz XTHKFOQQZHVBNJ-OCCSQVGLSA-N 1 0 291.397 2.258 40 0 CEABRO OCCN1CC2(CC[NH+](CC3CC3)CC2)c2ccccc21 ZINC000096078833 275046767 /nfs/dbraw/zinc/04/67/67/275046767.db2.gz FJZQWOFCNIYRTL-UHFFFAOYSA-N 1 0 286.419 2.243 40 0 CEABRO COc1cc2c(cc1OC)[C@@H]1CC[N@@H+]3CCC[C@@H]3N1CC2 ZINC000019326989 277394674 /nfs/dbraw/zinc/39/46/74/277394674.db2.gz JBLQTGBNLYFHRP-YOEHRIQHSA-N 1 0 288.391 2.429 40 0 CEABRO CC[NH+](CC)C[C@@H]1CN(Cc2cccnc2)Cc2cncn21 ZINC000306123961 279125782 /nfs/dbraw/zinc/12/57/82/279125782.db2.gz BBINDFYVDVZQBQ-QGZVFWFLSA-N 1 0 299.422 2.177 40 0 CEABRO C[C@H](CCN1C[C@H]2C[C@@H](O)C[N@@H+]2C[C@@H]1C)c1ccccc1 ZINC000036718962 279264898 /nfs/dbraw/zinc/26/48/98/279264898.db2.gz OQWLLWPCXDAZNO-CYGHRXIMSA-N 1 0 288.435 2.320 40 0 CEABRO CC(C)(C)OC(=O)N[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000095876170 327203302 /nfs/dbraw/zinc/20/33/02/327203302.db2.gz ZRGNCGMVKKCVGY-FZMZJTMJSA-N 1 0 254.374 2.433 40 0 CEABRO CCOc1ccc(-c2nnc([C@H](C)[NH3+])[nH]2)cc1OCC ZINC000095534689 185006913 /nfs/dbraw/zinc/00/69/13/185006913.db2.gz VJMHQRDOAUQTBF-VIFPVBQESA-N 1 0 276.340 2.289 40 0 CEABRO COc1ccc(-c2nnc([C@@H]([NH3+])C(C)C)[nH]2)cc1OC ZINC000095534770 185008613 /nfs/dbraw/zinc/00/86/13/185008613.db2.gz PUFOZBXKMPUDOR-LBPRGKRZSA-N 1 0 276.340 2.145 40 0 CEABRO Cc1noc(C)c1C[N@@H+]1CC[C@H]2O[C@@H](C)C[C@H]2C1 ZINC000096043549 185069911 /nfs/dbraw/zinc/06/99/11/185069911.db2.gz AQVBUYGXXJKITB-DUFXMDAXSA-N 1 0 250.342 2.291 40 0 CEABRO CCO[C@@H]1C[N@H+](Cc2scnc2C)[C@@H]2CCCO[C@H]12 ZINC000096042348 185069967 /nfs/dbraw/zinc/06/99/67/185069967.db2.gz MATZKZKNIXWPCL-BZPMIXESSA-N 1 0 282.409 2.220 40 0 CEABRO Cc1noc([C@@H]2C[C@H]3C[N@H+](Cc4cccs4)C[C@H]3O2)n1 ZINC000096045788 185071090 /nfs/dbraw/zinc/07/10/90/185071090.db2.gz LUXGFLJXQLDFFI-WCFLWFBJSA-N 1 0 291.376 2.402 40 0 CEABRO Cn1cc([C@@H]2COC3(C2)CC[NH+](CC2CC2)CC3)cn1 ZINC000096047807 185072746 /nfs/dbraw/zinc/07/27/46/185072746.db2.gz QVPZWGPJBMEZTG-AWEZNQCLSA-N 1 0 275.396 2.169 40 0 CEABRO CC[N@@H+]1CCOC[C@]2(CCCN(Cc3cccnc3)C2)C1 ZINC000096049599 185072886 /nfs/dbraw/zinc/07/28/86/185072886.db2.gz WSZUPJUTBFKXLZ-QGZVFWFLSA-N 1 0 289.423 2.016 40 0 CEABRO [NH3+]C1CCN(Cc2ccccc2Br)CC1 ZINC000034958687 361800288 /nfs/dbraw/zinc/80/02/88/361800288.db2.gz PEQMHDKZUYUOIQ-UHFFFAOYSA-N 1 0 269.186 2.372 40 0 CEABRO CC(C)N1CCO[C@H]2C[N@H+](Cc3ccsc3)C[C@H]21 ZINC000096054276 185076026 /nfs/dbraw/zinc/07/60/26/185076026.db2.gz AXPOYMYXGBOMCC-KGLIPLIRSA-N 1 0 266.410 2.042 40 0 CEABRO Fc1cccc(O[C@H]2C[C@@H]3C[N@H+](CC4CC4)CCN3C2)c1 ZINC000096055156 185076420 /nfs/dbraw/zinc/07/64/20/185076420.db2.gz NJDAHRFTRCEKOQ-WBVHZDCISA-N 1 0 290.382 2.373 40 0 CEABRO C(OC[C@H]1CC[C@@H]2[C@@H](CC[N@@H+]2CC2CC2)O1)C1CC1 ZINC000096056419 185077292 /nfs/dbraw/zinc/07/72/92/185077292.db2.gz ZWGLWVYXBLRTQJ-BZUAXINKSA-N 1 0 265.397 2.445 40 0 CEABRO COC[C@@]12CCCO[C@@H]1CC[N@H+](Cc1ccccn1)C2 ZINC000096056719 185077368 /nfs/dbraw/zinc/07/73/68/185077368.db2.gz YLSCRXPAZCUAOA-CVEARBPZSA-N 1 0 276.380 2.099 40 0 CEABRO Cn1ncc2c1[C@@H](COCC1CC1)C[N@H+](CC1CC1)C2 ZINC000096060122 185080430 /nfs/dbraw/zinc/08/04/30/185080430.db2.gz NIRIUKAYSLEWPH-OAHLLOKOSA-N 1 0 275.396 2.156 40 0 CEABRO O=C(c1ccco1)N1CC2(C1)CC[N@H+](Cc1ccncc1)C2 ZINC000096070832 185086526 /nfs/dbraw/zinc/08/65/26/185086526.db2.gz JTGUYVYFAVCQCT-UHFFFAOYSA-N 1 0 297.358 2.023 40 0 CEABRO Cc1cccc(C[N@@H+]2CC[C@@]3(CCN3c3ncccn3)C2)n1 ZINC000096076134 185089017 /nfs/dbraw/zinc/08/90/17/185089017.db2.gz VSMXCCSJYCVVIY-QGZVFWFLSA-N 1 0 295.390 2.035 40 0 CEABRO CC[N@@H+]1CCOC[C@]2(CCCN(Cc3nccs3)C2)C1 ZINC000096076493 185089655 /nfs/dbraw/zinc/08/96/55/185089655.db2.gz CGUCYLYYQCJWEC-OAHLLOKOSA-N 1 0 295.452 2.077 40 0 CEABRO OC[C@H]1CCC[N@@H+]1Cc1ccc2cc(F)ccc2n1 ZINC000096836635 185115782 /nfs/dbraw/zinc/11/57/82/185115782.db2.gz DXORDVFADAXAKL-CQSZACIVSA-N 1 0 260.312 2.331 40 0 CEABRO C[NH+](C)[C@@H]1CN(Cc2ccsc2)[C@@H]2CCCO[C@H]12 ZINC000096056317 282227735 /nfs/dbraw/zinc/22/77/35/282227735.db2.gz YQUIMXMURRLTCB-MCIONIFRSA-N 1 0 266.410 2.042 40 0 CEABRO [NH3+]C1CCN(c2nc3ccccc3nc2NC2CC2)CC1 ZINC000044029866 362149884 /nfs/dbraw/zinc/14/98/84/362149884.db2.gz QHWFKZSUOJBFQQ-UHFFFAOYSA-N 1 0 283.379 2.132 40 0 CEABRO CCC(=O)Nc1cc(N2CC[NH+](C)CC2)c(N)cc1Cl ZINC000045891731 362169656 /nfs/dbraw/zinc/16/96/56/362169656.db2.gz PNFXBTPERUQWHP-UHFFFAOYSA-N 1 0 296.802 2.023 40 0 CEABRO COc1cccc(C[N@@H+]2CC[C@H](c3nnc(C)o3)C2)c1 ZINC000049169217 362342450 /nfs/dbraw/zinc/34/24/50/362342450.db2.gz AAZNFJYSYZUSEN-ZDUSSCGKSA-N 1 0 273.336 2.376 40 0 biogenic,in-vitro CEABRO C[C@@]1(NC(=O)OCc2ccccc2)CCC[NH2+]CC1 ZINC000110916062 344270259 /nfs/dbraw/zinc/27/02/59/344270259.db2.gz RLOZCRZXZCCVMW-OAHLLOKOSA-N 1 0 262.353 2.445 40 0 CEABRO CCOC(=O)[C@@H](CN)[C@]1([NH+](C)C)C[C@@H]2CC[C@@]1(C)C2(C)C ZINC000216351408 344534892 /nfs/dbraw/zinc/53/48/92/344534892.db2.gz 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/nfs/dbraw/zinc/59/44/69/363594469.db2.gz HDYFYZOEHXYRNR-KRWDZBQOSA-N 1 0 274.408 2.108 40 0 CEABRO C[N@H+](Cc1ccccc1)C1CCC([NH2+]CC(=O)[O-])CC1 ZINC000079416046 363598310 /nfs/dbraw/zinc/59/83/10/363598310.db2.gz RWTUSEAGUBNKIB-UHFFFAOYSA-N 1 0 276.380 2.104 40 0 CEABRO CC(C)[NH2+][C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000079437209 363600772 /nfs/dbraw/zinc/60/07/72/363600772.db2.gz QJXGPAHGAGNFQY-CQSZACIVSA-N 1 0 262.353 2.396 40 0 CEABRO [NH3+][C@@H]1CCCN(c2nc3ccccc3nc2Cl)C1 ZINC000040434368 283567751 /nfs/dbraw/zinc/56/77/51/283567751.db2.gz YJEIZIFIQGKNOG-SECBINFHSA-N 1 0 262.744 2.211 40 0 CEABRO CC(=O)O[C@H]1CC[N@@H+](Cc2ccco2)[C@@H](C)[C@H]1C ZINC000000111486 361130265 /nfs/dbraw/zinc/13/02/65/361130265.db2.gz HAVUOHMCCLLASZ-SUNKGSAMSA-N 1 0 251.326 2.442 40 0 CEABRO Cc1cc(=O)oc2cc(NC(=O)[C@H]([NH3+])CC(C)C)ccc12 ZINC000000056782 361122414 /nfs/dbraw/zinc/12/24/14/361122414.db2.gz GTAAIHRZANUVJS-CYBMUJFWSA-N 1 0 288.347 2.413 40 0 CEABRO COc1ccc(CC[NH2+][C@@H]2CCCC[C@H]2O)cc1OC 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ZINC000019861940 361563283 /nfs/dbraw/zinc/56/32/83/361563283.db2.gz BXAAYLWVMFJKKN-GFCCVEGCSA-N 1 0 275.179 2.325 40 0 CEABRO COCCn1cc(C[N@@H+]2CC[C@@H](CO)C2)c2ccccc21 ZINC000019594206 361545319 /nfs/dbraw/zinc/54/53/19/361545319.db2.gz UOFACYKJPDPFLY-CQSZACIVSA-N 1 0 288.391 2.102 40 0 CEABRO CC[NH+](CC)CCNCc1cccc(OC)c1OC ZINC000019919616 361567852 /nfs/dbraw/zinc/56/78/52/361567852.db2.gz FWBVSBIJUMLBGP-UHFFFAOYSA-N 1 0 266.385 2.135 40 0 CEABRO C1=C[C@H]2C[C@@H]1C[C@H]2C[NH+]1CCN(Cc2ccncc2)CC1 ZINC000019405267 361530423 /nfs/dbraw/zinc/53/04/23/361530423.db2.gz PRYFOBKVCOFJMK-SQNIBIBYSA-N 1 0 283.419 2.411 40 0 CEABRO CC(C)(C)OC(=O)N[C@@H]([C@H]1CC[NH2+]C1)C(F)(F)F ZINC000089223418 363949569 /nfs/dbraw/zinc/94/95/69/363949569.db2.gz IKAZWGHCNUXXGK-YUMQZZPRSA-N 1 0 268.279 2.052 40 0 CEABRO C[N@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2CN(C(N)=O)C[C@@H]21 ZINC000096183126 364407726 /nfs/dbraw/zinc/40/77/26/364407726.db2.gz UERJJLIMCJTDDG-KWCYVHTRSA-N 1 0 293.436 2.359 40 0 CEABRO Cc1nc(COC[C@@H]2CCC[C@@]23C[N@H+](C)CCO3)cs1 ZINC000096160004 364403481 /nfs/dbraw/zinc/40/34/81/364403481.db2.gz DWYMUJSKBPNCGW-DZGCQCFKSA-N 1 0 296.436 2.469 40 0 CEABRO Cc1ccc(C[N@H+]2C[C@H]3CN(c4ncccn4)C[C@H]3C2)cc1 ZINC000096161724 364404005 /nfs/dbraw/zinc/40/40/05/364404005.db2.gz QREJTKFEEONQDS-CALCHBBNSA-N 1 0 294.402 2.353 40 0 CEABRO CN1CC[C@]2(C[N@H+](CC3CC3)C[C@H]2c2ccccc2)C1=O ZINC000096201861 364410281 /nfs/dbraw/zinc/41/02/81/364410281.db2.gz CDVRPSSPPXWEOQ-FUHWJXTLSA-N 1 0 284.403 2.344 40 0 CEABRO CC(=O)N1CCC2(CC[N@H+](Cc3ccoc3)C2)CC1 ZINC000096268709 364420589 /nfs/dbraw/zinc/42/05/89/364420589.db2.gz PPEBFYQTVTWXLS-UHFFFAOYSA-N 1 0 262.353 2.114 40 0 CEABRO CO[C@@H]1CC[C@H]2[C@H]1OCCN2Cc1ccc(F)c(F)c1 ZINC000097953690 364520815 /nfs/dbraw/zinc/52/08/15/364520815.db2.gz POQSNJIZVSBNQD-RRFJBIMHSA-N 1 0 283.318 2.343 40 0 CEABRO CC(C)(C)OC(=O)N(C1CC1)[C@H]1CC[C@H]([NH2+]CCO)CC1 ZINC000100178429 364540982 /nfs/dbraw/zinc/54/09/82/364540982.db2.gz UIMUSTUGVZRPQE-BETUJISGSA-N 1 0 298.427 2.279 40 0 CEABRO [NH3+][C@H]1CC[C@H](NC(=O)c2cccc(Cl)c2)CC1 ZINC000100809614 364550736 /nfs/dbraw/zinc/55/07/36/364550736.db2.gz KUSVIPMKCAQOPF-TXEJJXNPSA-N 1 0 252.745 2.340 40 0 CEABRO c1cc2n(c1)C[C@@H](CCNc1ccccn1)C[NH2+]C2 ZINC000585095296 367177898 /nfs/dbraw/zinc/17/78/98/367177898.db2.gz OJHHPKFPSNSJEL-ZDUSSCGKSA-N 1 0 256.353 2.105 40 0 CEABRO CCC[C@@H](C)[N@@H+]1CCC[C@@]2(CN(c3ncccn3)C2=O)C1 ZINC000585099696 367178069 /nfs/dbraw/zinc/17/80/69/367178069.db2.gz YMCUZPKWOHVKKM-CJNGLKHVSA-N 1 0 288.395 2.094 40 0 CEABRO CC[C@@H](C)[N@@H+]1CCC[C@]2(CN(Cc3cncs3)C2=O)C1 ZINC000585099712 367178090 /nfs/dbraw/zinc/17/80/90/367178090.db2.gz ZJARAEIXWPJORA-IUODEOHRSA-N 1 0 293.436 2.366 40 0 CEABRO c1ncc(CN2CC[NH2+]C[C@H]2c2ccccc2)s1 ZINC000165445136 367308548 /nfs/dbraw/zinc/30/85/48/367308548.db2.gz HVJXPXJOGDFQNT-AWEZNQCLSA-N 1 0 259.378 2.290 40 0 CEABRO c1ccc(OC[C@@H]2C[C@@H]3OCC[N@H+](CC4CC4)[C@H]3C2)nc1 ZINC000253591452 371530708 /nfs/dbraw/zinc/53/07/08/371530708.db2.gz NMVZUPDNUAFYQR-JYJNAYRXSA-N 1 0 288.391 2.350 40 0 CEABRO CNc1cc([C@@H]2CCCN(c3ccncn3)C2)ccn1 ZINC000257263001 371609913 /nfs/dbraw/zinc/60/99/13/371609913.db2.gz LNXZFMOIEONQEC-CYBMUJFWSA-N 1 0 269.352 2.297 40 0 CEABRO c1cc2nc([C@H]3CCCCN3Cc3cc[nH]n3)ccn2n1 ZINC000257243625 371609954 /nfs/dbraw/zinc/60/99/54/371609954.db2.gz IHVDPKQSNDSJND-CQSZACIVSA-N 1 0 282.351 2.180 40 0 CEABRO CC(=O)N1CCN(Cc2ccncc2)[C@@H](c2ccccc2)C1 ZINC000257313507 371612340 /nfs/dbraw/zinc/61/23/40/371612340.db2.gz USWMRFRJBAZKPB-GOSISDBHSA-N 1 0 295.386 2.487 40 0 CEABRO CNc1cc(C)nc([C@]2(C)CCC[N@@H+]2C2CCOCC2)n1 ZINC000257306328 371613488 /nfs/dbraw/zinc/61/34/88/371613488.db2.gz STVOUURMJSFTTJ-INIZCTEOSA-N 1 0 290.411 2.317 40 0 CEABRO CC(C)n1nc(C2CC2)cc1C[NH2+]CCCCO ZINC000256051743 190003544 /nfs/dbraw/zinc/00/35/44/190003544.db2.gz KJZZJCVQNFXYQG-UHFFFAOYSA-N 1 0 251.374 2.204 40 0 CEABRO C[N@@H+]1CCC[C@H](c2cncc(-c3ccc(CO)cc3)n2)C1 ZINC000257198282 190010862 /nfs/dbraw/zinc/01/08/62/190010862.db2.gz YBMLRUCEBXYVSF-HNNXBMFYSA-N 1 0 283.375 2.445 40 0 CEABRO CCn1nccc1-c1cc(C[C@@H]2CC[NH2+]C2)ccn1 ZINC000257209274 190012052 /nfs/dbraw/zinc/01/20/52/190012052.db2.gz BPSXIUNSBCCFJP-ZDUSSCGKSA-N 1 0 256.353 2.117 40 0 CEABRO c1ccc(CCNc2cccc(C[C@H]3CC[NH2+]C3)n2)nc1 ZINC000257210840 190012340 /nfs/dbraw/zinc/01/23/40/190012340.db2.gz BWJPBFBDTGXKRH-CQSZACIVSA-N 1 0 282.391 2.283 40 0 CEABRO Cc1cccc(Nc2cc(C)nc([C@H]3CC[NH2+]C3)n2)n1 ZINC000257207655 190012356 /nfs/dbraw/zinc/01/23/56/190012356.db2.gz BIQIFJQUSCVOTA-LBPRGKRZSA-N 1 0 269.352 2.309 40 0 CEABRO CCCn1nccc1-c1nccnc1C[C@H]1CCC[NH2+]C1 ZINC000257224452 190015435 /nfs/dbraw/zinc/01/54/35/190015435.db2.gz FBWXYLCSGQWSNS-CYBMUJFWSA-N 1 0 285.395 2.292 40 0 CEABRO c1csc(Nc2nccnc2[C@@H]2CCC[NH2+]C2)n1 ZINC000257224630 190015552 /nfs/dbraw/zinc/01/55/52/190015552.db2.gz FCQHLEXEHULTQX-SECBINFHSA-N 1 0 261.354 2.144 40 0 CEABRO CCc1nccn1-c1cccc(C2CC[NH2+]CC2)n1 ZINC000257241627 190018772 /nfs/dbraw/zinc/01/87/72/190018772.db2.gz HYUYNXMAKYDUAO-UHFFFAOYSA-N 1 0 256.353 2.297 40 0 CEABRO CC(C)[N@@H+]1CCC[C@@H](c2cnc(N3CCOC3=O)cn2)C1 ZINC000257257195 190021372 /nfs/dbraw/zinc/02/13/72/190021372.db2.gz KOMICXPVSREAOB-GFCCVEGCSA-N 1 0 290.367 2.021 40 0 CEABRO Cc1ccnc([C@H]2CC[N@H+](CC3CCOCC3)C2)n1 ZINC000257276559 190025326 /nfs/dbraw/zinc/02/53/26/190025326.db2.gz NUHCJVSQMLFSIO-AWEZNQCLSA-N 1 0 261.369 2.001 40 0 CEABRO Fc1ccc(Nc2ncc(F)c(C[C@H]3CC[NH2+]C3)n2)nc1 ZINC000257283674 190026044 /nfs/dbraw/zinc/02/60/44/190026044.db2.gz OZHZIBGCKUCVCR-SECBINFHSA-N 1 0 291.305 2.045 40 0 CEABRO c1nc2ncccn2c1-c1cccc([C@@H]2CCC[NH2+]C2)n1 ZINC000257290965 190027639 /nfs/dbraw/zinc/02/76/39/190027639.db2.gz QFAWXRKKTMAFHG-GFCCVEGCSA-N 1 0 279.347 2.258 40 0 CEABRO Cc1nc(Nc2cnccn2)cc([C@H]2CCCC[NH2+]2)n1 ZINC000257294379 190028469 /nfs/dbraw/zinc/02/84/69/190028469.db2.gz QTVSAGLRTCJAOI-LLVKDONJSA-N 1 0 270.340 2.133 40 0 CEABRO Cc1cc(Nc2cc([C@@H]3CCC[NH2+]C3)nc(C)n2)n[nH]1 ZINC000257314360 190033011 /nfs/dbraw/zinc/03/30/11/190033011.db2.gz UWPUJOBCWTZMKZ-LLVKDONJSA-N 1 0 272.356 2.027 40 0 CEABRO C[C@@H]1CCN(C(=O)OCc2ccccc2)C[C@@H]1C[NH3+] ZINC000261508581 190040215 /nfs/dbraw/zinc/04/02/15/190040215.db2.gz UUJPGFKKQIJHNO-OCCSQVGLSA-N 1 0 262.353 2.240 40 0 CEABRO Cc1cc(N2CCc3ccccc3C2)nc(N[C@@H](C)CO)[nH+]1 ZINC000329071179 376930125 /nfs/dbraw/zinc/93/01/25/376930125.db2.gz ZNJONRSLZBDKIC-ZDUSSCGKSA-N 1 0 298.390 2.140 40 0 CEABRO O=C(c1cccnc1)N1CCC2(CC[N@H+](CC3CC3)C2)CC1 ZINC000096157649 256813101 /nfs/dbraw/zinc/81/31/01/256813101.db2.gz PLSNSGVIBZOPSC-UHFFFAOYSA-N 1 0 299.418 2.420 40 0 CEABRO C[NH+](C)C[C@H]1Cn2ccnc2CN(Cc2cccs2)C1 ZINC000096188177 256816947 /nfs/dbraw/zinc/81/69/47/256816947.db2.gz IUFDWEBPTJSSMQ-CYBMUJFWSA-N 1 0 290.436 2.138 40 0 CEABRO COc1cccc(OC[C@H](O)C[NH+]2CCCCCC2)c1 ZINC000001469891 169708525 /nfs/dbraw/zinc/70/85/25/169708525.db2.gz DUFGEQYTHMPNKQ-CQSZACIVSA-N 1 0 279.380 2.311 40 0 CEABRO CC[NH+](CC)CCCNCc1cnc(NC(C)C)nc1 ZINC000062718451 394570613 /nfs/dbraw/zinc/57/06/13/394570613.db2.gz MUFYKSLLWHJWBR-UHFFFAOYSA-N 1 0 279.432 2.118 40 0 CEABRO CCSc1ncc(C[NH2+]C[C@H]2CCCN2CC)cn1 ZINC000062718361 394571337 /nfs/dbraw/zinc/57/13/37/394571337.db2.gz WROVRKSWLBYTMX-CYBMUJFWSA-N 1 0 280.441 2.163 40 0 CEABRO C[NH+](C)C[C@@H]1CN(CCc2ccccc2)Cc2ccnn21 ZINC000248152630 394537071 /nfs/dbraw/zinc/53/70/71/394537071.db2.gz YDPISZSPQWZXKR-QGZVFWFLSA-N 1 0 284.407 2.044 40 0 CEABRO CO[C@H]1C[N@H+](Cc2ccsc2)[C@@H]2CCCO[C@@H]21 ZINC000096057404 394675314 /nfs/dbraw/zinc/67/53/14/394675314.db2.gz UGJNWLSCEHHESE-AGIUHOORSA-N 1 0 253.367 2.126 40 0 CEABRO O=C(Oc1ccccc1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000096157163 394677005 /nfs/dbraw/zinc/67/70/05/394677005.db2.gz CJMWUNKZYOMPJF-OAHLLOKOSA-N 1 0 260.337 2.261 40 0 CEABRO C[N@@H+]1CCC[C@H](Nc2cncc(Br)c2)C1 ZINC000096510502 394694266 /nfs/dbraw/zinc/69/42/66/394694266.db2.gz UGBBFMZUPNGDOF-JTQLQIEISA-N 1 0 270.174 2.350 40 0 CEABRO C[C@H]([C@H]([NH3+])c1ccc(Cl)cc1Cl)S(C)(=O)=O ZINC000096524796 394696475 /nfs/dbraw/zinc/69/64/75/394696475.db2.gz CRSGAXNLFOHEJE-LDWIPMOCSA-N 1 0 282.192 2.426 40 0 CEABRO COC(=O)[C@@H]1C[N@H+](C)C[C@@H]1c1cccc(Br)c1 ZINC000217668618 400307889 /nfs/dbraw/zinc/30/78/89/400307889.db2.gz XBPKBJLBWHOMCJ-VXGBXAGGSA-N 1 0 298.180 2.267 40 0 CEABRO O=Cc1c(=O)[nH]c2ccccc2c1NCC[NH+]1CCCC1 ZINC000006681849 170225748 /nfs/dbraw/zinc/22/57/48/170225748.db2.gz RRDKDCGSWDFJLK-UHFFFAOYSA-N 1 0 285.347 2.261 40 0 CEABRO COc1ccc([C@@H](C[NH3+])N2CCC(C)CC2)c(OC)c1 ZINC000038809026 174156691 /nfs/dbraw/zinc/15/66/91/174156691.db2.gz VKMISRRYXJLXNC-OAHLLOKOSA-N 1 0 278.396 2.436 40 0 CEABRO CCN(CC)[C@@H](C[NH3+])c1cccc(OC)c1OC ZINC000038827648 174157521 /nfs/dbraw/zinc/15/75/21/174157521.db2.gz LAZWVOJYBIMUMK-LBPRGKRZSA-N 1 0 252.358 2.045 40 0 CEABRO CCOc1cncc(N2CC[C@]3(CCC[N@@H+]3C)C2)c1 ZINC000044138528 175146357 /nfs/dbraw/zinc/14/63/57/175146357.db2.gz HHNMXHMUQGXCJL-OAHLLOKOSA-N 1 0 261.369 2.155 40 0 CEABRO COc1ccc(OC)c(-c2noc([C@@H]3CCC[NH2+]C3)n2)c1 ZINC000072226849 176343407 /nfs/dbraw/zinc/34/34/07/176343407.db2.gz FODHHHIKLGFIEK-SNVBAGLBSA-N 1 0 289.335 2.221 40 0 CEABRO CC(=O)N1CC[N@@H+](C(C)C)C[C@H](COc2ccccc2)C1 ZINC000072374467 176384914 /nfs/dbraw/zinc/38/49/14/176384914.db2.gz YVTYUKQOZHZGJD-INIZCTEOSA-N 1 0 290.407 2.254 40 0 CEABRO Cc1nc(Nc2ccccn2)cc([C@H]2CC[N@@H+](C)C2)n1 ZINC000072382609 176388480 /nfs/dbraw/zinc/38/84/80/176388480.db2.gz GYMYTPWKPQTRFA-LBPRGKRZSA-N 1 0 269.352 2.343 40 0 CEABRO CNc1ncccc1C[N@@H+]1CC[C@@H](c2n[nH]cc2C)C1 ZINC000072386198 176391530 /nfs/dbraw/zinc/39/15/30/176391530.db2.gz MIUCRBHEBFJAMB-GFCCVEGCSA-N 1 0 271.368 2.144 40 0 CEABRO CC(=O)Oc1ccc(CN2C[C@H]3CCC[N@H+]3C[C@H]2C)cc1 ZINC000072397550 176394918 /nfs/dbraw/zinc/39/49/18/176394918.db2.gz DJHQGWZGQNFFAR-CZUORRHYSA-N 1 0 288.391 2.280 40 0 CEABRO CCN(CC[NH3+])Cc1cccc(Br)c1 ZINC000076663592 177050032 /nfs/dbraw/zinc/05/00/32/177050032.db2.gz XSMDMHAMGOGFLG-UHFFFAOYSA-N 1 0 257.175 2.230 40 0 CEABRO C[NH+]1CCC(CCNC(=O)Cc2ccccc2)CC1 ZINC000078578727 177356231 /nfs/dbraw/zinc/35/62/31/177356231.db2.gz FDDUUTONROGYLS-UHFFFAOYSA-N 1 0 260.381 2.077 40 0 CEABRO C[C@@H](O)C[NH2+]CCNCc1ccc(-c2ccccc2)cc1 ZINC000022076162 262344233 /nfs/dbraw/zinc/34/42/33/262344233.db2.gz WTCHOCAXOWBIAG-OAHLLOKOSA-N 1 0 284.403 2.414 40 0 CEABRO Cc1c(Cl)cccc1-n1ncc2c1nc[nH+]c2NN ZINC000085398061 274662197 /nfs/dbraw/zinc/66/21/97/274662197.db2.gz MLAXZBXLWDQPPV-UHFFFAOYSA-N 1 0 274.715 2.063 40 0 CEABRO Cc1cc2nccc(C3CC[NH+]([C@@H]4CCOC4)CC3)n2n1 ZINC000257298922 274730589 /nfs/dbraw/zinc/73/05/89/274730589.db2.gz RNWIUESQDLULGW-CQSZACIVSA-N 1 0 286.379 2.006 40 0 CEABRO CC(C)(C)C[NH+]1C[C@@H]2CN(C(=O)c3cscn3)C[C@H]2C1 ZINC000096080984 275511141 /nfs/dbraw/zinc/51/11/41/275511141.db2.gz MTJZVUDMNFVSCO-VXGBXAGGSA-N 1 0 293.436 2.193 40 0 CEABRO CC[NH+](CC)CCCNCc1ccnn1C(F)F ZINC000256051138 276325546 /nfs/dbraw/zinc/32/55/46/276325546.db2.gz HWLQORNBFNCYTG-UHFFFAOYSA-N 1 0 260.332 2.100 40 0 CEABRO C[NH+](C)CC[C@@H]1CCCCN1C(=O)c1cccnc1 ZINC000257248509 276793686 /nfs/dbraw/zinc/79/36/86/276793686.db2.gz JDYWGKGQRNRWKY-AWEZNQCLSA-N 1 0 261.369 2.028 40 0 CEABRO COC(=O)[C@H](c1ccccc1)[C@@]1(O)C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000004474245 277386322 /nfs/dbraw/zinc/38/63/22/277386322.db2.gz XGFOAXWEGYBKCA-LNCBFAARSA-N 1 0 291.391 2.034 40 0 CEABRO Cc1nc([C@@H]2CC[NH2+]C2)cc(N2CCCC(C)(C)C2)n1 ZINC000072386901 279106735 /nfs/dbraw/zinc/10/67/35/279106735.db2.gz TVMXNBNTELVIKZ-CYBMUJFWSA-N 1 0 274.412 2.488 40 0 CEABRO Cc1ccccc1[C@H]1C[C@@H](O)[C@@H](O)[C@@H]1[NH2+]Cc1ccccc1 ZINC000072321631 281397926 /nfs/dbraw/zinc/39/79/26/281397926.db2.gz AUHFALOXOVAESE-NCXUSEDFSA-N 1 0 297.398 2.363 40 0 biogenic,in-vitro CEABRO COc1ccc(OC)c(N2CC[NH2+][C@H]3CCC[C@H]32)c1 ZINC000218846342 333137215 /nfs/dbraw/zinc/13/72/15/333137215.db2.gz AVNOMXBVIMRIKL-QWHCGFSZSA-N 1 0 262.353 2.035 40 0 CEABRO COc1ccc(CN2CC[NH2+][C@H]3CCCC[C@@H]32)cc1 ZINC000225712197 333182242 /nfs/dbraw/zinc/18/22/42/333182242.db2.gz YNZVQPHDALLLHN-HOTGVXAUSA-N 1 0 260.381 2.412 40 0 CEABRO C[NH2+]C[C@H](OC(C)C)c1ccc(OC)cc1OC ZINC000062711659 522076539 /nfs/dbraw/zinc/07/65/39/522076539.db2.gz ZBKJVBGFVKTAHP-AWEZNQCLSA-N 1 0 253.342 2.389 40 0 CEABRO C[C@@H]([NH2+]Cc1cnc(N2CCOCC2)nc1)c1ccccc1 ZINC000062717748 525550854 /nfs/dbraw/zinc/55/08/54/525550854.db2.gz MNWLMFNOZNJUSK-CQSZACIVSA-N 1 0 298.390 2.164 40 0 CEABRO c1ncc(-c2nccnc2CC2CC[NH2+]CC2)s1 ZINC000205690614 538835998 /nfs/dbraw/zinc/83/59/98/538835998.db2.gz HZYGKEBHBRMHRG-UHFFFAOYSA-N 1 0 260.366 2.142 40 0 CEABRO CC[NH+](CC)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(C)O ZINC000685936447 567103000 /nfs/dbraw/zinc/10/30/00/567103000.db2.gz XZGHWFKFMPKSND-IUODEOHRSA-N 1 0 286.416 2.089 40 0 CEABRO C[NH+](C)CCCNc1cc(Cl)nc(C2CC2)n1 ZINC000082509653 178076297 /nfs/dbraw/zinc/07/62/97/178076297.db2.gz NGNWBWHVMVVKCV-UHFFFAOYSA-N 1 0 254.765 2.371 40 0 CEABRO c1coc(C[N@@H+]2CCC[C@]3(C[C@H](n4ccnc4)CO3)C2)c1 ZINC000096048544 185072801 /nfs/dbraw/zinc/07/28/01/185072801.db2.gz ODJOIXLINXIUPZ-HOCLYGCPSA-N 1 0 287.363 2.472 40 0 CEABRO CN1CCOCC12CC[NH+](Cc1ccc(F)cc1)CC2 ZINC000096048904 185073520 /nfs/dbraw/zinc/07/35/20/185073520.db2.gz QCDAZINIUZFJAJ-UHFFFAOYSA-N 1 0 278.371 2.122 40 0 CEABRO O=C1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2ccncc2)N1CC1CC1 ZINC000096056551 185077381 /nfs/dbraw/zinc/07/73/81/185077381.db2.gz QYUNRVGHTDJDQL-HZPDHXFCSA-N 1 0 285.391 2.057 40 0 CEABRO O=C(Cc1cccs1)N1CC[C@]2(CC[N@@H+]2CC2CC2)C1 ZINC000096076003 185090222 /nfs/dbraw/zinc/09/02/22/185090222.db2.gz FHZNXFYBJNEPKR-INIZCTEOSA-N 1 0 290.432 2.377 40 0 CEABRO CCOC[C@@H]1CC2(CO1)CC[NH+](CC1CCOCC1)CC2 ZINC000096105902 185098611 /nfs/dbraw/zinc/09/86/11/185098611.db2.gz SAEAUNBWWLGBNP-INIZCTEOSA-N 1 0 297.439 2.321 40 0 CEABRO Cc1nc(COCc2cnc3n2CC[N@@H+](C)[C@@H]3C)cs1 ZINC000096109866 185099720 /nfs/dbraw/zinc/09/97/20/185099720.db2.gz ODWVECWOCMMKOC-SNVBAGLBSA-N 1 0 292.408 2.371 40 0 CEABRO COc1ccc([C@H](C[NH3+])N2CCC[C@H](C)C2)c(OC)c1 ZINC000036100807 361829527 /nfs/dbraw/zinc/82/95/27/361829527.db2.gz SBZBRJHTMRUIII-WFASDCNBSA-N 1 0 278.396 2.436 40 0 CEABRO OCC[N@H+](Cc1ccc(Br)cc1)C1CC1 ZINC000048065474 362243162 /nfs/dbraw/zinc/24/31/62/362243162.db2.gz SQLKDDHXDGYZEI-UHFFFAOYSA-N 1 0 270.170 2.406 40 0 CEABRO c1csc(-c2cc(C[C@H]3CCC[NH2+]C3)ncn2)n1 ZINC000205691072 344528652 /nfs/dbraw/zinc/52/86/52/344528652.db2.gz SVYHCLMTKMGORR-SNVBAGLBSA-N 1 0 260.366 2.142 40 0 CEABRO C[NH2+][C@H]1CN(C(=O)OCc2ccccc2)CC[C@@H]1C ZINC000215045951 344533887 /nfs/dbraw/zinc/53/38/87/344533887.db2.gz BVEDDMAXSBXTHB-JSGCOSHPSA-N 1 0 262.353 2.253 40 0 CEABRO COc1ccc(C[C@@H]2OCCC23CC[NH2+]CC3)cc1 ZINC000585261356 345009059 /nfs/dbraw/zinc/00/90/59/345009059.db2.gz BUMXLVOIVXLTPR-HNNXBMFYSA-N 1 0 261.365 2.396 40 0 CEABRO O[C@H]1[C@H](Oc2cccc(F)c2)CCC[C@@H]1[NH2+]CC1CC1 ZINC000585290636 345010288 /nfs/dbraw/zinc/01/02/88/345010288.db2.gz ZBGBVVUNHLLKSG-ARFHVFGLSA-N 1 0 279.355 2.486 40 0 CEABRO [NH3+]C1(c2ccccc2Br)CCOCC1 ZINC000055336244 362549148 /nfs/dbraw/zinc/54/91/48/362549148.db2.gz KNCSBQLLSZKHIP-UHFFFAOYSA-N 1 0 256.143 2.414 40 0 CEABRO CCOc1cc([C@H](O)CC[NH3+])cc(OCC)c1OCC ZINC000087347453 179415012 /nfs/dbraw/zinc/41/50/12/179415012.db2.gz SGTAPWZYCUNAMB-GFCCVEGCSA-N 1 0 283.368 2.265 40 0 CEABRO c1ccc([C@H]2C[NH2+]CCN2Cc2ccncc2)cc1 ZINC000068696174 362945114 /nfs/dbraw/zinc/94/51/14/362945114.db2.gz IMKZPPXNAJTKHH-MRXNPFEDSA-N 1 0 253.349 2.228 40 0 CEABRO [NH3+][C@@H]1CC12CCN(C(=O)OCc1ccccc1)CC2 ZINC000091361778 180141858 /nfs/dbraw/zinc/14/18/58/180141858.db2.gz MAIUNOFRWGGGQG-CYBMUJFWSA-N 1 0 260.337 2.136 40 0 CEABRO Cc1ccc(C[NH+]2CCC3(CNC(=O)C3)CC2)s1 ZINC000108527396 186220760 /nfs/dbraw/zinc/22/07/60/186220760.db2.gz SHFRRNZKCZYBJO-UHFFFAOYSA-N 1 0 264.394 2.159 40 0 CEABRO COc1ccc(-c2noc(-c3cc[nH+]c(NN)c3)n2)cc1 ZINC000070451561 363084031 /nfs/dbraw/zinc/08/40/31/363084031.db2.gz CVEPUOKIYYYTKV-UHFFFAOYSA-N 1 0 283.291 2.093 40 0 CEABRO CC1CCN(c2cc(CC[C@H]3CCC[NH2+]3)ncn2)CC1 ZINC000072386521 363132706 /nfs/dbraw/zinc/13/27/06/363132706.db2.gz OEGOKNTWEZHDRI-CQSZACIVSA-N 1 0 274.412 2.398 40 0 CEABRO Cc1cccc(CNC(=O)CC2CC[NH+](C)CC2)c1 ZINC000074920909 363418729 /nfs/dbraw/zinc/41/87/29/363418729.db2.gz NONFMDIQSHTYBG-UHFFFAOYSA-N 1 0 260.381 2.343 40 0 CEABRO CNc1cc(C)[nH+]c(N2CCc3ccccc3C2)n1 ZINC000074934159 363424293 /nfs/dbraw/zinc/42/42/93/363424293.db2.gz LBMGWDVAOBZBKF-UHFFFAOYSA-N 1 0 254.337 2.389 40 0 CEABRO CCS(=O)(=O)[C@@H](C)[C@H]([NH3+])c1ccc(Cl)cc1 ZINC000075418392 363462907 /nfs/dbraw/zinc/46/29/07/363462907.db2.gz YRFZHFIMDNRDHX-KWQFWETISA-N 1 0 261.774 2.163 40 0 CEABRO CC(C)(C)OC(=O)N(C[C@H]1CCC[N@H+](CCO)C1)C1CC1 ZINC000079408233 363595827 /nfs/dbraw/zinc/59/58/27/363595827.db2.gz GVONRHMNXDNATN-ZDUSSCGKSA-N 1 0 298.427 2.090 40 0 CEABRO C[C@H]([NH3+])C(=O)N(Cc1cccc(Br)c1)C1CC1 ZINC000079420602 363598295 /nfs/dbraw/zinc/59/82/95/363598295.db2.gz AUTIIMHJQWISMM-VIFPVBQESA-N 1 0 297.196 2.287 40 0 CEABRO CSc1ccc(CN(C(=O)[C@H](C)[NH3+])C(C)C)cc1 ZINC000079420572 363599054 /nfs/dbraw/zinc/59/90/54/363599054.db2.gz HKLVSPIVSHUHBT-NSHDSACASA-N 1 0 266.410 2.493 40 0 CEABRO O=C(OCc1ccccc1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000079437873 363600021 /nfs/dbraw/zinc/60/00/21/363600021.db2.gz ZOGPRVKWMUKHFA-CQSZACIVSA-N 1 0 260.337 2.150 40 0 CEABRO CN(C(=O)c1cc[nH]n1)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC000000034376 361118498 /nfs/dbraw/zinc/11/84/98/361118498.db2.gz RNBARUZKTHQASX-UHFFFAOYSA-N 1 0 278.400 2.133 40 0 CEABRO O=C1CCCN1[C@@H]1C[C@@H]2c3ccccc3[C@H]1c1cccc[n+]12 ZINC000001564554 361208715 /nfs/dbraw/zinc/20/87/15/361208715.db2.gz USLGSFPANRUCON-LMMKCTJWSA-N 1 0 291.374 2.404 40 0 CEABRO CCO[P@](C)(=O)[C@@H]([NH3+])Cc1ccc(OC)c(OC)c1 ZINC000001643264 361213371 /nfs/dbraw/zinc/21/33/71/361213371.db2.gz MKZYOIOCNIKTSN-YJYMSZOUSA-N 1 0 287.296 2.476 40 0 CEABRO CSCSC[C@@H](CO)[NH2+]Cc1ccccc1 ZINC000001635509 361213480 /nfs/dbraw/zinc/21/34/80/361213480.db2.gz NCYQXZFKRIWXJK-GFCCVEGCSA-N 1 0 257.424 2.191 40 0 CEABRO CC(C)[C@H]1C[C@](c2ccccc2)([C@@H](C[NH3+])CO)CCO1 ZINC000004006537 361296147 /nfs/dbraw/zinc/29/61/47/361296147.db2.gz GNWJGDYYXVWTCX-GVDBMIGSSA-N 1 0 277.408 2.327 40 0 CEABRO O=C(COc1ccc(Cl)cc1)O[C@H]1C[NH+]2CCC1CC2 ZINC000004897285 361328877 /nfs/dbraw/zinc/32/88/77/361328877.db2.gz AKGAGURKPAIOPS-AWEZNQCLSA-N 1 0 295.766 2.356 40 0 CEABRO O=c1cccc2n1C[C@@H]1C[C@H]2C[N@@H+](Cc2ccccc2)C1 ZINC000005010309 361330515 /nfs/dbraw/zinc/33/05/15/361330515.db2.gz OKPJEOSIUJHZFG-CVEARBPZSA-N 1 0 280.371 2.468 40 0 CEABRO CCN(CC)[C@@H](C[NH3+])c1cc(OC)cc(OC)c1 ZINC000019840870 361561156 /nfs/dbraw/zinc/56/11/56/361561156.db2.gz JTGMSFFSSBPGRA-AWEZNQCLSA-N 1 0 252.358 2.045 40 0 CEABRO COCCn1cc(C[N@@H+]2CC[C@H](CO)C2)c2ccccc21 ZINC000019594207 361545091 /nfs/dbraw/zinc/54/50/91/361545091.db2.gz UOFACYKJPDPFLY-AWEZNQCLSA-N 1 0 288.391 2.102 40 0 CEABRO CC[NH+](CC)CCNCc1ccc(OC)cc1OC ZINC000019919136 361566852 /nfs/dbraw/zinc/56/68/52/361566852.db2.gz MSAAOSURZXKPRP-UHFFFAOYSA-N 1 0 266.385 2.135 40 0 CEABRO COc1ccc(CC[NH2+]Cc2cc(C)nn2C)cc1OC ZINC000089182055 363946749 /nfs/dbraw/zinc/94/67/49/363946749.db2.gz MHXGJHLHDLNEGK-UHFFFAOYSA-N 1 0 289.379 2.078 40 0 CEABRO CCC[N@@H+]1CCN(CCOC)c2nc(C)ccc2C1 ZINC000096199040 364408914 /nfs/dbraw/zinc/40/89/14/364408914.db2.gz OJAZWBVJEQEYGM-UHFFFAOYSA-N 1 0 263.385 2.068 40 0 CEABRO CC[NH+](CC)[C@@H]1CN(Cc2ccccn2)[C@@H]2CCCO[C@H]12 ZINC000096185778 364407102 /nfs/dbraw/zinc/40/71/02/364407102.db2.gz RHOUWIGEKHPURK-ZACQAIPSSA-N 1 0 289.423 2.155 40 0 CEABRO c1coc(C[N@H+]2CC[C@H]3OCCN(CC4CC4)[C@@H]3CC2)c1 ZINC000096249302 364416931 /nfs/dbraw/zinc/41/69/31/364416931.db2.gz OXKNUNVMFCNJIV-IAGOWNOFSA-N 1 0 290.407 2.355 40 0 CEABRO O=C1[C@H]2C[N@H+](Cc3ccsc3)C[C@H]2CN1c1cccnc1 ZINC000096245174 364417110 /nfs/dbraw/zinc/41/71/10/364417110.db2.gz DNZGVNIZPUTSIK-ZFWWWQNUSA-N 1 0 299.399 2.238 40 0 CEABRO CC(C)[NH+]1CCC2(CC1)CNC(=O)C[C@@H]2C(F)(F)F ZINC000096261793 364418641 /nfs/dbraw/zinc/41/86/41/364418641.db2.gz SUZXDVIDNAUOJU-JTQLQIEISA-N 1 0 278.318 2.175 40 0 CEABRO CN1CCO[C@]2(CCC[N@H+](Cc3cccs3)C2)C1 ZINC000096268626 364419882 /nfs/dbraw/zinc/41/98/82/364419882.db2.gz AQSFSFPAVZSNHN-CQSZACIVSA-N 1 0 266.410 2.045 40 0 CEABRO OC[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(F)(F)F ZINC000102225116 364587787 /nfs/dbraw/zinc/58/77/87/364587787.db2.gz JVJIYCXIYVNRHB-RYUDHWBXSA-N 1 0 259.271 2.289 40 0 CEABRO CC[C@H](Oc1ccc(C)cc1)C(=O)NC1CC[NH+](C)CC1 ZINC000113960029 364919662 /nfs/dbraw/zinc/91/96/62/364919662.db2.gz DXJDHXIDCNONSG-INIZCTEOSA-N 1 0 290.407 2.363 40 0 CEABRO CN1c2cccnc2C[N@H+](C2CCCCC2)CC[C@H]1CO ZINC000225496892 370299265 /nfs/dbraw/zinc/29/92/65/370299265.db2.gz RODGZJKUDWMGLG-HNNXBMFYSA-N 1 0 289.423 2.417 40 0 biogenic,in-vitro CEABRO CN(C(=O)c1nccc2ccccc21)[C@H]1CCC[NH2+]CC1 ZINC000231303585 370476131 /nfs/dbraw/zinc/47/61/31/370476131.db2.gz NUWJMBLBKOUPAM-AWEZNQCLSA-N 1 0 283.375 2.449 40 0 CEABRO Cc1c[nH]c([C@H]2CCCN(c3cc(C)ncn3)C2)n1 ZINC000257261219 371611122 /nfs/dbraw/zinc/61/11/22/371611122.db2.gz LGFPBMUAAZGRQX-LBPRGKRZSA-N 1 0 257.341 2.201 40 0 CEABRO Cc1cccc(N2CCO[C@H](c3cccc(N(C)C)n3)C2)n1 ZINC000257283123 371611639 /nfs/dbraw/zinc/61/16/39/371611639.db2.gz OWVVLVDYQKHAOI-HNNXBMFYSA-N 1 0 298.390 2.429 40 0 CEABRO COC(=O)CC1CC[NH+](CCC(F)(F)F)CC1 ZINC000259961041 371631332 /nfs/dbraw/zinc/63/13/32/371631332.db2.gz PABYYJAATLHYMN-UHFFFAOYSA-N 1 0 253.264 2.214 40 0 CEABRO CCCn1nc(C)cc1CNCCC[NH+](CC)CC ZINC000256051011 190003763 /nfs/dbraw/zinc/00/37/63/190003763.db2.gz HJPDCMODIIIIAH-UHFFFAOYSA-N 1 0 266.433 2.423 40 0 CEABRO CN(C)C(=O)c1sc2nc([C@@H]3CCC[NH2+]3)ccc2c1N ZINC000257206273 190011501 /nfs/dbraw/zinc/01/15/01/190011501.db2.gz BCRATOZAKBUZCZ-VIFPVBQESA-N 1 0 290.392 2.005 40 0 CEABRO CC(C)[N@@H+]1CCC[C@H](c2nccnc2-c2cc[nH]n2)C1 ZINC000257243876 190018337 /nfs/dbraw/zinc/01/83/37/190018337.db2.gz IIYJAMZHHXHNQK-LBPRGKRZSA-N 1 0 271.368 2.455 40 0 CEABRO Cn1nccc1-c1cc(CC2CC[NH2+]CC2)ccn1 ZINC000257241405 190018379 /nfs/dbraw/zinc/01/83/79/190018379.db2.gz HXYHJRIEYKWXJI-UHFFFAOYSA-N 1 0 256.353 2.024 40 0 CEABRO CC(C)n1nccc1-c1cncc(C[C@H]2CC[NH2+]C2)n1 ZINC000257240993 190018404 /nfs/dbraw/zinc/01/84/04/190018404.db2.gz HWDYZKOKXORNQV-GFCCVEGCSA-N 1 0 271.368 2.073 40 0 CEABRO CCn1cc(-c2cnc(C[C@@H]3CCC[N@H+](C)C3)cn2)cn1 ZINC000257247669 190019224 /nfs/dbraw/zinc/01/92/24/190019224.db2.gz IZZUGRJQXOCHFJ-ZDUSSCGKSA-N 1 0 285.395 2.244 40 0 CEABRO CC(C)n1nccc1-c1nccnc1C[C@@H]1CC[NH2+]C1 ZINC000257249621 190019779 /nfs/dbraw/zinc/01/97/79/190019779.db2.gz JJCGMSRIJVNDJQ-LBPRGKRZSA-N 1 0 271.368 2.073 40 0 CEABRO Cc1ccc(-c2cc(C[C@@]3(C(N)=O)CCC[NH2+]C3)on2)cc1 ZINC000257248779 190019800 /nfs/dbraw/zinc/01/98/00/190019800.db2.gz JFDURRUWLDAWEJ-KRWDZBQOSA-N 1 0 299.374 2.048 40 0 CEABRO CCCn1cc(-c2cnc(C[C@@H]3CCC[NH2+]C3)cn2)cn1 ZINC000257248766 190020174 /nfs/dbraw/zinc/02/01/74/190020174.db2.gz JFCTVVDSQNPUQD-ZDUSSCGKSA-N 1 0 285.395 2.292 40 0 CEABRO Cc1csc(Nc2nccnc2C2CC[NH2+]CC2)n1 ZINC000257251043 190020352 /nfs/dbraw/zinc/02/03/52/190020352.db2.gz JPEFZIOCUGVSIX-UHFFFAOYSA-N 1 0 275.381 2.452 40 0 CEABRO Cc1cc(Nc2cnc(CC3CC[NH+](C)CC3)cn2)no1 ZINC000257267084 190023253 /nfs/dbraw/zinc/02/32/53/190023253.db2.gz MFXMLPKREARRKN-UHFFFAOYSA-N 1 0 287.367 2.401 40 0 CEABRO C[C@@H]1CN(c2cccc(C3CC[NH+](C)CC3)n2)C(=O)O1 ZINC000257272312 190024146 /nfs/dbraw/zinc/02/41/46/190024146.db2.gz NBXQISVNIZMUPI-LLVKDONJSA-N 1 0 275.352 2.236 40 0 CEABRO CCn1nccc1-c1cncc([C@@H]2CCC[N@H+](C)C2)n1 ZINC000257262922 190022240 /nfs/dbraw/zinc/02/22/40/190022240.db2.gz LNQOMPKHBKSNLT-GFCCVEGCSA-N 1 0 271.368 2.169 40 0 CEABRO CC(C)[N@@H+]1CCC[C@@H](c2cncc(N3CCOC3=O)n2)C1 ZINC000257263101 190022690 /nfs/dbraw/zinc/02/26/90/190022690.db2.gz LOJOGOHTWCXGJK-GFCCVEGCSA-N 1 0 290.367 2.021 40 0 CEABRO CN1CC[N@H+](CC2CCOCC2)C[C@H]1c1ccccc1 ZINC000257276967 190025814 /nfs/dbraw/zinc/02/58/14/190025814.db2.gz NVXIWKSFLGNMOR-KRWDZBQOSA-N 1 0 274.408 2.402 40 0 CEABRO CCn1nc(C)c(C[N@@H+]2CC[C@@H](c3cc[nH]n3)C2)c1C ZINC000257304679 190030524 /nfs/dbraw/zinc/03/05/24/190030524.db2.gz SMRZFIRWGUQAHL-CYBMUJFWSA-N 1 0 273.384 2.232 40 0 CEABRO CC(C)n1cc(-c2nccnc2[C@H]2CCC[NH2+]C2)cn1 ZINC000257308701 190030971 /nfs/dbraw/zinc/03/09/71/190030971.db2.gz TXTJCVZBERNGIO-LBPRGKRZSA-N 1 0 271.368 2.388 40 0 CEABRO O=C(CCc1cccnc1)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000257314399 190032804 /nfs/dbraw/zinc/03/28/04/190032804.db2.gz UWTXYCXEXKSTIU-KRWDZBQOSA-N 1 0 295.386 2.187 40 0 CEABRO Cc1ccnc([C@H]2CC[N@H+](Cc3cccnc3)C2)n1 ZINC000257318693 190033621 /nfs/dbraw/zinc/03/36/21/190033621.db2.gz VPABUMCZLGLZBY-AWEZNQCLSA-N 1 0 254.337 2.170 40 0 CEABRO Cc1cccnc1C(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)[NH2+]2 ZINC000257342650 190036940 /nfs/dbraw/zinc/03/69/40/190036940.db2.gz ZPNRODXQFUGTGG-ZJOBFFGXSA-N 1 0 285.391 2.135 40 0 CEABRO Cc1cn(C)c([C@H]2CCC[N@H+](Cc3ccnc(C)n3)C2)n1 ZINC000257342605 190037130 /nfs/dbraw/zinc/03/71/30/190037130.db2.gz ZPKUHMHWWFJSIU-AWEZNQCLSA-N 1 0 285.395 2.207 40 0 CEABRO Fc1cccc(N[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000306134027 376539734 /nfs/dbraw/zinc/53/97/34/376539734.db2.gz NCCDOUVKXMSRLE-UONOGXRCSA-N 1 0 250.317 2.149 40 0 CEABRO CC(C)Nc1nc(NCCc2ccccn2)cc(C2CC2)[nH+]1 ZINC000329071583 376929120 /nfs/dbraw/zinc/92/91/20/376929120.db2.gz ZRFVUHHPOUQSCF-UHFFFAOYSA-N 1 0 297.406 2.068 40 0 CEABRO COc1ccc(CN2CC[NH2+][C@H]3CCCC[C@H]32)cc1 ZINC000218830098 130771243 /nfs/dbraw/zinc/77/12/43/130771243.db2.gz YNZVQPHDALLLHN-JKSUJKDBSA-N 1 0 260.381 2.412 40 0 CEABRO CCN1c2ccc(SCCC[NH3+])cc2CCC1=O ZINC000218804335 130771306 /nfs/dbraw/zinc/77/13/06/130771306.db2.gz HKCLVAMHKSHOJR-UHFFFAOYSA-N 1 0 264.394 2.427 40 0 CEABRO Cc1ccc(C[NH2+]CCc2cccc(C(N)=O)c2)o1 ZINC000237740220 131055534 /nfs/dbraw/zinc/05/55/34/131055534.db2.gz VYFZLHVRDWPWOJ-UHFFFAOYSA-N 1 0 258.321 2.019 40 0 CEABRO O=C(C[NH2+]C1CC1)Nc1ccccc1OC(F)(F)F ZINC000037609139 394497309 /nfs/dbraw/zinc/49/73/09/394497309.db2.gz MVHVCEOZBSKWNY-UHFFFAOYSA-N 1 0 274.242 2.276 40 0 CEABRO CCOC(=O)[C@H](C[NH3+])C(C)(C)Nc1ccccc1 ZINC000072210415 394592429 /nfs/dbraw/zinc/59/24/29/394592429.db2.gz OLCGLIJGKHIGFG-LBPRGKRZSA-N 1 0 250.342 2.015 40 0 CEABRO c1nc(N2CCCC2)ncc1C[NH2+]C1CCCCC1 ZINC000062717787 394570599 /nfs/dbraw/zinc/57/05/99/394570599.db2.gz HOHJBPZDKWCKET-UHFFFAOYSA-N 1 0 260.385 2.499 40 0 CEABRO Cc1cc([C@H]2CCCC[N@H+]2C)cnc1N1CCOCC1 ZINC000072219355 394594280 /nfs/dbraw/zinc/59/42/80/394594280.db2.gz PVFLDBQEPOWSBI-OAHLLOKOSA-N 1 0 275.396 2.383 40 0 CEABRO CCOC(=O)[C@@H](C[NH3+])[C@](C)(CC)Nc1ccccc1 ZINC000072210424 394592114 /nfs/dbraw/zinc/59/21/14/394592114.db2.gz CSLWMWGDLMDQTK-HIFRSBDPSA-N 1 0 264.369 2.405 40 0 CEABRO [NH3+]CCn1cccc1-c1nc(-c2ccccc2)no1 ZINC000096517053 394694403 /nfs/dbraw/zinc/69/44/03/394694403.db2.gz KCCHXJHPOLCESK-UHFFFAOYSA-N 1 0 254.293 2.164 40 0 CEABRO CCS(=O)(=O)C[C@H]([NH3+])c1ccc(Cl)cc1Cl ZINC000096524759 394696649 /nfs/dbraw/zinc/69/66/49/394696649.db2.gz VTCJHCXXMJEQSN-JTQLQIEISA-N 1 0 282.192 2.428 40 0 CEABRO CCN(CC)c1ccc2cc(C(=[NH2+])NC)c(=O)oc2c1 ZINC000255187881 400316606 /nfs/dbraw/zinc/31/66/06/400316606.db2.gz HILQZMYQDBUMEY-UHFFFAOYSA-N 1 0 273.336 2.184 40 0 CEABRO CC(C)(C)[NH2+]C[C@H](O)COc1ccccc1Cl ZINC000004317354 169956939 /nfs/dbraw/zinc/95/69/39/169956939.db2.gz JRUUGPTUDLVBJC-JTQLQIEISA-N 1 0 257.761 2.468 40 0 CEABRO Nc1ccc(C(=O)NC[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000005553179 170112402 /nfs/dbraw/zinc/11/24/02/170112402.db2.gz MKNQZZGCGYYGOH-ZBFHGGJFSA-N 1 0 287.407 2.263 40 0 CEABRO CC[C@@H](O)C[NH2+]Cc1ccnc2ccc(OC)cc12 ZINC000005846731 170146496 /nfs/dbraw/zinc/14/64/96/170146496.db2.gz VJKNDSDPZOBVFW-GFCCVEGCSA-N 1 0 260.337 2.104 40 0 CEABRO COc1ccc(-c2noc(C3CC[NH2+]CC3)n2)c(OC)c1 ZINC000020268761 171124743 /nfs/dbraw/zinc/12/47/43/171124743.db2.gz XWPOCYAJAZBASQ-UHFFFAOYSA-N 1 0 289.335 2.221 40 0 CEABRO CCOc1ccccc1[C@H](C[NH3+])N1C[C@@H](C)O[C@@H](C)C1 ZINC000022169654 171367100 /nfs/dbraw/zinc/36/71/00/171367100.db2.gz KUHBBCHKJVKJPO-GUTXKFCHSA-N 1 0 278.396 2.194 40 0 CEABRO c1ccc(-c2nc3ccccn3c2CN2CC[NH2+]CC2)cc1 ZINC000022465196 171388383 /nfs/dbraw/zinc/38/83/83/171388383.db2.gz XIKCPUYIKHDSKZ-UHFFFAOYSA-N 1 0 292.386 2.407 40 0 CEABRO [NH3+][C@H]1CCCN(Cc2ccccc2Br)C1 ZINC000038539470 174145430 /nfs/dbraw/zinc/14/54/30/174145430.db2.gz YSEBLSWFGARBGE-NSHDSACASA-N 1 0 269.186 2.372 40 0 CEABRO [NH3+][C@H]1CCCN(Cc2cccc(Br)c2)C1 ZINC000038539627 174145537 /nfs/dbraw/zinc/14/55/37/174145537.db2.gz AXWBHMBWRFARND-LBPRGKRZSA-N 1 0 269.186 2.372 40 0 CEABRO CC(C)[NH2+]C[C@@H](O)COC12CC3CC(CC(C3)C1)C2 ZINC000010434651 414746950 /nfs/dbraw/zinc/74/69/50/414746950.db2.gz IGZFOPMSKCNIIJ-IBHBGHMQSA-N 1 0 267.413 2.331 40 0 CEABRO CC(C)N1CCCC[C@](C)(C2CC[NH2+]CC2)C1=O ZINC000072343507 176371986 /nfs/dbraw/zinc/37/19/86/176371986.db2.gz PTJMOWIMEJQSDW-OAHLLOKOSA-N 1 0 252.402 2.413 40 0 CEABRO Cc1cc(Nc2cccc([C@H]3CCC[N@@H+]3CCO)n2)no1 ZINC000072383040 176388113 /nfs/dbraw/zinc/38/81/13/176388113.db2.gz ZUYKMGCTTZYUQL-CYBMUJFWSA-N 1 0 288.351 2.251 40 0 CEABRO CNc1ncccc1C[NH+]1CCC(c2cnccn2)CC1 ZINC000072386208 176391772 /nfs/dbraw/zinc/39/17/72/176391772.db2.gz MAMXFMABHCDJHP-UHFFFAOYSA-N 1 0 283.379 2.293 40 0 CEABRO Cc1ccc(C[NH+]2CCC3(CCCNC3=O)CC2)cc1 ZINC000072393734 176394363 /nfs/dbraw/zinc/39/43/63/176394363.db2.gz MCSNQNDGWPYKBZ-UHFFFAOYSA-N 1 0 272.392 2.487 40 0 CEABRO COC(=O)c1cccc(NC(=O)CC2CC[NH+](C)CC2)c1 ZINC000074921035 176635439 /nfs/dbraw/zinc/63/54/39/176635439.db2.gz WNBPVQJAMISOGN-UHFFFAOYSA-N 1 0 290.363 2.144 40 0 CEABRO O=C1N(c2ccccc2)C[C@H]2C[N@@H+](CC3CC3)CCN12 ZINC000077266523 177247243 /nfs/dbraw/zinc/24/72/43/177247243.db2.gz JASVDHBQAZOAHE-OAHLLOKOSA-N 1 0 271.364 2.023 40 0 biogenic,in-vitro CEABRO [NH3+]CCOC[C@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000079390659 177475054 /nfs/dbraw/zinc/47/50/54/177475054.db2.gz OZKNOJXZQULVAF-OAHLLOKOSA-N 1 0 292.379 2.153 40 0 CEABRO CCOC(=O)N1Cc2ccccc2C2(CC[NH2+]CC2)C1 ZINC000096088786 273689711 /nfs/dbraw/zinc/68/97/11/273689711.db2.gz KKRZWOVZHMRERU-UHFFFAOYSA-N 1 0 274.364 2.280 40 0 CEABRO Brc1ccc2c(c1)C1(CO2)CC[NH2+]CC1 ZINC000091301878 275370497 /nfs/dbraw/zinc/37/04/97/275370497.db2.gz MJEYZCOPEVHIOB-UHFFFAOYSA-N 1 0 268.154 2.463 40 0 CEABRO COC(=O)[C@]1(Cc2ccccc2-c2ccncc2)CC[NH2+]C1 ZINC000072390517 277415584 /nfs/dbraw/zinc/41/55/84/277415584.db2.gz MRXDHAGQWCCSOC-SFHVURJKSA-N 1 0 296.370 2.444 40 0 CEABRO CC(C)(C)OC(=O)N(C1CC1)C1CCC([NH2+]CCO)CC1 ZINC000079408245 278377063 /nfs/dbraw/zinc/37/70/63/278377063.db2.gz UIMUSTUGVZRPQE-UHFFFAOYSA-N 1 0 298.427 2.279 40 0 CEABRO CC(C)(C)OC(=O)N(C[C@H]1CCCCN1CC[NH3+])C1CC1 ZINC000079408631 278377677 /nfs/dbraw/zinc/37/76/77/278377677.db2.gz LPRMAENLINKOFU-CQSZACIVSA-N 1 0 297.443 2.199 40 0 CEABRO C[NH+](C)C[C@@H](O)CO[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C ZINC000009970707 289189493 /nfs/dbraw/zinc/18/94/93/289189493.db2.gz QHOISADSPHRGIG-KYEXWDHISA-N 1 0 255.402 2.140 40 0 CEABRO [NH3+][C@H]1CC[C@@H]2CN(C(=O)C3CCC(F)(F)CC3)C[C@@H]12 ZINC000195562556 295341207 /nfs/dbraw/zinc/34/12/07/295341207.db2.gz HGEGSWQJHZJXLK-UTUOFQBUSA-N 1 0 272.339 2.008 40 0 CEABRO C[C@@]12C[C@H]3CN(C(=O)c4cccnc4)[C@@H]1CCCC[C@@H]2[NH2+]3 ZINC000257314137 297943191 /nfs/dbraw/zinc/94/31/91/297943191.db2.gz UVMGDLIJIJIBLL-MPTYRVRUSA-N 1 0 285.391 2.217 40 0 CEABRO COc1ccc(CCN2CC[NH2+][C@H]3CCC[C@@H]32)cc1 ZINC000225715931 333182099 /nfs/dbraw/zinc/18/20/99/333182099.db2.gz XPVMECDKJUEICT-HOTGVXAUSA-N 1 0 260.381 2.064 40 0 CEABRO C[NH+](C)C[C@@H]1CCCCN1C(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000245481480 334196351 /nfs/dbraw/zinc/19/63/51/334196351.db2.gz CJYWUBAMFOMXNK-BYNSBNAKSA-N 1 0 264.413 2.365 40 0 CEABRO C[NH2+]C[C@@H]1C[C@H]1c1c(OC)cc(OC)cc1OC ZINC000054588957 522060896 /nfs/dbraw/zinc/06/08/96/522060896.db2.gz GVUDXUPKTVRUKO-GXSJLCMTSA-N 1 0 251.326 2.035 40 0 CEABRO CCc1cccc(CC)c1NC(=O)CN1CCC[NH2+]CC1 ZINC000061268817 524067649 /nfs/dbraw/zinc/06/76/49/524067649.db2.gz BXAPYDQTEJMZJR-UHFFFAOYSA-N 1 0 289.423 2.045 40 0 CEABRO CC(C)(C)OC(=O)NC1CCN(c2cc(N)cc[nH+]2)CC1 ZINC000114036027 534870885 /nfs/dbraw/zinc/87/08/85/534870885.db2.gz IZTWOJWZUFNVCK-UHFFFAOYSA-N 1 0 292.383 2.157 40 0 CEABRO CC(C)(C)c1ccc(OC[C@H](O)C[NH2+]C2CC2)cc1 ZINC000032113126 538877447 /nfs/dbraw/zinc/87/74/47/538877447.db2.gz YIIUJBIYFWOHEB-CQSZACIVSA-N 1 0 263.381 2.476 40 0 CEABRO [NH3+][C@@H](Cc1ccccc1)c1nc(-c2ccco2)n[nH]1 ZINC000095534822 185007774 /nfs/dbraw/zinc/00/77/74/185007774.db2.gz LDPXCDVQEVKNNU-NSHDSACASA-N 1 0 254.293 2.307 40 0 CEABRO [NH3+][C@@H](Cc1ccccc1)c1nc(-c2ccccn2)n[nH]1 ZINC000095534854 185007926 /nfs/dbraw/zinc/00/79/26/185007926.db2.gz ZNZKYOXYLNDPRV-LBPRGKRZSA-N 1 0 265.320 2.109 40 0 CEABRO [NH3+][C@@H](Cc1ccccc1)c1nnc(-c2cccc(O)c2)[nH]1 ZINC000095534846 185008217 /nfs/dbraw/zinc/00/82/17/185008217.db2.gz IOHTVRNCKHTFNG-AWEZNQCLSA-N 1 0 280.331 2.420 40 0 CEABRO COC[C@]12CCCO[C@@H]1CC[N@H+](Cc1c(C)noc1C)C2 ZINC000096038986 185068813 /nfs/dbraw/zinc/06/88/13/185068813.db2.gz GZUKRQBPKZRFIF-HZPDHXFCSA-N 1 0 294.395 2.309 40 0 CEABRO O=C1[C@H]2C[N@H+](Cc3ccccn3)C[C@H]2CN1c1ccsc1 ZINC000096053687 185074904 /nfs/dbraw/zinc/07/49/04/185074904.db2.gz KHGWGRKYLPWAMZ-WFASDCNBSA-N 1 0 299.399 2.238 40 0 CEABRO CC(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCN2C(=O)c1ccccn1 ZINC000096055786 185075428 /nfs/dbraw/zinc/07/54/28/185075428.db2.gz LYIZLWUPFKMNCC-LSDHHAIUSA-N 1 0 273.380 2.026 40 0 CEABRO CCCC(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000033672206 361784394 /nfs/dbraw/zinc/78/43/94/361784394.db2.gz KPQMHICEZJLQOA-UHFFFAOYSA-N 1 0 261.369 2.177 40 0 CEABRO COC[C@@]12CCCO[C@H]1CC[N@H+](Cc1ccccn1)C2 ZINC000096056721 185077707 /nfs/dbraw/zinc/07/77/07/185077707.db2.gz YLSCRXPAZCUAOA-HOTGVXAUSA-N 1 0 276.380 2.099 40 0 CEABRO CC(C)OCc1ncn2c1C[N@H+](CC1CC1)CCC2 ZINC000096059054 185078831 /nfs/dbraw/zinc/07/88/31/185078831.db2.gz YUQFDFIHAYEPRY-UHFFFAOYSA-N 1 0 263.385 2.424 40 0 CEABRO c1cc(CO[C@@H]2C[N@H+](CC3CC3)[C@H]3CCCO[C@@H]23)ccn1 ZINC000096058140 185079172 /nfs/dbraw/zinc/07/91/72/185079172.db2.gz IONLEICGGFTNQG-GVDBMIGSSA-N 1 0 288.391 2.240 40 0 CEABRO CC(C)OCc1nn(C)c2c1CC[N@H+](CC1CC1)C2 ZINC000096058975 185079436 /nfs/dbraw/zinc/07/94/36/185079436.db2.gz KAYBBWVVSBHSMM-UHFFFAOYSA-N 1 0 263.385 2.113 40 0 CEABRO Cn1cc2c(n1)[C@@H](COCC1CC1)C[N@@H+](CC1CC1)C2 ZINC000096059865 185080815 /nfs/dbraw/zinc/08/08/15/185080815.db2.gz JDUDVFQXSXKBOK-OAHLLOKOSA-N 1 0 275.396 2.156 40 0 CEABRO COC[C@@H]1C[N@H+](CC2CC2)Cc2nn(CC3CC3)cc21 ZINC000096060464 185081091 /nfs/dbraw/zinc/08/10/91/185081091.db2.gz XRHAUKRBIMBTAP-AWEZNQCLSA-N 1 0 275.396 2.249 40 0 CEABRO c1c2c(nn1CC1CC1)[C@@H](C[NH2+]Cc1cccnc1)OCC2 ZINC000096059752 185081940 /nfs/dbraw/zinc/08/19/40/185081940.db2.gz ZLZPUTRUEVUSKV-MRXNPFEDSA-N 1 0 298.390 2.092 40 0 CEABRO C[N@@H+]1CCC[C@]2(CCN(C(=O)c3ccsc3)C2)C1 ZINC000096071568 185086743 /nfs/dbraw/zinc/08/67/43/185086743.db2.gz XCLXNTAOOWJNGR-AWEZNQCLSA-N 1 0 264.394 2.306 40 0 CEABRO COc1ncccc1C[N@@H+]1CCC[C@@]2(C[C@H](C)CO2)C1 ZINC000096073319 185087873 /nfs/dbraw/zinc/08/78/73/185087873.db2.gz PZNARHRGJCPOAI-XJKSGUPXSA-N 1 0 276.380 2.481 40 0 CEABRO Cc1cccc(C[NH2+]C2CCC3(CCC(=O)N3C)CC2)n1 ZINC000096075820 185089167 /nfs/dbraw/zinc/08/91/67/185089167.db2.gz SKFHNFSOUDRFIG-UHFFFAOYSA-N 1 0 287.407 2.413 40 0 CEABRO COc1ccccc1C[N@H+]1CC[C@]2(C[C@@H](OC)CO2)C1 ZINC000096107686 185099696 /nfs/dbraw/zinc/09/96/96/185099696.db2.gz DQMDGMOIYJJWNS-ZBFHGGJFSA-N 1 0 277.364 2.075 40 0 CEABRO Cc1cncc(COCc2cnc3n2CC[N@@H+](C)[C@@H]3C)c1 ZINC000096109908 185100250 /nfs/dbraw/zinc/10/02/50/185100250.db2.gz ULZRUHXYFWYJJJ-CYBMUJFWSA-N 1 0 286.379 2.310 40 0 CEABRO c1ccc2c(c1)nc1n2[C@@H](C[NH2+]Cc2cccnc2)COC1 ZINC000096112707 185101191 /nfs/dbraw/zinc/10/11/91/185101191.db2.gz VMTOOBGTQBAGBS-AWEZNQCLSA-N 1 0 294.358 2.292 40 0 biogenic,in-vitro CEABRO O=C1C[C@@H]2[C@H](CC[N@@H+]2Cc2ccoc2)N1Cc1ccncc1 ZINC000096110715 185101562 /nfs/dbraw/zinc/10/15/62/185101562.db2.gz NMQAKDBSYCNCTJ-JKSUJKDBSA-N 1 0 297.358 2.050 40 0 CEABRO C[C@H]1CN([C@@H](C[NH3+])c2ccc(Cl)cc2)C[C@H](C)O1 ZINC000036100518 361827404 /nfs/dbraw/zinc/82/74/04/361827404.db2.gz AZNIWJXAYMFWFF-MJVIPROJSA-N 1 0 268.788 2.449 40 0 CEABRO Brc1cccnc1NC1CC[NH2+]CC1 ZINC000042376049 362089332 /nfs/dbraw/zinc/08/93/32/362089332.db2.gz VPPCVIMAWRBUCL-UHFFFAOYSA-N 1 0 256.147 2.008 40 0 CEABRO CCC(CC)NC(=O)c1cnc([C@H]2CCC[NH2+]2)nc1C ZINC000019766774 343374743 /nfs/dbraw/zinc/37/47/43/343374743.db2.gz HKUXQACHLKXLAN-CYBMUJFWSA-N 1 0 276.384 2.128 40 0 CEABRO CO[C@@H]1CC=C2CC[N@@H+]3CCC4=C(CCOC4)[C@]23C1 ZINC000001303481 343351018 /nfs/dbraw/zinc/35/10/18/343351018.db2.gz QUJGKXLFHIGUGU-ZBFHGGJFSA-N 1 0 261.365 2.287 40 0 CEABRO CCc1cc(N2CCc3ccccc3C2)nc(NC)[nH+]1 ZINC000329023582 136377549 /nfs/dbraw/zinc/37/75/49/136377549.db2.gz OVDIFOOTCMJGTD-UHFFFAOYSA-N 1 0 268.364 2.065 40 0 CEABRO [NH3+]Cc1cn(-c2ccc(OCc3ccccc3)cc2)nn1 ZINC000062261521 343670693 /nfs/dbraw/zinc/67/06/93/343670693.db2.gz PDFWBTWVSBOZBP-UHFFFAOYSA-N 1 0 280.331 2.305 40 0 CEABRO [NH3+]CCSCc1nc(=O)c2c3c(sc2[nH]1)CCCC3 ZINC000049466408 362364010 /nfs/dbraw/zinc/36/40/10/362364010.db2.gz DBXWIPUEJRUTSM-UHFFFAOYSA-N 1 0 295.433 2.055 40 0 CEABRO O=C(NC[C@@H]1CCC[NH2+]CC1)OCc1ccccc1 ZINC000110916057 344270333 /nfs/dbraw/zinc/27/03/33/344270333.db2.gz LHCWEHCOPSRXHH-CYBMUJFWSA-N 1 0 262.353 2.303 40 0 CEABRO c1csc(-c2cc(C[C@@H]3CCC[NH2+]C3)ncn2)n1 ZINC000205691055 344528653 /nfs/dbraw/zinc/52/86/53/344528653.db2.gz SVYHCLMTKMGORR-JTQLQIEISA-N 1 0 260.366 2.142 40 0 CEABRO Cc1ccc2[nH]c(=O)c(C[NH2+][C@H](CO)C(C)C)cc2c1 ZINC000585293236 345010568 /nfs/dbraw/zinc/01/05/68/345010568.db2.gz SNUQTUSSTJFELX-OAHLLOKOSA-N 1 0 274.364 2.355 40 0 CEABRO CCN1CC[NH2+][C@H](c2cccc(Br)c2)C1 ZINC000056894802 362563845 /nfs/dbraw/zinc/56/38/45/362563845.db2.gz BZUDSMCRMQDHGH-LBPRGKRZSA-N 1 0 269.186 2.415 40 0 CEABRO CC(C)Oc1ccc([C@H](O)C2(C[NH3+])CCOCC2)cc1 ZINC000085395723 179049337 /nfs/dbraw/zinc/04/93/37/179049337.db2.gz FEHDAESHDYWQGX-HNNXBMFYSA-N 1 0 279.380 2.263 40 0 CEABRO CC(C)(C)OC(=O)[C@H]1Cc2cccc3c2N1CC[NH+]=C3 ZINC000602985556 347266775 /nfs/dbraw/zinc/26/67/75/347266775.db2.gz MNUNTDLKYSKBEC-CYBMUJFWSA-N 1 0 272.348 2.192 40 0 CEABRO C[C@H]1CN(C(=O)c2cccc(C(F)(F)F)c2)CC[NH2+]1 ZINC000067799476 362924210 /nfs/dbraw/zinc/92/42/10/362924210.db2.gz BNFBKOCMHJZJQA-VIFPVBQESA-N 1 0 272.270 2.139 40 0 CEABRO COCc1cc(CC2([NH2+]CC3CCCCC3)COC2)no1 ZINC000067897960 362930314 /nfs/dbraw/zinc/93/03/14/362930314.db2.gz PZVXCVYZRSHRTM-UHFFFAOYSA-N 1 0 294.395 2.302 40 0 biogenic,in-vitro CEABRO Cn1cnc2c1cc(C1CC[NH2+]CC1)nc2NCC1CC1 ZINC000107493399 186175393 /nfs/dbraw/zinc/17/53/93/186175393.db2.gz QNVXDEMFNKAGKN-UHFFFAOYSA-N 1 0 285.395 2.257 40 0 CEABRO c1coc(CN2CC[C@H]3[C@H]2CC[N@H+]3CC2CCOCC2)c1 ZINC000107199313 186162494 /nfs/dbraw/zinc/16/24/94/186162494.db2.gz UBRITZGULJHKDT-DLBZAZTESA-N 1 0 290.407 2.355 40 0 CEABRO F[C@@H]1CC[NH2+]C[C@@]12CCN(Cc1ccsc1)C2 ZINC000107795656 186191027 /nfs/dbraw/zinc/19/10/27/186191027.db2.gz HJPXDVCQFIJSMF-CHWSQXEVSA-N 1 0 254.374 2.272 40 0 CEABRO CNC(=O)[C@@H]1CCC[C@@]12CC[N@H+](Cc1cccs1)C2 ZINC000108534968 186222059 /nfs/dbraw/zinc/22/20/59/186222059.db2.gz GHRGYHOTMDJJIQ-ZFWWWQNUSA-N 1 0 278.421 2.486 40 0 CEABRO Cc1ccc(F)cc1C[N@H+]1CC[C@@H]2OCCN(C)[C@H]2C1 ZINC000108529404 186222465 /nfs/dbraw/zinc/22/24/65/186222465.db2.gz BYOWABIPLBYZHN-HOTGVXAUSA-N 1 0 278.371 2.039 40 0 CEABRO O=C(Nc1cnn(C2CC[NH2+]CC2)c1)c1ccccc1 ZINC000070442959 363081807 /nfs/dbraw/zinc/08/18/07/363081807.db2.gz QMEVYUASXLDZKD-UHFFFAOYSA-N 1 0 270.336 2.060 40 0 CEABRO COC(=O)c1cccc(NC(=O)[C@H]2CCC[N@H+](C)C2)c1C ZINC000072865974 363171926 /nfs/dbraw/zinc/17/19/26/363171926.db2.gz XDJNSHRCAFNUPI-LBPRGKRZSA-N 1 0 290.363 2.062 40 0 CEABRO C[C@@H](O)c1cc(C[NH+](C)C)nc(-c2ccccc2)n1 ZINC000001593981 538735817 /nfs/dbraw/zinc/73/58/17/538735817.db2.gz NPFTYFLJQAXCJY-LLVKDONJSA-N 1 0 257.337 2.259 40 0 CEABRO COc1ccc([C@@H](O)[C@@H]([NH2+]CCO)c2ccccc2)cc1 ZINC000001594037 538736088 /nfs/dbraw/zinc/73/60/88/538736088.db2.gz TZIFCSOXBAJUGV-DLBZAZTESA-N 1 0 287.359 2.052 40 0 CEABRO CC(C)(C)OC(=O)N1CCCC[C@@H]1CSCC[NH3+] ZINC000079392236 363594185 /nfs/dbraw/zinc/59/41/85/363594185.db2.gz MDGGALZNGGIKFK-LLVKDONJSA-N 1 0 274.430 2.468 40 0 CEABRO CC(C)[N@H+](CCO)C1CCN(Cc2ccccc2)CC1 ZINC000079395100 363596200 /nfs/dbraw/zinc/59/62/00/363596200.db2.gz UWEGEBVJKPVVRO-UHFFFAOYSA-N 1 0 276.424 2.354 40 0 CEABRO [NH2+]=C1NC[C@@H]2c3ccccc3C(=O)c3ccccc3N12 ZINC000044699763 283409553 /nfs/dbraw/zinc/40/95/53/283409553.db2.gz ZLEUIRBHHWJTHP-CQSZACIVSA-N 1 0 263.300 2.107 40 0 in-vitro CEABRO [NH3+]CC1([C@@H](O)c2ccccc2Cl)CCOCC1 ZINC000085395767 283426165 /nfs/dbraw/zinc/42/61/65/283426165.db2.gz JLMAFCOMQATYML-LBPRGKRZSA-N 1 0 255.745 2.129 40 0 CEABRO C[C@@H](NC(=O)[C@H]1CCC[N@H+](C)C1)c1ccc(F)cc1 ZINC000081229411 363706339 /nfs/dbraw/zinc/70/63/39/363706339.db2.gz NFDYWPSMUKIVND-YPMHNXCESA-N 1 0 264.344 2.345 40 0 CEABRO c1nc2ncnc(NCCC[NH+]3CCCCCC3)c2[nH]1 ZINC000002719648 361246858 /nfs/dbraw/zinc/24/68/58/361246858.db2.gz QXVDNTUNTAOCEP-UHFFFAOYSA-N 1 0 274.372 2.031 40 0 CEABRO CC[C@@H]1NC(=[NH2+])NC(=N)N1c1ccc(Cl)c(Cl)c1 ZINC000001666574 361214754 /nfs/dbraw/zinc/21/47/54/361214754.db2.gz QUCCHVCOIPRXTC-SECBINFHSA-N 1 0 286.166 2.179 40 0 CEABRO COc1ccc(CC[NH2+][C@H]2CCCC[C@@H]2O)cc1OC ZINC000001719177 361219684 /nfs/dbraw/zinc/21/96/84/361219684.db2.gz CDPYHMWDRBWSEJ-KBPBESRZSA-N 1 0 279.380 2.139 40 0 CEABRO C[C@@H]1CCCC[N@@H+]1[C@@H]1CC(=O)N(c2ccccc2)C1=O ZINC000004019072 361297113 /nfs/dbraw/zinc/29/71/13/361297113.db2.gz XOJZOOPMSCPKHK-TZMCWYRMSA-N 1 0 272.348 2.193 40 0 CEABRO CCOC(=O)[C@@](C)([NH3+])[C@@H]1CCc2cc(OC)ccc2C1 ZINC000082048700 363749856 /nfs/dbraw/zinc/74/98/56/363749856.db2.gz RQIMIRAUSRNRCE-CJNGLKHVSA-N 1 0 277.364 2.081 40 0 CEABRO CCC(=O)N1CCc2cc([C@@H](O)C[NH+]3CCCC3)ccc21 ZINC000012181076 361374053 /nfs/dbraw/zinc/37/40/53/361374053.db2.gz IZRAIMQFVMKNHJ-INIZCTEOSA-N 1 0 288.391 2.115 40 0 CEABRO C[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(F)cc2F)C1 ZINC000082336774 363767874 /nfs/dbraw/zinc/76/78/74/363767874.db2.gz FVASUJIRQBSLBJ-SECBINFHSA-N 1 0 254.280 2.245 40 0 CEABRO O=C(C[NH+]1CCC(c2ccc(F)cc2)CC1)NC1CC1 ZINC000012113957 361373579 /nfs/dbraw/zinc/37/35/79/361373579.db2.gz GYGKMCSGRCJSSY-UHFFFAOYSA-N 1 0 276.355 2.284 40 0 CEABRO C[C@H](Sc1ccccc1)C(=O)NCCC[NH+](C)C ZINC000013671248 361435906 /nfs/dbraw/zinc/43/59/06/361435906.db2.gz ZPCMNNDRKXNABP-LBPRGKRZSA-N 1 0 266.410 2.235 40 0 CEABRO O=C1C[C@@H](c2ccc(Cl)cc2)CN1C1CC[NH2+]CC1 ZINC000016697615 361497346 /nfs/dbraw/zinc/49/73/46/361497346.db2.gz YYXZYJPEQZYSPG-GFCCVEGCSA-N 1 0 278.783 2.408 40 0 CEABRO CNC(=O)[C@]1(C)CCC[N@H+](CCOc2ccc(C)cc2)C1 ZINC000019746653 361550734 /nfs/dbraw/zinc/55/07/34/361550734.db2.gz UJBUBNFCUQBXAM-QGZVFWFLSA-N 1 0 290.407 2.222 40 0 CEABRO [NH3+][C@H]1CC[C@H]2CN(C(=O)c3cccc(Cl)c3F)C[C@H]21 ZINC000186918596 189454496 /nfs/dbraw/zinc/45/44/96/189454496.db2.gz IUGMZAASTARHHW-XRNSZHNASA-N 1 0 282.746 2.288 40 0 CEABRO CC(C)(C)OC(=O)N[C@H]1CC[C@@H]2C[NH2+]CC[C@@H]2C1 ZINC000095929110 364392592 /nfs/dbraw/zinc/39/25/92/364392592.db2.gz WHEIPTOAHBZDTP-UTUOFQBUSA-N 1 0 254.374 2.289 40 0 CEABRO Cc1cccc2c1nc1n2[C@@H](C[NH2+]C(C)C)COC1 ZINC000096112648 364399319 /nfs/dbraw/zinc/39/93/19/364399319.db2.gz PQFJIKAGXMFFKQ-LBPRGKRZSA-N 1 0 259.353 2.414 40 0 biogenic,in-vitro CEABRO CO[C@@H]1COC2(C1)CC[NH+](Cc1c(C)noc1C)CC2 ZINC000096158767 364402581 /nfs/dbraw/zinc/40/25/81/364402581.db2.gz DEFDZINJINBHQY-ZDUSSCGKSA-N 1 0 280.368 2.061 40 0 CEABRO Cc1ccc(CN2CCO[C@H]3C[N@@H+](CC(C)C)C[C@H]32)o1 ZINC000096248806 364416271 /nfs/dbraw/zinc/41/62/71/364416271.db2.gz QFZULKYZOXAHAH-CVEARBPZSA-N 1 0 278.396 2.129 40 0 CEABRO C[N@@H+]1CC[C@@]2(c3ccccc3)CCN(C(=O)NC3CC3)C[C@H]12 ZINC000096251830 364416607 /nfs/dbraw/zinc/41/66/07/364416607.db2.gz UHTREDXJIPCEJL-WMZOPIPTSA-N 1 0 299.418 2.206 40 0 CEABRO CCN(C(=O)OC(C)(C)C)[C@H]1CC[C@H]([NH2+]CCO)CC1 ZINC000100178453 364540972 /nfs/dbraw/zinc/54/09/72/364540972.db2.gz GWSDVDIEKVCTQD-BETUJISGSA-N 1 0 286.416 2.137 40 0 CEABRO CC[NH+](CC)CC[C@@H]1CN(C(=O)C(C)C)Cc2cncn21 ZINC000585096451 367177110 /nfs/dbraw/zinc/17/71/10/367177110.db2.gz ODXZEDRQESJOBF-CQSZACIVSA-N 1 0 292.427 2.154 40 0 CEABRO CCCNC(=O)C1=NO[C@@]2(C1)CCC[N@H+](CCC(C)C)C2 ZINC000585101209 367177218 /nfs/dbraw/zinc/17/72/18/367177218.db2.gz OBCULYIJHIEIKN-MRXNPFEDSA-N 1 0 295.427 2.170 40 0 CEABRO CC(C)N1C[C@@]2(CCC[N@H+](CC3CC(F)(F)C3)C2)C1=O ZINC000585099333 367177425 /nfs/dbraw/zinc/17/74/25/367177425.db2.gz FYTLARQUYQUGKZ-AWEZNQCLSA-N 1 0 286.366 2.365 40 0 CEABRO CCN(C(=O)OC(C)(C)C)[C@@H]1CCCC[C@@H]1[NH2+]CCO ZINC000079408044 284193366 /nfs/dbraw/zinc/19/33/66/284193366.db2.gz ASXWETUXLKEGQI-QWHCGFSZSA-N 1 0 286.416 2.137 40 0 CEABRO [NH3+][C@H]1[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218569669 370211181 /nfs/dbraw/zinc/21/11/81/370211181.db2.gz QBHRHUYTHPDMPB-KKUMJFAQSA-N 1 0 291.347 2.093 40 0 CEABRO Cc1ccc(Nc2cc(C)nc(N3CC[NH2+]CC3)n2)cc1 ZINC000217504902 370196597 /nfs/dbraw/zinc/19/65/97/370196597.db2.gz RVQUEDRMLIIAPV-UHFFFAOYSA-N 1 0 283.379 2.247 40 0 CEABRO C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCC[NH+](C)C ZINC000223595306 370268740 /nfs/dbraw/zinc/26/87/40/370268740.db2.gz FTXOXJUNHQZFBX-ZDUSSCGKSA-N 1 0 290.407 2.011 40 0 CEABRO CNc1cc([C@H]2CCCN(c3ccncn3)C2)ccn1 ZINC000257263002 371609646 /nfs/dbraw/zinc/60/96/46/371609646.db2.gz LNXZFMOIEONQEC-ZDUSSCGKSA-N 1 0 269.352 2.297 40 0 CEABRO Cc1c[nH]c([C@@H]2COCCN2Cc2ccsc2)n1 ZINC000257299354 371611584 /nfs/dbraw/zinc/61/15/84/371611584.db2.gz RPRHVEIFUQUMAH-LBPRGKRZSA-N 1 0 263.366 2.353 40 0 CEABRO Cc1c(C[NH2+]Cc2cnn(C3CCCC3)c2)cnn1C ZINC000256051179 190003637 /nfs/dbraw/zinc/00/36/37/190003637.db2.gz IASKGSBOJFFAHW-UHFFFAOYSA-N 1 0 273.384 2.330 40 0 CEABRO FCCn1nccc1C[NH2+]Cc1cccc(F)c1 ZINC000256051646 190003861 /nfs/dbraw/zinc/00/38/61/190003861.db2.gz KADPHFGQUTUIEB-UHFFFAOYSA-N 1 0 251.280 2.282 40 0 CEABRO Oc1cccc(C[NH2+]Cc2ccnn2CC(F)(F)F)c1 ZINC000256052378 190004626 /nfs/dbraw/zinc/00/46/26/190004626.db2.gz NBVPMXVUICCSOG-UHFFFAOYSA-N 1 0 285.269 2.441 40 0 CEABRO Cc1cc(Nc2ncccc2C)nc([C@H]2CC[NH2+]C2)n1 ZINC000257211347 190012522 /nfs/dbraw/zinc/01/25/22/190012522.db2.gz BYNVAIYXFGEHLT-LBPRGKRZSA-N 1 0 269.352 2.309 40 0 CEABRO Cc1c[nH]c([C@@H]2CCC[N@H+](Cc3ccccn3)C2)n1 ZINC000257214261 190013518 /nfs/dbraw/zinc/01/35/18/190013518.db2.gz CLHNKVHCOOTQFK-CYBMUJFWSA-N 1 0 256.353 2.493 40 0 CEABRO CCc1[nH]nc(C(=O)N2CCC[C@]3(C)[NH2+]CCC[C@@H]23)c1C ZINC000257219597 190013901 /nfs/dbraw/zinc/01/39/01/190013901.db2.gz DHJBYYIOPTVQCT-CJNGLKHVSA-N 1 0 290.411 2.027 40 0 CEABRO CCn1nccc1-c1cnc([C@@H]2CCC[N@@H+]2C)cn1 ZINC000257224549 190015700 /nfs/dbraw/zinc/01/57/00/190015700.db2.gz FCGINBSAMSOYLW-ZDUSSCGKSA-N 1 0 257.341 2.127 40 0 CEABRO CCN(CC[NH+](C)C)Cc1cnc([C@@H]2CCCCO2)nc1 ZINC000257254576 190020902 /nfs/dbraw/zinc/02/09/02/190020902.db2.gz KDSOIRGQFAFWRC-HNNXBMFYSA-N 1 0 292.427 2.102 40 0 CEABRO COc1ccccc1C(=O)N1CCC[C@H]2[NH2+]CCC[C@@]21C ZINC000257271551 190023923 /nfs/dbraw/zinc/02/39/23/190023923.db2.gz MYTSXFQFXKJRMZ-WBVHZDCISA-N 1 0 288.391 2.442 40 0 CEABRO c1cc(Nc2cnccn2)nc([C@@H]2CCC[NH2+]C2)c1 ZINC000257268237 190024122 /nfs/dbraw/zinc/02/41/22/190024122.db2.gz MKTZLSHBEQUTJJ-LLVKDONJSA-N 1 0 255.325 2.082 40 0 CEABRO Cc1cc(-c2cnc(C[C@H]3CC[N@@H+](C(C)C)C3)cn2)n[nH]1 ZINC000257273978 190024919 /nfs/dbraw/zinc/02/49/19/190024919.db2.gz NJAHNQXYGRUQGL-CYBMUJFWSA-N 1 0 285.395 2.448 40 0 CEABRO COc1ccc([C@H]2C[NH2+]CCN2Cc2nccs2)cc1 ZINC000257310225 190031655 /nfs/dbraw/zinc/03/16/55/190031655.db2.gz UEFYZNLMYDWBBJ-CQSZACIVSA-N 1 0 289.404 2.298 40 0 CEABRO O=C1CCCC[C@@H]2[NH2+][C@@H](Cc3ccccc3F)C[C@H]2N1 ZINC000257294593 190028653 /nfs/dbraw/zinc/02/86/53/190028653.db2.gz QUVHWSQEFDRBAV-AEGPPILISA-N 1 0 276.355 2.158 40 0 CEABRO Cc1noc(C)c1CC(=O)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000257297049 190028882 /nfs/dbraw/zinc/02/88/82/190028882.db2.gz RFOQHVDNVXKYJK-INIZCTEOSA-N 1 0 299.374 2.007 40 0 CEABRO O=C(C1CC[NH2+]CC1)N1CCC[C@@H]1CCc1ccncc1 ZINC000257302022 190030386 /nfs/dbraw/zinc/03/03/86/190030386.db2.gz SBALADRMMBSBEN-MRXNPFEDSA-N 1 0 287.407 2.005 40 0 CEABRO CCn1nccc1-c1ncccc1C[C@H]1CC[NH2+]C1 ZINC000257315833 190032539 /nfs/dbraw/zinc/03/25/39/190032539.db2.gz VCYJSAWYWWMRCE-GFCCVEGCSA-N 1 0 256.353 2.117 40 0 CEABRO Cc1nc[nH]c1C[N@@H+]1CCC[C@H](c2ccc3c[nH]nc3n2)C1 ZINC000257317849 190032891 /nfs/dbraw/zinc/03/28/91/190032891.db2.gz VLLGSVSFJHNQKH-ZDUSSCGKSA-N 1 0 296.378 2.369 40 0 CEABRO Cc1ncoc1C(=O)N1CCC[C@]2(C)[NH2+]CCCC[C@H]12 ZINC000257328741 190034980 /nfs/dbraw/zinc/03/49/80/190034980.db2.gz XGXDHMYEHGQSQN-WFASDCNBSA-N 1 0 277.368 2.120 40 0 CEABRO CC(=O)N1C[C@@H](c2ccccc2)[C@@H]2[NH2+]CCCC[C@@H]21 ZINC000257331032 190035366 /nfs/dbraw/zinc/03/53/66/190035366.db2.gz XRCJXOIRJWZNQM-JYJNAYRXSA-N 1 0 258.365 2.143 40 0 CEABRO C[N@@H+]1CCCCC[C@@H]2N(c3ncccn3)CC[C@@]21C ZINC000257336370 190036603 /nfs/dbraw/zinc/03/66/03/190036603.db2.gz YODITIKOMYEMCM-ZFWWWQNUSA-N 1 0 260.385 2.320 40 0 CEABRO O=C(N[C@@H]1CC[NH2+]CC[C@@H]1F)OCc1ccccc1 ZINC000261508638 190040278 /nfs/dbraw/zinc/04/02/78/190040278.db2.gz VLEBJDUSYLRIHB-QWHCGFSZSA-N 1 0 266.316 2.003 40 0 CEABRO O=C(c1ccsc1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000261577425 190041107 /nfs/dbraw/zinc/04/11/07/190041107.db2.gz OICXTQSVSMWVJM-UHFFFAOYSA-N 1 0 264.394 2.354 40 0 CEABRO Cc1ccc(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2ccccn2)nn1 ZINC000306127593 376540271 /nfs/dbraw/zinc/54/02/71/376540271.db2.gz GCYODMMXAMATDJ-HZPDHXFCSA-N 1 0 295.390 2.033 40 0 CEABRO O=C1CCC[C@]2(CCC[N@@H+](Cc3ccc(F)cc3)C2)N1 ZINC000096049943 296321962 /nfs/dbraw/zinc/32/19/62/296321962.db2.gz RHZNYTVNCMYEST-MRXNPFEDSA-N 1 0 276.355 2.460 40 0 CEABRO CCN1Cc2ccccc2CC2(CC[NH+](C)CC2)C1=O ZINC000096243394 256830856 /nfs/dbraw/zinc/83/08/56/256830856.db2.gz SCNPWVSUJHVUPY-UHFFFAOYSA-N 1 0 272.392 2.303 40 0 CEABRO CC(C)[N@H+]1C[C@H]2c3cnc(NCC4CC4)nc3C[C@@H]2C1 ZINC000306144976 394513717 /nfs/dbraw/zinc/51/37/17/394513717.db2.gz ZTUHRCQNILDEKU-TZMCWYRMSA-N 1 0 272.396 2.278 40 0 CEABRO COc1c2c(c(C(F)F)c3c1C[N@H+](C)CC3)OCO2 ZINC000242390143 394495832 /nfs/dbraw/zinc/49/58/32/394495832.db2.gz AAJCQVZATBJHCH-UHFFFAOYSA-N 1 0 271.263 2.349 40 0 CEABRO CC[N@@H+]1CCC[C@@H]1c1cccnc1N1CCOCC1 ZINC000072216213 394593616 /nfs/dbraw/zinc/59/36/16/394593616.db2.gz FGXWEXFSRCNSDW-CQSZACIVSA-N 1 0 261.369 2.075 40 0 CEABRO Cc1cccc(N2CCO[C@H](c3cc(N)cc(C)[nH+]3)C2)n1 ZINC000257257615 394595473 /nfs/dbraw/zinc/59/54/73/394595473.db2.gz KQKUAJLDKYKBLT-HNNXBMFYSA-N 1 0 284.363 2.254 40 0 CEABRO CC[C@H]([C@@H]([NH3+])c1cccc(F)c1)S(=O)(=O)CC ZINC000096524966 394697313 /nfs/dbraw/zinc/69/73/13/394697313.db2.gz CWRWGXOIIGZXRM-NEPJUHHUSA-N 1 0 259.346 2.039 40 0 CEABRO O=C1Nc2cc(C(F)(F)F)ccc2C12CC[NH2+]CC2 ZINC000521396014 395254955 /nfs/dbraw/zinc/25/49/55/395254955.db2.gz DTYRHYOJHNVJLM-UHFFFAOYSA-N 1 0 270.254 2.279 40 0 CEABRO CC(C)(C)OC(=O)N1C[C@@H](C[NH3+])[C@](C)(C(F)(F)F)C1 ZINC000199784309 400297384 /nfs/dbraw/zinc/29/73/84/400297384.db2.gz DRBPWTVZJTZWFG-LDYMZIIASA-N 1 0 282.306 2.381 40 0 CEABRO C[C@H](Cc1ccccc1)N(C)C(=O)c1ccc[n+](C)c1 ZINC000006494138 170206571 /nfs/dbraw/zinc/20/65/71/170206571.db2.gz USSWMIVOKSSTDM-CQSZACIVSA-N 1 0 269.368 2.214 40 0 CEABRO OCC[C@@H](c1ccc2c(c1)OCO2)[NH+]1CCCCC1 ZINC000006567547 170214125 /nfs/dbraw/zinc/21/41/25/170214125.db2.gz TUDVXGNOHPTXJN-ZDUSSCGKSA-N 1 0 263.337 2.325 40 0 CEABRO CCCCOC[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000008844775 170357397 /nfs/dbraw/zinc/35/73/97/170357397.db2.gz OEEALKPMNGSFLR-MRXNPFEDSA-N 1 0 263.381 2.222 40 0 CEABRO COc1ccccc1-c1nnc([C@@H]2CCC[NH2+]C2)o1 ZINC000032110954 171703424 /nfs/dbraw/zinc/70/34/24/171703424.db2.gz VURAKLCQHNRENE-SNVBAGLBSA-N 1 0 259.309 2.212 40 0 CEABRO COc1cccc([C@@H](C[NH3+])N2CCC(C)CC2)c1OC ZINC000038785091 174155170 /nfs/dbraw/zinc/15/51/70/174155170.db2.gz KURISMJAGCSGDW-CQSZACIVSA-N 1 0 278.396 2.436 40 0 CEABRO CCOC(C[NH2+]Cc1ccc(OC)c(OC)c1)OCC ZINC000039216600 174165990 /nfs/dbraw/zinc/16/59/90/174165990.db2.gz VCYBWVMTJGBVEU-UHFFFAOYSA-N 1 0 283.368 2.193 40 0 CEABRO Cc1nccn1-c1cccc([C@H]2CCC[N@@H+](C)C2)n1 ZINC000072355668 176375024 /nfs/dbraw/zinc/37/50/24/176375024.db2.gz CMHJUKZFOODYNP-ZDUSSCGKSA-N 1 0 256.353 2.385 40 0 CEABRO Cc1cc(Nc2ncccn2)nc([C@@H]2CCC[N@@H+](C)C2)n1 ZINC000072359945 176376944 /nfs/dbraw/zinc/37/69/44/176376944.db2.gz LKOFNRCYYAMZTH-GFCCVEGCSA-N 1 0 284.367 2.128 40 0 CEABRO C[N@@H+]1CCC[C@H](c2cnc(Nc3nccs3)cn2)C1 ZINC000072361543 176377880 /nfs/dbraw/zinc/37/78/80/176377880.db2.gz LRKNQVBPEFZRQM-JTQLQIEISA-N 1 0 275.381 2.486 40 0 CEABRO CNc1nccnc1C1CC[NH+](Cc2ccncc2)CC1 ZINC000072363779 176378473 /nfs/dbraw/zinc/37/84/73/176378473.db2.gz MIDAIODCXPUEOT-UHFFFAOYSA-N 1 0 283.379 2.293 40 0 CEABRO c1ccc(-c2cc(C[NH+]3CCCC3)c3nnnn3c2)cc1 ZINC000072373699 176385005 /nfs/dbraw/zinc/38/50/05/176385005.db2.gz WZKCXICUKIWMTQ-UHFFFAOYSA-N 1 0 279.347 2.387 40 0 CEABRO CNc1ccc(C[C@H]2CCC[N@H+](Cc3cccnc3)C2)nn1 ZINC000072387312 176392764 /nfs/dbraw/zinc/39/27/64/176392764.db2.gz UKEPVTDTKSSVIU-CQSZACIVSA-N 1 0 297.406 2.368 40 0 CEABRO CC(C)(C)OC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000096958505 277181538 /nfs/dbraw/zinc/18/15/38/277181538.db2.gz HPBKCERYOZOMSM-LBPRGKRZSA-N 1 0 254.374 2.243 40 0 CEABRO CC(C)(C)OC(=O)N1CC[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000075629536 278404556 /nfs/dbraw/zinc/40/45/56/278404556.db2.gz NXUPFJYYZIGTJY-IUCAKERBSA-N 1 0 282.306 2.381 40 0 CEABRO CC[NH+](CC)CCCNC(=O)c1c(F)cccc1F ZINC000006555537 279099307 /nfs/dbraw/zinc/09/93/07/279099307.db2.gz GFMZJCFLVNFKDI-UHFFFAOYSA-N 1 0 270.323 2.427 40 0 CEABRO CC(C)N(C(=O)OC(C)(C)C)[C@H]1CCC[N@H+](CCO)C1 ZINC000079408103 279299509 /nfs/dbraw/zinc/29/95/09/279299509.db2.gz RVHXBXMKCHWOOA-ZDUSSCGKSA-N 1 0 286.416 2.089 40 0 CEABRO [NH3+][C@H](C(=O)N1Cc2ccccc2C1)C1CCCCC1 ZINC000014949355 279682350 /nfs/dbraw/zinc/68/23/50/279682350.db2.gz SUSVSQMWKFICCC-HNNXBMFYSA-N 1 0 258.365 2.436 40 0 CEABRO COc1ccc([C@@]23CCC(=O)N2[C@@H]2CCCC[C@@H]2[NH2+]3)cc1 ZINC000059605617 295233060 /nfs/dbraw/zinc/23/30/60/295233060.db2.gz ZCQCHXXNRLTQGO-ZMSDIMECSA-N 1 0 286.375 2.385 40 0 CEABRO CC(C)Nc1ncc(C[NH2+]C[C@@H](O)c2ccccc2)cn1 ZINC000062717626 333175834 /nfs/dbraw/zinc/17/58/34/333175834.db2.gz CLXZRCQMBMYQIM-OAHLLOKOSA-N 1 0 286.379 2.120 40 0 CEABRO CC[NH+](CC)CCCN[C@H](C)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000013561973 520623840 /nfs/dbraw/zinc/62/38/40/520623840.db2.gz HXTWJHKANGPBIS-OWCLPIDISA-N 1 0 297.487 2.201 40 0 CEABRO C[NH2+]C[C@H]1C[C@@H]1c1c(OC)cc(OC)cc1OC ZINC000054588955 522096758 /nfs/dbraw/zinc/09/67/58/522096758.db2.gz GVUDXUPKTVRUKO-KOLCDFICSA-N 1 0 251.326 2.035 40 0 CEABRO COc1ccc2ccccc2c1[C@@H]1C[C@@]1(C[NH3+])CO ZINC000062713362 525652359 /nfs/dbraw/zinc/65/23/59/525652359.db2.gz BRZRBCPNZPAFJJ-XJKSGUPXSA-N 1 0 257.333 2.273 40 0 CEABRO COC(=O)[C@H]1C[NH2+]C[C@H]1c1ccc(C)cc1Cl ZINC000409423983 623496006 /nfs/dbraw/zinc/49/60/06/623496006.db2.gz WMGICSLBYXLPRF-QWRGUYRKSA-N 1 0 253.729 2.124 40 0 CEABRO COc1ccc(CNC(=O)OC(C)(C)C)c(C[NH3+])c1 ZINC000095775063 185028287 /nfs/dbraw/zinc/02/82/87/185028287.db2.gz OEYPEJHSHYZRLF-UHFFFAOYSA-N 1 0 266.341 2.179 40 0 CEABRO c1cncc(C[N@@H+]2CC[C@H]3C[C@@H](c4ccncn4)O[C@@H]3C2)c1 ZINC000096046326 185071854 /nfs/dbraw/zinc/07/18/54/185071854.db2.gz GNMKHTUKZWUTOC-BHYGNILZSA-N 1 0 296.374 2.224 40 0 CEABRO c1cncc(CN2CC3C[NH+](Cc4cccnc4)CC3C2)c1 ZINC000096053741 185074232 /nfs/dbraw/zinc/07/42/32/185074232.db2.gz MUGAKAARWHXDJS-UHFFFAOYSA-N 1 0 294.402 2.040 40 0 CEABRO CCOC[C@]12CCCO[C@@H]1CC[N@H+](Cc1cccnc1)C2 ZINC000096056808 185078023 /nfs/dbraw/zinc/07/80/23/185078023.db2.gz QGEMVTUHWNOLFE-IAGOWNOFSA-N 1 0 290.407 2.489 40 0 CEABRO CCN(C)c1ncnc2c1CC[N@H+](Cc1ccoc1)CC2 ZINC000096058789 185079399 /nfs/dbraw/zinc/07/93/99/185079399.db2.gz IZDOXZPHHSSYTH-UHFFFAOYSA-N 1 0 286.379 2.127 40 0 CEABRO F[C@H]1CC[NH2+]C[C@]12CCN(Cc1ccsc1)C2 ZINC000096078746 185089195 /nfs/dbraw/zinc/08/91/95/185089195.db2.gz HJPXDVCQFIJSMF-STQMWFEESA-N 1 0 254.374 2.272 40 0 CEABRO CCOC[C@]12COC[C@H]1C[N@H+](Cc1ccccc1OC)C2 ZINC000096108674 185099254 /nfs/dbraw/zinc/09/92/54/185099254.db2.gz QWZPHFFFWUUZAJ-NVXWUHKLSA-N 1 0 291.391 2.180 40 0 CEABRO C[NH+](C)CCC1CCN(c2ccnc(Cl)n2)CC1 ZINC000038579641 361987047 /nfs/dbraw/zinc/98/70/47/361987047.db2.gz OIPWMLZIQCRCMZ-UHFFFAOYSA-N 1 0 268.792 2.298 40 0 CEABRO C[C@@H]1CCC[N@H+](CCCNC(=O)C2CCCC2)C1 ZINC000046960002 362191680 /nfs/dbraw/zinc/19/16/80/362191680.db2.gz FHYVGIFKIHUBBH-CYBMUJFWSA-N 1 0 252.402 2.415 40 0 CEABRO CCc1cc(N2CCc3cc(OC)ccc3C2)nc(NC)[nH+]1 ZINC000329006833 136377379 /nfs/dbraw/zinc/37/73/79/136377379.db2.gz LGQOMZXLQVDQMW-UHFFFAOYSA-N 1 0 298.390 2.074 40 0 CEABRO c1cncc(-c2nnc([C@H]3CC[N@@H+](C4CCC4)C3)o2)c1 ZINC000049169650 362343075 /nfs/dbraw/zinc/34/30/75/362343075.db2.gz CZGWCOYWQNUJPD-LBPRGKRZSA-N 1 0 270.336 2.473 40 0 biogenic,in-vitro CEABRO COc1cc(OC)cc([C@@H](C[NH3+])N2CCC[C@H](C)C2)c1 ZINC000108349990 344265105 /nfs/dbraw/zinc/26/51/05/344265105.db2.gz MICPJGHFZAGIHR-BLLLJJGKSA-N 1 0 278.396 2.436 40 0 CEABRO c1cc(COCC[C@H]2CCOC23CC[NH2+]CC3)ccn1 ZINC000585104294 345005917 /nfs/dbraw/zinc/00/59/17/345005917.db2.gz GUSJMGXDOWIOJM-HNNXBMFYSA-N 1 0 276.380 2.147 40 0 CEABRO CC(C)[N@@H+]1CCC[C@@H]1c1cncc(-c2nccn2C)n1 ZINC000585178864 345009202 /nfs/dbraw/zinc/00/92/02/345009202.db2.gz UBYVYLCPNQCPSL-CQSZACIVSA-N 1 0 271.368 2.422 40 0 CEABRO COC1(COc2cccc(Cl)c2)CC[NH2+]CC1 ZINC000585273515 345009346 /nfs/dbraw/zinc/00/93/46/345009346.db2.gz WLHZTUQJOPFWND-UHFFFAOYSA-N 1 0 255.745 2.487 40 0 CEABRO O=C1CC[C@]2(CCC[N@H+](CCOc3ccccc3)C2)O1 ZINC000585282260 345009908 /nfs/dbraw/zinc/00/99/08/345009908.db2.gz CFFRVEKENJRPCS-INIZCTEOSA-N 1 0 275.348 2.237 40 0 CEABRO C[C@]12CC[N@H+](CC3(O)CCCCC3)[C@H]1CCCCC(=O)N2 ZINC000585283492 345009913 /nfs/dbraw/zinc/00/99/13/345009913.db2.gz OTGAWZIMVBMYFL-HOCLYGCPSA-N 1 0 294.439 2.205 40 0 CEABRO Cc1n[nH]cc1C[N@@H+]1CC[C@H](Cc2ccccc2)[C@H](O)C1 ZINC000585278836 345010015 /nfs/dbraw/zinc/01/00/15/345010015.db2.gz HJDNJVMBIFAZFY-NVXWUHKLSA-N 1 0 285.391 2.144 40 0 CEABRO Cc1cncc(C[N@@H+]2CCC[C@]3(CCC(=O)O3)C2)c1 ZINC000585283457 345010033 /nfs/dbraw/zinc/01/00/33/345010033.db2.gz OMCFLNJKXHQWGN-HNNXBMFYSA-N 1 0 260.337 2.062 40 0 CEABRO C[C@H]1C[NH2+]CCN1C(=O)c1cccc2ccccc21 ZINC000054369850 362532643 /nfs/dbraw/zinc/53/26/43/362532643.db2.gz HBCNALGUZITGTQ-LBPRGKRZSA-N 1 0 254.333 2.274 40 0 CEABRO CCNc1ncc(C[NH2+]CCc2ccc(F)cc2)cn1 ZINC000062717543 362720738 /nfs/dbraw/zinc/72/07/38/362720738.db2.gz WHPPHLHAIHOOJD-UHFFFAOYSA-N 1 0 274.343 2.380 40 0 CEABRO c1coc(C[N@@H+]2CCC[C@]3(C[C@@H](n4ccnc4)CO3)C2)c1 ZINC000107731326 186189080 /nfs/dbraw/zinc/18/90/80/186189080.db2.gz ODJOIXLINXIUPZ-ZBFHGGJFSA-N 1 0 287.363 2.472 40 0 CEABRO COC[C@@]12CCCO[C@H]1CC[N@H+](Cc1c(C)noc1C)C2 ZINC000107711053 186188143 /nfs/dbraw/zinc/18/81/43/186188143.db2.gz GZUKRQBPKZRFIF-HOTGVXAUSA-N 1 0 294.395 2.309 40 0 CEABRO O=C([C@H]1CCC[C@]12CC[N@H+](CC1CC1)C2)N1CC(F)(F)C1 ZINC000108531109 186221588 /nfs/dbraw/zinc/22/15/88/186221588.db2.gz HKEHDJZHPRFTIW-UKRRQHHQSA-N 1 0 298.377 2.366 40 0 CEABRO CNC(=O)[C@H]1CCC[C@]12CC[N@H+](Cc1ncccc1C)C2 ZINC000108530796 186221885 /nfs/dbraw/zinc/22/18/85/186221885.db2.gz LTDMHYXTONCYPG-RHSMWYFYSA-N 1 0 287.407 2.128 40 0 CEABRO Cc1ccccc1OC[C@H](C)NC(=O)[C@H]1CCC[N@H+](C)C1 ZINC000073048711 363194182 /nfs/dbraw/zinc/19/41/82/363194182.db2.gz QZJQGRTYWPIMOH-GJZGRUSLSA-N 1 0 290.407 2.220 40 0 CEABRO Cc1ccccc1OC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](C)C1 ZINC000073048701 363194469 /nfs/dbraw/zinc/19/44/69/363194469.db2.gz QZJQGRTYWPIMOH-HUUCEWRRSA-N 1 0 290.407 2.220 40 0 CEABRO CN(Cc1ccccc1)C(=O)CC1CC[NH+](C)CC1 ZINC000074920913 363418847 /nfs/dbraw/zinc/41/88/47/363418847.db2.gz RBZYQVKYPATAFY-UHFFFAOYSA-N 1 0 260.381 2.377 40 0 CEABRO C[NH+]1CCC(CC(=O)N2CCc3ccccc3C2)CC1 ZINC000074920925 363419035 /nfs/dbraw/zinc/41/90/35/363419035.db2.gz XGRCVXPGBILAHE-UHFFFAOYSA-N 1 0 272.392 2.303 40 0 CEABRO CC(C)[C@H]([NH3+])C(=O)N([C@H](C)c1ccccn1)C1CC1 ZINC000079421854 363598098 /nfs/dbraw/zinc/59/80/98/363598098.db2.gz FTHVYNIPQBPTRL-RISCZKNCSA-N 1 0 261.369 2.117 40 0 CEABRO CC(C)[NH2+][C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000079437212 363600288 /nfs/dbraw/zinc/60/02/88/363600288.db2.gz QJXGPAHGAGNFQY-AWEZNQCLSA-N 1 0 262.353 2.396 40 0 CEABRO C[C@@H]([NH3+])CN1CCc2sc(Br)cc2C1 ZINC000095097554 296020328 /nfs/dbraw/zinc/02/03/28/296020328.db2.gz DDPNLWPHIJPPCB-SSDOTTSWSA-N 1 0 275.215 2.216 40 0 CEABRO [NH3+]C[C@H](O)CSc1ccc(Cl)c(Cl)c1 ZINC000001567419 361208892 /nfs/dbraw/zinc/20/88/92/361208892.db2.gz LOWQSAJOHJTFNH-LURJTMIESA-N 1 0 252.166 2.405 40 0 CEABRO CC[C@H](C)c1ccccc1OC[C@H](O)C[NH2+]C(C)(C)CO ZINC000002694553 361245294 /nfs/dbraw/zinc/24/52/94/361245294.db2.gz AGPAYWCUBYITJP-UONOGXRCSA-N 1 0 295.423 2.300 40 0 CEABRO C[C@@H]([NH2+]C(C)(C)CO)C(=O)c1cccc(Cl)c1 ZINC000003869640 361292083 /nfs/dbraw/zinc/29/20/83/361292083.db2.gz AKOAEVOSDHIVFX-SECBINFHSA-N 1 0 255.745 2.272 40 0 endogenous,world CEABRO Cc1cccc(-c2nc(C)cc(N3CC[NH2+]CC3)n2)c1 ZINC000006833927 361338914 /nfs/dbraw/zinc/33/89/14/361338914.db2.gz LTQPKMQOUQSKCO-UHFFFAOYSA-N 1 0 268.364 2.170 40 0 CEABRO CCOc1ccccc1NC(=O)[C@@H]1CCC[N@H+](C)C1 ZINC000082326027 363765444 /nfs/dbraw/zinc/76/54/44/363765444.db2.gz XDEIKPCOHKPNLE-GFCCVEGCSA-N 1 0 262.353 2.366 40 0 CEABRO Cc1nc([C@@H]2CC[N@H+](Cc3ccccc3)C2)cc(=O)[nH]1 ZINC000019285266 361526457 /nfs/dbraw/zinc/52/64/57/361526457.db2.gz GSLXRSXVXKOFMX-CQSZACIVSA-N 1 0 269.348 2.068 40 0 CEABRO Cn1nc(C[NH+](C)C)c(-c2ccc(Cl)cc2)c1N ZINC000026511959 361642667 /nfs/dbraw/zinc/64/26/67/361642667.db2.gz GNFZVXPHFAMDJB-UHFFFAOYSA-N 1 0 264.760 2.384 40 0 CEABRO C[NH+](C)Cc1[nH]nc(N)c1-c1ccc(Cl)cc1 ZINC000026511510 361643251 /nfs/dbraw/zinc/64/32/51/361643251.db2.gz GHASUEXQAKKSHT-UHFFFAOYSA-N 1 0 250.733 2.374 40 0 CEABRO COc1ccc2c(c1)[C@@H](O)[C@H]([NH2+]Cc1ccccc1)C2 ZINC000031912100 361722473 /nfs/dbraw/zinc/72/24/73/361722473.db2.gz QOAGIRXXYXCYCD-IAGOWNOFSA-N 1 0 269.344 2.443 40 0 CEABRO O[C@H](C[NH2+]Cc1ccccc1)COc1ccc(F)cc1 ZINC000032121580 361729634 /nfs/dbraw/zinc/72/96/34/361729634.db2.gz FHGGAYJIILRRNP-OAHLLOKOSA-N 1 0 275.323 2.355 40 0 CEABRO CCOC(=O)c1cc2cc(OCC[NH+](C)C)ccc2[nH]1 ZINC000087493570 363857790 /nfs/dbraw/zinc/85/77/90/363857790.db2.gz QSQXPRJUZJUTIP-UHFFFAOYSA-N 1 0 276.336 2.285 40 0 CEABRO CC(C)C[N@@H+]1C[C@H](OCc2ccccn2)[C@H]2OCCC[C@H]21 ZINC000096187175 364406912 /nfs/dbraw/zinc/40/69/12/364406912.db2.gz KOZXAIHNEUVMOG-IKGGRYGDSA-N 1 0 290.407 2.486 40 0 CEABRO O[C@H]1CC[N@H+](Cc2ccsc2)[C@H]1Cc1ccncc1 ZINC000096200713 364411088 /nfs/dbraw/zinc/41/10/88/364411088.db2.gz XIJBPPCNNHFGAZ-GJZGRUSLSA-N 1 0 274.389 2.321 40 0 CEABRO Cc1ccc(CN2CCO[C@H]3C[N@H+](CC4CCC4)C[C@H]32)o1 ZINC000096248808 364417211 /nfs/dbraw/zinc/41/72/11/364417211.db2.gz DCRBQDHFKYFLKI-SJORKVTESA-N 1 0 290.407 2.273 40 0 CEABRO CN(C)C(=O)N1CC[C@]2(c3ccccc3)CC[N@H+](C)[C@H]2C1 ZINC000096251827 364417236 /nfs/dbraw/zinc/41/72/36/364417236.db2.gz PXSZZMGCICPJRP-RDJZCZTQSA-N 1 0 287.407 2.016 40 0 CEABRO CCc1ncnc2c1CC[N@H+](Cc1cccc(C)n1)CC2 ZINC000096255023 364418110 /nfs/dbraw/zinc/41/81/10/364418110.db2.gz QNOKZAOUPGAKTJ-UHFFFAOYSA-N 1 0 282.391 2.343 40 0 CEABRO Cc1ccc(C[N@@H+]2CCc3ncnc(C)c3CC2)o1 ZINC000096254947 364418153 /nfs/dbraw/zinc/41/81/53/364418153.db2.gz JRBROGRFIBPUJY-UHFFFAOYSA-N 1 0 257.337 2.287 40 0 CEABRO COc1cccc(C(=O)N2CCC3(CC[N@H+](C)C3)CC2)c1 ZINC000096268531 364420649 /nfs/dbraw/zinc/42/06/49/364420649.db2.gz WAPJLWKAWYUCCF-UHFFFAOYSA-N 1 0 288.391 2.253 40 0 CEABRO Cc1ccc(-n2cccc2CN2CC[NH2+]CC2)cc1 ZINC000225310035 189746891 /nfs/dbraw/zinc/74/68/91/189746891.db2.gz RRERMWNWZHGCLQ-UHFFFAOYSA-N 1 0 255.365 2.191 40 0 CEABRO CCC[n+]1ccc(-c2nn3c(CC)nnc3s2)cc1 ZINC000226773812 189778500 /nfs/dbraw/zinc/77/85/00/189778500.db2.gz MEFMZDDHHYYGON-UHFFFAOYSA-N 1 0 274.373 2.113 40 0 CEABRO CNC(=O)C(C)(C)C[NH2+][C@@H]1C[C@H]2C[C@@H]1[C@@H]1CCC[C@@H]21 ZINC000195550213 370141157 /nfs/dbraw/zinc/14/11/57/370141157.db2.gz YMQKHTSKUCONSD-XVIXHAIJSA-N 1 0 264.413 2.173 40 0 CEABRO COc1ccc(N[C@@H]2CCCC[C@@H]2[NH3+])c(OC)c1 ZINC000218860536 370214171 /nfs/dbraw/zinc/21/41/71/370214171.db2.gz YVBICIOTVFORIW-NWDGAFQWSA-N 1 0 250.342 2.386 40 0 CEABRO c1csc(CN2CC[C@H]3[C@H]2CC[N@H+]3CC2CC2)n1 ZINC000253590786 371530298 /nfs/dbraw/zinc/53/02/98/371530298.db2.gz FROUFMGEDWSKDO-QWHCGFSZSA-N 1 0 263.410 2.202 40 0 CEABRO CC(=O)N1CCN(c2ccnc(C)n2)[C@H](c2ccccc2)C1 ZINC000257337833 371612533 /nfs/dbraw/zinc/61/25/33/371612533.db2.gz YUPHALPQDYZRQC-INIZCTEOSA-N 1 0 296.374 2.195 40 0 CEABRO Cc1cccc(N2CCC[C@@H]([N@@H+](C)Cc3cncn3C)C2)n1 ZINC000257343698 371613236 /nfs/dbraw/zinc/61/32/36/371613236.db2.gz ZUAZKXLTVKVMJG-OAHLLOKOSA-N 1 0 299.422 2.224 40 0 CEABRO CC(C)(C)OC(=O)Cc1ccc(CC(=[NH2+])NO)cc1 ZINC000409428549 375523527 /nfs/dbraw/zinc/52/35/27/375523527.db2.gz AAHKSDQFJPSCHF-UHFFFAOYSA-N 1 0 264.325 2.069 40 0 CEABRO Fc1ccc(O[C@@H]2COC3(C2)CC[NH2+]CC3)cc1 ZINC000257197636 190009919 /nfs/dbraw/zinc/00/99/19/190009919.db2.gz FITYVVOVQWFILR-ZDUSSCGKSA-N 1 0 251.301 2.116 40 0 CEABRO FCCn1cc(C[NH2+]Cc2cnn(C3CCCC3)c2)cn1 ZINC000256054449 190005670 /nfs/dbraw/zinc/00/56/70/190005670.db2.gz WHUJMLXAZMEQIU-UHFFFAOYSA-N 1 0 291.374 2.454 40 0 CEABRO CCOc1ccc([C@@H]2CCCN2C(=O)C[NH+](C)C)cc1 ZINC000257232621 190016812 /nfs/dbraw/zinc/01/68/12/190016812.db2.gz GLRGWBKNMDCOFA-HNNXBMFYSA-N 1 0 276.380 2.310 40 0 CEABRO CC(C)n1nccc1-c1cnc(C[C@H]2CCC[NH2+]C2)cn1 ZINC000257217220 190014094 /nfs/dbraw/zinc/01/40/94/190014094.db2.gz CYCHYUMISMFHSO-CYBMUJFWSA-N 1 0 285.395 2.463 40 0 CEABRO Cc1cnc(Nc2nccnc2[C@@H]2CCC[NH2+]C2)s1 ZINC000257238504 190018069 /nfs/dbraw/zinc/01/80/69/190018069.db2.gz HLHMZDVAWNXIPX-SNVBAGLBSA-N 1 0 275.381 2.452 40 0 CEABRO Cc1nccn1C[C@H]1CCC[N@H+](Cc2ccncc2)C1 ZINC000257243796 190018239 /nfs/dbraw/zinc/01/82/39/190018239.db2.gz IIOPGNQRTGIAJS-INIZCTEOSA-N 1 0 270.380 2.499 40 0 CEABRO CCn1cc(-c2nccnc2C[C@H]2CCC[N@H+](C)C2)cn1 ZINC000257243165 190018441 /nfs/dbraw/zinc/01/84/41/190018441.db2.gz IFRMHXNINWBTLQ-CYBMUJFWSA-N 1 0 285.395 2.244 40 0 CEABRO CCCn1cc(-c2nccnc2C[C@H]2CCC[NH2+]C2)cn1 ZINC000257259776 190022499 /nfs/dbraw/zinc/02/24/99/190022499.db2.gz KZXPDZZBKCEHTH-CYBMUJFWSA-N 1 0 285.395 2.292 40 0 CEABRO CCN1CCC([N@@H+]2CCC[C@H](Cc3cc[nH]n3)C2)CC1 ZINC000257279208 190025330 /nfs/dbraw/zinc/02/53/30/190025330.db2.gz OFNJQCAGCXYEDY-CQSZACIVSA-N 1 0 276.428 2.149 40 0 CEABRO Cc1cccc(Nc2cc(CC3CC[NH2+]CC3)ncn2)n1 ZINC000257280174 190025482 /nfs/dbraw/zinc/02/54/82/190025482.db2.gz OJUNQDZJOJKBDA-UHFFFAOYSA-N 1 0 283.379 2.466 40 0 CEABRO c1cc2ccc(C[C@@H]3COC4(C3)CC[NH2+]CC4)nc2[nH]1 ZINC000257284867 190027245 /nfs/dbraw/zinc/02/72/45/190027245.db2.gz PEQZWSPLOKVZTK-LBPRGKRZSA-N 1 0 271.364 2.264 40 0 CEABRO Cc1cccc(C[N@@H+]2CC[C@H](c3nccc(C)n3)C2)n1 ZINC000257293389 190028782 /nfs/dbraw/zinc/02/87/82/190028782.db2.gz QPGSNILBQSWVDJ-AWEZNQCLSA-N 1 0 268.364 2.478 40 0 CEABRO Cc1c(C[N@@H+]2CC[C@@H](Cc3nccs3)C2)cnn1C ZINC000257301144 190030297 /nfs/dbraw/zinc/03/02/97/190030297.db2.gz RXDOWZIUABEXGQ-LBPRGKRZSA-N 1 0 276.409 2.250 40 0 CEABRO COc1ccc(C[NH+]2CCC3(CC2)OCCC[C@@H]3O)cc1 ZINC000257302619 190030409 /nfs/dbraw/zinc/03/04/09/190030409.db2.gz SDPHHVDAAIAUIG-INIZCTEOSA-N 1 0 291.391 2.201 40 0 CEABRO CCn1nccc1-c1nccnc1CC1CC[NH+](C)CC1 ZINC000257306515 190031119 /nfs/dbraw/zinc/03/11/19/190031119.db2.gz SUNYSPGHIBULLL-UHFFFAOYSA-N 1 0 285.395 2.244 40 0 CEABRO O=C(Cc1ccsc1)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000257336309 190036091 /nfs/dbraw/zinc/03/60/91/190036091.db2.gz YNWNXJHCZVFXSQ-OAHLLOKOSA-N 1 0 286.400 2.464 40 0 CEABRO C[C@@H]1CC[C@@H](C[NH3+])N(C(=O)OCc2ccccc2)C1 ZINC000261508682 190040338 /nfs/dbraw/zinc/04/03/38/190040338.db2.gz VVQLVEABNKBPKW-OCCSQVGLSA-N 1 0 262.353 2.382 40 0 CEABRO COC(=O)[C@H]1C[C@@H]2CC(=O)C[C@H](C1)[N@H+]2Cc1ccccc1 ZINC000265540973 190189179 /nfs/dbraw/zinc/18/91/79/190189179.db2.gz YQUMDJWPDFMASF-QDMKHBRRSA-N 1 0 287.359 2.172 40 0 CEABRO O=C(Nc1ccccc1)c1conc1C1CC[NH2+]CC1 ZINC000072208458 394592424 /nfs/dbraw/zinc/59/24/24/394592424.db2.gz QTJBURHBDIIDST-UHFFFAOYSA-N 1 0 271.320 2.394 40 0 CEABRO [NH3+][C@H]1CCN(Cc2ccc(Cl)cc2Cl)C1=O ZINC000255190360 394579721 /nfs/dbraw/zinc/57/97/21/394579721.db2.gz WTSGVPRAOMQIAR-JTQLQIEISA-N 1 0 259.136 2.053 40 0 CEABRO Cc1nc(N2CCOCC2)ccc1[C@@H]1CCCC[N@H+]1C ZINC000072219639 394594492 /nfs/dbraw/zinc/59/44/92/394594492.db2.gz ROFHTNGNDVYMKN-HNNXBMFYSA-N 1 0 275.396 2.383 40 0 CEABRO CSCC[C@@H]([NH3+])CN1CCc2ccccc2C1 ZINC000096523850 394696494 /nfs/dbraw/zinc/69/64/94/394696494.db2.gz WXJBWJHKYNCBTL-CQSZACIVSA-N 1 0 250.411 2.125 40 0 CEABRO CC1(C)O[C@]2(C)CC[C@H]1C(=O)[C@H]2[NH+]1CCCCC1 ZINC000005459164 170101457 /nfs/dbraw/zinc/10/14/57/170101457.db2.gz ZLBFGMBROJVJSC-NJZAAPMLSA-N 1 0 251.370 2.388 40 0 CEABRO CCCC[C@@H]([NH2+]C)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000005467258 170102200 /nfs/dbraw/zinc/10/22/00/170102200.db2.gz SDTVAMLVYJOLFX-GFCCVEGCSA-N 1 0 278.352 2.175 40 0 CEABRO O=C(c1ccco1)N1CC[NH+](C[C@H]2C[C@H]3C=C[C@@H]2C3)CC1 ZINC000005731195 170134561 /nfs/dbraw/zinc/13/45/61/170134561.db2.gz BIQFBGWFOQLVAP-RRFJBIMHSA-N 1 0 286.375 2.250 40 0 CEABRO COc1ccccc1OC[C@@H](O)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000008844710 170357264 /nfs/dbraw/zinc/35/72/64/170357264.db2.gz JCIMGDBTDRAMJY-KFWWJZLASA-N 1 0 293.407 2.413 40 0 CEABRO [NH3+]C[C@H]1CCCN(C(=O)c2ccccc2Cl)C1 ZINC000020182319 171045630 /nfs/dbraw/zinc/04/56/30/171045630.db2.gz PBPOMLKWPZJJMD-SNVBAGLBSA-N 1 0 252.745 2.151 40 0 CEABRO [NH3+]C[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000020182326 171046163 /nfs/dbraw/zinc/04/61/63/171046163.db2.gz XXSCFMAGBIFGMK-SNVBAGLBSA-N 1 0 252.745 2.151 40 0 CEABRO [NH3+]C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000020267665 171123875 /nfs/dbraw/zinc/12/38/75/171123875.db2.gz MNPOAJWXIMNKBT-UHFFFAOYSA-N 1 0 283.169 2.012 40 0 CEABRO C[C@]1([NH2+]Cc2cccc(Cl)c2)CCS(=O)(=O)C1 ZINC000035223097 172067479 /nfs/dbraw/zinc/06/74/79/172067479.db2.gz GAVLMVZZSCMHRE-LBPRGKRZSA-N 1 0 273.785 2.007 40 0 CEABRO O=C(C[NH2+]C1CC1)Nc1ccc(OC(F)(F)F)cc1 ZINC000037386647 173170060 /nfs/dbraw/zinc/17/00/60/173170060.db2.gz AXHVTYMPWHMAGI-UHFFFAOYSA-N 1 0 274.242 2.276 40 0 CEABRO C[NH2+]CC(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000037387602 173171175 /nfs/dbraw/zinc/17/11/75/173171175.db2.gz ZMXZIQVZOCJTSR-UHFFFAOYSA-N 1 0 268.360 2.435 40 0 CEABRO CC(C)[C@H]([NH3+])C(=O)N(C)Cc1cccc(Br)c1 ZINC000038100077 174114767 /nfs/dbraw/zinc/11/47/67/174114767.db2.gz OLCAAASHGJIFTE-LBPRGKRZSA-N 1 0 299.212 2.391 40 0 CEABRO O=C(OCc1ccccc1)N1CC2(C1)CC[NH2+]CC2 ZINC000038530202 174144197 /nfs/dbraw/zinc/14/41/97/174144197.db2.gz RDPDCWPKNUIIBE-UHFFFAOYSA-N 1 0 260.337 2.009 40 0 CEABRO NNc1ccc(-c2ccc(Br)cc2)n[nH+]1 ZINC000011567895 414747115 /nfs/dbraw/zinc/74/71/15/414747115.db2.gz DZURZLYXCNAYSM-UHFFFAOYSA-N 1 0 265.114 2.192 40 0 CEABRO CC[C@@H](Oc1cccc(C)c1C)C(=O)NCC[NH+](C)C ZINC000044850177 175265858 /nfs/dbraw/zinc/26/58/58/175265858.db2.gz AWKDQAWIGKGLHI-CQSZACIVSA-N 1 0 278.396 2.139 40 0 CEABRO COc1ccc(-c2cnc(N)nc2[C@H]2CCC[NH2+]C2)cc1 ZINC000072344132 176372570 /nfs/dbraw/zinc/37/25/70/176372570.db2.gz UOXFTPZSCGGXST-LBPRGKRZSA-N 1 0 284.363 2.201 40 0 CEABRO CNC(=O)CCc1cc(C)nc([C@@H]2CCC[N@@H+]2C(C)C)n1 ZINC000072366555 176382057 /nfs/dbraw/zinc/38/20/57/176382057.db2.gz AJBRTMRCCITECS-AWEZNQCLSA-N 1 0 290.411 2.009 40 0 CEABRO Fc1ccccc1OCCc1cc([C@H]2CC[NH2+]C2)[nH]n1 ZINC000072374090 176385351 /nfs/dbraw/zinc/38/53/51/176385351.db2.gz HJLRSTNAMRKZQT-NSHDSACASA-N 1 0 275.327 2.247 40 0 CEABRO C[N@@H+]1CCCC[C@@H]1c1ccnc(Nc2cncnc2)n1 ZINC000072377392 176385733 /nfs/dbraw/zinc/38/57/33/176385733.db2.gz ZYRHFHJPZBBVEP-CYBMUJFWSA-N 1 0 270.340 2.167 40 0 CEABRO c1cc([C@H]2CC[N@@H+](CCOc3ccccc3)C2)n[nH]1 ZINC000072385396 176389965 /nfs/dbraw/zinc/38/99/65/176389965.db2.gz YCTYCXMVGCFEHI-ZDUSSCGKSA-N 1 0 257.337 2.278 40 0 CEABRO CNc1ncccc1C[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000072386193 176391744 /nfs/dbraw/zinc/39/17/44/176391744.db2.gz YSNOQJADAJMTBT-LBPRGKRZSA-N 1 0 271.368 2.226 40 0 CEABRO O=C1NCCCC12CC[NH+](Cc1cccs1)CC2 ZINC000072393692 176394593 /nfs/dbraw/zinc/39/45/93/176394593.db2.gz RNSZLCFRLFWSTA-UHFFFAOYSA-N 1 0 264.394 2.240 40 0 CEABRO [NH3+]CCOC[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000079390663 177474870 /nfs/dbraw/zinc/47/48/70/177474870.db2.gz ONOFHLGHLFYWEF-OAHLLOKOSA-N 1 0 292.379 2.011 40 0 CEABRO c1nc2n(c1-c1ccccc1)CC1(C2)CC[NH2+]CC1 ZINC000306141619 275076447 /nfs/dbraw/zinc/07/64/47/275076447.db2.gz WCDWICGAHHNKCT-UHFFFAOYSA-N 1 0 253.349 2.476 40 0 CEABRO C[NH+](C)CC(=O)N1CCC2(CCc3ccccc32)CC1 ZINC000096062835 276755447 /nfs/dbraw/zinc/75/54/47/276755447.db2.gz YPORMHUCKKAYAE-UHFFFAOYSA-N 1 0 272.392 2.055 40 0 CEABRO C[NH+](C)CC(=O)NCCC12CC3CC(CC(C3)C1)C2 ZINC000005043927 276777203 /nfs/dbraw/zinc/77/72/03/276777203.db2.gz JKJSBEMTBDYFTF-UHFFFAOYSA-N 1 0 264.413 2.271 40 0 CEABRO CC(=O)Oc1ccc(CN2C[C@@H]3CCC[N@H+]3C[C@H]2C)cc1 ZINC000072397551 277094468 /nfs/dbraw/zinc/09/44/68/277094468.db2.gz DJHQGWZGQNFFAR-CJNGLKHVSA-N 1 0 288.391 2.280 40 0 CEABRO CC(C)(C)OC(=O)N[C@H]1C[NH2+]C[C@@H](C(F)(F)F)C1 ZINC000095644262 278444213 /nfs/dbraw/zinc/44/42/13/278444213.db2.gz CUNVTZVWJLBPQS-JGVFFNPUSA-N 1 0 268.279 2.052 40 0 CEABRO CC(C)N(C(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](CCO)C1 ZINC000079408094 279299568 /nfs/dbraw/zinc/29/95/68/279299568.db2.gz RVHXBXMKCHWOOA-CYBMUJFWSA-N 1 0 286.416 2.089 40 0 CEABRO CCc1noc(C)c1C(=O)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000257243263 288657984 /nfs/dbraw/zinc/65/79/84/288657984.db2.gz IGDHSPPJVHDVOZ-OAHLLOKOSA-N 1 0 299.374 2.332 40 0 CEABRO O=C1CC[C@@]2(c3ccccc3)[NH2+][C@@H]3CCCC[C@@H]3N12 ZINC000013611953 304633476 /nfs/dbraw/zinc/63/34/76/304633476.db2.gz QSDUYCSKFAKVPE-IJEWVQPXSA-N 1 0 256.349 2.376 40 0 CEABRO O=C1OC(c2ccccc2)(c2ccccc2)[C@@H]2C[NH2+]CCN12 ZINC000051943954 304690393 /nfs/dbraw/zinc/69/03/93/304690393.db2.gz UMLLCOYGUHIBSL-INIZCTEOSA-N 1 0 294.354 2.354 40 0 CEABRO CCNc1ncc(C[NH2+]Cc2ccc(OC)cc2)cn1 ZINC000062717557 327914684 /nfs/dbraw/zinc/91/46/84/327914684.db2.gz DGFHMYOVQWSXGO-UHFFFAOYSA-N 1 0 272.352 2.207 40 0 CEABRO C[C@@H](CCN1C[C@H]2C[C@@H](O)C[N@@H+]2C[C@@H]1C)c1ccccc1 ZINC000248241458 334297479 /nfs/dbraw/zinc/29/74/79/334297479.db2.gz OQWLLWPCXDAZNO-CWLKWCNXSA-N 1 0 288.435 2.320 40 0 CEABRO [NH3+][C@@H](Cc1ccccc1)c1nnc(-c2ccncc2)[nH]1 ZINC000095534820 185008624 /nfs/dbraw/zinc/00/86/24/185008624.db2.gz LGDFIDJTQXCOCA-ZDUSSCGKSA-N 1 0 265.320 2.109 40 0 CEABRO CCCn1cc(C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)cn1 ZINC000121227221 365538147 /nfs/dbraw/zinc/53/81/47/365538147.db2.gz IATGUWSQRPVGLW-CQSZACIVSA-N 1 0 273.384 2.396 40 0 CEABRO COC[C@]12CCCO[C@H]1CC[N@H+](Cc1c(C)noc1C)C2 ZINC000096038987 185069186 /nfs/dbraw/zinc/06/91/86/185069186.db2.gz GZUKRQBPKZRFIF-JKSUJKDBSA-N 1 0 294.395 2.309 40 0 CEABRO CC(C)Oc1ccc(C(=O)NC2CC[NH+](C)CC2)cc1 ZINC000033225921 361774560 /nfs/dbraw/zinc/77/45/60/361774560.db2.gz YISOUOXTIDXBPT-UHFFFAOYSA-N 1 0 276.380 2.298 40 0 CEABRO CC[C@H]1[NH2+]CCC[C@]12CCC(=O)N2Cc1ccncc1 ZINC000096045696 185072060 /nfs/dbraw/zinc/07/20/60/185072060.db2.gz PNTHOLONQJBTRY-ZBFHGGJFSA-N 1 0 273.380 2.105 40 0 CEABRO c1ccc(CN2CC3C[NH+](Cc4ccccn4)CC3C2)nc1 ZINC000096053803 185076241 /nfs/dbraw/zinc/07/62/41/185076241.db2.gz ABABYFMACDZJJH-UHFFFAOYSA-N 1 0 294.402 2.040 40 0 CEABRO CCO[C@@H]1CC[N@H+](C[C@@H]2CCOC2)[C@@H]1Cc1cccnc1 ZINC000096069931 185085558 /nfs/dbraw/zinc/08/55/58/185085558.db2.gz BUVGIZXXMFFHGR-GVDBMIGSSA-N 1 0 290.407 2.140 40 0 CEABRO CCN1C(=O)CC[C@@]12CCC[N@H+](Cc1ccccn1)C2 ZINC000096071170 185087106 /nfs/dbraw/zinc/08/71/06/185087106.db2.gz RYTDSRPHSIOJQP-MRXNPFEDSA-N 1 0 273.380 2.059 40 0 CEABRO C[NH+](C)[C@@H]1CCN(C(=O)c2ccc[nH]2)[C@H]1Cc1ccccc1 ZINC000096087475 185093568 /nfs/dbraw/zinc/09/35/68/185093568.db2.gz BESMXBKFDNJEDZ-SJORKVTESA-N 1 0 297.402 2.402 40 0 CEABRO COC[C@H]1CC2(CO1)CC[NH+](Cc1nc(C)cs1)CC2 ZINC000096105804 185098491 /nfs/dbraw/zinc/09/84/91/185098491.db2.gz UFCZXLYTUATSSZ-CYBMUJFWSA-N 1 0 296.436 2.469 40 0 CEABRO c1ccc(O[C@@H]2COC3(C2)CC[NH+](CC2CC2)CC3)nc1 ZINC000096106999 185099703 /nfs/dbraw/zinc/09/97/03/185099703.db2.gz TZHYCGNVOQOIRI-HNNXBMFYSA-N 1 0 288.391 2.494 40 0 CEABRO COCCNC(=O)c1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000037553339 361903209 /nfs/dbraw/zinc/90/32/09/361903209.db2.gz LALLIJKTDRNQNL-UHFFFAOYSA-N 1 0 290.407 2.295 40 0 CEABRO CC(C)[C@H]([NH3+])C(=O)N(Cc1cccc(F)c1)C1CC1 ZINC000037807693 361947038 /nfs/dbraw/zinc/94/70/38/361947038.db2.gz KZABVIFVHMDPNI-AWEZNQCLSA-N 1 0 264.344 2.300 40 0 CEABRO [NH3+]CCN1C(=O)S[C@H](c2ccccc2Cl)C1=O ZINC000039320016 361989599 /nfs/dbraw/zinc/98/95/99/361989599.db2.gz KCJFIIAJJKWAQW-SECBINFHSA-N 1 0 270.741 2.035 40 0 CEABRO CCNc1nc(N2CCc3ccccc3C2)cc(CC)[nH+]1 ZINC000328992547 136398388 /nfs/dbraw/zinc/39/83/88/136398388.db2.gz IWQASEFSCLZMCV-UHFFFAOYSA-N 1 0 282.391 2.455 40 0 CEABRO [NH3+]CCSC1=c2ccccc2=N[C@@H]1c1ccc(F)cc1 ZINC000063668929 343680990 /nfs/dbraw/zinc/68/09/90/343680990.db2.gz KHXFBFZSXFWMRL-OAHLLOKOSA-N 1 0 286.375 2.000 40 0 CEABRO CN(C)c1ccc(-c2nnc([C@H]3CC[N@H+](C)C3)o2)cc1 ZINC000049170204 362342838 /nfs/dbraw/zinc/34/28/38/362342838.db2.gz BSTUVQIRZYRSCA-LBPRGKRZSA-N 1 0 272.352 2.222 40 0 biogenic,in-vitro CEABRO CCOC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CC12CC2 ZINC000148842911 344414546 /nfs/dbraw/zinc/41/45/46/344414546.db2.gz JEZLFPHQDRWQJL-AWEZNQCLSA-N 1 0 259.349 2.462 40 0 CEABRO C[NH2+][C@@H]1CN(C(=O)OCc2ccccc2)CC[C@H]1C ZINC000215045992 344533914 /nfs/dbraw/zinc/53/39/14/344533914.db2.gz BVEDDMAXSBXTHB-TZMCWYRMSA-N 1 0 262.353 2.253 40 0 CEABRO [NH3+]Cc1cn(-c2ccc(Cl)c(C(F)(F)F)c2)nn1 ZINC000050224083 362410677 /nfs/dbraw/zinc/41/06/77/362410677.db2.gz MGVOBLZPZULZAY-UHFFFAOYSA-N 1 0 276.649 2.398 40 0 CEABRO [NH3+]Cc1cc(Cc2ccc(Br)cc2)ncn1 ZINC000409436513 344888716 /nfs/dbraw/zinc/88/87/16/344888716.db2.gz DAJLVSDWDCHFAT-UHFFFAOYSA-N 1 0 278.153 2.289 40 0 CEABRO NC(=[NH2+])Cc1cn(CCF)nc1-c1cccs1 ZINC000409441450 344889643 /nfs/dbraw/zinc/88/96/43/344889643.db2.gz XXXRSBPBAFXZKP-UHFFFAOYSA-N 1 0 252.318 2.060 40 0 CEABRO [NH3+]C[C@@H](c1ccc(N2CCCCC2)o1)N1CCCC1 ZINC000409442470 344890105 /nfs/dbraw/zinc/89/01/05/344890105.db2.gz VLSKVHBYOFTMND-ZDUSSCGKSA-N 1 0 263.385 2.366 40 0 CEABRO O=C(C[NH2+][C@@]12C[C@H]3C[C@@H](C1)C[C@](O)(C3)C2)C1CCCC1 ZINC000584566825 344957510 /nfs/dbraw/zinc/95/75/10/344957510.db2.gz CADVPHBBBWUMRL-GANFFNEQSA-N 1 0 277.408 2.419 40 0 CEABRO c1cc2n(n1)[C@H](CC[NH+]1CCCC1)CN(CC1CC1)C2 ZINC000585112556 345006127 /nfs/dbraw/zinc/00/61/27/345006127.db2.gz SPTLIVYVAYPMNO-MRXNPFEDSA-N 1 0 274.412 2.136 40 0 CEABRO O[C@@H]1[C@@H](C[NH2+]CC2CC2)CC[C@H]1Oc1ccc(F)cc1 ZINC000585287267 345009872 /nfs/dbraw/zinc/00/98/72/345009872.db2.gz WFNYRLRFRRBCLQ-DAXOMENPSA-N 1 0 279.355 2.344 40 0 CEABRO Cc1ccccc1C[C@]1(CO)C[N@H+](C(C)C)CCO1 ZINC000585277410 345010077 /nfs/dbraw/zinc/01/00/77/345010077.db2.gz WEGLDXWHDMQFRQ-MRXNPFEDSA-N 1 0 263.381 2.009 40 0 CEABRO C[C@H]1C[NH2+]CCN1Cc1ccccc1C(F)(F)F ZINC000054373598 362533727 /nfs/dbraw/zinc/53/37/27/362533727.db2.gz BXZRVCWDFGFMEH-JTQLQIEISA-N 1 0 258.287 2.499 40 0 CEABRO Cc1ccc(C)c(-c2noc(CSC(N)=[NH2+])n2)c1 ZINC000089262025 179761957 /nfs/dbraw/zinc/76/19/57/179761957.db2.gz YUYALNORDSIWAJ-UHFFFAOYSA-N 1 0 262.338 2.480 40 0 CEABRO CC(C)(C)OC(=O)N1CC[C@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000075629534 363479755 /nfs/dbraw/zinc/47/97/55/363479755.db2.gz NXUPFJYYZIGTJY-BDAKNGLRSA-N 1 0 282.306 2.381 40 0 CEABRO CCNc1cc(C2CC2)[nH+]c(NC2CCCCC2)n1 ZINC000329033719 202162653 /nfs/dbraw/zinc/16/26/53/202162653.db2.gz QVEAECZUOYOVCL-UHFFFAOYSA-N 1 0 260.385 2.374 40 0 CEABRO CC[C@H](C)Nc1nc(NCc2cccnc2)cc(C2CC2)[nH+]1 ZINC000329046556 202167299 /nfs/dbraw/zinc/16/72/99/202167299.db2.gz UBXALUOGUUZWPA-LBPRGKRZSA-N 1 0 297.406 2.415 40 0 CEABRO COc1ccc([C@H](O)[C@H]([NH2+]CCO)c2ccccc2)cc1 ZINC000001594034 538736615 /nfs/dbraw/zinc/73/66/15/538736615.db2.gz TZIFCSOXBAJUGV-SJORKVTESA-N 1 0 287.359 2.052 40 0 CEABRO [NH3+]CCOC[C@@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000079390661 363594049 /nfs/dbraw/zinc/59/40/49/363594049.db2.gz OZKNOJXZQULVAF-HNNXBMFYSA-N 1 0 292.379 2.153 40 0 CEABRO CC(C)[N@H+](CCO)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000079395090 363595532 /nfs/dbraw/zinc/59/55/32/363595532.db2.gz YWKRMJPLPIUQDH-QGZVFWFLSA-N 1 0 276.424 2.211 40 0 CEABRO CC(C)[N@H+](CCO)C[C@H]1CCCN1Cc1ccccc1 ZINC000079395087 363595684 /nfs/dbraw/zinc/59/56/84/363595684.db2.gz JZTICFJSVCLETF-QGZVFWFLSA-N 1 0 276.424 2.354 40 0 CEABRO CC(C)[N@H+](Cc1ccccc1)[C@@H]1CCCN(CCO)C1 ZINC000079414283 363596796 /nfs/dbraw/zinc/59/67/96/363596796.db2.gz WCGALKBOUZMJNF-QGZVFWFLSA-N 1 0 276.424 2.354 40 0 CEABRO OCCN1CCC([N@H+](Cc2ccccc2)C2CC2)CC1 ZINC000079414396 363597216 /nfs/dbraw/zinc/59/72/16/363597216.db2.gz ZMSBQXVUZJBLOH-UHFFFAOYSA-N 1 0 274.408 2.108 40 0 CEABRO CC(C)[NH2+]C[C@@H](O)COc1cccc2c1C=CCC2 ZINC000000000383 361116610 /nfs/dbraw/zinc/11/66/10/361116610.db2.gz JKLYFQUDQSQWRB-CQSZACIVSA-N 1 0 261.365 2.384 40 0 in-man CEABRO CO[C@H]1CC=C2CC[N@@H+]3CCC4=C(CCOC4)[C@@]23C1 ZINC000000401267 361170368 /nfs/dbraw/zinc/17/03/68/361170368.db2.gz QUJGKXLFHIGUGU-GOEBONIOSA-N 1 0 261.365 2.287 40 0 CEABRO OCC[NH+](CCO)C(Cc1ccccc1)Cc1ccccc1 ZINC000001665786 361214891 /nfs/dbraw/zinc/21/48/91/361214891.db2.gz GWPURVIIRDGRLZ-UHFFFAOYSA-N 1 0 299.414 2.127 40 0 CEABRO CC(C)C[NH2+]CC(=O)Nc1cccc(C(=O)OC(C)C)c1 ZINC000001671757 361216625 /nfs/dbraw/zinc/21/66/25/361216625.db2.gz HSSDEDWPGLQPSU-UHFFFAOYSA-N 1 0 292.379 2.436 40 0 CEABRO COc1ccc(CC[n+]2cccc(C(C)=O)c2)cc1OC ZINC000001719784 361219553 /nfs/dbraw/zinc/21/95/53/361219553.db2.gz DIMGIOWAKUELOX-UHFFFAOYSA-N 1 0 286.351 2.437 40 0 CEABRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(N)cc1 ZINC000002042269 361225894 /nfs/dbraw/zinc/22/58/94/361225894.db2.gz HIIVEEDTMISUOQ-CYBMUJFWSA-N 1 0 275.396 2.263 40 0 CEABRO Cc1cc(=O)oc2cc(NC(=O)[C@@H]([NH3+])C(C)C)ccc12 ZINC000002521478 361237658 /nfs/dbraw/zinc/23/76/58/361237658.db2.gz WIGTYBCYMMYYGJ-AWEZNQCLSA-N 1 0 274.320 2.023 40 0 CEABRO C[C@@H]([NH3+])Cc1cccc(I)c1 ZINC000003622095 361286900 /nfs/dbraw/zinc/28/69/00/361286900.db2.gz SSMQECSVMNPOLS-SSDOTTSWSA-N 1 0 261.106 2.181 40 0 in-vitro CEABRO Cc1cccc2cc(C[NH2+]C[C@H]3CCCO3)c(=O)[nH]c12 ZINC000004131503 361301394 /nfs/dbraw/zinc/30/13/94/361301394.db2.gz GCYAJNUTJNAIKT-CQSZACIVSA-N 1 0 272.348 2.105 40 0 CEABRO C[NH+](C)CC(=O)N[C@H](Cc1cccs1)c1nccs1 ZINC000012226063 361375959 /nfs/dbraw/zinc/37/59/59/361375959.db2.gz YZVMHJXEOLNBKO-LLVKDONJSA-N 1 0 295.433 2.166 40 0 CEABRO C[C@@H](NCC[NH2+][C@@H](C)c1cccnc1)c1cccnc1 ZINC000023478002 361599246 /nfs/dbraw/zinc/59/92/46/361599246.db2.gz VJQJDYZVAVUECB-OKILXGFUSA-N 1 0 270.380 2.478 40 0 CEABRO Cc1cc(OC[C@@H](O)C[NH2+]C(C)(C)CO)ccc1C(C)C ZINC000026781237 361644027 /nfs/dbraw/zinc/64/40/27/361644027.db2.gz WWSJSJJFPVYVNE-AWEZNQCLSA-N 1 0 295.423 2.219 40 0 CEABRO Nc1nn(-c2cccc(C(F)(F)F)c2)c2cccc[n+]12 ZINC000005438829 283702200 /nfs/dbraw/zinc/70/22/00/283702200.db2.gz BYAHQBLHXCSMMJ-UHFFFAOYSA-N 1 0 279.245 2.212 40 0 CEABRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(Cc2cccs2)C1 ZINC000096188174 364406957 /nfs/dbraw/zinc/40/69/57/364406957.db2.gz IUFDWEBPTJSSMQ-ZDUSSCGKSA-N 1 0 290.436 2.138 40 0 CEABRO O=c1ccc2c(n1CC1CC1)CC[C@H]([NH2+]Cc1ccco1)C2 ZINC000096189725 364407598 /nfs/dbraw/zinc/40/75/98/364407598.db2.gz NDAJPNJDNVBJTB-HNNXBMFYSA-N 1 0 298.386 2.498 40 0 CEABRO Cc1nc(-c2ccccc2)nc2c1COC[C@]21CC[NH2+]C1 ZINC000096244668 364417033 /nfs/dbraw/zinc/41/70/33/364417033.db2.gz HVURZGKTGGJKHI-QGZVFWFLSA-N 1 0 281.359 2.213 40 0 CEABRO CCOc1ncnc2c1CC[N@H+](Cc1ccoc1)CC2 ZINC000096255597 364418229 /nfs/dbraw/zinc/41/82/29/364418229.db2.gz SXEDQFOFYXJKFA-UHFFFAOYSA-N 1 0 273.336 2.069 40 0 CEABRO CC(C)Nc1ncnc2c1CC[N@H+](Cc1ccoc1)CC2 ZINC000096255509 364418493 /nfs/dbraw/zinc/41/84/93/364418493.db2.gz XRHFFPPVIMYZQI-UHFFFAOYSA-N 1 0 286.379 2.491 40 0 CEABRO CC(C)(C)OC(=O)N1C[C@@H](C(F)(F)F)[C@@](C)(C[NH3+])C1 ZINC000199768685 189683969 /nfs/dbraw/zinc/68/39/69/189683969.db2.gz ZDSLCPXFSMRFLB-KCJUWKMLSA-N 1 0 282.306 2.381 40 0 CEABRO CC(C)CC(=O)N1CC2(C1)CC[C@H](C[NH+]1CCCC1)CO2 ZINC000585093673 367177809 /nfs/dbraw/zinc/17/78/09/367177809.db2.gz DANNPFINKREGPW-OAHLLOKOSA-N 1 0 294.439 2.136 40 0 CEABRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@]1(N)C(F)(F)F ZINC000199548581 370148858 /nfs/dbraw/zinc/14/88/58/370148858.db2.gz NWNOBEWRLOTQFH-ZYHUDNBSSA-N 1 0 258.287 2.398 40 0 CEABRO COc1cc(N[C@@H]2CCCC[C@@H]2[NH3+])cc(OC)c1OC ZINC000218866201 370213901 /nfs/dbraw/zinc/21/39/01/370213901.db2.gz SFTCHGYWUKAPPW-NWDGAFQWSA-N 1 0 280.368 2.394 40 0 CEABRO C[C@H]1C[C@]1(C[NH3+])[C@@H](O)c1cccc(Br)c1 ZINC000216575977 370190255 /nfs/dbraw/zinc/19/02/55/370190255.db2.gz NZNKECSTXOMISB-KPXOXKRLSA-N 1 0 270.170 2.467 40 0 CEABRO O=C(NC1CC1)[C@@H](c1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000217527085 370197036 /nfs/dbraw/zinc/19/70/36/370197036.db2.gz QKOSJXSMZBTSRE-GJZGRUSLSA-N 1 0 258.365 2.191 40 0 CEABRO COc1ccc(-c2ccc3nnc([C@H]([NH3+])C(C)C)n3n2)cc1 ZINC000217565466 370198802 /nfs/dbraw/zinc/19/88/02/370198802.db2.gz WAJWOSLIOBLJNV-OAHLLOKOSA-N 1 0 297.362 2.456 40 0 CEABRO [NH3+]CCSc1n[nH]c(-c2ccccc2Br)n1 ZINC000224979134 370284192 /nfs/dbraw/zinc/28/41/92/370284192.db2.gz PJMNANNHMQOLPO-UHFFFAOYSA-N 1 0 299.197 2.285 40 0 CEABRO CC[N@@H+]1CC[C@]2(c3ccccc3)CCN(C(C)=O)C[C@@H]12 ZINC000247898979 371145020 /nfs/dbraw/zinc/14/50/20/371145020.db2.gz ADFKGDUQBPZDFV-IAGOWNOFSA-N 1 0 272.392 2.271 40 0 CEABRO O=C(N[C@H]1CCCN(c2ccccn2)C1)c1ccccc1 ZINC000257238719 371609883 /nfs/dbraw/zinc/60/98/83/371609883.db2.gz HMGFZCDPEFXFPP-HNNXBMFYSA-N 1 0 281.359 2.480 40 0 CEABRO Cc1cccc(N2CCO[C@@H](CCc3cc(C)ncn3)C2)n1 ZINC000257270310 371611095 /nfs/dbraw/zinc/61/10/95/371611095.db2.gz MTQPQGKISSLDNT-INIZCTEOSA-N 1 0 298.390 2.326 40 0 CEABRO Cc1nc(C(=O)N2CCC[C@@]3(C)[C@H]2CCC[N@H+]3C)co1 ZINC000257312907 371612557 /nfs/dbraw/zinc/61/25/57/371612557.db2.gz UQDPUBPNNQPNCW-HIFRSBDPSA-N 1 0 277.368 2.072 40 0 CEABRO FCCn1cc(C[NH2+]Cc2cc(F)cc(F)c2)cn1 ZINC000256049998 190002971 /nfs/dbraw/zinc/00/29/71/190002971.db2.gz CFCKJEYTMHENOI-UHFFFAOYSA-N 1 0 269.270 2.421 40 0 CEABRO Cc1nn(C)cc1C[NH2+]Cc1cn(C(C)C)nc1C ZINC000256051865 190003985 /nfs/dbraw/zinc/00/39/85/190003985.db2.gz KUQCCSRHIZGCTQ-UHFFFAOYSA-N 1 0 261.373 2.104 40 0 CEABRO Cc1c[nH]c([C@@H]2CC[N@@H+](Cc3csc(C)n3)C2)n1 ZINC000257203937 190011476 /nfs/dbraw/zinc/01/14/76/190011476.db2.gz ASGXJLRMKXTGCQ-LLVKDONJSA-N 1 0 262.382 2.473 40 0 CEABRO O=C(Cc1ccsc1)N1CC[C@H]2[NH2+]CCCC[C@H]2C1 ZINC000257210921 190012451 /nfs/dbraw/zinc/01/24/51/190012451.db2.gz BWRMJARMUKGZFV-UONOGXRCSA-N 1 0 278.421 2.281 40 0 CEABRO Cc1cccc(Nc2cnc([C@H]3CCC[NH2+]C3)cn2)n1 ZINC000257242439 190018277 /nfs/dbraw/zinc/01/82/77/190018277.db2.gz ICMAERVQWZXROQ-LBPRGKRZSA-N 1 0 269.352 2.391 40 0 CEABRO Cc1nccn1C[C@@H]1CCC[N@H+](Cc2ccncc2)C1 ZINC000257243797 190018540 /nfs/dbraw/zinc/01/85/40/190018540.db2.gz IIOPGNQRTGIAJS-MRXNPFEDSA-N 1 0 270.380 2.499 40 0 CEABRO Cc1ncc(-c2ccc(C[C@H]3CCC[NH2+]C3)cn2)n1C ZINC000257247736 190019676 /nfs/dbraw/zinc/01/96/76/190019676.db2.gz JAGGORQAMLISLK-CYBMUJFWSA-N 1 0 270.380 2.333 40 0 CEABRO Cn1cccc1C[N@@H+]1CCC[C@@H](Cc2cc[nH]n2)C1 ZINC000257250980 190020103 /nfs/dbraw/zinc/02/01/03/190020103.db2.gz JOVDRASFPWWZDJ-ZDUSSCGKSA-N 1 0 258.369 2.203 40 0 CEABRO c1cn2c(n1)nccc2[C@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC000257276848 190025607 /nfs/dbraw/zinc/02/56/07/190025607.db2.gz NVJLWZFDALSBOM-AWEZNQCLSA-N 1 0 279.347 2.114 40 0 CEABRO COc1cccc(OC)c1C[N@@H+]1CC[C@H](c2cc[nH]n2)C1 ZINC000257283653 190026366 /nfs/dbraw/zinc/02/63/66/190026366.db2.gz OZFPERYVYYLLSH-LBPRGKRZSA-N 1 0 287.363 2.416 40 0 CEABRO COc1cccc(C[C@H]2CC3(CO2)CC[NH2+]CC3)c1 ZINC000257288477 190026955 /nfs/dbraw/zinc/02/69/55/190026955.db2.gz PUIQDMCCKPKOIW-HNNXBMFYSA-N 1 0 261.365 2.396 40 0 CEABRO Cn1ccc2ccnc(C[C@H]3COC4(C3)CC[NH2+]CC4)c21 ZINC000257295492 190028712 /nfs/dbraw/zinc/02/87/12/190028712.db2.gz QYNLMANWOIRPRQ-CYBMUJFWSA-N 1 0 285.391 2.275 40 0 CEABRO Cc1cn(C)c([C@H]2CC[N@H+](Cc3csc(C)n3)C2)n1 ZINC000257297134 190029919 /nfs/dbraw/zinc/02/99/19/190029919.db2.gz RGAJMTQBBKDDOS-LBPRGKRZSA-N 1 0 276.409 2.483 40 0 CEABRO CN(C)c1cc([C@H]2CCC[N@H+](Cc3cnn(C)c3)C2)ccn1 ZINC000257314576 190032880 /nfs/dbraw/zinc/03/28/80/190032880.db2.gz UXOOSTUIZGVYKV-INIZCTEOSA-N 1 0 299.422 2.261 40 0 CEABRO O=C1N(c2cccnc2)CC[C@]12C[NH2+]C[C@H]2c1ccccc1 ZINC000306135667 376539712 /nfs/dbraw/zinc/53/97/12/376539712.db2.gz OXILXCPOJPINHS-FUHWJXTLSA-N 1 0 293.370 2.192 40 0 CEABRO C[C@H]([NH2+]C[C@@H](O)CC1CCCC1)c1cnn(C)c1 ZINC000332306084 377564415 /nfs/dbraw/zinc/56/44/15/377564415.db2.gz JLIHSZZEZPONLG-FZMZJTMJSA-N 1 0 251.374 2.012 40 0 CEABRO COC(=O)[C@@H]1C[C@@H]2CC(=O)C[C@H](C1)[N@H+]2Cc1ccccc1 ZINC000265540975 190188980 /nfs/dbraw/zinc/18/89/80/190188980.db2.gz YQUMDJWPDFMASF-QKDCVEJESA-N 1 0 287.359 2.172 40 0 CEABRO C[C@H]1C[C@@]1(C[NH3+])[C@@H](O)c1ccc(Br)cc1 ZINC000216575695 130758156 /nfs/dbraw/zinc/75/81/56/130758156.db2.gz FWYXTFJWBKBSSN-UWJYBYFXSA-N 1 0 270.170 2.467 40 0 CEABRO C[C@H](CCc1ccccc1)[NH2+]Cc1cnc(N)nc1 ZINC000062717408 394571095 /nfs/dbraw/zinc/57/10/95/394571095.db2.gz ZROIHONFWAQXSZ-GFCCVEGCSA-N 1 0 256.353 2.170 40 0 CEABRO COc1ccc(C[NH2+]Cc2cnc(SC)nc2)cc1 ZINC000062717240 394571291 /nfs/dbraw/zinc/57/12/91/394571291.db2.gz IKCJUIYJBUZUPK-UHFFFAOYSA-N 1 0 275.377 2.497 40 0 CEABRO Cc1cc([C@H]2CCCC[NH2+]2)cnc1N1CCOCC1 ZINC000072219353 394594539 /nfs/dbraw/zinc/59/45/39/394594539.db2.gz PJTFCUSCVSZHKZ-CQSZACIVSA-N 1 0 261.369 2.041 40 0 CEABRO C[C@H](C[NH2+]C1CCCC1)OC(=O)c1ccc(N)cc1 ZINC000001995941 169766054 /nfs/dbraw/zinc/76/60/54/169766054.db2.gz NBPLSBSQFQHXKU-LLVKDONJSA-N 1 0 262.353 2.346 40 0 CEABRO CC(CO)(CO)[NH2+][C@H](Cc1ccccc1)c1ccccc1 ZINC000005963451 170163479 /nfs/dbraw/zinc/16/34/79/170163479.db2.gz JLJUETCGWJORJT-QGZVFWFLSA-N 1 0 285.387 2.303 40 0 CEABRO CNC(=S)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccco1 ZINC000008663975 170344884 /nfs/dbraw/zinc/34/48/84/170344884.db2.gz WIXWFUFLGBEEFY-YHWZYXNKSA-N 1 0 293.436 2.259 40 0 CEABRO CCn1cc(C[NH2+]Cc2cc(F)cc(F)c2)cn1 ZINC000020349198 171155010 /nfs/dbraw/zinc/15/50/10/171155010.db2.gz MKMQNNDCBSCQOR-UHFFFAOYSA-N 1 0 251.280 2.471 40 0 CEABRO Cc1ccc(NC(=O)COc2ccc(C[NH3+])cc2)cc1 ZINC000022166601 171366410 /nfs/dbraw/zinc/36/64/10/171366410.db2.gz HPBJCWRCLSMXNR-UHFFFAOYSA-N 1 0 270.332 2.471 40 0 CEABRO CC[C@H](C)[C@H]([NH2+]C)[C@@H](CC(=O)OC(C)(C)C)OC ZINC000034148021 171832591 /nfs/dbraw/zinc/83/25/91/171832591.db2.gz VRBFIJCLCNKGGT-LOWVWBTDSA-N 1 0 259.390 2.367 40 0 CEABRO CCN(Cc1ccc(OC)cc1)C(=O)[C@@H]([NH3+])C(C)C ZINC000037815899 173764708 /nfs/dbraw/zinc/76/47/08/173764708.db2.gz BUDOGGQNYZWYDX-AWEZNQCLSA-N 1 0 264.369 2.027 40 0 CEABRO COCCCNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000038833025 174157447 /nfs/dbraw/zinc/15/74/47/174157447.db2.gz NQTXEIMQRBVCKY-INIZCTEOSA-N 1 0 290.407 2.051 40 0 CEABRO Cc1ccc(CSCC(=O)NC2CC[NH+](C)CC2)cc1 ZINC000047837429 175414717 /nfs/dbraw/zinc/41/47/17/175414717.db2.gz BSVRPVZLXPROAI-UHFFFAOYSA-N 1 0 292.448 2.439 40 0 CEABRO C[C@H]1C[NH2+]CCN1Cc1cccc(Br)c1 ZINC000054374142 175559652 /nfs/dbraw/zinc/55/96/52/175559652.db2.gz WPWODVPOLSPOLM-JTQLQIEISA-N 1 0 269.186 2.243 40 0 CEABRO C[C@@H]1C[NH2+]CC[C@@H]1n1nc(-c2cccs2)ccc1=O ZINC000072335405 176370811 /nfs/dbraw/zinc/37/08/11/176370811.db2.gz HICRWPJDNBZEJP-PWSUYJOCSA-N 1 0 275.377 2.142 40 0 CEABRO CN(C)C(=O)[C@@]1(CCCc2ccccn2)CCCC[NH2+]1 ZINC000072344194 176372817 /nfs/dbraw/zinc/37/28/17/176372817.db2.gz AISXFBXAXUEFLP-INIZCTEOSA-N 1 0 275.396 2.005 40 0 CEABRO Cc1cccnc1CNc1nccnc1C1CC[NH2+]CC1 ZINC000072365482 176380354 /nfs/dbraw/zinc/38/03/54/176380354.db2.gz VKMAXCQPVBOSTR-UHFFFAOYSA-N 1 0 283.379 2.259 40 0 CEABRO Cc1cc(-c2cccc(C(N)=O)c2)nc(C2CC[NH2+]CC2)n1 ZINC000072365531 176380379 /nfs/dbraw/zinc/38/03/79/176380379.db2.gz GFIPXSJLLMKKQD-UHFFFAOYSA-N 1 0 296.374 2.018 40 0 CEABRO c1ccc(Nc2nccnc2C2CC[NH2+]CC2)nc1 ZINC000072383139 176388170 /nfs/dbraw/zinc/38/81/70/176388170.db2.gz WMXCLDKPOVIQKV-UHFFFAOYSA-N 1 0 255.325 2.082 40 0 CEABRO c1cc([C@@H]2CC[N@@H+](CCOc3ccccc3)C2)n[nH]1 ZINC000072385397 176389710 /nfs/dbraw/zinc/38/97/10/176389710.db2.gz YCTYCXMVGCFEHI-CYBMUJFWSA-N 1 0 257.337 2.278 40 0 CEABRO CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[NH3+] ZINC000076671727 177053806 /nfs/dbraw/zinc/05/38/06/177053806.db2.gz ZXYCYIKSJOITDB-UHFFFAOYSA-N 1 0 261.152 2.301 40 0 CEABRO CO[C@H]1COCC[N@H+](Cc2cnc3ccccc3c2)C1 ZINC000077265950 177246595 /nfs/dbraw/zinc/24/65/95/177246595.db2.gz KNWQDVOAMDXMFQ-OAHLLOKOSA-N 1 0 272.348 2.082 40 0 biogenic,in-vitro CEABRO C[N@@H+]1CCC[C@H](C(=O)NCCSCc2ccccc2)C1 ZINC000078578503 177356276 /nfs/dbraw/zinc/35/62/76/177356276.db2.gz GWMBJIYUXPRHEP-HNNXBMFYSA-N 1 0 292.448 2.378 40 0 CEABRO Cc1cc(C)nc(NCC[NH2+]Cc2ccc(F)cc2)n1 ZINC000062717853 262304006 /nfs/dbraw/zinc/30/40/06/262304006.db2.gz NRVLBPWEEJSUJN-UHFFFAOYSA-N 1 0 274.343 2.434 40 0 CEABRO O=C1CC[C@]2(CCC[NH2+]CC2)N1Cc1ccccc1 ZINC000096218160 265334318 /nfs/dbraw/zinc/33/43/18/265334318.db2.gz MIQXSWKBLISGSO-INIZCTEOSA-N 1 0 258.365 2.321 40 0 CEABRO CN(C)C(=O)C[C@H]1CC2(CC[NH2+]CC2)c2cc(F)ccc21 ZINC000096241828 265345812 /nfs/dbraw/zinc/34/58/12/265345812.db2.gz PIAVSQBBFSWSEV-LBPRGKRZSA-N 1 0 290.382 2.413 40 0 CEABRO CC(C)(C)OC(=O)N1C[C@@H]2C[NH2+]C[C@]2(c2ccccc2)C1 ZINC000091303281 277195673 /nfs/dbraw/zinc/19/56/73/277195673.db2.gz SJNARNJWCWYEMI-WMLDXEAASA-N 1 0 288.391 2.395 40 0 CEABRO COc1ccc2c(c1)C(=O)C[C@H]([C@@H]1CCC[NH2+]C1)O2 ZINC000072398076 277942479 /nfs/dbraw/zinc/94/24/79/277942479.db2.gz CPSTVGWSQCSIHA-MEBBXXQBSA-N 1 0 261.321 2.029 40 0 CEABRO C[C@@H]1[NH2+]CC=CC[C@H]1C(=O)N1CCc2ccccc2C1 ZINC000019462294 279029811 /nfs/dbraw/zinc/02/98/11/279029811.db2.gz YJXLKGJUYSIITG-XJKSGUPXSA-N 1 0 270.376 2.126 40 0 CEABRO Cc1c[nH]nc1[C@H]1CCC[N@H+](CC2CCOCC2)C1 ZINC000072386142 280284542 /nfs/dbraw/zinc/28/45/42/280284542.db2.gz RIXJCOOMEXOIGL-AWEZNQCLSA-N 1 0 263.385 2.324 40 0 CEABRO Cc1ccc(CN(CCC[NH+](C)C)Cc2nccn2C)o1 ZINC000012147066 301579937 /nfs/dbraw/zinc/57/99/37/301579937.db2.gz QLSKAZKIUAMZJL-UHFFFAOYSA-N 1 0 290.411 2.275 40 0 CEABRO CC[N@@H+]1CCC[C@H]1CNc1cc(Cl)nc(C)n1 ZINC000052835979 521659027 /nfs/dbraw/zinc/65/90/27/521659027.db2.gz OLQNRDUNSFETGB-JTQLQIEISA-N 1 0 254.765 2.335 40 0 CEABRO COc1ccc2ccccc2c1[C@H]1C[C@]1(C[NH3+])CO ZINC000062713372 525652469 /nfs/dbraw/zinc/65/24/69/525652469.db2.gz BRZRBCPNZPAFJJ-CJNGLKHVSA-N 1 0 257.333 2.273 40 0 CEABRO CC(C)(C)OC(=O)N[C@@H]1CCCN(c2cc[nH+]cc2N)C1 ZINC000087493424 534894035 /nfs/dbraw/zinc/89/40/35/534894035.db2.gz BDLWVTWKNLOFBM-LLVKDONJSA-N 1 0 292.383 2.157 40 0 CEABRO CC(C)(C)OC(=O)N[C@H]1CCCN(c2cc[nH+]cc2N)C1 ZINC000087493425 534898981 /nfs/dbraw/zinc/89/89/81/534898981.db2.gz BDLWVTWKNLOFBM-NSHDSACASA-N 1 0 292.383 2.157 40 0 CEABRO Cc1ccc(C[N@@H+]2C[C@@H]3C[C@@H](c4nc(C)no4)O[C@@H]3C2)o1 ZINC000096045791 185071294 /nfs/dbraw/zinc/07/12/94/185071294.db2.gz HBGBKBFAWGALCL-FPMFFAJLSA-N 1 0 289.335 2.241 40 0 CEABRO C[C@H]1C[C@H]2C[N@H+](Cc3ccc4c(c3)OCO4)CC[C@@H]2O1 ZINC000096045895 185071769 /nfs/dbraw/zinc/07/17/69/185071769.db2.gz MNAWBLXHYPBYCP-UBHSHLNASA-N 1 0 275.348 2.415 40 0 CEABRO CC[N@@H+]1CCOC[C@@]2(CCCN(Cc3ccccn3)C2)C1 ZINC000096049598 185073038 /nfs/dbraw/zinc/07/30/38/185073038.db2.gz WVUBZOQEFIPAAZ-KRWDZBQOSA-N 1 0 289.423 2.016 40 0 CEABRO c1cn([C@@H]2CO[C@]3(C2)CCC[N@@H+](Cc2cccnc2)C3)cn1 ZINC000096048564 185073183 /nfs/dbraw/zinc/07/31/83/185073183.db2.gz SVZHDVPNTPYDSM-IRXDYDNUSA-N 1 0 298.390 2.274 40 0 CEABRO O=C1CCC2(CC[NH+](CC3CC3)CC2)N1Cc1cccnc1 ZINC000096049387 185073275 /nfs/dbraw/zinc/07/32/75/185073275.db2.gz LRURBMXKWLGDMY-UHFFFAOYSA-N 1 0 299.418 2.449 40 0 CEABRO c1cn([C@@H]2CO[C@@]3(C2)CCC[N@@H+](Cc2ccncc2)C3)cn1 ZINC000096048567 185073393 /nfs/dbraw/zinc/07/33/93/185073393.db2.gz QDQCLGDBADXANC-DLBZAZTESA-N 1 0 298.390 2.274 40 0 CEABRO Cc1ccc(C[NH+]2CCC3(CCCC(=O)N3)CC2)o1 ZINC000096047387 185073455 /nfs/dbraw/zinc/07/34/55/185073455.db2.gz SABLKHMIDMQDNT-UHFFFAOYSA-N 1 0 262.353 2.223 40 0 CEABRO c1cn([C@@H]2CO[C@]3(C2)CCC[N@@H+](Cc2ccncc2)C3)cn1 ZINC000096048566 185073579 /nfs/dbraw/zinc/07/35/79/185073579.db2.gz QDQCLGDBADXANC-IRXDYDNUSA-N 1 0 298.390 2.274 40 0 CEABRO CCN1C(=O)CC[C@@]12CCC[N@H+](Cc1cccnc1)CC2 ZINC000096047506 185073665 /nfs/dbraw/zinc/07/36/65/185073665.db2.gz GHGNXBRVRWHBFS-QGZVFWFLSA-N 1 0 287.407 2.449 40 0 CEABRO CC[C@@H]1[N@H+](Cc2ccncc2)CCC[C@]12CCC(=O)N2 ZINC000096052399 185074140 /nfs/dbraw/zinc/07/41/40/185074140.db2.gz AGWUGOMDSNSGNR-HOCLYGCPSA-N 1 0 273.380 2.105 40 0 CEABRO CCOC[C@]12CCCO[C@H]1CC[N@H+](Cc1ccccn1)C2 ZINC000096056806 185077415 /nfs/dbraw/zinc/07/74/15/185077415.db2.gz BSKDQECSJKCUNS-DLBZAZTESA-N 1 0 290.407 2.489 40 0 CEABRO c1cc(C[NH+]2CCC3(CCN3c3ncccn3)CC2)co1 ZINC000096077995 185089947 /nfs/dbraw/zinc/08/99/47/185089947.db2.gz HJRREPCTCKJAHO-UHFFFAOYSA-N 1 0 284.363 2.315 40 0 CEABRO CO[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1ccc(C)o1)C2 ZINC000096107179 185099764 /nfs/dbraw/zinc/09/97/64/185099764.db2.gz KCHYSWAQCJBRHZ-CABCVRRESA-N 1 0 265.353 2.358 40 0 CEABRO C[C@@H](C[NH2+]Cc1ccc2c(c1)OCO2)C(=O)OC(C)(C)C ZINC000047219072 362201862 /nfs/dbraw/zinc/20/18/62/362201862.db2.gz GKKVXSVJILGWTC-NSHDSACASA-N 1 0 293.363 2.483 40 0 CEABRO Cn1cncc1-c1nnc([C@H]2CC[N@H+](CC(C)(C)C)C2)o1 ZINC000049170479 362343876 /nfs/dbraw/zinc/34/38/76/362343876.db2.gz AZGPACKWUCTJQK-NSHDSACASA-N 1 0 289.383 2.306 40 0 biogenic,in-vitro CEABRO C[NH2+][C@@H]1CN(C(=O)OCc2ccccc2)CC[C@@H]1C ZINC000215046039 344533878 /nfs/dbraw/zinc/53/38/78/344533878.db2.gz BVEDDMAXSBXTHB-GXTWGEPZSA-N 1 0 262.353 2.253 40 0 CEABRO OC[C@H]1CC[N@H+](Cc2cccc(Br)c2)C1 ZINC000051887054 362444838 /nfs/dbraw/zinc/44/48/38/362444838.db2.gz JOKZZLUKCYXRJI-NSHDSACASA-N 1 0 270.170 2.263 40 0 CEABRO CCCCC(=O)N1Cc2ccnn2[C@@H](C[NH+](CC)CC)C1 ZINC000575404767 344950196 /nfs/dbraw/zinc/95/01/96/344950196.db2.gz DJMLGQDUHYOOBS-HNNXBMFYSA-N 1 0 292.427 2.298 40 0 CEABRO CCn1cc(C[N@@H+]2CC[C@H](c3nc(C)c[nH]3)C2)c(C)n1 ZINC000585181413 345009133 /nfs/dbraw/zinc/00/91/33/345009133.db2.gz ISCUSGFWRFSICN-ZDUSSCGKSA-N 1 0 273.384 2.232 40 0 CEABRO O=C1CCCC[C@@H]2[C@H](CC[N@H+]2CC2(O)CCCCCC2)N1 ZINC000585285561 345009690 /nfs/dbraw/zinc/00/96/90/345009690.db2.gz ZXQWZUHWIBPRPS-LSDHHAIUSA-N 1 0 294.439 2.205 40 0 CEABRO [NH3+]C12CC(NC(=O)OCc3ccccc3)(C1)CCC2 ZINC000091675863 180225156 /nfs/dbraw/zinc/22/51/56/180225156.db2.gz LAPBRBYEXSMSHI-UHFFFAOYSA-N 1 0 260.337 2.327 40 0 CEABRO c1cn([C@H]2CO[C@@]3(C2)CCC[N@@H+](Cc2ccccn2)C3)cn1 ZINC000107731397 186189521 /nfs/dbraw/zinc/18/95/21/186189521.db2.gz DCZVGCNCDNMRRP-IAGOWNOFSA-N 1 0 298.390 2.274 40 0 CEABRO c1cn([C@H]2CO[C@]3(C2)CCC[N@@H+](Cc2ccoc2)C3)cn1 ZINC000107731341 186189603 /nfs/dbraw/zinc/18/96/03/186189603.db2.gz RHHJWYHNAPOFFG-CVEARBPZSA-N 1 0 287.363 2.472 40 0 CEABRO CC[NH2+]Cc1cc2c(cc1Br)OCCO2 ZINC000070187047 363049939 /nfs/dbraw/zinc/04/99/39/363049939.db2.gz MQXWONUKCVFWKS-UHFFFAOYSA-N 1 0 272.142 2.330 40 0 CEABRO NNc1ccc(-c2nc(-c3ccccc3)no2)c[nH+]1 ZINC000070451566 363084107 /nfs/dbraw/zinc/08/41/07/363084107.db2.gz UAEUYXUPZOVEEK-UHFFFAOYSA-N 1 0 253.265 2.084 40 0 CEABRO CCn1cc(-c2noc([C@H]3CCCC[NH2+]3)n2)c(C)n1 ZINC000575410754 366281712 /nfs/dbraw/zinc/28/17/12/366281712.db2.gz FUVANGRBFAOLAS-LLVKDONJSA-N 1 0 261.329 2.076 40 0 CEABRO CC(C)(C)OC(=O)NCC12CC(C[NH3+])(C1)CCC2 ZINC000575623963 366306088 /nfs/dbraw/zinc/30/60/88/366306088.db2.gz BDPWPCOZDLLBDS-UHFFFAOYSA-N 1 0 254.374 2.420 40 0 CEABRO CC(C)(C)OC(=O)N[C@H]1CC[NH2+]C[C@@H]1C(F)(F)F ZINC000077034342 363546174 /nfs/dbraw/zinc/54/61/74/363546174.db2.gz PIARTJWWYHJFTF-YUMQZZPRSA-N 1 0 268.279 2.052 40 0 CEABRO c1ccc(CCNc2cc(C3CC3)[nH+]c(NC3CC3)n2)cc1 ZINC000329070970 202177908 /nfs/dbraw/zinc/17/79/08/202177908.db2.gz ZMPQBELJJUVKLN-UHFFFAOYSA-N 1 0 294.402 2.427 40 0 CEABRO CC(C)(C)OC(=O)N1CCC(SCC[NH3+])CC1 ZINC000079392233 363593421 /nfs/dbraw/zinc/59/34/21/363593421.db2.gz DLOYYJVWEAHIBD-UHFFFAOYSA-N 1 0 260.403 2.078 40 0 CEABRO CC[N@@H+](Cc1ccccc1)C[C@H]1CCCCN1CCO ZINC000079414220 363597061 /nfs/dbraw/zinc/59/70/61/363597061.db2.gz KVNDXFIABUZSGL-QGZVFWFLSA-N 1 0 276.424 2.355 40 0 CEABRO CCN(Cc1ccccc1F)C(=O)[C@@H]([NH3+])C(C)C ZINC000079420611 363599022 /nfs/dbraw/zinc/59/90/22/363599022.db2.gz MTRTUDPKTKCABK-ZDUSSCGKSA-N 1 0 252.333 2.158 40 0 CEABRO CC(C)[N@H+](CCO)Cc1ccnc(Br)c1 ZINC000079421551 363598324 /nfs/dbraw/zinc/59/83/24/363598324.db2.gz XCAIBBFRQINZBZ-UHFFFAOYSA-N 1 0 273.174 2.047 40 0 CEABRO [NH3+]CC(=O)N(Cc1c(Cl)cccc1Cl)C1CC1 ZINC000079420246 363598607 /nfs/dbraw/zinc/59/86/07/363598607.db2.gz RQBJMFMMHVVFBQ-UHFFFAOYSA-N 1 0 273.163 2.443 40 0 CEABRO CC(C)[C@H]([NH3+])C(=O)N(C(C)C)[C@@H](C)c1ccccn1 ZINC000079421842 363598624 /nfs/dbraw/zinc/59/86/24/363598624.db2.gz AYHYSKOUAFZWKZ-JSGCOSHPSA-N 1 0 263.385 2.363 40 0 CEABRO CC[NH+](CC)CCOC(=O)c1ccc(NC(=O)OC)cc1 ZINC000001634160 361212531 /nfs/dbraw/zinc/21/25/31/361212531.db2.gz PMVXNOWUYZAOLP-UHFFFAOYSA-N 1 0 294.351 2.364 40 0 CEABRO CCC[C@@H](C)[NH2+]CCOC(=O)c1ccc(N)cc1 ZINC000001710442 361218831 /nfs/dbraw/zinc/21/88/31/361218831.db2.gz BUKFDGRRAJZQKX-LLVKDONJSA-N 1 0 250.342 2.204 40 0 CEABRO CC(C)(C)OC(=O)NCCc1cccc(CC(N)=[NH2+])c1 ZINC000002599203 361242841 /nfs/dbraw/zinc/24/28/41/361242841.db2.gz XYHDEDAQMKHOTH-UHFFFAOYSA-N 1 0 277.368 2.232 40 0 CEABRO [NH3+][C@@H](Cc1cc(=O)[nH]c(-c2cccnc2)n1)c1ccccc1 ZINC000019369427 361527512 /nfs/dbraw/zinc/52/75/12/361527512.db2.gz XKBNQTCVSSZSHE-HNNXBMFYSA-N 1 0 292.342 2.074 40 0 CEABRO [NH3+]C[C@@H](c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC000019861943 361562703 /nfs/dbraw/zinc/56/27/03/361562703.db2.gz BXAAYLWVMFJKKN-LBPRGKRZSA-N 1 0 275.179 2.325 40 0 CEABRO Cc1ccccc1NC(=O)COc1ccc(C[NH3+])cc1 ZINC000019399597 361531180 /nfs/dbraw/zinc/53/11/80/361531180.db2.gz MHGJLPVPANHEHH-UHFFFAOYSA-N 1 0 270.332 2.471 40 0 CEABRO CC[N@@H+]1CCC[C@@H]1CNCc1cc2ccccc2[nH]c1=O ZINC000023247895 361596369 /nfs/dbraw/zinc/59/63/69/361596369.db2.gz DRSRDWJTYXPTQW-OAHLLOKOSA-N 1 0 285.391 2.102 40 0 CEABRO CC[NH+](CC)CCCN[C@H](C)C(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000026439642 361640306 /nfs/dbraw/zinc/64/03/06/361640306.db2.gz HNOIFNMTCSBWKU-HRCADAONSA-N 1 0 297.487 2.486 40 0 CEABRO COc1ccc(OC[C@@H](O)C[NH2+]Cc2ccccc2)cc1 ZINC000026896776 361647375 /nfs/dbraw/zinc/64/73/75/361647375.db2.gz URVZVBJFESVFCG-HNNXBMFYSA-N 1 0 287.359 2.225 40 0 CEABRO CC[N@@H+]1CC[C@]2(C1)COCc1cnc(-c3cccnc3)nc12 ZINC000096244283 364415734 /nfs/dbraw/zinc/41/57/34/364415734.db2.gz DUUDUSBRGORMPC-KRWDZBQOSA-N 1 0 296.374 2.032 40 0 CEABRO O=C1C[C@@]2(CC[N@H+](Cc3ccco3)C2)CN1c1ccccn1 ZINC000096239154 364416189 /nfs/dbraw/zinc/41/61/89/364416189.db2.gz OWOXVTQZNHAIBM-QGZVFWFLSA-N 1 0 297.358 2.304 40 0 CEABRO CNC(=O)N[C@@H]1CC2(CC[NH+](C)CC2)c2ccc(C)cc21 ZINC000096241797 364416657 /nfs/dbraw/zinc/41/66/57/364416657.db2.gz HQWYOOXFESPZPJ-OAHLLOKOSA-N 1 0 287.407 2.332 40 0 CEABRO C[N@@H+]1CCc2c(c(COc3ccccn3)nn2CC2CC2)C1 ZINC000096259833 364418577 /nfs/dbraw/zinc/41/85/77/364418577.db2.gz WAQCRUKMJZMDGK-UHFFFAOYSA-N 1 0 298.390 2.255 40 0 CEABRO [NH3+]Cc1ccc(Cl)c(I)c1 ZINC000098096521 364531928 /nfs/dbraw/zinc/53/19/28/364531928.db2.gz KPGQCRBDKSTSFT-UHFFFAOYSA-N 1 0 267.497 2.403 40 0 CEABRO Cc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@H]2[NH3+])cc1 ZINC000218444959 370209994 /nfs/dbraw/zinc/20/99/94/370209994.db2.gz MBUUNKJRMFXISU-OWCLPIDISA-N 1 0 287.384 2.262 40 0 CEABRO [NH3+][C@H]1[C@@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218560357 370211593 /nfs/dbraw/zinc/21/15/93/370211593.db2.gz HLGWVPWZGOSSBP-ILXRZTDVSA-N 1 0 291.347 2.093 40 0 CEABRO O=C(NC1CC1)[C@H](c1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000217527002 370197019 /nfs/dbraw/zinc/19/70/19/370197019.db2.gz QKOSJXSMZBTSRE-LSDHHAIUSA-N 1 0 258.365 2.191 40 0 CEABRO CCC[N@@H+]1CC[C@@]2(C[C@H]2C(=O)N(C)Cc2ccccn2)C1 ZINC000248115898 371162055 /nfs/dbraw/zinc/16/20/55/371162055.db2.gz LKCKXOLVHVLMBV-DOTOQJQBSA-N 1 0 287.407 2.162 40 0 CEABRO CC[C@@H](C)[N@@H+]1CC[C@@]2(CCN(Cc3ccccn3)C2=O)C1 ZINC000248209655 371169738 /nfs/dbraw/zinc/16/97/38/371169738.db2.gz CMLSGLZDEUOFTP-PBHICJAKSA-N 1 0 287.407 2.305 40 0 CEABRO C[C@]1(C(F)(F)F)CN(Cc2ccccc2)C[C@H]1[NH3+] ZINC000253380195 371511527 /nfs/dbraw/zinc/51/15/27/371511527.db2.gz CZGZLVAKCFYPMR-NEPJUHHUSA-N 1 0 258.287 2.398 40 0 CEABRO CNc1cccc([C@H]2CN(c3cccc(C)n3)CCO2)n1 ZINC000257285038 371609732 /nfs/dbraw/zinc/60/97/32/371609732.db2.gz PFIKZDFEZSXJIZ-CQSZACIVSA-N 1 0 284.363 2.405 40 0 CEABRO C[NH+]1CCC2(CC1)OCC[C@@H]2CCOCc1ccncc1 ZINC000248083383 189944592 /nfs/dbraw/zinc/94/45/92/189944592.db2.gz QVBUGDYWFZEAFM-INIZCTEOSA-N 1 0 290.407 2.489 40 0 CEABRO FCCn1nccc1C[NH2+]Cc1cc(F)cc(F)c1 ZINC000256052640 190004420 /nfs/dbraw/zinc/00/44/20/190004420.db2.gz ODCFCTDJJMHLQP-UHFFFAOYSA-N 1 0 269.270 2.421 40 0 CEABRO COc1ccc(CC[NH2+]Cc2c(C)cnn2C)cc1OC ZINC000256055110 190005800 /nfs/dbraw/zinc/00/58/00/190005800.db2.gz ZGHFIWYCTWZGMD-UHFFFAOYSA-N 1 0 289.379 2.078 40 0 CEABRO C[NH+](C)Cc1ccnc([C@H]2CCCN2Cc2cccnc2)n1 ZINC000257200977 190010699 /nfs/dbraw/zinc/01/06/99/190010699.db2.gz AFPSRUACCFZLDS-MRXNPFEDSA-N 1 0 297.406 2.270 40 0 CEABRO CC(=O)N1CCCC[C@@H]2[NH2+][C@H](c3ccccc3)C[C@H]21 ZINC000257206686 190011447 /nfs/dbraw/zinc/01/14/47/190011447.db2.gz BEMZDYJWQOLYSY-HRCADAONSA-N 1 0 258.365 2.491 40 0 CEABRO O=C(Cc1ccsc1)N1CCCC[C@H]2C[NH2+]CC[C@H]21 ZINC000257211605 190012198 /nfs/dbraw/zinc/01/21/98/190012198.db2.gz BZMZZYZHXIDSHO-UONOGXRCSA-N 1 0 278.421 2.281 40 0 CEABRO C[NH+](C)Cc1cnn(-c2ccccc2C(=O)N2CCCC2)c1 ZINC000257210755 190012479 /nfs/dbraw/zinc/01/24/79/190012479.db2.gz BWAXWWFXSJHLFM-UHFFFAOYSA-N 1 0 298.390 2.170 40 0 CEABRO Cc1cccc(Nc2cncc([C@H]3CCC[NH2+]C3)n2)n1 ZINC000257222133 190014593 /nfs/dbraw/zinc/01/45/93/190014593.db2.gz DSBPQXYMUCIHON-LBPRGKRZSA-N 1 0 269.352 2.391 40 0 CEABRO Cc1nc(NC[C@]2(C)CCCO2)cc(C2CC[NH2+]CC2)n1 ZINC000257224458 190015087 /nfs/dbraw/zinc/01/50/87/190015087.db2.gz FBXUAKNDSYEGRS-INIZCTEOSA-N 1 0 290.411 2.233 40 0 CEABRO Cc1cc(-c2cncc(C[C@@H]3CCC[N@@H+](C)C3)n2)n[nH]1 ZINC000257266958 190022890 /nfs/dbraw/zinc/02/28/90/190022890.db2.gz MFIKSQKIAQBZGH-LBPRGKRZSA-N 1 0 271.368 2.059 40 0 CEABRO c1ncc(C[N@H+]2CCC[C@H](Cc3cccnc3)C2)[nH]1 ZINC000257264899 190022924 /nfs/dbraw/zinc/02/29/24/190022924.db2.gz LWKZPFDMFMDUJR-CQSZACIVSA-N 1 0 256.353 2.259 40 0 CEABRO Cn1cncc1-c1ccc(CC2CC[NH2+]CC2)cn1 ZINC000257280408 190025736 /nfs/dbraw/zinc/02/57/36/190025736.db2.gz OKSAEPYXLAQVDU-UHFFFAOYSA-N 1 0 256.353 2.024 40 0 CEABRO Cc1nc[nH]c1C[N@@H+]1CCC[C@H](c2ccnc(C)n2)C1 ZINC000257288206 190026820 /nfs/dbraw/zinc/02/68/20/190026820.db2.gz PTIDKTKHYIFMEA-ZDUSSCGKSA-N 1 0 271.368 2.196 40 0 CEABRO Cc1cc(Nc2cccc(CC3CC[NH2+]CC3)n2)n[nH]1 ZINC000257287257 190027144 /nfs/dbraw/zinc/02/71/44/190027144.db2.gz PPEBPYMUKLDCLF-UHFFFAOYSA-N 1 0 271.368 2.399 40 0 CEABRO Cc1cnccc1C[N@H+]1CC[C@@H]2[C@@H](C1)CCCC(=O)N2C ZINC000257315514 190032516 /nfs/dbraw/zinc/03/25/16/190032516.db2.gz VBTFNZBAGDUZJZ-HZPDHXFCSA-N 1 0 287.407 2.223 40 0 CEABRO Cc1ncc(-c2cncc(C[C@@H]3CCC[NH2+]C3)n2)s1 ZINC000257320171 190033398 /nfs/dbraw/zinc/03/33/98/190033398.db2.gz VVQBKWSERNNUGK-NSHDSACASA-N 1 0 274.393 2.451 40 0 CEABRO CCc1nccn1-c1ccnc([C@H]2CCC[NH2+]C2)c1 ZINC000257329560 190034782 /nfs/dbraw/zinc/03/47/82/190034782.db2.gz XKLVVYSERLPWMC-LBPRGKRZSA-N 1 0 256.353 2.297 40 0 CEABRO O=C(Nc1cccc(Cl)c1)C1=NO[C@]2(C1)CCC[NH2+]C2 ZINC000306127183 376540920 /nfs/dbraw/zinc/54/09/20/376540920.db2.gz FRCDLFWAQNTLER-AWEZNQCLSA-N 1 0 293.754 2.177 40 0 CEABRO C[N@@H+]1CC[C@@]2(c3ccccc3)CCN(C(=O)NC3CC3)C[C@@H]12 ZINC000306140031 376541408 /nfs/dbraw/zinc/54/14/08/376541408.db2.gz UHTREDXJIPCEJL-AEFFLSMTSA-N 1 0 299.418 2.206 40 0 CEABRO Cc1n[n+]([C@H]2C[C@H](C)CC[C@@H]2C(C)C)c(C)n1N ZINC000001317977 256801560 /nfs/dbraw/zinc/80/15/60/256801560.db2.gz QGFPTKRBRCLMCN-HONMWMINSA-N 1 0 251.398 2.135 40 0 CEABRO Cc1cnc(N2CC[C@@]3(CCC[N@H+]3CC(C)C)C2)nc1 ZINC000096203041 256822490 /nfs/dbraw/zinc/82/24/90/256822490.db2.gz ODOHAVAPOFUHEW-INIZCTEOSA-N 1 0 274.412 2.486 40 0 CEABRO [NH3+]CCCCCNc1ccc(Br)cn1 ZINC000012648189 260063465 /nfs/dbraw/zinc/06/34/65/260063465.db2.gz SHQXYHKQMRBRES-UHFFFAOYSA-N 1 0 258.163 2.385 40 0 CEABRO Cc1ccc(CCC(=O)NCCC[NH+](C)C)cc1C ZINC000224729170 394466933 /nfs/dbraw/zinc/46/69/33/394466933.db2.gz HFIRSQPGJNZJHM-UHFFFAOYSA-N 1 0 262.397 2.304 40 0 CEABRO CC(C)[N@@H+]1CCC[C@H]1c1cccnc1N1CCOCC1 ZINC000072216222 394593292 /nfs/dbraw/zinc/59/32/92/394593292.db2.gz SJRBXFIGOABRLX-HNNXBMFYSA-N 1 0 275.396 2.464 40 0 CEABRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCOCC2)nc1 ZINC000072216178 394593418 /nfs/dbraw/zinc/59/34/18/394593418.db2.gz QHNAMJQGCIHUHM-OAHLLOKOSA-N 1 0 275.396 2.465 40 0 CEABRO CSc1ncc(C[NH2+]Cc2ccc3c(c2)OCO3)cn1 ZINC000062717222 394570925 /nfs/dbraw/zinc/57/09/25/394570925.db2.gz HWCZYXHBBOXRGK-UHFFFAOYSA-N 1 0 289.360 2.217 40 0 CEABRO CNc1ncc(C[NH2+]C2C3CC4CC(C3)CC2C4)cn1 ZINC000062717430 394571154 /nfs/dbraw/zinc/57/11/54/394571154.db2.gz ALMBGZJNLDWBCA-UHFFFAOYSA-N 1 0 272.396 2.433 40 0 CEABRO CC[C@H](O)c1ccc(N2CC[NH+](C(C)C)CC2)nc1 ZINC000072225612 394595332 /nfs/dbraw/zinc/59/53/32/394595332.db2.gz NMNZCUYURZLUPZ-AWEZNQCLSA-N 1 0 263.385 2.055 40 0 CEABRO C[C@@H]([C@@H]([NH3+])c1ccc(Cl)cc1Cl)S(C)(=O)=O ZINC000096524797 394696636 /nfs/dbraw/zinc/69/66/36/394696636.db2.gz CRSGAXNLFOHEJE-QUBYGPBYSA-N 1 0 282.192 2.426 40 0 CEABRO CC(C)[N@@H+]1CCC[C@H]1c1cnc(-c2ccnn2C)cn1 ZINC000257205892 400317314 /nfs/dbraw/zinc/31/73/14/400317314.db2.gz BAZLQWTWEDRHOI-HNNXBMFYSA-N 1 0 271.368 2.422 40 0 CEABRO CCSc1nnc(CC[NH2+]C2CCCC2)n1C ZINC000005001734 170053033 /nfs/dbraw/zinc/05/30/33/170053033.db2.gz CUSIIKFGRSFIQW-UHFFFAOYSA-N 1 0 254.403 2.002 40 0 CEABRO CCOc1ccc(C[C@H](O)C[NH2+]CC(C)C)cc1 ZINC000006411270 170199207 /nfs/dbraw/zinc/19/92/07/170199207.db2.gz IYGBTDLBFZDZNP-AWEZNQCLSA-N 1 0 251.370 2.234 40 0 CEABRO CCOc1ccc([C@H](C[NH3+])N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000022166641 171366270 /nfs/dbraw/zinc/36/62/70/171366270.db2.gz KZMZFCSIRMTEJX-XEZPLFJOSA-N 1 0 278.396 2.194 40 0 CEABRO CC(C)Oc1ccc2nc(N3CC[NH2+]CC3)sc2c1 ZINC000072209857 176342756 /nfs/dbraw/zinc/34/27/56/176342756.db2.gz JLQMYTROQGNFOJ-UHFFFAOYSA-N 1 0 277.393 2.493 40 0 CEABRO Cc1cccc(C2(O)CC[NH+](Cc3cnn(C)c3)CC2)c1 ZINC000072344685 176372988 /nfs/dbraw/zinc/37/29/88/176372988.db2.gz VPRTYMCGXVMNMN-UHFFFAOYSA-N 1 0 285.391 2.212 40 0 CEABRO Nc1ncc(-c2ccccc2)c([C@@H]2CCCC[N@@H+]2CCO)n1 ZINC000072354570 176374814 /nfs/dbraw/zinc/37/48/14/176374814.db2.gz DJYSVJGZYVLTEV-HNNXBMFYSA-N 1 0 298.390 2.245 40 0 CEABRO CC(C)c1nccn1-c1nccnc1[C@@H]1CCC[NH2+]1 ZINC000072356391 176375749 /nfs/dbraw/zinc/37/57/49/176375749.db2.gz OCDMERXEASPHHG-NSHDSACASA-N 1 0 257.341 2.210 40 0 CEABRO Cc1c[nH]nc1C1CC[NH+](Cc2ccncc2)CC1 ZINC000072363777 176378422 /nfs/dbraw/zinc/37/84/22/176378422.db2.gz CLBOJGCABLLOTO-UHFFFAOYSA-N 1 0 256.353 2.493 40 0 CEABRO Cc1nc[nH]c1C[N@@H+]1CC[C@H](c2nc(C)cc(C)n2)C1 ZINC000072369806 176384199 /nfs/dbraw/zinc/38/41/99/176384199.db2.gz OMOCPVCIVLOTGZ-ZDUSSCGKSA-N 1 0 271.368 2.114 40 0 CEABRO c1cnc(Nc2ccc([C@@H]3CCCC[NH2+]3)cn2)cn1 ZINC000072376702 176385067 /nfs/dbraw/zinc/38/50/67/176385067.db2.gz JUDJPNOZPPOSCK-LBPRGKRZSA-N 1 0 255.325 2.430 40 0 CEABRO Cc1nc(Cc2ccccc2)cc([C@@H]2CC[NH2+]C2)n1 ZINC000072384563 176388988 /nfs/dbraw/zinc/38/89/88/176388988.db2.gz CTIXMCQLWQDXAI-CQSZACIVSA-N 1 0 253.349 2.453 40 0 CEABRO COC(=O)[C@@]1(Cc2ccccc2-c2ccncc2)CC[NH2+]C1 ZINC000072390518 176393847 /nfs/dbraw/zinc/39/38/47/176393847.db2.gz MRXDHAGQWCCSOC-GOSISDBHSA-N 1 0 296.370 2.444 40 0 CEABRO C[C@@H]1CCc2c(sc3ncnc(N4CC[NH2+]CC4)c23)C1 ZINC000013998632 274320594 /nfs/dbraw/zinc/32/05/94/274320594.db2.gz MSQUXTRYROOXEG-SNVBAGLBSA-N 1 0 288.420 2.226 40 0 CEABRO C[NH2+][C@@H]1Cc2c[nH]c3cccc(c23)[C@]12C=C(C)C(=O)O2 ZINC000001559982 277296495 /nfs/dbraw/zinc/29/64/95/277296495.db2.gz QTWQJTORJVFWAQ-CZUORRHYSA-N 1 0 268.316 2.010 40 0 CEABRO C[C@H]1OC(=O)[C@H]2CC[C@H]3c4ccccc4CC[N@@H+]3[C@@H]12 ZINC000005530788 280052362 /nfs/dbraw/zinc/05/23/62/280052362.db2.gz RFAUXYMFAVVSFU-KJEVXHAQSA-N 1 0 257.333 2.310 40 0 CEABRO CN(C)c1cc[n+](-c2nc3sc(Cl)nc3s2)cc1 ZINC000255188933 280177866 /nfs/dbraw/zinc/17/78/66/280177866.db2.gz MRCMKGUNGQJDTF-UHFFFAOYSA-N 1 0 297.816 2.229 40 0 CEABRO O=C1CC2(CN1)CC[NH+](Cc1ccc(Cl)cc1)CC2 ZINC000075012226 280248951 /nfs/dbraw/zinc/24/89/51/280248951.db2.gz LVINYXDBLNAYEQ-UHFFFAOYSA-N 1 0 278.783 2.442 40 0 CEABRO CN1c2ccccc2O[C@H]2C[C@@H](C1=O)[N@@H+](C1CCC1)C2 ZINC000096111902 290320813 /nfs/dbraw/zinc/32/08/13/290320813.db2.gz FITWSLKYNCCIQN-JSGCOSHPSA-N 1 0 272.348 2.037 40 0 biogenic,in-vitro CEABRO COc1ccc(CCN2CC[NH2+][C@@H]3CCC[C@H]32)cc1 ZINC000218842275 333136971 /nfs/dbraw/zinc/13/69/71/333136971.db2.gz XPVMECDKJUEICT-HZPDHXFCSA-N 1 0 260.381 2.064 40 0 CEABRO COC(=O)[C@H](C[NH3+])c1c[nH]c2ccc(Br)cc21 ZINC000027851458 333207694 /nfs/dbraw/zinc/20/76/94/333207694.db2.gz BKJDOBXUPXAYNW-SECBINFHSA-N 1 0 297.152 2.146 40 0 CEABRO O=C1[C@H]2C[N@H+](Cc3cccnc3)C[C@@H]2CN1c1ccccc1 ZINC000096053595 185074507 /nfs/dbraw/zinc/07/45/07/185074507.db2.gz OGHHDTIIPQZBSA-WBVHZDCISA-N 1 0 293.370 2.176 40 0 CEABRO COC[C@@]12CCCO[C@H]1CC[N@H+](Cc1cccnc1)C2 ZINC000096056725 185077968 /nfs/dbraw/zinc/07/79/68/185077968.db2.gz MUKJZWFPHMTUTQ-HOTGVXAUSA-N 1 0 276.380 2.099 40 0 CEABRO O[C@@H]1CC2(CC[NH2+]CC2)Oc2ccc(Br)cc21 ZINC000036141233 361831673 /nfs/dbraw/zinc/83/16/73/361831673.db2.gz PLEOWRYUSJWZLB-LLVKDONJSA-N 1 0 298.180 2.387 40 0 CEABRO Cc1ncnc2c1CC[N@H+](Cc1ccsc1)CC2 ZINC000096058589 282225335 /nfs/dbraw/zinc/22/53/35/282225335.db2.gz YRINONXTHBYRGS-UHFFFAOYSA-N 1 0 259.378 2.447 40 0 CEABRO Cc1nc(C)c(C(=O)NCC[NH+]2C[C@@H](C)C[C@H](C)C2)s1 ZINC000046882137 362188805 /nfs/dbraw/zinc/18/88/05/362188805.db2.gz RKGHATGFEOVQIO-QWRGUYRKSA-N 1 0 295.452 2.468 40 0 CEABRO CCCOC(=O)Cc1c2ccccc2n2c1CC[C@H]([NH3+])C2 ZINC000214947808 344533892 /nfs/dbraw/zinc/53/38/92/344533892.db2.gz MEIPQIOVMQOUBQ-LBPRGKRZSA-N 1 0 286.375 2.411 40 0 CEABRO OCC(CO)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000224986873 344544765 /nfs/dbraw/zinc/54/47/65/344544765.db2.gz XGOTUSPDZPAHSK-UHFFFAOYSA-N 1 0 285.387 2.290 40 0 CEABRO CC(C)CC[N@@H+]1C[C@H]2CN(c3ncccn3)CC[C@H]21 ZINC000585107983 345005572 /nfs/dbraw/zinc/00/55/72/345005572.db2.gz PYXNWZCQMGQFSB-UONOGXRCSA-N 1 0 260.385 2.033 40 0 CEABRO COCC[NH2+][C@H]1CCC[C@@H](Oc2cccc(Cl)c2)[C@@H]1O ZINC000585289714 345010436 /nfs/dbraw/zinc/01/04/36/345010436.db2.gz VWLWDZDSHGTPCB-RRFJBIMHSA-N 1 0 299.798 2.237 40 0 CEABRO CC[NH+](CC)CCCN[C@@H](C)C(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000057467089 362581414 /nfs/dbraw/zinc/58/14/14/362581414.db2.gz HXTWJHKANGPBIS-JYJNAYRXSA-N 1 0 297.487 2.201 40 0 CEABRO Cc1ccc(-c2ccc3nnc([C@@H](C)[NH3+])n3n2)cc1C ZINC000058021769 362606415 /nfs/dbraw/zinc/60/64/15/362606415.db2.gz QMTMDXWAOIIATA-LLVKDONJSA-N 1 0 267.336 2.428 40 0 CEABRO Nc1c[nH+]ccc1N1CCN(c2ccccc2F)CC1 ZINC000001718156 136551496 /nfs/dbraw/zinc/55/14/96/136551496.db2.gz USUIHMYULNQRMI-UHFFFAOYSA-N 1 0 272.327 2.130 40 0 CEABRO Cc1nc(-c2ccc(F)cc2)cc(N2CC[C@H]([NH3+])C2)n1 ZINC000070458548 363086062 /nfs/dbraw/zinc/08/60/62/363086062.db2.gz ZUCXWFYRPIBZKG-ZDUSSCGKSA-N 1 0 272.327 2.129 40 0 CEABRO O=C1N(c2ccccc2)C[C@H]2C[N@H+](C3CCC3)CCN12 ZINC000077266474 363545707 /nfs/dbraw/zinc/54/57/07/363545707.db2.gz PYZLRDUVURGAJS-OAHLLOKOSA-N 1 0 271.364 2.165 40 0 biogenic,in-vitro CEABRO C[C@H]([NH3+])C(=O)N(Cc1ccccc1Cl)C1CC1 ZINC000079420597 363599464 /nfs/dbraw/zinc/59/94/64/363599464.db2.gz ZGJWHWBVTNFXHD-VIFPVBQESA-N 1 0 252.745 2.178 40 0 CEABRO CN(C)C(=O)Oc1ccc[n+](Cc2ccccc2)c1 ZINC000000001020 361116543 /nfs/dbraw/zinc/11/65/43/361116543.db2.gz JWSLMDWREGSKAJ-UHFFFAOYSA-N 1 0 257.313 2.083 40 0 in-man CEABRO COc1cc(C(=O)CC[NH+]2CCCCC2)ccc1O ZINC000001646435 361213631 /nfs/dbraw/zinc/21/36/31/361213631.db2.gz LIWWBRVKSGQBIL-UHFFFAOYSA-N 1 0 263.337 2.460 40 0 CEABRO [NH3+]C[C@H](O)COc1cccc2[nH]c3ccccc3c21 ZINC000002382386 361232684 /nfs/dbraw/zinc/23/26/84/361232684.db2.gz UUUATVREIARQHR-JTQLQIEISA-N 1 0 256.305 2.020 40 0 CEABRO CC(C)[C@H]1C[C@@](c2ccccc2)([C@@H](C[NH3+])CO)CCO1 ZINC000004006535 361295879 /nfs/dbraw/zinc/29/58/79/361295879.db2.gz GNWJGDYYXVWTCX-BBWFWOEESA-N 1 0 277.408 2.327 40 0 CEABRO CCCCn1nc2nc(N3CC[NH2+]CC3)cc(C)c2c1C ZINC000012398900 361383105 /nfs/dbraw/zinc/38/31/05/361383105.db2.gz SDHYWSWKJMAFIB-UHFFFAOYSA-N 1 0 287.411 2.258 40 0 CEABRO c1cncc(C[N@@H+]2CCC[C@@H](c3[nH]nc4nccnc43)C2)c1 ZINC000019339041 361528384 /nfs/dbraw/zinc/52/83/84/361528384.db2.gz JHSJWLYRGHNTAQ-CYBMUJFWSA-N 1 0 294.362 2.128 40 0 CEABRO COc1cccc(CN2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c1 ZINC000019575782 361543974 /nfs/dbraw/zinc/54/39/74/361543974.db2.gz YWXCEYSSIJOVDP-DZGCQCFKSA-N 1 0 260.381 2.364 40 0 CEABRO CC[NH+](CC)CCNCc1cc(OC)c(OC)cc1OC ZINC000019919168 361567654 /nfs/dbraw/zinc/56/76/54/361567654.db2.gz DFGIPAJXZVQHJQ-UHFFFAOYSA-N 1 0 296.411 2.144 40 0 CEABRO CCOC[C@@H]1CC[C@H]2[C@H](CC[N@@H+]2Cc2c(C)noc2C)O1 ZINC000096186048 364406793 /nfs/dbraw/zinc/40/67/93/364406793.db2.gz VAUHOWLAXWIMEE-BPUTZDHNSA-N 1 0 294.395 2.450 40 0 CEABRO COc1ccc(C[N@@H+]2CC[C@@H](O)[C@@H]2Cc2ccncc2)cc1 ZINC000096200279 364411274 /nfs/dbraw/zinc/41/12/74/364411274.db2.gz YXODIXGVYCKSIP-ZWKOTPCHSA-N 1 0 298.386 2.268 40 0 CEABRO c1coc(CN2C[C@H]3C[C@@H](C2)C[N@@H+](C[C@@H]2CCOC2)C3)c1 ZINC000096252324 364416469 /nfs/dbraw/zinc/41/64/69/364416469.db2.gz CDHZTPDFSWQDBP-HRCADAONSA-N 1 0 290.407 2.070 40 0 CEABRO CC[C@H](Oc1ccccc1)C(=O)NC1CC[NH+](C)CC1 ZINC000113969104 364921497 /nfs/dbraw/zinc/92/14/97/364921497.db2.gz DJNLXIWPTUTYBB-HNNXBMFYSA-N 1 0 276.380 2.054 40 0 CEABRO Cc1ccc(CC(=O)NC2CC[NH+](C)CC2)c(C)c1 ZINC000222721633 370257015 /nfs/dbraw/zinc/25/70/15/370257015.db2.gz WLOYEVGIQJSWSQ-UHFFFAOYSA-N 1 0 260.381 2.056 40 0 CEABRO Cc1ccc(CCC(=O)NC2CC[NH+](C)CC2)cc1C ZINC000224286325 370277744 /nfs/dbraw/zinc/27/77/44/370277744.db2.gz UJSXNBFIGFZPJW-UHFFFAOYSA-N 1 0 274.408 2.446 40 0 CEABRO [NH3+]CCSc1n[nH]c(-c2ccc(Cl)cc2)n1 ZINC000224978776 370284620 /nfs/dbraw/zinc/28/46/20/370284620.db2.gz XZPKNDSNSQRGBT-UHFFFAOYSA-N 1 0 254.746 2.176 40 0 CEABRO Cc1cccc(N2CCO[C@@H](c3cccc(N(C)C)n3)C2)n1 ZINC000257283124 371610270 /nfs/dbraw/zinc/61/02/70/371610270.db2.gz OWVVLVDYQKHAOI-OAHLLOKOSA-N 1 0 298.390 2.429 40 0 CEABRO Cc1cc(CN2CCC[C@H]2c2cncc(C)n2)no1 ZINC000257344315 371613661 /nfs/dbraw/zinc/61/36/61/371613661.db2.gz ZWPUDNBOYJRISZ-AWEZNQCLSA-N 1 0 258.325 2.419 40 0 CEABRO CCn1cc(CNCCC[NH+](CC)CC)c(C)n1 ZINC000256050006 190002851 /nfs/dbraw/zinc/00/28/51/190002851.db2.gz CGJBFXZMAPLFGM-UHFFFAOYSA-N 1 0 252.406 2.033 40 0 CEABRO CN(C(=O)C1CCCC1)[C@@H]1CCC[C@@H]([NH+]2CCCC2)[C@@H]1O ZINC000257202193 190010915 /nfs/dbraw/zinc/01/09/15/190010915.db2.gz AKVBYQGGFFWEBQ-BZUAXINKSA-N 1 0 294.439 2.013 40 0 CEABRO Cn1ccnc1C[N@@H+]1CCC[C@H]1CCc1ccncc1 ZINC000257209575 190012094 /nfs/dbraw/zinc/01/20/94/190012094.db2.gz BQXMNTZYQLRJKK-HNNXBMFYSA-N 1 0 270.380 2.412 40 0 CEABRO c1ccc(C[C@H]2COCC[N@H+](Cc3ccccn3)C2)nc1 ZINC000257208341 190012387 /nfs/dbraw/zinc/01/23/87/190012387.db2.gz BLTHNOQMDMAQSP-OAHLLOKOSA-N 1 0 283.375 2.168 40 0 CEABRO Cc1c[nH]c([C@H]2CCC[N@H+](Cc3ccccn3)C2)n1 ZINC000257214262 190012812 /nfs/dbraw/zinc/01/28/12/190012812.db2.gz CLHNKVHCOOTQFK-ZDUSSCGKSA-N 1 0 256.353 2.493 40 0 CEABRO Cc1noc(C)c1-c1nccnc1C[C@H]1CCC[NH2+]C1 ZINC000257227681 190015459 /nfs/dbraw/zinc/01/54/59/190015459.db2.gz FQKNAYLQBOODHA-GFCCVEGCSA-N 1 0 272.352 2.291 40 0 CEABRO CC(C)c1cc(C(=O)N2CC[C@](O)(C[NH+](C)C)C2)cs1 ZINC000257225625 190015531 /nfs/dbraw/zinc/01/55/31/190015531.db2.gz FHAYLLOLWHQMMI-HNNXBMFYSA-N 1 0 296.436 2.010 40 0 CEABRO C[C@@]1(O)CC[N@H+](Cc2cccnc2)C[C@H]1Oc1ccccc1 ZINC000257225499 190015664 /nfs/dbraw/zinc/01/56/64/190015664.db2.gz FGMZAYMZRFXXNS-QZTJIDSGSA-N 1 0 298.386 2.486 40 0 CEABRO Cc1ncc(-c2ccc(C[C@@H]3CCC[NH2+]C3)cn2)n1C ZINC000257247737 190019571 /nfs/dbraw/zinc/01/95/71/190019571.db2.gz JAGGORQAMLISLK-ZDUSSCGKSA-N 1 0 270.380 2.333 40 0 CEABRO CCCn1nccc1-c1cnc(C[C@H]2CCC[NH2+]C2)cn1 ZINC000257261911 190021986 /nfs/dbraw/zinc/02/19/86/190021986.db2.gz LJHASPPOZJYITH-CYBMUJFWSA-N 1 0 285.395 2.292 40 0 CEABRO COc1ccccc1C[NH+]1CCC2(CC1)OCCC[C@@H]2O ZINC000257277785 190025356 /nfs/dbraw/zinc/02/53/56/190025356.db2.gz NZJBBGIDJODBDL-INIZCTEOSA-N 1 0 291.391 2.201 40 0 CEABRO Cn1ccc(C[N@@H+]2CCC[C@H](Cc3cccnc3)C2)n1 ZINC000257280313 190025600 /nfs/dbraw/zinc/02/56/00/190025600.db2.gz OKJDUTDNZLDIBI-OAHLLOKOSA-N 1 0 270.380 2.270 40 0 CEABRO CC(C)[N@@H+]1CCC[C@@H](c2cnc(-c3cn[nH]c3)cn2)C1 ZINC000257279702 190025681 /nfs/dbraw/zinc/02/56/81/190025681.db2.gz OHUIMLUBNLNZBO-GFCCVEGCSA-N 1 0 271.368 2.455 40 0 CEABRO CCn1cc(C[N@@H+]2CC[C@H](c3nccc(C)n3)C2)c(C)n1 ZINC000257284032 190025958 /nfs/dbraw/zinc/02/59/58/190025958.db2.gz PAZOQNVAVOTRQY-AWEZNQCLSA-N 1 0 285.395 2.299 40 0 CEABRO Cn1ccc(C[N@@H+]2CCC[C@@H](Cc3ccccn3)C2)n1 ZINC000257306689 190031425 /nfs/dbraw/zinc/03/14/25/190031425.db2.gz SVJOLQPKMZGKKS-AWEZNQCLSA-N 1 0 270.380 2.270 40 0 CEABRO CCn1cc(C[N@@H+]2CCC[C@H](c3ccncn3)C2)c(C)n1 ZINC000257290725 190027922 /nfs/dbraw/zinc/02/79/22/190027922.db2.gz QEBPXZUSMXUDMJ-AWEZNQCLSA-N 1 0 285.395 2.381 40 0 CEABRO Cc1ncc(-c2cc(CC3CC[NH2+]CC3)ccn2)n1C ZINC000257301219 190030254 /nfs/dbraw/zinc/03/02/54/190030254.db2.gz RXLZXDRNRVAGFZ-UHFFFAOYSA-N 1 0 270.380 2.333 40 0 CEABRO CCCn1cc(C[N@@H+]2CCC[C@@H](c3ccncn3)C2)cn1 ZINC000257321849 190033773 /nfs/dbraw/zinc/03/37/73/190033773.db2.gz WDNMMULLDYDIRF-OAHLLOKOSA-N 1 0 285.395 2.463 40 0 CEABRO Cc1cc(C)nc(Nc2cncc([C@H]3CCC[NH2+]C3)n2)n1 ZINC000257329736 190034946 /nfs/dbraw/zinc/03/49/46/190034946.db2.gz XLHSYRGVOKBHAK-LBPRGKRZSA-N 1 0 284.367 2.094 40 0 CEABRO Cc1nc(Nc2nccs2)cc([C@H]2CC[N@@H+](C)C2)n1 ZINC000257326439 190035070 /nfs/dbraw/zinc/03/50/70/190035070.db2.gz WXFQOWZEHGEQRD-JTQLQIEISA-N 1 0 275.381 2.404 40 0 CEABRO Cc1cc(-c2nccn2C)nc(CC2CC[NH+](C)CC2)n1 ZINC000257344123 190037542 /nfs/dbraw/zinc/03/75/42/190037542.db2.gz ZVVCAPPAVZBJLC-UHFFFAOYSA-N 1 0 285.395 2.070 40 0 CEABRO O=C1CC[C@H]2[C@H](CC[N@@H+]2[C@@H]2CCOC2)N1c1ccccc1 ZINC000096186446 296331400 /nfs/dbraw/zinc/33/14/00/296331400.db2.gz TYHFUJUVUHHYOE-PMPSAXMXSA-N 1 0 286.375 2.045 40 0 CEABRO [NH3+]C[C@@H](c1cc(Cl)cc(Cl)c1)N1CCOCC1 ZINC000037424724 256725541 /nfs/dbraw/zinc/72/55/41/256725541.db2.gz SRTIZPOTUYBHDX-LBPRGKRZSA-N 1 0 275.179 2.325 40 0 CEABRO CCO[P@@](C)(=O)[C@H]([NH3+])Cc1ccc(OC)c(OC)c1 ZINC000001643263 169731674 /nfs/dbraw/zinc/73/16/74/169731674.db2.gz MKZYOIOCNIKTSN-ORAYPTAESA-N 1 0 287.296 2.476 40 0 CEABRO O=C(Nc1ccccc1)c1conc1[C@H]1CCC[NH2+]1 ZINC000072208431 394592348 /nfs/dbraw/zinc/59/23/48/394592348.db2.gz NBGGUVLWNYRDJM-GFCCVEGCSA-N 1 0 257.293 2.351 40 0 CEABRO c1ccc(C[NH2+]Cc2cnc(N3CCCC3)nc2)cc1 ZINC000062717786 394570530 /nfs/dbraw/zinc/57/05/30/394570530.db2.gz VYQIFCKVHHANMH-UHFFFAOYSA-N 1 0 268.364 2.367 40 0 CEABRO Cc1cc([C@H](O)c2ccccc2)cnc1N1CC[NH+](C)CC1 ZINC000072222563 394594488 /nfs/dbraw/zinc/59/44/88/394594488.db2.gz ZJDBEIIRTPHKJF-QGZVFWFLSA-N 1 0 297.402 2.224 40 0 CEABRO OCC[NH+](CCO)C(c1ccccc1)c1ccccc1 ZINC000001665767 296544279 /nfs/dbraw/zinc/54/42/79/296544279.db2.gz BNWSNRZEDSKCHO-UHFFFAOYSA-N 1 0 271.360 2.063 40 0 CEABRO C[NH+](C)C[C@@](O)(C(=O)c1ccccc1)c1ccccc1 ZINC000005599719 170118338 /nfs/dbraw/zinc/11/83/38/170118338.db2.gz FJCGGRSKGXDLFX-KRWDZBQOSA-N 1 0 269.344 2.319 40 0 CEABRO CC(C)(C)OC[C@H](O)C[NH+]1C(C)(C)CC(O)CC1(C)C ZINC000007636345 170294635 /nfs/dbraw/zinc/29/46/35/170294635.db2.gz ZXRAFLNKANQSSN-CYBMUJFWSA-N 1 0 287.444 2.176 40 0 CEABRO Cc1nn(C)cc1-c1cncn1C[C@H](C)[NH+]1CCCCC1 ZINC000019719524 170842771 /nfs/dbraw/zinc/84/27/71/170842771.db2.gz UUOVFNPMMNVNAF-ZDUSSCGKSA-N 1 0 287.411 2.466 40 0 CEABRO CCOc1ccccc1[C@@H](C[NH3+])N1C[C@@H](C)O[C@@H](C)C1 ZINC000022169651 171367184 /nfs/dbraw/zinc/36/71/84/171367184.db2.gz KUHBBCHKJVKJPO-VNHYZAJKSA-N 1 0 278.396 2.194 40 0 CEABRO COc1ccc(NC(=O)COc2ccc(C[NH3+])cc2)cc1 ZINC000022170162 171367896 /nfs/dbraw/zinc/36/78/96/171367896.db2.gz ITGMYVOBJJEMIR-UHFFFAOYSA-N 1 0 286.331 2.171 40 0 CEABRO [NH3+]CCc1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000035532843 172243640 /nfs/dbraw/zinc/24/36/40/172243640.db2.gz HPZVCPYFQHANDK-UHFFFAOYSA-N 1 0 257.215 2.257 40 0 CEABRO CC(C)c1ccccc1NC(=O)CN1CCC[NH2+]CC1 ZINC000037399952 173177516 /nfs/dbraw/zinc/17/75/16/173177516.db2.gz TVUYERIUCRBNDE-UHFFFAOYSA-N 1 0 275.396 2.044 40 0 CEABRO COc1ccc(Cc2cc([C@@H]3CC[NH2+]C3)nc(C)n2)cc1 ZINC000072365019 176379914 /nfs/dbraw/zinc/37/99/14/176379914.db2.gz KRLWVYSXXCDDRL-CQSZACIVSA-N 1 0 283.375 2.461 40 0 CEABRO Cc1nc(-c2ccc(CO)cc2)cc(C2CC[NH2+]CC2)n1 ZINC000072365256 176380342 /nfs/dbraw/zinc/38/03/42/176380342.db2.gz KLTIPXRIPMUDOV-UHFFFAOYSA-N 1 0 283.375 2.411 40 0 CEABRO Cc1cccc(Nc2nccnc2C2CC[NH2+]CC2)n1 ZINC000072383138 176388457 /nfs/dbraw/zinc/38/84/57/176388457.db2.gz FJBGDTGMNHZZMQ-UHFFFAOYSA-N 1 0 269.352 2.391 40 0 CEABRO O=C1CC[C@@H]([NH2+]Cc2cccnc2)[C@H](c2ccccc2F)N1 ZINC000072398314 176396326 /nfs/dbraw/zinc/39/63/26/176396326.db2.gz CMAVTBOYUXXXTR-WBVHZDCISA-N 1 0 299.349 2.330 40 0 CEABRO O=C(C1=CC2(CC[NH2+]CC2)c2ccccc21)N1CCCC1 ZINC000096241613 265345892 /nfs/dbraw/zinc/34/58/92/265345892.db2.gz DOLYNAWDBXJWPC-UHFFFAOYSA-N 1 0 282.387 2.327 40 0 CEABRO c1ccc2c(c1)C[NH2+][C@@H]1CN(c3cccnc3)C[C@@H]21 ZINC000096088794 275070247 /nfs/dbraw/zinc/07/02/47/275070247.db2.gz ZTURSKMYZPKCHW-JKSUJKDBSA-N 1 0 251.333 2.157 40 0 CEABRO CC[NH+]1CCC2(CC1)CC(=O)c1ccc(O)cc1O2 ZINC000225819138 276152304 /nfs/dbraw/zinc/15/23/04/276152304.db2.gz YBXRHWJQTLPRKA-UHFFFAOYSA-N 1 0 261.321 2.212 40 0 CEABRO COc1ccc2c(c1)C(=O)C[C@@H]([C@@H]1CCC[NH2+]C1)O2 ZINC000072398077 277942430 /nfs/dbraw/zinc/94/24/30/277942430.db2.gz CPSTVGWSQCSIHA-BMIGLBTASA-N 1 0 261.321 2.029 40 0 CEABRO [NH3+][C@H]1CCCN(C(=O)c2ccc(F)cc2Cl)C1 ZINC000041028261 295334869 /nfs/dbraw/zinc/33/48/69/295334869.db2.gz VGJFCDHBLIRRGF-VIFPVBQESA-N 1 0 256.708 2.042 40 0 CEABRO Cc1cc(C)n([C@@H](C)C(=O)NCC2([NH+](C)C)CCCC2)n1 ZINC000019716932 301245713 /nfs/dbraw/zinc/24/57/13/301245713.db2.gz YLAGTHHQMJCOBJ-AWEZNQCLSA-N 1 0 292.427 2.052 40 0 CEABRO Cc1ccc(CSCC(=O)NCCC[NH+](C)C)cc1 ZINC000013669691 524640735 /nfs/dbraw/zinc/64/07/35/524640735.db2.gz YFMXUNUFMGXPQS-UHFFFAOYSA-N 1 0 280.437 2.296 40 0 CEABRO c1ncc(C[NH+]2CCC(c3cnccn3)CC2)s1 ZINC000205689979 538836110 /nfs/dbraw/zinc/83/61/10/538836110.db2.gz MBNQAEJWNADDNJ-UHFFFAOYSA-N 1 0 260.366 2.313 40 0 CEABRO C[NH2+]Cc1nc(-c2cc(Cl)ccc2OC)no1 ZINC000256053345 570324130 /nfs/dbraw/zinc/32/41/30/570324130.db2.gz RBRHBANKACFHDF-UHFFFAOYSA-N 1 0 253.689 2.118 40 0 CEABRO CCn1cc(C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)cn1 ZINC000121191843 365534059 /nfs/dbraw/zinc/53/40/59/365534059.db2.gz PXDLOQHUFQZOAH-ZDUSSCGKSA-N 1 0 259.357 2.006 40 0 CEABRO O=C(c1cccc(F)c1)N1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC000033426379 361779453 /nfs/dbraw/zinc/77/94/53/361779453.db2.gz FBOMDWOAAXNDSR-MRXNPFEDSA-N 1 0 276.355 2.432 40 0 CEABRO c1cc(CN2C[C@@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)co1 ZINC000096053783 185074480 /nfs/dbraw/zinc/07/44/80/185074480.db2.gz CVYSNAJBYFRQLK-HZPDHXFCSA-N 1 0 283.375 2.238 40 0 CEABRO Fc1cccnc1O[C@@H]1CC[C@H]2[C@H]1OCC[N@@H+]2CC1CC1 ZINC000096058069 185079445 /nfs/dbraw/zinc/07/94/45/185079445.db2.gz YZQZJPINPYHAPD-RRFJBIMHSA-N 1 0 292.354 2.241 40 0 CEABRO C[NH+](C)C[C@@H]1CCC[C@@H]2CN(c3cccnc3)C[C@@H]21 ZINC000096081872 185090701 /nfs/dbraw/zinc/09/07/01/185090701.db2.gz WGVVEKIMMXUGNT-SQWLQELKSA-N 1 0 259.397 2.496 40 0 CEABRO CCOC[C@]12COC[C@H]1C[N@H+](CCc1ccccc1)C2 ZINC000096108670 185099715 /nfs/dbraw/zinc/09/97/15/185099715.db2.gz GVAJTTGOWQBCEL-IAGOWNOFSA-N 1 0 275.392 2.214 40 0 CEABRO C[NH+]1CCC2(CC[C@H](C(=O)NCc3cccs3)O2)CC1 ZINC000096110002 185100142 /nfs/dbraw/zinc/10/01/42/185100142.db2.gz OVCNHFQFPGHDKH-CYBMUJFWSA-N 1 0 294.420 2.008 40 0 CEABRO COC[C@@]12CCO[C@@H]1CC[N@H+](Cc1ccccc1OC)C2 ZINC000096110332 185100590 /nfs/dbraw/zinc/10/05/90/185100590.db2.gz USBAKSFFVGPQAL-SJORKVTESA-N 1 0 291.391 2.323 40 0 CEABRO CC(C)[C@H]([NH3+])C(=O)N(C)Cc1ccccc1Br ZINC000037798055 361941114 /nfs/dbraw/zinc/94/11/14/361941114.db2.gz PVKZFJJPRUVCRY-LBPRGKRZSA-N 1 0 299.212 2.391 40 0 CEABRO O=C1CCC[C@@H]2[C@@H](CC[N@@H+]2Cc2ccnc3ccccc23)N1 ZINC000019713249 343374928 /nfs/dbraw/zinc/37/49/28/343374928.db2.gz JSSVZFJWZKRMAT-IAGOWNOFSA-N 1 0 295.386 2.478 40 0 CEABRO CSc1ncc(C[NH2+]CCc2nc3ccccc3[nH]2)cn1 ZINC000062718344 343672389 /nfs/dbraw/zinc/67/23/89/343672389.db2.gz TUCGNWLGKXADFR-UHFFFAOYSA-N 1 0 299.403 2.407 40 0 CEABRO O=C(N1C[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C1)C(F)(F)F ZINC000230825087 344573881 /nfs/dbraw/zinc/57/38/81/344573881.db2.gz GSFJOXSSOIZLBU-OLZOCXBDSA-N 1 0 298.308 2.282 40 0 CEABRO CCOC(=O)[C@H](N)[C@]1([NH+](C)C)C[C@@H]2CC[C@@]1(C)C2(C)C ZINC000216349726 344534813 /nfs/dbraw/zinc/53/48/13/344534813.db2.gz AGHKBSYGIOWTQD-GVAFMPQTSA-N 1 0 282.428 2.023 40 0 CEABRO CN(C(=O)c1c[nH]c2ccccc21)[C@@H]1CCC[NH2+]CC1 ZINC000231303588 344574434 /nfs/dbraw/zinc/57/44/34/344574434.db2.gz ROWGDCAPWRXMIC-GFCCVEGCSA-N 1 0 271.364 2.382 40 0 CEABRO Cc1ccccc1C[C@H]1CC[N@H+](Cc2cncnc2)C[C@@H]1O ZINC000585277025 345009711 /nfs/dbraw/zinc/00/97/11/345009711.db2.gz FIUCUMDNSFLUJB-MSOLQXFVSA-N 1 0 297.402 2.211 40 0 CEABRO COC(=O)c1cc2c(nc1-c1ccsc1)CC[NH2+]CC2 ZINC000306144756 201846038 /nfs/dbraw/zinc/84/60/38/201846038.db2.gz ZNSSOPQFIUUTGU-UHFFFAOYSA-N 1 0 288.372 2.285 40 0 CEABRO C[C@@H]1CN(C(=O)c2cccc(C(F)(F)F)c2)CC[NH2+]1 ZINC000067799470 362923958 /nfs/dbraw/zinc/92/39/58/362923958.db2.gz BNFBKOCMHJZJQA-SECBINFHSA-N 1 0 272.270 2.139 40 0 CEABRO O=C1NCCCC12CC[NH+](Cc1cncc(Cl)c1)CC2 ZINC000108527403 186221249 /nfs/dbraw/zinc/22/12/49/186221249.db2.gz SRDISPUNHCKBDY-UHFFFAOYSA-N 1 0 293.798 2.227 40 0 CEABRO CN(C)C(=O)[C@@H]1CCC[C@]12CC[N@H+](Cc1cccnc1)C2 ZINC000108535373 186222161 /nfs/dbraw/zinc/22/21/61/186222161.db2.gz NJSPWOZGJRDLMX-DOTOQJQBSA-N 1 0 287.407 2.162 40 0 CEABRO CCN(C(=O)OC(C)(C)C)[C@@H]1CCCC[C@H]1[NH2+]CCO ZINC000079408055 363595761 /nfs/dbraw/zinc/59/57/61/363595761.db2.gz ASXWETUXLKEGQI-CHWSQXEVSA-N 1 0 286.416 2.137 40 0 CEABRO CC(C)N(C[C@@H]1CCCCN1CC[NH3+])C(=O)OC(C)(C)C ZINC000079408540 363595263 /nfs/dbraw/zinc/59/52/63/363595263.db2.gz OULGSRVJRAWODE-AWEZNQCLSA-N 1 0 299.459 2.445 40 0 CEABRO CSc1ccc(CN(C(=O)C[NH3+])C(C)C)cc1 ZINC000079420516 363598811 /nfs/dbraw/zinc/59/88/11/363598811.db2.gz KUKAQRDMQLWIDW-UHFFFAOYSA-N 1 0 252.383 2.104 40 0 CEABRO CC[C@H](O)C[NH2+]Cc1ccnc2ccc(OC)cc12 ZINC000001640953 361213914 /nfs/dbraw/zinc/21/39/14/361213914.db2.gz VJKNDSDPZOBVFW-LBPRGKRZSA-N 1 0 260.337 2.104 40 0 CEABRO NC(=[NH2+])SCc1cc2c(cc1Br)OCO2 ZINC000001665520 361214930 /nfs/dbraw/zinc/21/49/30/361214930.db2.gz VDVQKFKNGDCFDQ-UHFFFAOYSA-N 1 0 289.154 2.304 40 0 CEABRO CC[NH+](CC)C[C@@H](O)CN1CCCc2ccccc21 ZINC000002042676 361226751 /nfs/dbraw/zinc/22/67/51/361226751.db2.gz ADXIHZMUXKFEIE-OAHLLOKOSA-N 1 0 262.397 2.142 40 0 CEABRO CCOC(=O)[C@](C)([NH3+])[C@H]1CCc2cc(OC)ccc2C1 ZINC000082048701 363750295 /nfs/dbraw/zinc/75/02/95/363750295.db2.gz RQIMIRAUSRNRCE-XJKSGUPXSA-N 1 0 277.364 2.081 40 0 CEABRO C[NH+](C)Cc1ccc(I)cc1 ZINC000016123593 361483162 /nfs/dbraw/zinc/48/31/62/361483162.db2.gz OFXGJTFUMSIQPF-UHFFFAOYSA-N 1 0 261.106 2.353 40 0 CEABRO C[NH2+]C1CCC2(CC1)CN(C(C)=O)Cc1ccccc1O2 ZINC000019019692 361519791 /nfs/dbraw/zinc/51/97/91/361519791.db2.gz GHRICTXDKCELGY-UHFFFAOYSA-N 1 0 288.391 2.328 40 0 CEABRO COc1cccc(C[N@@H+]2CC[C@H](c3nc(C)cc(=O)[nH]3)C2)c1 ZINC000019118475 361520050 /nfs/dbraw/zinc/52/00/50/361520050.db2.gz DJSJTSHPPORLPG-AWEZNQCLSA-N 1 0 299.374 2.076 40 0 CEABRO COc1ccc(C[N@@H+]2C[C@H]3CCc4nnc(C)n4[C@H]3C2)cc1 ZINC000019288361 361526483 /nfs/dbraw/zinc/52/64/83/361526483.db2.gz IDRWRHKHLSZTTM-ZBFHGGJFSA-N 1 0 298.390 2.214 40 0 CEABRO CC(C)c1nc(C[C@H]([NH3+])c2ccccc2)cc(=O)[nH]1 ZINC000019453540 361536021 /nfs/dbraw/zinc/53/60/21/361536021.db2.gz FMCRTQXUHRSZMX-ZDUSSCGKSA-N 1 0 257.337 2.136 40 0 CEABRO C[C@]12C[N@@H+](C3CCCC3)C[C@H]1NC(=O)c1ccccc1C2=O ZINC000019576449 361543114 /nfs/dbraw/zinc/54/31/14/361543114.db2.gz VLZGMMPXCNIEBT-QAPCUYQASA-N 1 0 298.386 2.246 40 0 CEABRO O=C1N(Cc2ccccc2Cl)CC[C@@]12CCC[NH2+]C2 ZINC000023509175 361600939 /nfs/dbraw/zinc/60/09/39/361600939.db2.gz HMUIMSMUQYRIHM-OAHLLOKOSA-N 1 0 278.783 2.442 40 0 CEABRO Cc1cccc(O[C@@H](C)C(=O)NCCC[NH+](C)C)c1C ZINC000020040366 361574127 /nfs/dbraw/zinc/57/41/27/361574127.db2.gz OPEANLHVPSGTPW-AWEZNQCLSA-N 1 0 278.396 2.139 40 0 CEABRO CCN(CC)CC[NH2+][C@@H](C)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000022931228 361590117 /nfs/dbraw/zinc/59/01/17/361590117.db2.gz CXSVMOSHBAQULZ-ZNMIVQPWSA-N 1 0 283.460 2.096 40 0 CEABRO COc1ccccc1-c1nnc([C@H]2CCC[NH2+]C2)o1 ZINC000032110955 361728093 /nfs/dbraw/zinc/72/80/93/361728093.db2.gz VURAKLCQHNRENE-JTQLQIEISA-N 1 0 259.309 2.212 40 0 CEABRO Fc1ccc(C[N@H+]2C[C@H]3CN(c4ncccn4)C[C@H]3C2)cc1 ZINC000096182365 364406222 /nfs/dbraw/zinc/40/62/22/364406222.db2.gz HKEADEHYYLWZHY-GASCZTMLSA-N 1 0 298.365 2.184 40 0 CEABRO c1ccc(N[C@@H]2C[N@H+](CC3CC3)C[C@@H]3CCCO[C@H]23)nc1 ZINC000096040698 364398274 /nfs/dbraw/zinc/39/82/74/364398274.db2.gz KDRYFBQYHYPINM-UXLLHSPISA-N 1 0 287.407 2.383 40 0 CEABRO NC(=O)N1CCC2(C1)CC[NH+](Cc1cccc(F)c1)CC2 ZINC000096157599 364403511 /nfs/dbraw/zinc/40/35/11/364403511.db2.gz HPRRYSLZLUYIES-UHFFFAOYSA-N 1 0 291.370 2.192 40 0 CEABRO C[N@@H+]1CCCC[C@@]12CCCN(C(=O)c1cccnc1)C2 ZINC000096217569 364413448 /nfs/dbraw/zinc/41/34/48/364413448.db2.gz NMTDSXGPBCBHBM-INIZCTEOSA-N 1 0 273.380 2.172 40 0 CEABRO COc1ccc2c(c1)C1(CCN(C)CC1)[N@@H+](C)CC2 ZINC000096242674 364416545 /nfs/dbraw/zinc/41/65/45/364416545.db2.gz QCWNJEMNPBGJHN-UHFFFAOYSA-N 1 0 260.381 2.104 40 0 CEABRO c1cncc(C[N@@H+]2CCc3ncnc(C4CC4)c3CC2)c1 ZINC000096255085 364418278 /nfs/dbraw/zinc/41/82/78/364418278.db2.gz XDACXFWHNNJQRU-UHFFFAOYSA-N 1 0 280.375 2.350 40 0 CEABRO [NH3+]C[C@H]1CC[C@H]([C@H](NC(=O)C2CC2)c2ccccn2)CC1 ZINC000100750260 364550780 /nfs/dbraw/zinc/55/07/80/364550780.db2.gz ABSWLIXOEIFQIP-ZENOOKHLSA-N 1 0 287.407 2.414 40 0 CEABRO [NH3+][C@H]1CC[C@H](NC(=O)c2ccc(Br)cc2)CC1 ZINC000100809920 364550835 /nfs/dbraw/zinc/55/08/35/364550835.db2.gz PQBUNYFJIWFHCW-TXEJJXNPSA-N 1 0 297.196 2.449 40 0 CEABRO C[C@H]1c2ncc(CCOCc3ccccn3)n2CC[N@H+]1C ZINC000585096840 367177134 /nfs/dbraw/zinc/17/71/34/367177134.db2.gz BMVWNXZPCWNUCP-ZDUSSCGKSA-N 1 0 286.379 2.044 40 0 CEABRO CCN(CC)Cc1nc(C2(O)CC[NH+](CC)CC2)cs1 ZINC000225462513 370296945 /nfs/dbraw/zinc/29/69/45/370296945.db2.gz ZDFZYWVECQPJNF-UHFFFAOYSA-N 1 0 297.468 2.288 40 0 biogenic,in-vitro CEABRO CC(C)[NH+]1CC2(C1)C[C@@H](Oc1cccnc1)CS2 ZINC000248179871 371168597 /nfs/dbraw/zinc/16/85/97/371168597.db2.gz XXWFKWBTPMUWEU-CYBMUJFWSA-N 1 0 264.394 2.429 40 0 CEABRO Cc1cccnc1C[N@H+]1CCC[C@@H]2[C@H]1CCCC(=O)N2C ZINC000257290691 371611326 /nfs/dbraw/zinc/61/13/26/371611326.db2.gz QDYMXLYHYZEWEQ-HZPDHXFCSA-N 1 0 287.407 2.365 40 0 CEABRO [NH3+][C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)OCc1ccccc1 ZINC000261300758 371636759 /nfs/dbraw/zinc/63/67/59/371636759.db2.gz GDXKRTUSJPSARB-BTTYYORXSA-N 1 0 260.337 2.277 40 0 CEABRO Cc1nn(C)cc1C[NH2+]Cc1cnn(C2CCCC2)c1 ZINC000256053745 190005035 /nfs/dbraw/zinc/00/50/35/190005035.db2.gz SQRSZYYXVNYTRX-UHFFFAOYSA-N 1 0 273.384 2.330 40 0 CEABRO Fc1ccc(O[C@H]2COC3(C2)CC[NH2+]CC3)cc1 ZINC000257197635 190009918 /nfs/dbraw/zinc/00/99/18/190009918.db2.gz FITYVVOVQWFILR-CYBMUJFWSA-N 1 0 251.301 2.116 40 0 CEABRO CCC[N@@H+]1CCC[C@H]1c1cccc(CNC(C)=O)n1 ZINC000257204150 190011612 /nfs/dbraw/zinc/01/16/12/190011612.db2.gz ATFQIWFUOJTHGA-HNNXBMFYSA-N 1 0 261.369 2.265 40 0 CEABRO CC(C)n1nccc1-c1cncc(C[C@H]2CCC[NH2+]C2)n1 ZINC000257210126 190012311 /nfs/dbraw/zinc/01/23/11/190012311.db2.gz BTGXOJUKICIZBF-CYBMUJFWSA-N 1 0 285.395 2.463 40 0 CEABRO CCCn1nccc1-c1cc(C[C@@H]2CCC[NH2+]C2)ncn1 ZINC000257215601 190013237 /nfs/dbraw/zinc/01/32/37/190013237.db2.gz CQVAHTUIBSHXPC-ZDUSSCGKSA-N 1 0 285.395 2.292 40 0 CEABRO CC(C)c1cc(C(=O)N2CC[C@@](O)(C[NH+](C)C)C2)cs1 ZINC000257225626 190015638 /nfs/dbraw/zinc/01/56/38/190015638.db2.gz FHAYLLOLWHQMMI-OAHLLOKOSA-N 1 0 296.436 2.010 40 0 CEABRO COc1ccccc1[C@H]1C[NH2+]CCN1Cc1ccccn1 ZINC000257228564 190015978 /nfs/dbraw/zinc/01/59/78/190015978.db2.gz FUHXCFVFRCLHTB-MRXNPFEDSA-N 1 0 283.375 2.237 40 0 CEABRO CCOc1ccc([C@H]2CCCN2C(=O)C[NH+](C)C)cc1 ZINC000257232622 190016787 /nfs/dbraw/zinc/01/67/87/190016787.db2.gz GLRGWBKNMDCOFA-OAHLLOKOSA-N 1 0 276.380 2.310 40 0 CEABRO Cc1cn(C)c([C@H]2CCC[N@@H+](C3CCN(C)CC3)C2)n1 ZINC000257232444 190017375 /nfs/dbraw/zinc/01/73/75/190017375.db2.gz GKWMCHURAVLAPX-AWEZNQCLSA-N 1 0 276.428 2.002 40 0 CEABRO O[C@H]1C[N@H+](Cc2ccc3ncccc3c2)CC[C@@]12CCCO2 ZINC000257236199 190017805 /nfs/dbraw/zinc/01/78/05/190017805.db2.gz HBECKHMQRWRIII-ROUUACIJSA-N 1 0 298.386 2.351 40 0 CEABRO Cc1cccnc1C(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)[N@@H+]2C ZINC000257242841 190018457 /nfs/dbraw/zinc/01/84/57/190018457.db2.gz IEKGSJPCNIQOOR-AFIMGQEJSA-N 1 0 299.418 2.477 40 0 CEABRO Cc1ccc(Nc2ncc(F)c(C[C@@H]3CC[NH2+]C3)n2)nc1 ZINC000257252667 190021221 /nfs/dbraw/zinc/02/12/21/190021221.db2.gz JVQJTBFKZPTBLO-NSHDSACASA-N 1 0 287.342 2.215 40 0 CEABRO Fc1ccnc(Nc2nccc(C3CC[NH2+]CC3)n2)c1 ZINC000257270433 190024340 /nfs/dbraw/zinc/02/43/40/190024340.db2.gz MUFDVPSLSBXFLZ-UHFFFAOYSA-N 1 0 273.315 2.221 40 0 CEABRO Cc1cccc(Nc2nccnc2[C@@H]2CCC[NH2+]C2)n1 ZINC000257277248 190025165 /nfs/dbraw/zinc/02/51/65/190025165.db2.gz NXBCHKHNGRMSCG-GFCCVEGCSA-N 1 0 269.352 2.391 40 0 CEABRO Cc1ncc(-c2cccc([C@H]3CCC[NH2+]C3)n2)n1C ZINC000257313167 190031830 /nfs/dbraw/zinc/03/18/30/190031830.db2.gz URGHJBGSAUPMJX-LBPRGKRZSA-N 1 0 256.353 2.258 40 0 CEABRO Cn1ccc2ccnc(C[C@@H]3COC4(C3)CC[NH2+]CC4)c21 ZINC000257295493 190028132 /nfs/dbraw/zinc/02/81/32/190028132.db2.gz QYNLMANWOIRPRQ-ZDUSSCGKSA-N 1 0 285.391 2.275 40 0 CEABRO Cc1nc(N)cc([C@@H]2CCC[N@@H+]2CCC(F)(F)F)n1 ZINC000257301131 190030733 /nfs/dbraw/zinc/03/07/33/190030733.db2.gz RXCQMJKKHUHWJN-JTQLQIEISA-N 1 0 274.290 2.457 40 0 CEABRO CCNC(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CCC[NH2+]1 ZINC000257328455 190034822 /nfs/dbraw/zinc/03/48/22/190034822.db2.gz XFROEHVLORTQNI-QGZVFWFLSA-N 1 0 299.374 2.142 40 0 CEABRO CCn1cc(-c2cnc([C@H]3CCC[N@H+](C)C3)cn2)cn1 ZINC000257331825 190035601 /nfs/dbraw/zinc/03/56/01/190035601.db2.gz XUKPQCADAVDZTB-LBPRGKRZSA-N 1 0 271.368 2.169 40 0 CEABRO O=C1c2ccccc2C(=O)N1[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000000049578 285021791 /nfs/dbraw/zinc/02/17/91/285021791.db2.gz KNEGFGGZBIDYHX-GJZGRUSLSA-N 1 0 284.359 2.300 40 0 CEABRO CNC(=O)C[C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000096242923 256830836 /nfs/dbraw/zinc/83/08/36/256830836.db2.gz WDRBUNRMQXHZCZ-CYBMUJFWSA-N 1 0 288.391 2.153 40 0 CEABRO c1ccc(CN2C[C@]3(CC[NH2+]C3)c3ncccc32)cc1 ZINC000306135459 285477861 /nfs/dbraw/zinc/47/78/61/285477861.db2.gz ORIZBTQLEPJKPO-QGZVFWFLSA-N 1 0 265.360 2.333 40 0 CEABRO CN(C)C(=O)C[C@@H](c1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000072208349 394592452 /nfs/dbraw/zinc/59/24/52/394592452.db2.gz RLXNSCWXNSUTFX-GJZGRUSLSA-N 1 0 260.381 2.248 40 0 CEABRO C[N@@H+]1CCCC[C@H]1c1cccnc1N1CCOCC1 ZINC000072216237 394593231 /nfs/dbraw/zinc/59/32/31/394593231.db2.gz SFHHAQJPVLWVON-AWEZNQCLSA-N 1 0 261.369 2.075 40 0 CEABRO CC[C@@H](O)c1ccc(N2CC[NH+](C(C)C)CC2)nc1C ZINC000072224753 394594554 /nfs/dbraw/zinc/59/45/54/394594554.db2.gz FDNAWFAXWDXDKY-OAHLLOKOSA-N 1 0 277.412 2.364 40 0 CEABRO CN(C)C(=O)C[C@@H](c1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000072208337 394592123 /nfs/dbraw/zinc/59/21/23/394592123.db2.gz NJNYDDLPSLBMGQ-LSDHHAIUSA-N 1 0 260.381 2.391 40 0 CEABRO CN(C)C(=O)c1sc2ncccc2c1[C@H]1CC[N@H+](C)C1 ZINC000072352550 394598500 /nfs/dbraw/zinc/59/85/00/394598500.db2.gz VVAKWBLADKTCFQ-JTQLQIEISA-N 1 0 289.404 2.417 40 0 CEABRO C[C@@H]([C@H]([NH3+])c1ccc(Cl)cc1Cl)S(C)(=O)=O ZINC000096524795 394696662 /nfs/dbraw/zinc/69/66/62/394696662.db2.gz CRSGAXNLFOHEJE-WKEGUHRASA-N 1 0 282.192 2.426 40 0 CEABRO COCCC[NH2+]C[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000089212810 292363275 /nfs/dbraw/zinc/36/32/75/292363275.db2.gz KFQMABWSILIQAR-CYBMUJFWSA-N 1 0 286.416 2.402 40 0 CEABRO [NH3+]CC1CCN(C(=O)OCC(Cl)(Cl)Cl)CC1 ZINC000002525545 169802413 /nfs/dbraw/zinc/80/24/13/169802413.db2.gz DBJJDXIDXIEGLK-UHFFFAOYSA-N 1 0 289.590 2.164 40 0 CEABRO Fc1ccc(OCC2C[NH2+]C2)c(Br)c1 ZINC000038580885 174148323 /nfs/dbraw/zinc/14/83/23/174148323.db2.gz JWCKRFRHHFCYJQ-UHFFFAOYSA-N 1 0 260.106 2.186 40 0 CEABRO CCN(CC)[C@@H](C[NH3+])c1cc(OC)ccc1OC ZINC000038827611 174156550 /nfs/dbraw/zinc/15/65/50/174156550.db2.gz XIUMYHQBPVYCLZ-ZDUSSCGKSA-N 1 0 252.358 2.045 40 0 CEABRO CCCC[C@@H]1CN(Cc2cccc(C(=O)OC)c2)CC[NH2+]1 ZINC000039952522 174177163 /nfs/dbraw/zinc/17/71/63/174177163.db2.gz VUHRSSAVRRUACW-MRXNPFEDSA-N 1 0 290.407 2.437 40 0 CEABRO Brc1cccc(NC[C@H]2CCC[NH2+]C2)n1 ZINC000040434973 174261164 /nfs/dbraw/zinc/26/11/64/174261164.db2.gz HMHUJQWVTMCYBM-VIFPVBQESA-N 1 0 270.174 2.256 40 0 CEABRO CC(C)[C@H]([NH3+])C(=O)N(Cc1ccsc1)C1CC1 ZINC000040492037 174292963 /nfs/dbraw/zinc/29/29/63/174292963.db2.gz FKGNHSRLHZCJRG-LBPRGKRZSA-N 1 0 252.383 2.222 40 0 CEABRO CC[C@H](Oc1cccc(C)c1C)C(=O)NCC[NH+](C)C ZINC000044850173 175265837 /nfs/dbraw/zinc/26/58/37/175265837.db2.gz AWKDQAWIGKGLHI-AWEZNQCLSA-N 1 0 278.396 2.139 40 0 CEABRO C[N@@H+]1CCC[C@H]1c1ccnc(Nc2cnccn2)c1 ZINC000072386720 176392183 /nfs/dbraw/zinc/39/21/83/176392183.db2.gz HHOHHEHXGTZZMR-LBPRGKRZSA-N 1 0 255.325 2.382 40 0 CEABRO COc1ccc(-c2ccc([C@H]3C[NH2+]CCO3)nc2)cc1 ZINC000072386813 176392262 /nfs/dbraw/zinc/39/22/62/176392262.db2.gz LURVAEKIPDPQMA-MRXNPFEDSA-N 1 0 270.332 2.418 40 0 CEABRO C[N@@H+]1CCC[C@@H]1c1ccnc(Nc2cnccn2)c1 ZINC000072386719 176392298 /nfs/dbraw/zinc/39/22/98/176392298.db2.gz HHOHHEHXGTZZMR-GFCCVEGCSA-N 1 0 255.325 2.382 40 0 CEABRO COc1ccc2c(C[N@@H+]3CCC[C@H](O)C3)cn(C)c2c1 ZINC000072397836 176395492 /nfs/dbraw/zinc/39/54/92/176395492.db2.gz GNRTYECGJXQSPO-ZDUSSCGKSA-N 1 0 274.364 2.144 40 0 CEABRO COCCn1cc(C[N@@H+]2CCC[C@@H](O)C2)c2ccccc21 ZINC000072397851 176395737 /nfs/dbraw/zinc/39/57/37/176395737.db2.gz YMCMEQQBWNRWFF-OAHLLOKOSA-N 1 0 288.391 2.244 40 0 CEABRO Clc1ccccc1Cc1nsc(N2CC[NH2+]CC2)n1 ZINC000216641843 419462317 /nfs/dbraw/zinc/46/23/17/419462317.db2.gz BSHCIWIYKTVANB-UHFFFAOYSA-N 1 0 294.811 2.192 40 0 CEABRO CCN1C(=O)C[C@@H](c2ccccc2)C12CC[NH2+]CC2 ZINC000096261202 265348916 /nfs/dbraw/zinc/34/89/16/265348916.db2.gz XUBXPVJTTXFASQ-AWEZNQCLSA-N 1 0 258.365 2.145 40 0 CEABRO COC(=O)[C@@H]1C[C@@H]2c3[nH]c4ccccc4c3CC[N@H+]2C1 ZINC000031719761 277369077 /nfs/dbraw/zinc/36/90/77/277369077.db2.gz XKJYWJCEEMLZSB-QMTHXVAHSA-N 1 0 270.332 2.260 40 0 CEABRO CCCNc1ncc(C[NH2+]C[C@H](O)c2ccccc2)cn1 ZINC000062717699 333176078 /nfs/dbraw/zinc/17/60/78/333176078.db2.gz NSKWXQRUHWQGNI-HNNXBMFYSA-N 1 0 286.379 2.122 40 0 CEABRO COc1ccc(C[N@@H+]2CCC[C@]3(CCC(=O)N3)CC2)cc1 ZINC000096047455 185072679 /nfs/dbraw/zinc/07/26/79/185072679.db2.gz FOPGNETWZQZDLY-KRWDZBQOSA-N 1 0 288.391 2.330 40 0 CEABRO CC(C)[C@H]1COC2(C1)CC[NH+](Cc1cnn(C)c1)CC2 ZINC000096047900 185073152 /nfs/dbraw/zinc/07/31/52/185073152.db2.gz ZVIYXQBTQKUVQJ-OAHLLOKOSA-N 1 0 277.412 2.447 40 0 CEABRO C[NH+](C)[C@@H]1COC2(C1)CCN(C(=O)c1cccs1)CC2 ZINC000096047933 185073154 /nfs/dbraw/zinc/07/31/54/185073154.db2.gz XYEPWIGOPNCTIG-LBPRGKRZSA-N 1 0 294.420 2.073 40 0 CEABRO O=C1[C@H]2C[N@H+](Cc3ccoc3)C[C@@H]2CN1c1ccccc1 ZINC000096053575 185074626 /nfs/dbraw/zinc/07/46/26/185074626.db2.gz UYUUZRNEUPLYLI-ZBFHGGJFSA-N 1 0 282.343 2.374 40 0 CEABRO c1cncc(CN2C[C@H]3C[NH+](Cc4ccncc4)C[C@@H]3C2)c1 ZINC000096053744 185075035 /nfs/dbraw/zinc/07/50/35/185075035.db2.gz GEEIIYLNXYZEPQ-QZTJIDSGSA-N 1 0 294.402 2.040 40 0 CEABRO CO[C@H]1C[N@H+](Cc2ccc(C)s2)[C@@H]2CCCO[C@@H]21 ZINC000096057408 185078003 /nfs/dbraw/zinc/07/80/03/185078003.db2.gz NVVTZBKJBZEOGG-RDBSUJKOSA-N 1 0 267.394 2.435 40 0 CEABRO Cc1nnc([C@@H]2C[C@H]3OCC[C@H]3[N@H+](Cc3ccco3)C2)o1 ZINC000096064957 185084220 /nfs/dbraw/zinc/08/42/20/185084220.db2.gz JIVPBINSBKFBEV-MRVWCRGKSA-N 1 0 289.335 2.118 40 0 CEABRO Cc1ccc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2ccccn2)nn1 ZINC000096064061 185084772 /nfs/dbraw/zinc/08/47/72/185084772.db2.gz GCYODMMXAMATDJ-CVEARBPZSA-N 1 0 295.390 2.033 40 0 CEABRO c1ccc(C[NH+]2CCC3(CCN3c3ncccn3)CC2)nc1 ZINC000096077997 185089662 /nfs/dbraw/zinc/08/96/62/185089662.db2.gz ICYHIMPOKLMOHH-UHFFFAOYSA-N 1 0 295.390 2.117 40 0 CEABRO C[C@H]1CN([C@@H](C[NH3+])c2ccc(F)cc2F)C[C@H](C)O1 ZINC000036879568 361866716 /nfs/dbraw/zinc/86/67/16/361866716.db2.gz FRPCNYBXDUFELS-BHDSKKPTSA-N 1 0 270.323 2.074 40 0 CEABRO [NH3+]Cc1cc(-c2ccccc2Br)ncn1 ZINC000096948649 185137574 /nfs/dbraw/zinc/13/75/74/185137574.db2.gz CYVMEAOIYGCDQW-UHFFFAOYSA-N 1 0 264.126 2.365 40 0 CEABRO CCCC[C@@H]1CN(c2ccc(C(=O)OC)cc2)CC[NH2+]1 ZINC000039952514 361990093 /nfs/dbraw/zinc/99/00/93/361990093.db2.gz HWVNOINYQFZFED-CQSZACIVSA-N 1 0 276.380 2.442 40 0 CEABRO Clc1nc2ccccc2nc1N[C@@H]1CCC[NH2+]C1 ZINC000040434723 361992844 /nfs/dbraw/zinc/99/28/44/361992844.db2.gz OSMHUPUKLRUFCK-SECBINFHSA-N 1 0 262.744 2.447 40 0 CEABRO CCn1c2ccccc2nc1OC[C@@H]1CCC[NH2+]C1 ZINC000043220242 362140026 /nfs/dbraw/zinc/14/00/26/362140026.db2.gz CVDKCNFMARRYMU-GFCCVEGCSA-N 1 0 259.353 2.435 40 0 CEABRO C[C@H](C[NH2+]Cc1ccncc1)C(=O)OC(C)(C)C ZINC000047219067 362201764 /nfs/dbraw/zinc/20/17/64/362201764.db2.gz ZONNEQCMMBVWDY-LLVKDONJSA-N 1 0 250.342 2.149 40 0 CEABRO CCc1cc(N2Cc3ccccc3C[C@H]2C)nc(NC)[nH+]1 ZINC000329003859 136377077 /nfs/dbraw/zinc/37/70/77/136377077.db2.gz KOPHRTDSOQWIQD-GFCCVEGCSA-N 1 0 282.391 2.454 40 0 CEABRO O=C(NC[C@H]1C[NH2+]CCC1(F)F)OCc1ccccc1 ZINC000221089829 344539018 /nfs/dbraw/zinc/53/90/18/344539018.db2.gz SCUHCCDILGOUOM-GFCCVEGCSA-N 1 0 284.306 2.158 40 0 CEABRO c1cc2n(n1)[C@H](CC[NH+]1CCCC1)CN(C1CCC1)C2 ZINC000585113010 345005771 /nfs/dbraw/zinc/00/57/71/345005771.db2.gz ZWMVIUSJMVLIEV-MRXNPFEDSA-N 1 0 274.412 2.278 40 0 CEABRO C[C@H]1C[NH2+]CCN1Cc1ccc(OC(F)(F)F)cc1 ZINC000054374300 362533461 /nfs/dbraw/zinc/53/34/61/362533461.db2.gz WSXVCISHSZPFRD-JTQLQIEISA-N 1 0 274.286 2.379 40 0 CEABRO Clc1nccc(N2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000038579630 136581660 /nfs/dbraw/zinc/58/16/60/136581660.db2.gz IJVADTGHTGZGSE-UHFFFAOYSA-N 1 0 288.782 2.452 40 0 CEABRO CNC(=O)[C@H]1CCC[C@]12CC[N@H+](Cc1ccsc1)C2 ZINC000108531899 186221759 /nfs/dbraw/zinc/22/17/59/186221759.db2.gz PCOOAHQOSIDBAW-UKRRQHHQSA-N 1 0 278.421 2.486 40 0 CEABRO COc1cccc([C@@H](CO)[NH+]2CCCCC2)c1OC ZINC000070453275 363084486 /nfs/dbraw/zinc/08/44/86/363084486.db2.gz RCPQXRLOFBANGQ-CYBMUJFWSA-N 1 0 265.353 2.223 40 0 CEABRO CC1CCN(c2cc(CC[C@@H]3CCC[NH2+]3)ncn2)CC1 ZINC000072386520 363132678 /nfs/dbraw/zinc/13/26/78/363132678.db2.gz OEGOKNTWEZHDRI-AWEZNQCLSA-N 1 0 274.412 2.398 40 0 CEABRO CN(C)c1nc2ccccc2cc1C[N@@H+]1CCC[C@H](O)C1 ZINC000072397804 363133024 /nfs/dbraw/zinc/13/30/24/363133024.db2.gz ONMVZLKPZWGFPT-HNNXBMFYSA-N 1 0 285.391 2.258 40 0 CEABRO COc1cccc(CCCNC(=O)[C@H]2CCC[N@H+](C)C2)c1 ZINC000073306977 363210091 /nfs/dbraw/zinc/21/00/91/363210091.db2.gz CDYHDGZVDLWOIG-HNNXBMFYSA-N 1 0 290.407 2.086 40 0 CEABRO CC(=O)Nc1ccc(NC(=O)CC2CC[NH+](C)CC2)cc1 ZINC000074921033 363418900 /nfs/dbraw/zinc/41/89/00/363418900.db2.gz KTCQCTCRTQJHCL-UHFFFAOYSA-N 1 0 289.379 2.315 40 0 CEABRO C[NH+]1CCC(CCNC(=O)c2ccc(F)cc2)CC1 ZINC000134043924 366279885 /nfs/dbraw/zinc/27/98/85/366279885.db2.gz GRNXNMPYEYUDIH-UHFFFAOYSA-N 1 0 264.344 2.287 40 0 CEABRO C[NH+]1CCC(CCNC(=O)c2ccccc2F)CC1 ZINC000134048000 366280605 /nfs/dbraw/zinc/28/06/05/366280605.db2.gz NUEJGKYIKRAAMF-UHFFFAOYSA-N 1 0 264.344 2.287 40 0 CEABRO [NH3+]CCSC[C@@H]1CCCN1C(=O)OCc1ccccc1 ZINC000079392258 363593670 /nfs/dbraw/zinc/59/36/70/363593670.db2.gz KNEDOIBZVYEGLD-AWEZNQCLSA-N 1 0 294.420 2.480 40 0 CEABRO CC[N@@H+](Cc1ccccc1)C[C@H]1CCC[NH+](CC(=O)[O-])C1 ZINC000079416106 363598469 /nfs/dbraw/zinc/59/84/69/363598469.db2.gz WOFLSSMFJFPPCE-MRXNPFEDSA-N 1 0 290.407 2.305 40 0 CEABRO CC(C)(C)OC(=O)N(CC1CC[NH2+]CC1)C1CC1 ZINC000079437710 363600654 /nfs/dbraw/zinc/60/06/54/363600654.db2.gz KJZLTZLIYDMLBF-UHFFFAOYSA-N 1 0 254.374 2.386 40 0 CEABRO Cn1c(N)[nH+]cc1-c1cccc(Br)c1 ZINC000000873782 361194064 /nfs/dbraw/zinc/19/40/64/361194064.db2.gz UTOZQKIXUBJDOQ-UHFFFAOYSA-N 1 0 252.115 2.432 40 0 CEABRO OCC[NH2+]C(Cc1ccccc1)Cc1ccccc1 ZINC000001666285 361215201 /nfs/dbraw/zinc/21/52/01/361215201.db2.gz WFTWSERUTPFHHY-UHFFFAOYSA-N 1 0 255.361 2.422 40 0 CEABRO COc1cc(C[NH2+]CCc2ccc(O)cc2)ccc1O ZINC000001713518 361218480 /nfs/dbraw/zinc/21/84/80/361218480.db2.gz FBXZAFFVCDEUGU-UHFFFAOYSA-N 1 0 273.332 2.439 40 0 CEABRO CC[NH+](CC)CCCNCc1ccc2c(c1)OCO2 ZINC000003848584 361291503 /nfs/dbraw/zinc/29/15/03/361291503.db2.gz YUSWNDGLHGZYBI-UHFFFAOYSA-N 1 0 264.369 2.237 40 0 CEABRO COc1ccc([C@@H]([NH3+])CNC(=O)OC(C)(C)C)cc1 ZINC000012357103 361378793 /nfs/dbraw/zinc/37/87/93/361378793.db2.gz KDPRBIGJWBCZKK-LBPRGKRZSA-N 1 0 266.341 2.220 40 0 CEABRO CCCn1cc2c(n1)nc(N1CC[NH2+]CC1)cc2C(F)F ZINC000012398904 361382332 /nfs/dbraw/zinc/38/23/32/361382332.db2.gz IYIYAFWCXZWBCF-UHFFFAOYSA-N 1 0 295.337 2.189 40 0 CEABRO O=C([C@@H]1CCC[NH2+]1)N1CC=C(c2ccc(F)cc2)CC1 ZINC000013568991 361433113 /nfs/dbraw/zinc/43/31/13/361433113.db2.gz FBYDADGCBWQPNO-HNNXBMFYSA-N 1 0 274.339 2.193 40 0 CEABRO S=C(Nc1ccccc1)N1CCCN2CCC[NH+]=C21 ZINC000016489824 361489412 /nfs/dbraw/zinc/48/94/12/361489412.db2.gz CGXJNODDWHUWBJ-UHFFFAOYSA-N 1 0 274.393 2.151 40 0 CEABRO Cc1n(C)c(Br)c([C@@H](O)c2ccccc2)[n+]1C ZINC000017022422 361502834 /nfs/dbraw/zinc/50/28/34/361502834.db2.gz XUSHRWJXQRAPFP-LBPRGKRZSA-N 1 0 296.188 2.002 40 0 CEABRO O=C(NC1CC[NH2+]CC1)c1cccc(C(F)(F)F)c1 ZINC000019274755 361525197 /nfs/dbraw/zinc/52/51/97/361525197.db2.gz WMIUKSLHCXZHTI-UHFFFAOYSA-N 1 0 272.270 2.187 40 0 CEABRO c1cncc(C[N@@H+]2CCC[C@H](c3[nH]nc4nccnc43)C2)c1 ZINC000019339045 361527657 /nfs/dbraw/zinc/52/76/57/361527657.db2.gz JHSJWLYRGHNTAQ-ZDUSSCGKSA-N 1 0 294.362 2.128 40 0 CEABRO COc1ccc(CN2C[C@H]3CCC[N@@H+]3C[C@H]2C)c(OC)c1 ZINC000019575122 361543924 /nfs/dbraw/zinc/54/39/24/361543924.db2.gz FADZAKJCSKJSIQ-UKRRQHHQSA-N 1 0 290.407 2.372 40 0 CEABRO COc1ccccc1[C@@H]([NH3+])CNC(=O)OC(C)(C)C ZINC000019796144 361554740 /nfs/dbraw/zinc/55/47/40/361554740.db2.gz WFJDFZYEBDJNDS-NSHDSACASA-N 1 0 266.341 2.220 40 0 CEABRO C[C@@H](CC[NH2+][C@@H]1CCc2ccccc2C1)[S@](C)=O ZINC000090515753 364060216 /nfs/dbraw/zinc/06/02/16/364060216.db2.gz MQLKZGCOEYPJGT-WBHUJUFNSA-N 1 0 265.422 2.291 40 0 CEABRO CO[C@@H]1CC[N@H+](Cc2cnn(C)c2)[C@H]1Cc1ccccc1 ZINC000096200053 364408700 /nfs/dbraw/zinc/40/87/00/364408700.db2.gz NCUFDGSMLJRIFD-DLBZAZTESA-N 1 0 285.391 2.252 40 0 CEABRO Cc1cc(C)cc(C[NH+]2CCC3(CCNC3=O)CC2)c1 ZINC000096157706 364402779 /nfs/dbraw/zinc/40/27/79/364402779.db2.gz YMAJYTPOOJDEIN-UHFFFAOYSA-N 1 0 272.392 2.406 40 0 CEABRO CCO[C@H]1COC2(C1)CC[NH+](Cc1ccccn1)CC2 ZINC000096158731 364403572 /nfs/dbraw/zinc/40/35/72/364403572.db2.gz XAJTUADEZBHDJL-OAHLLOKOSA-N 1 0 276.380 2.242 40 0 CEABRO C[N@@H+]1CC[C@@]2(C1)CCC[C@@H](CNC(=O)c1ccccc1)O2 ZINC000096207694 364410144 /nfs/dbraw/zinc/41/01/44/364410144.db2.gz DNJQBMXPRMQFSS-DOTOQJQBSA-N 1 0 288.391 2.060 40 0 CEABRO Cc1ncnc2c1CC[N@H+](Cc1cccs1)CC2 ZINC000096254944 364419148 /nfs/dbraw/zinc/41/91/48/364419148.db2.gz XFMXEHOLUAITPR-UHFFFAOYSA-N 1 0 259.378 2.447 40 0 CEABRO Cn1cc(-c2cccc(Br)c2)[nH+]c1N ZINC000199560182 370149245 /nfs/dbraw/zinc/14/92/45/370149245.db2.gz UZIJTMWAZKCRDM-UHFFFAOYSA-N 1 0 252.115 2.432 40 0 CEABRO [NH3+][C@@H]1[C@@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218560277 370211323 /nfs/dbraw/zinc/21/13/23/370211323.db2.gz HLGWVPWZGOSSBP-KFWWJZLASA-N 1 0 291.347 2.093 40 0 CEABRO O=C(NC1CC1)[C@@H](c1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000217527259 370197175 /nfs/dbraw/zinc/19/71/75/370197175.db2.gz QKOSJXSMZBTSRE-CABCVRRESA-N 1 0 258.365 2.191 40 0 CEABRO Fc1ccc(-c2ccc3nnc([C@H]4CCC[NH2+]C4)n3n2)cc1 ZINC000217561019 370198825 /nfs/dbraw/zinc/19/88/25/370198825.db2.gz JUHGKZLJFXGHEO-LBPRGKRZSA-N 1 0 297.337 2.397 40 0 CEABRO CN1c2cccnc2C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000225495639 370299675 /nfs/dbraw/zinc/29/96/75/370299675.db2.gz AOYPNWIFLQUSQY-INIZCTEOSA-N 1 0 297.402 2.285 40 0 biogenic,in-vitro CEABRO CC(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1c1ccccc1 ZINC000257273855 371611477 /nfs/dbraw/zinc/61/14/77/371611477.db2.gz NINARTLNWNNPGU-QGZVFWFLSA-N 1 0 288.391 2.071 40 0 CEABRO Cc1cccc(N2CCC[C@H]([N@@H+](C)Cc3cncn3C)C2)n1 ZINC000257343697 371612417 /nfs/dbraw/zinc/61/24/17/371612417.db2.gz ZUAZKXLTVKVMJG-HNNXBMFYSA-N 1 0 299.422 2.224 40 0 CEABRO CCn1nc(N)cc1C[NH+](CC(C)C)CC(C)C ZINC000408716179 375516683 /nfs/dbraw/zinc/51/66/83/375516683.db2.gz JPXNIPFVCFEBQC-UHFFFAOYSA-N 1 0 252.406 2.430 40 0 CEABRO CC[C@H](C)n1nccc1C[NH2+]Cc1cn(C)nc1C ZINC000256052978 190004273 /nfs/dbraw/zinc/00/42/73/190004273.db2.gz PMQJGFHEXXUFLE-NSHDSACASA-N 1 0 261.373 2.186 40 0 CEABRO CC(C)Cn1cc(C[NH2+]CCCOC(C)C)cn1 ZINC000256052149 190004498 /nfs/dbraw/zinc/00/44/98/190004498.db2.gz MBRFKZPLZBECSJ-UHFFFAOYSA-N 1 0 253.390 2.444 40 0 CEABRO Cc1noc(C)c1-c1cc([C@H]2CCC[NH2+]2)nc(C)n1 ZINC000257211822 190011945 /nfs/dbraw/zinc/01/19/45/190011945.db2.gz CAOIEZDQHCLJRV-LLVKDONJSA-N 1 0 258.325 2.481 40 0 CEABRO COc1ccccc1[C@@H]1C[NH2+]CCN1Cc1cscn1 ZINC000257226988 190015518 /nfs/dbraw/zinc/01/55/18/190015518.db2.gz FNCZINOHHLBTEF-AWEZNQCLSA-N 1 0 289.404 2.298 40 0 CEABRO CN(C)Cc1cncc([C@@H]2CCC[N@@H+]2CC2CC2)n1 ZINC000257262424 190021991 /nfs/dbraw/zinc/02/19/91/190021991.db2.gz LLIRCDJYKSUIDU-HNNXBMFYSA-N 1 0 260.385 2.085 40 0 CEABRO Cc1ccnc([C@@H]2CC[N@H+](CC3CCOCC3)C2)n1 ZINC000257276560 190025227 /nfs/dbraw/zinc/02/52/27/190025227.db2.gz NUHCJVSQMLFSIO-CQSZACIVSA-N 1 0 261.369 2.001 40 0 CEABRO CC(C)[NH+]1CCC(c2cncc(-c3ccnn3C)n2)CC1 ZINC000257276986 190025312 /nfs/dbraw/zinc/02/53/12/190025312.db2.gz NVZRGDVVYVWDPI-UHFFFAOYSA-N 1 0 285.395 2.465 40 0 CEABRO Cc1noc(C)c1-c1cc(CC2CC[NH2+]CC2)ncn1 ZINC000257282769 190026229 /nfs/dbraw/zinc/02/62/29/190026229.db2.gz OVFITKWIZCRFJT-UHFFFAOYSA-N 1 0 272.352 2.291 40 0 CEABRO CC(=O)NCc1cc([C@@H]2CCC[N@H+]2C(C)C)ccn1 ZINC000257284343 190026435 /nfs/dbraw/zinc/02/64/35/190026435.db2.gz PCHGPFRHCHSVDU-HNNXBMFYSA-N 1 0 261.369 2.263 40 0 CEABRO Cc1nccc(CN2CC[N@@H+](C)[C@@H](c3ccccc3)C2)n1 ZINC000257284916 190027010 /nfs/dbraw/zinc/02/70/10/190027010.db2.gz PEVKAHAWXKZGSN-QGZVFWFLSA-N 1 0 282.391 2.274 40 0 CEABRO Cc1nc(N)cc([C@H]2CCC[N@@H+]2CCC(F)(F)F)n1 ZINC000257301132 190030323 /nfs/dbraw/zinc/03/03/23/190030323.db2.gz RXCQMJKKHUHWJN-SNVBAGLBSA-N 1 0 274.290 2.457 40 0 CEABRO CNc1cc(C)[nH+]c([C@H]2CCN(Cc3ccn(C)n3)C2)c1 ZINC000257333509 190035868 /nfs/dbraw/zinc/03/58/68/190035868.db2.gz YBVXOPFHYGEFQW-ZDUSSCGKSA-N 1 0 285.395 2.155 40 0 CEABRO C[C@@H]1CCN(C(=O)OCc2ccccc2)C[C@H]1C[NH3+] ZINC000261508582 190039983 /nfs/dbraw/zinc/03/99/83/190039983.db2.gz UUJPGFKKQIJHNO-TZMCWYRMSA-N 1 0 262.353 2.240 40 0 CEABRO C[N@H+]1Cc2cccn2[C@H](COCc2ccncc2)C1 ZINC000306131538 376540201 /nfs/dbraw/zinc/54/02/01/376540201.db2.gz KICUCZIDYQLQGS-HNNXBMFYSA-N 1 0 257.337 2.086 40 0 CEABRO CC(=O)c1cc2cccc(OC[C@H](O)C[NH2+]C(C)C)c2o1 ZINC000000000063 169502579 /nfs/dbraw/zinc/50/25/79/169502579.db2.gz ZPQPDBIHYCBNIG-CYBMUJFWSA-N 1 0 291.347 2.373 40 0 world CEABRO Cc1c(C[NH3+])cnc2cc(OCc3ccccc3)nn21 ZINC000225725769 256700191 /nfs/dbraw/zinc/70/01/91/256700191.db2.gz VVOGKIBNBGWIHS-UHFFFAOYSA-N 1 0 268.320 2.075 40 0 CEABRO [NH3+]CC1([C@H](O)c2ccc(Br)cc2)CC1 ZINC000096527057 256730100 /nfs/dbraw/zinc/73/01/00/256730100.db2.gz NIQNWFZVNJOCLN-SNVBAGLBSA-N 1 0 256.143 2.221 40 0 CEABRO O=c1ccc2c(n1CC1CC1)CC[C@@H]([NH2+]Cc1ccoc1)C2 ZINC000096189728 256817680 /nfs/dbraw/zinc/81/76/80/256817680.db2.gz FBDLZETXLQLGTF-MRXNPFEDSA-N 1 0 298.386 2.498 40 0 CEABRO [NH3+][C@@H]1[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218560131 130769650 /nfs/dbraw/zinc/76/96/50/130769650.db2.gz HLGWVPWZGOSSBP-ZNMIVQPWSA-N 1 0 291.347 2.093 40 0 CEABRO CCN(CC)c1nc(SC)nc(N2CCCC2)c1C=O ZINC000217691044 394455427 /nfs/dbraw/zinc/45/54/27/394455427.db2.gz QTGKTGAXTGUCFA-UHFFFAOYSA-N 1 0 294.424 2.457 40 0 CEABRO COc1ccc(CC[NH2+][C@H]2CCCC[C@@H]2[NH3+])cc1OC ZINC000218854343 394457608 /nfs/dbraw/zinc/45/76/08/394457608.db2.gz VYLYNSDJXFXCBX-KBPBESRZSA-N 1 0 278.396 2.106 40 0 CEABRO Cc1nc(N2CCOCC2)ccc1[C@H]1CCCC[NH2+]1 ZINC000072219638 394594679 /nfs/dbraw/zinc/59/46/79/394594679.db2.gz NMVMSUJTLMLREK-CQSZACIVSA-N 1 0 261.369 2.041 40 0 CEABRO Cc1c[nH]c([C@@H]2CCN(C(=O)Cc3ccc(F)cc3)C2)n1 ZINC000257322326 394595555 /nfs/dbraw/zinc/59/55/55/394595555.db2.gz WFMXHMBIUPOYCV-CYBMUJFWSA-N 1 0 287.338 2.416 40 0 CEABRO COc1ccc([C@H]2C[C@@H](C)[N@@H+]([C@@H]3CCOC3=O)C2)cc1 ZINC000076393307 394617421 /nfs/dbraw/zinc/61/74/21/394617421.db2.gz MMFOAHXNTPHLHP-OSAQELSMSA-N 1 0 275.348 2.189 40 0 CEABRO CCO[C@@H]1CC[N@H+](C[C@H]2CCOC2)[C@@H]1Cc1cccnc1 ZINC000096069932 394675581 /nfs/dbraw/zinc/67/55/81/394675581.db2.gz BUVGIZXXMFFHGR-BRWVUGGUSA-N 1 0 290.407 2.140 40 0 CEABRO CC(C)[C@H]([NH3+])c1cc(=O)n2nc(-c3ccccn3)cc2[nH]1 ZINC000100230973 394703646 /nfs/dbraw/zinc/70/36/46/394703646.db2.gz DYWLPXATZSNQED-HNNXBMFYSA-N 1 0 283.335 2.153 40 0 CEABRO CC[NH+](CC)CCOC(=O)c1ccc(OC)cc1 ZINC000002038683 169770714 /nfs/dbraw/zinc/77/07/14/169770714.db2.gz VGAMYYRDFQHTBS-UHFFFAOYSA-N 1 0 251.326 2.194 40 0 CEABRO CC(C)N(C(=O)C[NH2+]Cc1cccs1)C(C)C ZINC000004969186 170047016 /nfs/dbraw/zinc/04/70/16/170047016.db2.gz CCFDIJCTEVLUIR-UHFFFAOYSA-N 1 0 254.399 2.483 40 0 CEABRO C[NH+](C)CCC(=O)c1ccc2c(c1)OCCCCO2 ZINC000005677743 170127811 /nfs/dbraw/zinc/12/78/11/170127811.db2.gz BGZZODUZSHMIFC-UHFFFAOYSA-N 1 0 263.337 2.372 40 0 CEABRO COCC[NH2+]Cc1ccc(-c2ccc(C(=O)OC)cc2)o1 ZINC000007539287 170290090 /nfs/dbraw/zinc/29/00/90/170290090.db2.gz LRSMWKGTSWHKMD-UHFFFAOYSA-N 1 0 289.331 2.469 40 0 CEABRO O=C(C[NH2+]Cc1cccs1)Nc1ccc2c(c1)OCO2 ZINC000035311460 172122257 /nfs/dbraw/zinc/12/22/57/172122257.db2.gz WOOXQDFDKFKMOG-UHFFFAOYSA-N 1 0 290.344 2.205 40 0 CEABRO COCCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000038833024 174157284 /nfs/dbraw/zinc/15/72/84/174157284.db2.gz NQTXEIMQRBVCKY-MRXNPFEDSA-N 1 0 290.407 2.051 40 0 CEABRO Cc1cccc([C@H]2C[C@@H](O)[C@@H](O)[C@@H]2[NH2+]CC2CCCC2)c1 ZINC000072321690 176368661 /nfs/dbraw/zinc/36/86/61/176368661.db2.gz ZTFVVFFRWKVQLI-BRSBDYLESA-N 1 0 289.419 2.353 40 0 biogenic,in-vitro CEABRO O[C@@H]1C[C@H](C2CCCCC2)[C@@H]([NH2+]Cc2ccccc2)[C@@H]1O ZINC000072321633 176368972 /nfs/dbraw/zinc/36/89/72/176368972.db2.gz SMFVVONIUYQRTI-BRSBDYLESA-N 1 0 289.419 2.467 40 0 biogenic,in-vitro CEABRO O=C(Nc1nccs1)c1cccc([C@H]2CCC[NH2+]C2)n1 ZINC000072348384 176373066 /nfs/dbraw/zinc/37/30/66/176373066.db2.gz BXRJJJDDRAFRQZ-JTQLQIEISA-N 1 0 288.376 2.257 40 0 CEABRO CNc1cccc([C@@H]2CCC[N@H+](Cc3cnn(C)c3)C2)n1 ZINC000072364260 176378751 /nfs/dbraw/zinc/37/87/51/176378751.db2.gz QIYLVHNOCCOPRD-CQSZACIVSA-N 1 0 285.395 2.236 40 0 CEABRO NC(=O)c1ccccc1Oc1cc(C2CC[NH2+]CC2)ccn1 ZINC000072364674 176379668 /nfs/dbraw/zinc/37/96/68/176379668.db2.gz SGGHKOUZFVGXFX-UHFFFAOYSA-N 1 0 297.358 2.440 40 0 CEABRO O=C(Nc1ccccc1F)c1cncc([C@@H]2CCC[NH2+]2)n1 ZINC000072365601 176380799 /nfs/dbraw/zinc/38/07/99/176380799.db2.gz OHZKACDZILTWJT-LBPRGKRZSA-N 1 0 286.310 2.293 40 0 CEABRO O=C(CCc1cccc([C@@H]2CCC[NH2+]C2)n1)NC1CCC1 ZINC000072366489 176382025 /nfs/dbraw/zinc/38/20/25/176382025.db2.gz LNIYPVJIJSOJQK-CYBMUJFWSA-N 1 0 287.407 2.150 40 0 CEABRO CNc1ncccc1C[N@@H+]1CCC[C@H](c2cnccn2)C1 ZINC000072386204 176391633 /nfs/dbraw/zinc/39/16/33/176391633.db2.gz XLBFYMMUMRQEEQ-ZDUSSCGKSA-N 1 0 283.379 2.293 40 0 CEABRO Cc1ccc(C)c(CC(=O)NC2CC[NH+](C)CC2)c1 ZINC000076426501 177024229 /nfs/dbraw/zinc/02/42/29/177024229.db2.gz XCDIRJKBYKLMAO-UHFFFAOYSA-N 1 0 260.381 2.056 40 0 CEABRO CN(CC1CC[NH2+]CC1)C(=O)OCc1ccccc1 ZINC000079437753 177490755 /nfs/dbraw/zinc/49/07/55/177490755.db2.gz SXPPVIOGKHFMQQ-UHFFFAOYSA-N 1 0 262.353 2.255 40 0 CEABRO O=C(OCc1ccccc1)N1CCC12CC[NH2+]CC2 ZINC000091690549 260482365 /nfs/dbraw/zinc/48/23/65/260482365.db2.gz JGQLRCDLPRAZEY-UHFFFAOYSA-N 1 0 260.337 2.151 40 0 CEABRO Brc1ccc2c(c1)CC[C@@H]2N1CC[NH2+]CC1 ZINC000089064518 275370743 /nfs/dbraw/zinc/37/07/43/275370743.db2.gz WCEIEUVPWMKTLC-ZDUSSCGKSA-N 1 0 281.197 2.342 40 0 CEABRO CC[NH+](CC)CCCN[C@@H](C)C(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000026439638 276097487 /nfs/dbraw/zinc/09/74/87/276097487.db2.gz HNOIFNMTCSBWKU-JYJNAYRXSA-N 1 0 297.487 2.486 40 0 CEABRO C[C@H]1CN(c2cccc(CC3CC[NH+](C)CC3)n2)C(=O)O1 ZINC000257285010 279884521 /nfs/dbraw/zinc/88/45/21/279884521.db2.gz PFGBYXDRRMCDET-LBPRGKRZSA-N 1 0 289.379 2.311 40 0 CEABRO COc1ccc(CCN2CC[NH2+][C@@H]3CCC[C@H]32)cc1OC ZINC000218841008 333137000 /nfs/dbraw/zinc/13/70/00/333137000.db2.gz QVUJQUSFWWPCAB-HUUCEWRRSA-N 1 0 290.407 2.073 40 0 CEABRO CCOC(=O)c1cnn(C)c1C[N@H+](C)C1CCCCC1 ZINC000132191728 528311274 /nfs/dbraw/zinc/31/12/74/528311274.db2.gz CNFIEMJRBNPMSR-UHFFFAOYSA-N 1 0 279.384 2.361 40 0 CEABRO c1cn([C@@H]2CO[C@@]3(C2)CCC[N@@H+](Cc2ccccn2)C3)cn1 ZINC000096048563 185072535 /nfs/dbraw/zinc/07/25/35/185072535.db2.gz DCZVGCNCDNMRRP-DLBZAZTESA-N 1 0 298.390 2.274 40 0 CEABRO Cn1cc(CN2CC[C@@]3(C2)CCC[N@H+](CC2CC2)C3)cn1 ZINC000096046933 185073068 /nfs/dbraw/zinc/07/30/68/185073068.db2.gz MGCGQGONTAEEHU-KRWDZBQOSA-N 1 0 288.439 2.118 40 0 CEABRO O=C1C[C@@]2(CC[N@H+](Cc3ccoc3)C2)CN1c1ccccn1 ZINC000096050788 185074159 /nfs/dbraw/zinc/07/41/59/185074159.db2.gz UULUUCMSLMACPF-QGZVFWFLSA-N 1 0 297.358 2.304 40 0 CEABRO CCN1CCOCC12CC[NH+](Cc1cccc(C)n1)CC2 ZINC000096074593 185088310 /nfs/dbraw/zinc/08/83/10/185088310.db2.gz WHDOLXDGBKNDDY-UHFFFAOYSA-N 1 0 289.423 2.077 40 0 CEABRO c1ccc(COC[C@]23COC[C@H]2C[N@@H+](C2CCC2)C3)nc1 ZINC000096109030 185100292 /nfs/dbraw/zinc/10/02/92/185100292.db2.gz ABYKMZWXEZRMRZ-PBHICJAKSA-N 1 0 288.391 2.099 40 0 CEABRO Cn1cc(-c2ccccc2Br)[nH+]c1N ZINC000038540772 361986347 /nfs/dbraw/zinc/98/63/47/361986347.db2.gz JQRVXJQRILGDNE-UHFFFAOYSA-N 1 0 252.115 2.432 40 0 CEABRO CC(C)(C)OC(=O)N1C[C@H](C(F)(F)F)[C@](C)(C[NH3+])C1 ZINC000199768669 539185246 /nfs/dbraw/zinc/18/52/46/539185246.db2.gz ZDSLCPXFSMRFLB-GZMMTYOYSA-N 1 0 282.306 2.381 40 0 CEABRO CC[NH+]1CCN(c2cc(NC(C)=O)c(Cl)cc2N)CC1 ZINC000045891718 362170170 /nfs/dbraw/zinc/17/01/70/362170170.db2.gz AUQOPLRUZGBJQZ-UHFFFAOYSA-N 1 0 296.802 2.023 40 0 CEABRO Cc1cccc(CSCC(=O)NC2CC[NH+](C)CC2)c1 ZINC000047837421 362227495 /nfs/dbraw/zinc/22/74/95/362227495.db2.gz GHRQSOPCEIEZHL-UHFFFAOYSA-N 1 0 292.448 2.439 40 0 CEABRO CSc1nc(C)c(C[NH+]2CCCCCC2)c(=O)[nH]1 ZINC000062701954 343672853 /nfs/dbraw/zinc/67/28/53/343672853.db2.gz JWJLGLKNJVZEPX-UHFFFAOYSA-N 1 0 267.398 2.176 40 0 CEABRO CN1CCC([N@@H+]2CC[C@H](c3nc4ccccc4[nH]3)C2)CC1 ZINC000049169065 362342719 /nfs/dbraw/zinc/34/27/19/362342719.db2.gz PPINVMYDOUKZRM-ZDUSSCGKSA-N 1 0 284.407 2.446 40 0 biogenic,in-vitro CEABRO Brc1cncc2ncn(CC[NH+]3CCCC3)c21 ZINC000096311309 344239103 /nfs/dbraw/zinc/23/91/03/344239103.db2.gz WFVLCYVVORHQSG-UHFFFAOYSA-N 1 0 295.184 2.290 40 0 CEABRO Cc1ncc(CO)c(C[NH2+]C2CCCCC2)c1O ZINC000167257543 344478511 /nfs/dbraw/zinc/47/85/11/344478511.db2.gz FVGWVWIBLYGCLO-UHFFFAOYSA-N 1 0 250.342 2.010 40 0 CEABRO c1cc([C@@H](C2CCOCC2)N2CC[NH2+]CC2)cs1 ZINC000409442352 344889808 /nfs/dbraw/zinc/88/98/08/344889808.db2.gz UXWQCIPQHFHZPY-CQSZACIVSA-N 1 0 266.410 2.121 40 0 CEABRO c1ccn([C@@H](c2noc(C3C[NH2+]C3)n2)c2cccs2)c1 ZINC000409439675 344889815 /nfs/dbraw/zinc/88/98/15/344889815.db2.gz HVEBCQVLDIQAGP-GFCCVEGCSA-N 1 0 286.360 2.257 40 0 CEABRO CC[NH+](CC)C[C@@H]1CCC2(CN(C(=O)C3CCC3)C2)OC1 ZINC000575403526 344950041 /nfs/dbraw/zinc/95/00/41/344950041.db2.gz MNZSPODFZNFVQH-AWEZNQCLSA-N 1 0 294.439 2.136 40 0 CEABRO Cc1ncccc1C[N@@H+]1CC[C@](O)(COc2ccccc2)C1 ZINC000585274253 345009259 /nfs/dbraw/zinc/00/92/59/345009259.db2.gz HUUMIAVVSUBYHQ-GOSISDBHSA-N 1 0 298.386 2.406 40 0 CEABRO CC[N@@H+]1CCN[C@H](c2ccc(Br)cc2)C1 ZINC000056894789 362564605 /nfs/dbraw/zinc/56/46/05/362564605.db2.gz XEEGRBYLTRRLJW-LBPRGKRZSA-N 1 0 269.186 2.415 40 0 CEABRO CCNc1ncc(C[NH2+]CCc2ccccc2F)cn1 ZINC000062717542 362721106 /nfs/dbraw/zinc/72/11/06/362721106.db2.gz PDCJAEOGPFUWKH-UHFFFAOYSA-N 1 0 274.343 2.380 40 0 CEABRO COc1ccccc1C[N@@H+]1CC[C@@]2(CCN(C(C)=O)C2)C1 ZINC000063527620 362768334 /nfs/dbraw/zinc/76/83/34/362768334.db2.gz OOVFTNZHNZQELC-QGZVFWFLSA-N 1 0 288.391 2.140 40 0 CEABRO Cc1ccc(-c2noc(CSC(N)=[NH2+])n2)cc1C ZINC000089262030 179761759 /nfs/dbraw/zinc/76/17/59/179761759.db2.gz KMJKREOJXFNPKU-UHFFFAOYSA-N 1 0 262.338 2.480 40 0 CEABRO CC(C)(C)OC(=O)NCC12CCC(C[NH3+])(CC1)C2 ZINC000306145954 539753924 /nfs/dbraw/zinc/75/39/24/539753924.db2.gz XBOSTEDPJYUQFD-UHFFFAOYSA-N 1 0 254.374 2.420 40 0 CEABRO COC[C@@]12CCCO[C@@H]1CC[N@H+](Cc1scnc1C)C2 ZINC000107771332 186189718 /nfs/dbraw/zinc/18/97/18/186189718.db2.gz MPWGFTVATGFOKA-CABCVRRESA-N 1 0 296.436 2.469 40 0 CEABRO COc1ccccc1C[NH+]1CCC2(CCC(=O)NC2)CC1 ZINC000108524621 186220554 /nfs/dbraw/zinc/22/05/54/186220554.db2.gz HLTKAYUMLZPYLI-UHFFFAOYSA-N 1 0 288.391 2.187 40 0 CEABRO Cc1nc([C@@H]2CCC[NH2+]2)cc(N2CCC(C)CC2)n1 ZINC000072386523 363132709 /nfs/dbraw/zinc/13/27/09/363132709.db2.gz LYOYICDZAVTHCR-ZDUSSCGKSA-N 1 0 260.385 2.446 40 0 CEABRO Brc1ccc([C@H]2C[C@@H]2CN2CC[NH2+]CC2)cc1 ZINC000575424321 366284199 /nfs/dbraw/zinc/28/41/99/366284199.db2.gz YWNHAKLRYRIPIH-TZMCWYRMSA-N 1 0 295.224 2.458 40 0 CEABRO CC(=O)N1CC2(CC[NH2+]CC2)c2cc(Cl)ccc21 ZINC000079276323 363587198 /nfs/dbraw/zinc/58/71/98/363587198.db2.gz BWLWOGAORABMAD-UHFFFAOYSA-N 1 0 264.756 2.328 40 0 CEABRO [NH3+]CCS[C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000079392265 363593527 /nfs/dbraw/zinc/59/35/27/363593527.db2.gz XTKWSJVUVSQBJF-AWEZNQCLSA-N 1 0 294.420 2.480 40 0 CEABRO C[C@H](NC(=O)[C@H]1CCC[N@H+](C)C1)c1ccc(F)cc1 ZINC000081229410 363706609 /nfs/dbraw/zinc/70/66/09/363706609.db2.gz NFDYWPSMUKIVND-AAEUAGOBSA-N 1 0 264.344 2.345 40 0 CEABRO C[NH+](C)C[C@](O)(C(=O)c1ccccc1)c1ccccc1 ZINC000001717665 361219528 /nfs/dbraw/zinc/21/95/28/361219528.db2.gz FJCGGRSKGXDLFX-QGZVFWFLSA-N 1 0 269.344 2.319 40 0 CEABRO C=Cn1ncc(C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c1C ZINC000012146535 361374578 /nfs/dbraw/zinc/37/45/78/361374578.db2.gz XKJBIGFPYFIZLS-HZPDHXFCSA-N 1 0 275.396 2.419 40 0 CEABRO C[C@H](C(=O)N(C)Cc1nc2ccccc2[nH]1)[NH+]1CCCC1 ZINC000019077440 361519163 /nfs/dbraw/zinc/51/91/63/361519163.db2.gz HEWMVAASTMSSCE-GFCCVEGCSA-N 1 0 286.379 2.006 40 0 CEABRO Cc1nc([C@@H]2CC[N@H+](Cc3cccc(F)c3)C2)cc(=O)[nH]1 ZINC000019285255 361525172 /nfs/dbraw/zinc/52/51/72/361525172.db2.gz QFQXWYAXZGLQQN-CYBMUJFWSA-N 1 0 287.338 2.207 40 0 CEABRO Cc1c2cc(F)ccc2[nH]c1C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000019565401 361542834 /nfs/dbraw/zinc/54/28/34/361542834.db2.gz VXIPIJWUFSKVMN-GFCCVEGCSA-N 1 0 289.354 2.439 40 0 CEABRO C[N@@H+]1CCC[C@H](NC(=O)CCCOc2ccccc2F)C1 ZINC000019588509 361544937 /nfs/dbraw/zinc/54/49/37/361544937.db2.gz HJRIFPPCIXSQMB-ZDUSSCGKSA-N 1 0 294.370 2.195 40 0 CEABRO O=C(NCc1ccccc1C[NH+]1CCCC1)C1CC1 ZINC000030556563 361699535 /nfs/dbraw/zinc/69/95/35/361699535.db2.gz SXDJEMUUNXXOTG-UHFFFAOYSA-N 1 0 258.365 2.309 40 0 CEABRO [NH3+]Cc1cncn1Cc1cccc(Br)c1 ZINC000085197428 363832407 /nfs/dbraw/zinc/83/24/07/363832407.db2.gz ZIMGOPJKBGOBGL-UHFFFAOYSA-N 1 0 266.142 2.153 40 0 CEABRO O=c1ccc2c(n1CC1CC1)CC[C@@H]([NH2+]Cc1ccco1)C2 ZINC000096189724 364407490 /nfs/dbraw/zinc/40/74/90/364407490.db2.gz NDAJPNJDNVBJTB-OAHLLOKOSA-N 1 0 298.386 2.498 40 0 CEABRO c1csc(C[NH+]2C[C@H]3CN(c4ncccn4)C[C@@H]3C2)c1 ZINC000096053983 364400585 /nfs/dbraw/zinc/40/05/85/364400585.db2.gz ANIIWYBBFQLODF-STQMWFEESA-N 1 0 286.404 2.106 40 0 CEABRO Cc1ccc(C[N@H+]2C[C@H]3CN(C(=O)C4CC4)C[C@H]3C2)cc1 ZINC000096161740 364404712 /nfs/dbraw/zinc/40/47/12/364404712.db2.gz AKDJCSKHGKODCI-CALCHBBNSA-N 1 0 284.403 2.295 40 0 CEABRO CO[C@@H]1COC2(C1)CC[NH+](Cc1scnc1C)CC2 ZINC000096206325 364410053 /nfs/dbraw/zinc/41/00/53/364410053.db2.gz PKMBGXREVZVQFQ-LBPRGKRZSA-N 1 0 282.409 2.221 40 0 CEABRO CC(C)[C@H]1CO[C@@]2(CC[N@H+](Cc3cnn(C)c3)C2)C1 ZINC000096218249 364411916 /nfs/dbraw/zinc/41/19/16/364411916.db2.gz ODYKVAIZCSTCFV-CABCVRRESA-N 1 0 263.385 2.057 40 0 CEABRO c1ccc(N2CCC[C@@]3(CC[N@@H+]([C@@H]4CCOC4)C3)C2)nc1 ZINC000096216796 364412016 /nfs/dbraw/zinc/41/20/16/364412016.db2.gz XHXQCHGEJUTSKP-WBVHZDCISA-N 1 0 287.407 2.163 40 0 CEABRO Cc1nnc([C@H]2CO[C@@H]3C[N@H+](CC4CCCCC4)C[C@H]23)o1 ZINC000096216486 364412380 /nfs/dbraw/zinc/41/23/80/364412380.db2.gz XHMZTIMNILVKLS-QLFBSQMISA-N 1 0 291.395 2.373 40 0 CEABRO CC(C)[N@H+](C)[C@H]1c2ccccc2[C@@H]2CN(CCO)C[C@@H]21 ZINC000096251701 364417281 /nfs/dbraw/zinc/41/72/81/364417281.db2.gz YXCAZWHBGHFHAV-ULQDDVLXSA-N 1 0 274.408 2.089 40 0 CEABRO CCc1ncnc2c1CC[N@H+](Cc1ccncc1)CC2 ZINC000096255022 364418758 /nfs/dbraw/zinc/41/87/58/364418758.db2.gz RZWCEBVMGUNAPD-UHFFFAOYSA-N 1 0 268.364 2.035 40 0 CEABRO CC(C)(C)OC(=O)NCC1(c2ccccn2)CC[NH2+]CC1 ZINC000098213746 364537850 /nfs/dbraw/zinc/53/78/50/364537850.db2.gz XGNBXYJJCGGRDW-UHFFFAOYSA-N 1 0 291.395 2.228 40 0 CEABRO CC(C)(C)OC(=O)N1CCC([NH3+])(c2cccnc2)CC1 ZINC000098213790 364538260 /nfs/dbraw/zinc/53/82/60/364538260.db2.gz VBJSVRFWYHZVPW-UHFFFAOYSA-N 1 0 277.368 2.267 40 0 CEABRO C[C@H]([NH2+][C@H]1CC[C@H](O)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000104350940 364694456 /nfs/dbraw/zinc/69/44/56/364694456.db2.gz VQVMYHRQSXIYNR-FPMFFAJLSA-N 1 0 297.420 2.044 40 0 CEABRO O=C1CCCC[C@@H]2[NH2+][C@H](Cc3ccccc3)C[C@@H]2N1 ZINC000219773081 370226274 /nfs/dbraw/zinc/22/62/74/370226274.db2.gz RYLKWCWAOOJWSN-ILXRZTDVSA-N 1 0 258.365 2.018 40 0 CEABRO Cc1occc1C(=O)N1CCc2c(C[NH+](C)C)cncc2C1 ZINC000248147052 371165195 /nfs/dbraw/zinc/16/51/95/371165195.db2.gz WDKOBATZGJWACS-UHFFFAOYSA-N 1 0 299.374 2.243 40 0 CEABRO c1cc2n(c1)C[C@H](Oc1ncccn1)C[N@@H+](C1CCC1)C2 ZINC000253588370 371530728 /nfs/dbraw/zinc/53/07/28/371530728.db2.gz ABYAVUPSOTWCIM-HNNXBMFYSA-N 1 0 284.363 2.094 40 0 CEABRO COc1cc([C@H](C)NC(=O)C(C)(C)[NH3+])ccc1OC(C)C ZINC000237091890 189863367 /nfs/dbraw/zinc/86/33/67/189863367.db2.gz ZTZDHODVVBLWLQ-NSHDSACASA-N 1 0 294.395 2.397 40 0 CEABRO COc1ccc(C[C@H]2CN(c3ccnc(C)n3)CCO2)cc1 ZINC000257284790 371611206 /nfs/dbraw/zinc/61/12/06/371611206.db2.gz PEIBNFUBPNZZSG-INIZCTEOSA-N 1 0 299.374 2.242 40 0 CEABRO Cc1c[nH]nc1C[C@@H]1CCC[N@@H+](Cc2cnn(C)c2C)C1 ZINC000257201153 190010622 /nfs/dbraw/zinc/01/06/22/190010622.db2.gz AGNOWOWNIJNTCS-AWEZNQCLSA-N 1 0 287.411 2.215 40 0 CEABRO C[N@@H+]1CCC[C@@H](Cc2cncc(-c3ncco3)n2)C1 ZINC000257200832 190011096 /nfs/dbraw/zinc/01/10/96/190011096.db2.gz AFBJBNIGFMZBBI-NSHDSACASA-N 1 0 258.325 2.016 40 0 CEABRO CO[C@H]1C[N@H+](Cc2ccccc2F)C[C@@]12CCCO2 ZINC000257204499 190011222 /nfs/dbraw/zinc/01/12/22/190011222.db2.gz AUXIPTNMPPWUKI-GJZGRUSLSA-N 1 0 265.328 2.206 40 0 CEABRO CCn1nccc1-c1cc(C[C@H]2CC[NH2+]C2)ccn1 ZINC000257209273 190011918 /nfs/dbraw/zinc/01/19/18/190011918.db2.gz BPSXIUNSBCCFJP-CYBMUJFWSA-N 1 0 256.353 2.117 40 0 CEABRO Cc1c[nH]c([C@H]2CCC[N@H+](Cc3cccnc3)C2)n1 ZINC000257211445 190011999 /nfs/dbraw/zinc/01/19/99/190011999.db2.gz BYWRYLPVNJFTLE-AWEZNQCLSA-N 1 0 256.353 2.493 40 0 CEABRO CCCn1cc(-c2nccnc2[C@@H]2CCC[NH2+]C2)cn1 ZINC000257219692 190013991 /nfs/dbraw/zinc/01/39/91/190013991.db2.gz DHSSZGHHSKKDMP-GFCCVEGCSA-N 1 0 271.368 2.217 40 0 CEABRO Cc1cc(-c2cccc(C[C@@H]3CC[N@@H+](C)C3)n2)n[nH]1 ZINC000257228238 190015936 /nfs/dbraw/zinc/01/59/36/190015936.db2.gz FSYXVKKUTKPCQJ-LBPRGKRZSA-N 1 0 256.353 2.274 40 0 CEABRO CNc1nccnc1C[C@@H]1CCC[N@H+](Cc2cccn2C)C1 ZINC000257233160 190016726 /nfs/dbraw/zinc/01/67/26/190016726.db2.gz GOBNKKCHBHQBCW-AWEZNQCLSA-N 1 0 299.422 2.312 40 0 CEABRO CCCn1nccc1-c1cnc(C[C@H]2CC[N@H+](C)C2)cn1 ZINC000257221302 190014757 /nfs/dbraw/zinc/01/47/57/190014757.db2.gz DOJMZVLOJYEMNL-CYBMUJFWSA-N 1 0 285.395 2.244 40 0 CEABRO c1ncc(C[N@@H+]2CCC[C@H](c3ccc4c[nH]nc4n3)C2)[nH]1 ZINC000257221438 190014923 /nfs/dbraw/zinc/01/49/23/190014923.db2.gz DPAAJBHTMBUVFJ-LBPRGKRZSA-N 1 0 282.351 2.061 40 0 CEABRO Cn1cc(C[NH+]2CCC(C)(c3nccs3)CC2)cn1 ZINC000257226060 190015132 /nfs/dbraw/zinc/01/51/32/190015132.db2.gz FIYNIAPPBJBQEW-UHFFFAOYSA-N 1 0 276.409 2.430 40 0 CEABRO C[C@]1(O)C[N@@H+](C2CCOCC2)CC[C@@H]1Oc1ccccc1 ZINC000257236844 190017494 /nfs/dbraw/zinc/01/74/94/190017494.db2.gz HEABEMRLXCWIBB-IRXDYDNUSA-N 1 0 291.391 2.070 40 0 CEABRO CCn1cc(C[N@@H+]2CCC[C@@H](Cc3n[nH]cc3C)C2)cn1 ZINC000257242982 190018697 /nfs/dbraw/zinc/01/86/97/190018697.db2.gz IFBLANPSVXYIEP-AWEZNQCLSA-N 1 0 287.411 2.389 40 0 CEABRO O[C@H]1CCCOC12CC[NH+](CCOc1ccccc1)CC2 ZINC000257242614 190018737 /nfs/dbraw/zinc/01/87/37/190018737.db2.gz IDIGZMPINRWGRO-INIZCTEOSA-N 1 0 291.391 2.071 40 0 CEABRO Cc1c(CN2CC[N@H+](C)[C@H](c3ccccc3)C2)cnn1C ZINC000257265372 190023305 /nfs/dbraw/zinc/02/33/05/190023305.db2.gz LYJYESWOWCELET-KRWDZBQOSA-N 1 0 284.407 2.217 40 0 CEABRO Cc1cn(C)c([C@H]2CCC[N@H+](Cc3[nH]cnc3C)C2)n1 ZINC000257272262 190024053 /nfs/dbraw/zinc/02/40/53/190024053.db2.gz NBRRDXRGHAQQFD-ZDUSSCGKSA-N 1 0 273.384 2.140 40 0 CEABRO COc1ccc(C[C@H]2CC[C@@H]3C[N@H+](CCO)C[C@H]23)cc1 ZINC000257287912 190027298 /nfs/dbraw/zinc/02/72/98/190027298.db2.gz PRYKQDDSFRLHOW-BFYDXBDKSA-N 1 0 275.392 2.188 40 0 CEABRO Cc1ncc(-c2cccc([C@@H]3CCC[NH2+]C3)n2)n1C ZINC000257313166 190031716 /nfs/dbraw/zinc/03/17/16/190031716.db2.gz URGHJBGSAUPMJX-GFCCVEGCSA-N 1 0 256.353 2.258 40 0 CEABRO c1cc(Nc2cnccn2)nc(C2CC[NH2+]CC2)c1 ZINC000257314362 190032828 /nfs/dbraw/zinc/03/28/28/190032828.db2.gz UWQBVWHPDATFQS-UHFFFAOYSA-N 1 0 255.325 2.082 40 0 CEABRO COc1ccc([C@H]2C[NH2+]CCN2Cc2cc(C)on2)cc1 ZINC000257328920 190034919 /nfs/dbraw/zinc/03/49/19/190034919.db2.gz XHPRBYXGFFJRFX-MRXNPFEDSA-N 1 0 287.363 2.138 40 0 CEABRO OCc1ccc2[n+](c1)CC[C@H]1c3ccccc3N[C@H]21 ZINC000001630877 285299576 /nfs/dbraw/zinc/29/95/76/285299576.db2.gz UKJZAAHCIOGYKL-BBRMVZONSA-N 1 0 253.325 2.121 40 0 CEABRO CC(C)[N@@H+]1C[C@@H]2CC[C@H](C1)C2C(=O)NCc1ccco1 ZINC000096252352 256834785 /nfs/dbraw/zinc/83/47/85/256834785.db2.gz RLWHKKMEDXGKQJ-NNQSOWQGSA-N 1 0 276.380 2.262 40 0 CEABRO CC[NH+](CC)CCCNCc1cnc(SC)nc1 ZINC000062718338 394570698 /nfs/dbraw/zinc/57/06/98/394570698.db2.gz FFQCCZKNGIJLIX-UHFFFAOYSA-N 1 0 268.430 2.020 40 0 CEABRO Cc1ccc([C@@H]2[C@@H]([NH3+])[C@H]2S(=O)(=O)c2ccccc2)cc1 ZINC000252515590 394572161 /nfs/dbraw/zinc/57/21/61/394572161.db2.gz MBUUNKJRMFXISU-OAGGEKHMSA-N 1 0 287.384 2.262 40 0 CEABRO CCOCC[C@@H]1CCOC2(C[NH+](C3CCOCC3)C2)C1 ZINC000253384027 394577827 /nfs/dbraw/zinc/57/78/27/394577827.db2.gz NKGQRDPNCAPMQT-CQSZACIVSA-N 1 0 283.412 2.073 40 0 CEABRO Cc1ccc(C(=O)N2CC[C@]3(CC[N@@H+]3CC3CC3)C2)cn1 ZINC000096076001 394675540 /nfs/dbraw/zinc/67/55/40/394675540.db2.gz SNTCGSQPTBGBHB-KRWDZBQOSA-N 1 0 285.391 2.090 40 0 CEABRO CC[C@@H]([C@H]([NH3+])c1cccc(Cl)c1)S(C)(=O)=O ZINC000096524863 394697551 /nfs/dbraw/zinc/69/75/51/394697551.db2.gz JCTBSICHYIMVTC-WDEREUQCSA-N 1 0 261.774 2.163 40 0 CEABRO C[N@H+]1[C@@H]2CC[C@H]1CC(OC(=O)c1ccccc1O)C2 ZINC000004773087 170014509 /nfs/dbraw/zinc/01/45/09/170014509.db2.gz LOUPXMATWIQUJK-FOSCPWQOSA-N 1 0 261.321 2.174 40 0 CEABRO CCN(CC)c1ccc2cc(C(N)=S)c(=[NH2+])oc2c1 ZINC000005499491 170104872 /nfs/dbraw/zinc/10/48/72/170104872.db2.gz GHTGDLQPUQIRFH-UHFFFAOYSA-N 1 0 275.377 2.393 40 0 CEABRO C[NH+](C)CCNc1ncnc2c3ccccc3oc21 ZINC000005535382 170110033 /nfs/dbraw/zinc/11/00/33/170110033.db2.gz ORRMEOJNSUBSLO-UHFFFAOYSA-N 1 0 256.309 2.350 40 0 CEABRO C[C@@H](C[NH+]1CCCCC1)N1C(=O)c2ccccc2C1=O ZINC000005559536 170113530 /nfs/dbraw/zinc/11/35/30/170113530.db2.gz QFESKPKJLWCPHZ-LBPRGKRZSA-N 1 0 272.348 2.157 40 0 CEABRO C[N@@H+]1CCC[C@@H](CNC(=S)NC2CCCCC2)C1 ZINC000009876491 170388351 /nfs/dbraw/zinc/38/83/51/170388351.db2.gz BDYLCLLFPJYFFA-LBPRGKRZSA-N 1 0 269.458 2.125 40 0 CEABRO CCCc1nnc2sc(-c3ccc(C[NH3+])cc3)nn12 ZINC000015423923 170665780 /nfs/dbraw/zinc/66/57/80/170665780.db2.gz RCWVFUXQNSHWOE-UHFFFAOYSA-N 1 0 273.365 2.264 40 0 CEABRO CN(C)c1ccc(-c2noc(C3CC[NH2+]CC3)n2)cc1 ZINC000020268752 171124766 /nfs/dbraw/zinc/12/47/66/171124766.db2.gz QWSRVWHOWXMCOC-UHFFFAOYSA-N 1 0 272.352 2.270 40 0 CEABRO C[C@@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccc(F)cc1 ZINC000026781222 171499262 /nfs/dbraw/zinc/49/92/62/171499262.db2.gz WWQSPLICWQFGRY-TZMCWYRMSA-N 1 0 267.344 2.440 40 0 CEABRO COc1cc(OC)c([C@H]2C[C@H]2[C@H](C)[NH3+])c(OC)c1 ZINC000037376625 173165057 /nfs/dbraw/zinc/16/50/57/173165057.db2.gz DWPAOPGTQTXRQL-LSJOCFKGSA-N 1 0 251.326 2.163 40 0 CEABRO COC(C[NH2+]Cc1ccc(F)c(Br)c1)OC ZINC000037388355 173171690 /nfs/dbraw/zinc/17/16/90/173171690.db2.gz ZKXDPSKJJGYMAI-UHFFFAOYSA-N 1 0 292.148 2.297 40 0 CEABRO Fc1ccc(-c2noc(C3CC[NH2+]CC3)n2)c(F)c1 ZINC000199783053 414840207 /nfs/dbraw/zinc/84/02/07/414840207.db2.gz BFXWIIHQBHCJAC-UHFFFAOYSA-N 1 0 265.263 2.482 40 0 CEABRO CC(C)C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000046239343 175395230 /nfs/dbraw/zinc/39/52/30/175395230.db2.gz JRURFABZADYSNM-UHFFFAOYSA-N 1 0 260.381 2.207 40 0 CEABRO NC(=[NH2+])SCCCCCN1C(=O)c2ccccc2C1=O ZINC000071980718 176307736 /nfs/dbraw/zinc/30/77/36/176307736.db2.gz MVBKDGAIFNLHBH-UHFFFAOYSA-N 1 0 291.376 2.080 40 0 CEABRO C[C@H]1C[N@@H+]2C[C@H](O)C[C@H]2CN1Cc1cccc2ccccc21 ZINC000072324766 176369548 /nfs/dbraw/zinc/36/95/48/176369548.db2.gz ZGBDGAFMTAUITL-JCGIZDLHSA-N 1 0 296.414 2.479 40 0 CEABRO COC(=O)c1ccc(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)cc1 ZINC000072324457 176369913 /nfs/dbraw/zinc/36/99/13/176369913.db2.gz XIPUQLOHVWTLQE-BBRMVZONSA-N 1 0 288.391 2.142 40 0 CEABRO Cc1cc(NC[C@@]2(C)CCCO2)nc(C2CC[NH2+]CC2)n1 ZINC000072365473 176380596 /nfs/dbraw/zinc/38/05/96/176380596.db2.gz UUKTVIJJUTVWQU-MRXNPFEDSA-N 1 0 290.411 2.233 40 0 CEABRO OCC[N@@H+]1CCC[C@H]1c1ccnc(Nc2ccccn2)c1 ZINC000072367766 176382787 /nfs/dbraw/zinc/38/27/87/176382787.db2.gz CODQHAYKTLHIDW-AWEZNQCLSA-N 1 0 284.363 2.349 40 0 CEABRO C[NH+]1CCC(c2ccc(N[C@@H]3CCCOC3)cn2)CC1 ZINC000072386910 176392740 /nfs/dbraw/zinc/39/27/40/176392740.db2.gz KIRRDGXEFCOMCW-OAHLLOKOSA-N 1 0 275.396 2.482 40 0 CEABRO COc1ccccc1C[NH+]1CCC2(CCCNC2=O)CC1 ZINC000072393735 176394452 /nfs/dbraw/zinc/39/44/52/176394452.db2.gz VBQHVRKMRQIXAF-UHFFFAOYSA-N 1 0 288.391 2.187 40 0 CEABRO COC[C@@H](O)C[N@@H+]1C[C@H](c2ccc(F)cc2)C[C@H]1C ZINC000077177251 177230750 /nfs/dbraw/zinc/23/07/50/177230750.db2.gz ABCPPHYURVKKRG-KYOSRNDESA-N 1 0 267.344 2.011 40 0 CEABRO C[C@]1(c2ccccc2)[C@@H]([NH3+])C(=O)N1c1ccccc1 ZINC000256054631 419470322 /nfs/dbraw/zinc/47/03/22/419470322.db2.gz XCNCMEVLLHWOEV-HOCLYGCPSA-N 1 0 252.317 2.276 40 0 CEABRO CC(C)[C@@H]1COC2(C1)CC[NH+](Cc1cnn(C)c1)CC2 ZINC000096047901 275686836 /nfs/dbraw/zinc/68/68/36/275686836.db2.gz ZVIYXQBTQKUVQJ-HNNXBMFYSA-N 1 0 277.412 2.447 40 0 CEABRO CCc1noc(C)c1C(=O)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000257243262 288657895 /nfs/dbraw/zinc/65/78/95/288657895.db2.gz IGDHSPPJVHDVOZ-HNNXBMFYSA-N 1 0 299.374 2.332 40 0 CEABRO COc1cc(OC)c([C@@H]2C[C@@H]2[C@@H](C)[NH3+])c(OC)c1 ZINC000216250453 327817742 /nfs/dbraw/zinc/81/77/42/327817742.db2.gz DWPAOPGTQTXRQL-FBIMIBRVSA-N 1 0 251.326 2.163 40 0 CEABRO COc1ccc([C@]23CCC(=O)N2[C@@H]2CCCC[C@H]2[NH2+]3)cc1 ZINC000248265942 334297788 /nfs/dbraw/zinc/29/77/88/334297788.db2.gz ZCQCHXXNRLTQGO-INMHGKMJSA-N 1 0 286.375 2.385 40 0 CEABRO c1cncc(O[C@H]2CC[C@H]3[C@H]2OCC[N@H+]3C2CCC2)c1 ZINC000096042144 185070382 /nfs/dbraw/zinc/07/03/82/185070382.db2.gz LTAYJRNCKHPMIG-HRCADAONSA-N 1 0 274.364 2.245 40 0 CEABRO c1coc(C[N@@H+]2CC[C@H]3C[C@H](c4ccncn4)O[C@@H]3C2)c1 ZINC000096046109 185071129 /nfs/dbraw/zinc/07/11/29/185071129.db2.gz BQGMDGWVORPEED-APHBMKBZSA-N 1 0 285.347 2.422 40 0 CEABRO CCN1CCC2(CC[NH+](Cc3ccoc3)CC2)C1=O ZINC000096046735 185071270 /nfs/dbraw/zinc/07/12/70/185071270.db2.gz PYRRXGICIBIUNL-UHFFFAOYSA-N 1 0 262.353 2.114 40 0 CEABRO c1cncc(O[C@H]2CO[C@]3(C2)CCC[N@@H+](CC2CC2)C3)c1 ZINC000096048280 185073118 /nfs/dbraw/zinc/07/31/18/185073118.db2.gz ZBFMLLPEFXQEAR-SJORKVTESA-N 1 0 288.391 2.494 40 0 CEABRO COCC[NH+]1CCC2(C[C@@H](Oc3ccccc3)CO2)CC1 ZINC000096048149 185073633 /nfs/dbraw/zinc/07/36/33/185073633.db2.gz HHEFWCWIKDSFPA-MRXNPFEDSA-N 1 0 291.391 2.335 40 0 CEABRO CC[NH2+]Cc1ccccc1I ZINC000034616021 361791864 /nfs/dbraw/zinc/79/18/64/361791864.db2.gz MUKNTRPGCMWOOF-UHFFFAOYSA-N 1 0 261.106 2.401 40 0 CEABRO CC(C)[N@H+](C)Cc1cnc2n1CCN(Cc1ccncc1)C2 ZINC000096061779 185082360 /nfs/dbraw/zinc/08/23/60/185082360.db2.gz NREOCRGAOACIHT-UHFFFAOYSA-N 1 0 299.422 2.134 40 0 CEABRO Cc1noc(C)c1C[N@H+]1CCC[C@]2(CCCC(=O)N2C)C1 ZINC000096077019 185089086 /nfs/dbraw/zinc/08/90/86/185089086.db2.gz KPPSIKPWOBSXPQ-MRXNPFEDSA-N 1 0 291.395 2.268 40 0 CEABRO Cn1cc(CN2CCC[C@@]3(CC[N@H+](CC4CC4)C3)C2)cn1 ZINC000096100150 185098157 /nfs/dbraw/zinc/09/81/57/185098157.db2.gz ILIIEBSWRGWCIF-QGZVFWFLSA-N 1 0 288.439 2.118 40 0 CEABRO COc1ccc(C[N@H+]2CCC[C@]3(C[C@@H](OC)CO3)C2)cc1 ZINC000096107182 185099610 /nfs/dbraw/zinc/09/96/10/185099610.db2.gz RQXYGPPQFBFRSS-SJORKVTESA-N 1 0 291.391 2.465 40 0 CEABRO O=C(Cc1ccc(Cl)cc1)NCC[NH+]1CCCCC1 ZINC000010331463 343363777 /nfs/dbraw/zinc/36/37/77/343363777.db2.gz BWPVXRDFVJNHME-UHFFFAOYSA-N 1 0 280.799 2.485 40 0 CEABRO C[C@H](C[NH2+]Cc1ccc2c(c1)OCO2)C(=O)OC(C)(C)C ZINC000047219073 362201777 /nfs/dbraw/zinc/20/17/77/362201777.db2.gz GKKVXSVJILGWTC-LLVKDONJSA-N 1 0 293.363 2.483 40 0 CEABRO FC(F)(F)c1cccnc1OC[C@H]1CCC[NH2+]C1 ZINC000051883038 362442042 /nfs/dbraw/zinc/44/20/42/362442042.db2.gz IXMGNFCWUHNQTP-VIFPVBQESA-N 1 0 260.259 2.479 40 0 CEABRO Cc1nnc2n1[C@H]1C[N@@H+](Cc3ccccc3F)C[C@H]1CC2 ZINC000019288366 282365876 /nfs/dbraw/zinc/36/58/76/282365876.db2.gz VEEFAYMXOGETNA-HIFRSBDPSA-N 1 0 286.354 2.345 40 0 CEABRO Cc1cccc(C[N@@H+]2CC[C@](O)(COc3ccccc3)C2)n1 ZINC000585269495 345009001 /nfs/dbraw/zinc/00/90/01/345009001.db2.gz XBVGIURQBUGSKZ-GOSISDBHSA-N 1 0 298.386 2.406 40 0 CEABRO C[C@@H]1CN(C(=O)c2ccc(C(C)(C)C)cc2)CC[NH2+]1 ZINC000062656655 362719229 /nfs/dbraw/zinc/71/92/29/362719229.db2.gz CZBBVCHBGNHGBW-GFCCVEGCSA-N 1 0 260.381 2.418 40 0 CEABRO CC(C)(C)c1ccc(-c2nnc(CN3CC[NH2+]CC3)[nH]2)cc1 ZINC000064875469 362799039 /nfs/dbraw/zinc/79/90/39/362799039.db2.gz WKOFFIURUMBIOX-UHFFFAOYSA-N 1 0 299.422 2.174 40 0 CEABRO CCOc1cc([C@@H](O)CC[NH3+])cc(OCC)c1OCC ZINC000087347454 179414971 /nfs/dbraw/zinc/41/49/71/179414971.db2.gz SGTAPWZYCUNAMB-LBPRGKRZSA-N 1 0 283.368 2.265 40 0 CEABRO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](CC2CCOCC2)C1 ZINC000067801214 362925318 /nfs/dbraw/zinc/92/53/18/362925318.db2.gz BCTFNJAAWPWZKN-CYBMUJFWSA-N 1 0 284.400 2.012 40 0 CEABRO CC(C)Nc1nc(NCc2ccccn2)cc(C2CC2)[nH+]1 ZINC000328972662 202135988 /nfs/dbraw/zinc/13/59/88/202135988.db2.gz DXFDPGHAPQHQLT-UHFFFAOYSA-N 1 0 283.379 2.025 40 0 CEABRO CC(C)[N@H+](CCO)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000079395098 363595112 /nfs/dbraw/zinc/59/51/12/363595112.db2.gz ZFCBPDQQOVKMTB-KRWDZBQOSA-N 1 0 276.424 2.354 40 0 CEABRO COc1cccc(CN(C(=O)[C@@H]([NH3+])C(C)C)C(C)C)c1 ZINC000079421026 363598358 /nfs/dbraw/zinc/59/83/58/363598358.db2.gz KMVSBUHNAAMFTC-HNNXBMFYSA-N 1 0 278.396 2.416 40 0 CEABRO CC[NH2+]C[C@H]1CCCN1C(=O)OCc1ccccc1 ZINC000079437154 363600894 /nfs/dbraw/zinc/60/08/94/363600894.db2.gz VPMJDLCXKBRYQC-CQSZACIVSA-N 1 0 262.353 2.397 40 0 CEABRO COc1cc(CC[NH2+]C(C)C)cc(OC)c1OC ZINC000001604301 361211638 /nfs/dbraw/zinc/21/16/38/361211638.db2.gz QHYFTRPMTCBUNL-UHFFFAOYSA-N 1 0 253.342 2.253 40 0 CEABRO COc1ccc([C@@H](O)[C@@H]([NH3+])c2ccc(OC)cc2)cc1 ZINC000001666001 361214726 /nfs/dbraw/zinc/21/47/26/361214726.db2.gz DUEBHXGFCXXGHK-JKSUJKDBSA-N 1 0 273.332 2.437 40 0 in-vitro CEABRO CC[NH+](CC)CCC(=O)N[C@@H]1CCc2ccccc2C1 ZINC000004537671 361321087 /nfs/dbraw/zinc/32/10/87/361321087.db2.gz RBCWWTUSDJGMHO-MRXNPFEDSA-N 1 0 274.408 2.392 40 0 CEABRO CC(=O)N(C)C1CCC2(CC1)C[NH2+]Cc1ccccc1O2 ZINC000019016244 361519206 /nfs/dbraw/zinc/51/92/06/361519206.db2.gz GGDPFCLYWWZZLX-UHFFFAOYSA-N 1 0 288.391 2.328 40 0 CEABRO Cc1cc(C[C@@H]2COC[C@H]2[NH2+]Cc2cccs2)on1 ZINC000019120685 361521261 /nfs/dbraw/zinc/52/12/61/361521261.db2.gz XOOHJWGFHHOLQG-BXUZGUMPSA-N 1 0 278.377 2.392 40 0 CEABRO Cn1cnc2ccc(NC(=O)C[C@H]3CCCC[N@@H+]3C)cc21 ZINC000019655673 361546738 /nfs/dbraw/zinc/54/67/38/361546738.db2.gz BCYSBVBWIULBDZ-CYBMUJFWSA-N 1 0 286.379 2.386 40 0 CEABRO Cc1nn(C)cc1-c1cncn1CC[N@H+](C)C1CCCC1 ZINC000019719508 361548838 /nfs/dbraw/zinc/54/88/38/361548838.db2.gz ARMYAOQCLYBIMZ-UHFFFAOYSA-N 1 0 287.411 2.466 40 0 CEABRO C[C@@H](O)C[NH2+]CCNCc1ccc(Cl)cc1Cl ZINC000022075238 361587073 /nfs/dbraw/zinc/58/70/73/361587073.db2.gz HHYRPSDBXBXHOA-SECBINFHSA-N 1 0 277.195 2.053 40 0 CEABRO NC(=[NH2+])SCc1nc(-c2c(F)cccc2F)no1 ZINC000089262052 363952344 /nfs/dbraw/zinc/95/23/44/363952344.db2.gz XYZWIPHCFFHGFI-UHFFFAOYSA-N 1 0 270.264 2.141 40 0 CEABRO O=C1CCCC[C@H]2[C@H](CC[N@@H+]2Cc2ccccc2)N1 ZINC000095951699 364394930 /nfs/dbraw/zinc/39/49/30/364394930.db2.gz WASRQIFITMWSCC-GJZGRUSLSA-N 1 0 258.365 2.320 40 0 CEABRO c1coc(C[N@@H+]2CCc3ncnc([C@@H]4CCOC4)c3CC2)c1 ZINC000096058627 364400501 /nfs/dbraw/zinc/40/05/01/364400501.db2.gz JKCCSEIPJVVDTP-CYBMUJFWSA-N 1 0 299.374 2.174 40 0 CEABRO Cn1cccc1CN1CC2(C1)CC[N@H+](Cc1cccnc1)C2 ZINC000096202501 364411350 /nfs/dbraw/zinc/41/13/50/364411350.db2.gz YWTVOAGYUKTZOQ-UHFFFAOYSA-N 1 0 296.418 2.128 40 0 CEABRO C[NH+](C)[C@@H]1CCN(C(=O)c2ccoc2)[C@H]1Cc1ccncc1 ZINC000096200987 364411407 /nfs/dbraw/zinc/41/14/07/364411407.db2.gz GTKZRQMOUXFWRD-CVEARBPZSA-N 1 0 299.374 2.062 40 0 CEABRO CN1c2ccccc2[C@]2(CC[N@H+](CC3CCC3)C2)C1=O ZINC000096244807 364417244 /nfs/dbraw/zinc/41/72/44/364417244.db2.gz BFWZCPNOBWAAIT-QGZVFWFLSA-N 1 0 270.376 2.407 40 0 CEABRO CC(C)[N@@H+]1CC[C@H]2CN(C(=O)Cc3ccsc3)C[C@H]2C1 ZINC000096246086 364417256 /nfs/dbraw/zinc/41/72/56/364417256.db2.gz AWBHWVCUBZNANU-LSDHHAIUSA-N 1 0 292.448 2.479 40 0 CEABRO [NH3+]Cc1cn(-c2cc(C(F)(F)F)ccc2Cl)nn1 ZINC000585143661 367184323 /nfs/dbraw/zinc/18/43/23/367184323.db2.gz ZQMNIUSUGPJDQR-UHFFFAOYSA-N 1 0 276.649 2.398 40 0 CEABRO CCCNC(=O)C1=NO[C@]2(C1)CCC[N@H+](CCC(C)C)C2 ZINC000585101208 367177191 /nfs/dbraw/zinc/17/71/91/367177191.db2.gz OBCULYIJHIEIKN-INIZCTEOSA-N 1 0 295.427 2.170 40 0 CEABRO CCC[C@H](C)[N@@H+]1CCC[C@@]2(CN(c3ncccn3)C2=O)C1 ZINC000585099695 367177483 /nfs/dbraw/zinc/17/74/83/367177483.db2.gz YMCUZPKWOHVKKM-BBRMVZONSA-N 1 0 288.395 2.094 40 0 CEABRO CON(C)C(=O)CC1CC[NH+](Cc2ccccc2)CC1 ZINC000199551939 370149006 /nfs/dbraw/zinc/14/90/06/370149006.db2.gz AVOGHRVJLFDZNY-UHFFFAOYSA-N 1 0 276.380 2.309 40 0 CEABRO COc1ccc(OC)c(N[C@H]2CCCC[C@@H]2[NH3+])c1 ZINC000218863356 370214084 /nfs/dbraw/zinc/21/40/84/370214084.db2.gz BKLNFQIKBLLQLC-RYUDHWBXSA-N 1 0 250.342 2.386 40 0 CEABRO COCC[NH2+]Cc1cccn1-c1cccc(OC)c1 ZINC000223688614 370270468 /nfs/dbraw/zinc/27/04/68/370270468.db2.gz VQQSQMBMDZPKTR-UHFFFAOYSA-N 1 0 260.337 2.222 40 0 CEABRO O=C(N[C@H]1C[NH+]2CCC1CC2)[C@@H]1CCCc2ccccc21 ZINC000021999765 284244677 /nfs/dbraw/zinc/24/46/77/284244677.db2.gz KOAZNWLKDYIEHQ-SJORKVTESA-N 1 0 284.403 2.317 40 0 CEABRO C[N@@H+]1CC[C@]2(c3ccccc3)CCN(C(=O)C3CC3)C[C@@H]12 ZINC000248121708 371162317 /nfs/dbraw/zinc/16/23/17/371162317.db2.gz KHUQSPQHMNEIHO-SJLPKXTDSA-N 1 0 284.403 2.271 40 0 CEABRO C[NH+](C)C[C@H]1CN(CCc2ccccc2)Cc2ccnn21 ZINC000248152625 371164768 /nfs/dbraw/zinc/16/47/68/371164768.db2.gz YDPISZSPQWZXKR-KRWDZBQOSA-N 1 0 284.407 2.044 40 0 CEABRO c1cn2ccc([C@@H]3CCCN3c3ncccn3)cc2n1 ZINC000257231383 371609593 /nfs/dbraw/zinc/60/95/93/371609593.db2.gz GGLVHRILJSCFTK-ZDUSSCGKSA-N 1 0 265.320 2.466 40 0 CEABRO FCCn1cc(C[NH2+]Cc2ccc(F)cc2)cn1 ZINC000256050557 190003003 /nfs/dbraw/zinc/00/30/03/190003003.db2.gz FMWGYUUZNXWMSD-UHFFFAOYSA-N 1 0 251.280 2.282 40 0 CEABRO CCn1cc(C[NH2+]Cc2cn(C(C)C)nc2C)cn1 ZINC000256050239 190003124 /nfs/dbraw/zinc/00/31/24/190003124.db2.gz DGRKXXHDTLWQBT-UHFFFAOYSA-N 1 0 261.373 2.279 40 0 CEABRO CCCn1cc(C[NH2+]Cc2ccnn2CCF)c(C)n1 ZINC000256052177 190004495 /nfs/dbraw/zinc/00/44/95/190004495.db2.gz MFBYANMDONNLTE-UHFFFAOYSA-N 1 0 279.363 2.057 40 0 CEABRO Cc1cn(-c2ccnc([C@H]3CCC[NH2+]C3)c2)c(C)n1 ZINC000257205596 190011378 /nfs/dbraw/zinc/01/13/78/190011378.db2.gz AZUBXXQNRMKMAP-ZDUSSCGKSA-N 1 0 256.353 2.351 40 0 CEABRO O[C@@H]1CCCC[C@@H]1[NH+]1CCC(O)(c2ccccc2F)CC1 ZINC000257213686 190013141 /nfs/dbraw/zinc/01/31/41/190013141.db2.gz CIQPYJJYXVEWKF-JKSUJKDBSA-N 1 0 293.382 2.413 40 0 CEABRO CC(=O)Nc1nc2nc(C3CC[NH+](C)CC3)ccc2s1 ZINC000257218304 190013835 /nfs/dbraw/zinc/01/38/35/190013835.db2.gz DCOYIWWZKXQDGI-UHFFFAOYSA-N 1 0 290.392 2.459 40 0 CEABRO c1csc(Nc2nccnc2[C@H]2CCC[NH2+]C2)n1 ZINC000257224631 190015488 /nfs/dbraw/zinc/01/54/88/190015488.db2.gz FCQHLEXEHULTQX-VIFPVBQESA-N 1 0 261.354 2.144 40 0 CEABRO CNc1cc([C@@H]2CCC[N@H+](Cc3cncn3C)C2)ccn1 ZINC000257268922 190023928 /nfs/dbraw/zinc/02/39/28/190023928.db2.gz MNUPAMOMPBUFKL-CQSZACIVSA-N 1 0 285.395 2.236 40 0 CEABRO O=C(Nc1nccs1)c1ccc(C2CC[NH2+]CC2)nc1 ZINC000257277260 190025650 /nfs/dbraw/zinc/02/56/50/190025650.db2.gz NXCLQXYUEIQFMQ-UHFFFAOYSA-N 1 0 288.376 2.257 40 0 CEABRO CC(C)n1cc(-c2cnc(C[C@@H]3CCC[NH2+]C3)cn2)cn1 ZINC000257286757 190027314 /nfs/dbraw/zinc/02/73/14/190027314.db2.gz PMXNVUHIXAAFJT-ZDUSSCGKSA-N 1 0 285.395 2.463 40 0 CEABRO CN1CCC([N@@H+]2CC[C@@H](c3ncn4ccsc34)C2)CC1 ZINC000257271879 190024356 /nfs/dbraw/zinc/02/43/56/190024356.db2.gz NADWQYCGYOKNIZ-GFCCVEGCSA-N 1 0 290.436 2.279 40 0 CEABRO Cc1c[nH]c(-c2cc(C)nc(CC3CC[NH2+]CC3)n2)n1 ZINC000257275234 190024564 /nfs/dbraw/zinc/02/45/64/190024564.db2.gz NOMCNRBPQRKYFB-UHFFFAOYSA-N 1 0 271.368 2.026 40 0 CEABRO Cc1cccc(C[N@@H+]2CC[C@@H](c3nccc(C)n3)C2)n1 ZINC000257293390 190028787 /nfs/dbraw/zinc/02/87/87/190028787.db2.gz QPGSNILBQSWVDJ-CQSZACIVSA-N 1 0 268.364 2.478 40 0 CEABRO O[C@H]1CC[N@H+](Cc2ccc3[nH]ccc3c2)C[C@@]12CCCO2 ZINC000257319236 190033683 /nfs/dbraw/zinc/03/36/83/190033683.db2.gz VRLDNBFWWHVDIE-IRXDYDNUSA-N 1 0 286.375 2.284 40 0 CEABRO Cc1n[nH]cc1C[NH+]1CCC(c2ccn3nccc3n2)CC1 ZINC000257319904 190033767 /nfs/dbraw/zinc/03/37/67/190033767.db2.gz VUNXAVOFXDYGHL-UHFFFAOYSA-N 1 0 296.378 2.140 40 0 CEABRO CO[C@H]1CC[N@H+](Cc2scnc2C)C[C@@]12CCCO2 ZINC000257332463 190035958 /nfs/dbraw/zinc/03/59/58/190035958.db2.gz XXKNXPSDCRAXNF-KBPBESRZSA-N 1 0 282.409 2.221 40 0 CEABRO c1cc(CC2CC[NH+](Cc3cncnc3)CC2)ccn1 ZINC000257336369 190036152 /nfs/dbraw/zinc/03/61/52/190036152.db2.gz YOCYWBYQFDENCC-UHFFFAOYSA-N 1 0 268.364 2.326 40 0 CEABRO Cc1cc(N2CCc3ccccc3C2)nc(N[C@H](C)CO)[nH+]1 ZINC000329071177 376930293 /nfs/dbraw/zinc/93/02/93/376930293.db2.gz ZNJONRSLZBDKIC-CYBMUJFWSA-N 1 0 298.390 2.140 40 0 CEABRO OCC[C@@H]1C[NH2+]Cc2ccc(Br)cc21 ZINC000095868227 285264206 /nfs/dbraw/zinc/26/42/06/285264206.db2.gz MTEXGWZWBPJLGY-SECBINFHSA-N 1 0 256.143 2.018 40 0 CEABRO [NH3+]CCN[C@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000019367688 394468145 /nfs/dbraw/zinc/46/81/45/394468145.db2.gz KSABEOZTQSQRBQ-HZPDHXFCSA-N 1 0 256.349 2.010 40 0 CEABRO C1CN2CCC1[C@H]([NH2+]C1C3CC4CC(C3)CC1C4)C2 ZINC000020160724 394470418 /nfs/dbraw/zinc/47/04/18/394470418.db2.gz RIATYXKWZKLAOT-KELMGXQASA-N 1 0 260.425 2.495 40 0 CEABRO C[C@@H](CCc1ccccc1)[NH2+]Cc1cnc(N)nc1 ZINC000062717407 394570648 /nfs/dbraw/zinc/57/06/48/394570648.db2.gz ZROIHONFWAQXSZ-LBPRGKRZSA-N 1 0 256.353 2.170 40 0 CEABRO O=C(Nc1ccccc1)c1conc1[C@@H]1CCC[NH2+]C1 ZINC000072208452 394592217 /nfs/dbraw/zinc/59/22/17/394592217.db2.gz HUGZISUMNIDISK-LLVKDONJSA-N 1 0 271.320 2.394 40 0 CEABRO CC(C)C[N@@H+]1CC[C@]2(C1)CCCN(c1ncccn1)C2 ZINC000096071627 394675548 /nfs/dbraw/zinc/67/55/48/394675548.db2.gz FZAWAWBVZWRZQL-INIZCTEOSA-N 1 0 274.412 2.425 40 0 CEABRO CC(C)(C)OC(=O)N1CCc2oc(C[NH3+])cc2C1 ZINC000096509846 394692847 /nfs/dbraw/zinc/69/28/47/394692847.db2.gz JMDGEGOKYFGAFM-UHFFFAOYSA-N 1 0 252.314 2.032 40 0 CEABRO CC[C@H]([C@@H]([NH3+])c1ccccc1C)S(=O)(=O)CC ZINC000096524970 394697157 /nfs/dbraw/zinc/69/71/57/394697157.db2.gz JHGWRWDTBYPKKB-OLZOCXBDSA-N 1 0 255.383 2.208 40 0 CEABRO CCOc1cc2c(cc1OCC)CN([C@@H]1CC[NH2+]C1)CC2 ZINC000096528103 394697209 /nfs/dbraw/zinc/69/72/09/394697209.db2.gz VDMWFSPJIWXZQE-OAHLLOKOSA-N 1 0 290.407 2.204 40 0 CEABRO Cc1ccc(Cl)c(OC[C@@]2(O)CCC[NH2+]C2)c1 ZINC000405133003 395287810 /nfs/dbraw/zinc/28/78/10/395287810.db2.gz ORANESOVJYVPJK-CYBMUJFWSA-N 1 0 255.745 2.142 40 0 CEABRO CC[NH+](CC)C1CCN(C(=O)c2ccc(OC)nc2)CC1 ZINC000019719155 170842607 /nfs/dbraw/zinc/84/26/07/170842607.db2.gz OCTHESYZUCRMFI-UHFFFAOYSA-N 1 0 291.395 2.037 40 0 CEABRO C[C@@H]1CN(Cc2nc3cc(Cl)ccc3[nH]2)CC[NH2+]1 ZINC000022122120 171353678 /nfs/dbraw/zinc/35/36/78/171353678.db2.gz VVXHUGNLADTCAF-SECBINFHSA-N 1 0 264.760 2.010 40 0 CEABRO [NH3+][C@@H](Cc1nc(-c2cccnc2)no1)c1ccccc1 ZINC000022152597 171359588 /nfs/dbraw/zinc/35/95/88/171359588.db2.gz FEDNYQGYGUVUNU-ZDUSSCGKSA-N 1 0 266.304 2.374 40 0 CEABRO C[C@@H]1CN([C@H](C[NH3+])c2cccc(Cl)c2)C[C@@H](C)O1 ZINC000022222156 171378654 /nfs/dbraw/zinc/37/86/54/171378654.db2.gz NLAGDHOLDUBGQI-JTNHKYCSSA-N 1 0 268.788 2.449 40 0 CEABRO CC(C)N(Cc1cccc(Cl)c1)C(=O)[C@H](C)[NH3+] ZINC000037808907 173752562 /nfs/dbraw/zinc/75/25/62/173752562.db2.gz MPIDQXVGBYQHOI-JTQLQIEISA-N 1 0 254.761 2.424 40 0 CEABRO O=C(OCc1ccccc1)N1CCCC2(C[NH2+]C2)C1 ZINC000038530195 174144213 /nfs/dbraw/zinc/14/42/13/174144213.db2.gz DMGJJLCZUUDTBP-UHFFFAOYSA-N 1 0 260.337 2.009 40 0 CEABRO [NH3+][C@@H]1CCCN(Cc2cccc(Br)c2)C1 ZINC000038539625 174145515 /nfs/dbraw/zinc/14/55/15/174145515.db2.gz AXWBHMBWRFARND-GFCCVEGCSA-N 1 0 269.186 2.372 40 0 CEABRO C[NH+]1CCC(NC(=O)/C=C/c2ccc(F)cc2)CC1 ZINC000038920525 174159354 /nfs/dbraw/zinc/15/93/54/174159354.db2.gz CPSVTQHAEPTVPH-QPJJXVBHSA-N 1 0 262.328 2.049 40 0 CEABRO CC[NH2+][C@@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000039952196 174176854 /nfs/dbraw/zinc/17/68/54/174176854.db2.gz AUHWJUIFKOMNQG-CQSZACIVSA-N 1 0 262.353 2.397 40 0 CEABRO CCCC[C@@H]1CN(Cc2ccccc2C(=O)OC)CC[NH2+]1 ZINC000039952524 174177086 /nfs/dbraw/zinc/17/70/86/174177086.db2.gz WQLMEPDMKSICJJ-OAHLLOKOSA-N 1 0 290.407 2.437 40 0 CEABRO CC(C)[NH2+]C[C@H](O)COC12CC3CC(CC(C3)C1)C2 ZINC000010434649 414746893 /nfs/dbraw/zinc/74/68/93/414746893.db2.gz IGZFOPMSKCNIIJ-DQGBIZLVSA-N 1 0 267.413 2.331 40 0 CEABRO OCC[N@@H+]1CCC[C@@H]1c1ccnc(Nc2ccccn2)c1 ZINC000072367767 176382227 /nfs/dbraw/zinc/38/22/27/176382227.db2.gz CODQHAYKTLHIDW-CQSZACIVSA-N 1 0 284.363 2.349 40 0 CEABRO Cc1nc[nH]c1C[N@@H+]1CC[C@@H](c2nc(C)cc(C)n2)C1 ZINC000072369805 176384056 /nfs/dbraw/zinc/38/40/56/176384056.db2.gz OMOCPVCIVLOTGZ-CYBMUJFWSA-N 1 0 271.368 2.114 40 0 CEABRO CC[NH+](CC)C1CCN(Cc2cnn3cccnc23)CC1 ZINC000072391769 176394054 /nfs/dbraw/zinc/39/40/54/176394054.db2.gz XXMDKYQGUFVVDI-UHFFFAOYSA-N 1 0 287.411 2.036 40 0 CEABRO COc1ccc(CN2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cc1OC ZINC000072397514 176394916 /nfs/dbraw/zinc/39/49/16/176394916.db2.gz AACBDFFUMQVXBK-DZGCQCFKSA-N 1 0 290.407 2.372 40 0 CEABRO C[NH2+]C[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000079437124 177490490 /nfs/dbraw/zinc/49/04/90/177490490.db2.gz UCYOGGQZCVGDMS-AWEZNQCLSA-N 1 0 262.353 2.255 40 0 CEABRO FC(F)(F)c1nc2cccnc2n1C1CC[NH2+]CC1 ZINC000015774457 274908154 /nfs/dbraw/zinc/90/81/54/274908154.db2.gz WZANTPWIWJXTIG-UHFFFAOYSA-N 1 0 270.258 2.375 40 0 CEABRO CCOC[C@@]12CCCO[C@@H]1CC[N@H+](CC1CCOCC1)C2 ZINC000096056859 276331727 /nfs/dbraw/zinc/33/17/27/276331727.db2.gz FXKMOSYEZHUKCQ-SJORKVTESA-N 1 0 297.439 2.321 40 0 CEABRO C[N@H+]1CC(=O)N2CCCC[C@H]2[C@@H](c2ccccc2)C1 ZINC000001717675 277022456 /nfs/dbraw/zinc/02/24/56/277022456.db2.gz XLQKRJBDBSWEHZ-CABCVRRESA-N 1 0 258.365 2.097 40 0 CEABRO C=Cn1ncc(C[N@@H+]2CC[C@]3(O)CCCC[C@H]3C2)c1C ZINC000257329534 327136682 /nfs/dbraw/zinc/13/66/82/327136682.db2.gz XKJBIGFPYFIZLS-JKSUJKDBSA-N 1 0 275.396 2.419 40 0 CEABRO COc1ccccc1C[NH2+]CCNc1nc(C)cc(C)n1 ZINC000062717857 333176100 /nfs/dbraw/zinc/17/61/00/333176100.db2.gz HMOXXTCMYMYUNZ-UHFFFAOYSA-N 1 0 286.379 2.304 40 0 CEABRO COc1ccc(OC)c(N2CC[NH2+][C@H]3CCC[C@@H]32)c1 ZINC000225717161 333182211 /nfs/dbraw/zinc/18/22/11/333182211.db2.gz AVNOMXBVIMRIKL-STQMWFEESA-N 1 0 262.353 2.035 40 0 CEABRO CO[C@@H]1C[N@H+](Cc2sccc2C)[C@@H]2CCCO[C@H]12 ZINC000096042335 185070704 /nfs/dbraw/zinc/07/07/04/185070704.db2.gz DGMFIODLNALDST-BZPMIXESSA-N 1 0 267.394 2.435 40 0 CEABRO O=C1CCCC2(CC[NH+](Cc3cccs3)CC2)N1 ZINC000096047384 185072628 /nfs/dbraw/zinc/07/26/28/185072628.db2.gz MJVYHYSFISPDSF-UHFFFAOYSA-N 1 0 264.394 2.383 40 0 CEABRO C[N@@H+]1CCCCC12CCN(C(=O)c1cccnc1)CC2 ZINC000096051206 185074226 /nfs/dbraw/zinc/07/42/26/185074226.db2.gz UNHXTZUHVLZYHS-UHFFFAOYSA-N 1 0 273.380 2.172 40 0 CEABRO Cc1noc([C@@H]2CC[C@@H]3[C@@H](CC[N@@H+]3Cc3ccco3)O2)n1 ZINC000096057350 185076998 /nfs/dbraw/zinc/07/69/98/185076998.db2.gz PYDHVRATCQOJEV-MCIONIFRSA-N 1 0 289.335 2.466 40 0 CEABRO Cc1noc([C@H]2CC[C@@H]3[C@@H](CC[N@@H+]3Cc3ccco3)O2)n1 ZINC000096057513 185077826 /nfs/dbraw/zinc/07/78/26/185077826.db2.gz PYDHVRATCQOJEV-MGPQQGTHSA-N 1 0 289.335 2.466 40 0 CEABRO O=c1ccc2c(n1CC1CC1)CC[N@H+](Cc1ccco1)CC2 ZINC000096059349 185081030 /nfs/dbraw/zinc/08/10/30/185081030.db2.gz RTDGEJQKRXXQGI-UHFFFAOYSA-N 1 0 298.386 2.452 40 0 CEABRO c1coc(C[NH2+]C[C@H]2OCCc3cn(CC4CC4)nc32)c1 ZINC000096059738 185081623 /nfs/dbraw/zinc/08/16/23/185081623.db2.gz DYEIHLPFXBQAMZ-OAHLLOKOSA-N 1 0 287.363 2.290 40 0 CEABRO CC(C)[N@@H+]1CC[C@H]2CN(C(=O)C3CCCC3)C[C@H]2C1 ZINC000096081395 185090999 /nfs/dbraw/zinc/09/09/99/185090999.db2.gz WMIOWGGTPHCWRW-LSDHHAIUSA-N 1 0 264.413 2.365 40 0 CEABRO CC(C)(C)OC(=O)N1C[C@H](C(F)(F)F)[C@@](C)(C[NH3+])C1 ZINC000199768655 539185217 /nfs/dbraw/zinc/18/52/17/539185217.db2.gz ZDSLCPXFSMRFLB-KWQFWETISA-N 1 0 282.306 2.381 40 0 CEABRO COC(=O)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000047916423 362231130 /nfs/dbraw/zinc/23/11/30/362231130.db2.gz PJNHGEVWGQMWFZ-UHFFFAOYSA-N 1 0 251.301 2.211 40 0 CEABRO c1ccn([C@H](c2noc(C3C[NH2+]C3)n2)c2cccs2)c1 ZINC000409439688 344889857 /nfs/dbraw/zinc/88/98/57/344889857.db2.gz HVEBCQVLDIQAGP-LBPRGKRZSA-N 1 0 286.360 2.257 40 0 CEABRO CCn1cc(C[N@@H+]2CC[C@H](Cc3ccccc3)[C@H](O)C2)cn1 ZINC000585280053 345010186 /nfs/dbraw/zinc/01/01/86/345010186.db2.gz XIAQEGMPSNDTQJ-QZTJIDSGSA-N 1 0 299.418 2.329 40 0 CEABRO CCC[NH2+]C1(Cc2cc(-c3ccccn3)on2)COC1 ZINC000067898275 362931723 /nfs/dbraw/zinc/93/17/23/362931723.db2.gz KFIBGPRKMRFJHG-UHFFFAOYSA-N 1 0 273.336 2.048 40 0 biogenic,in-vitro CEABRO c1csc(CN2CC[N@@H+]3C[C@@H](OCC4CC4)C[C@@H]3C2)c1 ZINC000107746629 186189092 /nfs/dbraw/zinc/18/90/92/186189092.db2.gz NRAXYOAGABLPCC-CABCVRRESA-N 1 0 292.448 2.433 40 0 CEABRO CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000098092032 538807551 /nfs/dbraw/zinc/80/75/51/538807551.db2.gz MLILEIUKVIPULY-RFAUZJTJSA-N 1 0 288.347 2.413 40 0 CEABRO CC(C)[C@H]([NH3+])C(=O)N([C@@H](C)c1ccccn1)C1CC1 ZINC000079421851 363598560 /nfs/dbraw/zinc/59/85/60/363598560.db2.gz FTHVYNIPQBPTRL-FZMZJTMJSA-N 1 0 261.369 2.117 40 0 CEABRO CCN(Cc1c(F)cccc1Cl)C(=O)[C@H](C)[NH3+] ZINC000079420283 363598588 /nfs/dbraw/zinc/59/85/88/363598588.db2.gz LBBWWGGKAZGFCD-QMMMGPOBSA-N 1 0 258.724 2.175 40 0 CEABRO Cc1ccc(C(C)C)c(OCCNC2=[NH+]CCN2)c1 ZINC000001688456 361217498 /nfs/dbraw/zinc/21/74/98/361217498.db2.gz PHRNFOLMYWGHTE-UHFFFAOYSA-N 1 0 261.369 2.046 40 0 CEABRO Cc1cccc(OC[C@@H](O)C[NH2+]C(C)(C)C)c1C ZINC000001871526 361223472 /nfs/dbraw/zinc/22/34/72/361223472.db2.gz RKUQLAPSGZJLGP-ZDUSSCGKSA-N 1 0 251.370 2.431 40 0 in-man CEABRO CC(=O)O[C@H]1CC[N@@H+](Cc2ccco2)[C@H](C)[C@H]1C ZINC000004127443 361301804 /nfs/dbraw/zinc/30/18/04/361301804.db2.gz HAVUOHMCCLLASZ-GYSYKLTISA-N 1 0 251.326 2.442 40 0 CEABRO COCCCNC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000010339087 361350266 /nfs/dbraw/zinc/35/02/66/361350266.db2.gz ITHOBBXODSLRDT-UHFFFAOYSA-N 1 0 290.407 2.439 40 0 CEABRO C[N@@H+]1CCC[C@@H](C(=O)NCc2ccc(Cl)cc2)C1 ZINC000082307242 363763106 /nfs/dbraw/zinc/76/31/06/363763106.db2.gz RGLGIXJQHWUFFW-GFCCVEGCSA-N 1 0 266.772 2.298 40 0 CEABRO COc1ccc([C@@H]([NH3+])CNC(=O)OC(C)(C)C)c(OC)c1 ZINC000012357118 361379460 /nfs/dbraw/zinc/37/94/60/361379460.db2.gz ZGJWJSYPOVKKER-LBPRGKRZSA-N 1 0 296.367 2.228 40 0 CEABRO C[C@H](Oc1ccc(Cl)cc1)C(=O)NCCC[NH+](C)C ZINC000014399961 361458093 /nfs/dbraw/zinc/45/80/93/361458093.db2.gz BGVHLKXGJWTQMD-NSHDSACASA-N 1 0 284.787 2.175 40 0 CEABRO [NH3+]Cc1cccc(OCC(=O)Nc2ccccc2F)c1 ZINC000019267160 361523975 /nfs/dbraw/zinc/52/39/75/361523975.db2.gz XFSXWOXUCULOJC-UHFFFAOYSA-N 1 0 274.295 2.302 40 0 CEABRO [NH3+]Cc1cccc(OCC(=O)Nc2ccccc2)c1 ZINC000019277486 361525446 /nfs/dbraw/zinc/52/54/46/361525446.db2.gz NEOGNIFNJRUHHP-UHFFFAOYSA-N 1 0 256.305 2.163 40 0 CEABRO COc1ccccc1C[N@@H+]1CC[C@@H](c2cc(=O)[nH]c(C)n2)C1 ZINC000019285275 361527005 /nfs/dbraw/zinc/52/70/05/361527005.db2.gz ZADOTEKMGLFTIQ-CYBMUJFWSA-N 1 0 299.374 2.076 40 0 CEABRO CC(C)N(Cc1c(F)cccc1Cl)C(=O)C[NH3+] ZINC000032110777 361728616 /nfs/dbraw/zinc/72/86/16/361728616.db2.gz GJLDLZNKDCULGS-UHFFFAOYSA-N 1 0 258.724 2.175 40 0 CEABRO CCC[NH+]1CCC2(CC1)CN(Cc1cccnc1)CCO2 ZINC000096158804 364403395 /nfs/dbraw/zinc/40/33/95/364403395.db2.gz NALFJOOCCMQIKU-UHFFFAOYSA-N 1 0 289.423 2.158 40 0 CEABRO CC[C@H](C)[N@H+]1C[C@H]2CN(Cc3ccccn3)C[C@H]2C1 ZINC000096161608 364404877 /nfs/dbraw/zinc/40/48/77/364404877.db2.gz NQIJXWNUFWUPJI-SOUVJXGZSA-N 1 0 259.397 2.244 40 0 CEABRO COC(=O)c1cccc(F)c1Oc1cc[nH+]c(N)c1 ZINC000098175364 364536910 /nfs/dbraw/zinc/53/69/10/364536910.db2.gz OBIUBYGHPSJCMC-UHFFFAOYSA-N 1 0 262.240 2.382 40 0 CEABRO [NH3+]Cc1ccc(I)c(F)c1F ZINC000098210854 364537887 /nfs/dbraw/zinc/53/78/87/364537887.db2.gz KCMAZZYTFPASNL-UHFFFAOYSA-N 1 0 269.032 2.028 40 0 CEABRO CC(C)(C)OC(=O)N1CCC(C[NH3+])(c2ccccn2)CC1 ZINC000098213759 364538210 /nfs/dbraw/zinc/53/82/10/364538210.db2.gz KABABXQNVVZILM-UHFFFAOYSA-N 1 0 291.395 2.309 40 0 CEABRO COC(=O)c1ccc(C)c(NC(=O)C2CC[NH+](C)CC2)c1 ZINC000174398084 368018596 /nfs/dbraw/zinc/01/85/96/368018596.db2.gz JPODNVVGJYLWHC-UHFFFAOYSA-N 1 0 290.363 2.062 40 0 CEABRO COc1cc(N[C@H]2CCCC[C@@H]2[NH3+])cc(OC)c1OC ZINC000218866255 370214097 /nfs/dbraw/zinc/21/40/97/370214097.db2.gz SFTCHGYWUKAPPW-RYUDHWBXSA-N 1 0 280.368 2.394 40 0 CEABRO Cc1ccc(-c2ccc3nnc([C@@H]4CC[NH2+]C4)n3n2)cc1 ZINC000217557798 370196551 /nfs/dbraw/zinc/19/65/51/370196551.db2.gz KANTUZROUPIWKS-CYBMUJFWSA-N 1 0 279.347 2.177 40 0 CEABRO CCOC(C)(C)C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000225647152 370309165 /nfs/dbraw/zinc/30/91/65/370309165.db2.gz BBBCCTRUFWSRGT-UHFFFAOYSA-N 1 0 294.395 2.381 40 0 CEABRO CCOCC[C@H]1CCOC2(C[NH+](C3CCOCC3)C2)C1 ZINC000253384026 371513825 /nfs/dbraw/zinc/51/38/25/371513825.db2.gz NKGQRDPNCAPMQT-AWEZNQCLSA-N 1 0 283.412 2.073 40 0 CEABRO CC(=O)Nc1nc2nc(C3CC[NH2+]CC3)ccc2s1 ZINC000257344383 371612865 /nfs/dbraw/zinc/61/28/65/371612865.db2.gz ZWZIPPXTVALYQF-UHFFFAOYSA-N 1 0 276.365 2.117 40 0 CEABRO CCN(CC)C(=O)c1cncc(C[C@@H]2CCC[N@H+](C)C2)c1 ZINC000257222120 190014488 /nfs/dbraw/zinc/01/44/88/190014488.db2.gz DRZYPFNJTKQLKP-AWEZNQCLSA-N 1 0 289.423 2.448 40 0 CEABRO Cn1ncc2ccc([C@@H]3CCC[N@H+](Cc4cc[nH]n4)C3)nc21 ZINC000257266113 190022921 /nfs/dbraw/zinc/02/29/21/190022921.db2.gz MBQFEQQIRXWHKT-CYBMUJFWSA-N 1 0 296.378 2.071 40 0 CEABRO Cc1n[nH]c(C)c1-c1cncc(CC2CC[NH+](C)CC2)n1 ZINC000257270315 190023740 /nfs/dbraw/zinc/02/37/40/190023740.db2.gz MTRGKRKDAGWOGP-UHFFFAOYSA-N 1 0 285.395 2.368 40 0 CEABRO Cc1cccnc1C[N@@H+]1CCCC[C@]2(C)NC(=O)CC[C@H]12 ZINC000257269618 190023867 /nfs/dbraw/zinc/02/38/67/190023867.db2.gz MQRWCCSOSWRVSE-RDJZCZTQSA-N 1 0 287.407 2.413 40 0 CEABRO C[C@@]1(C[NH3+])CCC[C@@H](O)[C@@H](O)[C@H](c2ccccc2)C1 ZINC000257288073 190027116 /nfs/dbraw/zinc/02/71/16/190027116.db2.gz PSRHNVJKAJUOQQ-XUWVNRHRSA-N 1 0 263.381 2.031 40 0 CEABRO CCN(CC)C(=O)c1cc([C@H]2CCC[N@@H+]2C)ccn1 ZINC000257274597 190025102 /nfs/dbraw/zinc/02/51/02/190025102.db2.gz NLUIAYFETPUVBI-CQSZACIVSA-N 1 0 261.369 2.330 40 0 CEABRO Cc1csc(Nc2cccc([C@@H]3C[NH2+]CCO3)n2)n1 ZINC000257300515 190029818 /nfs/dbraw/zinc/02/98/18/190029818.db2.gz RUORNWFKVMJJIA-NSHDSACASA-N 1 0 276.365 2.251 40 0 CEABRO Cc1ccn(CCNc2ccc([C@@H]3CCC[N@H+]3C)nc2)n1 ZINC000257335496 190036033 /nfs/dbraw/zinc/03/60/33/190036033.db2.gz YKJQWBSSWOXBLK-INIZCTEOSA-N 1 0 285.395 2.465 40 0 CEABRO Cc1ccn(CCNc2ccc([C@H]3CCC[N@H+]3C)nc2)n1 ZINC000257335497 190036230 /nfs/dbraw/zinc/03/62/30/190036230.db2.gz YKJQWBSSWOXBLK-MRXNPFEDSA-N 1 0 285.395 2.465 40 0 CEABRO c1cc(CC2CC[NH2+]CC2)nc(Nc2cnccn2)c1 ZINC000257337106 190036356 /nfs/dbraw/zinc/03/63/56/190036356.db2.gz YRJXLFIOVJXFBA-UHFFFAOYSA-N 1 0 269.352 2.157 40 0 CEABRO C[C@@H]1[C@@H](C[NH3+])CCCN1C(=O)OCc1ccccc1 ZINC000261508048 190040231 /nfs/dbraw/zinc/04/02/31/190040231.db2.gz PFJWIVGSPJSBPC-TZMCWYRMSA-N 1 0 262.353 2.382 40 0 CEABRO CCCCC(=O)N1CC2(C1)C[C@@H](COCC)CC[N@@H+]2C ZINC000306126096 376540432 /nfs/dbraw/zinc/54/04/32/376540432.db2.gz DMQGHXGKDVSOOM-AWEZNQCLSA-N 1 0 282.428 2.136 40 0 CEABRO CCN(C[C@@H]1CCCC[N@@H+]1CCO)C(=O)OC(C)(C)C ZINC000079408012 285022227 /nfs/dbraw/zinc/02/22/27/285022227.db2.gz MDVPSSCHAXHKJZ-ZDUSSCGKSA-N 1 0 286.416 2.090 40 0 CEABRO CC(C)[N@@H+]1C[C@@H](c2ccccc2)[C@@]2(CCN(C)C2=O)C1 ZINC000096201860 256820822 /nfs/dbraw/zinc/82/08/22/256820822.db2.gz JYHOBYGPAYKLRH-DOTOQJQBSA-N 1 0 272.392 2.343 40 0 CEABRO CC(C)[N@@H+]1CC[C@@]2(C1)CCC[C@H](CNc1ncccn1)O2 ZINC000096219187 256826645 /nfs/dbraw/zinc/82/66/45/256826645.db2.gz MZQUFQMYDGEQSO-GDBMZVCRSA-N 1 0 290.411 2.311 40 0 CEABRO [NH3+]CCCSc1ccc2c(c1)CCC(=O)N2CCF ZINC000218813672 130771048 /nfs/dbraw/zinc/77/10/48/130771048.db2.gz KUHKHQWDQAMTAV-UHFFFAOYSA-N 1 0 282.384 2.376 40 0 CEABRO C[C@H]1CN(c2ccc(C(F)(F)F)cc2N)C[C@H](C)[NH2+]1 ZINC000008702547 394461671 /nfs/dbraw/zinc/46/16/71/394461671.db2.gz AURPGRMGISUDJJ-IUCAKERBSA-N 1 0 273.302 2.474 40 0 CEABRO Cc1ccc(-c2cnc3n2C[C@]2(CC[NH2+]C2)C3)cc1 ZINC000306128208 394513822 /nfs/dbraw/zinc/51/38/22/394513822.db2.gz GUINZAOQYQKSHA-MRXNPFEDSA-N 1 0 253.349 2.394 40 0 CEABRO COC(=O)[C@H]1C[C@@H]2c3[nH]c4ccccc4c3CC[N@H+]2C1 ZINC000031719762 394487200 /nfs/dbraw/zinc/48/72/00/394487200.db2.gz XKJYWJCEEMLZSB-IINYFYTJSA-N 1 0 270.332 2.260 40 0 CEABRO O=C1N(CC2CCCCC2)CCC12CC[NH2+]CC2 ZINC000096157195 394676748 /nfs/dbraw/zinc/67/67/48/394676748.db2.gz GLWCZKNQANNTFC-UHFFFAOYSA-N 1 0 250.386 2.169 40 0 CEABRO COCC[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1ccncc1)C2 ZINC000096089852 394677348 /nfs/dbraw/zinc/67/73/48/394677348.db2.gz HVAHXPKUFJYZSK-SJORKVTESA-N 1 0 290.407 2.489 40 0 CEABRO CC[C@H]([C@@H]([NH3+])c1ccc(C)cc1)S(=O)(=O)CC ZINC000096524954 394697519 /nfs/dbraw/zinc/69/75/19/394697519.db2.gz CKZJMYYKLAUAMS-OLZOCXBDSA-N 1 0 255.383 2.208 40 0 CEABRO O[C@@H](COc1ccccc1F)C[NH+]1CCCCCC1 ZINC000006528783 170210891 /nfs/dbraw/zinc/21/08/91/170210891.db2.gz PJRITBUGJSHFIA-CYBMUJFWSA-N 1 0 267.344 2.441 40 0 CEABRO [NH3+]CC1(NC(=O)c2ccc(Cl)cc2)CCCC1 ZINC000006745154 170239001 /nfs/dbraw/zinc/23/90/01/170239001.db2.gz JZSISZNPZYIJQC-UHFFFAOYSA-N 1 0 252.745 2.341 40 0 CEABRO C[N@@H+]1CCC[C@@H](CNC(=S)Nc2ccccc2)C1 ZINC000009876099 170387967 /nfs/dbraw/zinc/38/79/67/170387967.db2.gz XPCBNUOPRIYXMJ-LBPRGKRZSA-N 1 0 263.410 2.315 40 0 CEABRO Cc1cccc(NC(=O)NC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000009876668 170388315 /nfs/dbraw/zinc/38/83/15/170388315.db2.gz TYLVPGWQYQRUDW-CYBMUJFWSA-N 1 0 261.369 2.458 40 0 CEABRO COc1ccc(C[N@@H+]2CC[C@H](c3nc(C)cc(=O)[nH]3)C2)cc1 ZINC000019118461 170752522 /nfs/dbraw/zinc/75/25/22/170752522.db2.gz IRIPJNBZGPCWAX-AWEZNQCLSA-N 1 0 299.374 2.076 40 0 CEABRO [NH3+]Cc1ccc(OCC(=O)Nc2ccccc2F)cc1 ZINC000019261288 170762406 /nfs/dbraw/zinc/76/24/06/170762406.db2.gz XSFVNLZJXNDLCF-UHFFFAOYSA-N 1 0 274.295 2.302 40 0 CEABRO CCN(CC)CC[NH2+][C@H](C)C(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000022586295 171393205 /nfs/dbraw/zinc/39/32/05/171393205.db2.gz CXSVMOSHBAQULZ-SOUVJXGZSA-N 1 0 283.460 2.096 40 0 CEABRO O=C(c1ccccc1F)N1CCC[C@]2(CCC[NH2+]C2)C1 ZINC000033426382 171793397 /nfs/dbraw/zinc/79/33/97/171793397.db2.gz VLYAMKFDKOYABB-INIZCTEOSA-N 1 0 276.355 2.432 40 0 CEABRO [NH3+][C@H]1CCN(Cc2cc(Br)cs2)C1 ZINC000038539043 174145218 /nfs/dbraw/zinc/14/52/18/174145218.db2.gz NOMWHCSPUSQESL-QMMMGPOBSA-N 1 0 261.188 2.044 40 0 CEABRO O=C(NCCC[NH+]1CCCCCC1)c1cccnc1 ZINC000057288707 175590654 /nfs/dbraw/zinc/59/06/54/175590654.db2.gz ZXIZMCUEDHLMTF-UHFFFAOYSA-N 1 0 261.369 2.078 40 0 CEABRO Cc1nc(C2CC[NH+](Cc3ccncc3)CC2)cc(=O)[nH]1 ZINC000072363787 176378327 /nfs/dbraw/zinc/37/83/27/176378327.db2.gz ZAQYBGMBUUXUEZ-UHFFFAOYSA-N 1 0 284.363 2.265 40 0 CEABRO c1cnc([C@H]2CCC[N@@H+](Cc3ccncc3)C2)cn1 ZINC000072363788 176378499 /nfs/dbraw/zinc/37/84/99/176378499.db2.gz YVRHPRAEKCXGLO-AWEZNQCLSA-N 1 0 254.337 2.251 40 0 CEABRO C[N@@H+]1CCC[C@@H](c2ccnc(Nc3cnccn3)c2)C1 ZINC000072364990 176380118 /nfs/dbraw/zinc/38/01/18/176380118.db2.gz JGYJGKZGDZEEGU-CYBMUJFWSA-N 1 0 269.352 2.424 40 0 CEABRO CNc1cncc([C@H]2CCCN2c2cc[nH+]cc2)n1 ZINC000072380948 176386988 /nfs/dbraw/zinc/38/69/88/176386988.db2.gz PSRNLKRLDJTRGI-CYBMUJFWSA-N 1 0 255.325 2.255 40 0 CEABRO Cc1nc(Nc2ccccn2)cc([C@@H]2CC[N@@H+](C)C2)n1 ZINC000072382608 176387988 /nfs/dbraw/zinc/38/79/88/176387988.db2.gz GYMYTPWKPQTRFA-GFCCVEGCSA-N 1 0 269.352 2.343 40 0 CEABRO c1cc([C@H]2C[NH2+]CCO2)ncc1NC1CCCCC1 ZINC000072386432 176391426 /nfs/dbraw/zinc/39/14/26/176391426.db2.gz PVDUWGOXGYMEHX-OAHLLOKOSA-N 1 0 261.369 2.487 40 0 CEABRO [NH3+][C@@H](Cc1ccccc1)C(=O)N/C=C/c1ccccc1 ZINC000498049495 262218571 /nfs/dbraw/zinc/21/85/71/262218571.db2.gz XELOBUFGOXPRGZ-PCUGXKRQSA-N 1 0 266.344 2.344 40 0 CEABRO Cc1cccc(CN2C(=O)CCC23CC[NH2+]CC3)c1 ZINC000096228322 265336614 /nfs/dbraw/zinc/33/66/14/265336614.db2.gz JRBJATSYAMMAQD-UHFFFAOYSA-N 1 0 258.365 2.240 40 0 CEABRO C[NH+]1CCC(C(=O)N2CCCc3ccccc32)CC1 ZINC000074713313 273867869 /nfs/dbraw/zinc/86/78/69/273867869.db2.gz RPRVVVFXVSDOPG-UHFFFAOYSA-N 1 0 258.365 2.308 40 0 CEABRO COc1ccccc1-c1cnc2n1C[C@]1(CC[NH2+]C1)C2 ZINC000306140523 274155968 /nfs/dbraw/zinc/15/59/68/274155968.db2.gz UWAMYEUTSYLCGD-MRXNPFEDSA-N 1 0 269.348 2.095 40 0 CEABRO COc1cc2c(cc1OC)[C@H]1CC[N@@H+]3CCC[C@@H]3N1CC2 ZINC000019326991 277395289 /nfs/dbraw/zinc/39/52/89/277395289.db2.gz JBLQTGBNLYFHRP-PBHICJAKSA-N 1 0 288.391 2.429 40 0 CEABRO CC(C)(C)OC(=O)N(C[C@@H]1CCCC[N@@H+]1CCO)C1CC1 ZINC000079408216 278377686 /nfs/dbraw/zinc/37/76/86/278377686.db2.gz OFZATQAUJWWBLP-AWEZNQCLSA-N 1 0 298.427 2.233 40 0 CEABRO Cc1c[nH]c(NC(=[NH2+])N2CCc3ccccc3C2)n1 ZINC000072415084 280279123 /nfs/dbraw/zinc/27/91/23/280279123.db2.gz JUHHQPGFQANKQF-UHFFFAOYSA-N 1 0 255.325 2.123 40 0 CEABRO C[N@@H+]1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1cnco1 ZINC000257267658 290289650 /nfs/dbraw/zinc/28/96/50/290289650.db2.gz MIGOOPDAFOTMIO-ZGMNHVEMSA-N 1 0 289.379 2.152 40 0 CEABRO CNc1cncc(C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)n1 ZINC000257306869 327133769 /nfs/dbraw/zinc/13/37/69/327133769.db2.gz SWIXNKSEQUPSMS-CABCVRRESA-N 1 0 290.411 2.001 40 0 CEABRO N[C@@H](C[NH3+])c1cc(Br)cc(Br)c1 ZINC000044472006 327134524 /nfs/dbraw/zinc/13/45/24/327134524.db2.gz SSQNWRFNXOLVKK-QMMMGPOBSA-N 1 0 293.990 2.170 40 0 CEABRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000095876171 327203335 /nfs/dbraw/zinc/20/33/35/327203335.db2.gz ZRGNCGMVKKCVGY-BXUZGUMPSA-N 1 0 254.374 2.433 40 0 CEABRO COc1ccc([C@]23CCC(=O)N2[C@H]2CCCC[C@H]2[NH2+]3)cc1 ZINC000248265944 334297751 /nfs/dbraw/zinc/29/77/51/334297751.db2.gz ZCQCHXXNRLTQGO-VYDXJSESSA-N 1 0 286.375 2.385 40 0 CEABRO C[N@@H+]1CCC[C@@]2(CN(Cc3ccc(F)cc3)CCO2)C1 ZINC000096049066 185073354 /nfs/dbraw/zinc/07/33/54/185073354.db2.gz CQZBSGHCUGRSDI-INIZCTEOSA-N 1 0 278.371 2.122 40 0 CEABRO O=C1[C@H]2C[N@H+](Cc3cccnc3)C[C@H]2CN1c1ccccc1 ZINC000096053594 185073793 /nfs/dbraw/zinc/07/37/93/185073793.db2.gz OGHHDTIIPQZBSA-RDJZCZTQSA-N 1 0 293.370 2.176 40 0 CEABRO COc1ccc(C[N@@H+]2CCC[C@@]3(CCCC(=O)N3)C2)cc1 ZINC000096049946 185074053 /nfs/dbraw/zinc/07/40/53/185074053.db2.gz OUKKDIVLTZNWJP-KRWDZBQOSA-N 1 0 288.391 2.330 40 0 CEABRO O=C1[C@H]2C[N@H+](Cc3ccccn3)C[C@@H]2CN1c1ccccc1 ZINC000096053593 185075012 /nfs/dbraw/zinc/07/50/12/185075012.db2.gz CEDUHCXFNALMTE-PBHICJAKSA-N 1 0 293.370 2.176 40 0 CEABRO Fc1cccc(O[C@@H]2C[C@@H]3C[N@H+](CC4CC4)CCN3C2)c1 ZINC000096055155 185076341 /nfs/dbraw/zinc/07/63/41/185076341.db2.gz NJDAHRFTRCEKOQ-NVXWUHKLSA-N 1 0 290.382 2.373 40 0 CEABRO c1coc(C[N@@H+]2CCc3ncnc([C@H]4CCOC4)c3CC2)c1 ZINC000096058628 185078814 /nfs/dbraw/zinc/07/88/14/185078814.db2.gz JKCCSEIPJVVDTP-ZDUSSCGKSA-N 1 0 299.374 2.174 40 0 CEABRO CCOC[C@H]1CC2(CO1)CC[NH+](Cc1ccncc1)CC2 ZINC000096105873 185098849 /nfs/dbraw/zinc/09/88/49/185098849.db2.gz OXVWVQXLNDYFGT-MRXNPFEDSA-N 1 0 290.407 2.489 40 0 CEABRO C[C@H]([NH3+])C(=O)N(Cc1ccc(Cl)cc1)C1CC1 ZINC000037807590 361947281 /nfs/dbraw/zinc/94/72/81/361947281.db2.gz WDLITPPPLCJLSX-VIFPVBQESA-N 1 0 252.745 2.178 40 0 CEABRO C[NH+](C)CC[C@H]1CCCCN1c1ccnc(Cl)n1 ZINC000038579644 361986429 /nfs/dbraw/zinc/98/64/29/361986429.db2.gz QMTXWWPEGYMSFF-LLVKDONJSA-N 1 0 268.792 2.441 40 0 CEABRO CN1C(=O)CCCC[C@H]2[N@H+](CC3CC3)CC[C@]21C ZINC000019695467 343374498 /nfs/dbraw/zinc/37/44/98/343374498.db2.gz DXWHSFPXMSRXIJ-UKRRQHHQSA-N 1 0 250.386 2.262 40 0 CEABRO CC(C)(C)OC(=O)N[C@H]1C[NH2+]C[C@H]1C1CCCC1 ZINC000143474332 344405798 /nfs/dbraw/zinc/40/57/98/344405798.db2.gz BPXYRGXZPFXSFZ-RYUDHWBXSA-N 1 0 254.374 2.289 40 0 CEABRO CCOC(=O)[C@H](CN)[C@@]1([NH+](C)C)C[C@@H]2CC[C@@]1(C)C2(C)C ZINC000216351552 344534855 /nfs/dbraw/zinc/53/48/55/344534855.db2.gz QGGWEHAGQMESEH-PYTWLRIVSA-N 1 0 296.455 2.271 40 0 CEABRO C[NH+]1CCC(NC(=S)Nc2ccc(F)cc2F)CC1 ZINC000013775556 530050524 /nfs/dbraw/zinc/05/05/24/530050524.db2.gz WZFLGOQMYCMKFL-UHFFFAOYSA-N 1 0 285.363 2.345 40 0 CEABRO CC(C)N1CC2(C1)C[C@H](COc1ccccn1)CC[N@@H+]2C ZINC000585103536 345005964 /nfs/dbraw/zinc/00/59/64/345005964.db2.gz XNNLQRPGXNGQML-OAHLLOKOSA-N 1 0 289.423 2.265 40 0 CEABRO O[C@H]1CCC[N@H+](Cc2cc[nH]n2)[C@H]1Cc1ccc(F)cc1 ZINC000585269040 345009407 /nfs/dbraw/zinc/00/94/07/345009407.db2.gz IPUWPBNOLGXLGL-HOTGVXAUSA-N 1 0 289.354 2.117 40 0 CEABRO Cc1ccccc1C[C@@]1(CO)C[N@H+](C(C)C)CCO1 ZINC000585277404 345009765 /nfs/dbraw/zinc/00/97/65/345009765.db2.gz WEGLDXWHDMQFRQ-INIZCTEOSA-N 1 0 263.381 2.009 40 0 CEABRO C[C@@H]1C[NH2+]CCN1Cc1cccc(Br)c1 ZINC000054374140 362533470 /nfs/dbraw/zinc/53/34/70/362533470.db2.gz WPWODVPOLSPOLM-SNVBAGLBSA-N 1 0 269.186 2.243 40 0 CEABRO [NH3+]C1CCN(c2cc(C(F)(F)F)nc(C3CC3)n2)CC1 ZINC000096516960 136520986 /nfs/dbraw/zinc/52/09/86/136520986.db2.gz XUHXBMVCGHYNHT-UHFFFAOYSA-N 1 0 286.301 2.300 40 0 CEABRO Cc1c(-c2noc(CCC[NH3+])n2)c2ccccc2n1C ZINC000085397305 179050182 /nfs/dbraw/zinc/05/01/82/179050182.db2.gz JFSLSWWRJOOCMK-UHFFFAOYSA-N 1 0 270.336 2.428 40 0 CEABRO COCc1cc(CC2([NH2+]C3CCCCC3)COC2)no1 ZINC000067897961 362929989 /nfs/dbraw/zinc/92/99/89/362929989.db2.gz YVPGEYHHDHFBNZ-UHFFFAOYSA-N 1 0 280.368 2.055 40 0 biogenic,in-vitro CEABRO Nc1cccnc1N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000091352097 180137916 /nfs/dbraw/zinc/13/79/16/180137916.db2.gz VCOCTBVOMHSTTI-CQSZACIVSA-N 1 0 268.364 2.350 40 0 CEABRO C[NH+](C)C1CC2(C1)CCN(C(=O)c1cncc(F)c1)CC2 ZINC000108532808 186222057 /nfs/dbraw/zinc/22/20/57/186222057.db2.gz NOVLFEMMVOKHML-UHFFFAOYSA-N 1 0 291.370 2.167 40 0 CEABRO COC(=O)c1ccc(CN2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cc1 ZINC000072324455 363130249 /nfs/dbraw/zinc/13/02/49/363130249.db2.gz XIPUQLOHVWTLQE-XJKSGUPXSA-N 1 0 288.391 2.142 40 0 CEABRO Cc1nc(C2CC[NH2+]CC2)cc(N2CCC(F)(F)CC2)n1 ZINC000072365496 363130757 /nfs/dbraw/zinc/13/07/57/363130757.db2.gz ZJECYUCCGSUPJA-UHFFFAOYSA-N 1 0 296.365 2.488 40 0 CEABRO C[NH+]1CCC(C(=O)NCCSCc2ccccc2)CC1 ZINC000072814954 363168052 /nfs/dbraw/zinc/16/80/52/363168052.db2.gz NMFMAHVXARJYNP-UHFFFAOYSA-N 1 0 292.448 2.378 40 0 CEABRO CCOc1ccc(NC(=O)C2CC[NH+](C)CC2)cc1 ZINC000074713366 363375110 /nfs/dbraw/zinc/37/51/10/363375110.db2.gz GMPQDDLJBPLQEG-UHFFFAOYSA-N 1 0 262.353 2.366 40 0 CEABRO C[NH+]1CCC(CC(=O)Nc2cccc(F)c2)CC1 ZINC000074921051 363418883 /nfs/dbraw/zinc/41/88/83/363418883.db2.gz NYUCQFAZEYWHBD-UHFFFAOYSA-N 1 0 250.317 2.496 40 0 CEABRO OCCN(C[C@H]1CCC[N@@H+]1Cc1ccccc1)C1CC1 ZINC000079393541 363593970 /nfs/dbraw/zinc/59/39/70/363593970.db2.gz HDYFYZOEHXYRNR-QGZVFWFLSA-N 1 0 274.408 2.108 40 0 CEABRO OCCN1CCC[C@H]([N@H+](Cc2ccccc2)C2CC2)C1 ZINC000079414394 363597637 /nfs/dbraw/zinc/59/76/37/363597637.db2.gz JXRXSROUZBNDSX-KRWDZBQOSA-N 1 0 274.408 2.108 40 0 CEABRO O=C(CC[n+]1ccccc1)Nc1ccc(F)cc1F ZINC000001579744 361208814 /nfs/dbraw/zinc/20/88/14/361208814.db2.gz MIWDHUVMDLOTSF-UHFFFAOYSA-O 1 0 263.267 2.281 40 0 CEABRO Cc1ccc(C(C)C)c(OCC(=O)NCC[NH+](C)C)c1 ZINC000003624090 361287072 /nfs/dbraw/zinc/28/70/72/361287072.db2.gz JNNVEPVVCFUXLI-UHFFFAOYSA-N 1 0 278.396 2.175 40 0 CEABRO Cc1cc2cc(CNCCC[NH+](C)C)c(=O)[nH]c2cc1C ZINC000004132833 361301995 /nfs/dbraw/zinc/30/19/95/361301995.db2.gz LTFWUEUGFOTCHO-UHFFFAOYSA-N 1 0 287.407 2.186 40 0 CEABRO Clc1ccc(Cl)c(OC[C@@H]2C[NH2+]CCO2)c1 ZINC000011587463 361359954 /nfs/dbraw/zinc/35/99/54/361359954.db2.gz BTZVNANVWQUSLS-VIFPVBQESA-N 1 0 262.136 2.361 40 0 CEABRO Cc1[nH]c2ccc(C)cc2c1CC(=O)N(C)CC[NH+](C)C ZINC000012238185 361376079 /nfs/dbraw/zinc/37/60/79/361376079.db2.gz IEJYQMGPXXCVBP-UHFFFAOYSA-N 1 0 287.407 2.347 40 0 CEABRO O=C(CSc1ccccc1)NCCC[NH+]1CCCC1 ZINC000013648930 361435269 /nfs/dbraw/zinc/43/52/69/361435269.db2.gz CXVYYSULKIYKDS-UHFFFAOYSA-N 1 0 278.421 2.381 40 0 CEABRO COc1ccc2cc(C[NH2+]CC3CC3)c(=O)[nH]c2c1 ZINC000013998487 361446511 /nfs/dbraw/zinc/44/65/11/361446511.db2.gz GFFWYRDMABBBDC-UHFFFAOYSA-N 1 0 258.321 2.036 40 0 CEABRO [NH3+][C@H](Cc1cc(=O)[nH]c(C2CCC2)n1)c1ccccc1 ZINC000019369297 361528434 /nfs/dbraw/zinc/52/84/34/361528434.db2.gz UBRNPMWDPHURMX-CQSZACIVSA-N 1 0 269.348 2.280 40 0 CEABRO c1[nH]c2ccccc2c1[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000019366073 361528703 /nfs/dbraw/zinc/52/87/03/361528703.db2.gz JMFQVIVSVILMKK-HNNXBMFYSA-N 1 0 299.418 2.289 40 0 in-vitro CEABRO Cc1cc(=O)[nH]c([C@H]2CC[N@H+](Cc3ccccc3F)C2)n1 ZINC000019118481 361519385 /nfs/dbraw/zinc/51/93/85/361519385.db2.gz XPDDWESROHOWLD-ZDUSSCGKSA-N 1 0 287.338 2.207 40 0 CEABRO COc1ccc(CN2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c(OC)c1 ZINC000019575762 361543061 /nfs/dbraw/zinc/54/30/61/361543061.db2.gz FADZAKJCSKJSIQ-DZGCQCFKSA-N 1 0 290.407 2.372 40 0 CEABRO COc1cccc(OC[C@H](O)C[NH2+]Cc2ccccc2)c1 ZINC000032139958 361731550 /nfs/dbraw/zinc/73/15/50/361731550.db2.gz PGMSLVAJQOSOTG-OAHLLOKOSA-N 1 0 287.359 2.225 40 0 CEABRO O=c1ccc2c(n1CC1CC1)CC[C@H]([NH2+]Cc1ccoc1)C2 ZINC000096189729 364407016 /nfs/dbraw/zinc/40/70/16/364407016.db2.gz FBDLZETXLQLGTF-INIZCTEOSA-N 1 0 298.386 2.498 40 0 CEABRO O[C@@H]1CC[N@H+](CC2CCOCC2)[C@H]1Cc1ccccc1 ZINC000096200040 364408991 /nfs/dbraw/zinc/40/89/91/364408991.db2.gz GUUZJJLCXBFHHS-DLBZAZTESA-N 1 0 275.392 2.091 40 0 CEABRO CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccccc1 ZINC000096186201 364407580 /nfs/dbraw/zinc/40/75/80/364407580.db2.gz TVWPAEXQDVQYSX-HUUCEWRRSA-N 1 0 258.365 2.272 40 0 CEABRO c1cc(C[N@@H+]2CCc3ncnc([C@H]4CCOC4)c3CC2)co1 ZINC000096058632 364400182 /nfs/dbraw/zinc/40/01/82/364400182.db2.gz DHSHRMIYPQPIPT-AWEZNQCLSA-N 1 0 299.374 2.174 40 0 CEABRO Cc1noc([C@H]2CO[C@@H]3C[N@H+](Cc4cccs4)C[C@H]23)n1 ZINC000096218989 364412604 /nfs/dbraw/zinc/41/26/04/364412604.db2.gz NOTDNTRBGMEXID-FRRDWIJNSA-N 1 0 291.376 2.054 40 0 CEABRO COCC[NH+]1CCC2(C[C@@H](c3cccnc3)CO2)CC1 ZINC000096220287 364414249 /nfs/dbraw/zinc/41/42/49/364414249.db2.gz GLLDGHBACMAJJJ-OAHLLOKOSA-N 1 0 276.380 2.067 40 0 CEABRO CC(C)CN1c2ccccc2[C@]2(CC[N@H+](C)C2)C1=O ZINC000096244819 364415857 /nfs/dbraw/zinc/41/58/57/364415857.db2.gz AJZUFCQOSPEPBC-MRXNPFEDSA-N 1 0 258.365 2.263 40 0 CEABRO [NH3+]Cc1cn(Cc2ccccc2C(F)(F)F)cn1 ZINC000098213994 364538159 /nfs/dbraw/zinc/53/81/59/364538159.db2.gz UKPYNOQTLJQFJZ-UHFFFAOYSA-N 1 0 255.243 2.409 40 0 CEABRO C[N@@H+]1CCC[C@]12CCCN(C(=O)c1ccncc1)CC2 ZINC000585100141 367177826 /nfs/dbraw/zinc/17/78/26/367177826.db2.gz GRMJMJMBNWDUNP-MRXNPFEDSA-N 1 0 273.380 2.172 40 0 CEABRO CCN(C(=O)OC(C)(C)C)[C@H]1CCCC[C@H]1[NH2+]CCO ZINC000079408057 284193945 /nfs/dbraw/zinc/19/39/45/284193945.db2.gz ASXWETUXLKEGQI-OLZOCXBDSA-N 1 0 286.416 2.137 40 0 CEABRO CCO[C@H]1C[C@@H]([NH2+][C@@H](C(N)=O)c2ccccc2)C1(C)C ZINC000195530617 370137188 /nfs/dbraw/zinc/13/71/88/370137188.db2.gz RTSJYORZFRGZHV-HZSPNIEDSA-N 1 0 276.380 2.006 40 0 CEABRO Cc1ccc(S(=O)(=O)[C@@H]2[C@H]([NH3+])[C@@H]2c2ccccc2)cc1 ZINC000218052790 370203801 /nfs/dbraw/zinc/20/38/01/370203801.db2.gz JHMTZCUCRRKLTK-XHSDSOJGSA-N 1 0 287.384 2.262 40 0 CEABRO CC1CC[NH+](CCCNC(=S)Nc2ccncc2)CC1 ZINC000225438092 370293757 /nfs/dbraw/zinc/29/37/57/370293757.db2.gz RNWRWZQFINIZCS-UHFFFAOYSA-N 1 0 292.452 2.490 40 0 CEABRO O=C1[C@@H]2C[N@H+](Cc3ccccn3)C[C@H]2CN1c1ccccc1 ZINC000247704311 371136418 /nfs/dbraw/zinc/13/64/18/371136418.db2.gz CEDUHCXFNALMTE-WMLDXEAASA-N 1 0 293.370 2.176 40 0 CEABRO Cc1nccc(N2CCO[C@@H](Cc3ccccc3)C2)n1 ZINC000257205684 371610219 /nfs/dbraw/zinc/61/02/19/371610219.db2.gz BADCXEQCYXJWIF-HNNXBMFYSA-N 1 0 269.348 2.233 40 0 CEABRO CCn1cc(C[N@H+](C)[C@@H]2CCCN(c3ccccn3)C2)cn1 ZINC000257296172 371610346 /nfs/dbraw/zinc/61/03/46/371610346.db2.gz RBNCOCAIPHLJBB-MRXNPFEDSA-N 1 0 299.422 2.399 40 0 CEABRO Cc1cncc([C@@H]2CCCN(c3ccnc(C)n3)C2)n1 ZINC000257321605 371612591 /nfs/dbraw/zinc/61/25/91/371612591.db2.gz WCIPSHBDLDEWEO-CYBMUJFWSA-N 1 0 269.352 2.267 40 0 CEABRO Cc1cn(C)c([C@H]2CCCN(C(=O)c3cscn3)C2)n1 ZINC000257312664 371612622 /nfs/dbraw/zinc/61/26/22/371612622.db2.gz UPAHBIAXWZBBMF-NSHDSACASA-N 1 0 290.392 2.205 40 0 CEABRO Cn1cccc1C[NH2+]Cc1ccnn1CC(F)(F)F ZINC000256049694 190002708 /nfs/dbraw/zinc/00/27/08/190002708.db2.gz BAAWPCWHHOTLOA-UHFFFAOYSA-N 1 0 272.274 2.074 40 0 CEABRO CCn1cc(C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)c(C)n1 ZINC000257213471 190013544 /nfs/dbraw/zinc/01/35/44/190013544.db2.gz CHSKOOHPETVVGI-CYBMUJFWSA-N 1 0 273.384 2.314 40 0 CEABRO Cc1cn(C)c([C@@H]2CCC[N@@H+](C3CCN(C)CC3)C2)n1 ZINC000257232445 190017183 /nfs/dbraw/zinc/01/71/83/190017183.db2.gz GKWMCHURAVLAPX-CQSZACIVSA-N 1 0 276.428 2.002 40 0 CEABRO COc1cccc(C[N@@H+]2CC[C@H](c3cc[nH]n3)C2)c1OC ZINC000257238493 190017560 /nfs/dbraw/zinc/01/75/60/190017560.db2.gz HLFHISNGBQCFRY-LBPRGKRZSA-N 1 0 287.363 2.416 40 0 CEABRO CC(=O)N1C[C@H](c2ccc(F)cc2)[C@@H]2[C@H]1CCC[N@H+]2C ZINC000257254627 190020460 /nfs/dbraw/zinc/02/04/60/190020460.db2.gz KEADVBYDPMDLQE-BZUAXINKSA-N 1 0 276.355 2.234 40 0 CEABRO CCCn1ccc(C(=O)N2CCC[C@H]3[NH2+]CCCC[C@@H]32)n1 ZINC000257266586 190022934 /nfs/dbraw/zinc/02/29/34/190022934.db2.gz MDQJHZGYVKVTBD-HIFRSBDPSA-N 1 0 290.411 2.040 40 0 CEABRO Cc1nn(C)c(C)c1-c1nccnc1CC1CC[NH2+]CC1 ZINC000257258860 190021905 /nfs/dbraw/zinc/02/19/05/190021905.db2.gz KVUSUWHSTRCMCY-UHFFFAOYSA-N 1 0 285.395 2.036 40 0 CEABRO Cc1noc(C)c1-c1cccc([C@@H]2C[NH2+]CCO2)n1 ZINC000257260723 190022558 /nfs/dbraw/zinc/02/25/58/190022558.db2.gz LEAPUTHVWGYZBF-ZDUSSCGKSA-N 1 0 259.309 2.014 40 0 CEABRO CC(C)[N@@H+]1CC[C@@H](Cc2cnc(-c3cn[nH]c3)cn2)C1 ZINC000257316070 190032432 /nfs/dbraw/zinc/03/24/32/190032432.db2.gz VDZKZQCRFIQBFP-LBPRGKRZSA-N 1 0 271.368 2.140 40 0 CEABRO C[N@H+]1[C@H](c2ccccc2)C[C@H]2NC(=O)CCCC[C@@H]21 ZINC000257315954 190032675 /nfs/dbraw/zinc/03/26/75/190032675.db2.gz VDLUOGSNGSFKDM-ILXRZTDVSA-N 1 0 258.365 2.491 40 0 CEABRO CC(=O)N1CC2(C[C@]1(C)CO)CC[NH+](C1CCCC1)CC2 ZINC000257340011 190036759 /nfs/dbraw/zinc/03/67/59/190036759.db2.gz ZECZMBPZZLMJJD-MRXNPFEDSA-N 1 0 294.439 2.014 40 0 CEABRO Cc1nc(-c2ccnn2C)cc([C@@H]2CCCC[NH2+]2)n1 ZINC000257341442 190037367 /nfs/dbraw/zinc/03/73/67/190037367.db2.gz ZKIUKIHBNXSSTH-NSHDSACASA-N 1 0 257.341 2.000 40 0 CEABRO C[N@@H+]1CC[C@]2(c3ccccc3)CCN(C(=O)NC3CC3)C[C@@H]12 ZINC000306140032 376539905 /nfs/dbraw/zinc/53/99/05/376539905.db2.gz UHTREDXJIPCEJL-SJLPKXTDSA-N 1 0 299.418 2.206 40 0 CEABRO O=S1(=O)c2ccc(-c3ccsc3)cc2[C@@H]2C[NH2+]C[C@H]21 ZINC000306143097 285074723 /nfs/dbraw/zinc/07/47/23/285074723.db2.gz XTHKFOQQZHVBNJ-GXTWGEPZSA-N 1 0 291.397 2.258 40 0 CEABRO CC(C)(C)OC(=O)N[C@@H]1C[NH2+]CC[C@H]1C(F)(F)F ZINC000217681945 394455517 /nfs/dbraw/zinc/45/55/17/394455517.db2.gz YKEJWMDJHSNPAU-HTQZYQBOSA-N 1 0 268.279 2.052 40 0 CEABRO CCOC(=O)[C@H]([C@@H](C)[NH+]1CCCCC1)N1CCCCC1 ZINC000019366257 394468208 /nfs/dbraw/zinc/46/82/08/394468208.db2.gz IRUSQNAIDMLKBQ-CABCVRRESA-N 1 0 282.428 2.278 40 0 CEABRO COc1ccc2c(c1)CCN1[C@H]3CCC[N@H+]3CC[C@H]21 ZINC000019326983 394468680 /nfs/dbraw/zinc/46/86/80/394468680.db2.gz XDZYAXIEADIXLB-CVEARBPZSA-N 1 0 258.365 2.420 40 0 CEABRO Cc1cncc([C@H]2CCCN(c3ccnc(C)n3)C2)n1 ZINC000257321606 394595520 /nfs/dbraw/zinc/59/55/20/394595520.db2.gz WCIPSHBDLDEWEO-ZDUSSCGKSA-N 1 0 269.352 2.267 40 0 CEABRO Cc1cc(-c2cc(C)nc([C@H]3CCCC[NH2+]3)n2)n[nH]1 ZINC000257271203 394595663 /nfs/dbraw/zinc/59/56/63/394595663.db2.gz MXHUWGNGIUKFNF-LLVKDONJSA-N 1 0 257.341 2.298 40 0 CEABRO Fc1ccc(-c2ccc3nnc([C@@H]4CCC[NH2+]4)n3n2)cc1 ZINC000096530151 394698494 /nfs/dbraw/zinc/69/84/94/394698494.db2.gz BIGHEBJOYZMDHX-ZDUSSCGKSA-N 1 0 283.310 2.355 40 0 CEABRO CCC(=O)Nc1nnc(SCC[NH+]2CCCC2)s1 ZINC000006674197 170225372 /nfs/dbraw/zinc/22/53/72/170225372.db2.gz CAYOJXVLDONJNX-UHFFFAOYSA-N 1 0 286.426 2.075 40 0 CEABRO CCCCOC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000008844776 170357471 /nfs/dbraw/zinc/35/74/71/170357471.db2.gz OEEALKPMNGSFLR-INIZCTEOSA-N 1 0 263.381 2.222 40 0 CEABRO CCOc1cc(C=O)ccc1OCC[NH+]1CCCC1 ZINC000009237714 170367830 /nfs/dbraw/zinc/36/78/30/170367830.db2.gz NGVYXYXZIJXTCT-UHFFFAOYSA-N 1 0 263.337 2.372 40 0 CEABRO C[C@@H]1CN([C@H](C[NH3+])c2cccc(Cl)c2)C[C@H](C)O1 ZINC000022222158 171378727 /nfs/dbraw/zinc/37/87/27/171378727.db2.gz NLAGDHOLDUBGQI-UHIISALHSA-N 1 0 268.788 2.449 40 0 CEABRO COc1cc(OC)c([C@H](C[NH3+])N2CCCCC2)c(OC)c1 ZINC000037376736 173165664 /nfs/dbraw/zinc/16/56/64/173165664.db2.gz ULBYACIGLSGVRC-ZDUSSCGKSA-N 1 0 294.395 2.198 40 0 CEABRO O=C(C[NH2+]C1CC1)Nc1cccc(C(F)(F)F)c1 ZINC000037386644 173170383 /nfs/dbraw/zinc/17/03/83/173170383.db2.gz JVHPPXWVPCDXSY-UHFFFAOYSA-N 1 0 258.243 2.396 40 0 CEABRO CCCC[C@H]1CN(Cc2cccc(C(=O)OC)c2)CC[NH2+]1 ZINC000039952523 174176814 /nfs/dbraw/zinc/17/68/14/174176814.db2.gz VUHRSSAVRRUACW-INIZCTEOSA-N 1 0 290.407 2.437 40 0 CEABRO C[C@@H]1C[NH2+]CCN1Cc1ccc(Br)cc1F ZINC000054373872 175559274 /nfs/dbraw/zinc/55/92/74/175559274.db2.gz ZUWGEHXRRAUQLX-SECBINFHSA-N 1 0 287.176 2.382 40 0 CEABRO Cc1cc(C)c2cc(C)c3nn(CC[NH+](C)C)c(=O)n3c2c1 ZINC000072346876 176372985 /nfs/dbraw/zinc/37/29/85/176372985.db2.gz ZGQNKGRYDNOJDD-UHFFFAOYSA-N 1 0 298.390 2.136 40 0 CEABRO Cc1c(C[NH+]2CCC(C)(c3cc[nH]n3)CC2)cnn1C ZINC000072385653 176390620 /nfs/dbraw/zinc/39/06/20/176390620.db2.gz ADZPJBFOEIJNCV-UHFFFAOYSA-N 1 0 273.384 2.005 40 0 CEABRO Cc1nc(NCc2ccccc2)nc2c1C[N@H+](C)CC2 ZINC000072415031 176399860 /nfs/dbraw/zinc/39/98/60/176399860.db2.gz ZOAWDYWSOAQONP-UHFFFAOYSA-N 1 0 268.364 2.385 40 0 CEABRO C[N@@H+]1CCC[C@H]1c1ccnc(C(=O)Nc2ccon2)c1 ZINC000257309078 277082765 /nfs/dbraw/zinc/08/27/65/277082765.db2.gz TZLDJEFWPNPTJM-LBPRGKRZSA-N 1 0 272.308 2.089 40 0 CEABRO CC[NH+](CC)CCCNCc1cnn(C)c1C(F)(F)F ZINC000256050784 279099728 /nfs/dbraw/zinc/09/97/28/279099728.db2.gz GMRSKFWHOJLHBE-UHFFFAOYSA-N 1 0 292.349 2.260 40 0 CEABRO O=C1CCC2(CC[NH+](C[C@@H]3CC=CCC3)CC2)CN1 ZINC000108526520 280250116 /nfs/dbraw/zinc/25/01/16/280250116.db2.gz NVHNGEDMGMKZSG-CQSZACIVSA-N 1 0 262.397 2.335 40 0 CEABRO Cc1n[n+]([C@H]2C[C@@H](C)CC[C@@H]2C(C)C)c(C)n1N ZINC000005712546 302464605 /nfs/dbraw/zinc/46/46/05/302464605.db2.gz QGFPTKRBRCLMCN-GDLCADMTSA-N 1 0 251.398 2.135 40 0 CEABRO c1ccc(C[NH+]2C[C@H]3CN(c4cccnn4)C[C@@H]3C2)cc1 ZINC000306842004 333010415 /nfs/dbraw/zinc/01/04/15/333010415.db2.gz AZECRCPBZLVCQL-HOTGVXAUSA-N 1 0 280.375 2.045 40 0 CEABRO C[NH2+]C[C@H](OC(C)C)c1ccc(OC)c(OC)c1 ZINC000062711665 522075810 /nfs/dbraw/zinc/07/58/10/522075810.db2.gz OXHPZDGYEABFAI-AWEZNQCLSA-N 1 0 253.342 2.389 40 0 CEABRO [NH3+]C[C@]1(CO)C[C@H]1c1ccccc1OC(F)(F)F ZINC000062713725 527241967 /nfs/dbraw/zinc/24/19/67/527241967.db2.gz YQYCYENBNBYWOS-ONGXEEELSA-N 1 0 261.243 2.010 40 0 CEABRO CCOC(=O)N1CCC(Cc2ccccc2)([NH2+]C)CC1 ZINC000095869948 185030313 /nfs/dbraw/zinc/03/03/13/185030313.db2.gz RORJSKRCVVAYET-UHFFFAOYSA-N 1 0 276.380 2.440 40 0 CEABRO Cn1cc(CN2CC[C@]3(C2)CCC[N@H+](CC2CC2)C3)cn1 ZINC000096046934 185072480 /nfs/dbraw/zinc/07/24/80/185072480.db2.gz MGCGQGONTAEEHU-QGZVFWFLSA-N 1 0 288.439 2.118 40 0 CEABRO CN1CCOCC12CC[NH+](Cc1ccsc1)CC2 ZINC000096048901 185072898 /nfs/dbraw/zinc/07/28/98/185072898.db2.gz IDHDLJOQRAAWJP-UHFFFAOYSA-N 1 0 266.410 2.045 40 0 CEABRO c1ccc(C[NH+]2C[C@@H]3CN(Cc4cccnc4)C[C@H]3C2)nc1 ZINC000096053740 185074044 /nfs/dbraw/zinc/07/40/44/185074044.db2.gz KKKJJFQEUFFWDH-IRXDYDNUSA-N 1 0 294.402 2.040 40 0 CEABRO COC[C@]12CCCO[C@H]1CC[N@H+](Cc1cccnc1)C2 ZINC000096056726 185078020 /nfs/dbraw/zinc/07/80/20/185078020.db2.gz MUKJZWFPHMTUTQ-JKSUJKDBSA-N 1 0 276.380 2.099 40 0 CEABRO c1cncc(O[C@H]2CO[C@]3(CC[N@@H+](CC4CCC4)C3)C2)c1 ZINC000096072450 185088557 /nfs/dbraw/zinc/08/85/57/185088557.db2.gz LVHJIQZLIHSNQM-IAGOWNOFSA-N 1 0 288.391 2.494 40 0 CEABRO CC(C)[C@H]([NH3+])C(=O)N(C)Cc1ccc(Br)cc1 ZINC000037798576 361941851 /nfs/dbraw/zinc/94/18/51/361941851.db2.gz BVUZEYZGZJACCX-LBPRGKRZSA-N 1 0 299.212 2.391 40 0 CEABRO [NH3+][C@@H]1CCN(CC(=O)c2ccc(Cl)cc2Cl)C1 ZINC000050242380 343543056 /nfs/dbraw/zinc/54/30/56/343543056.db2.gz FZTLWUOEBDPYGT-SECBINFHSA-N 1 0 273.163 2.209 40 0 CEABRO C[NH+](C)C/C=C/C(=O)N1CCC2(CC1)CCC(C)(C)OC2 ZINC000585289388 345010487 /nfs/dbraw/zinc/01/04/87/345010487.db2.gz IWVPBVDDFODJSB-AATRIKPKSA-N 1 0 294.439 2.302 40 0 CEABRO C[C@@H]1C[NH2+]CCN1C(=O)c1cccc2ccccc21 ZINC000054369849 362532032 /nfs/dbraw/zinc/53/20/32/362532032.db2.gz HBCNALGUZITGTQ-GFCCVEGCSA-N 1 0 254.333 2.274 40 0 CEABRO c1csc(CN2CC[NH2+]C[C@H]2c2ccccc2)n1 ZINC000086177433 179246595 /nfs/dbraw/zinc/24/65/95/179246595.db2.gz XQPAGIKNEWCQKH-ZDUSSCGKSA-N 1 0 259.378 2.290 40 0 CEABRO Cc1ccc(CN2C[C@@H]3C[N@H+]([C@@H]4CCOC4)C[C@@H]3C2)cc1 ZINC000107196342 186162427 /nfs/dbraw/zinc/16/24/27/186162427.db2.gz MFMWQNLJODQSEO-FGTMMUONSA-N 1 0 286.419 2.148 40 0 CEABRO C[C@@H]1CN([C@H](C[NH3+])c2cc(F)ccc2F)C[C@H](C)O1 ZINC000108350260 186212394 /nfs/dbraw/zinc/21/23/94/186212394.db2.gz AOEFDDJIKRFNLE-ISTVAULSSA-N 1 0 270.323 2.074 40 0 CEABRO O=C1NCC[C@]12CCC[N@H+](Cc1cccs1)CC2 ZINC000108530422 186222734 /nfs/dbraw/zinc/22/27/34/186222734.db2.gz CRCXRIMXKQWMDM-AWEZNQCLSA-N 1 0 264.394 2.240 40 0 CEABRO O=C1N(C2CCCCC2)C[C@H]2C[N@@H+](C3CCC3)CCN12 ZINC000077266870 363546493 /nfs/dbraw/zinc/54/64/93/363546493.db2.gz XMZAXWSEPOPAMD-OAHLLOKOSA-N 1 0 277.412 2.293 40 0 biogenic,in-vitro CEABRO CN1c2cccnc2C[N@H+](C2CCCC2)CC[C@H]1CO ZINC000225496049 283267584 /nfs/dbraw/zinc/26/75/84/283267584.db2.gz AZOQNDLDAAABDG-AWEZNQCLSA-N 1 0 275.396 2.027 40 0 biogenic,in-vitro CEABRO COc1ccc(CN(C(=O)[C@@H]([NH3+])C(C)C)C(C)C)cc1 ZINC000079420416 363599314 /nfs/dbraw/zinc/59/93/14/363599314.db2.gz UADGBIPOCIUEDK-HNNXBMFYSA-N 1 0 278.396 2.416 40 0 CEABRO CCN(Cc1cccc(Br)c1)C(=O)[C@H](C)[NH3+] ZINC000079420547 363599392 /nfs/dbraw/zinc/59/93/92/363599392.db2.gz WXWQRXPCWXWROQ-VIFPVBQESA-N 1 0 285.185 2.145 40 0 CEABRO CC(C)(C)OC(=O)N(C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000079437704 363600207 /nfs/dbraw/zinc/60/02/07/363600207.db2.gz SBYXLQWQXPNJGM-LLVKDONJSA-N 1 0 254.374 2.386 40 0 CEABRO CCc1[nH+]c(N)nc(N)c1-c1ccc(Cl)c(N)c1 ZINC000001572284 361208931 /nfs/dbraw/zinc/20/89/31/361208931.db2.gz FBAZXCGPKSJTCE-UHFFFAOYSA-N 1 0 263.732 2.106 40 0 CEABRO CC[NH+](CC)CCOC(=O)c1cc(Cl)cc(N)c1O ZINC000001671423 361215847 /nfs/dbraw/zinc/21/58/47/361215847.db2.gz SJHNKYBARPBUBK-UHFFFAOYSA-N 1 0 286.759 2.126 40 0 CEABRO COc1cc(OC)cc([C@H](O)[C@H](C)[NH2+]C(C)C)c1 ZINC000001678261 361216359 /nfs/dbraw/zinc/21/63/59/361216359.db2.gz CMSDSKGZGXRVGT-IINYFYTJSA-N 1 0 253.342 2.124 40 0 CEABRO OCC[C@H](c1ccc2c(c1)OCO2)[NH+]1CCCCC1 ZINC000001698270 361216743 /nfs/dbraw/zinc/21/67/43/361216743.db2.gz TUDVXGNOHPTXJN-CYBMUJFWSA-N 1 0 263.337 2.325 40 0 CEABRO CC(=O)c1cccc(NC(=O)[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000082333252 363766570 /nfs/dbraw/zinc/76/65/70/363766570.db2.gz PZIFUDLUTOHULH-CYBMUJFWSA-N 1 0 260.337 2.170 40 0 CEABRO Cc1cc(=O)[nH]c(NC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000012113709 361372957 /nfs/dbraw/zinc/37/29/57/361372957.db2.gz DVTMQGJIWZXHRU-UHFFFAOYSA-N 1 0 298.390 2.155 40 0 CEABRO Cc1sc2nc(C)n(C3CC[NH2+]CC3)c(=O)c2c1C ZINC000012145408 361374261 /nfs/dbraw/zinc/37/42/61/361374261.db2.gz WVZCVGWGLSLYJV-UHFFFAOYSA-N 1 0 277.393 2.308 40 0 CEABRO CCn1cc(C[N@@H+]2CCC[C@@H](c3cnccn3)C2)cn1 ZINC000012252724 361375213 /nfs/dbraw/zinc/37/52/13/361375213.db2.gz HVVXFSAWJWYWQD-CQSZACIVSA-N 1 0 271.368 2.073 40 0 CEABRO CN(C)c1nc(=[N+](C)c2ccccc2)ss1 ZINC000016953024 361500123 /nfs/dbraw/zinc/50/01/23/361500123.db2.gz RZVHRPQSGAVLGA-UHFFFAOYSA-N 1 0 252.388 2.004 40 0 CEABRO CC[C@@H](C)[NH+]1CCC(N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000019888880 361564185 /nfs/dbraw/zinc/56/41/85/361564185.db2.gz ZIGZSNQDEOYGCI-RDBSUJKOSA-N 1 0 254.418 2.359 40 0 CEABRO COc1ccc(OC)c(CN2C[C@@H]3CCC[N@@H+]3C[C@H]2C)c1 ZINC000019575080 361542969 /nfs/dbraw/zinc/54/29/69/361542969.db2.gz VSJROCKNJFVGFJ-HIFRSBDPSA-N 1 0 290.407 2.372 40 0 CEABRO Cc1nnsc1C(=O)NC(C)(C)C[NH+]1CCCCCC1 ZINC000019563553 361543254 /nfs/dbraw/zinc/54/32/54/361543254.db2.gz CPUKFWVDZHGVCT-UHFFFAOYSA-N 1 0 296.440 2.231 40 0 CEABRO Cc1c(CN(CC[NH+](C)C)Cc2cccs2)cnn1C ZINC000023247850 361596521 /nfs/dbraw/zinc/59/65/21/361596521.db2.gz UDOGJQJPKSVHMS-UHFFFAOYSA-N 1 0 292.452 2.354 40 0 CEABRO Cc1cccc(OC[C@@H](O)C[NH2+]CC(C)C)c1C ZINC000026780454 361644825 /nfs/dbraw/zinc/64/48/25/361644825.db2.gz NUQKPXGRCAFEKE-AWEZNQCLSA-N 1 0 251.370 2.289 40 0 CEABRO COc1ccc(OC[C@H](O)C[NH2+]Cc2ccccc2)cc1 ZINC000026896778 361646691 /nfs/dbraw/zinc/64/66/91/361646691.db2.gz URVZVBJFESVFCG-OAHLLOKOSA-N 1 0 287.359 2.225 40 0 CEABRO C[N@H+](Cc1cccs1)[C@H]1CCC[C@@H]2CN(C(N)=O)C[C@@H]21 ZINC000096183128 364407397 /nfs/dbraw/zinc/40/73/97/364407397.db2.gz UERJJLIMCJTDDG-XBFCOCLRSA-N 1 0 293.436 2.359 40 0 CEABRO CC(C)C[N@@H+]1CC[C@@]2(CCN(Cc3ccccn3)C2=O)C1 ZINC000096159487 364403560 /nfs/dbraw/zinc/40/35/60/364403560.db2.gz BABSSZUTTLNUPW-QGZVFWFLSA-N 1 0 287.407 2.162 40 0 CEABRO Cc1ccc(C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3C(C)C)cc1 ZINC000096248681 364417132 /nfs/dbraw/zinc/41/71/32/364417132.db2.gz GEXFPRQFOCPIDD-SJORKVTESA-N 1 0 274.408 2.288 40 0 CEABRO CC(=O)N1CCC12CC[NH+](Cc1ccsc1)CC2 ZINC000096239455 364417207 /nfs/dbraw/zinc/41/72/07/364417207.db2.gz PXZYDKRNJUFQGG-UHFFFAOYSA-N 1 0 264.394 2.335 40 0 CEABRO [NH3+]C1CCN(c2cc(C3CC3)nc(C3CC3)n2)CC1 ZINC000096516964 364426026 /nfs/dbraw/zinc/42/60/26/364426026.db2.gz VCVMFQMPSGUIGS-UHFFFAOYSA-N 1 0 258.369 2.159 40 0 CEABRO CC[C@@H](Oc1ccccc1F)C(=O)NC1CC[NH+](C)CC1 ZINC000113960383 364919404 /nfs/dbraw/zinc/91/94/04/364919404.db2.gz KXILEJANXDNGGH-CQSZACIVSA-N 1 0 294.370 2.194 40 0 CEABRO CCC[C@@H](C)[N@@H+]1CCC[C@]2(CN(c3ncccn3)C2=O)C1 ZINC000585099697 367177337 /nfs/dbraw/zinc/17/73/37/367177337.db2.gz YMCUZPKWOHVKKM-CZUORRHYSA-N 1 0 288.395 2.094 40 0 CEABRO C[C@]1([NH3+])CN(Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000253380214 371511805 /nfs/dbraw/zinc/51/18/05/371511805.db2.gz GLKCPTSZDCRGOB-NEPJUHHUSA-N 1 0 258.287 2.398 40 0 CEABRO c1csc(CN2CC[N@@H+]3C[C@@H](OCC4CC4)C[C@H]3C2)c1 ZINC000253588671 371529957 /nfs/dbraw/zinc/52/99/57/371529957.db2.gz NRAXYOAGABLPCC-GJZGRUSLSA-N 1 0 292.448 2.433 40 0 CEABRO Cc1nn(C(C)C)cc1C[NH2+]Cc1ccnn1CCF ZINC000256053366 190004789 /nfs/dbraw/zinc/00/47/89/190004789.db2.gz RDRFJTAUNVHXRA-UHFFFAOYSA-N 1 0 279.363 2.228 40 0 CEABRO CCn1ccc(C[NH2+]CCc2cccc(OC)c2)n1 ZINC000256055142 190005666 /nfs/dbraw/zinc/00/56/66/190005666.db2.gz ZIUHJHQRJFXTQP-UHFFFAOYSA-N 1 0 259.353 2.244 40 0 CEABRO Cc1cccc(C[N@@H+]2C[C@@H](O)[C@H](Oc3ccccc3)C2)n1 ZINC000257200123 190011047 /nfs/dbraw/zinc/01/10/47/190011047.db2.gz ACCLYKMPMCTHNR-IAGOWNOFSA-N 1 0 284.359 2.014 40 0 CEABRO CC(C)n1nccc1-c1cncc(C[C@@H]2CCC[NH2+]C2)n1 ZINC000257210127 190012515 /nfs/dbraw/zinc/01/25/15/190012515.db2.gz BTGXOJUKICIZBF-ZDUSSCGKSA-N 1 0 285.395 2.463 40 0 CEABRO O=C(CC1CCCC1)N[C@@H]1CCC[C@@H]([NH+]2CCCC2)[C@@H]1O ZINC000257238633 190017838 /nfs/dbraw/zinc/01/78/38/190017838.db2.gz HLWGOQNMNHVZFN-BFYDXBDKSA-N 1 0 294.439 2.061 40 0 CEABRO CC(=O)N1CCC[C@H]2[N@H+](Cc3cccnc3)CCC[C@@]21C ZINC000257247345 190019559 /nfs/dbraw/zinc/01/95/59/190019559.db2.gz IYOMIUFTIZUEOD-SJORKVTESA-N 1 0 287.407 2.447 40 0 CEABRO CCOc1ccc(C[N@@H+]2CC[C@@]3(CCCO3)[C@@H](O)C2)cc1 ZINC000257250098 190019803 /nfs/dbraw/zinc/01/98/03/190019803.db2.gz JLAPQXRBFSIJNC-IRXDYDNUSA-N 1 0 291.391 2.201 40 0 CEABRO Cc1cc(-c2ccnn2C)nc([C@H]2CCCC[NH2+]2)n1 ZINC000257249104 190020341 /nfs/dbraw/zinc/02/03/41/190020341.db2.gz JGVOFZUOTVQZRF-LLVKDONJSA-N 1 0 257.341 2.000 40 0 CEABRO Cc1cn(C)c([C@@H]2CC[N@H+](Cc3scnc3C)C2)n1 ZINC000257273528 190024575 /nfs/dbraw/zinc/02/45/75/190024575.db2.gz NGZGKIRIMXBYGV-GFCCVEGCSA-N 1 0 276.409 2.483 40 0 CEABRO CCn1nccc1-c1cc(C)nc([C@H]2CC[NH2+]C2)c1 ZINC000257314169 190031696 /nfs/dbraw/zinc/03/16/96/190031696.db2.gz UVPGQWSLZPUUQP-LBPRGKRZSA-N 1 0 256.353 2.350 40 0 CEABRO Cc1ccnc([C@@H]2CC[N@H+](Cc3ccccn3)C2)n1 ZINC000257299908 190029130 /nfs/dbraw/zinc/02/91/30/190029130.db2.gz RSDLFLKZDBCAMS-CYBMUJFWSA-N 1 0 254.337 2.170 40 0 CEABRO Cc1ccnc([C@H]2CC[N@H+](Cc3ccccn3)C2)n1 ZINC000257299909 190029716 /nfs/dbraw/zinc/02/97/16/190029716.db2.gz RSDLFLKZDBCAMS-ZDUSSCGKSA-N 1 0 254.337 2.170 40 0 CEABRO Cc1nc(N)sc1-c1cncc([C@H]2CCC[N@@H+](C)C2)n1 ZINC000257327226 190034875 /nfs/dbraw/zinc/03/48/75/190034875.db2.gz XAOFQNFTSRRGKC-JTQLQIEISA-N 1 0 289.408 2.300 40 0 CEABRO CCn1nccc1-c1cc(C2CC[NH2+]CC2)ccn1 ZINC000257327459 190035050 /nfs/dbraw/zinc/03/50/50/190035050.db2.gz XBKYKISFKPBWRB-UHFFFAOYSA-N 1 0 256.353 2.432 40 0 CEABRO C[C@H]([NH2+]C[C@H](O)CC1CCCC1)c1cnn(C)c1 ZINC000332306094 377563566 /nfs/dbraw/zinc/56/35/66/377563566.db2.gz JLIHSZZEZPONLG-SMDDNHRTSA-N 1 0 251.374 2.012 40 0 CEABRO O=C(C1CC1)N1CC2(CC[NH2+]CC2)c2cc(F)ccc21 ZINC000096161037 256813265 /nfs/dbraw/zinc/81/32/65/256813265.db2.gz GQMABSOVFMADNR-UHFFFAOYSA-N 1 0 274.339 2.204 40 0 CEABRO Cc1nc(N2CCOCC2)ccc1[C@H]([NH3+])c1ccccc1 ZINC000072224605 394594377 /nfs/dbraw/zinc/59/43/77/394594377.db2.gz HMMUBKHVCOWOSI-QGZVFWFLSA-N 1 0 283.375 2.275 40 0 CEABRO CC[C@@H](O)c1cnc(N2CC[NH+](C(C)C)CC2)cc1C ZINC000072223708 394594549 /nfs/dbraw/zinc/59/45/49/394594549.db2.gz JQOKNYOVQXEUGG-OAHLLOKOSA-N 1 0 277.412 2.364 40 0 CEABRO COc1cccc(NCCc2nnc([C@H]([NH3+])C(C)C)[nH]2)c1 ZINC000095534745 394673612 /nfs/dbraw/zinc/67/36/12/394673612.db2.gz KAIWZTIPMIZNCY-CQSZACIVSA-N 1 0 289.383 2.124 40 0 CEABRO COCCC(=O)N1CCC[C@@H]2[C@H]1CCCC[N@@H+]2CC1CC1 ZINC000257235822 292270917 /nfs/dbraw/zinc/27/09/17/292270917.db2.gz GZQXVGHTDSXQNI-HZPDHXFCSA-N 1 0 294.439 2.278 40 0 CEABRO CC1CC[NH+](C[C@H](O)COc2ccccc2F)CC1 ZINC000006395793 170197920 /nfs/dbraw/zinc/19/79/20/170197920.db2.gz LLXJZHFRDRNTAG-ZDUSSCGKSA-N 1 0 267.344 2.297 40 0 CEABRO COc1ccccc1C(=O)Nc1ccc(C[NH3+])cc1 ZINC000020224331 171086764 /nfs/dbraw/zinc/08/67/64/171086764.db2.gz IDDYRXIVYXYMFL-UHFFFAOYSA-N 1 0 256.305 2.406 40 0 CEABRO CC(C)c1ccccc1O[C@@H](C)C(=O)NCC[NH+](C)C ZINC000022510514 171389207 /nfs/dbraw/zinc/38/92/07/171389207.db2.gz FQONHXVUAQUKMD-ZDUSSCGKSA-N 1 0 278.396 2.255 40 0 CEABRO CCOC(=O)CC[NH2+]CCc1c[nH]c2ccccc12 ZINC000039240898 174166998 /nfs/dbraw/zinc/16/69/98/174166998.db2.gz MFPSAQUALOPLGB-UHFFFAOYSA-N 1 0 260.337 2.253 40 0 CEABRO C[C@@H]1CN(C(=O)c2cccc3ccccc32)CC[NH2+]1 ZINC000071978907 176307764 /nfs/dbraw/zinc/30/77/64/176307764.db2.gz FAFCZJZTCYVZBJ-GFCCVEGCSA-N 1 0 254.333 2.274 40 0 CEABRO C[C@@H]1C[NH2+]CC[C@H]1n1nc(-c2cccs2)ccc1=O ZINC000072335407 176370807 /nfs/dbraw/zinc/37/08/07/176370807.db2.gz HICRWPJDNBZEJP-ZYHUDNBSSA-N 1 0 275.377 2.142 40 0 CEABRO CCCNC(=O)c1cncc(C[C@@H]2CCC[N@H+](C)C2)c1 ZINC000072369329 176383964 /nfs/dbraw/zinc/38/39/64/176383964.db2.gz QHYKUTGPWWJLBK-ZDUSSCGKSA-N 1 0 275.396 2.106 40 0 CEABRO Cc1nc(Nc2ncccn2)cc([C@H]2CCC[N@H+]2C)n1 ZINC000072382617 176388397 /nfs/dbraw/zinc/38/83/97/176388397.db2.gz YPVFHVYNZZQPNC-GFCCVEGCSA-N 1 0 270.340 2.085 40 0 CEABRO Cc1c[nH]nc1C1(C)CC[NH+](Cc2cnn(C)c2)CC1 ZINC000072388876 176393923 /nfs/dbraw/zinc/39/39/23/176393923.db2.gz XDCFRANCTAINNZ-UHFFFAOYSA-N 1 0 273.384 2.005 40 0 CEABRO CCOC(=O)c1sc([C@H]2CCC[NH2+]C2)nc1C ZINC000088870277 263067259 /nfs/dbraw/zinc/06/72/59/263067259.db2.gz UBMDTLDIMDGREZ-VIFPVBQESA-N 1 0 254.355 2.095 40 0 CEABRO COc1cc2c(cc1OC)-c1ccc3c([n+]1CC2)CCC3=O ZINC000001734276 274102730 /nfs/dbraw/zinc/10/27/30/274102730.db2.gz VWCIIQRMDJTUBS-UHFFFAOYSA-N 1 0 296.346 2.343 40 0 CEABRO O=C1OC2(CC[NH2+]CC2)c2ccc(Br)cc21 ZINC000072194428 275026654 /nfs/dbraw/zinc/02/66/54/275026654.db2.gz ZNTOHWXQKHYBLX-UHFFFAOYSA-N 1 0 282.137 2.198 40 0 in-vitro CEABRO CNC(=O)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000028220872 277251259 /nfs/dbraw/zinc/25/12/59/277251259.db2.gz KNYSEWHMZXNEQO-LBPRGKRZSA-N 1 0 266.772 2.298 40 0 CEABRO C[NH2+]C1CCC2(CC1)CNC(=O)c1cc(C)ccc1O2 ZINC000019219132 277262880 /nfs/dbraw/zinc/26/28/80/277262880.db2.gz LEPYOHCJHXWXPU-UHFFFAOYSA-N 1 0 274.364 2.018 40 0 CEABRO C[C@@H]1CN(c2ccc(C(F)(F)F)cc2N)C[C@H](C)[NH2+]1 ZINC000008702544 278801833 /nfs/dbraw/zinc/80/18/33/278801833.db2.gz AURPGRMGISUDJJ-DTORHVGOSA-N 1 0 273.302 2.474 40 0 CEABRO COc1ccc(CCN2CC[NH2+][C@H]3CCC[C@H]32)cc1OC ZINC000218841091 333136940 /nfs/dbraw/zinc/13/69/40/333136940.db2.gz QVUJQUSFWWPCAB-LSDHHAIUSA-N 1 0 290.407 2.073 40 0 CEABRO CC[NH+](CC)CCCN[C@H](C)C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000013561975 520623653 /nfs/dbraw/zinc/62/36/53/520623653.db2.gz HXTWJHKANGPBIS-BZUAXINKSA-N 1 0 297.487 2.201 40 0 CEABRO OC[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000095932013 185032678 /nfs/dbraw/zinc/03/26/78/185032678.db2.gz JVJIYCXIYVNRHB-VXGBXAGGSA-N 1 0 259.271 2.289 40 0 CEABRO c1ccc(C[N@@H+]2CC[C@H]3C[C@H](c4ccncn4)O[C@@H]3C2)nc1 ZINC000096046120 185071397 /nfs/dbraw/zinc/07/13/97/185071397.db2.gz WXXFJQKVQNJFMP-IAOVAPTHSA-N 1 0 296.374 2.224 40 0 CEABRO CO[C@@H]1COC2(C1)CC[NH+](Cc1ccc(C)o1)CC2 ZINC000096048134 185072557 /nfs/dbraw/zinc/07/25/57/185072557.db2.gz UFHRWLJLTIMFDN-AWEZNQCLSA-N 1 0 265.353 2.358 40 0 CEABRO O=C1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2cccnc2)N1CC1CC1 ZINC000096056550 185077722 /nfs/dbraw/zinc/07/77/22/185077722.db2.gz MOJGEUIEIYRFGH-HZPDHXFCSA-N 1 0 285.391 2.057 40 0 CEABRO Cc1noc(C)c1C[N@H+]1CC[C@H]2C[C@@H](C)O[C@@H]2C1 ZINC000096070658 185086881 /nfs/dbraw/zinc/08/68/81/185086881.db2.gz LKUAANZEFSRWDV-LJWDBELGSA-N 1 0 250.342 2.291 40 0 CEABRO C[N@@H+]1CCC[C@]12CCCN(C(=O)Cc1cccs1)C2 ZINC000096071403 185087165 /nfs/dbraw/zinc/08/71/65/185087165.db2.gz ISPAALWOZRBGHF-OAHLLOKOSA-N 1 0 278.421 2.377 40 0 CEABRO O=C1CCC2(CCC([NH2+]Cc3cccs3)CC2)N1 ZINC000096075803 185088913 /nfs/dbraw/zinc/08/89/13/185088913.db2.gz UYMARSGIUFTBCA-UHFFFAOYSA-N 1 0 264.394 2.429 40 0 CEABRO COc1ccccc1C[N@H+]1CC[C@]2(C[C@H](OC)CO2)C1 ZINC000096107580 185099446 /nfs/dbraw/zinc/09/94/46/185099446.db2.gz DQMDGMOIYJJWNS-HOCLYGCPSA-N 1 0 277.364 2.075 40 0 CEABRO COc1ccc2nc3n(c2c1)[C@@H](C[NH2+]C(C)C)COC3 ZINC000096112635 185100823 /nfs/dbraw/zinc/10/08/23/185100823.db2.gz RTBQLYVKICEHHU-NSHDSACASA-N 1 0 275.352 2.114 40 0 biogenic,in-vitro CEABRO c1ccc(C[NH+]2C[C@@H]3CN(c4ncccn4)C[C@H]3C2)cc1 ZINC000039348999 343436042 /nfs/dbraw/zinc/43/60/42/343436042.db2.gz JJRLPUYJOZKMFO-HZPDHXFCSA-N 1 0 280.375 2.045 40 0 CEABRO C[N@@H+]1CC[C@H](c2nnc(COc3ccc(F)cc3)o2)C1 ZINC000049170383 362342887 /nfs/dbraw/zinc/34/28/87/362342887.db2.gz DYBFRVJYYXLAGI-JTQLQIEISA-N 1 0 277.299 2.207 40 0 biogenic,in-vitro CEABRO c1cncc(-c2nnc([C@H]3CC[N@@H+](CC4CC4)C3)o2)c1 ZINC000049169718 362343219 /nfs/dbraw/zinc/34/32/19/362343219.db2.gz YTJGGQYSNXJCEL-ZDUSSCGKSA-N 1 0 270.336 2.331 40 0 biogenic,in-vitro CEABRO FC(F)(F)c1cccc(OC[C@@H]2CCC[NH2+]C2)n1 ZINC000051883249 362443065 /nfs/dbraw/zinc/44/30/65/362443065.db2.gz WXOAGZXXKMBPKL-SECBINFHSA-N 1 0 260.259 2.479 40 0 CEABRO [NH3+]CCc1nc(C2(n3cccc3)CCCCC2)no1 ZINC000409440852 344889656 /nfs/dbraw/zinc/88/96/56/344889656.db2.gz MKBFLMMBKDBMAV-UHFFFAOYSA-N 1 0 260.341 2.080 40 0 CEABRO CCn1cc(C[N@@H+]2CC[C@@H](c3nc(C)c[nH]3)C2)c(C)n1 ZINC000585181412 345009023 /nfs/dbraw/zinc/00/90/23/345009023.db2.gz ISCUSGFWRFSICN-CYBMUJFWSA-N 1 0 273.384 2.232 40 0 CEABRO Cc1ncccc1C[N@@H+]1CC[C@@](O)(COc2ccccc2)C1 ZINC000585274255 345009293 /nfs/dbraw/zinc/00/92/93/345009293.db2.gz HUUMIAVVSUBYHQ-SFHVURJKSA-N 1 0 298.386 2.406 40 0 CEABRO CC(=O)N1CC[C@@H]2[C@H]1CCCC[N@@H+]2CC1(O)CCCCC1 ZINC000585282220 345009882 /nfs/dbraw/zinc/00/98/82/345009882.db2.gz BVIIFSLLWGMIJK-HZPDHXFCSA-N 1 0 294.439 2.157 40 0 CEABRO CCCC[C@@H]1CN(c2cccc(C(=O)OC)c2)CC[NH2+]1 ZINC000054965473 362540600 /nfs/dbraw/zinc/54/06/00/362540600.db2.gz CFLSJZYLFMJBNG-CQSZACIVSA-N 1 0 276.380 2.442 40 0 CEABRO CCN(C[C@@H]1CC[NH2+]C1)C(=O)OCc1ccccc1 ZINC000059301320 362648331 /nfs/dbraw/zinc/64/83/31/362648331.db2.gz OEIMZGYBBMUMBT-CQSZACIVSA-N 1 0 262.353 2.255 40 0 CEABRO CS/C(=C\c1ccc2ccccc2[n+]1C)NCCCO ZINC000100952869 185730958 /nfs/dbraw/zinc/73/09/58/185730958.db2.gz YBIXHWVOFVVNLN-UHFFFAOYSA-O 1 0 289.424 2.298 40 0 CEABRO CCC[NH2+][C@H]1C[C@@H](Cc2cc(CCO)on2)C1(C)C ZINC000067889758 362929972 /nfs/dbraw/zinc/92/99/72/362929972.db2.gz LNMKUKWBGRBLTR-RISCZKNCSA-N 1 0 266.385 2.166 40 0 biogenic,in-vitro CEABRO c1cncc(-c2ccc3nc(C4CC[NH2+]CC4)nn3c2)c1 ZINC000107488152 186175941 /nfs/dbraw/zinc/17/59/41/186175941.db2.gz UJVUWDRVSLJCHF-UHFFFAOYSA-N 1 0 279.347 2.258 40 0 CEABRO Cc1ccccc1CNC(=O)CC1CC[NH+](C)CC1 ZINC000074920908 363418889 /nfs/dbraw/zinc/41/88/89/363418889.db2.gz FVQJQULGUAUKKF-UHFFFAOYSA-N 1 0 260.381 2.343 40 0 CEABRO CC(C)Nc1cc(C2CC2)[nH+]c(N[C@@H](CO)C(C)C)n1 ZINC000328966530 202132998 /nfs/dbraw/zinc/13/29/98/202132998.db2.gz CMICKNIYPAOIBG-ZDUSSCGKSA-N 1 0 278.400 2.025 40 0 CEABRO CCNc1nc(NCc2cccc(OC)c2)cc(C2CC2)[nH+]1 ZINC000328967226 202133268 /nfs/dbraw/zinc/13/32/68/202133268.db2.gz CRJOGNYDJAJXMG-UHFFFAOYSA-N 1 0 298.390 2.250 40 0 CEABRO CC[N@@H+](CC(=O)[O-])C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000079393399 363594283 /nfs/dbraw/zinc/59/42/83/363594283.db2.gz VKTHBJSYRBBIES-INIZCTEOSA-N 1 0 290.407 2.305 40 0 CEABRO CSc1ccc(CNC(=O)[C@@H]([NH3+])C(C)C)cc1 ZINC000079420606 363598716 /nfs/dbraw/zinc/59/87/16/363598716.db2.gz YWZRAEVBBYNDDE-LBPRGKRZSA-N 1 0 252.383 2.008 40 0 CEABRO CCOC(=O)c1ccc(NC(=O)[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000081223412 363706762 /nfs/dbraw/zinc/70/67/62/363706762.db2.gz BJHHWNNCPGMSSF-CYBMUJFWSA-N 1 0 290.363 2.144 40 0 CEABRO CN(C)C[C@@H](C[NH+]1CCCC1)C(=O)c1ccccc1 ZINC000001571872 361209069 /nfs/dbraw/zinc/20/90/69/361209069.db2.gz PESNANQSYBTIMQ-HNNXBMFYSA-N 1 0 260.381 2.143 40 0 CEABRO O[C@@H]1CCCC[C@@H]1C[NH+]1CCN(c2ccccc2)CC1 ZINC000002022376 361225778 /nfs/dbraw/zinc/22/57/78/361225778.db2.gz TZJZHIIVJQYNPM-NVXWUHKLSA-N 1 0 274.408 2.360 40 0 CEABRO C[N@H+]1CC(=O)N2CCCC[C@H]2[C@H](c2ccccc2)C1 ZINC000004962031 361328202 /nfs/dbraw/zinc/32/82/02/361328202.db2.gz XLQKRJBDBSWEHZ-GJZGRUSLSA-N 1 0 258.365 2.097 40 0 CEABRO COc1ccc2c(c1)[C@@]1(C)C[C@H](C[N@@H+](C)CC1)[C@@H]2O ZINC000005492769 361333422 /nfs/dbraw/zinc/33/34/22/361333422.db2.gz LMCITFOGXAUPRN-XFBWCDHKSA-N 1 0 261.365 2.342 40 0 CEABRO C[C@@H]1CN([C@H](C[NH3+])c2ccc(F)cc2F)C[C@@H](C)O1 ZINC000019257478 361522359 /nfs/dbraw/zinc/52/23/59/361522359.db2.gz FRPCNYBXDUFELS-GPCCPHFNSA-N 1 0 270.323 2.074 40 0 CEABRO CSCC[C@H]([NH3+])CN1CCc2ccccc2C1 ZINC000019852818 361562350 /nfs/dbraw/zinc/56/23/50/361562350.db2.gz WXJBWJHKYNCBTL-AWEZNQCLSA-N 1 0 250.411 2.125 40 0 CEABRO CCc1cc(=O)[nH]c([C@@H]2CCC[N@H+](Cc3ccncc3)C2)n1 ZINC000019522518 361541049 /nfs/dbraw/zinc/54/10/49/361541049.db2.gz AFDAUQGIYIERMF-CQSZACIVSA-N 1 0 298.390 2.107 40 0 CEABRO CC[NH+](CC)CCNCc1cc(OC)c(OC)c(OC)c1 ZINC000019919124 361567689 /nfs/dbraw/zinc/56/76/89/361567689.db2.gz PYOMOFZNPNZSPQ-UHFFFAOYSA-N 1 0 296.411 2.144 40 0 CEABRO O=C1N(Cc2cccnc2)CC12CC[NH+](CC1CCC1)CC2 ZINC000096202886 364410273 /nfs/dbraw/zinc/41/02/73/364410273.db2.gz OSISAYAMQMIUMT-UHFFFAOYSA-N 1 0 299.418 2.306 40 0 CEABRO CC[N@@H+]1CCC[C@@]12CCCN(C(=O)c1ccccn1)C2 ZINC000096203216 364410622 /nfs/dbraw/zinc/41/06/22/364410622.db2.gz NKBCFHWJSMBBIW-MRXNPFEDSA-N 1 0 273.380 2.172 40 0 CEABRO CC(C)[C@@H]1CO[C@@]2(CC[N@H+](Cc3cnn(C)c3)C2)C1 ZINC000096218252 364413188 /nfs/dbraw/zinc/41/31/88/364413188.db2.gz ODYKVAIZCSTCFV-GJZGRUSLSA-N 1 0 263.385 2.057 40 0 CEABRO O=C1CCC[C@]2(CCC[N@H+](Cc3ccsc3)C2)N1 ZINC000096229650 364414550 /nfs/dbraw/zinc/41/45/50/364414550.db2.gz BGKOFRSCEKCTAY-CQSZACIVSA-N 1 0 264.394 2.383 40 0 CEABRO Cc1ccc(C[NH+]2CCC3(C[C@H]3C(=O)N(C)C)CC2)o1 ZINC000096227793 364414722 /nfs/dbraw/zinc/41/47/22/364414722.db2.gz ASZXKMFDJPCCOU-AWEZNQCLSA-N 1 0 276.380 2.278 40 0 CEABRO CC(C)Nc1ncnc2c1CC[N@H+](Cc1ccco1)CC2 ZINC000096255508 364417952 /nfs/dbraw/zinc/41/79/52/364417952.db2.gz SGRXLOHRASPIOZ-UHFFFAOYSA-N 1 0 286.379 2.491 40 0 CEABRO c1cc(C[N@@H+]2CCc3ncnc(C4CC4)c3CC2)ccn1 ZINC000096255086 364418749 /nfs/dbraw/zinc/41/87/49/364418749.db2.gz SRRKZNJZHIXVKJ-UHFFFAOYSA-N 1 0 280.375 2.350 40 0 CEABRO C[C@@H]1CCC[N@H+](CCCNC(=S)Nc2cccnc2)C1 ZINC000225738152 370315094 /nfs/dbraw/zinc/31/50/94/370315094.db2.gz LLFOIJNNKHMPLE-CYBMUJFWSA-N 1 0 292.452 2.490 40 0 CEABRO CCn1cc(C[N@H+](C)[C@H]2CCCN(c3ccccn3)C2)cn1 ZINC000257296171 371610892 /nfs/dbraw/zinc/61/08/92/371610892.db2.gz RBNCOCAIPHLJBB-INIZCTEOSA-N 1 0 299.422 2.399 40 0 CEABRO [NH3+]Cc1cc(-c2ccc(Br)s2)ncn1 ZINC000259064929 371623083 /nfs/dbraw/zinc/62/30/83/371623083.db2.gz MVOACLKMMYIWMB-UHFFFAOYSA-N 1 0 270.155 2.426 40 0 CEABRO Cc1nn(C2CCCC2)cc1CNCCC[NH+](C)C ZINC000256055216 190005263 /nfs/dbraw/zinc/00/52/63/190005263.db2.gz ZTQQDVHQIORYPE-UHFFFAOYSA-N 1 0 264.417 2.348 40 0 CEABRO COCCC[NH2+]Cc1cn(C2CCCC2)nc1C ZINC000256049528 190002312 /nfs/dbraw/zinc/00/23/12/190002312.db2.gz AIPNJPHGNGZILN-UHFFFAOYSA-N 1 0 251.374 2.433 40 0 CEABRO CCn1nc(C)c(C[NH2+]CCCOC(C)C)c1F ZINC000256051516 190003873 /nfs/dbraw/zinc/00/38/73/190003873.db2.gz JLMYKASDGGSHHS-UHFFFAOYSA-N 1 0 257.353 2.255 40 0 CEABRO CCCn1cc(C[NH2+]Cc2cnn(C(C)C)c2)cn1 ZINC000256051075 190003880 /nfs/dbraw/zinc/00/38/80/190003880.db2.gz HPNTUWSDCMJPBG-UHFFFAOYSA-N 1 0 261.373 2.360 40 0 CEABRO CCn1ncc(C)c1C[NH2+]Cc1cnn(CC(C)C)c1 ZINC000256052993 190004550 /nfs/dbraw/zinc/00/45/50/190004550.db2.gz PPBXCMXFOAIFIM-UHFFFAOYSA-N 1 0 275.400 2.354 40 0 CEABRO Cc1ncccc1Oc1nccnc1[C@@H]1CCC[NH2+]C1 ZINC000257197663 190010087 /nfs/dbraw/zinc/01/00/87/190010087.db2.gz GBLWUWIKWKZHJX-GFCCVEGCSA-N 1 0 270.336 2.439 40 0 CEABRO C[N@@H+]1CCC[C@@H](c2cncc(-c3ccc(CO)cc3)n2)C1 ZINC000257198283 190010748 /nfs/dbraw/zinc/01/07/48/190010748.db2.gz YBMLRUCEBXYVSF-OAHLLOKOSA-N 1 0 283.375 2.445 40 0 CEABRO CNc1ncccc1C[N@@H+]1CCC[C@@](C)(c2cc[nH]n2)C1 ZINC000257238682 190017833 /nfs/dbraw/zinc/01/78/33/190017833.db2.gz HMBGDUWHBFKQBM-MRXNPFEDSA-N 1 0 285.395 2.400 40 0 CEABRO O[C@H]1C[N@H+](CCCc2ccccc2)CC[C@@]12CCCO2 ZINC000257250295 190019860 /nfs/dbraw/zinc/01/98/60/190019860.db2.gz JLYACPVCJHWCEA-IRXDYDNUSA-N 1 0 275.392 2.235 40 0 CEABRO Cc1n[nH]cc1-c1cnc(C[C@H]2CCC[N@@H+](C)C2)cn1 ZINC000257257914 190021377 /nfs/dbraw/zinc/02/13/77/190021377.db2.gz KRPLVXHAIRBZJG-GFCCVEGCSA-N 1 0 271.368 2.059 40 0 CEABRO Cc1noc(C)c1-c1cccc([C@H]2C[NH2+]CCO2)n1 ZINC000257260722 190022702 /nfs/dbraw/zinc/02/27/02/190022702.db2.gz LEAPUTHVWGYZBF-CYBMUJFWSA-N 1 0 259.309 2.014 40 0 CEABRO Cc1cccc(C[N@@H+]2CC[C@H]3[C@H]2CCN3c2ncccn2)n1 ZINC000306131008 376539493 /nfs/dbraw/zinc/53/94/93/376539493.db2.gz JURDHVGAHBNIKR-CVEARBPZSA-N 1 0 295.390 2.033 40 0 CEABRO Cc1cccc(COC[C@@]23CCCO[C@H]2CC[NH2+]C3)n1 ZINC000306123902 376540820 /nfs/dbraw/zinc/54/08/20/376540820.db2.gz BACGSRYHTFYRJK-HOTGVXAUSA-N 1 0 276.380 2.065 40 0 CEABRO c1cc(CN2C[C@@H]3COC[C@@H]([NH+]4CCCC4)[C@@H]3C2)cs1 ZINC000306140119 376541002 /nfs/dbraw/zinc/54/10/02/376541002.db2.gz UKNMXJNNJORDIJ-BZUAXINKSA-N 1 0 292.448 2.291 40 0 CEABRO c1cncc(CN2CC[C@@H]3[C@@H]2CC[N@H+]3CC2CC2)c1 ZINC000503726552 379071539 /nfs/dbraw/zinc/07/15/39/379071539.db2.gz ZHEVNBPFRNKSDM-CVEARBPZSA-N 1 0 257.381 2.140 40 0 CEABRO O=c1oc2ccccc2c2c1C[C@@]1(CCC[NH2+]CC1)O2 ZINC000257229536 285229261 /nfs/dbraw/zinc/22/92/61/285229261.db2.gz FYLRUDIBCPXZEH-INIZCTEOSA-N 1 0 271.316 2.240 40 0 CEABRO Cc1cc(N2CCOCC2)ncc1[C@@H]1CCCC[NH2+]1 ZINC000072219412 256707657 /nfs/dbraw/zinc/70/76/57/256707657.db2.gz AAUMYLFFRPAEAM-AWEZNQCLSA-N 1 0 261.369 2.041 40 0 CEABRO c1ccc(CC2=[NH+][C@H]3C=Cc4nsnc4[C@H]3N2)cc1 ZINC000006227623 285472668 /nfs/dbraw/zinc/47/26/68/285472668.db2.gz KVIWBINWIUKDPJ-GWCFXTLKSA-N 1 0 268.345 2.219 40 0 CEABRO C[C@@H]1C[C@]1(C[NH3+])[C@@H](O)c1ccc(Br)cc1 ZINC000216575733 394452075 /nfs/dbraw/zinc/45/20/75/394452075.db2.gz FWYXTFJWBKBSSN-JFUSQASVSA-N 1 0 270.170 2.467 40 0 CEABRO Cc1ccc(NC(=O)[C@@H]2C[N@@H+](C)Cc3cn(C)nc32)c(C)c1 ZINC000019701310 394469938 /nfs/dbraw/zinc/46/99/38/394469938.db2.gz KPUJCUJVBAJJHE-CQSZACIVSA-N 1 0 298.390 2.205 40 0 CEABRO CC[C@@H]([NH3+])c1ccc(I)nc1C ZINC000072219686 394594483 /nfs/dbraw/zinc/59/44/83/394594483.db2.gz ZJNRNKBAZOLTMS-MRVPVSSYSA-N 1 0 276.121 2.404 40 0 CEABRO Cc1cnccc1-c1cnc(N(C)C)nc1[C@H]1CCC[NH2+]1 ZINC000257230321 394595585 /nfs/dbraw/zinc/59/55/85/394595585.db2.gz GBSUYZDMBXUEBC-CQSZACIVSA-N 1 0 283.379 2.338 40 0 CEABRO CC[C@H]([C@@H]([NH3+])c1cccc(C)c1)S(=O)(=O)CC ZINC000096524980 394697305 /nfs/dbraw/zinc/69/73/05/394697305.db2.gz HSJZMKMGKGROBG-OLZOCXBDSA-N 1 0 255.383 2.208 40 0 CEABRO c1c2c(cc3c1CC[NH2+][C@H]3C1CCOCC1)OCO2 ZINC000072398461 296600156 /nfs/dbraw/zinc/60/01/56/296600156.db2.gz OZHHHIBEBYCKKU-HNNXBMFYSA-N 1 0 261.321 2.029 40 0 CEABRO [NH2+]=C(NC[C@H](O)c1ccccc1)Nc1ccccc1 ZINC000008652588 170343920 /nfs/dbraw/zinc/34/39/20/170343920.db2.gz AZNXXFIUQNYYDT-AWEZNQCLSA-N 1 0 255.321 2.356 40 0 CEABRO CCCn1nccc1C[NH2+]Cc1cn(CC)nc1C ZINC000020349907 171155548 /nfs/dbraw/zinc/15/55/48/171155548.db2.gz RPYYSVQKOHSNDU-UHFFFAOYSA-N 1 0 261.373 2.108 40 0 CEABRO C[C@@H]1CN([C@@H](C[NH3+])c2cccc(Cl)c2)C[C@@H](C)O1 ZINC000022222152 171378707 /nfs/dbraw/zinc/37/87/07/171378707.db2.gz NLAGDHOLDUBGQI-GYSYKLTISA-N 1 0 268.788 2.449 40 0 CEABRO CC(C)c1ccc(S(=O)(=O)NC[C@@H](C)C[NH+](C)C)cc1 ZINC000022259196 171382611 /nfs/dbraw/zinc/38/26/11/171382611.db2.gz UDRBTYGCHVIFQY-CYBMUJFWSA-N 1 0 298.452 2.286 40 0 CEABRO Nc1[nH+]ccn1Cc1cccc(Br)c1 ZINC000037483170 173228663 /nfs/dbraw/zinc/22/86/63/173228663.db2.gz FKHPGCDGWAZWFW-UHFFFAOYSA-N 1 0 252.115 2.276 40 0 CEABRO COc1ccc(CN2CCC[C@H]([NH3+])C2)cc1Cl ZINC000038539712 174145711 /nfs/dbraw/zinc/14/57/11/174145711.db2.gz GFEYURYTFSWJOM-NSHDSACASA-N 1 0 254.761 2.272 40 0 CEABRO Brc1ccccc1CN[C@@H]1CCC[NH2+]C1 ZINC000043327536 175009090 /nfs/dbraw/zinc/00/90/90/175009090.db2.gz RNUZWIDMQNFKHE-LLVKDONJSA-N 1 0 269.186 2.291 40 0 CEABRO Fc1cc(F)cc(-c2noc(C3CC[NH2+]CC3)n2)c1 ZINC000043387473 175033325 /nfs/dbraw/zinc/03/33/25/175033325.db2.gz UFVIHHOSXCETAJ-UHFFFAOYSA-N 1 0 265.263 2.482 40 0 CEABRO CN(C)c1cc[n+](C(F)(F)[C@@H](O)c2ccccc2)cc1 ZINC000043879514 175116096 /nfs/dbraw/zinc/11/60/96/175116096.db2.gz DZGXXPLBLRUUMI-AWEZNQCLSA-N 1 0 279.310 2.323 40 0 CEABRO [NH3+]CCc1cc(-c2cccc(Br)c2)n[nH]1 ZINC000072226124 176343344 /nfs/dbraw/zinc/34/33/44/176343344.db2.gz JGENPFJZLMCINB-UHFFFAOYSA-N 1 0 266.142 2.340 40 0 CEABRO CN(C)c1cc(C2CC[NH+](Cc3cnn(C)c3)CC2)ccn1 ZINC000072364259 176378730 /nfs/dbraw/zinc/37/87/30/176378730.db2.gz NQRSPZLWIUCVDK-UHFFFAOYSA-N 1 0 299.422 2.261 40 0 CEABRO C[N@@H+]1CCC[C@H](c2ccnc(Nc3cnccn3)c2)C1 ZINC000072364989 176380139 /nfs/dbraw/zinc/38/01/39/176380139.db2.gz JGYJGKZGDZEEGU-ZDUSSCGKSA-N 1 0 269.352 2.424 40 0 CEABRO C[N@@H+]1CCC[C@H](c2cncc(NCCc3ccccn3)n2)C1 ZINC000072365198 176380772 /nfs/dbraw/zinc/38/07/72/176380772.db2.gz VVOBNUOHOYQLJD-AWEZNQCLSA-N 1 0 297.406 2.335 40 0 CEABRO Cc1nccn1CCNc1cccc([C@H]2CCC[N@H+]2C)n1 ZINC000072365343 176380778 /nfs/dbraw/zinc/38/07/78/176380778.db2.gz RHZSXONPDUSARO-OAHLLOKOSA-N 1 0 285.395 2.465 40 0 CEABRO Cc1cccnc1Nc1cncc([C@H]2CCC[NH2+]2)n1 ZINC000072376503 176384896 /nfs/dbraw/zinc/38/48/96/176384896.db2.gz NUZKDXQDWVSNGX-LLVKDONJSA-N 1 0 255.325 2.348 40 0 CEABRO CC(=O)N1CCC[C@H](c2cc(N(C)C)cc(C)[nH+]2)C1 ZINC000072380834 176387063 /nfs/dbraw/zinc/38/70/63/176387063.db2.gz CGHREMITJPEKCN-ZDUSSCGKSA-N 1 0 261.369 2.182 40 0 CEABRO Cn1c(C[N@@H+]2CC[C@H](c3cc[nH]n3)C2)nc2ccccc21 ZINC000072385299 176390154 /nfs/dbraw/zinc/39/01/54/176390154.db2.gz JIFMVJWGZCNXFY-LBPRGKRZSA-N 1 0 281.363 2.286 40 0 CEABRO CNc1ncccc1C[N@@H+]1CCC[C@@H](c2cnccn2)C1 ZINC000072386205 176391363 /nfs/dbraw/zinc/39/13/63/176391363.db2.gz XLBFYMMUMRQEEQ-CYBMUJFWSA-N 1 0 283.379 2.293 40 0 CEABRO Cc1ccn(CCNc2cccc([C@H]3CCC[NH2+]3)n2)n1 ZINC000072386896 176392061 /nfs/dbraw/zinc/39/20/61/176392061.db2.gz MOJMFIYODRWDNE-CYBMUJFWSA-N 1 0 271.368 2.123 40 0 CEABRO Cc1cnc(CCNc2cnc([C@H]3CCC[NH2+]3)cn2)s1 ZINC000072386992 176392614 /nfs/dbraw/zinc/39/26/14/176392614.db2.gz WZPNPNCPIMUHPV-LLVKDONJSA-N 1 0 289.408 2.321 40 0 CEABRO Cc1nc([C@H]2C[NH2+]CCO2)cc(N(C)Cc2ccccc2)n1 ZINC000072387872 176393551 /nfs/dbraw/zinc/39/35/51/176393551.db2.gz HNOUBEHNYCQLEG-MRXNPFEDSA-N 1 0 298.390 2.082 40 0 CEABRO O=C1CCC2(CC[NH2+]CC2)N1Cc1cccc(F)c1 ZINC000096228324 265336262 /nfs/dbraw/zinc/33/62/62/265336262.db2.gz IPTOBDLLXZQLEZ-UHFFFAOYSA-N 1 0 262.328 2.070 40 0 CEABRO c1cc(NC2CCC2)cn2nc(C3CC[NH2+]CC3)nc12 ZINC000096260712 265348708 /nfs/dbraw/zinc/34/87/08/265348708.db2.gz FYGMEUNSBKDOLS-UHFFFAOYSA-N 1 0 271.368 2.161 40 0 CEABRO CC[NH+](CC)C[C@H](O)COc1ccc2c(c1)CCC2 ZINC000006325222 276108830 /nfs/dbraw/zinc/10/88/30/276108830.db2.gz DGCZTDKWXVKNQF-HNNXBMFYSA-N 1 0 263.381 2.257 40 0 CEABRO CC(C)N(C(=O)OC(C)(C)C)C1CCN(CC[NH3+])CC1 ZINC000079408535 279299655 /nfs/dbraw/zinc/29/96/55/279299655.db2.gz TYHHRJCUVQALTB-UHFFFAOYSA-N 1 0 285.432 2.055 40 0 CEABRO Nc1ncc(-c2cccc(F)c2)c([C@H]2CCC[NH2+]2)n1 ZINC000257198142 279709399 /nfs/dbraw/zinc/70/93/99/279709399.db2.gz URSRAGORNADHGB-GFCCVEGCSA-N 1 0 258.300 2.289 40 0 CEABRO C[C@H]1Cc2ccccc2N1C(=O)[C@H]1CCC[N@H+](C)C1 ZINC000082337170 280031380 /nfs/dbraw/zinc/03/13/80/280031380.db2.gz KQPIBFWLXXQLNF-JSGCOSHPSA-N 1 0 258.365 2.306 40 0 CEABRO CCCNC(=O)NCCC[N@@H+]1CCCC[C@H]1CC ZINC000260802872 328070926 /nfs/dbraw/zinc/07/09/26/328070926.db2.gz OBFHCSABFKURFO-CYBMUJFWSA-N 1 0 255.406 2.350 40 0 CEABRO CCCNC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000049265396 326972151 /nfs/dbraw/zinc/97/21/51/326972151.db2.gz MIBQZQIPWMITGJ-UHFFFAOYSA-N 1 0 275.396 2.492 40 0 CEABRO COC(=O)[C@@H](C[NH3+])c1c[nH]c2ccc(Br)cc21 ZINC000027851451 333207842 /nfs/dbraw/zinc/20/78/42/333207842.db2.gz BKJDOBXUPXAYNW-VIFPVBQESA-N 1 0 297.152 2.146 40 0 CEABRO