smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name c1cc2n(c1)C[C@H](CCNc1cccc[nH+]1)C[NH2+]C2 ZINC000585095295 367177402 /nfs/dbraw/zinc/17/74/02/367177402.db2.gz OJHHPKFPSNSJEL-CYBMUJFWSA-N 2 2 256.353 2.105 40 0 CEABLP CC[NH+](CC)CC[C@H]1CN(C(=O)C(C)C)Cc2c[nH+]cn21 ZINC000585096450 367177675 /nfs/dbraw/zinc/17/76/75/367177675.db2.gz ODXZEDRQESJOBF-AWEZNQCLSA-N 2 2 292.427 2.154 40 0 CEABLP Cc1c[nH]c([C@H]2CCC[N@@H+](Cc3cc(C)on3)C2)[nH+]1 ZINC000257297491 190029850 /nfs/dbraw/zinc/02/98/50/190029850.db2.gz RHLMNZXPSRGROP-LBPRGKRZSA-N 2 2 260.341 2.394 40 0 CEABLP Cc1c[nH]c([C@H]2CCC[N@H+](Cc3cc(C)on3)C2)[nH+]1 ZINC000257297491 190029851 /nfs/dbraw/zinc/02/98/51/190029851.db2.gz RHLMNZXPSRGROP-LBPRGKRZSA-N 2 2 260.341 2.394 40 0 CEABLP CC[NH+]1CCC([N@@H+]2CC[C@@H](c3nc(C)cc(C)n3)C2)CC1 ZINC000257313418 190031924 /nfs/dbraw/zinc/03/19/24/190031924.db2.gz USHNNOOJYFGJOY-OAHLLOKOSA-N 2 2 288.439 2.367 40 0 CEABLP CC[NH+]1CCC([N@H+]2CC[C@@H](c3nc(C)cc(C)n3)C2)CC1 ZINC000257313418 190031925 /nfs/dbraw/zinc/03/19/25/190031925.db2.gz USHNNOOJYFGJOY-OAHLLOKOSA-N 2 2 288.439 2.367 40 0 CEABLP C[NH+](C)C[C@@H]1Cn2cc[nH+]c2CN(Cc2ccsc2)C1 ZINC000096188182 256816699 /nfs/dbraw/zinc/81/66/99/256816699.db2.gz WKXARTMTHDZVOX-AWEZNQCLSA-N 2 2 290.436 2.138 40 0 CEABLP CC[NH+](CC)[C@H](C[NH3+])c1ccc(OC)cc1OC ZINC000038808908 174155958 /nfs/dbraw/zinc/15/59/58/174155958.db2.gz UYYJVSHOUGFOSX-CYBMUJFWSA-N 2 2 252.358 2.045 40 0 CEABLP CC[NH+]1CCC([N@@H+]2CCC[C@H]2c2ccnc(C)n2)CC1 ZINC000257204930 276358920 /nfs/dbraw/zinc/35/89/20/276358920.db2.gz AWXRMTKEURLRIC-INIZCTEOSA-N 2 2 274.412 2.406 40 0 CEABLP CC[NH+]1CCC([N@H+]2CCC[C@H]2c2ccnc(C)n2)CC1 ZINC000257204930 276358921 /nfs/dbraw/zinc/35/89/21/276358921.db2.gz AWXRMTKEURLRIC-INIZCTEOSA-N 2 2 274.412 2.406 40 0 CEABLP c1cn([C@H]2CO[C@]3(C2)CCC[N@@H+](Cc2ccncc2)C3)c[nH+]1 ZINC000107731413 186189238 /nfs/dbraw/zinc/18/92/38/186189238.db2.gz QDQCLGDBADXANC-SJORKVTESA-N 2 2 298.390 2.274 40 0 CEABLP c1cn([C@H]2CO[C@]3(C2)CCC[N@H+](Cc2ccncc2)C3)c[nH+]1 ZINC000107731413 186189240 /nfs/dbraw/zinc/18/92/40/186189240.db2.gz QDQCLGDBADXANC-SJORKVTESA-N 2 2 298.390 2.274 40 0 CEABLP CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1cc(Cl)ccc1Cl ZINC000016981852 361500809 /nfs/dbraw/zinc/50/08/09/361500809.db2.gz NSPSLCYVKZBTBT-UHFFFAOYSA-N 2 2 286.166 2.179 40 0 CEABLP CCn1nc(C)c(C[NH2+]CCC[NH+](CC)CC)c1F ZINC000256054404 190005298 /nfs/dbraw/zinc/00/52/98/190005298.db2.gz WCXBUIJUVRRGDT-UHFFFAOYSA-N 2 2 270.396 2.172 40 0 CEABLP CC[NH+](CC)CCC[NH2+]Cc1cnn(CC(C)C)c1 ZINC000256049679 190002476 /nfs/dbraw/zinc/00/24/76/190002476.db2.gz AXWRQXLBWNNWBV-UHFFFAOYSA-N 2 2 266.433 2.361 40 0 CEABLP Cc1cc(-c2ccc(N)[nH+]c2)cc([C@@H]2CC[NH2+]C2)n1 ZINC000257209624 190012455 /nfs/dbraw/zinc/01/24/55/190012455.db2.gz BREQFUCHMMATRY-GFCCVEGCSA-N 2 2 254.337 2.111 40 0 CEABLP Cn1c[nH+]cc1C1CC[NH+](Cc2ccncc2)CC1 ZINC000257232120 190017117 /nfs/dbraw/zinc/01/71/17/190017117.db2.gz GJMMNXAIBGGQSQ-UHFFFAOYSA-N 2 2 256.353 2.195 40 0 CEABLP CCc1[nH]c(C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)c(C)[nH+]1 ZINC000257255009 190021002 /nfs/dbraw/zinc/02/10/02/190021002.db2.gz KFSNPQLOQKEEJX-LBPRGKRZSA-N 2 2 273.384 2.383 40 0 CEABLP CCc1[nH]c(C[N@H+]2CCC[C@H](c3cc[nH]n3)C2)c(C)[nH+]1 ZINC000257255009 190021003 /nfs/dbraw/zinc/02/10/03/190021003.db2.gz KFSNPQLOQKEEJX-LBPRGKRZSA-N 2 2 273.384 2.383 40 0 CEABLP Nc1ccc(-c2cnc(C[C@H]3CCC[NH2+]CC3)cn2)c[nH+]1 ZINC000257300979 190029091 /nfs/dbraw/zinc/02/90/91/190029091.db2.gz RWLDOJSOWJOPFJ-LBPRGKRZSA-N 2 2 283.379 2.053 40 0 CEABLP CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1ccc(Cl)c(Cl)c1 ZINC000001666573 394452198 /nfs/dbraw/zinc/45/21/98/394452198.db2.gz FPULLBVUFHTKQQ-UHFFFAOYSA-N 2 2 286.166 2.179 40 0 CEABLP [NH3+]C[C@H]1CCC[N@H+](Cc2ccc(Br)o2)C1 ZINC000044527843 175192471 /nfs/dbraw/zinc/19/24/71/175192471.db2.gz FGDUELZDKSAMFF-SECBINFHSA-N 2 2 273.174 2.213 40 0 CEABLP [NH3+]C[C@H]1CCC[N@@H+](Cc2ccc(Br)o2)C1 ZINC000044527843 175192472 /nfs/dbraw/zinc/19/24/72/175192472.db2.gz FGDUELZDKSAMFF-SECBINFHSA-N 2 2 273.174 2.213 40 0 CEABLP CC(C)c1[nH+]ccn1-c1nccnc1[C@H]1CCC[NH2+]C1 ZINC000072348380 176373279 /nfs/dbraw/zinc/37/32/79/176373279.db2.gz CCCSLHNXQAXGFA-LBPRGKRZSA-N 2 2 271.368 2.253 40 0 CEABLP CC(C)C[N@@H+]1CCc2c(C[NH+](C)C(C)C)n[nH]c2C1 ZINC000096255854 364419058 /nfs/dbraw/zinc/41/90/58/364419058.db2.gz ZEIQSJXDYSJUKQ-UHFFFAOYSA-N 2 2 264.417 2.264 40 0 CEABLP CC(C)C[N@H+]1CCc2c(C[NH+](C)C(C)C)n[nH]c2C1 ZINC000096255854 364419059 /nfs/dbraw/zinc/41/90/59/364419059.db2.gz ZEIQSJXDYSJUKQ-UHFFFAOYSA-N 2 2 264.417 2.264 40 0 CEABLP CC(C)C[NH+]1CCc2c(C[N@H+](C)C(C)C)n[nH]c2C1 ZINC000096255854 364419065 /nfs/dbraw/zinc/41/90/65/364419065.db2.gz ZEIQSJXDYSJUKQ-UHFFFAOYSA-N 2 2 264.417 2.264 40 0 CEABLP CC(C)C[NH+]1CCc2c(C[N@@H+](C)C(C)C)n[nH]c2C1 ZINC000096255854 364419067 /nfs/dbraw/zinc/41/90/67/364419067.db2.gz ZEIQSJXDYSJUKQ-UHFFFAOYSA-N 2 2 264.417 2.264 40 0 CEABLP CCCn1cc[nH+]c1CN1CC[NH2+]C[C@H]1c1ccccc1 ZINC000257252817 190020466 /nfs/dbraw/zinc/02/04/66/190020466.db2.gz JWFFNQJHZUDVBX-INIZCTEOSA-N 2 2 284.407 2.440 40 0 CEABLP CN(C)c1cc([C@@H]2CCC[N@H+](Cc3ccn(C)n3)C2)cc[nH+]1 ZINC000257340588 190036821 /nfs/dbraw/zinc/03/68/21/190036821.db2.gz ZGUTVNQPEOVQEB-OAHLLOKOSA-N 2 2 299.422 2.261 40 0 CEABLP CN(C)c1cc([C@@H]2CCC[N@@H+](Cc3ccn(C)n3)C2)cc[nH+]1 ZINC000257340588 190036822 /nfs/dbraw/zinc/03/68/22/190036822.db2.gz ZGUTVNQPEOVQEB-OAHLLOKOSA-N 2 2 299.422 2.261 40 0 CEABLP c1coc(C[N@@H+]2CCC[C@@]3(C[C@H](n4cc[nH+]c4)CO3)C2)c1 ZINC000096048545 185073035 /nfs/dbraw/zinc/07/30/35/185073035.db2.gz ODJOIXLINXIUPZ-GOEBONIOSA-N 2 2 287.363 2.472 40 0 CEABLP c1coc(C[N@H+]2CCC[C@@]3(C[C@H](n4cc[nH+]c4)CO3)C2)c1 ZINC000096048545 185073036 /nfs/dbraw/zinc/07/30/36/185073036.db2.gz ODJOIXLINXIUPZ-GOEBONIOSA-N 2 2 287.363 2.472 40 0 CEABLP c1cc(C[N@@H+]2CCC3(C[NH+](C4CCOCC4)C3)C2)cs1 ZINC000096070935 185087067 /nfs/dbraw/zinc/08/70/67/185087067.db2.gz XEGFKKPXKRRXDJ-UHFFFAOYSA-N 2 2 292.448 2.435 40 0 CEABLP c1cc(C[N@H+]2CCC3(C[NH+](C4CCOCC4)C3)C2)cs1 ZINC000096070935 185087069 /nfs/dbraw/zinc/08/70/69/185087069.db2.gz XEGFKKPXKRRXDJ-UHFFFAOYSA-N 2 2 292.448 2.435 40 0 CEABLP COc1cc(OC)cc([C@H](C[NH3+])[NH+]2CCC(C)CC2)c1 ZINC000019840854 361561580 /nfs/dbraw/zinc/56/15/80/361561580.db2.gz HGVJAWYAYJJGDN-INIZCTEOSA-N 2 2 278.396 2.436 40 0 CEABLP CCCn1cc(C[NH2+]CCC[NH+](CC)CC)cn1 ZINC000116911907 365081083 /nfs/dbraw/zinc/08/10/83/365081083.db2.gz JZNRYOLVHNDLHE-UHFFFAOYSA-N 2 2 252.406 2.115 40 0 CEABLP CC(C)n1nc(C2CC2)cc1C[NH2+]CCC[NH+](C)C ZINC000256053382 190004710 /nfs/dbraw/zinc/00/47/10/190004710.db2.gz RFOOXCMCSQIHAS-UHFFFAOYSA-N 2 2 264.417 2.383 40 0 CEABLP CCC[N@@H+]1CCO[C@H](c2cc(N(C)C)cc(C)[nH+]2)C1 ZINC000257243966 190019257 /nfs/dbraw/zinc/01/92/57/190019257.db2.gz IJIKSZCRRCBMAI-HNNXBMFYSA-N 2 2 263.385 2.239 40 0 CEABLP CCC[N@H+]1CCO[C@H](c2cc(N(C)C)cc(C)[nH+]2)C1 ZINC000257243966 190019258 /nfs/dbraw/zinc/01/92/58/190019258.db2.gz IJIKSZCRRCBMAI-HNNXBMFYSA-N 2 2 263.385 2.239 40 0 CEABLP Brc1cccc(C[NH2+][C@H]2CCC[NH2+]C2)c1 ZINC000043327535 175009280 /nfs/dbraw/zinc/00/92/80/175009280.db2.gz WLMNLQFWBATCOW-LBPRGKRZSA-N 2 2 269.186 2.291 40 0 CEABLP c1coc(C[NH+]2CCC3(CC2)COCC[N@H+]3CC2CC2)c1 ZINC000096048911 185073108 /nfs/dbraw/zinc/07/31/08/185073108.db2.gz PJNKAWZNVKHRRH-UHFFFAOYSA-N 2 2 290.407 2.356 40 0 CEABLP c1coc(C[NH+]2CCC3(CC2)COCC[N@@H+]3CC2CC2)c1 ZINC000096048911 185073109 /nfs/dbraw/zinc/07/31/09/185073109.db2.gz PJNKAWZNVKHRRH-UHFFFAOYSA-N 2 2 290.407 2.356 40 0 CEABLP Fc1ccc(-c2c[nH+]c3n2C[C@@]2(CC[NH2+]C2)C3)cc1 ZINC000306141822 282969744 /nfs/dbraw/zinc/96/97/44/282969744.db2.gz WHJCOKMKIHABPM-HNNXBMFYSA-N 2 2 257.312 2.225 40 0 CEABLP Cc1nc(N2CC[C@@H]([NH3+])C2)cc(-c2ccc(F)cc2)[nH+]1 ZINC000070458549 363085887 /nfs/dbraw/zinc/08/58/87/363085887.db2.gz ZUCXWFYRPIBZKG-CYBMUJFWSA-N 2 2 272.327 2.129 40 0 CEABLP CC(C)N(C[C@@H]1CCC[N@H+]1CC[NH3+])C(=O)OC(C)(C)C ZINC000079408503 363595235 /nfs/dbraw/zinc/59/52/35/363595235.db2.gz LCCCWMNESKHNAZ-ZDUSSCGKSA-N 2 2 285.432 2.055 40 0 CEABLP CC(C)N(C[C@@H]1CCC[N@@H+]1CC[NH3+])C(=O)OC(C)(C)C ZINC000079408503 363595232 /nfs/dbraw/zinc/59/52/32/363595232.db2.gz LCCCWMNESKHNAZ-ZDUSSCGKSA-N 2 2 285.432 2.055 40 0 CEABLP C[NH+](C)Cc1ccnc([C@H]2CCC[N@@H+]2Cc2ccccn2)n1 ZINC000257293816 190028457 /nfs/dbraw/zinc/02/84/57/190028457.db2.gz QRHGSEIQEOIAEH-MRXNPFEDSA-N 2 2 297.406 2.270 40 0 CEABLP C[NH+](C)Cc1ccnc([C@H]2CCC[N@H+]2Cc2ccccn2)n1 ZINC000257293816 190028458 /nfs/dbraw/zinc/02/84/58/190028458.db2.gz QRHGSEIQEOIAEH-MRXNPFEDSA-N 2 2 297.406 2.270 40 0 CEABLP c1ccc(C[N@@H+]2CCc3nc([C@H]4CCC[NH2+]4)ncc3C2)cc1 ZINC000019372339 361529505 /nfs/dbraw/zinc/52/95/05/361529505.db2.gz VMOKBFZFSYDDDQ-QGZVFWFLSA-N 2 2 294.402 2.459 40 0 CEABLP c1ccc(C[N@H+]2CCc3nc([C@H]4CCC[NH2+]4)ncc3C2)cc1 ZINC000019372339 361529514 /nfs/dbraw/zinc/52/95/14/361529514.db2.gz VMOKBFZFSYDDDQ-QGZVFWFLSA-N 2 2 294.402 2.459 40 0 CEABLP c1ccc2c(c1)[C@@H]1C[N@H+](CC3CC3)C[C@@H]1[C@H]2[NH+]1CCOCC1 ZINC000096058354 364400033 /nfs/dbraw/zinc/40/00/33/364400033.db2.gz JFFKPXSIPRWKCA-FHWLQOOXSA-N 2 2 298.430 2.499 40 0 CEABLP c1ccc2c(c1)[C@@H]1C[N@@H+](CC3CC3)C[C@@H]1[C@H]2[NH+]1CCOCC1 ZINC000096058354 364400043 /nfs/dbraw/zinc/40/00/43/364400043.db2.gz JFFKPXSIPRWKCA-FHWLQOOXSA-N 2 2 298.430 2.499 40 0 CEABLP Cc1cn(C)c([C@H]2CCC[N@H+](Cc3cnc(C)nc3)C2)[nH+]1 ZINC000257238171 190017922 /nfs/dbraw/zinc/01/79/22/190017922.db2.gz HJWJDRNPCMHCGK-HNNXBMFYSA-N 2 2 285.395 2.207 40 0 CEABLP Cc1cn(C)c([C@H]2CCC[N@@H+](Cc3cnc(C)nc3)C2)[nH+]1 ZINC000257238171 190017923 /nfs/dbraw/zinc/01/79/23/190017923.db2.gz HJWJDRNPCMHCGK-HNNXBMFYSA-N 2 2 285.395 2.207 40 0 CEABLP Cc1cn(C)c([C@@H]2CC[N@H+](Cc3csc(C)n3)C2)[nH+]1 ZINC000257297133 190029876 /nfs/dbraw/zinc/02/98/76/190029876.db2.gz RGAJMTQBBKDDOS-GFCCVEGCSA-N 2 2 276.409 2.483 40 0 CEABLP Cc1cn(C)c([C@@H]2CC[N@@H+](Cc3csc(C)n3)C2)[nH+]1 ZINC000257297133 190029877 /nfs/dbraw/zinc/02/98/77/190029877.db2.gz RGAJMTQBBKDDOS-GFCCVEGCSA-N 2 2 276.409 2.483 40 0 CEABLP Nc1ccc(-c2cc(C[C@H]3CCC[NH2+]CC3)ncn2)c[nH+]1 ZINC000072364783 176380059 /nfs/dbraw/zinc/38/00/59/176380059.db2.gz YBCVPTQOWRBLOB-LBPRGKRZSA-N 2 2 283.379 2.053 40 0 CEABLP CCN(CC)CC(C[NH+](CC)CC)[NH2+]CC(C)C ZINC000019365991 361528648 /nfs/dbraw/zinc/52/86/48/361528648.db2.gz OHZIXUGUPAZQAR-UHFFFAOYSA-N 2 2 257.466 2.284 40 0 CEABLP Cn1c2ccccc2nc1C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000096268578 364420707 /nfs/dbraw/zinc/42/07/07/364420707.db2.gz KORVTTKRNXMDIQ-SFHVURJKSA-N 2 2 298.434 2.491 40 0 CEABLP Cn1c2ccccc2nc1C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000096268578 364420712 /nfs/dbraw/zinc/42/07/12/364420712.db2.gz KORVTTKRNXMDIQ-SFHVURJKSA-N 2 2 298.434 2.491 40 0 CEABLP Cn1c2ccccc2nc1C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000096268578 364420718 /nfs/dbraw/zinc/42/07/18/364420718.db2.gz KORVTTKRNXMDIQ-SFHVURJKSA-N 2 2 298.434 2.491 40 0 CEABLP Cn1c2ccccc2nc1C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000096268578 364420724 /nfs/dbraw/zinc/42/07/24/364420724.db2.gz KORVTTKRNXMDIQ-SFHVURJKSA-N 2 2 298.434 2.491 40 0 CEABLP CCOc1cccc2c(N3CC[NH2+]CC3)cc[nH+]c12 ZINC000225321526 370289865 /nfs/dbraw/zinc/28/98/65/370289865.db2.gz NTASNNLKZVQQSK-UHFFFAOYSA-N 2 2 257.337 2.043 40 0 CEABLP Nc1ccc(-c2cnc(C[C@@H]3CCC[NH2+]CC3)cn2)c[nH+]1 ZINC000257300978 190029010 /nfs/dbraw/zinc/02/90/10/190029010.db2.gz RWLDOJSOWJOPFJ-GFCCVEGCSA-N 2 2 283.379 2.053 40 0 CEABLP CNc1cc([C@H]2CCCN2C(=O)CCn2cc[nH+]c2)cc[nH+]1 ZINC000257331595 190035317 /nfs/dbraw/zinc/03/53/17/190035317.db2.gz XTNLMYSFKVRYHM-CQSZACIVSA-N 2 2 299.378 2.074 40 0 CEABLP CC(C)[N@H+](C)C[C@H]1C[C@@H]2C[NH+](Cc3nccs3)C[C@@H]2O1 ZINC000096100361 394677048 /nfs/dbraw/zinc/67/70/48/394677048.db2.gz CQEPVOZBKYVDFX-MCIONIFRSA-N 2 2 295.452 2.073 40 0 CEABLP CC(C)[N@@H+](C)C[C@H]1C[C@@H]2C[NH+](Cc3nccs3)C[C@@H]2O1 ZINC000096100361 394677053 /nfs/dbraw/zinc/67/70/53/394677053.db2.gz CQEPVOZBKYVDFX-MCIONIFRSA-N 2 2 295.452 2.073 40 0 CEABLP CC(C)[NH+](C)C[C@H]1C[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]2O1 ZINC000096100361 394677055 /nfs/dbraw/zinc/67/70/55/394677055.db2.gz CQEPVOZBKYVDFX-MCIONIFRSA-N 2 2 295.452 2.073 40 0 CEABLP CC(C)[NH+](C)C[C@H]1C[C@@H]2C[N@@H+](Cc3nccs3)C[C@@H]2O1 ZINC000096100361 394677057 /nfs/dbraw/zinc/67/70/57/394677057.db2.gz CQEPVOZBKYVDFX-MCIONIFRSA-N 2 2 295.452 2.073 40 0 CEABLP Cc1cc(N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)nc[nH+]1 ZINC000359893613 155160637 /nfs/dbraw/zinc/16/06/37/155160637.db2.gz BBFNVPBISXVUNP-CALCHBBNSA-N 2 2 294.402 2.353 40 0 CEABLP Cc1cc(N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)nc[nH+]1 ZINC000359893613 155160640 /nfs/dbraw/zinc/16/06/40/155160640.db2.gz BBFNVPBISXVUNP-CALCHBBNSA-N 2 2 294.402 2.353 40 0 CEABLP CC(C)(C)OC(=O)N(C[C@@H]1CCCC[N@@H+]1CC[NH3+])C1CC1 ZINC000079408622 278377739 /nfs/dbraw/zinc/37/77/39/278377739.db2.gz LPRMAENLINKOFU-AWEZNQCLSA-N 2 2 297.443 2.199 40 0 CEABLP CC(C)(C)OC(=O)N(C[C@@H]1CCCC[N@H+]1CC[NH3+])C1CC1 ZINC000079408622 278377741 /nfs/dbraw/zinc/37/77/41/278377741.db2.gz LPRMAENLINKOFU-AWEZNQCLSA-N 2 2 297.443 2.199 40 0 CEABLP c1coc(C[NH+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)c1 ZINC000096053721 185074965 /nfs/dbraw/zinc/07/49/65/185074965.db2.gz BYTKRPZSTBUPQP-HOTGVXAUSA-N 2 2 283.375 2.238 40 0 CEABLP CC(C)N(C[C@@H]1CCC[N@H+](CC[NH3+])C1)C(=O)OC(C)(C)C ZINC000079408551 363596718 /nfs/dbraw/zinc/59/67/18/363596718.db2.gz JJNQSNCXQVERIK-CQSZACIVSA-N 2 2 299.459 2.303 40 0 CEABLP CC(C)N(C[C@@H]1CCC[N@@H+](CC[NH3+])C1)C(=O)OC(C)(C)C ZINC000079408551 363596725 /nfs/dbraw/zinc/59/67/25/363596725.db2.gz JJNQSNCXQVERIK-CQSZACIVSA-N 2 2 299.459 2.303 40 0 CEABLP CC[N@@H+](Cc1ccccc1)CC1CC[NH+](CC[NH3+])CC1 ZINC000079414623 363597559 /nfs/dbraw/zinc/59/75/59/363597559.db2.gz ZPRVFPIJDMMUSH-UHFFFAOYSA-N 3 2 275.440 2.179 40 0 CEABLP CC[N@H+](Cc1ccccc1)CC1CC[NH+](CC[NH3+])CC1 ZINC000079414623 363597562 /nfs/dbraw/zinc/59/75/62/363597562.db2.gz ZPRVFPIJDMMUSH-UHFFFAOYSA-N 3 2 275.440 2.179 40 0 CEABLP [NH3+]CC[NH2+][C@H](c1ccccc1)[C@@H](O)c1ccccc1 ZINC000019367690 361528501 /nfs/dbraw/zinc/52/85/01/361528501.db2.gz KSABEOZTQSQRBQ-CVEARBPZSA-N 2 2 256.349 2.010 40 0 CEABLP Cc1[nH+]ccn1-c1cc(C)[nH+]c(C2CC[NH2+]CC2)c1 ZINC000257281839 190025937 /nfs/dbraw/zinc/02/59/37/190025937.db2.gz ORFCRLONXUUPOS-UHFFFAOYSA-N 3 2 256.353 2.351 40 0 CEABLP Cc1nccn1-c1cc(C)[nH+]c(C2CC[NH2+]CC2)c1 ZINC000257281839 190025938 /nfs/dbraw/zinc/02/59/38/190025938.db2.gz ORFCRLONXUUPOS-UHFFFAOYSA-N 2 2 256.353 2.351 40 0 CEABLP Cc1cc(N2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)nc[nH+]1 ZINC000359893615 155161927 /nfs/dbraw/zinc/16/19/27/155161927.db2.gz BBFNVPBISXVUNP-IRXDYDNUSA-N 2 2 294.402 2.353 40 0 CEABLP c1coc(C[N@@H+]2CCC[C@@]3(C[C@@H](n4cc[nH+]c4)CO3)C2)c1 ZINC000107731331 186189361 /nfs/dbraw/zinc/18/93/61/186189361.db2.gz ODJOIXLINXIUPZ-GDBMZVCRSA-N 2 2 287.363 2.472 40 0 CEABLP c1coc(C[N@H+]2CCC[C@@]3(C[C@@H](n4cc[nH+]c4)CO3)C2)c1 ZINC000107731331 186189362 /nfs/dbraw/zinc/18/93/62/186189362.db2.gz ODJOIXLINXIUPZ-GDBMZVCRSA-N 2 2 287.363 2.472 40 0 CEABLP Cc1nc(N2CCC[NH2+]CC2)cc(-c2ccc(F)cc2)[nH+]1 ZINC000070458544 363085978 /nfs/dbraw/zinc/08/59/78/363085978.db2.gz CCNRXTCNMUFCCD-UHFFFAOYSA-N 2 2 286.354 2.391 40 0 CEABLP [NH3+]CC[N@H+](Cc1ccc(Br)cc1)C1CC1 ZINC000032116312 361730331 /nfs/dbraw/zinc/73/03/31/361730331.db2.gz SMQDZCSQIQPFIZ-UHFFFAOYSA-N 2 2 269.186 2.372 40 0 CEABLP [NH3+]CC[N@@H+](Cc1ccc(Br)cc1)C1CC1 ZINC000032116312 361730337 /nfs/dbraw/zinc/73/03/37/361730337.db2.gz SMQDZCSQIQPFIZ-UHFFFAOYSA-N 2 2 269.186 2.372 40 0 CEABLP COC[C@@H]1CCC2(CC[NH+](Cc3ccoc3)CC2)[N@@H+]1C ZINC000096208154 364410360 /nfs/dbraw/zinc/41/03/60/364410360.db2.gz AMUFGPXPRRJJOR-HNNXBMFYSA-N 2 2 278.396 2.355 40 0 CEABLP COC[C@@H]1CCC2(CC[NH+](Cc3ccoc3)CC2)[N@H+]1C ZINC000096208154 364410365 /nfs/dbraw/zinc/41/03/65/364410365.db2.gz AMUFGPXPRRJJOR-HNNXBMFYSA-N 2 2 278.396 2.355 40 0 CEABLP Cc1c[nH]c([C@@H]2CCCN(c3cc[nH+]c(C)n3)C2)[nH+]1 ZINC000257262614 371610183 /nfs/dbraw/zinc/61/01/83/371610183.db2.gz LMCKNAUMFGYMNF-GFCCVEGCSA-N 2 2 257.341 2.201 40 0 CEABLP Cc1ccc2c([nH+]1)N(C)CCN(c1cccc[nH+]1)C2 ZINC000096069214 281136875 /nfs/dbraw/zinc/13/68/75/281136875.db2.gz HQPMGIIUTGXZLW-UHFFFAOYSA-N 2 2 254.337 2.241 40 0 CEABLP CC[N@@H+]1CCOC[C@]2(CCC[NH+](Cc3ccccn3)C2)C1 ZINC000096049597 185073022 /nfs/dbraw/zinc/07/30/22/185073022.db2.gz WVUBZOQEFIPAAZ-QGZVFWFLSA-N 2 2 289.423 2.016 40 0 CEABLP CC[N@H+]1CCOC[C@]2(CCC[NH+](Cc3ccccn3)C2)C1 ZINC000096049597 185073023 /nfs/dbraw/zinc/07/30/23/185073023.db2.gz WVUBZOQEFIPAAZ-QGZVFWFLSA-N 2 2 289.423 2.016 40 0 CEABLP CC[NH+]1CCOC[C@]2(CCC[N@H+](Cc3ccccn3)C2)C1 ZINC000096049597 185073024 /nfs/dbraw/zinc/07/30/24/185073024.db2.gz WVUBZOQEFIPAAZ-QGZVFWFLSA-N 2 2 289.423 2.016 40 0 CEABLP CC[NH+]1CCOC[C@]2(CCC[N@@H+](Cc3ccccn3)C2)C1 ZINC000096049597 185073025 /nfs/dbraw/zinc/07/30/25/185073025.db2.gz WVUBZOQEFIPAAZ-QGZVFWFLSA-N 2 2 289.423 2.016 40 0 CEABLP c1[nH]c(C[NH+]2CCC3(C[C@@H](c4cccnc4)CO3)CC2)c[nH+]1 ZINC000096073008 185088821 /nfs/dbraw/zinc/08/88/21/185088821.db2.gz WXTBMCINQWCSHK-OAHLLOKOSA-N 2 2 298.390 2.343 40 0 CEABLP Cc1cc(N2CC[NH2+]CC2)nc(-c2cccc(F)c2)[nH+]1 ZINC000070451616 363084122 /nfs/dbraw/zinc/08/41/22/363084122.db2.gz JXXOWNHJBFQNAK-UHFFFAOYSA-N 2 2 272.327 2.001 40 0 CEABLP Cn1c2ccccc2[nH+]c1C[C@@H](C[NH3+])C(F)(F)F ZINC000575425885 366283918 /nfs/dbraw/zinc/28/39/18/366283918.db2.gz ZWQKOEBSSMTQLL-QMMMGPOBSA-N 2 2 257.259 2.253 40 0 CEABLP C[NH+](C)CC(C[NH+](C)C)C(=O)c1ccc(Cl)cc1 ZINC000001576480 361208996 /nfs/dbraw/zinc/20/89/96/361208996.db2.gz MNIVXQVWNQBUSH-UHFFFAOYSA-N 2 2 268.788 2.262 40 0 CEABLP CC(C)C[N@H+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC000096161604 364404807 /nfs/dbraw/zinc/40/48/07/364404807.db2.gz HVQGCDBJNSSMQV-GASCZTMLSA-N 2 2 259.397 2.101 40 0 CEABLP CC(C)C[N@@H+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC000096161604 364404808 /nfs/dbraw/zinc/40/48/08/364404808.db2.gz HVQGCDBJNSSMQV-GASCZTMLSA-N 2 2 259.397 2.101 40 0 CEABLP CC(C)C[NH+]1C[C@@H]2C[N@@H+](Cc3ccccn3)C[C@@H]2C1 ZINC000096161604 364404810 /nfs/dbraw/zinc/40/48/10/364404810.db2.gz HVQGCDBJNSSMQV-GASCZTMLSA-N 2 2 259.397 2.101 40 0 CEABLP CC(C)C[NH+]1C[C@@H]2C[N@H+](Cc3ccccn3)C[C@@H]2C1 ZINC000096161604 364404813 /nfs/dbraw/zinc/40/48/13/364404813.db2.gz HVQGCDBJNSSMQV-GASCZTMLSA-N 2 2 259.397 2.101 40 0 CEABLP CC[N@@H+]1C[C@@H](COC)[C@]2(CC[NH+](Cc3ccoc3)C2)C1 ZINC000096220065 364415290 /nfs/dbraw/zinc/41/52/90/364415290.db2.gz NLYQIEAQPCLCEY-JKSUJKDBSA-N 2 2 278.396 2.070 40 0 CEABLP CC[N@H+]1C[C@@H](COC)[C@]2(CC[NH+](Cc3ccoc3)C2)C1 ZINC000096220065 364415297 /nfs/dbraw/zinc/41/52/97/364415297.db2.gz NLYQIEAQPCLCEY-JKSUJKDBSA-N 2 2 278.396 2.070 40 0 CEABLP CC[NH+]1C[C@@H](COC)[C@]2(CC[N@H+](Cc3ccoc3)C2)C1 ZINC000096220065 364415301 /nfs/dbraw/zinc/41/53/01/364415301.db2.gz NLYQIEAQPCLCEY-JKSUJKDBSA-N 2 2 278.396 2.070 40 0 CEABLP CC[NH+]1C[C@@H](COC)[C@]2(CC[N@@H+](Cc3ccoc3)C2)C1 ZINC000096220065 364415308 /nfs/dbraw/zinc/41/53/08/364415308.db2.gz NLYQIEAQPCLCEY-JKSUJKDBSA-N 2 2 278.396 2.070 40 0 CEABLP C[C@H]1CCC[N@H+](CCCNC(=S)Nc2cc[nH+]cc2)C1 ZINC000225738234 370315224 /nfs/dbraw/zinc/31/52/24/370315224.db2.gz QQRWBQPMADYGAC-ZDUSSCGKSA-N 2 2 292.452 2.490 40 0 CEABLP C[C@H]1CCC[N@@H+](CCCNC(=S)Nc2cc[nH+]cc2)C1 ZINC000225738234 370315229 /nfs/dbraw/zinc/31/52/29/370315229.db2.gz QQRWBQPMADYGAC-ZDUSSCGKSA-N 2 2 292.452 2.490 40 0 CEABLP Cc1cccc(N2CCC[C@@H]([N@H+](C)Cc3cnccn3)C2)[nH+]1 ZINC000257283741 371611566 /nfs/dbraw/zinc/61/15/66/371611566.db2.gz OZRQOWPLUUNGFS-MRXNPFEDSA-N 2 2 297.406 2.281 40 0 CEABLP Cc1cccc(N2CCC[C@@H]([N@@H+](C)Cc3cnccn3)C2)[nH+]1 ZINC000257283741 371611571 /nfs/dbraw/zinc/61/15/71/371611571.db2.gz OZRQOWPLUUNGFS-MRXNPFEDSA-N 2 2 297.406 2.281 40 0 CEABLP Cc1c[nH]c([C@@H]2CC[N@H+](Cc3cccc(C)n3)C2)[nH+]1 ZINC000257314831 190032419 /nfs/dbraw/zinc/03/24/19/190032419.db2.gz UYQYGLOYQGJEBG-CYBMUJFWSA-N 2 2 256.353 2.411 40 0 CEABLP Cc1c[nH]c([C@@H]2CC[N@@H+](Cc3cccc(C)n3)C2)[nH+]1 ZINC000257314831 190032420 /nfs/dbraw/zinc/03/24/20/190032420.db2.gz UYQYGLOYQGJEBG-CYBMUJFWSA-N 2 2 256.353 2.411 40 0 CEABLP Cc1c[nH+]c([C@@H]2CC[N@H+](Cc3cccc(C)n3)C2)[nH]1 ZINC000257314831 190032421 /nfs/dbraw/zinc/03/24/21/190032421.db2.gz UYQYGLOYQGJEBG-CYBMUJFWSA-N 2 2 256.353 2.411 40 0 CEABLP Cc1c[nH+]c([C@@H]2CC[N@@H+](Cc3cccc(C)n3)C2)[nH]1 ZINC000257314831 190032422 /nfs/dbraw/zinc/03/24/22/190032422.db2.gz UYQYGLOYQGJEBG-CYBMUJFWSA-N 2 2 256.353 2.411 40 0 CEABLP Cc1c[nH]c([C@@H]2CCC[N@H+](Cc3cnc(C)nc3)C2)[nH+]1 ZINC000257336817 190036203 /nfs/dbraw/zinc/03/62/03/190036203.db2.gz YQDWZIKPSZRBOA-CQSZACIVSA-N 2 2 271.368 2.196 40 0 CEABLP Cc1c[nH]c([C@@H]2CCC[N@@H+](Cc3cnc(C)nc3)C2)[nH+]1 ZINC000257336817 190036204 /nfs/dbraw/zinc/03/62/04/190036204.db2.gz YQDWZIKPSZRBOA-CQSZACIVSA-N 2 2 271.368 2.196 40 0 CEABLP Cc1c[nH]c([C@H]2CC[N@@H+](Cc3nccn3C(C)C)C2)[nH+]1 ZINC000257341307 190037084 /nfs/dbraw/zinc/03/70/84/190037084.db2.gz ZJTUOMNAJHRKDQ-ZDUSSCGKSA-N 2 2 273.384 2.485 40 0 CEABLP Cc1c[nH]c([C@H]2CC[N@H+](Cc3nccn3C(C)C)C2)[nH+]1 ZINC000257341307 190037085 /nfs/dbraw/zinc/03/70/85/190037085.db2.gz ZJTUOMNAJHRKDQ-ZDUSSCGKSA-N 2 2 273.384 2.485 40 0 CEABLP C[C@@H](O)C[NH2+]CC[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000022074873 171351957 /nfs/dbraw/zinc/35/19/57/171351957.db2.gz MENDSAQVRNEADY-SECBINFHSA-N 2 2 277.195 2.053 40 0 CEABLP Cn1cc[nH+]c1CN1CC[C@@H]([NH+](C)C)[C@@H]1Cc1ccccc1 ZINC000096200798 364410092 /nfs/dbraw/zinc/41/00/92/364410092.db2.gz RBLGUNAWDUFKJY-SJORKVTESA-N 2 2 298.434 2.167 40 0 CEABLP C[NH+](C)Cc1ccnc([C@@H]2CCC[N@@H+]2Cc2cccnc2)n1 ZINC000257200976 190010568 /nfs/dbraw/zinc/01/05/68/190010568.db2.gz AFPSRUACCFZLDS-INIZCTEOSA-N 2 2 297.406 2.270 40 0 CEABLP C[NH+](C)Cc1ccnc([C@@H]2CCC[N@H+]2Cc2cccnc2)n1 ZINC000257200976 190010569 /nfs/dbraw/zinc/01/05/69/190010569.db2.gz AFPSRUACCFZLDS-INIZCTEOSA-N 2 2 297.406 2.270 40 0 CEABLP CC[NH+]1CCC([N@@H+]2CCC[C@H]2c2cncc(NC)n2)CC1 ZINC000257279022 190025444 /nfs/dbraw/zinc/02/54/44/190025444.db2.gz OERJLGCCLVYGMV-HNNXBMFYSA-N 2 2 289.427 2.140 40 0 CEABLP CC[NH+]1CCC([N@H+]2CCC[C@H]2c2cncc(NC)n2)CC1 ZINC000257279022 190025445 /nfs/dbraw/zinc/02/54/45/190025445.db2.gz OERJLGCCLVYGMV-HNNXBMFYSA-N 2 2 289.427 2.140 40 0 CEABLP Cc1c[nH]c([C@H]2CC[N@H+](Cc3ccc4c(c3)OCCO4)C2)[nH+]1 ZINC000257302311 190030122 /nfs/dbraw/zinc/03/01/22/190030122.db2.gz SCLOOZZVXGRDNI-AWEZNQCLSA-N 2 2 299.374 2.479 40 0 CEABLP Cc1c[nH]c([C@H]2CC[N@@H+](Cc3ccc4c(c3)OCCO4)C2)[nH+]1 ZINC000257302311 190030123 /nfs/dbraw/zinc/03/01/23/190030123.db2.gz SCLOOZZVXGRDNI-AWEZNQCLSA-N 2 2 299.374 2.479 40 0 CEABLP CC[NH+]1CCC([N@@H+]2CC[C@H](c3nc(C)cc(C)n3)C2)CC1 ZINC000257313417 190032094 /nfs/dbraw/zinc/03/20/94/190032094.db2.gz USHNNOOJYFGJOY-HNNXBMFYSA-N 2 2 288.439 2.367 40 0 CEABLP CC[NH+]1CCC([N@H+]2CC[C@H](c3nc(C)cc(C)n3)C2)CC1 ZINC000257313417 190032095 /nfs/dbraw/zinc/03/20/95/190032095.db2.gz USHNNOOJYFGJOY-HNNXBMFYSA-N 2 2 288.439 2.367 40 0 CEABLP CC[NH+]1CCC([N@@H+]2CCC[C@@H]2c2ccnc(C)n2)CC1 ZINC000257204931 279258678 /nfs/dbraw/zinc/25/86/78/279258678.db2.gz AWXRMTKEURLRIC-MRXNPFEDSA-N 2 2 274.412 2.406 40 0 CEABLP CC[NH+]1CCC([N@H+]2CCC[C@@H]2c2ccnc(C)n2)CC1 ZINC000257204931 279258679 /nfs/dbraw/zinc/25/86/79/279258679.db2.gz AWXRMTKEURLRIC-MRXNPFEDSA-N 2 2 274.412 2.406 40 0 CEABLP c1cn([C@@H]2CO[C@@]3(C2)CCC[N@@H+](Cc2cccnc2)C3)c[nH+]1 ZINC000096048565 185073288 /nfs/dbraw/zinc/07/32/88/185073288.db2.gz SVZHDVPNTPYDSM-DLBZAZTESA-N 2 2 298.390 2.274 40 0 CEABLP c1cn([C@@H]2CO[C@@]3(C2)CCC[N@H+](Cc2cccnc2)C3)c[nH+]1 ZINC000096048565 185073289 /nfs/dbraw/zinc/07/32/89/185073289.db2.gz SVZHDVPNTPYDSM-DLBZAZTESA-N 2 2 298.390 2.274 40 0 CEABLP CC(C)(C)OC(=O)N(C[C@H]1CCC[N@H+](CC[NH3+])C1)C1CC1 ZINC000079408644 363596702 /nfs/dbraw/zinc/59/67/02/363596702.db2.gz LOCTUXYHKFROTL-ZDUSSCGKSA-N 2 2 297.443 2.057 40 0 CEABLP CC(C)(C)OC(=O)N(C[C@H]1CCC[N@@H+](CC[NH3+])C1)C1CC1 ZINC000079408644 363596708 /nfs/dbraw/zinc/59/67/08/363596708.db2.gz LOCTUXYHKFROTL-ZDUSSCGKSA-N 2 2 297.443 2.057 40 0 CEABLP CC[C@@H](C)[N@H+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC000096161606 364404861 /nfs/dbraw/zinc/40/48/61/364404861.db2.gz NQIJXWNUFWUPJI-KFWWJZLASA-N 2 2 259.397 2.244 40 0 CEABLP CC[C@@H](C)[N@@H+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC000096161606 364404863 /nfs/dbraw/zinc/40/48/63/364404863.db2.gz NQIJXWNUFWUPJI-KFWWJZLASA-N 2 2 259.397 2.244 40 0 CEABLP CC[C@@H](C)[NH+]1C[C@H]2C[N@@H+](Cc3ccccn3)C[C@H]2C1 ZINC000096161606 364404865 /nfs/dbraw/zinc/40/48/65/364404865.db2.gz NQIJXWNUFWUPJI-KFWWJZLASA-N 2 2 259.397 2.244 40 0 CEABLP CC[C@@H](C)[NH+]1C[C@H]2C[N@H+](Cc3ccccn3)C[C@H]2C1 ZINC000096161606 364404867 /nfs/dbraw/zinc/40/48/67/364404867.db2.gz NQIJXWNUFWUPJI-KFWWJZLASA-N 2 2 259.397 2.244 40 0 CEABLP CCc1[nH]c(C[N@@H+]2CC[C@H](OC)[C@]3(CCCO3)C2)c(C)[nH+]1 ZINC000257242297 190018608 /nfs/dbraw/zinc/01/86/08/190018608.db2.gz IBVDZHVHYPERGI-HOCLYGCPSA-N 2 2 293.411 2.050 40 0 CEABLP CCc1[nH]c(C[N@H+]2CC[C@H](OC)[C@]3(CCCO3)C2)c(C)[nH+]1 ZINC000257242297 190018609 /nfs/dbraw/zinc/01/86/09/190018609.db2.gz IBVDZHVHYPERGI-HOCLYGCPSA-N 2 2 293.411 2.050 40 0 CEABLP CCC[N@@H+]1CCO[C@@H](c2cc(N(C)C)cc(C)[nH+]2)C1 ZINC000257243967 190019520 /nfs/dbraw/zinc/01/95/20/190019520.db2.gz IJIKSZCRRCBMAI-OAHLLOKOSA-N 2 2 263.385 2.239 40 0 CEABLP CCC[N@H+]1CCO[C@@H](c2cc(N(C)C)cc(C)[nH+]2)C1 ZINC000257243967 190019521 /nfs/dbraw/zinc/01/95/21/190019521.db2.gz IJIKSZCRRCBMAI-OAHLLOKOSA-N 2 2 263.385 2.239 40 0 CEABLP CC(C)c1[nH+]ccn1-c1cncc(C2CC[NH2+]CC2)n1 ZINC000072355924 176375698 /nfs/dbraw/zinc/37/56/98/176375698.db2.gz YNRMFXRSBJCKIZ-UHFFFAOYSA-N 2 2 271.368 2.253 40 0 CEABLP CNc1ncc(C[NH2+]CCCc2[nH]c3ccccc3[nH+]2)cn1 ZINC000062718694 343672644 /nfs/dbraw/zinc/67/26/44/343672644.db2.gz CFJNVMVCHMIOCX-UHFFFAOYSA-N 2 2 296.378 2.117 40 0 CEABLP CN(CC[NH2+]C[C@@H]1CCC[N@@H+]1C)Cc1cccc(Cl)c1 ZINC000019365066 361528179 /nfs/dbraw/zinc/52/81/79/361528179.db2.gz YDZPCHJOAHTNCR-INIZCTEOSA-N 2 2 295.858 2.456 40 0 CEABLP CN(CC[NH2+]C[C@@H]1CCC[N@H+]1C)Cc1cccc(Cl)c1 ZINC000019365066 361528184 /nfs/dbraw/zinc/52/81/84/361528184.db2.gz YDZPCHJOAHTNCR-INIZCTEOSA-N 2 2 295.858 2.456 40 0 CEABLP [NH3+]CC[N@H+](Cc1cccc(Br)c1)C1CC1 ZINC000032116311 361729754 /nfs/dbraw/zinc/72/97/54/361729754.db2.gz GITMEANUUGFABN-UHFFFAOYSA-N 2 2 269.186 2.372 40 0 CEABLP [NH3+]CC[N@@H+](Cc1cccc(Br)c1)C1CC1 ZINC000032116311 361729762 /nfs/dbraw/zinc/72/97/62/361729762.db2.gz GITMEANUUGFABN-UHFFFAOYSA-N 2 2 269.186 2.372 40 0 CEABLP CC[NH2+][C@@H]1CCOC2(CCN(c3cccc[nH+]3)CC2)C1 ZINC000257281220 371609791 /nfs/dbraw/zinc/60/97/91/371609791.db2.gz OODZRPZGJBACNI-CQSZACIVSA-N 2 2 275.396 2.209 40 0 CEABLP Cc1c[nH]c([C@H]2CC[N@H+](CC3(O)CCCCC3)C2)[nH+]1 ZINC000257238014 190017828 /nfs/dbraw/zinc/01/78/28/190017828.db2.gz HJFFKSZCTLBLIH-ZDUSSCGKSA-N 2 2 263.385 2.203 40 0 CEABLP Cc1c[nH]c([C@H]2CC[N@@H+](CC3(O)CCCCC3)C2)[nH+]1 ZINC000257238014 190017829 /nfs/dbraw/zinc/01/78/29/190017829.db2.gz HJFFKSZCTLBLIH-ZDUSSCGKSA-N 2 2 263.385 2.203 40 0 CEABLP C[NH+](C)Cc1cncc([C@H]2CCC[N@@H+]2Cc2ccncc2)n1 ZINC000257240653 190018907 /nfs/dbraw/zinc/01/89/07/190018907.db2.gz HUNMIEVAUBRWBG-QGZVFWFLSA-N 2 2 297.406 2.270 40 0 CEABLP C[NH+](C)Cc1cncc([C@H]2CCC[N@H+]2Cc2ccncc2)n1 ZINC000257240653 190018908 /nfs/dbraw/zinc/01/89/08/190018908.db2.gz HUNMIEVAUBRWBG-QGZVFWFLSA-N 2 2 297.406 2.270 40 0 CEABLP C[N@@H+]1C[C@H](c2ccccc2)[C@H]2CN(Cc3[nH]cc[nH+]3)CC[C@H]21 ZINC000257260921 190022439 /nfs/dbraw/zinc/02/24/39/190022439.db2.gz LFBMYKUOSNQUHU-BRWVUGGUSA-N 2 2 296.418 2.329 40 0 CEABLP C[N@H+]1C[C@H](c2ccccc2)[C@H]2CN(Cc3[nH]cc[nH+]3)CC[C@H]21 ZINC000257260921 190022440 /nfs/dbraw/zinc/02/24/40/190022440.db2.gz LFBMYKUOSNQUHU-BRWVUGGUSA-N 2 2 296.418 2.329 40 0 CEABLP COc1ccc([C@@H](C[NH3+])[N@@H+]2CCC[C@@H](C)C2)c(OC)c1 ZINC000022215176 171375571 /nfs/dbraw/zinc/37/55/71/171375571.db2.gz SBZBRJHTMRUIII-IUODEOHRSA-N 2 2 278.396 2.436 40 0 CEABLP COc1ccc([C@@H](C[NH3+])[N@H+]2CCC[C@@H](C)C2)c(OC)c1 ZINC000022215176 171375573 /nfs/dbraw/zinc/37/55/73/171375573.db2.gz SBZBRJHTMRUIII-IUODEOHRSA-N 2 2 278.396 2.436 40 0 CEABLP CC1CC[NH+]([C@H](C[NH3+])c2ccc3c(c2)CCO3)CC1 ZINC000037363612 173152800 /nfs/dbraw/zinc/15/28/00/173152800.db2.gz YVDHXORJDUXSIS-OAHLLOKOSA-N 2 2 260.381 2.353 40 0 CEABLP C[NH+](C)C[C@H]1Cn2cc[nH+]c2CN(Cc2ccsc2)C1 ZINC000096188185 364406887 /nfs/dbraw/zinc/40/68/87/364406887.db2.gz WKXARTMTHDZVOX-CQSZACIVSA-N 2 2 290.436 2.138 40 0 CEABLP Cc1cc(-c2ccc(N)[nH+]c2)cc([C@H]2CC[NH2+]C2)n1 ZINC000257209625 190012025 /nfs/dbraw/zinc/01/20/25/190012025.db2.gz BREQFUCHMMATRY-LBPRGKRZSA-N 2 2 254.337 2.111 40 0 CEABLP Cc1c[nH]c([C@H]2CCC[N@H+](Cc3[nH]cnc3C)C2)[nH+]1 ZINC000257283066 190026525 /nfs/dbraw/zinc/02/65/25/190026525.db2.gz OWQFAIRSPFEVBH-LBPRGKRZSA-N 2 2 259.357 2.129 40 0 CEABLP Cc1c[nH]c([C@H]2CCC[N@@H+](Cc3[nH]cnc3C)C2)[nH+]1 ZINC000257283066 190026526 /nfs/dbraw/zinc/02/65/26/190026526.db2.gz OWQFAIRSPFEVBH-LBPRGKRZSA-N 2 2 259.357 2.129 40 0 CEABLP CC(C)c1[nH+]ccn1-c1cncc([C@H]2CCC[NH2+]2)n1 ZINC000257318606 190033262 /nfs/dbraw/zinc/03/32/62/190033262.db2.gz VORQKQMWWWICMN-LLVKDONJSA-N 2 2 257.341 2.210 40 0 CEABLP CNc1cc([C@H]2CCC[N@H+](Cc3cnn(C)c3)C2)cc[nH+]1 ZINC000257323147 190034227 /nfs/dbraw/zinc/03/42/27/190034227.db2.gz WIYDBDDOFOOAHU-HNNXBMFYSA-N 2 2 285.395 2.236 40 0 CEABLP CNc1cc([C@H]2CCC[N@@H+](Cc3cnn(C)c3)C2)cc[nH+]1 ZINC000257323147 190034228 /nfs/dbraw/zinc/03/42/28/190034228.db2.gz WIYDBDDOFOOAHU-HNNXBMFYSA-N 2 2 285.395 2.236 40 0 CEABLP COc1ccc([C@H](C[NH3+])[N@@H+]2CCC[C@@H](C)C2)cc1OC ZINC000038808933 174156116 /nfs/dbraw/zinc/15/61/16/174156116.db2.gz KMKUYNUYBQBCBN-OCCSQVGLSA-N 2 2 278.396 2.436 40 0 CEABLP COc1ccc([C@H](C[NH3+])[N@H+]2CCC[C@@H](C)C2)cc1OC ZINC000038808933 174156117 /nfs/dbraw/zinc/15/61/17/174156117.db2.gz KMKUYNUYBQBCBN-OCCSQVGLSA-N 2 2 278.396 2.436 40 0 CEABLP Brc1ccc(C[NH2+][C@H]2CCC[NH2+]C2)cc1 ZINC000043324404 175007044 /nfs/dbraw/zinc/00/70/44/175007044.db2.gz HCKWREWOUDLNFM-LBPRGKRZSA-N 2 2 269.186 2.291 40 0 CEABLP Brc1cccc(C[NH2+][C@@H]2CCC[NH2+]C2)c1 ZINC000043327534 175009612 /nfs/dbraw/zinc/00/96/12/175009612.db2.gz WLMNLQFWBATCOW-GFCCVEGCSA-N 2 2 269.186 2.291 40 0 CEABLP c1ccc(N2CCC[C@@]3(CC[N@@H+]([C@H]4CCOC4)C3)C2)[nH+]c1 ZINC000253596880 275067684 /nfs/dbraw/zinc/06/76/84/275067684.db2.gz XHXQCHGEJUTSKP-RDJZCZTQSA-N 2 2 287.407 2.163 40 0 CEABLP c1ccc(N2CCC[C@@]3(CC[N@H+]([C@H]4CCOC4)C3)C2)[nH+]c1 ZINC000253596880 275067685 /nfs/dbraw/zinc/06/76/85/275067685.db2.gz XHXQCHGEJUTSKP-RDJZCZTQSA-N 2 2 287.407 2.163 40 0 CEABLP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+](Cc1cccnc1)C2 ZINC000096061778 185083040 /nfs/dbraw/zinc/08/30/40/185083040.db2.gz AQRQVDIXQMBOAT-UHFFFAOYSA-N 2 2 299.422 2.134 40 0 CEABLP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+](Cc1cccnc1)C2 ZINC000096061778 185083041 /nfs/dbraw/zinc/08/30/41/185083041.db2.gz AQRQVDIXQMBOAT-UHFFFAOYSA-N 2 2 299.422 2.134 40 0 CEABLP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+](Cc1cccnc1)C2 ZINC000096061778 185083042 /nfs/dbraw/zinc/08/30/42/185083042.db2.gz AQRQVDIXQMBOAT-UHFFFAOYSA-N 2 2 299.422 2.134 40 0 CEABLP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+](Cc1cccnc1)C2 ZINC000096061778 185083043 /nfs/dbraw/zinc/08/30/43/185083043.db2.gz AQRQVDIXQMBOAT-UHFFFAOYSA-N 2 2 299.422 2.134 40 0 CEABLP C[NH+](C)CC[C@@H]1CCOC12C[NH+](Cc1ccccc1F)C2 ZINC000248140249 371163815 /nfs/dbraw/zinc/16/38/15/371163815.db2.gz SYQPCZMLIRSWDA-OAHLLOKOSA-N 2 2 292.398 2.368 40 0 CEABLP Cn1cc[nH+]c1CNc1cccc(C2CC[NH+](C)CC2)n1 ZINC000072365424 176380375 /nfs/dbraw/zinc/38/03/75/176380375.db2.gz LKQMNENBOMTBDO-UHFFFAOYSA-N 2 2 285.395 2.236 40 0 CEABLP Cc1c[nH]c([C@@H]2CC[N@H+](CC3(O)CCCCC3)C2)[nH+]1 ZINC000257238013 280279118 /nfs/dbraw/zinc/27/91/18/280279118.db2.gz HJFFKSZCTLBLIH-CYBMUJFWSA-N 2 2 263.385 2.203 40 0 CEABLP Cc1c[nH]c([C@@H]2CC[N@@H+](CC3(O)CCCCC3)C2)[nH+]1 ZINC000257238013 280279120 /nfs/dbraw/zinc/27/91/20/280279120.db2.gz HJFFKSZCTLBLIH-CYBMUJFWSA-N 2 2 263.385 2.203 40 0 CEABLP COc1cccc([C@H](C[NH3+])[N@@H+]2CCC[C@H](C)C2)c1OC ZINC000036100775 361828367 /nfs/dbraw/zinc/82/83/67/361828367.db2.gz IBVVTNVBRHXFIS-JSGCOSHPSA-N 2 2 278.396 2.436 40 0 CEABLP COc1cccc([C@H](C[NH3+])[N@H+]2CCC[C@H](C)C2)c1OC ZINC000036100775 361828371 /nfs/dbraw/zinc/82/83/71/361828371.db2.gz IBVVTNVBRHXFIS-JSGCOSHPSA-N 2 2 278.396 2.436 40 0 CEABLP Cn1c2ccccc2[nH+]c1C[C@H](C[NH3+])C(F)(F)F ZINC000575425884 366284417 /nfs/dbraw/zinc/28/44/17/366284417.db2.gz ZWQKOEBSSMTQLL-MRVPVSSYSA-N 2 2 257.259 2.253 40 0 CEABLP CC[NH+](CC)CCC[NH2+]Cc1cnn(CC(F)(F)F)c1 ZINC000256050975 190003988 /nfs/dbraw/zinc/00/39/88/190003988.db2.gz HGEOOSURGXFVCW-UHFFFAOYSA-N 2 2 292.349 2.267 40 0 CEABLP Cc1cn(C)c([C@@H]2CCC[N@H+](Cc3[nH]cnc3C)C2)[nH+]1 ZINC000257272261 190023965 /nfs/dbraw/zinc/02/39/65/190023965.db2.gz NBRRDXRGHAQQFD-CYBMUJFWSA-N 2 2 273.384 2.140 40 0 CEABLP Cc1cn(C)c([C@@H]2CCC[N@@H+](Cc3[nH]cnc3C)C2)[nH+]1 ZINC000257272261 190023966 /nfs/dbraw/zinc/02/39/66/190023966.db2.gz NBRRDXRGHAQQFD-CYBMUJFWSA-N 2 2 273.384 2.140 40 0 CEABLP CC(C)[N@@H+]1CC[C@H](c2n[nH]cc2-c2cc[nH+]c(N)c2)C1 ZINC000257290440 190028024 /nfs/dbraw/zinc/02/80/24/190028024.db2.gz QCYUQGNILGDDAJ-LBPRGKRZSA-N 2 2 271.368 2.252 40 0 CEABLP CC(C)[N@H+]1CC[C@H](c2n[nH]cc2-c2cc[nH+]c(N)c2)C1 ZINC000257290440 190028025 /nfs/dbraw/zinc/02/80/25/190028025.db2.gz QCYUQGNILGDDAJ-LBPRGKRZSA-N 2 2 271.368 2.252 40 0 CEABLP CN(C)c1cc([C@@H]2CCC[N@H+](Cc3cnn(C)c3)C2)cc[nH+]1 ZINC000257314577 190032887 /nfs/dbraw/zinc/03/28/87/190032887.db2.gz UXOOSTUIZGVYKV-MRXNPFEDSA-N 2 2 299.422 2.261 40 0 CEABLP CN(C)c1cc([C@@H]2CCC[N@@H+](Cc3cnn(C)c3)C2)cc[nH+]1 ZINC000257314577 190032888 /nfs/dbraw/zinc/03/28/88/190032888.db2.gz UXOOSTUIZGVYKV-MRXNPFEDSA-N 2 2 299.422 2.261 40 0 CEABLP COc1ccc([C@@H](C[NH3+])[N@@H+]2CCC[C@@H](C)C2)cc1OC ZINC000216076875 394450628 /nfs/dbraw/zinc/45/06/28/394450628.db2.gz KMKUYNUYBQBCBN-TZMCWYRMSA-N 2 2 278.396 2.436 40 0 CEABLP COc1ccc([C@@H](C[NH3+])[N@H+]2CCC[C@@H](C)C2)cc1OC ZINC000216076875 394450637 /nfs/dbraw/zinc/45/06/37/394450637.db2.gz KMKUYNUYBQBCBN-TZMCWYRMSA-N 2 2 278.396 2.436 40 0 CEABLP CC(C)[NH+]1CCC(c2nccnc2-n2cc[nH+]c2)CC1 ZINC000072382197 176388163 /nfs/dbraw/zinc/38/81/63/176388163.db2.gz IBLZEOAMGNYJPT-UHFFFAOYSA-N 2 2 271.368 2.250 40 0 CEABLP C[N@@H+]1CCOCC12CC[NH+](Cc1cccs1)CC2 ZINC000096048899 185073245 /nfs/dbraw/zinc/07/32/45/185073245.db2.gz RNCUGQVVYJNKQG-UHFFFAOYSA-N 2 2 266.410 2.045 40 0 CEABLP C[N@H+]1CCOCC12CC[NH+](Cc1cccs1)CC2 ZINC000096048899 185073247 /nfs/dbraw/zinc/07/32/47/185073247.db2.gz RNCUGQVVYJNKQG-UHFFFAOYSA-N 2 2 266.410 2.045 40 0 CEABLP c1coc(C[N@@H+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)c1 ZINC000096053720 185074498 /nfs/dbraw/zinc/07/44/98/185074498.db2.gz BYTKRPZSTBUPQP-IYBDPMFKSA-N 2 2 283.375 2.238 40 0 CEABLP c1coc(C[N@H+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)c1 ZINC000096053720 185074500 /nfs/dbraw/zinc/07/45/00/185074500.db2.gz BYTKRPZSTBUPQP-IYBDPMFKSA-N 2 2 283.375 2.238 40 0 CEABLP c1coc(C[NH+]2C[C@H]3C[N@H+](Cc4cccnc4)C[C@H]3C2)c1 ZINC000096053720 185074502 /nfs/dbraw/zinc/07/45/02/185074502.db2.gz BYTKRPZSTBUPQP-IYBDPMFKSA-N 2 2 283.375 2.238 40 0 CEABLP c1coc(C[NH+]2C[C@H]3C[N@@H+](Cc4cccnc4)C[C@H]3C2)c1 ZINC000096053720 185074503 /nfs/dbraw/zinc/07/45/03/185074503.db2.gz BYTKRPZSTBUPQP-IYBDPMFKSA-N 2 2 283.375 2.238 40 0 CEABLP CC(C)[N@H+](C)Cc1cnc2n1CCN(c1cccc[nH+]1)CC2 ZINC000096067884 185085747 /nfs/dbraw/zinc/08/57/47/185085747.db2.gz WFCWKGBVQHYAAT-UHFFFAOYSA-N 2 2 299.422 2.181 40 0 CEABLP CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1cccc[nH+]1)CC2 ZINC000096067884 185085749 /nfs/dbraw/zinc/08/57/49/185085749.db2.gz WFCWKGBVQHYAAT-UHFFFAOYSA-N 2 2 299.422 2.181 40 0 CEABLP C[NH+](C)CC[C@H]1C[N@H+](Cc2ccccc2)Cc2ccnn21 ZINC000248132675 394537014 /nfs/dbraw/zinc/53/70/14/394537014.db2.gz QTOJHDPXPVGGJE-KRWDZBQOSA-N 2 2 284.407 2.392 40 0 CEABLP C[NH+](C)CC[C@H]1C[N@@H+](Cc2ccccc2)Cc2ccnn21 ZINC000248132675 394537016 /nfs/dbraw/zinc/53/70/16/394537016.db2.gz QTOJHDPXPVGGJE-KRWDZBQOSA-N 2 2 284.407 2.392 40 0 CEABLP CCc1[nH+]ccn1-c1cncc([C@H]2CCC[N@H+](C)C2)n1 ZINC000072355466 176375003 /nfs/dbraw/zinc/37/50/03/176375003.db2.gz OJSXZGGKDZJOIR-LBPRGKRZSA-N 2 2 271.368 2.034 40 0 CEABLP CCc1[nH+]ccn1-c1cncc([C@H]2CCC[N@@H+](C)C2)n1 ZINC000072355466 176375004 /nfs/dbraw/zinc/37/50/04/176375004.db2.gz OJSXZGGKDZJOIR-LBPRGKRZSA-N 2 2 271.368 2.034 40 0 CEABLP CC(C)N(CC1CC[NH+](CC[NH3+])CC1)C(=O)OC(C)(C)C ZINC000079408568 363596635 /nfs/dbraw/zinc/59/66/35/363596635.db2.gz MUZKVDADOKVQDG-UHFFFAOYSA-N 2 2 299.459 2.303 40 0 CEABLP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1cc2ccccc2[nH]c1=O ZINC000023247896 361596127 /nfs/dbraw/zinc/59/61/27/361596127.db2.gz DRSRDWJTYXPTQW-HNNXBMFYSA-N 2 2 285.391 2.102 40 0 CEABLP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1cc2ccccc2[nH]c1=O ZINC000023247896 361596130 /nfs/dbraw/zinc/59/61/30/361596130.db2.gz DRSRDWJTYXPTQW-HNNXBMFYSA-N 2 2 285.391 2.102 40 0 CEABLP COc1ccc([C@@H](C[NH3+])[N@@H+]2CCC[C@H](C)C2)c(OC)c1 ZINC000108349949 344264734 /nfs/dbraw/zinc/26/47/34/344264734.db2.gz SBZBRJHTMRUIII-SWLSCSKDSA-N 2 2 278.396 2.436 40 0 CEABLP COc1ccc([C@@H](C[NH3+])[N@H+]2CCC[C@H](C)C2)c(OC)c1 ZINC000108349949 344264736 /nfs/dbraw/zinc/26/47/36/344264736.db2.gz SBZBRJHTMRUIII-SWLSCSKDSA-N 2 2 278.396 2.436 40 0 CEABLP c1ccc(C[NH+]2C[C@H]3C[N@H+](CC4CCC4)C[C@H]3C2)nc1 ZINC000096161613 364404467 /nfs/dbraw/zinc/40/44/67/364404467.db2.gz DVPHUMCKBYJZRD-IYBDPMFKSA-N 2 2 271.408 2.245 40 0 CEABLP c1ccc(C[NH+]2C[C@H]3C[N@@H+](CC4CCC4)C[C@H]3C2)nc1 ZINC000096161613 364404469 /nfs/dbraw/zinc/40/44/69/364404469.db2.gz DVPHUMCKBYJZRD-IYBDPMFKSA-N 2 2 271.408 2.245 40 0 CEABLP c1ccc(C[N@@H+]2C[C@H]3C[NH+](CC4CCC4)C[C@H]3C2)nc1 ZINC000096161613 364404472 /nfs/dbraw/zinc/40/44/72/364404472.db2.gz DVPHUMCKBYJZRD-IYBDPMFKSA-N 2 2 271.408 2.245 40 0 CEABLP c1ccc(C[N@H+]2C[C@H]3C[NH+](CC4CCC4)C[C@H]3C2)nc1 ZINC000096161613 364404474 /nfs/dbraw/zinc/40/44/74/364404474.db2.gz DVPHUMCKBYJZRD-IYBDPMFKSA-N 2 2 271.408 2.245 40 0 CEABLP c1ccc(N2CC3(C2)CC[N@@H+](Cc2cccnc2)C3)[nH+]c1 ZINC000096202496 364411051 /nfs/dbraw/zinc/41/10/51/364411051.db2.gz CRDQBYDAQCSXTJ-UHFFFAOYSA-N 2 2 280.375 2.189 40 0 CEABLP c1ccc(N2CC3(C2)CC[N@H+](Cc2cccnc2)C3)[nH+]c1 ZINC000096202496 364411059 /nfs/dbraw/zinc/41/10/59/364411059.db2.gz CRDQBYDAQCSXTJ-UHFFFAOYSA-N 2 2 280.375 2.189 40 0 CEABLP CCn1cc(C[N@@H+]2CCC[C@H](c3[nH]cc(C)[nH+]3)C2)cn1 ZINC000257251164 190020165 /nfs/dbraw/zinc/02/01/65/190020165.db2.gz JPRYTVGHTSREFD-AWEZNQCLSA-N 2 2 273.384 2.314 40 0 CEABLP CCn1cc(C[N@H+]2CCC[C@H](c3[nH]cc(C)[nH+]3)C2)cn1 ZINC000257251164 190020166 /nfs/dbraw/zinc/02/01/66/190020166.db2.gz JPRYTVGHTSREFD-AWEZNQCLSA-N 2 2 273.384 2.314 40 0 CEABLP CNc1cc(C)[nH+]c([C@@H]2CC[N@H+](Cc3c[nH]cn3)C2)c1 ZINC000257274130 190025075 /nfs/dbraw/zinc/02/50/75/190025075.db2.gz NJRLTDPFJWPQDG-GFCCVEGCSA-N 2 2 271.368 2.144 40 0 CEABLP CNc1cc(C)[nH+]c([C@@H]2CC[N@@H+](Cc3c[nH]cn3)C2)c1 ZINC000257274130 190025076 /nfs/dbraw/zinc/02/50/76/190025076.db2.gz NJRLTDPFJWPQDG-GFCCVEGCSA-N 2 2 271.368 2.144 40 0 CEABLP CNc1cc(C)[nH+]c([C@@H]2CC[N@H+](Cc3cnc[nH]3)C2)c1 ZINC000257274130 190025077 /nfs/dbraw/zinc/02/50/77/190025077.db2.gz NJRLTDPFJWPQDG-GFCCVEGCSA-N 2 2 271.368 2.144 40 0 CEABLP CNc1cc(C)[nH+]c([C@@H]2CC[N@@H+](Cc3cnc[nH]3)C2)c1 ZINC000257274130 190025078 /nfs/dbraw/zinc/02/50/78/190025078.db2.gz NJRLTDPFJWPQDG-GFCCVEGCSA-N 2 2 271.368 2.144 40 0 CEABLP CCSc1ncc(C[NH2+]CCC[NH+](CC)CC)cn1 ZINC000062718360 394571196 /nfs/dbraw/zinc/57/11/96/394571196.db2.gz VQNYROIRWRCQJN-UHFFFAOYSA-N 2 2 282.457 2.410 40 0 CEABLP c1c(N2CCC[NH2+]CC2)nc(C2CC2)[nH+]c1C1CC1 ZINC000096517014 394694006 /nfs/dbraw/zinc/69/40/06/394694006.db2.gz YWHOASNBPZPESY-UHFFFAOYSA-N 2 2 258.369 2.031 40 0 CEABLP Cc1cc(NCC[NH3+])nc(-c2ccc(Cl)cc2)[nH+]1 ZINC000008731099 170351003 /nfs/dbraw/zinc/35/10/03/170351003.db2.gz FHHXRDNHRYDDNH-UHFFFAOYSA-N 2 2 262.744 2.476 40 0 CEABLP COc1ccc([C@H](C[NH3+])[NH+]2CCC(C)CC2)cc1OC ZINC000038808919 174156171 /nfs/dbraw/zinc/15/61/71/174156171.db2.gz YBNQCSUGMRKFHD-AWEZNQCLSA-N 2 2 278.396 2.436 40 0 CEABLP CC(C)c1[nH+]ccn1-c1cncc([C@H]2CCC[NH2+]C2)n1 ZINC000072355921 176375532 /nfs/dbraw/zinc/37/55/32/176375532.db2.gz GGKCDQHGSGMRMA-LBPRGKRZSA-N 2 2 271.368 2.253 40 0 CEABLP CC(C)[N@H+](C)Cc1n[nH]c2c1CC[NH+](CC1CC1)C2 ZINC000096084098 185092557 /nfs/dbraw/zinc/09/25/57/185092557.db2.gz HLUYRKGXJJWRJZ-UHFFFAOYSA-N 2 2 262.401 2.018 40 0 CEABLP CC(C)[N@@H+](C)Cc1n[nH]c2c1CC[NH+](CC1CC1)C2 ZINC000096084098 185092558 /nfs/dbraw/zinc/09/25/58/185092558.db2.gz HLUYRKGXJJWRJZ-UHFFFAOYSA-N 2 2 262.401 2.018 40 0 CEABLP CC(C)[NH+](C)Cc1n[nH]c2c1CC[N@H+](CC1CC1)C2 ZINC000096084098 185092559 /nfs/dbraw/zinc/09/25/59/185092559.db2.gz HLUYRKGXJJWRJZ-UHFFFAOYSA-N 2 2 262.401 2.018 40 0 CEABLP CC(C)[NH+](C)Cc1n[nH]c2c1CC[N@@H+](CC1CC1)C2 ZINC000096084098 185092560 /nfs/dbraw/zinc/09/25/60/185092560.db2.gz HLUYRKGXJJWRJZ-UHFFFAOYSA-N 2 2 262.401 2.018 40 0 CEABLP c1cn([C@H]2CO[C@@]3(C2)CCC[N@@H+](Cc2ccoc2)C3)c[nH+]1 ZINC000107731344 186189511 /nfs/dbraw/zinc/18/95/11/186189511.db2.gz RHHJWYHNAPOFFG-HZPDHXFCSA-N 2 2 287.363 2.472 40 0 CEABLP c1cn([C@H]2CO[C@@]3(C2)CCC[N@H+](Cc2ccoc2)C3)c[nH+]1 ZINC000107731344 186189512 /nfs/dbraw/zinc/18/95/12/186189512.db2.gz RHHJWYHNAPOFFG-HZPDHXFCSA-N 2 2 287.363 2.472 40 0 CEABLP COC[C@H]1CCC2(CC[NH+](Cc3ccoc3)CC2)[N@@H+]1C ZINC000096208155 364410863 /nfs/dbraw/zinc/41/08/63/364410863.db2.gz AMUFGPXPRRJJOR-OAHLLOKOSA-N 2 2 278.396 2.355 40 0 CEABLP COC[C@H]1CCC2(CC[NH+](Cc3ccoc3)CC2)[N@H+]1C ZINC000096208155 364410870 /nfs/dbraw/zinc/41/08/70/364410870.db2.gz AMUFGPXPRRJJOR-OAHLLOKOSA-N 2 2 278.396 2.355 40 0 CEABLP c1ccc(N2CCC[C@]3(CC[N@@H+]([C@H]4CCOC4)C3)C2)[nH+]c1 ZINC000107224775 364709148 /nfs/dbraw/zinc/70/91/48/364709148.db2.gz XHXQCHGEJUTSKP-DOTOQJQBSA-N 2 2 287.407 2.163 40 0 CEABLP c1ccc(N2CCC[C@]3(CC[N@H+]([C@H]4CCOC4)C3)C2)[nH+]c1 ZINC000107224775 364709156 /nfs/dbraw/zinc/70/91/56/364709156.db2.gz XHXQCHGEJUTSKP-DOTOQJQBSA-N 2 2 287.407 2.163 40 0 CEABLP C[NH+](C)Cc1ccnc([C@@H]2CCC[N@@H+]2Cc2ccccn2)n1 ZINC000257293815 190028246 /nfs/dbraw/zinc/02/82/46/190028246.db2.gz QRHGSEIQEOIAEH-INIZCTEOSA-N 2 2 297.406 2.270 40 0 CEABLP C[NH+](C)Cc1ccnc([C@@H]2CCC[N@H+]2Cc2ccccn2)n1 ZINC000257293815 190028247 /nfs/dbraw/zinc/02/82/47/190028247.db2.gz QRHGSEIQEOIAEH-INIZCTEOSA-N 2 2 297.406 2.270 40 0 CEABLP Cc1c[nH]c([C@H]2CCC[N@H+](Cc3cnc(C)nc3)C2)[nH+]1 ZINC000257336816 190036303 /nfs/dbraw/zinc/03/63/03/190036303.db2.gz YQDWZIKPSZRBOA-AWEZNQCLSA-N 2 2 271.368 2.196 40 0 CEABLP Cc1c[nH]c([C@H]2CCC[N@@H+](Cc3cnc(C)nc3)C2)[nH+]1 ZINC000257336816 190036304 /nfs/dbraw/zinc/03/63/04/190036304.db2.gz YQDWZIKPSZRBOA-AWEZNQCLSA-N 2 2 271.368 2.196 40 0 CEABLP COc1ccc(OC)c([C@H](C[NH3+])[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000022218433 171376707 /nfs/dbraw/zinc/37/67/07/171376707.db2.gz AXSOXHXUGNIETM-DOMZBBRYSA-N 2 2 278.396 2.436 40 0 CEABLP COc1ccc(OC)c([C@H](C[NH3+])[N@H+]2CCC[C@@H](C)C2)c1 ZINC000022218433 171376709 /nfs/dbraw/zinc/37/67/09/171376709.db2.gz AXSOXHXUGNIETM-DOMZBBRYSA-N 2 2 278.396 2.436 40 0 CEABLP C[C@@H]1CCC[N@@H+]([C@@H](C[NH3+])c2ccc3c(c2)CCO3)C1 ZINC000037363645 173152186 /nfs/dbraw/zinc/15/21/86/173152186.db2.gz KTBRIIPUKAOJDI-DOMZBBRYSA-N 2 2 260.381 2.353 40 0 CEABLP C[C@@H]1CCC[N@H+]([C@@H](C[NH3+])c2ccc3c(c2)CCO3)C1 ZINC000037363645 173152188 /nfs/dbraw/zinc/15/21/88/173152188.db2.gz KTBRIIPUKAOJDI-DOMZBBRYSA-N 2 2 260.381 2.353 40 0 CEABLP CC(C)c1[nH+]ccn1-c1cncc([C@@H]2CCC[NH2+]C2)n1 ZINC000072355920 176375774 /nfs/dbraw/zinc/37/57/74/176375774.db2.gz GGKCDQHGSGMRMA-GFCCVEGCSA-N 2 2 271.368 2.253 40 0 CEABLP C[C@H](O)C[NH2+]CC[NH2+]Cc1ccc(-c2ccccc2)cc1 ZINC000022076164 262344423 /nfs/dbraw/zinc/34/44/23/262344423.db2.gz WTCHOCAXOWBIAG-HNNXBMFYSA-N 2 2 284.403 2.414 40 0 CEABLP c1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4cccnc4)C[C@H]3C2)nc1 ZINC000096053738 185074898 /nfs/dbraw/zinc/07/48/98/185074898.db2.gz KKKJJFQEUFFWDH-CALCHBBNSA-N 2 2 294.402 2.040 40 0 CEABLP c1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4cccnc4)C[C@H]3C2)nc1 ZINC000096053738 185074899 /nfs/dbraw/zinc/07/48/99/185074899.db2.gz KKKJJFQEUFFWDH-CALCHBBNSA-N 2 2 294.402 2.040 40 0 CEABLP c1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)nc1 ZINC000096053738 185074900 /nfs/dbraw/zinc/07/49/00/185074900.db2.gz KKKJJFQEUFFWDH-CALCHBBNSA-N 2 2 294.402 2.040 40 0 CEABLP c1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)nc1 ZINC000096053738 185074901 /nfs/dbraw/zinc/07/49/01/185074901.db2.gz KKKJJFQEUFFWDH-CALCHBBNSA-N 2 2 294.402 2.040 40 0 CEABLP c1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccncc4)C[C@H]3C2)nc1 ZINC000096053804 185075668 /nfs/dbraw/zinc/07/56/68/185075668.db2.gz RICPREWXZGIYFW-CALCHBBNSA-N 2 2 294.402 2.040 40 0 CEABLP c1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccncc4)C[C@H]3C2)nc1 ZINC000096053804 185075669 /nfs/dbraw/zinc/07/56/69/185075669.db2.gz RICPREWXZGIYFW-CALCHBBNSA-N 2 2 294.402 2.040 40 0 CEABLP c1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccncc4)C[C@H]3C2)nc1 ZINC000096053804 185075672 /nfs/dbraw/zinc/07/56/72/185075672.db2.gz RICPREWXZGIYFW-CALCHBBNSA-N 2 2 294.402 2.040 40 0 CEABLP c1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccncc4)C[C@H]3C2)nc1 ZINC000096053804 185075674 /nfs/dbraw/zinc/07/56/74/185075674.db2.gz RICPREWXZGIYFW-CALCHBBNSA-N 2 2 294.402 2.040 40 0 CEABLP Cc1ccc(-c2nc(N3CC[NH2+]CC3)cc(C)[nH+]2)cc1 ZINC000006836985 361338802 /nfs/dbraw/zinc/33/88/02/361338802.db2.gz ZVVKRBYRLXAJPH-UHFFFAOYSA-N 2 2 268.364 2.170 40 0 CEABLP [NH3+]CC[NH2+][C@@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000019367687 361528775 /nfs/dbraw/zinc/52/87/75/361528775.db2.gz KSABEOZTQSQRBQ-JKSUJKDBSA-N 2 2 256.349 2.010 40 0 CEABLP C[NH+](C)CCNc1cc(N2CCc3ccccc3C2)[nH+]cn1 ZINC000240718451 370779757 /nfs/dbraw/zinc/77/97/57/370779757.db2.gz AOIYDGRFBMOPRY-UHFFFAOYSA-N 2 2 297.406 2.013 40 0 CEABLP c1nc2n(c1CNc1cccc[nH+]1)CC[N@@H+](CC1CC1)CC2 ZINC000096197120 364409346 /nfs/dbraw/zinc/40/93/46/364409346.db2.gz WPQQDAVTKDLJPS-UHFFFAOYSA-N 2 2 297.406 2.158 40 0 CEABLP c1nc2n(c1CNc1cccc[nH+]1)CC[N@H+](CC1CC1)CC2 ZINC000096197120 364409353 /nfs/dbraw/zinc/40/93/53/364409353.db2.gz WPQQDAVTKDLJPS-UHFFFAOYSA-N 2 2 297.406 2.158 40 0 CEABLP Cc1cn(C)c([C@H]2CC[N@H+](Cc3scnc3C)C2)[nH+]1 ZINC000257273529 190024423 /nfs/dbraw/zinc/02/44/23/190024423.db2.gz NGZGKIRIMXBYGV-LBPRGKRZSA-N 2 2 276.409 2.483 40 0 CEABLP Cc1cn(C)c([C@H]2CC[N@@H+](Cc3scnc3C)C2)[nH+]1 ZINC000257273529 190024424 /nfs/dbraw/zinc/02/44/24/190024424.db2.gz NGZGKIRIMXBYGV-LBPRGKRZSA-N 2 2 276.409 2.483 40 0 CEABLP Cc1[nH+]cc(-c2cc(C)nc([C@H]3CCC[N@H+](C)C3)n2)n1C ZINC000257295684 190028290 /nfs/dbraw/zinc/02/82/90/190028290.db2.gz QZLCODUGTMTZHK-ZDUSSCGKSA-N 2 2 285.395 2.303 40 0 CEABLP Cc1[nH+]cc(-c2cc(C)nc([C@H]3CCC[N@@H+](C)C3)n2)n1C ZINC000257295684 190028291 /nfs/dbraw/zinc/02/82/91/190028291.db2.gz QZLCODUGTMTZHK-ZDUSSCGKSA-N 2 2 285.395 2.303 40 0 CEABLP c1ccc(NC[C@H]2CO[C@@H]3C[N@@H+](C4CCCC4)C[C@H]23)[nH+]c1 ZINC000306126526 376539633 /nfs/dbraw/zinc/53/96/33/376539633.db2.gz DYINQGNQFIRBAU-NUEKZKHPSA-N 2 2 287.407 2.383 40 0 CEABLP c1ccc(NC[C@H]2CO[C@@H]3C[N@H+](C4CCCC4)C[C@H]23)[nH+]c1 ZINC000306126526 376539638 /nfs/dbraw/zinc/53/96/38/376539638.db2.gz DYINQGNQFIRBAU-NUEKZKHPSA-N 2 2 287.407 2.383 40 0 CEABLP CCc1[nH+]ccn1-c1cccc([C@@H]2CCC[NH2+]C2)n1 ZINC000072343719 176371912 /nfs/dbraw/zinc/37/19/12/176371912.db2.gz FQHSBOBDLUSACD-GFCCVEGCSA-N 2 2 256.353 2.297 40 0 CEABLP Cc1ccc(-c2cn3c4c(n(C)c3[nH+]2)CC[NH2+]C4)cc1 ZINC000306126863 278768225 /nfs/dbraw/zinc/76/82/25/278768225.db2.gz FHGPBATXUSEWLE-UHFFFAOYSA-N 2 2 266.348 2.294 40 0 CEABLP C[C@H]1CCC[N@@H+]([C@H](C[NH3+])c2ccc3c(c2)CCO3)C1 ZINC000108350019 344264857 /nfs/dbraw/zinc/26/48/57/344264857.db2.gz KTBRIIPUKAOJDI-SWLSCSKDSA-N 2 2 260.381 2.353 40 0 CEABLP C[C@H]1CCC[N@H+]([C@H](C[NH3+])c2ccc3c(c2)CCO3)C1 ZINC000108350019 344264860 /nfs/dbraw/zinc/26/48/60/344264860.db2.gz KTBRIIPUKAOJDI-SWLSCSKDSA-N 2 2 260.381 2.353 40 0 CEABLP COc1cccc([C@@H](C[NH3+])[N@@H+]2CCC[C@H](C)C2)c1OC ZINC000108349968 344264919 /nfs/dbraw/zinc/26/49/19/344264919.db2.gz IBVVTNVBRHXFIS-GXTWGEPZSA-N 2 2 278.396 2.436 40 0 CEABLP COc1cccc([C@@H](C[NH3+])[N@H+]2CCC[C@H](C)C2)c1OC ZINC000108349968 344264921 /nfs/dbraw/zinc/26/49/21/344264921.db2.gz IBVVTNVBRHXFIS-GXTWGEPZSA-N 2 2 278.396 2.436 40 0 CEABLP c1cn([C@H]2CO[C@@]3(C2)CCC[N@@H+](Cc2cccnc2)C3)c[nH+]1 ZINC000107731402 186189268 /nfs/dbraw/zinc/18/92/68/186189268.db2.gz SVZHDVPNTPYDSM-IAGOWNOFSA-N 2 2 298.390 2.274 40 0 CEABLP c1cn([C@H]2CO[C@@]3(C2)CCC[N@H+](Cc2cccnc2)C3)c[nH+]1 ZINC000107731402 186189270 /nfs/dbraw/zinc/18/92/70/186189270.db2.gz SVZHDVPNTPYDSM-IAGOWNOFSA-N 2 2 298.390 2.274 40 0 CEABLP CC(C)(C)OC(=O)N(C[C@@H]1CCC[N@H+](CC[NH3+])C1)C1CC1 ZINC000079408637 363597162 /nfs/dbraw/zinc/59/71/62/363597162.db2.gz LOCTUXYHKFROTL-CYBMUJFWSA-N 2 2 297.443 2.057 40 0 CEABLP CC(C)(C)OC(=O)N(C[C@@H]1CCC[N@@H+](CC[NH3+])C1)C1CC1 ZINC000079408637 363597168 /nfs/dbraw/zinc/59/71/68/363597168.db2.gz LOCTUXYHKFROTL-CYBMUJFWSA-N 2 2 297.443 2.057 40 0 CEABLP COc1cc(OC)cc([C@@H](C[NH3+])[NH+]2CCC(C)CC2)c1 ZINC000019840853 361561252 /nfs/dbraw/zinc/56/12/52/361561252.db2.gz HGVJAWYAYJJGDN-MRXNPFEDSA-N 2 2 278.396 2.436 40 0 CEABLP C[N@@H+]1CC[C@@]2(C1)CCC[C@H](CNc1cccc[nH+]1)O2 ZINC000096216918 364413100 /nfs/dbraw/zinc/41/31/00/364413100.db2.gz MKYVTTSWJAHNSI-UKRRQHHQSA-N 2 2 261.369 2.137 40 0 CEABLP C[N@H+]1CC[C@@]2(C1)CCC[C@H](CNc1cccc[nH+]1)O2 ZINC000096216918 364413108 /nfs/dbraw/zinc/41/31/08/364413108.db2.gz MKYVTTSWJAHNSI-UKRRQHHQSA-N 2 2 261.369 2.137 40 0 CEABLP Cc1ccc(C[N@H+]2CCc3c(C[NH+](C)C)[nH]nc3C2)s1 ZINC000096255836 364418818 /nfs/dbraw/zinc/41/88/18/364418818.db2.gz CZBGZKMRFGWLAQ-UHFFFAOYSA-N 2 2 290.436 2.400 40 0 CEABLP Cc1ccc(C[N@@H+]2CCc3c(C[NH+](C)C)[nH]nc3C2)s1 ZINC000096255836 364418821 /nfs/dbraw/zinc/41/88/21/364418821.db2.gz CZBGZKMRFGWLAQ-UHFFFAOYSA-N 2 2 290.436 2.400 40 0 CEABLP CNc1cc(C)[nH+]c([C@H]2CC[N@H+](Cc3c[nH]cn3)C2)c1 ZINC000257274131 190024953 /nfs/dbraw/zinc/02/49/53/190024953.db2.gz NJRLTDPFJWPQDG-LBPRGKRZSA-N 2 2 271.368 2.144 40 0 CEABLP CNc1cc(C)[nH+]c([C@H]2CC[N@@H+](Cc3c[nH]cn3)C2)c1 ZINC000257274131 190024954 /nfs/dbraw/zinc/02/49/54/190024954.db2.gz NJRLTDPFJWPQDG-LBPRGKRZSA-N 2 2 271.368 2.144 40 0 CEABLP CNc1cc(C)[nH+]c([C@H]2CC[N@H+](Cc3cnc[nH]3)C2)c1 ZINC000257274131 190024955 /nfs/dbraw/zinc/02/49/55/190024955.db2.gz NJRLTDPFJWPQDG-LBPRGKRZSA-N 2 2 271.368 2.144 40 0 CEABLP CNc1cc(C)[nH+]c([C@H]2CC[N@@H+](Cc3cnc[nH]3)C2)c1 ZINC000257274131 190024956 /nfs/dbraw/zinc/02/49/56/190024956.db2.gz NJRLTDPFJWPQDG-LBPRGKRZSA-N 2 2 271.368 2.144 40 0 CEABLP CC(C)c1[nH+]ccn1-c1cncc([C@@H]2CCC[NH2+]2)n1 ZINC000257318607 190033606 /nfs/dbraw/zinc/03/36/06/190033606.db2.gz VORQKQMWWWICMN-NSHDSACASA-N 2 2 257.341 2.210 40 0 CEABLP Cc1cc(NC2CC3(C2)CC[N@H+](CC2CC2)C3)nc[nH+]1 ZINC000257307762 394595596 /nfs/dbraw/zinc/59/55/96/394595596.db2.gz TUAAJFQBYMYEFG-UHFFFAOYSA-N 2 2 272.396 2.461 40 0 CEABLP Cc1cc(NC2CC3(C2)CC[N@@H+](CC2CC2)C3)nc[nH+]1 ZINC000257307762 394595599 /nfs/dbraw/zinc/59/55/99/394595599.db2.gz TUAAJFQBYMYEFG-UHFFFAOYSA-N 2 2 272.396 2.461 40 0 CEABLP COc1ccc([C@H](C[NH3+])[N@@H+]2CCC[C@@H](C)C2)c(OC)c1 ZINC000022215178 171375461 /nfs/dbraw/zinc/37/54/61/171375461.db2.gz SBZBRJHTMRUIII-DOMZBBRYSA-N 2 2 278.396 2.436 40 0 CEABLP COc1ccc([C@H](C[NH3+])[N@H+]2CCC[C@@H](C)C2)c(OC)c1 ZINC000022215178 171375463 /nfs/dbraw/zinc/37/54/63/171375463.db2.gz SBZBRJHTMRUIII-DOMZBBRYSA-N 2 2 278.396 2.436 40 0 CEABLP [NH3+]CCc1c[nH+]c(Cc2ccc(Br)cc2)[nH]1 ZINC000062716575 527195424 /nfs/dbraw/zinc/19/54/24/527195424.db2.gz PYLKNZIKGHWXCU-UHFFFAOYSA-N 2 2 280.169 2.264 40 0 CEABLP [NH3+]CCc1c[nH]c(Cc2ccc(Br)cc2)[nH+]1 ZINC000062716575 527195432 /nfs/dbraw/zinc/19/54/32/527195432.db2.gz PYLKNZIKGHWXCU-UHFFFAOYSA-N 2 2 280.169 2.264 40 0 CEABLP C(C1CCCCC1)[N@@H+]1CCC[C@@H]1c1nnc2n1CC[NH2+]C2 ZINC000019705504 361549263 /nfs/dbraw/zinc/54/92/63/361549263.db2.gz ZCCXUVULJFCERL-CQSZACIVSA-N 2 2 289.427 2.099 40 0 CEABLP C(C1CCCCC1)[N@H+]1CCC[C@@H]1c1nnc2n1CC[NH2+]C2 ZINC000019705504 361549266 /nfs/dbraw/zinc/54/92/66/361549266.db2.gz ZCCXUVULJFCERL-CQSZACIVSA-N 2 2 289.427 2.099 40 0 CEABLP Cc1c[nH]c([C@H]2CCCN(c3cc[nH+]c(C)n3)C2)[nH+]1 ZINC000257262615 371610885 /nfs/dbraw/zinc/61/08/85/371610885.db2.gz LMCKNAUMFGYMNF-LBPRGKRZSA-N 2 2 257.341 2.201 40 0 CEABLP Cc1cn(C)c([C@@H]2CCC[N@H+](Cc3cnc(C)nc3)C2)[nH+]1 ZINC000257238172 190017607 /nfs/dbraw/zinc/01/76/07/190017607.db2.gz HJWJDRNPCMHCGK-OAHLLOKOSA-N 2 2 285.395 2.207 40 0 CEABLP Cc1cn(C)c([C@@H]2CCC[N@@H+](Cc3cnc(C)nc3)C2)[nH+]1 ZINC000257238172 190017608 /nfs/dbraw/zinc/01/76/08/190017608.db2.gz HJWJDRNPCMHCGK-OAHLLOKOSA-N 2 2 285.395 2.207 40 0 CEABLP CCCNc1ncc(C[NH2+]CCC[NH+](CC)CC)cn1 ZINC000062718469 394571189 /nfs/dbraw/zinc/57/11/89/394571189.db2.gz UDFSWYPELFJQFP-UHFFFAOYSA-N 2 2 279.432 2.120 40 0 CEABLP C[C@H](O)C[NH2+]CC[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000022074875 171352292 /nfs/dbraw/zinc/35/22/92/171352292.db2.gz MENDSAQVRNEADY-VIFPVBQESA-N 2 2 277.195 2.053 40 0 CEABLP COCC[N@@H+]1CCC[C@H](c2cccc(-n3cc[nH+]c3)n2)C1 ZINC000072355536 176374872 /nfs/dbraw/zinc/37/48/72/176374872.db2.gz FEMVDCIXKLACHN-AWEZNQCLSA-N 2 2 286.379 2.093 40 0 CEABLP COCC[N@H+]1CCC[C@H](c2cccc(-n3cc[nH+]c3)n2)C1 ZINC000072355536 176374873 /nfs/dbraw/zinc/37/48/73/176374873.db2.gz FEMVDCIXKLACHN-AWEZNQCLSA-N 2 2 286.379 2.093 40 0 CEABLP Cn1c[nH+]cc1C1CC[NH+](CC2(O)CCCCC2)CC1 ZINC000072366727 176381817 /nfs/dbraw/zinc/38/18/17/176381817.db2.gz ZQUGZQXTIMIWOC-UHFFFAOYSA-N 2 2 277.412 2.295 40 0 CEABLP c1cn([C@@H]2CO[C@]3(C2)CCC[N@@H+](Cc2ccccn2)C3)c[nH+]1 ZINC000096048562 185072414 /nfs/dbraw/zinc/07/24/14/185072414.db2.gz DCZVGCNCDNMRRP-IRXDYDNUSA-N 2 2 298.390 2.274 40 0 CEABLP c1cn([C@@H]2CO[C@]3(C2)CCC[N@H+](Cc2ccccn2)C3)c[nH+]1 ZINC000096048562 185072415 /nfs/dbraw/zinc/07/24/15/185072415.db2.gz DCZVGCNCDNMRRP-IRXDYDNUSA-N 2 2 298.390 2.274 40 0 CEABLP c1cncc(C[NH+]2C[C@H]3C[N@H+](Cc4ccncc4)C[C@H]3C2)c1 ZINC000096053743 185074278 /nfs/dbraw/zinc/07/42/78/185074278.db2.gz GEEIIYLNXYZEPQ-HDICACEKSA-N 2 2 294.402 2.040 40 0 CEABLP c1cncc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccncc4)C[C@H]3C2)c1 ZINC000096053743 185074279 /nfs/dbraw/zinc/07/42/79/185074279.db2.gz GEEIIYLNXYZEPQ-HDICACEKSA-N 2 2 294.402 2.040 40 0 CEABLP c1cncc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccncc4)C[C@H]3C2)c1 ZINC000096053743 185074281 /nfs/dbraw/zinc/07/42/81/185074281.db2.gz GEEIIYLNXYZEPQ-HDICACEKSA-N 2 2 294.402 2.040 40 0 CEABLP c1cncc(C[N@H+]2C[C@H]3C[NH+](Cc4ccncc4)C[C@H]3C2)c1 ZINC000096053743 185074282 /nfs/dbraw/zinc/07/42/82/185074282.db2.gz GEEIIYLNXYZEPQ-HDICACEKSA-N 2 2 294.402 2.040 40 0 CEABLP c1coc(C[NH+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)c1 ZINC000096053777 185074820 /nfs/dbraw/zinc/07/48/20/185074820.db2.gz JEGHGWHLFFTGSN-GJZGRUSLSA-N 2 2 283.375 2.238 40 0 CEABLP c1c(C[NH+]2CCCCC2)nc2n1CC[N@@H+](CC1CC1)C2 ZINC000096059412 185080142 /nfs/dbraw/zinc/08/01/42/185080142.db2.gz LRCYAGQDNMOFED-UHFFFAOYSA-N 2 2 274.412 2.095 40 0 CEABLP c1c(C[NH+]2CCCCC2)nc2n1CC[N@H+](CC1CC1)C2 ZINC000096059412 185080143 /nfs/dbraw/zinc/08/01/43/185080143.db2.gz LRCYAGQDNMOFED-UHFFFAOYSA-N 2 2 274.412 2.095 40 0 CEABLP COCC[N@@H+]1CC[C@H]2C[NH+](Cc3ccc(C)o3)CC[C@H]21 ZINC000096099920 185098053 /nfs/dbraw/zinc/09/80/53/185098053.db2.gz RWDMXRINAFFJNY-GOEBONIOSA-N 2 2 278.396 2.131 40 0 CEABLP COCC[N@H+]1CC[C@H]2C[NH+](Cc3ccc(C)o3)CC[C@H]21 ZINC000096099920 185098054 /nfs/dbraw/zinc/09/80/54/185098054.db2.gz RWDMXRINAFFJNY-GOEBONIOSA-N 2 2 278.396 2.131 40 0 CEABLP COCC[NH+]1CC[C@H]2C[N@H+](Cc3ccc(C)o3)CC[C@H]21 ZINC000096099920 185098056 /nfs/dbraw/zinc/09/80/56/185098056.db2.gz RWDMXRINAFFJNY-GOEBONIOSA-N 2 2 278.396 2.131 40 0 CEABLP COCC[NH+]1CC[C@H]2C[N@@H+](Cc3ccc(C)o3)CC[C@H]21 ZINC000096099920 185098057 /nfs/dbraw/zinc/09/80/57/185098057.db2.gz RWDMXRINAFFJNY-GOEBONIOSA-N 2 2 278.396 2.131 40 0 CEABLP CNc1cc([C@H]2CCC[N@H+](Cc3ccccn3)C2)cc[nH+]1 ZINC000585181503 345009231 /nfs/dbraw/zinc/00/92/31/345009231.db2.gz UBORTOUMFMUNRX-HNNXBMFYSA-N 2 2 282.391 2.320 40 0 CEABLP CNc1cc([C@H]2CCC[N@@H+](Cc3ccccn3)C2)cc[nH+]1 ZINC000585181503 345009235 /nfs/dbraw/zinc/00/92/35/345009235.db2.gz UBORTOUMFMUNRX-HNNXBMFYSA-N 2 2 282.391 2.320 40 0 CEABLP c1coc(C[NH+]2CC[C@@H]3OCC[N@@H+](CC4CC4)[C@H]3CC2)c1 ZINC000107254924 364709464 /nfs/dbraw/zinc/70/94/64/364709464.db2.gz OXKNUNVMFCNJIV-IRXDYDNUSA-N 2 2 290.407 2.355 40 0 CEABLP c1coc(C[NH+]2CC[C@@H]3OCC[N@H+](CC4CC4)[C@H]3CC2)c1 ZINC000107254924 364709471 /nfs/dbraw/zinc/70/94/71/364709471.db2.gz OXKNUNVMFCNJIV-IRXDYDNUSA-N 2 2 290.407 2.355 40 0 CEABLP c1coc(C[N@H+]2CC[C@@H]3OCC[NH+](CC4CC4)[C@H]3CC2)c1 ZINC000107254924 364709475 /nfs/dbraw/zinc/70/94/75/364709475.db2.gz OXKNUNVMFCNJIV-IRXDYDNUSA-N 2 2 290.407 2.355 40 0 CEABLP c1coc(C[N@@H+]2CC[C@@H]3OCC[NH+](CC4CC4)[C@H]3CC2)c1 ZINC000107254924 364709478 /nfs/dbraw/zinc/70/94/78/364709478.db2.gz OXKNUNVMFCNJIV-IRXDYDNUSA-N 2 2 290.407 2.355 40 0 CEABLP CNc1cc([C@H]2CCC[N@H+](Cc3cncn3C)C2)cc[nH+]1 ZINC000257268921 190024023 /nfs/dbraw/zinc/02/40/23/190024023.db2.gz MNUPAMOMPBUFKL-AWEZNQCLSA-N 2 2 285.395 2.236 40 0 CEABLP CNc1cc([C@H]2CCC[N@@H+](Cc3cncn3C)C2)cc[nH+]1 ZINC000257268921 190024024 /nfs/dbraw/zinc/02/40/24/190024024.db2.gz MNUPAMOMPBUFKL-AWEZNQCLSA-N 2 2 285.395 2.236 40 0 CEABLP C[N@@H+]1C[C@@H]2C[NH+](C3CCCCC3)CCN2C(C)(C)C1 ZINC000253400856 394577781 /nfs/dbraw/zinc/57/77/81/394577781.db2.gz MBIZTNAYXGLTLO-OAHLLOKOSA-N 2 2 265.445 2.029 40 0 biogenic,in-vitro CEABLP C[N@H+]1C[C@@H]2C[NH+](C3CCCCC3)CCN2C(C)(C)C1 ZINC000253400856 394577785 /nfs/dbraw/zinc/57/77/85/394577785.db2.gz MBIZTNAYXGLTLO-OAHLLOKOSA-N 2 2 265.445 2.029 40 0 biogenic,in-vitro CEABLP C[NH+]1C[C@@H]2C[N@@H+](C3CCCCC3)CCN2C(C)(C)C1 ZINC000253400856 394577790 /nfs/dbraw/zinc/57/77/90/394577790.db2.gz MBIZTNAYXGLTLO-OAHLLOKOSA-N 2 2 265.445 2.029 40 0 biogenic,in-vitro CEABLP C[NH+]1C[C@@H]2C[N@H+](C3CCCCC3)CCN2C(C)(C)C1 ZINC000253400856 394577792 /nfs/dbraw/zinc/57/77/92/394577792.db2.gz MBIZTNAYXGLTLO-OAHLLOKOSA-N 2 2 265.445 2.029 40 0 biogenic,in-vitro CEABLP CC(C)[N@H+](CC[NH3+])Cc1ccc(Br)nc1 ZINC000079421575 394630966 /nfs/dbraw/zinc/63/09/66/394630966.db2.gz XTOORNRHUWOSDG-UHFFFAOYSA-N 2 2 272.190 2.013 40 0 CEABLP CC(C)[N@@H+](CC[NH3+])Cc1ccc(Br)nc1 ZINC000079421575 394630968 /nfs/dbraw/zinc/63/09/68/394630968.db2.gz XTOORNRHUWOSDG-UHFFFAOYSA-N 2 2 272.190 2.013 40 0 CEABLP CC[NH+](CC)[C@@H](C[NH3+])c1ccc(OC)cc1OC ZINC000038808905 174156724 /nfs/dbraw/zinc/15/67/24/174156724.db2.gz UYYJVSHOUGFOSX-ZDUSSCGKSA-N 2 2 252.358 2.045 40 0 CEABLP COCC[N@@H+]1CCC[C@@H](c2cccc(-n3cc[nH+]c3)n2)C1 ZINC000072355537 176374984 /nfs/dbraw/zinc/37/49/84/176374984.db2.gz FEMVDCIXKLACHN-CQSZACIVSA-N 2 2 286.379 2.093 40 0 CEABLP COCC[N@H+]1CCC[C@@H](c2cccc(-n3cc[nH+]c3)n2)C1 ZINC000072355537 176374985 /nfs/dbraw/zinc/37/49/85/176374985.db2.gz FEMVDCIXKLACHN-CQSZACIVSA-N 2 2 286.379 2.093 40 0 CEABLP [NH3+]C[C@@H]([NH3+])c1cc(Br)cc(Br)c1 ZINC000044472003 327134520 /nfs/dbraw/zinc/13/45/20/327134520.db2.gz SSQNWRFNXOLVKK-MRVPVSSYSA-N 2 2 293.990 2.170 40 0 CEABLP c1cn([C@@H]2CO[C@@]3(C2)CCC[N@@H+](Cc2ccoc2)C3)c[nH+]1 ZINC000096048549 185072378 /nfs/dbraw/zinc/07/23/78/185072378.db2.gz RHHJWYHNAPOFFG-JKSUJKDBSA-N 2 2 287.363 2.472 40 0 CEABLP c1cn([C@@H]2CO[C@@]3(C2)CCC[N@H+](Cc2ccoc2)C3)c[nH+]1 ZINC000096048549 185072379 /nfs/dbraw/zinc/07/23/79/185072379.db2.gz RHHJWYHNAPOFFG-JKSUJKDBSA-N 2 2 287.363 2.472 40 0 CEABLP c1cncc(C[NH+]2C[C@@H]3C[NH+](Cc4ccncc4)C[C@H]3C2)c1 ZINC000096053745 185074942 /nfs/dbraw/zinc/07/49/42/185074942.db2.gz GEEIIYLNXYZEPQ-ROUUACIJSA-N 2 2 294.402 2.040 40 0 CEABLP c1coc(C[NH+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)c1 ZINC000096053778 185074998 /nfs/dbraw/zinc/07/49/98/185074998.db2.gz JEGHGWHLFFTGSN-HUUCEWRRSA-N 2 2 283.375 2.238 40 0 CEABLP Cc1cc(OCC[N@@H+]2CCC[NH2+]CC2)ccc1Cl ZINC000041388999 362032095 /nfs/dbraw/zinc/03/20/95/362032095.db2.gz AIMNOKIOBQCUHC-UHFFFAOYSA-N 2 2 268.788 2.323 40 0 CEABLP Cc1cc(OCC[N@H+]2CCC[NH2+]CC2)ccc1Cl ZINC000041388999 362032102 /nfs/dbraw/zinc/03/21/02/362032102.db2.gz AIMNOKIOBQCUHC-UHFFFAOYSA-N 2 2 268.788 2.323 40 0 CEABLP Brc1ccccc1C[NH2+]C1CC[NH2+]CC1 ZINC000042419284 362093270 /nfs/dbraw/zinc/09/32/70/362093270.db2.gz NPBMAKGAKVHTCT-UHFFFAOYSA-N 2 2 269.186 2.291 40 0 CEABLP COc1cc(OC)cc([C@H](C[NH3+])[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000019840903 361561595 /nfs/dbraw/zinc/56/15/95/361561595.db2.gz MICPJGHFZAGIHR-WBMJQRKESA-N 2 2 278.396 2.436 40 0 CEABLP COc1cc(OC)cc([C@H](C[NH3+])[N@H+]2CCC[C@@H](C)C2)c1 ZINC000019840903 361561598 /nfs/dbraw/zinc/56/15/98/361561598.db2.gz MICPJGHFZAGIHR-WBMJQRKESA-N 2 2 278.396 2.436 40 0 CEABLP c1ccc(N2CCC[C@]3(CC[N@@H+]([C@@H]4CCOC4)C3)C2)[nH+]c1 ZINC000096216792 364413436 /nfs/dbraw/zinc/41/34/36/364413436.db2.gz XHXQCHGEJUTSKP-NVXWUHKLSA-N 2 2 287.407 2.163 40 0 CEABLP c1ccc(N2CCC[C@]3(CC[N@H+]([C@@H]4CCOC4)C3)C2)[nH+]c1 ZINC000096216792 364413437 /nfs/dbraw/zinc/41/34/37/364413437.db2.gz XHXQCHGEJUTSKP-NVXWUHKLSA-N 2 2 287.407 2.163 40 0 CEABLP S=C(NCCC[NH+]1CCCCC1)Nc1cc[nH+]cc1 ZINC000225411624 370292365 /nfs/dbraw/zinc/29/23/65/370292365.db2.gz GGNMPDISLPLITJ-UHFFFAOYSA-N 2 2 278.425 2.244 40 0 CEABLP CNc1cc([C@@H]2CCC[N@@H+]2C2CC[NH+](C)CC2)ccn1 ZINC000257288059 190026863 /nfs/dbraw/zinc/02/68/63/190026863.db2.gz PSQFEDQOAPGJOK-HNNXBMFYSA-N 2 2 274.412 2.354 40 0 CEABLP CNc1cc([C@@H]2CCC[N@H+]2C2CC[NH+](C)CC2)ccn1 ZINC000257288059 190026864 /nfs/dbraw/zinc/02/68/64/190026864.db2.gz PSQFEDQOAPGJOK-HNNXBMFYSA-N 2 2 274.412 2.354 40 0 CEABLP C[N@@H+]1C[C@H](c2ccccc2)[C@H]2CN(Cc3c[nH+]c[nH]3)CC[C@H]21 ZINC000257315175 394595399 /nfs/dbraw/zinc/59/53/99/394595399.db2.gz VAFMSOPWMWQPML-KZNAEPCWSA-N 2 2 296.418 2.329 40 0 CEABLP C[N@H+]1C[C@H](c2ccccc2)[C@H]2CN(Cc3c[nH+]c[nH]3)CC[C@H]21 ZINC000257315175 394595401 /nfs/dbraw/zinc/59/54/01/394595401.db2.gz VAFMSOPWMWQPML-KZNAEPCWSA-N 2 2 296.418 2.329 40 0 CEABLP C[C@@H]1CCC[N@@H+]([C@H](C[NH3+])c2ccc3c(c2)CCO3)C1 ZINC000242547703 400315162 /nfs/dbraw/zinc/31/51/62/400315162.db2.gz KTBRIIPUKAOJDI-IUODEOHRSA-N 2 2 260.381 2.353 40 0 CEABLP C[C@@H]1CCC[N@H+]([C@H](C[NH3+])c2ccc3c(c2)CCO3)C1 ZINC000242547703 400315165 /nfs/dbraw/zinc/31/51/65/400315165.db2.gz KTBRIIPUKAOJDI-IUODEOHRSA-N 2 2 260.381 2.353 40 0 CEABLP Cc1cc(N2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)nc[nH+]1 ZINC000359893614 155162622 /nfs/dbraw/zinc/16/26/22/155162622.db2.gz BBFNVPBISXVUNP-IAGOWNOFSA-N 2 2 294.402 2.353 40 0 CEABLP COc1cccc([C@@H](C[NH3+])[N@@H+]2CCC[C@@H](C)C2)c1OC ZINC000022165035 171365278 /nfs/dbraw/zinc/36/52/78/171365278.db2.gz IBVVTNVBRHXFIS-TZMCWYRMSA-N 2 2 278.396 2.436 40 0 CEABLP COc1cccc([C@@H](C[NH3+])[N@H+]2CCC[C@@H](C)C2)c1OC ZINC000022165035 171365280 /nfs/dbraw/zinc/36/52/80/171365280.db2.gz IBVVTNVBRHXFIS-TZMCWYRMSA-N 2 2 278.396 2.436 40 0 CEABLP Cc1[nH+]ccn1C[C@@H]1CCCN(c2cc(C)[nH+]cn2)C1 ZINC000072368993 282210872 /nfs/dbraw/zinc/21/08/72/282210872.db2.gz HIMWHMXKJYXREB-AWEZNQCLSA-N 2 2 271.368 2.207 40 0 CEABLP CNc1cc([C@H]2CCC[N@H+](Cc3ccn(C)n3)C2)cc[nH+]1 ZINC000257231902 190016852 /nfs/dbraw/zinc/01/68/52/190016852.db2.gz GIQNUHVJIBEEDY-AWEZNQCLSA-N 2 2 285.395 2.236 40 0 CEABLP CNc1cc([C@H]2CCC[N@@H+](Cc3ccn(C)n3)C2)cc[nH+]1 ZINC000257231902 190016853 /nfs/dbraw/zinc/01/68/53/190016853.db2.gz GIQNUHVJIBEEDY-AWEZNQCLSA-N 2 2 285.395 2.236 40 0 CEABLP Cc1c[nH]c([C@@H]2CCC[N@H+](Cc3[nH]cnc3C)C2)[nH+]1 ZINC000257283065 190025951 /nfs/dbraw/zinc/02/59/51/190025951.db2.gz OWQFAIRSPFEVBH-GFCCVEGCSA-N 2 2 259.357 2.129 40 0 CEABLP Cc1c[nH]c([C@@H]2CCC[N@@H+](Cc3[nH]cnc3C)C2)[nH+]1 ZINC000257283065 190025952 /nfs/dbraw/zinc/02/59/52/190025952.db2.gz OWQFAIRSPFEVBH-GFCCVEGCSA-N 2 2 259.357 2.129 40 0 CEABLP CNc1cc([C@@H]2CCC[N@H+](Cc3cnn(C)c3)C2)cc[nH+]1 ZINC000257323148 190034392 /nfs/dbraw/zinc/03/43/92/190034392.db2.gz WIYDBDDOFOOAHU-OAHLLOKOSA-N 2 2 285.395 2.236 40 0 CEABLP CNc1cc([C@@H]2CCC[N@@H+](Cc3cnn(C)c3)C2)cc[nH+]1 ZINC000257323148 190034393 /nfs/dbraw/zinc/03/43/93/190034393.db2.gz WIYDBDDOFOOAHU-OAHLLOKOSA-N 2 2 285.395 2.236 40 0 CEABLP Cc1c[nH]c([C@@H]2CC[N@@H+](Cc3nccn3C(C)C)C2)[nH+]1 ZINC000257341306 190037064 /nfs/dbraw/zinc/03/70/64/190037064.db2.gz ZJTUOMNAJHRKDQ-CYBMUJFWSA-N 2 2 273.384 2.485 40 0 CEABLP Cc1c[nH]c([C@@H]2CC[N@H+](Cc3nccn3C(C)C)C2)[nH+]1 ZINC000257341306 190037065 /nfs/dbraw/zinc/03/70/65/190037065.db2.gz ZJTUOMNAJHRKDQ-CYBMUJFWSA-N 2 2 273.384 2.485 40 0 CEABLP CNc1cc([C@@H]2CCC[N@H+](Cc3ccccn3)C2)cc[nH+]1 ZINC000585181505 345009173 /nfs/dbraw/zinc/00/91/73/345009173.db2.gz UBORTOUMFMUNRX-OAHLLOKOSA-N 2 2 282.391 2.320 40 0 CEABLP CNc1cc([C@@H]2CCC[N@@H+](Cc3ccccn3)C2)cc[nH+]1 ZINC000585181505 345009175 /nfs/dbraw/zinc/00/91/75/345009175.db2.gz UBORTOUMFMUNRX-OAHLLOKOSA-N 2 2 282.391 2.320 40 0 CEABLP c1cn([C@H]2CO[C@]3(C2)CCC[N@@H+](Cc2ccccn2)C3)c[nH+]1 ZINC000107731399 186189162 /nfs/dbraw/zinc/18/91/62/186189162.db2.gz DCZVGCNCDNMRRP-SJORKVTESA-N 2 2 298.390 2.274 40 0 CEABLP c1cn([C@H]2CO[C@]3(C2)CCC[N@H+](Cc2ccccn2)C3)c[nH+]1 ZINC000107731399 186189164 /nfs/dbraw/zinc/18/91/64/186189164.db2.gz DCZVGCNCDNMRRP-SJORKVTESA-N 2 2 298.390 2.274 40 0 CEABLP CC(C)(C)OC(=O)N(CC1CC[NH+](CC[NH3+])CC1)C1CC1 ZINC000079408646 363597517 /nfs/dbraw/zinc/59/75/17/363597517.db2.gz LYHKDGVADWOZHN-UHFFFAOYSA-N 2 2 297.443 2.057 40 0 CEABLP CC[NH+](CC)CCC[NH2+]Cc1cc(C(F)(F)F)nn1C ZINC000256049796 190002132 /nfs/dbraw/zinc/00/21/32/190002132.db2.gz BLUOQOBGOGRCEJ-UHFFFAOYSA-N 2 2 292.349 2.260 40 0 CEABLP CC[NH+](CC)CCC[NH2+]Cc1ccnn1CC(C)C ZINC000256050857 190003222 /nfs/dbraw/zinc/00/32/22/190003222.db2.gz GTABFULWBZKDJC-UHFFFAOYSA-N 2 2 266.433 2.361 40 0 CEABLP Nc1ccc(-c2ccc(C[C@H]3CCC[NH2+]CC3)nn2)c[nH+]1 ZINC000257264212 190022957 /nfs/dbraw/zinc/02/29/57/190022957.db2.gz LTJODRZPOZMVJW-LBPRGKRZSA-N 2 2 283.379 2.053 40 0 CEABLP Cc1cn(C)c([C@H]2CC[N@H+](Cc3cncs3)C2)[nH+]1 ZINC000257338795 190036927 /nfs/dbraw/zinc/03/69/27/190036927.db2.gz YZABAKPTYJKFSD-NSHDSACASA-N 2 2 262.382 2.175 40 0 CEABLP Cc1cn(C)c([C@H]2CC[N@@H+](Cc3cncs3)C2)[nH+]1 ZINC000257338795 190036928 /nfs/dbraw/zinc/03/69/28/190036928.db2.gz YZABAKPTYJKFSD-NSHDSACASA-N 2 2 262.382 2.175 40 0 CEABLP COc1ccccc1-c1c[nH+]c2n1C[C@@]1(CC[NH2+]C1)C2 ZINC000306140522 376541459 /nfs/dbraw/zinc/54/14/59/376541459.db2.gz UWAMYEUTSYLCGD-INIZCTEOSA-N 2 2 269.348 2.095 40 0 CEABLP COc1cc([NH+]2CCC3(CC[NH2+]CC3)CC2)ccc1N ZINC000498050917 400600982 /nfs/dbraw/zinc/60/09/82/400600982.db2.gz ORJHAMWXAXMVHC-UHFFFAOYSA-N 2 2 275.396 2.247 40 0 CEABLP COc1ccc([C@H](C[NH3+])[N@@H+]2CCC[C@H](C)C2)cc1OC ZINC000038808934 174156696 /nfs/dbraw/zinc/15/66/96/174156696.db2.gz KMKUYNUYBQBCBN-JSGCOSHPSA-N 2 2 278.396 2.436 40 0 CEABLP COc1ccc([C@H](C[NH3+])[N@H+]2CCC[C@H](C)C2)cc1OC ZINC000038808934 174156698 /nfs/dbraw/zinc/15/66/98/174156698.db2.gz KMKUYNUYBQBCBN-JSGCOSHPSA-N 2 2 278.396 2.436 40 0 CEABLP Brc1ccc(C[NH2+][C@@H]2CCC[NH2+]C2)cc1 ZINC000043324403 175007118 /nfs/dbraw/zinc/00/71/18/175007118.db2.gz HCKWREWOUDLNFM-GFCCVEGCSA-N 2 2 269.186 2.291 40 0 CEABLP c1cn([C@@H]2CO[C@]3(C2)CCC[N@@H+](Cc2ccoc2)C3)c[nH+]1 ZINC000096048548 185073142 /nfs/dbraw/zinc/07/31/42/185073142.db2.gz RHHJWYHNAPOFFG-HOTGVXAUSA-N 2 2 287.363 2.472 40 0 CEABLP c1cn([C@@H]2CO[C@]3(C2)CCC[N@H+](Cc2ccoc2)C3)c[nH+]1 ZINC000096048548 185073143 /nfs/dbraw/zinc/07/31/43/185073143.db2.gz RHHJWYHNAPOFFG-HOTGVXAUSA-N 2 2 287.363 2.472 40 0 CEABLP c1coc(C[NH+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)c1 ZINC000096053722 185074131 /nfs/dbraw/zinc/07/41/31/185074131.db2.gz BYTKRPZSTBUPQP-HZPDHXFCSA-N 2 2 283.375 2.238 40 0 CEABLP c1cc(C[N@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)co1 ZINC000096053782 185074879 /nfs/dbraw/zinc/07/48/79/185074879.db2.gz CVYSNAJBYFRQLK-IYBDPMFKSA-N 2 2 283.375 2.238 40 0 CEABLP c1cc(C[N@@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)co1 ZINC000096053782 185074880 /nfs/dbraw/zinc/07/48/80/185074880.db2.gz CVYSNAJBYFRQLK-IYBDPMFKSA-N 2 2 283.375 2.238 40 0 CEABLP c1cc(C[NH+]2C[C@@H]3C[N@@H+](Cc4ccccn4)C[C@@H]3C2)co1 ZINC000096053782 185074881 /nfs/dbraw/zinc/07/48/81/185074881.db2.gz CVYSNAJBYFRQLK-IYBDPMFKSA-N 2 2 283.375 2.238 40 0 CEABLP c1cc(C[NH+]2C[C@@H]3C[N@H+](Cc4ccccn4)C[C@@H]3C2)co1 ZINC000096053782 185074882 /nfs/dbraw/zinc/07/48/82/185074882.db2.gz CVYSNAJBYFRQLK-IYBDPMFKSA-N 2 2 283.375 2.238 40 0 CEABLP c1ccc(C[N@@H+]2CCc3nc([C@@H]4CCC[NH2+]4)ncc3C2)cc1 ZINC000019372342 361529136 /nfs/dbraw/zinc/52/91/36/361529136.db2.gz VMOKBFZFSYDDDQ-KRWDZBQOSA-N 2 2 294.402 2.459 40 0 CEABLP c1ccc(C[N@H+]2CCc3nc([C@@H]4CCC[NH2+]4)ncc3C2)cc1 ZINC000019372342 361529146 /nfs/dbraw/zinc/52/91/46/361529146.db2.gz VMOKBFZFSYDDDQ-KRWDZBQOSA-N 2 2 294.402 2.459 40 0 CEABLP Cc1[nH]c2ccc(NC(=O)CC3CC[NH2+]CC3)cc2[nH+]1 ZINC000038075488 174085850 /nfs/dbraw/zinc/08/58/50/174085850.db2.gz PBWFYCJLTJZDFU-UHFFFAOYSA-N 2 2 272.352 2.200 40 0 CEABLP CC[N@@H+]1CCOC[C@@]2(CCC[NH+](Cc3cccnc3)C2)C1 ZINC000096049600 185073081 /nfs/dbraw/zinc/07/30/81/185073081.db2.gz WSZUPJUTBFKXLZ-KRWDZBQOSA-N 2 2 289.423 2.016 40 0 CEABLP CC[N@H+]1CCOC[C@@]2(CCC[NH+](Cc3cccnc3)C2)C1 ZINC000096049600 185073082 /nfs/dbraw/zinc/07/30/82/185073082.db2.gz WSZUPJUTBFKXLZ-KRWDZBQOSA-N 2 2 289.423 2.016 40 0 CEABLP CC[NH+]1CCOC[C@@]2(CCC[N@H+](Cc3cccnc3)C2)C1 ZINC000096049600 185073083 /nfs/dbraw/zinc/07/30/83/185073083.db2.gz WSZUPJUTBFKXLZ-KRWDZBQOSA-N 2 2 289.423 2.016 40 0 CEABLP CC[NH+]1CCOC[C@@]2(CCC[N@@H+](Cc3cccnc3)C2)C1 ZINC000096049600 185073084 /nfs/dbraw/zinc/07/30/84/185073084.db2.gz WSZUPJUTBFKXLZ-KRWDZBQOSA-N 2 2 289.423 2.016 40 0 CEABLP C[C@H](C[NH2+]CC[NH+]1CCCCC1)C(=O)OC(C)(C)C ZINC000047219047 362201899 /nfs/dbraw/zinc/20/18/99/362201899.db2.gz XOFUWVXHOXLLON-CYBMUJFWSA-N 2 2 270.417 2.040 40 0 CEABLP c1cn([C@H]2CO[C@@]3(C2)CCC[N@@H+](Cc2ccncc2)C3)c[nH+]1 ZINC000107731411 186189185 /nfs/dbraw/zinc/18/91/85/186189185.db2.gz QDQCLGDBADXANC-IAGOWNOFSA-N 2 2 298.390 2.274 40 0 CEABLP c1cn([C@H]2CO[C@@]3(C2)CCC[N@H+](Cc2ccncc2)C3)c[nH+]1 ZINC000107731411 186189186 /nfs/dbraw/zinc/18/91/86/186189186.db2.gz QDQCLGDBADXANC-IAGOWNOFSA-N 2 2 298.390 2.274 40 0 CEABLP Cc1cccc(N2CCC[C@H]([N@H+](C)Cc3cnccn3)C2)[nH+]1 ZINC000257283740 371610328 /nfs/dbraw/zinc/61/03/28/371610328.db2.gz OZRQOWPLUUNGFS-INIZCTEOSA-N 2 2 297.406 2.281 40 0 CEABLP Cc1cccc(N2CCC[C@H]([N@@H+](C)Cc3cnccn3)C2)[nH+]1 ZINC000257283740 371610336 /nfs/dbraw/zinc/61/03/36/371610336.db2.gz OZRQOWPLUUNGFS-INIZCTEOSA-N 2 2 297.406 2.281 40 0 CEABLP Cc1c[nH]c([C@H]2CCC[N@@H+](Cc3cccn3C)C2)[nH+]1 ZINC000257257592 190021683 /nfs/dbraw/zinc/02/16/83/190021683.db2.gz KQHRQTRASQKBDO-ZDUSSCGKSA-N 2 2 258.369 2.436 40 0 CEABLP Cc1c[nH]c([C@H]2CCC[N@H+](Cc3cccn3C)C2)[nH+]1 ZINC000257257592 190021684 /nfs/dbraw/zinc/02/16/84/190021684.db2.gz KQHRQTRASQKBDO-ZDUSSCGKSA-N 2 2 258.369 2.436 40 0 CEABLP Cc1c[nH]c([C@H]2CC[N@H+](Cc3cccc(C)n3)C2)[nH+]1 ZINC000257314832 190032653 /nfs/dbraw/zinc/03/26/53/190032653.db2.gz UYQYGLOYQGJEBG-ZDUSSCGKSA-N 2 2 256.353 2.411 40 0 CEABLP Cc1c[nH]c([C@H]2CC[N@@H+](Cc3cccc(C)n3)C2)[nH+]1 ZINC000257314832 190032654 /nfs/dbraw/zinc/03/26/54/190032654.db2.gz UYQYGLOYQGJEBG-ZDUSSCGKSA-N 2 2 256.353 2.411 40 0 CEABLP Cc1c[nH+]c([C@H]2CC[N@H+](Cc3cccc(C)n3)C2)[nH]1 ZINC000257314832 190032655 /nfs/dbraw/zinc/03/26/55/190032655.db2.gz UYQYGLOYQGJEBG-ZDUSSCGKSA-N 2 2 256.353 2.411 40 0 CEABLP Cc1c[nH+]c([C@H]2CC[N@@H+](Cc3cccc(C)n3)C2)[nH]1 ZINC000257314832 190032656 /nfs/dbraw/zinc/03/26/56/190032656.db2.gz UYQYGLOYQGJEBG-ZDUSSCGKSA-N 2 2 256.353 2.411 40 0 CEABLP CCN(C[C@H]1CCCC[N@@H+]1CC[NH3+])C(=O)OC(C)(C)C ZINC000079408468 285082720 /nfs/dbraw/zinc/08/27/20/285082720.db2.gz VIFANLNRKDNXMO-CYBMUJFWSA-N 2 2 285.432 2.057 40 0 CEABLP CCN(C[C@H]1CCCC[N@H+]1CC[NH3+])C(=O)OC(C)(C)C ZINC000079408468 285082721 /nfs/dbraw/zinc/08/27/21/285082721.db2.gz VIFANLNRKDNXMO-CYBMUJFWSA-N 2 2 285.432 2.057 40 0 CEABLP COc1ccc(OC)c([C@@H](C[NH3+])[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000022218430 171376970 /nfs/dbraw/zinc/37/69/70/171376970.db2.gz AXSOXHXUGNIETM-IUODEOHRSA-N 2 2 278.396 2.436 40 0 CEABLP COc1ccc(OC)c([C@@H](C[NH3+])[N@H+]2CCC[C@@H](C)C2)c1 ZINC000022218430 171376973 /nfs/dbraw/zinc/37/69/73/171376973.db2.gz AXSOXHXUGNIETM-IUODEOHRSA-N 2 2 278.396 2.436 40 0 CEABLP C[C@H]1CCC[N@@H+]([C@@H](C[NH3+])c2ccc3c(c2)CCO3)C1 ZINC000037363647 173152295 /nfs/dbraw/zinc/15/22/95/173152295.db2.gz KTBRIIPUKAOJDI-WFASDCNBSA-N 2 2 260.381 2.353 40 0 CEABLP C[C@H]1CCC[N@H+]([C@@H](C[NH3+])c2ccc3c(c2)CCO3)C1 ZINC000037363647 173152297 /nfs/dbraw/zinc/15/22/97/173152297.db2.gz KTBRIIPUKAOJDI-WFASDCNBSA-N 2 2 260.381 2.353 40 0 CEABLP CC[N@H+](CC[NH3+])Cc1ccc(Br)cc1 ZINC000076663597 177049875 /nfs/dbraw/zinc/04/98/75/177049875.db2.gz QCNRQHVGQKCOQI-UHFFFAOYSA-N 2 2 257.175 2.230 40 0 CEABLP CC[N@@H+](CC[NH3+])Cc1ccc(Br)cc1 ZINC000076663597 177049877 /nfs/dbraw/zinc/04/98/77/177049877.db2.gz QCNRQHVGQKCOQI-UHFFFAOYSA-N 2 2 257.175 2.230 40 0 CEABLP C(C1CCCCC1)[N@@H+]1CCC[C@H]1c1nnc2n1CC[NH2+]C2 ZINC000019705505 275389991 /nfs/dbraw/zinc/38/99/91/275389991.db2.gz ZCCXUVULJFCERL-AWEZNQCLSA-N 2 2 289.427 2.099 40 0 CEABLP C(C1CCCCC1)[N@H+]1CCC[C@H]1c1nnc2n1CC[NH2+]C2 ZINC000019705505 275389992 /nfs/dbraw/zinc/38/99/92/275389992.db2.gz ZCCXUVULJFCERL-AWEZNQCLSA-N 2 2 289.427 2.099 40 0 CEABLP c1cc(C[NH+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)co1 ZINC000096053784 185074984 /nfs/dbraw/zinc/07/49/84/185074984.db2.gz CVYSNAJBYFRQLK-HOTGVXAUSA-N 2 2 283.375 2.238 40 0 CEABLP CC[NH+](CC)[C@H](C[NH3+])c1cc(OC)cc(OC)c1 ZINC000019840874 361560987 /nfs/dbraw/zinc/56/09/87/361560987.db2.gz JTGMSFFSSBPGRA-CQSZACIVSA-N 2 2 252.358 2.045 40 0 CEABLP Cc1ccc2cc(C[NH2+]CC[NH+]3CCCC3)c(=O)[nH]c2c1 ZINC000023247906 361596645 /nfs/dbraw/zinc/59/66/45/361596645.db2.gz FRNNTPMCWPFBRE-UHFFFAOYSA-N 2 2 285.391 2.022 40 0 CEABLP c1coc(C[N@H+]2C[C@@H]3COC[C@]3(CNc3cccc[nH+]3)C2)c1 ZINC000096220551 364414599 /nfs/dbraw/zinc/41/45/99/364414599.db2.gz PKNIGGQFKYXCPO-PBHICJAKSA-N 2 2 299.374 2.235 40 0 CEABLP c1coc(C[N@@H+]2C[C@@H]3COC[C@]3(CNc3cccc[nH+]3)C2)c1 ZINC000096220551 364414604 /nfs/dbraw/zinc/41/46/04/364414604.db2.gz PKNIGGQFKYXCPO-PBHICJAKSA-N 2 2 299.374 2.235 40 0 CEABLP CC[NH+](CC)CCC[NH2+]Cc1cnn(C(C)C)c1 ZINC000226237375 189769885 /nfs/dbraw/zinc/76/98/85/189769885.db2.gz INDIEIOJRWFITN-UHFFFAOYSA-N 2 2 252.406 2.286 40 0 CEABLP Cc1nc(C[N@@H+]2CCCC23CC[NH2+]CC3)cs1 ZINC000257688977 190038212 /nfs/dbraw/zinc/03/82/12/190038212.db2.gz MZEVXLMVCGOLBE-UHFFFAOYSA-N 2 2 251.399 2.170 40 0 CEABLP Cc1nc(C[N@H+]2CCCC23CC[NH2+]CC3)cs1 ZINC000257688977 190038213 /nfs/dbraw/zinc/03/82/13/190038213.db2.gz MZEVXLMVCGOLBE-UHFFFAOYSA-N 2 2 251.399 2.170 40 0 CEABLP COc1ccc(OC)c([C@@H](C[NH3+])[N@@H+]2CCC[C@H](C)C2)c1 ZINC000251578492 394568514 /nfs/dbraw/zinc/56/85/14/394568514.db2.gz AXSOXHXUGNIETM-SWLSCSKDSA-N 2 2 278.396 2.436 40 0 CEABLP COc1ccc(OC)c([C@@H](C[NH3+])[N@H+]2CCC[C@H](C)C2)c1 ZINC000251578492 394568519 /nfs/dbraw/zinc/56/85/19/394568519.db2.gz AXSOXHXUGNIETM-SWLSCSKDSA-N 2 2 278.396 2.436 40 0 CEABLP C(C[NH+]1CCOCC1)C[NH+]1CCC2(CCCC2)CC1 ZINC000001621347 361212348 /nfs/dbraw/zinc/21/23/48/361212348.db2.gz TXHAUPDLZCSJCY-UHFFFAOYSA-N 2 2 266.429 2.365 40 0 CEABLP CCOC[C@@H]1Cn2c[nH+]cc2C[N@H+](CC2CCC2)C1 ZINC000096207643 364410453 /nfs/dbraw/zinc/41/04/53/364410453.db2.gz KVWINNQXAXBOER-AWEZNQCLSA-N 2 2 263.385 2.152 40 0 CEABLP CCOC[C@@H]1Cn2c[nH+]cc2C[N@@H+](CC2CCC2)C1 ZINC000096207643 364410456 /nfs/dbraw/zinc/41/04/56/364410456.db2.gz KVWINNQXAXBOER-AWEZNQCLSA-N 2 2 263.385 2.152 40 0 CEABLP CC[N@@H+]1CCOC[C@@]2(CCC[NH+](Cc3ccncc3)C2)C1 ZINC000096049602 185072959 /nfs/dbraw/zinc/07/29/59/185072959.db2.gz ROSWHBLOMLYGJU-KRWDZBQOSA-N 2 2 289.423 2.016 40 0 CEABLP CC[N@H+]1CCOC[C@@]2(CCC[NH+](Cc3ccncc3)C2)C1 ZINC000096049602 185072962 /nfs/dbraw/zinc/07/29/62/185072962.db2.gz ROSWHBLOMLYGJU-KRWDZBQOSA-N 2 2 289.423 2.016 40 0 CEABLP CC[NH+]1CCOC[C@@]2(CCC[N@H+](Cc3ccncc3)C2)C1 ZINC000096049602 185072964 /nfs/dbraw/zinc/07/29/64/185072964.db2.gz ROSWHBLOMLYGJU-KRWDZBQOSA-N 2 2 289.423 2.016 40 0 CEABLP CC[NH+]1CCOC[C@@]2(CCC[N@@H+](Cc3ccncc3)C2)C1 ZINC000096049602 185072966 /nfs/dbraw/zinc/07/29/66/185072966.db2.gz ROSWHBLOMLYGJU-KRWDZBQOSA-N 2 2 289.423 2.016 40 0 CEABLP Cc1[nH+]cc(-c2cncc(C[C@@H]3CCC[N@H+](C)C3)n2)n1C ZINC000585260987 345009019 /nfs/dbraw/zinc/00/90/19/345009019.db2.gz HODHFHIALJDNHL-ZDUSSCGKSA-N 2 2 285.395 2.070 40 0 CEABLP Cc1[nH+]cc(-c2cncc(C[C@@H]3CCC[N@@H+](C)C3)n2)n1C ZINC000585260987 345009021 /nfs/dbraw/zinc/00/90/21/345009021.db2.gz HODHFHIALJDNHL-ZDUSSCGKSA-N 2 2 285.395 2.070 40 0 CEABLP Nc1ccc[nH+]c1N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000091352096 180137676 /nfs/dbraw/zinc/13/76/76/180137676.db2.gz VCOCTBVOMHSTTI-AWEZNQCLSA-N 2 2 268.364 2.350 40 0 CEABLP Nc1ccc[nH+]c1N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000091352096 180137678 /nfs/dbraw/zinc/13/76/78/180137678.db2.gz VCOCTBVOMHSTTI-AWEZNQCLSA-N 2 2 268.364 2.350 40 0 CEABLP c1cn([C@H]2CO[C@]3(C2)CCC[N@@H+](Cc2cccnc2)C3)c[nH+]1 ZINC000107731406 186188783 /nfs/dbraw/zinc/18/87/83/186188783.db2.gz SVZHDVPNTPYDSM-SJORKVTESA-N 2 2 298.390 2.274 40 0 CEABLP c1cn([C@H]2CO[C@]3(C2)CCC[N@H+](Cc2cccnc2)C3)c[nH+]1 ZINC000107731406 186188785 /nfs/dbraw/zinc/18/87/85/186188785.db2.gz SVZHDVPNTPYDSM-SJORKVTESA-N 2 2 298.390 2.274 40 0 CEABLP CC(C)[N@H+](CC[NH3+])Cc1ccnc(Br)c1 ZINC000079421620 363599494 /nfs/dbraw/zinc/59/94/94/363599494.db2.gz DQEBRPALZXHDQM-UHFFFAOYSA-N 2 2 272.190 2.013 40 0 CEABLP CC(C)[N@@H+](CC[NH3+])Cc1ccnc(Br)c1 ZINC000079421620 363599500 /nfs/dbraw/zinc/59/95/00/363599500.db2.gz DQEBRPALZXHDQM-UHFFFAOYSA-N 2 2 272.190 2.013 40 0 CEABLP Cc1cccc(CN2Cc3c[nH+]cn3[C@H](CC[NH+](C)C)C2)n1 ZINC000306123187 376537515 /nfs/dbraw/zinc/53/75/15/376537515.db2.gz AGTYSVBXJZZKFR-MRXNPFEDSA-N 2 2 299.422 2.095 40 0 CEABLP CCc1[nH+]ccn1-c1cncc([C@@H]2CCC[N@H+](C)C2)n1 ZINC000072355465 176374952 /nfs/dbraw/zinc/37/49/52/176374952.db2.gz OJSXZGGKDZJOIR-GFCCVEGCSA-N 2 2 271.368 2.034 40 0 CEABLP CCc1[nH+]ccn1-c1cncc([C@@H]2CCC[N@@H+](C)C2)n1 ZINC000072355465 176374954 /nfs/dbraw/zinc/37/49/54/176374954.db2.gz OJSXZGGKDZJOIR-GFCCVEGCSA-N 2 2 271.368 2.034 40 0 CEABLP c1cc(C[NH+]2CCC3(CC2)COCC[N@H+]3CC2CC2)co1 ZINC000096048913 185072595 /nfs/dbraw/zinc/07/25/95/185072595.db2.gz CKKYADADJGMRMP-UHFFFAOYSA-N 2 2 290.407 2.356 40 0 CEABLP c1cc(C[NH+]2CCC3(CC2)COCC[N@@H+]3CC2CC2)co1 ZINC000096048913 185072597 /nfs/dbraw/zinc/07/25/97/185072597.db2.gz CKKYADADJGMRMP-UHFFFAOYSA-N 2 2 290.407 2.356 40 0 CEABLP c1ccc(C[NH+]2C[C@H]3C[NH+](Cc4ccncc4)C[C@@H]3C2)nc1 ZINC000096053805 185076152 /nfs/dbraw/zinc/07/61/52/185076152.db2.gz RICPREWXZGIYFW-IAGOWNOFSA-N 2 2 294.402 2.040 40 0 CEABLP c1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4ccncc4)C[C@H]3C2)nc1 ZINC000096053806 185076362 /nfs/dbraw/zinc/07/63/62/185076362.db2.gz RICPREWXZGIYFW-IRXDYDNUSA-N 2 2 294.402 2.040 40 0 CEABLP Cc1[nH+]cc(-c2cncc(C[C@H]3CCC[N@H+](C)C3)n2)n1C ZINC000585260986 345009041 /nfs/dbraw/zinc/00/90/41/345009041.db2.gz HODHFHIALJDNHL-CYBMUJFWSA-N 2 2 285.395 2.070 40 0 CEABLP Cc1[nH+]cc(-c2cncc(C[C@H]3CCC[N@@H+](C)C3)n2)n1C ZINC000585260986 345009043 /nfs/dbraw/zinc/00/90/43/345009043.db2.gz HODHFHIALJDNHL-CYBMUJFWSA-N 2 2 285.395 2.070 40 0 CEABLP Cc1ccc(C(=O)C(C[NH+](C)C)C[NH+](C)C)cc1C ZINC000001580570 361210179 /nfs/dbraw/zinc/21/01/79/361210179.db2.gz IJFMPZNZNFHTBS-UHFFFAOYSA-N 2 2 262.397 2.226 40 0 CEABLP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CC[NH+]2CCCCC2)C1 ZINC000089065092 363927207 /nfs/dbraw/zinc/92/72/07/363927207.db2.gz MLNWEFINFSSSJQ-CQSZACIVSA-N 2 2 297.443 2.071 40 0 CEABLP Cc1cn(C)c([C@H]2CCC[N@H+](CC3CCOCC3)C2)[nH+]1 ZINC000257283413 190026069 /nfs/dbraw/zinc/02/60/69/190026069.db2.gz OYFCSSHXZGNDHJ-HNNXBMFYSA-N 2 2 277.412 2.335 40 0 CEABLP Cc1cn(C)c([C@H]2CCC[N@@H+](CC3CCOCC3)C2)[nH+]1 ZINC000257283413 190026070 /nfs/dbraw/zinc/02/60/70/190026070.db2.gz OYFCSSHXZGNDHJ-HNNXBMFYSA-N 2 2 277.412 2.335 40 0 CEABLP C[N@@H+](Cc1nc2ccccc2s1)C1CC[NH2+]CC1 ZINC000038090495 174104214 /nfs/dbraw/zinc/10/42/14/174104214.db2.gz SWVLJNFEVUHULS-UHFFFAOYSA-N 2 2 261.394 2.480 40 0 CEABLP C[N@H+](Cc1nc2ccccc2s1)C1CC[NH2+]CC1 ZINC000038090495 174104213 /nfs/dbraw/zinc/10/42/13/174104213.db2.gz SWVLJNFEVUHULS-UHFFFAOYSA-N 2 2 261.394 2.480 40 0 CEABLP CCc1[nH+]ccn1-c1nccnc1[C@H]1CCC[N@H+](C)C1 ZINC000072350496 176373400 /nfs/dbraw/zinc/37/34/00/176373400.db2.gz FFTLGYUFGDLTDH-LBPRGKRZSA-N 2 2 271.368 2.034 40 0 CEABLP CCc1[nH+]ccn1-c1nccnc1[C@H]1CCC[N@@H+](C)C1 ZINC000072350496 176373401 /nfs/dbraw/zinc/37/34/01/176373401.db2.gz FFTLGYUFGDLTDH-LBPRGKRZSA-N 2 2 271.368 2.034 40 0 CEABLP C[NH2+]CCCNc1cc[nH+]c2c(OC)cc(OC)cc12 ZINC000222682160 529971505 /nfs/dbraw/zinc/97/15/05/529971505.db2.gz RJFUJGMQHKPADS-UHFFFAOYSA-N 2 2 275.352 2.273 40 0 CEABLP CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CC[NH+]2CCCCC2)C1 ZINC000089065091 363926463 /nfs/dbraw/zinc/92/64/63/363926463.db2.gz MLNWEFINFSSSJQ-AWEZNQCLSA-N 2 2 297.443 2.071 40 0 CEABLP c1coc(C[NH+]2CC[C@H]3OCC[N@@H+](CC4CC4)[C@H]3CC2)c1 ZINC000096249303 364416103 /nfs/dbraw/zinc/41/61/03/364416103.db2.gz OXKNUNVMFCNJIV-DLBZAZTESA-N 2 2 290.407 2.355 40 0 CEABLP c1coc(C[NH+]2CC[C@H]3OCC[N@H+](CC4CC4)[C@H]3CC2)c1 ZINC000096249303 364416111 /nfs/dbraw/zinc/41/61/11/364416111.db2.gz OXKNUNVMFCNJIV-DLBZAZTESA-N 2 2 290.407 2.355 40 0 CEABLP c1coc(C[N@H+]2CC[C@H]3OCC[NH+](CC4CC4)[C@H]3CC2)c1 ZINC000096249303 364416119 /nfs/dbraw/zinc/41/61/19/364416119.db2.gz OXKNUNVMFCNJIV-DLBZAZTESA-N 2 2 290.407 2.355 40 0 CEABLP c1coc(C[N@@H+]2CC[C@H]3OCC[NH+](CC4CC4)[C@H]3CC2)c1 ZINC000096249303 364416123 /nfs/dbraw/zinc/41/61/23/364416123.db2.gz OXKNUNVMFCNJIV-DLBZAZTESA-N 2 2 290.407 2.355 40 0 CEABLP C[NH+](C)CC[C@@H]1C[N@H+](Cc2ccccc2)Cc2ccnn21 ZINC000248132679 371163254 /nfs/dbraw/zinc/16/32/54/371163254.db2.gz QTOJHDPXPVGGJE-QGZVFWFLSA-N 2 2 284.407 2.392 40 0 CEABLP C[NH+](C)CC[C@@H]1C[N@@H+](Cc2ccccc2)Cc2ccnn21 ZINC000248132679 371163257 /nfs/dbraw/zinc/16/32/57/371163257.db2.gz QTOJHDPXPVGGJE-QGZVFWFLSA-N 2 2 284.407 2.392 40 0 CEABLP c1ccc(C[NH+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)nc1 ZINC000096053739 185073968 /nfs/dbraw/zinc/07/39/68/185073968.db2.gz KKKJJFQEUFFWDH-IAGOWNOFSA-N 2 2 294.402 2.040 40 0 CEABLP CNc1cc(C)[nH+]c(N2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000074934138 363424089 /nfs/dbraw/zinc/42/40/89/363424089.db2.gz BAMIHPZAFQAOCN-UHFFFAOYSA-N 2 2 297.406 2.149 40 0 CEABLP CC(C)N(C[C@H]1CCC[N@H+](CC[NH3+])C1)C(=O)OC(C)(C)C ZINC000079408558 363597587 /nfs/dbraw/zinc/59/75/87/363597587.db2.gz JJNQSNCXQVERIK-AWEZNQCLSA-N 2 2 299.459 2.303 40 0 CEABLP CC(C)N(C[C@H]1CCC[N@@H+](CC[NH3+])C1)C(=O)OC(C)(C)C ZINC000079408558 363597589 /nfs/dbraw/zinc/59/75/89/363597589.db2.gz JJNQSNCXQVERIK-AWEZNQCLSA-N 2 2 299.459 2.303 40 0 CEABLP Cc1cccc(N2CCC[C@H]([N@@H+](C)Cc3ccn(C)n3)C2)[nH+]1 ZINC000257306720 371613147 /nfs/dbraw/zinc/61/31/47/371613147.db2.gz SVNJDDDMIBGTNR-INIZCTEOSA-N 2 2 299.422 2.224 40 0 CEABLP Cc1cccc(N2CCC[C@H]([N@H+](C)Cc3ccn(C)n3)C2)[nH+]1 ZINC000257306720 371613151 /nfs/dbraw/zinc/61/31/51/371613151.db2.gz SVNJDDDMIBGTNR-INIZCTEOSA-N 2 2 299.422 2.224 40 0 CEABLP Cc1cn(C)c([C@@H]2CCC[N@H+](CC3CCOCC3)C2)[nH+]1 ZINC000257283414 190026609 /nfs/dbraw/zinc/02/66/09/190026609.db2.gz OYFCSSHXZGNDHJ-OAHLLOKOSA-N 2 2 277.412 2.335 40 0 CEABLP Cc1cn(C)c([C@@H]2CCC[N@@H+](CC3CCOCC3)C2)[nH+]1 ZINC000257283414 190026610 /nfs/dbraw/zinc/02/66/10/190026610.db2.gz OYFCSSHXZGNDHJ-OAHLLOKOSA-N 2 2 277.412 2.335 40 0 CEABLP Cc1c[nH]c([C@@H]2CC[N@H+](Cc3ccc(C)nc3)C2)[nH+]1 ZINC000257326174 190034387 /nfs/dbraw/zinc/03/43/87/190034387.db2.gz WWCWWMDUJRFCHV-CQSZACIVSA-N 2 2 256.353 2.411 40 0 CEABLP Cc1c[nH]c([C@@H]2CC[N@@H+](Cc3ccc(C)nc3)C2)[nH+]1 ZINC000257326174 190034388 /nfs/dbraw/zinc/03/43/88/190034388.db2.gz WWCWWMDUJRFCHV-CQSZACIVSA-N 2 2 256.353 2.411 40 0 CEABLP COc1ccc([C@@H](C[NH3+])[N@@H+]2CCC[C@H](C)C2)cc1OC ZINC000108349938 344264993 /nfs/dbraw/zinc/26/49/93/344264993.db2.gz KMKUYNUYBQBCBN-GXTWGEPZSA-N 2 2 278.396 2.436 40 0 CEABLP COc1ccc([C@@H](C[NH3+])[N@H+]2CCC[C@H](C)C2)cc1OC ZINC000108349938 344264995 /nfs/dbraw/zinc/26/49/95/344264995.db2.gz KMKUYNUYBQBCBN-GXTWGEPZSA-N 2 2 278.396 2.436 40 0 CEABLP Cc1cc(N2CC[NH2+]CC2)nc(-c2ccc(F)cc2)[nH+]1 ZINC000058047076 362605798 /nfs/dbraw/zinc/60/57/98/362605798.db2.gz WVJLEWZUCCIGSK-UHFFFAOYSA-N 2 2 272.327 2.001 40 0 CEABLP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(F)cc3)CCN2C(C)(C)C1 ZINC000253409242 371516739 /nfs/dbraw/zinc/51/67/39/371516739.db2.gz ZVAQHYWVVSQAJL-MRXNPFEDSA-N 2 2 291.414 2.036 40 0 biogenic,in-vitro CEABLP C[N@H+]1C[C@@H]2C[NH+](Cc3ccc(F)cc3)CCN2C(C)(C)C1 ZINC000253409242 371516744 /nfs/dbraw/zinc/51/67/44/371516744.db2.gz ZVAQHYWVVSQAJL-MRXNPFEDSA-N 2 2 291.414 2.036 40 0 biogenic,in-vitro CEABLP C[NH+]1C[C@@H]2C[N@H+](Cc3ccc(F)cc3)CCN2C(C)(C)C1 ZINC000253409242 371516746 /nfs/dbraw/zinc/51/67/46/371516746.db2.gz ZVAQHYWVVSQAJL-MRXNPFEDSA-N 2 2 291.414 2.036 40 0 biogenic,in-vitro CEABLP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(F)cc3)CCN2C(C)(C)C1 ZINC000253409242 371516751 /nfs/dbraw/zinc/51/67/51/371516751.db2.gz ZVAQHYWVVSQAJL-MRXNPFEDSA-N 2 2 291.414 2.036 40 0 biogenic,in-vitro CEABLP CC[NH+](CC)CCC[NH2+]Cc1ccnn1C(C)C ZINC000256051870 190003879 /nfs/dbraw/zinc/00/38/79/190003879.db2.gz KUWVGCIVPKFHKE-UHFFFAOYSA-N 2 2 252.406 2.286 40 0 CEABLP Cc1cn(-c2cc[nH+]c([C@@H]3CCC[NH2+]C3)c2)c(C)[nH+]1 ZINC000257205595 190011785 /nfs/dbraw/zinc/01/17/85/190011785.db2.gz AZUBXXQNRMKMAP-CYBMUJFWSA-N 3 2 256.353 2.351 40 0 CEABLP Cc1cn(-c2ccnc([C@@H]3CCC[NH2+]C3)c2)c(C)[nH+]1 ZINC000257205595 190011786 /nfs/dbraw/zinc/01/17/86/190011786.db2.gz AZUBXXQNRMKMAP-CYBMUJFWSA-N 2 2 256.353 2.351 40 0 CEABLP Nc1ccc(-c2ccc(C[C@@H]3CCC[NH2+]CC3)nn2)c[nH+]1 ZINC000257264211 190023166 /nfs/dbraw/zinc/02/31/66/190023166.db2.gz LTJODRZPOZMVJW-GFCCVEGCSA-N 2 2 283.379 2.053 40 0 CEABLP CC[C@@H](C)[NH+]1CCC([NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000004744534 170010513 /nfs/dbraw/zinc/01/05/13/170010513.db2.gz ZIGZSNQDEOYGCI-MGPQQGTHSA-N 2 2 254.418 2.359 40 0 CEABLP COc1ccc(OC)c([C@H](C[NH3+])[N@@H+]2CCC[C@H](C)C2)c1 ZINC000036100764 361828191 /nfs/dbraw/zinc/82/81/91/361828191.db2.gz AXSOXHXUGNIETM-WFASDCNBSA-N 2 2 278.396 2.436 40 0 CEABLP COc1ccc(OC)c([C@H](C[NH3+])[N@H+]2CCC[C@H](C)C2)c1 ZINC000036100764 361828193 /nfs/dbraw/zinc/82/81/93/361828193.db2.gz AXSOXHXUGNIETM-WFASDCNBSA-N 2 2 278.396 2.436 40 0 CEABLP Oc1ccc(-c2[nH]c3ccc(N4CC[NH2+]CC4)cc3[nH+]2)cc1 ZINC000045206854 362160315 /nfs/dbraw/zinc/16/03/15/362160315.db2.gz ZSDZPOMFIUCIJA-UHFFFAOYSA-N 2 2 294.358 2.345 40 0 CEABLP CC(C)[N@H+](Cc1ccccc1)C1CC[NH+](CCO)CC1 ZINC000079414296 363597504 /nfs/dbraw/zinc/59/75/04/363597504.db2.gz QSZNNUKCOVZFMJ-UHFFFAOYSA-N 2 2 276.424 2.354 40 0 CEABLP CC(C)[N@@H+](Cc1ccccc1)C1CC[NH+](CCO)CC1 ZINC000079414296 363597506 /nfs/dbraw/zinc/59/75/06/363597506.db2.gz QSZNNUKCOVZFMJ-UHFFFAOYSA-N 2 2 276.424 2.354 40 0 CEABLP CN(CC[NH2+]C[C@H]1CCC[N@@H+]1C)Cc1cccc(Cl)c1 ZINC000019362059 361527579 /nfs/dbraw/zinc/52/75/79/361527579.db2.gz YDZPCHJOAHTNCR-MRXNPFEDSA-N 2 2 295.858 2.456 40 0 CEABLP CN(CC[NH2+]C[C@H]1CCC[N@H+]1C)Cc1cccc(Cl)c1 ZINC000019362059 361527584 /nfs/dbraw/zinc/52/75/84/361527584.db2.gz YDZPCHJOAHTNCR-MRXNPFEDSA-N 2 2 295.858 2.456 40 0 CEABLP CC(C)CC[N@H+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC000096161610 364404098 /nfs/dbraw/zinc/40/40/98/364404098.db2.gz XYHDXTJMCRZPQX-IYBDPMFKSA-N 2 2 273.424 2.491 40 0 CEABLP CC(C)CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC000096161610 364404103 /nfs/dbraw/zinc/40/41/03/364404103.db2.gz XYHDXTJMCRZPQX-IYBDPMFKSA-N 2 2 273.424 2.491 40 0 CEABLP CC(C)CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccn3)C[C@@H]2C1 ZINC000096161610 364404112 /nfs/dbraw/zinc/40/41/12/364404112.db2.gz XYHDXTJMCRZPQX-IYBDPMFKSA-N 2 2 273.424 2.491 40 0 CEABLP CC(C)CC[NH+]1C[C@@H]2C[N@H+](Cc3ccccn3)C[C@@H]2C1 ZINC000096161610 364404119 /nfs/dbraw/zinc/40/41/19/364404119.db2.gz XYHDXTJMCRZPQX-IYBDPMFKSA-N 2 2 273.424 2.491 40 0 CEABLP Cc1ccc(Nc2nc(N3CC[NH2+]CC3)cc(C)[nH+]2)cc1 ZINC000217507894 370197008 /nfs/dbraw/zinc/19/70/08/370197008.db2.gz KLCJVKZGDTWQFE-UHFFFAOYSA-N 2 2 283.379 2.247 40 0 CEABLP Cc1c[nH]c([C@H]2CC[N@@H+](Cc3csc(C)n3)C2)[nH+]1 ZINC000257203938 190011758 /nfs/dbraw/zinc/01/17/58/190011758.db2.gz ASGXJLRMKXTGCQ-NSHDSACASA-N 2 2 262.382 2.473 40 0 CEABLP Cc1c[nH]c([C@H]2CC[N@H+](Cc3csc(C)n3)C2)[nH+]1 ZINC000257203938 190011759 /nfs/dbraw/zinc/01/17/59/190011759.db2.gz ASGXJLRMKXTGCQ-NSHDSACASA-N 2 2 262.382 2.473 40 0 CEABLP Cc1[nH+]cc(-c2cc(C)nc([C@@H]3CCC[N@H+](C)C3)n2)n1C ZINC000257295683 190028673 /nfs/dbraw/zinc/02/86/73/190028673.db2.gz QZLCODUGTMTZHK-CYBMUJFWSA-N 2 2 285.395 2.303 40 0 CEABLP Cc1[nH+]cc(-c2cc(C)nc([C@@H]3CCC[N@@H+](C)C3)n2)n1C ZINC000257295683 190028674 /nfs/dbraw/zinc/02/86/74/190028674.db2.gz QZLCODUGTMTZHK-CYBMUJFWSA-N 2 2 285.395 2.303 40 0 CEABLP Cc1cn(C)c([C@@H]2CCC[N@H+](Cc3ccnc(C)n3)C2)[nH+]1 ZINC000257342606 190037020 /nfs/dbraw/zinc/03/70/20/190037020.db2.gz ZPKUHMHWWFJSIU-CQSZACIVSA-N 2 2 285.395 2.207 40 0 CEABLP Cc1cn(C)c([C@@H]2CCC[N@@H+](Cc3ccnc(C)n3)C2)[nH+]1 ZINC000257342606 190037021 /nfs/dbraw/zinc/03/70/21/190037021.db2.gz ZPKUHMHWWFJSIU-CQSZACIVSA-N 2 2 285.395 2.207 40 0 CEABLP CCc1[nH+]ccn1-c1cccc([C@H]2CCC[NH2+]C2)n1 ZINC000072343720 176372043 /nfs/dbraw/zinc/37/20/43/176372043.db2.gz FQHSBOBDLUSACD-LBPRGKRZSA-N 2 2 256.353 2.297 40 0 CEABLP CC(C)[C@@H]([NH3+])[C@@H]([NH3+])c1ccc(Br)cc1 ZINC000067794695 362924906 /nfs/dbraw/zinc/92/49/06/362924906.db2.gz FKHCYVRBONTCAI-MNOVXSKESA-N 2 2 257.175 2.432 40 0 CEABLP CCN(C[C@@H]1CCCC[N@@H+]1CC[NH3+])C(=O)OC(C)(C)C ZINC000079408462 285022446 /nfs/dbraw/zinc/02/24/46/285022446.db2.gz VIFANLNRKDNXMO-ZDUSSCGKSA-N 2 2 285.432 2.057 40 0 CEABLP CCN(C[C@@H]1CCCC[N@H+]1CC[NH3+])C(=O)OC(C)(C)C ZINC000079408462 285022450 /nfs/dbraw/zinc/02/24/50/285022450.db2.gz VIFANLNRKDNXMO-ZDUSSCGKSA-N 2 2 285.432 2.057 40 0 CEABLP CC1CC[NH+]([C@@H](C[NH3+])c2ccc3c(c2)CCO3)CC1 ZINC000037363610 173153245 /nfs/dbraw/zinc/15/32/45/173153245.db2.gz YVDHXORJDUXSIS-HNNXBMFYSA-N 2 2 260.381 2.353 40 0 CEABLP CC[N@@H+]1CCOC[C@]2(CCC[NH+](Cc3ccncc3)C2)C1 ZINC000096049601 185072319 /nfs/dbraw/zinc/07/23/19/185072319.db2.gz ROSWHBLOMLYGJU-QGZVFWFLSA-N 2 2 289.423 2.016 40 0 CEABLP CC[N@H+]1CCOC[C@]2(CCC[NH+](Cc3ccncc3)C2)C1 ZINC000096049601 185072320 /nfs/dbraw/zinc/07/23/20/185072320.db2.gz ROSWHBLOMLYGJU-QGZVFWFLSA-N 2 2 289.423 2.016 40 0 CEABLP CC[NH+]1CCOC[C@]2(CCC[N@H+](Cc3ccncc3)C2)C1 ZINC000096049601 185072321 /nfs/dbraw/zinc/07/23/21/185072321.db2.gz ROSWHBLOMLYGJU-QGZVFWFLSA-N 2 2 289.423 2.016 40 0 CEABLP CC[NH+]1CCOC[C@]2(CCC[N@@H+](Cc3ccncc3)C2)C1 ZINC000096049601 185072322 /nfs/dbraw/zinc/07/23/22/185072322.db2.gz ROSWHBLOMLYGJU-QGZVFWFLSA-N 2 2 289.423 2.016 40 0 CEABLP C[NH+]1CCC([N@@H+]2CC[C@H](c3nnc(C(C)(C)C)o3)C2)CC1 ZINC000049170648 362344453 /nfs/dbraw/zinc/34/44/53/362344453.db2.gz ZUIGYIUMPQDQQD-LBPRGKRZSA-N 2 2 292.427 2.251 40 0 biogenic,in-vitro CEABLP C[NH+]1CCC([N@H+]2CC[C@H](c3nnc(C(C)(C)C)o3)C2)CC1 ZINC000049170648 362344459 /nfs/dbraw/zinc/34/44/59/362344459.db2.gz ZUIGYIUMPQDQQD-LBPRGKRZSA-N 2 2 292.427 2.251 40 0 biogenic,in-vitro CEABLP CC[NH2+][C@H]1CCOC2(CCN(c3cccc[nH+]3)CC2)C1 ZINC000257281219 371611317 /nfs/dbraw/zinc/61/13/17/371611317.db2.gz OODZRPZGJBACNI-AWEZNQCLSA-N 2 2 275.396 2.209 40 0 CEABLP CC(C)c1[nH+]ccn1-c1nccnc1[C@H]1CCC[NH2+]1 ZINC000072356392 176375595 /nfs/dbraw/zinc/37/55/95/176375595.db2.gz OCDMERXEASPHHG-LLVKDONJSA-N 2 2 257.341 2.210 40 0 CEABLP Nc1ccc(-c2cc(C[C@@H]3CCC[NH2+]CC3)ncn2)c[nH+]1 ZINC000072364782 176379951 /nfs/dbraw/zinc/37/99/51/176379951.db2.gz YBCVPTQOWRBLOB-GFCCVEGCSA-N 2 2 283.379 2.053 40 0 CEABLP Cc1ccsc1C[N@@H+](Cc1c[nH+]cn1C)C[C@H](C)O ZINC000019238601 361523156 /nfs/dbraw/zinc/52/31/56/361523156.db2.gz CDVNIQYBWRRTCK-LBPRGKRZSA-N 2 2 279.409 2.173 40 0 CEABLP Cc1ccsc1C[N@H+](Cc1c[nH+]cn1C)C[C@H](C)O ZINC000019238601 361523160 /nfs/dbraw/zinc/52/31/60/361523160.db2.gz CDVNIQYBWRRTCK-LBPRGKRZSA-N 2 2 279.409 2.173 40 0 CEABLP CC[C@H](C)[N@H+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC000096161504 364403242 /nfs/dbraw/zinc/40/32/42/364403242.db2.gz ZSHXRWJNOGVFSR-CWRNSKLLSA-N 2 2 259.397 2.244 40 0 CEABLP CC[C@H](C)[N@@H+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC000096161504 364403248 /nfs/dbraw/zinc/40/32/48/364403248.db2.gz ZSHXRWJNOGVFSR-CWRNSKLLSA-N 2 2 259.397 2.244 40 0 CEABLP CC[C@H](C)[NH+]1C[C@H]2C[N@@H+](Cc3cccnc3)C[C@H]2C1 ZINC000096161504 364403255 /nfs/dbraw/zinc/40/32/55/364403255.db2.gz ZSHXRWJNOGVFSR-CWRNSKLLSA-N 2 2 259.397 2.244 40 0 CEABLP CC[C@H](C)[NH+]1C[C@H]2C[N@H+](Cc3cccnc3)C[C@H]2C1 ZINC000096161504 364403258 /nfs/dbraw/zinc/40/32/58/364403258.db2.gz ZSHXRWJNOGVFSR-CWRNSKLLSA-N 2 2 259.397 2.244 40 0 CEABLP CCCn1nccc1C[NH2+]CCC[NH+](CC)CC ZINC000159967499 366962350 /nfs/dbraw/zinc/96/23/50/366962350.db2.gz ZPJPAPVHEMMZFH-UHFFFAOYSA-N 2 2 252.406 2.115 40 0 CEABLP CNc1cc(C)[nH+]c([C@H]2CC[N@H+](Cc3ncc[nH]3)C2)c1 ZINC000257222817 190014417 /nfs/dbraw/zinc/01/44/17/190014417.db2.gz DUUGHUNLJCNBSS-LBPRGKRZSA-N 2 2 271.368 2.144 40 0 CEABLP CNc1cc(C)[nH+]c([C@H]2CC[N@@H+](Cc3ncc[nH]3)C2)c1 ZINC000257222817 190014418 /nfs/dbraw/zinc/01/44/18/190014418.db2.gz DUUGHUNLJCNBSS-LBPRGKRZSA-N 2 2 271.368 2.144 40 0 CEABLP Cc1c[nH]c([C@@H]2CC[N@H+](Cc3ccc4c(c3)OCCO4)C2)[nH+]1 ZINC000257302312 190030626 /nfs/dbraw/zinc/03/06/26/190030626.db2.gz SCLOOZZVXGRDNI-CQSZACIVSA-N 2 2 299.374 2.479 40 0 CEABLP Cc1c[nH]c([C@@H]2CC[N@@H+](Cc3ccc4c(c3)OCCO4)C2)[nH+]1 ZINC000257302312 190030627 /nfs/dbraw/zinc/03/06/27/190030627.db2.gz SCLOOZZVXGRDNI-CQSZACIVSA-N 2 2 299.374 2.479 40 0 CEABLP CCc1[nH+]ccn1-c1ccnc([C@@H]2CCC[NH2+]C2)c1 ZINC000257329559 190034505 /nfs/dbraw/zinc/03/45/05/190034505.db2.gz XKLVVYSERLPWMC-GFCCVEGCSA-N 2 2 256.353 2.297 40 0 CEABLP CCc1[nH+]ccn1-c1cc[nH+]c([C@@H]2CCC[NH2+]C2)c1 ZINC000257329559 190034506 /nfs/dbraw/zinc/03/45/06/190034506.db2.gz XKLVVYSERLPWMC-GFCCVEGCSA-N 3 2 256.353 2.297 40 0 CEABLP CC[NH+](CC)C[C@H]1CN(Cc2cccnc2)Cc2c[nH+]cn21 ZINC000306123960 376541320 /nfs/dbraw/zinc/54/13/20/376541320.db2.gz BBINDFYVDVZQBQ-KRWDZBQOSA-N 2 2 299.422 2.177 40 0 CEABLP Cn1cc(C[N@@H+]2CCC[C@]3(CC[NH+](CC4CC4)C3)C2)cn1 ZINC000096100149 279336154 /nfs/dbraw/zinc/33/61/54/279336154.db2.gz ILIIEBSWRGWCIF-KRWDZBQOSA-N 2 2 288.439 2.118 40 0 CEABLP Cn1cc(C[N@H+]2CCC[C@]3(CC[NH+](CC4CC4)C3)C2)cn1 ZINC000096100149 279336158 /nfs/dbraw/zinc/33/61/58/279336158.db2.gz ILIIEBSWRGWCIF-KRWDZBQOSA-N 2 2 288.439 2.118 40 0 CEABLP Cn1cc(C[NH+]2CCC[C@]3(CC[N@H+](CC4CC4)C3)C2)cn1 ZINC000096100149 279336161 /nfs/dbraw/zinc/33/61/61/279336161.db2.gz ILIIEBSWRGWCIF-KRWDZBQOSA-N 2 2 288.439 2.118 40 0 CEABLP Cn1cc(C[NH+]2CCC[C@]3(CC[N@@H+](CC4CC4)C3)C2)cn1 ZINC000096100149 279336165 /nfs/dbraw/zinc/33/61/65/279336165.db2.gz ILIIEBSWRGWCIF-KRWDZBQOSA-N 2 2 288.439 2.118 40 0 CEABLP COc1cc(OC)cc([C@H](C[NH3+])[N@@H+]2CCC[C@H](C)C2)c1 ZINC000035105605 361812897 /nfs/dbraw/zinc/81/28/97/361812897.db2.gz MICPJGHFZAGIHR-LRDDRELGSA-N 2 2 278.396 2.436 40 0 CEABLP COc1cc(OC)cc([C@H](C[NH3+])[N@H+]2CCC[C@H](C)C2)c1 ZINC000035105605 361812900 /nfs/dbraw/zinc/81/29/00/361812900.db2.gz MICPJGHFZAGIHR-LRDDRELGSA-N 2 2 278.396 2.436 40 0 CEABLP CC(C)N(C[C@H]1CCC[N@@H+]1CC[NH3+])C(=O)OC(C)(C)C ZINC000079408508 363595380 /nfs/dbraw/zinc/59/53/80/363595380.db2.gz LCCCWMNESKHNAZ-CYBMUJFWSA-N 2 2 285.432 2.055 40 0 CEABLP CC(C)N(C[C@H]1CCC[N@H+]1CC[NH3+])C(=O)OC(C)(C)C ZINC000079408508 363595384 /nfs/dbraw/zinc/59/53/84/363595384.db2.gz LCCCWMNESKHNAZ-CYBMUJFWSA-N 2 2 285.432 2.055 40 0 CEABLP [NH3+]CC[NH2+][C@@H](c1ccccc1)[C@@H](O)c1ccccc1 ZINC000019367689 361527601 /nfs/dbraw/zinc/52/76/01/361527601.db2.gz KSABEOZTQSQRBQ-HOTGVXAUSA-N 2 2 256.349 2.010 40 0 CEABLP COC[C@H]1C[N@H+](C)C[C@@]12CC[NH+](Cc1ccccc1F)C2 ZINC000096216774 364412148 /nfs/dbraw/zinc/41/21/48/364412148.db2.gz ISSNBVRGKYBSCA-NVXWUHKLSA-N 2 2 292.398 2.226 40 0 CEABLP COC[C@H]1C[N@@H+](C)C[C@@]12CC[NH+](Cc1ccccc1F)C2 ZINC000096216774 364412156 /nfs/dbraw/zinc/41/21/56/364412156.db2.gz ISSNBVRGKYBSCA-NVXWUHKLSA-N 2 2 292.398 2.226 40 0 CEABLP COC[C@H]1C[NH+](C)C[C@@]12CC[N@H+](Cc1ccccc1F)C2 ZINC000096216774 364412163 /nfs/dbraw/zinc/41/21/63/364412163.db2.gz ISSNBVRGKYBSCA-NVXWUHKLSA-N 2 2 292.398 2.226 40 0 CEABLP COC[C@H]1C[NH+](C)C[C@@]12CC[N@@H+](Cc1ccccc1F)C2 ZINC000096216774 364412170 /nfs/dbraw/zinc/41/21/70/364412170.db2.gz ISSNBVRGKYBSCA-NVXWUHKLSA-N 2 2 292.398 2.226 40 0 CEABLP CNc1cc(C)[nH+]c([C@@H]2CC[N@H+](Cc3ncc[nH]3)C2)c1 ZINC000257222816 190014712 /nfs/dbraw/zinc/01/47/12/190014712.db2.gz DUUGHUNLJCNBSS-GFCCVEGCSA-N 2 2 271.368 2.144 40 0 CEABLP CNc1cc(C)[nH+]c([C@@H]2CC[N@@H+](Cc3ncc[nH]3)C2)c1 ZINC000257222816 190014713 /nfs/dbraw/zinc/01/47/13/190014713.db2.gz DUUGHUNLJCNBSS-GFCCVEGCSA-N 2 2 271.368 2.144 40 0 CEABLP CNc1cc([C@@H]2CCC[N@H+](Cc3nccn3C)C2)cc[nH+]1 ZINC000257296091 190028705 /nfs/dbraw/zinc/02/87/05/190028705.db2.gz RBEMAZTVVMMVIQ-CQSZACIVSA-N 2 2 285.395 2.236 40 0 CEABLP CNc1cc([C@@H]2CCC[N@@H+](Cc3nccn3C)C2)cc[nH+]1 ZINC000257296091 190028706 /nfs/dbraw/zinc/02/87/06/190028706.db2.gz RBEMAZTVVMMVIQ-CQSZACIVSA-N 2 2 285.395 2.236 40 0 CEABLP CNc1cc([C@@H]2CCCN2C(=O)CCn2cc[nH+]c2)cc[nH+]1 ZINC000257331594 190035375 /nfs/dbraw/zinc/03/53/75/190035375.db2.gz XTNLMYSFKVRYHM-AWEZNQCLSA-N 2 2 299.378 2.074 40 0 CEABLP CC(C)c1[nH+]ccn1-c1nccnc1[C@@H]1CCC[NH2+]C1 ZINC000072348379 176373174 /nfs/dbraw/zinc/37/31/74/176373174.db2.gz CCCSLHNXQAXGFA-GFCCVEGCSA-N 2 2 271.368 2.253 40 0 CEABLP CCc1[nH+]ccn1-c1nccnc1[C@@H]1CCC[N@H+](C)C1 ZINC000072350495 176373809 /nfs/dbraw/zinc/37/38/09/176373809.db2.gz FFTLGYUFGDLTDH-GFCCVEGCSA-N 2 2 271.368 2.034 40 0 CEABLP CCc1[nH+]ccn1-c1nccnc1[C@@H]1CCC[N@@H+](C)C1 ZINC000072350495 176373810 /nfs/dbraw/zinc/37/38/10/176373810.db2.gz FFTLGYUFGDLTDH-GFCCVEGCSA-N 2 2 271.368 2.034 40 0 CEABLP CC[NH+](CC)CCC[NH2+]Cc1cn(C)nc1C(F)(F)F ZINC000256051449 570351787 /nfs/dbraw/zinc/35/17/87/570351787.db2.gz JFRLGFJGMQOBDY-UHFFFAOYSA-N 2 2 292.349 2.260 40 0 CEABLP COc1cc(OC)c2[nH+]ccc(NCCC[NH3+])c2c1 ZINC000222682079 230398263 /nfs/dbraw/zinc/39/82/63/230398263.db2.gz MZYPKEPUHZAWKI-UHFFFAOYSA-N 2 2 261.325 2.013 40 0 CEABLP CCOC(=[NH2+])c1cccc(C[NH+]2CCC(O)CC2)c1 ZINC000089212565 363950026 /nfs/dbraw/zinc/95/00/26/363950026.db2.gz REFXBOONCBPFFH-UHFFFAOYSA-N 2 2 262.353 2.005 40 0 CEABLP Cc1nc(N2CC[N@@H+](C)[C@H](c3ccccc3)C2)cc[nH+]1 ZINC000257256011 371611262 /nfs/dbraw/zinc/61/12/62/371611262.db2.gz KJSLRCOYTLXZPI-HNNXBMFYSA-N 2 2 268.364 2.278 40 0 CEABLP Cc1nc(N2CC[N@H+](C)[C@H](c3ccccc3)C2)cc[nH+]1 ZINC000257256011 371611268 /nfs/dbraw/zinc/61/12/68/371611268.db2.gz KJSLRCOYTLXZPI-HNNXBMFYSA-N 2 2 268.364 2.278 40 0 CEABLP CCCn1cc[nH+]c1CN1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000257252818 190020554 /nfs/dbraw/zinc/02/05/54/190020554.db2.gz JWFFNQJHZUDVBX-MRXNPFEDSA-N 2 2 284.407 2.440 40 0 CEABLP Cc1[nH+]cc(-c2cc(C)nc(CC3CC[NH2+]CC3)n2)n1C ZINC000257297027 190029711 /nfs/dbraw/zinc/02/97/11/190029711.db2.gz RFLHUHJIUSPRLS-UHFFFAOYSA-N 2 2 285.395 2.036 40 0 CEABLP O[C@H]1CC[N@H+](Cc2ccccc2)CC[C@@H]1n1cc[nH+]c1 ZINC000257341657 190036909 /nfs/dbraw/zinc/03/69/09/190036909.db2.gz ZLIDIHGBLBVAQK-HOTGVXAUSA-N 2 2 271.364 2.081 40 0 CEABLP O[C@H]1CC[N@@H+](Cc2ccccc2)CC[C@@H]1n1cc[nH+]c1 ZINC000257341657 190036910 /nfs/dbraw/zinc/03/69/10/190036910.db2.gz ZLIDIHGBLBVAQK-HOTGVXAUSA-N 2 2 271.364 2.081 40 0 CEABLP c1ccc(NC[C@@H]2CO[C@@H]3C[N@@H+](C4CCCC4)C[C@H]23)[nH+]c1 ZINC000306126525 376540980 /nfs/dbraw/zinc/54/09/80/376540980.db2.gz DYINQGNQFIRBAU-FVQBIDKESA-N 2 2 287.407 2.383 40 0 CEABLP c1ccc(NC[C@@H]2CO[C@@H]3C[N@H+](C4CCCC4)C[C@H]23)[nH+]c1 ZINC000306126525 376540988 /nfs/dbraw/zinc/54/09/88/376540988.db2.gz DYINQGNQFIRBAU-FVQBIDKESA-N 2 2 287.407 2.383 40 0 CEABLP COc1ccc([C@@H](C[NH3+])[NH+]2CCC(C)CC2)cc1OC ZINC000038808920 174156601 /nfs/dbraw/zinc/15/66/01/174156601.db2.gz YBNQCSUGMRKFHD-CQSZACIVSA-N 2 2 278.396 2.436 40 0 CEABLP CC[NH+]1CCC([N@@H+]2CCC[C@@H]2c2cncc(NC)n2)CC1 ZINC000257279023 279258703 /nfs/dbraw/zinc/25/87/03/279258703.db2.gz OERJLGCCLVYGMV-OAHLLOKOSA-N 2 2 289.427 2.140 40 0 CEABLP CC[NH+]1CCC([N@H+]2CCC[C@@H]2c2cncc(NC)n2)CC1 ZINC000257279023 279258704 /nfs/dbraw/zinc/25/87/04/279258704.db2.gz OERJLGCCLVYGMV-OAHLLOKOSA-N 2 2 289.427 2.140 40 0 CEABLP c1[nH]c(C[NH+]2CCC3(C[C@H](c4cccnc4)CO3)CC2)c[nH+]1 ZINC000096073009 185088811 /nfs/dbraw/zinc/08/88/11/185088811.db2.gz WXTBMCINQWCSHK-HNNXBMFYSA-N 2 2 298.390 2.343 40 0 CEABLP CCOC[C@H]1Cn2c[nH+]cc2C[N@H+](CC2CCC2)C1 ZINC000096207644 364411330 /nfs/dbraw/zinc/41/13/30/364411330.db2.gz KVWINNQXAXBOER-CQSZACIVSA-N 2 2 263.385 2.152 40 0 CEABLP CCOC[C@H]1Cn2c[nH+]cc2C[N@@H+](CC2CCC2)C1 ZINC000096207644 364411333 /nfs/dbraw/zinc/41/13/33/364411333.db2.gz KVWINNQXAXBOER-CQSZACIVSA-N 2 2 263.385 2.152 40 0 CEABLP C[NH+](C)CCC[NH2+]Cc1cnn(C2CCCC2)c1 ZINC000256050507 190003160 /nfs/dbraw/zinc/00/31/60/190003160.db2.gz FGXVZVOGGPGVFE-UHFFFAOYSA-N 2 2 250.390 2.040 40 0 CEABLP CCc1[nH]c(C[N@@H+]2CC[C@@]3(CCCO3)[C@@H](OC)C2)c(C)[nH+]1 ZINC000257327914 190034592 /nfs/dbraw/zinc/03/45/92/190034592.db2.gz XDINEOJKYUSODN-HOCLYGCPSA-N 2 2 293.411 2.050 40 0 CEABLP CCc1[nH]c(C[N@H+]2CC[C@@]3(CCCO3)[C@@H](OC)C2)c(C)[nH+]1 ZINC000257327914 190034593 /nfs/dbraw/zinc/03/45/93/190034593.db2.gz XDINEOJKYUSODN-HOCLYGCPSA-N 2 2 293.411 2.050 40 0 CEABLP C1CC[NH+](C2CC[NH+](C3[C@@H]4CCC[C@H]3C[NH2+]C4)CC2)CC1 ZINC000019015029 361519529 /nfs/dbraw/zinc/51/95/29/361519529.db2.gz FDSRFYZPHZHIEU-BYICEURKSA-N 3 2 291.483 2.325 40 0 CEABLP Cc1c[nH]c([C@@H]2CCC[N@H+](Cc3cccnc3)C2)[nH+]1 ZINC000257211446 190012168 /nfs/dbraw/zinc/01/21/68/190012168.db2.gz BYWRYLPVNJFTLE-CQSZACIVSA-N 2 2 256.353 2.493 40 0 CEABLP Cc1c[nH]c([C@@H]2CCC[N@@H+](Cc3cccnc3)C2)[nH+]1 ZINC000257211446 190012169 /nfs/dbraw/zinc/01/21/69/190012169.db2.gz BYWRYLPVNJFTLE-CQSZACIVSA-N 2 2 256.353 2.493 40 0 CEABLP Cc1cn(C)c([C@@H]2CC[N@H+](Cc3cncs3)C2)[nH+]1 ZINC000257338794 190037320 /nfs/dbraw/zinc/03/73/20/190037320.db2.gz YZABAKPTYJKFSD-LLVKDONJSA-N 2 2 262.382 2.175 40 0 CEABLP Cc1cn(C)c([C@@H]2CC[N@@H+](Cc3cncs3)C2)[nH+]1 ZINC000257338794 190037321 /nfs/dbraw/zinc/03/73/21/190037321.db2.gz YZABAKPTYJKFSD-LLVKDONJSA-N 2 2 262.382 2.175 40 0 CEABLP c1ccc(N2CC[C@]3(C2)COCC[N@@H+](CC2CC2)C3)[nH+]c1 ZINC000096062488 185082448 /nfs/dbraw/zinc/08/24/48/185082448.db2.gz QKXNXKFYCODMCP-KRWDZBQOSA-N 2 2 287.407 2.020 40 0 CEABLP c1ccc(N2CC[C@]3(C2)COCC[N@H+](CC2CC2)C3)[nH+]c1 ZINC000096062488 185082450 /nfs/dbraw/zinc/08/24/50/185082450.db2.gz QKXNXKFYCODMCP-KRWDZBQOSA-N 2 2 287.407 2.020 40 0 CEABLP CCCCc1n[n+](-c2ccccc2)[n+](-c2ccccc2)[nH]1 ZINC000035214285 343421433 /nfs/dbraw/zinc/42/14/33/343421433.db2.gz FCBTYKARATYDMO-UHFFFAOYSA-N 2 2 280.375 2.306 40 0 CEABLP C[NH+](C)Cc1cncc2c1CC[N@H+](Cc1ccoc1)C2 ZINC000096189445 364407667 /nfs/dbraw/zinc/40/76/67/364407667.db2.gz UMCHRHJKKOEWOJ-UHFFFAOYSA-N 2 2 271.364 2.295 40 0 CEABLP C[NH+](C)Cc1cncc2c1CC[N@@H+](Cc1ccoc1)C2 ZINC000096189445 364407672 /nfs/dbraw/zinc/40/76/72/364407672.db2.gz UMCHRHJKKOEWOJ-UHFFFAOYSA-N 2 2 271.364 2.295 40 0 CEABLP C[NH+](C)CC[C@H]1CCOC12C[NH+](Cc1ccccc1F)C2 ZINC000248140247 371163405 /nfs/dbraw/zinc/16/34/05/371163405.db2.gz SYQPCZMLIRSWDA-HNNXBMFYSA-N 2 2 292.398 2.368 40 0 CEABLP CNc1cc([C@@H]2CCC[N@H+](Cc3ccn(C)n3)C2)cc[nH+]1 ZINC000257231903 190016673 /nfs/dbraw/zinc/01/66/73/190016673.db2.gz GIQNUHVJIBEEDY-CQSZACIVSA-N 2 2 285.395 2.236 40 0 CEABLP CNc1cc([C@@H]2CCC[N@@H+](Cc3ccn(C)n3)C2)cc[nH+]1 ZINC000257231903 190016674 /nfs/dbraw/zinc/01/66/74/190016674.db2.gz GIQNUHVJIBEEDY-CQSZACIVSA-N 2 2 285.395 2.236 40 0 CEABLP CCc1[nH]c(C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)c(C)[nH+]1 ZINC000257255008 190021226 /nfs/dbraw/zinc/02/12/26/190021226.db2.gz KFSNPQLOQKEEJX-GFCCVEGCSA-N 2 2 273.384 2.383 40 0 CEABLP CCc1[nH]c(C[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)c(C)[nH+]1 ZINC000257255008 190021227 /nfs/dbraw/zinc/02/12/27/190021227.db2.gz KFSNPQLOQKEEJX-GFCCVEGCSA-N 2 2 273.384 2.383 40 0 CEABLP CNc1cc(C)[nH+]c([C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000257260581 190022099 /nfs/dbraw/zinc/02/20/99/190022099.db2.gz LDMOBGOKPDXOHB-CQSZACIVSA-N 3 2 288.439 2.315 40 0 CEABLP CNc1cc(C)[nH+]c([C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000257260581 190022100 /nfs/dbraw/zinc/02/21/00/190022100.db2.gz LDMOBGOKPDXOHB-CQSZACIVSA-N 3 2 288.439 2.315 40 0 CEABLP CN(C)c1cc([C@H]2CCC[N@H+](Cc3ccn(C)n3)C2)cc[nH+]1 ZINC000257340587 190037303 /nfs/dbraw/zinc/03/73/03/190037303.db2.gz ZGUTVNQPEOVQEB-HNNXBMFYSA-N 2 2 299.422 2.261 40 0 CEABLP CN(C)c1cc([C@H]2CCC[N@@H+](Cc3ccn(C)n3)C2)cc[nH+]1 ZINC000257340587 190037304 /nfs/dbraw/zinc/03/73/04/190037304.db2.gz ZGUTVNQPEOVQEB-HNNXBMFYSA-N 2 2 299.422 2.261 40 0 CEABLP Cc1ccc(-c2c[nH+]c3n2C[C@@]2(CC[NH2+]C2)C3)cc1 ZINC000306128207 394513755 /nfs/dbraw/zinc/51/37/55/394513755.db2.gz GUINZAOQYQKSHA-INIZCTEOSA-N 2 2 253.349 2.394 40 0 CEABLP [NH3+]C1CCN(c2nc(C3CC3)[nH+]c3c2CCCC3)CC1 ZINC000096516962 394694162 /nfs/dbraw/zinc/69/41/62/394694162.db2.gz CZYXUWFGGYMPHU-UHFFFAOYSA-N 2 2 272.396 2.160 40 0 CEABLP C1CC1c1nc(N2CCC[NH2+]CC2)c2c([nH+]1)CCCC2 ZINC000096517012 394694169 /nfs/dbraw/zinc/69/41/69/394694169.db2.gz NYMAPXFKPIPAJR-UHFFFAOYSA-N 2 2 272.396 2.033 40 0 CEABLP c1coc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)c1 ZINC000096053776 185075027 /nfs/dbraw/zinc/07/50/27/185075027.db2.gz JEGHGWHLFFTGSN-GASCZTMLSA-N 2 2 283.375 2.238 40 0 CEABLP c1coc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)c1 ZINC000096053776 185075028 /nfs/dbraw/zinc/07/50/28/185075028.db2.gz JEGHGWHLFFTGSN-GASCZTMLSA-N 2 2 283.375 2.238 40 0 CEABLP c1coc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccn4)C[C@H]3C2)c1 ZINC000096053776 185075029 /nfs/dbraw/zinc/07/50/29/185075029.db2.gz JEGHGWHLFFTGSN-GASCZTMLSA-N 2 2 283.375 2.238 40 0 CEABLP c1coc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccn4)C[C@H]3C2)c1 ZINC000096053776 185075031 /nfs/dbraw/zinc/07/50/31/185075031.db2.gz JEGHGWHLFFTGSN-GASCZTMLSA-N 2 2 283.375 2.238 40 0 CEABLP COc1cc(OC)cc([C@@H](C[NH3+])[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000019840901 361560783 /nfs/dbraw/zinc/56/07/83/361560783.db2.gz MICPJGHFZAGIHR-MLGOLLRUSA-N 2 2 278.396 2.436 40 0 CEABLP COc1cc(OC)cc([C@@H](C[NH3+])[N@H+]2CCC[C@@H](C)C2)c1 ZINC000019840901 361560788 /nfs/dbraw/zinc/56/07/88/361560788.db2.gz MICPJGHFZAGIHR-MLGOLLRUSA-N 2 2 278.396 2.436 40 0 CEABLP c1ccc(C[N@H+]2C[C@H]3CN(c4cccc[nH+]4)C[C@H]3C2)nc1 ZINC000096161574 364404643 /nfs/dbraw/zinc/40/46/43/364404643.db2.gz OTGJKNCQBBCPLL-GASCZTMLSA-N 2 2 280.375 2.045 40 0 CEABLP c1ccc(C[N@@H+]2C[C@H]3CN(c4cccc[nH+]4)C[C@H]3C2)nc1 ZINC000096161574 364404646 /nfs/dbraw/zinc/40/46/46/364404646.db2.gz OTGJKNCQBBCPLL-GASCZTMLSA-N 2 2 280.375 2.045 40 0 CEABLP Cc1ccc[nH+]c1N1CC2(C1)CC[N@H+](Cc1cccnc1)C2 ZINC000096202502 364410755 /nfs/dbraw/zinc/41/07/55/364410755.db2.gz HQUZGYAFRRDBKL-UHFFFAOYSA-N 2 2 294.402 2.497 40 0 CEABLP Cc1ccc[nH+]c1N1CC2(C1)CC[N@@H+](Cc1cccnc1)C2 ZINC000096202502 364410759 /nfs/dbraw/zinc/41/07/59/364410759.db2.gz HQUZGYAFRRDBKL-UHFFFAOYSA-N 2 2 294.402 2.497 40 0 CEABLP CNc1cc([C@H]2CCC[N@@H+]2C2CC[NH+](C)CC2)ccn1 ZINC000257288060 190027324 /nfs/dbraw/zinc/02/73/24/190027324.db2.gz PSQFEDQOAPGJOK-OAHLLOKOSA-N 2 2 274.412 2.354 40 0 CEABLP CNc1cc([C@H]2CCC[N@H+]2C2CC[NH+](C)CC2)ccn1 ZINC000257288060 190027325 /nfs/dbraw/zinc/02/73/25/190027325.db2.gz PSQFEDQOAPGJOK-OAHLLOKOSA-N 2 2 274.412 2.354 40 0 CEABLP C[NH+](C)Cc1cncc([C@H]2CCC[N@@H+]2Cc2cccnc2)n1 ZINC000257324882 190033971 /nfs/dbraw/zinc/03/39/71/190033971.db2.gz WQOZBODZJSWKHG-QGZVFWFLSA-N 2 2 297.406 2.270 40 0 CEABLP C[NH+](C)Cc1cncc([C@H]2CCC[N@H+]2Cc2cccnc2)n1 ZINC000257324882 190033972 /nfs/dbraw/zinc/03/39/72/190033972.db2.gz WQOZBODZJSWKHG-QGZVFWFLSA-N 2 2 297.406 2.270 40 0 CEABLP C[NH+](C)C[C@H](C[NH+]1CCCC1)C(=O)c1ccccc1 ZINC000031959522 361724171 /nfs/dbraw/zinc/72/41/71/361724171.db2.gz PESNANQSYBTIMQ-OAHLLOKOSA-N 2 2 260.381 2.143 40 0 CEABLP Cn1c2ccccc2nc1C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000096268579 364420479 /nfs/dbraw/zinc/42/04/79/364420479.db2.gz KORVTTKRNXMDIQ-GOSISDBHSA-N 2 2 298.434 2.491 40 0 CEABLP Cn1c2ccccc2nc1C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000096268579 364420482 /nfs/dbraw/zinc/42/04/82/364420482.db2.gz KORVTTKRNXMDIQ-GOSISDBHSA-N 2 2 298.434 2.491 40 0 CEABLP Cn1c2ccccc2nc1C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000096268579 364420487 /nfs/dbraw/zinc/42/04/87/364420487.db2.gz KORVTTKRNXMDIQ-GOSISDBHSA-N 2 2 298.434 2.491 40 0 CEABLP Cn1c2ccccc2nc1C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000096268579 364420494 /nfs/dbraw/zinc/42/04/94/364420494.db2.gz KORVTTKRNXMDIQ-GOSISDBHSA-N 2 2 298.434 2.491 40 0 CEABLP CC(C)[N@@H+]1CC[C@@H](c2n[nH]cc2-c2cc[nH+]c(N)c2)C1 ZINC000257290439 190027685 /nfs/dbraw/zinc/02/76/85/190027685.db2.gz QCYUQGNILGDDAJ-GFCCVEGCSA-N 2 2 271.368 2.252 40 0 CEABLP CC(C)[N@H+]1CC[C@@H](c2n[nH]cc2-c2cc[nH+]c(N)c2)C1 ZINC000257290439 190027686 /nfs/dbraw/zinc/02/76/86/190027686.db2.gz QCYUQGNILGDDAJ-GFCCVEGCSA-N 2 2 271.368 2.252 40 0 CEABLP Cc1cccc(CN2Cc3c[nH+]cn3[C@@H](CC[NH+](C)C)C2)n1 ZINC000306123186 328424247 /nfs/dbraw/zinc/42/42/47/328424247.db2.gz AGTYSVBXJZZKFR-INIZCTEOSA-N 2 2 299.422 2.095 40 0 CEABLP c1ccc(N2CC[C@@]3(C2)COCC[N@@H+](CC2CC2)C3)[nH+]c1 ZINC000096062489 185083292 /nfs/dbraw/zinc/08/32/92/185083292.db2.gz QKXNXKFYCODMCP-QGZVFWFLSA-N 2 2 287.407 2.020 40 0 CEABLP c1ccc(N2CC[C@@]3(C2)COCC[N@H+](CC2CC2)C3)[nH+]c1 ZINC000096062489 185083294 /nfs/dbraw/zinc/08/32/94/185083294.db2.gz QKXNXKFYCODMCP-QGZVFWFLSA-N 2 2 287.407 2.020 40 0 CEABLP C[C@@H](C[NH2+]CC[NH+]1CCCCC1)C(=O)OC(C)(C)C ZINC000047219046 362201745 /nfs/dbraw/zinc/20/17/45/362201745.db2.gz XOFUWVXHOXLLON-ZDUSSCGKSA-N 2 2 270.417 2.040 40 0 CEABLP OCC[N@H+](C1CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000079393549 363593650 /nfs/dbraw/zinc/59/36/50/363593650.db2.gz CHFSULRHEGRYOQ-UHFFFAOYSA-N 2 2 274.408 2.108 40 0 CEABLP OCC[N@@H+](C1CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000079393549 363593654 /nfs/dbraw/zinc/59/36/54/363593654.db2.gz CHFSULRHEGRYOQ-UHFFFAOYSA-N 2 2 274.408 2.108 40 0 CEABLP [NH3+]CC[NH+]1CCC(C[N@H+](Cc2ccccc2)C2CC2)CC1 ZINC000079414773 363597097 /nfs/dbraw/zinc/59/70/97/363597097.db2.gz KIPFSXIFYAJYGZ-UHFFFAOYSA-N 3 2 287.451 2.322 40 0 CEABLP [NH3+]CC[NH+]1CCC(C[N@@H+](Cc2ccccc2)C2CC2)CC1 ZINC000079414773 363597108 /nfs/dbraw/zinc/59/71/08/363597108.db2.gz KIPFSXIFYAJYGZ-UHFFFAOYSA-N 3 2 287.451 2.322 40 0 CEABLP CCOC(=[NH2+])c1ccccc1C[NH+]1CCC(O)CC1 ZINC000089212562 363949776 /nfs/dbraw/zinc/94/97/76/363949776.db2.gz ISIMSJFXOPZCSM-UHFFFAOYSA-N 2 2 262.353 2.005 40 0 CEABLP C[C@@H]1CCC[N@H+](CCCNC(=S)Nc2cc[nH+]cc2)C1 ZINC000225738208 370315266 /nfs/dbraw/zinc/31/52/66/370315266.db2.gz QQRWBQPMADYGAC-CYBMUJFWSA-N 2 2 292.452 2.490 40 0 CEABLP C[C@@H]1CCC[N@@H+](CCCNC(=S)Nc2cc[nH+]cc2)C1 ZINC000225738208 370315268 /nfs/dbraw/zinc/31/52/68/370315268.db2.gz QQRWBQPMADYGAC-CYBMUJFWSA-N 2 2 292.452 2.490 40 0 CEABLP Cc1nc(N2CC[N@@H+](C)[C@@H](c3ccccc3)C2)cc[nH+]1 ZINC000257256012 371610661 /nfs/dbraw/zinc/61/06/61/371610661.db2.gz KJSLRCOYTLXZPI-OAHLLOKOSA-N 2 2 268.364 2.278 40 0 CEABLP Cc1nc(N2CC[N@H+](C)[C@@H](c3ccccc3)C2)cc[nH+]1 ZINC000257256012 371610665 /nfs/dbraw/zinc/61/06/65/371610665.db2.gz KJSLRCOYTLXZPI-OAHLLOKOSA-N 2 2 268.364 2.278 40 0 CEABLP C[NH+](C)Cc1ccnc([C@H]2CCC[N@@H+]2Cc2ccncc2)n1 ZINC000257229396 190016360 /nfs/dbraw/zinc/01/63/60/190016360.db2.gz FXXRZOORRGJHDJ-MRXNPFEDSA-N 2 2 297.406 2.270 40 0 CEABLP C[NH+](C)Cc1ccnc([C@H]2CCC[N@H+]2Cc2ccncc2)n1 ZINC000257229396 190016361 /nfs/dbraw/zinc/01/63/61/190016361.db2.gz FXXRZOORRGJHDJ-MRXNPFEDSA-N 2 2 297.406 2.270 40 0 CEABLP C[NH+](C)Cc1ccnc([C@@H]2CCC[N@@H+]2Cc2ccncc2)n1 ZINC000257229395 190016547 /nfs/dbraw/zinc/01/65/47/190016547.db2.gz FXXRZOORRGJHDJ-INIZCTEOSA-N 2 2 297.406 2.270 40 0 CEABLP C[NH+](C)Cc1ccnc([C@@H]2CCC[N@H+]2Cc2ccncc2)n1 ZINC000257229395 190016548 /nfs/dbraw/zinc/01/65/48/190016548.db2.gz FXXRZOORRGJHDJ-INIZCTEOSA-N 2 2 297.406 2.270 40 0 CEABLP Cc1c[nH]c([C@@H]2CCC[N@@H+](Cc3cccn3C)C2)[nH+]1 ZINC000257257591 190021546 /nfs/dbraw/zinc/02/15/46/190021546.db2.gz KQHRQTRASQKBDO-CYBMUJFWSA-N 2 2 258.369 2.436 40 0 CEABLP Cc1c[nH]c([C@@H]2CCC[N@H+](Cc3cccn3C)C2)[nH+]1 ZINC000257257591 190021547 /nfs/dbraw/zinc/02/15/47/190021547.db2.gz KQHRQTRASQKBDO-CYBMUJFWSA-N 2 2 258.369 2.436 40 0 CEABLP [NH3+]C[C@@H]1CCC[N@H+](Cc2ccc(Br)o2)C1 ZINC000044527844 175192986 /nfs/dbraw/zinc/19/29/86/175192986.db2.gz FGDUELZDKSAMFF-VIFPVBQESA-N 2 2 273.174 2.213 40 0 CEABLP [NH3+]C[C@@H]1CCC[N@@H+](Cc2ccc(Br)o2)C1 ZINC000044527844 175192987 /nfs/dbraw/zinc/19/29/87/175192987.db2.gz FGDUELZDKSAMFF-VIFPVBQESA-N 2 2 273.174 2.213 40 0 CEABLP Fc1ccc(-c2c[nH+]c3n2C[C@]2(CC[NH2+]C2)C3)cc1 ZINC000306141823 282969910 /nfs/dbraw/zinc/96/99/10/282969910.db2.gz WHJCOKMKIHABPM-OAHLLOKOSA-N 2 2 257.312 2.225 40 0 CEABLP c1coc(C[NH+]2CC[C@@H]3[C@H](CC2)OCC[N@H+]3CC2CC2)c1 ZINC000107254926 186164358 /nfs/dbraw/zinc/16/43/58/186164358.db2.gz OXKNUNVMFCNJIV-SJORKVTESA-N 2 2 290.407 2.355 40 0 CEABLP c1coc(C[NH+]2CC[C@@H]3[C@H](CC2)OCC[N@@H+]3CC2CC2)c1 ZINC000107254926 186164360 /nfs/dbraw/zinc/16/43/60/186164360.db2.gz OXKNUNVMFCNJIV-SJORKVTESA-N 2 2 290.407 2.355 40 0 CEABLP c1coc(C[N@@H+]2CC[C@@H]3[C@H](CC2)OCC[NH+]3CC2CC2)c1 ZINC000107254926 186164361 /nfs/dbraw/zinc/16/43/61/186164361.db2.gz OXKNUNVMFCNJIV-SJORKVTESA-N 2 2 290.407 2.355 40 0 CEABLP c1coc(C[N@H+]2CC[C@@H]3[C@H](CC2)OCC[NH+]3CC2CC2)c1 ZINC000107254926 186164363 /nfs/dbraw/zinc/16/43/63/186164363.db2.gz OXKNUNVMFCNJIV-SJORKVTESA-N 2 2 290.407 2.355 40 0 CEABLP Cc1[nH+]ccn1C[C@H]1CCCN(c2cc(C)[nH+]cn2)C1 ZINC000072368992 363130983 /nfs/dbraw/zinc/13/09/83/363130983.db2.gz HIMWHMXKJYXREB-CQSZACIVSA-N 2 2 271.368 2.207 40 0 CEABLP CC(C)N(C[C@H]1CCCC[N@@H+]1CC[NH3+])C(=O)OC(C)(C)C ZINC000079408548 363596044 /nfs/dbraw/zinc/59/60/44/363596044.db2.gz OULGSRVJRAWODE-CQSZACIVSA-N 2 2 299.459 2.445 40 0 CEABLP CC(C)N(C[C@H]1CCCC[N@H+]1CC[NH3+])C(=O)OC(C)(C)C ZINC000079408548 363596050 /nfs/dbraw/zinc/59/60/50/363596050.db2.gz OULGSRVJRAWODE-CQSZACIVSA-N 2 2 299.459 2.445 40 0 CEABLP CN(C)c1ncccc1C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000019656117 361546989 /nfs/dbraw/zinc/54/69/89/361546989.db2.gz NGZAGJGWDRHIPA-UHFFFAOYSA-N 2 2 288.439 2.208 40 0 CEABLP FC(F)(F)Oc1ccc(C[N@@H+]2CCC[NH2+]CC2)cc1 ZINC000019394742 361531162 /nfs/dbraw/zinc/53/11/62/361531162.db2.gz PSMIFFHHAMEILD-UHFFFAOYSA-N 2 2 274.286 2.381 40 0 CEABLP FC(F)(F)Oc1ccc(C[N@H+]2CCC[NH2+]CC2)cc1 ZINC000019394742 361531168 /nfs/dbraw/zinc/53/11/68/361531168.db2.gz PSMIFFHHAMEILD-UHFFFAOYSA-N 2 2 274.286 2.381 40 0 CEABLP CC[C@@H](C)[N@H+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC000096161502 364403568 /nfs/dbraw/zinc/40/35/68/364403568.db2.gz ZSHXRWJNOGVFSR-BMFZPTHFSA-N 2 2 259.397 2.244 40 0 CEABLP CC[C@@H](C)[N@@H+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC000096161502 364403569 /nfs/dbraw/zinc/40/35/69/364403569.db2.gz ZSHXRWJNOGVFSR-BMFZPTHFSA-N 2 2 259.397 2.244 40 0 CEABLP CC[C@@H](C)[NH+]1C[C@H]2C[N@@H+](Cc3cccnc3)C[C@H]2C1 ZINC000096161502 364403570 /nfs/dbraw/zinc/40/35/70/364403570.db2.gz ZSHXRWJNOGVFSR-BMFZPTHFSA-N 2 2 259.397 2.244 40 0 CEABLP CC[C@@H](C)[NH+]1C[C@H]2C[N@H+](Cc3cccnc3)C[C@H]2C1 ZINC000096161502 364403571 /nfs/dbraw/zinc/40/35/71/364403571.db2.gz ZSHXRWJNOGVFSR-BMFZPTHFSA-N 2 2 259.397 2.244 40 0 CEABLP CCn1cc(C[N@@H+]2CCC[C@@H](c3[nH]cc(C)[nH+]3)C2)cn1 ZINC000257251165 190019961 /nfs/dbraw/zinc/01/99/61/190019961.db2.gz JPRYTVGHTSREFD-CQSZACIVSA-N 2 2 273.384 2.314 40 0 CEABLP CCn1cc(C[N@H+]2CCC[C@@H](c3[nH]cc(C)[nH+]3)C2)cn1 ZINC000257251165 190019962 /nfs/dbraw/zinc/01/99/62/190019962.db2.gz JPRYTVGHTSREFD-CQSZACIVSA-N 2 2 273.384 2.314 40 0 CEABLP COc1cccc([C@H](C[NH3+])[N@@H+]2CCC[C@@H](C)C2)c1OC ZINC000022165039 171365396 /nfs/dbraw/zinc/36/53/96/171365396.db2.gz IBVVTNVBRHXFIS-OCCSQVGLSA-N 2 2 278.396 2.436 40 0 CEABLP COc1cccc([C@H](C[NH3+])[N@H+]2CCC[C@@H](C)C2)c1OC ZINC000022165039 171365398 /nfs/dbraw/zinc/36/53/98/171365398.db2.gz IBVVTNVBRHXFIS-OCCSQVGLSA-N 2 2 278.396 2.436 40 0 CEABLP CC[NH+](CC)C[C@@H]1CN(Cc2cccnc2)Cc2c[nH+]cn21 ZINC000306123961 279125788 /nfs/dbraw/zinc/12/57/88/279125788.db2.gz BBINDFYVDVZQBQ-QGZVFWFLSA-N 2 2 299.422 2.177 40 0 CEABLP CC[N@@H+]1CCOC[C@]2(CCC[NH+](Cc3cccnc3)C2)C1 ZINC000096049599 185072889 /nfs/dbraw/zinc/07/28/89/185072889.db2.gz WSZUPJUTBFKXLZ-QGZVFWFLSA-N 2 2 289.423 2.016 40 0 CEABLP CC[N@H+]1CCOC[C@]2(CCC[NH+](Cc3cccnc3)C2)C1 ZINC000096049599 185072891 /nfs/dbraw/zinc/07/28/91/185072891.db2.gz WSZUPJUTBFKXLZ-QGZVFWFLSA-N 2 2 289.423 2.016 40 0 CEABLP CC[NH+]1CCOC[C@]2(CCC[N@H+](Cc3cccnc3)C2)C1 ZINC000096049599 185072892 /nfs/dbraw/zinc/07/28/92/185072892.db2.gz WSZUPJUTBFKXLZ-QGZVFWFLSA-N 2 2 289.423 2.016 40 0 CEABLP CC[NH+]1CCOC[C@]2(CCC[N@@H+](Cc3cccnc3)C2)C1 ZINC000096049599 185072894 /nfs/dbraw/zinc/07/28/94/185072894.db2.gz WSZUPJUTBFKXLZ-QGZVFWFLSA-N 2 2 289.423 2.016 40 0 CEABLP [NH3+]C1CC[NH+](Cc2ccccc2Br)CC1 ZINC000034958687 361800292 /nfs/dbraw/zinc/80/02/92/361800292.db2.gz PEQMHDKZUYUOIQ-UHFFFAOYSA-N 2 2 269.186 2.372 40 0 CEABLP c1cc2n(c1)C[C@@H](CCNc1cccc[nH+]1)C[NH2+]C2 ZINC000585095296 367177903 /nfs/dbraw/zinc/17/79/03/367177903.db2.gz OJHHPKFPSNSJEL-ZDUSSCGKSA-N 2 2 256.353 2.105 40 0 CEABLP C[NH+](C)Cc1cncc([C@@H]2CCC[N@@H+]2Cc2ccncc2)n1 ZINC000257240652 190018226 /nfs/dbraw/zinc/01/82/26/190018226.db2.gz HUNMIEVAUBRWBG-KRWDZBQOSA-N 2 2 297.406 2.270 40 0 CEABLP C[NH+](C)Cc1cncc([C@@H]2CCC[N@H+]2Cc2ccncc2)n1 ZINC000257240652 190018227 /nfs/dbraw/zinc/01/82/27/190018227.db2.gz HUNMIEVAUBRWBG-KRWDZBQOSA-N 2 2 297.406 2.270 40 0 CEABLP CCc1[nH+]ccn1-c1cccc(C2CC[NH2+]CC2)n1 ZINC000257241627 190018773 /nfs/dbraw/zinc/01/87/73/190018773.db2.gz HYUYNXMAKYDUAO-UHFFFAOYSA-N 2 2 256.353 2.297 40 0 CEABLP CNc1cc([C@H]2CCC[N@H+](Cc3nccn3C)C2)cc[nH+]1 ZINC000257296090 190028576 /nfs/dbraw/zinc/02/85/76/190028576.db2.gz RBEMAZTVVMMVIQ-AWEZNQCLSA-N 2 2 285.395 2.236 40 0 CEABLP CNc1cc([C@H]2CCC[N@@H+](Cc3nccn3C)C2)cc[nH+]1 ZINC000257296090 190028577 /nfs/dbraw/zinc/02/85/77/190028577.db2.gz RBEMAZTVVMMVIQ-AWEZNQCLSA-N 2 2 285.395 2.236 40 0 CEABLP C[NH+](C)C[C@H]1Cn2cc[nH+]c2CN(Cc2cccs2)C1 ZINC000096188177 256816949 /nfs/dbraw/zinc/81/69/49/256816949.db2.gz IUFDWEBPTJSSMQ-CYBMUJFWSA-N 2 2 290.436 2.138 40 0 CEABLP CC[NH+](CC)CCC[NH2+]Cc1cnc(NC(C)C)nc1 ZINC000062718451 394570619 /nfs/dbraw/zinc/57/06/19/394570619.db2.gz MUFYKSLLWHJWBR-UHFFFAOYSA-N 2 2 279.432 2.118 40 0 CEABLP CC[N@H+](CC[NH3+])Cc1cccc(Br)c1 ZINC000076663592 177050034 /nfs/dbraw/zinc/05/00/34/177050034.db2.gz XSMDMHAMGOGFLG-UHFFFAOYSA-N 2 2 257.175 2.230 40 0 CEABLP CC[N@@H+](CC[NH3+])Cc1cccc(Br)c1 ZINC000076663592 177050036 /nfs/dbraw/zinc/05/00/36/177050036.db2.gz XSMDMHAMGOGFLG-UHFFFAOYSA-N 2 2 257.175 2.230 40 0 CEABLP C[C@@H](O)C[NH2+]CC[NH2+]Cc1ccc(-c2ccccc2)cc1 ZINC000022076162 262344237 /nfs/dbraw/zinc/34/42/37/262344237.db2.gz WTCHOCAXOWBIAG-OAHLLOKOSA-N 2 2 284.403 2.414 40 0 CEABLP CC[NH+](CC)CCC[NH2+]Cc1ccnn1C(F)F ZINC000256051138 276325547 /nfs/dbraw/zinc/32/55/47/276325547.db2.gz HWLQORNBFNCYTG-UHFFFAOYSA-N 2 2 260.332 2.100 40 0 CEABLP c1coc(C[N@@H+]2CCC[C@]3(C[C@H](n4cc[nH+]c4)CO3)C2)c1 ZINC000096048544 185072806 /nfs/dbraw/zinc/07/28/06/185072806.db2.gz ODJOIXLINXIUPZ-HOCLYGCPSA-N 2 2 287.363 2.472 40 0 CEABLP c1coc(C[N@H+]2CCC[C@]3(C[C@H](n4cc[nH+]c4)CO3)C2)c1 ZINC000096048544 185072808 /nfs/dbraw/zinc/07/28/08/185072808.db2.gz ODJOIXLINXIUPZ-HOCLYGCPSA-N 2 2 287.363 2.472 40 0 CEABLP C[N@@H+]1CCOCC12CC[NH+](Cc1ccc(F)cc1)CC2 ZINC000096048904 185073525 /nfs/dbraw/zinc/07/35/25/185073525.db2.gz QCDAZINIUZFJAJ-UHFFFAOYSA-N 2 2 278.371 2.122 40 0 CEABLP C[N@H+]1CCOCC12CC[NH+](Cc1ccc(F)cc1)CC2 ZINC000096048904 185073527 /nfs/dbraw/zinc/07/35/27/185073527.db2.gz QCDAZINIUZFJAJ-UHFFFAOYSA-N 2 2 278.371 2.122 40 0 CEABLP COc1ccc([C@H](C[NH3+])[N@@H+]2CCC[C@H](C)C2)c(OC)c1 ZINC000036100807 361829530 /nfs/dbraw/zinc/82/95/30/361829530.db2.gz SBZBRJHTMRUIII-WFASDCNBSA-N 2 2 278.396 2.436 40 0 CEABLP COc1ccc([C@H](C[NH3+])[N@H+]2CCC[C@H](C)C2)c(OC)c1 ZINC000036100807 361829534 /nfs/dbraw/zinc/82/95/34/361829534.db2.gz SBZBRJHTMRUIII-WFASDCNBSA-N 2 2 278.396 2.436 40 0 CEABLP CC[NH+](CC)[C@@H](C[NH3+])c1cc(OC)cc(OC)c1 ZINC000019840870 361561165 /nfs/dbraw/zinc/56/11/65/361561165.db2.gz JTGMSFFSSBPGRA-AWEZNQCLSA-N 2 2 252.358 2.045 40 0 CEABLP c1coc(C[NH+]2CC[C@H]3OCC[N@@H+](CC4CC4)[C@@H]3CC2)c1 ZINC000096249302 364416949 /nfs/dbraw/zinc/41/69/49/364416949.db2.gz OXKNUNVMFCNJIV-IAGOWNOFSA-N 2 2 290.407 2.355 40 0 CEABLP c1coc(C[NH+]2CC[C@H]3OCC[N@H+](CC4CC4)[C@@H]3CC2)c1 ZINC000096249302 364416952 /nfs/dbraw/zinc/41/69/52/364416952.db2.gz OXKNUNVMFCNJIV-IAGOWNOFSA-N 2 2 290.407 2.355 40 0 CEABLP c1coc(C[N@H+]2CC[C@H]3OCC[NH+](CC4CC4)[C@@H]3CC2)c1 ZINC000096249302 364416957 /nfs/dbraw/zinc/41/69/57/364416957.db2.gz OXKNUNVMFCNJIV-IAGOWNOFSA-N 2 2 290.407 2.355 40 0 CEABLP c1coc(C[N@@H+]2CC[C@H]3OCC[NH+](CC4CC4)[C@@H]3CC2)c1 ZINC000096249302 364416961 /nfs/dbraw/zinc/41/69/61/364416961.db2.gz OXKNUNVMFCNJIV-IAGOWNOFSA-N 2 2 290.407 2.355 40 0 CEABLP CCCn1nc(C)cc1C[NH2+]CCC[NH+](CC)CC ZINC000256051011 190003764 /nfs/dbraw/zinc/00/37/64/190003764.db2.gz HJPDCMODIIIIAH-UHFFFAOYSA-N 2 2 266.433 2.423 40 0 CEABLP Cc1cn(C)c([C@H]2CCC[N@H+](Cc3ccnc(C)n3)C2)[nH+]1 ZINC000257342605 190037132 /nfs/dbraw/zinc/03/71/32/190037132.db2.gz ZPKUHMHWWFJSIU-AWEZNQCLSA-N 2 2 285.395 2.207 40 0 CEABLP Cc1cn(C)c([C@H]2CCC[N@@H+](Cc3ccnc(C)n3)C2)[nH+]1 ZINC000257342605 190037133 /nfs/dbraw/zinc/03/71/33/190037133.db2.gz ZPKUHMHWWFJSIU-AWEZNQCLSA-N 2 2 285.395 2.207 40 0 CEABLP CC(C)(C)OC(=O)N(C[C@H]1CCCC[N@@H+]1CC[NH3+])C1CC1 ZINC000079408631 278377678 /nfs/dbraw/zinc/37/76/78/278377678.db2.gz LPRMAENLINKOFU-CQSZACIVSA-N 2 2 297.443 2.199 40 0 CEABLP CC(C)(C)OC(=O)N(C[C@H]1CCCC[N@H+]1CC[NH3+])C1CC1 ZINC000079408631 278377680 /nfs/dbraw/zinc/37/76/80/278377680.db2.gz LPRMAENLINKOFU-CQSZACIVSA-N 2 2 297.443 2.199 40 0 CEABLP C[NH+](C)CCNc1nc(N2CCc3ccccc3C2)cc[nH+]1 ZINC000147985510 344412616 /nfs/dbraw/zinc/41/26/16/344412616.db2.gz BTVZZOJKJKSPFE-UHFFFAOYSA-N 2 2 297.406 2.013 40 0 CEABLP CC(C)[N@H+](CCO)C1CC[NH+](Cc2ccccc2)CC1 ZINC000079395100 363596209 /nfs/dbraw/zinc/59/62/09/363596209.db2.gz UWEGEBVJKPVVRO-UHFFFAOYSA-N 2 2 276.424 2.354 40 0 CEABLP CC(C)[N@@H+](CCO)C1CC[NH+](Cc2ccccc2)CC1 ZINC000079395100 363596214 /nfs/dbraw/zinc/59/62/14/363596214.db2.gz UWEGEBVJKPVVRO-UHFFFAOYSA-N 2 2 276.424 2.354 40 0 CEABLP CC[C@@H]1NC(=[NH2+])NC(=[NH2+])N1c1ccc(Cl)c(Cl)c1 ZINC000001666574 361214758 /nfs/dbraw/zinc/21/47/58/361214758.db2.gz QUCCHVCOIPRXTC-SECBINFHSA-N 2 2 286.166 2.179 40 0 CEABLP CC[NH+](CC)CC[C@@H]1CN(C(=O)C(C)C)Cc2c[nH+]cn21 ZINC000585096451 367177113 /nfs/dbraw/zinc/17/71/13/367177113.db2.gz ODXZEDRQESJOBF-CQSZACIVSA-N 2 2 292.427 2.154 40 0 CEABLP Cc1c[nH]c([C@@H]2CCC[N@H+](Cc3ccccn3)C2)[nH+]1 ZINC000257214261 190013520 /nfs/dbraw/zinc/01/35/20/190013520.db2.gz CLHNKVHCOOTQFK-CYBMUJFWSA-N 2 2 256.353 2.493 40 0 CEABLP Cc1c[nH]c([C@@H]2CCC[N@@H+](Cc3ccccn3)C2)[nH+]1 ZINC000257214261 190013521 /nfs/dbraw/zinc/01/35/21/190013521.db2.gz CLHNKVHCOOTQFK-CYBMUJFWSA-N 2 2 256.353 2.493 40 0 CEABLP c1cncc(C[NH+]2CC3C[NH+](Cc4cccnc4)CC3C2)c1 ZINC000096053741 185074233 /nfs/dbraw/zinc/07/42/33/185074233.db2.gz MUGAKAARWHXDJS-UHFFFAOYSA-N 2 2 294.402 2.040 40 0 CEABLP COc1cc(OC)cc([C@@H](C[NH3+])[N@@H+]2CCC[C@H](C)C2)c1 ZINC000108349990 344265106 /nfs/dbraw/zinc/26/51/06/344265106.db2.gz MICPJGHFZAGIHR-BLLLJJGKSA-N 2 2 278.396 2.436 40 0 CEABLP COc1cc(OC)cc([C@@H](C[NH3+])[N@H+]2CCC[C@H](C)C2)c1 ZINC000108349990 344265109 /nfs/dbraw/zinc/26/51/09/344265109.db2.gz MICPJGHFZAGIHR-BLLLJJGKSA-N 2 2 278.396 2.436 40 0 CEABLP c1coc(C[N@@H+]2CCC[C@]3(C[C@@H](n4cc[nH+]c4)CO3)C2)c1 ZINC000107731326 186189083 /nfs/dbraw/zinc/18/90/83/186189083.db2.gz ODJOIXLINXIUPZ-ZBFHGGJFSA-N 2 2 287.363 2.472 40 0 CEABLP c1coc(C[N@H+]2CCC[C@]3(C[C@@H](n4cc[nH+]c4)CO3)C2)c1 ZINC000107731326 186189085 /nfs/dbraw/zinc/18/90/85/186189085.db2.gz ODJOIXLINXIUPZ-ZBFHGGJFSA-N 2 2 287.363 2.472 40 0 CEABLP Cc1cccc(-c2nc(N3CC[NH2+]CC3)cc(C)[nH+]2)c1 ZINC000006833927 361338919 /nfs/dbraw/zinc/33/89/19/361338919.db2.gz LTQPKMQOUQSKCO-UHFFFAOYSA-N 2 2 268.364 2.170 40 0 CEABLP Cc1cccc(N2CCC[C@@H]([N@@H+](C)Cc3cncn3C)C2)[nH+]1 ZINC000257343698 371613266 /nfs/dbraw/zinc/61/32/66/371613266.db2.gz ZUAZKXLTVKVMJG-OAHLLOKOSA-N 2 2 299.422 2.224 40 0 CEABLP Cc1cccc(N2CCC[C@@H]([N@H+](C)Cc3cncn3C)C2)[nH+]1 ZINC000257343698 371613270 /nfs/dbraw/zinc/61/32/70/371613270.db2.gz ZUAZKXLTVKVMJG-OAHLLOKOSA-N 2 2 299.422 2.224 40 0 CEABLP CSCC[C@@H]([NH3+])C[N@@H+]1CCc2ccccc2C1 ZINC000096523850 394696499 /nfs/dbraw/zinc/69/64/99/394696499.db2.gz WXJBWJHKYNCBTL-CQSZACIVSA-N 2 2 250.411 2.125 40 0 CEABLP CSCC[C@@H]([NH3+])C[N@H+]1CCc2ccccc2C1 ZINC000096523850 394696503 /nfs/dbraw/zinc/69/65/03/394696503.db2.gz WXJBWJHKYNCBTL-CQSZACIVSA-N 2 2 250.411 2.125 40 0 CEABLP c1[nH+]c2n(c1-c1ccccc1)CC1(C2)CC[NH2+]CC1 ZINC000306141619 275076448 /nfs/dbraw/zinc/07/64/48/275076448.db2.gz WCDWICGAHHNKCT-UHFFFAOYSA-N 2 2 253.349 2.476 40 0 CEABLP c1ccc(C[NH+]2CC3C[NH+](Cc4ccccn4)CC3C2)nc1 ZINC000096053803 185076243 /nfs/dbraw/zinc/07/62/43/185076243.db2.gz ABABYFMACDZJJH-UHFFFAOYSA-N 2 2 294.402 2.040 40 0 CEABLP OCC[NH+]1CCC([N@H+](Cc2ccccc2)C2CC2)CC1 ZINC000079414396 363597228 /nfs/dbraw/zinc/59/72/28/363597228.db2.gz ZMSBQXVUZJBLOH-UHFFFAOYSA-N 2 2 274.408 2.108 40 0 CEABLP OCC[NH+]1CCC([N@@H+](Cc2ccccc2)C2CC2)CC1 ZINC000079414396 363597234 /nfs/dbraw/zinc/59/72/34/363597234.db2.gz ZMSBQXVUZJBLOH-UHFFFAOYSA-N 2 2 274.408 2.108 40 0 CEABLP Cc1ccsc1C[N@@H+](Cc1c[nH+]cn1C)C[C@@H](C)O ZINC000019238600 361523208 /nfs/dbraw/zinc/52/32/08/361523208.db2.gz CDVNIQYBWRRTCK-GFCCVEGCSA-N 2 2 279.409 2.173 40 0 CEABLP Cc1ccsc1C[N@H+](Cc1c[nH+]cn1C)C[C@@H](C)O ZINC000019238600 361523212 /nfs/dbraw/zinc/52/32/12/361523212.db2.gz CDVNIQYBWRRTCK-GFCCVEGCSA-N 2 2 279.409 2.173 40 0 CEABLP C[NH+](C)C[C@@H]1Cn2cc[nH+]c2CN(Cc2cccs2)C1 ZINC000096188174 364406967 /nfs/dbraw/zinc/40/69/67/364406967.db2.gz IUFDWEBPTJSSMQ-ZDUSSCGKSA-N 2 2 290.436 2.138 40 0 CEABLP c1coc(C[N@@H+]2CCc3onc(Cn4cc[nH+]c4)c3C2)c1 ZINC000096259769 364418665 /nfs/dbraw/zinc/41/86/65/364418665.db2.gz IMAWFEAJRYDWKG-UHFFFAOYSA-N 2 2 284.319 2.071 40 0 CEABLP c1coc(C[N@H+]2CCc3onc(Cn4cc[nH+]c4)c3C2)c1 ZINC000096259769 364418670 /nfs/dbraw/zinc/41/86/70/364418670.db2.gz IMAWFEAJRYDWKG-UHFFFAOYSA-N 2 2 284.319 2.071 40 0 CEABLP Cc1c[nH]c([C@@H]2CC[N@@H+](Cc3csc(C)n3)C2)[nH+]1 ZINC000257203937 190011479 /nfs/dbraw/zinc/01/14/79/190011479.db2.gz ASGXJLRMKXTGCQ-LLVKDONJSA-N 2 2 262.382 2.473 40 0 CEABLP Cc1c[nH]c([C@@H]2CC[N@H+](Cc3csc(C)n3)C2)[nH+]1 ZINC000257203937 190011480 /nfs/dbraw/zinc/01/14/80/190011480.db2.gz ASGXJLRMKXTGCQ-LLVKDONJSA-N 2 2 262.382 2.473 40 0 CEABLP Cc1[nH+]cc(-c2ccc(C[C@H]3CCC[NH2+]C3)cn2)n1C ZINC000257247736 190019677 /nfs/dbraw/zinc/01/96/77/190019677.db2.gz JAGGORQAMLISLK-CYBMUJFWSA-N 2 2 270.380 2.333 40 0 CEABLP Cc1cc(CC2CCN(C(=O)Cn3cc[nH+]c3)CC2)cc[nH+]1 ZINC000257267026 190023216 /nfs/dbraw/zinc/02/32/16/190023216.db2.gz MFRDMVWPVXQSAB-UHFFFAOYSA-N 2 2 298.390 2.068 40 0 CEABLP Cn1ccc2cc[nH+]c(C[C@H]3COC4(C3)CC[NH2+]CC4)c21 ZINC000257295492 190028713 /nfs/dbraw/zinc/02/87/13/190028713.db2.gz QYNLMANWOIRPRQ-CYBMUJFWSA-N 2 2 285.391 2.275 40 0 CEABLP Cc1cn(C)c([C@H]2CC[N@H+](Cc3csc(C)n3)C2)[nH+]1 ZINC000257297134 190029922 /nfs/dbraw/zinc/02/99/22/190029922.db2.gz RGAJMTQBBKDDOS-LBPRGKRZSA-N 2 2 276.409 2.483 40 0 CEABLP Cc1cn(C)c([C@H]2CC[N@@H+](Cc3csc(C)n3)C2)[nH+]1 ZINC000257297134 190029923 /nfs/dbraw/zinc/02/99/23/190029923.db2.gz RGAJMTQBBKDDOS-LBPRGKRZSA-N 2 2 276.409 2.483 40 0 CEABLP CN(C)c1cc([C@H]2CCC[N@H+](Cc3cnn(C)c3)C2)cc[nH+]1 ZINC000257314576 190032882 /nfs/dbraw/zinc/03/28/82/190032882.db2.gz UXOOSTUIZGVYKV-INIZCTEOSA-N 2 2 299.422 2.261 40 0 CEABLP CN(C)c1cc([C@H]2CCC[N@@H+](Cc3cnn(C)c3)C2)cc[nH+]1 ZINC000257314576 190032883 /nfs/dbraw/zinc/03/28/83/190032883.db2.gz UXOOSTUIZGVYKV-INIZCTEOSA-N 2 2 299.422 2.261 40 0 CEABLP Cc1ccc(CN(CCC[NH+](C)C)Cc2[nH+]ccn2C)o1 ZINC000012147066 301579948 /nfs/dbraw/zinc/57/99/48/301579948.db2.gz QLSKAZKIUAMZJL-UHFFFAOYSA-N 2 2 290.411 2.275 40 0 CEABLP CC[N@@H+]1CCOC[C@@]2(CCC[NH+](Cc3ccccn3)C2)C1 ZINC000096049598 185073040 /nfs/dbraw/zinc/07/30/40/185073040.db2.gz WVUBZOQEFIPAAZ-KRWDZBQOSA-N 2 2 289.423 2.016 40 0 CEABLP CC[N@H+]1CCOC[C@@]2(CCC[NH+](Cc3ccccn3)C2)C1 ZINC000096049598 185073041 /nfs/dbraw/zinc/07/30/41/185073041.db2.gz WVUBZOQEFIPAAZ-KRWDZBQOSA-N 2 2 289.423 2.016 40 0 CEABLP CC[NH+]1CCOC[C@@]2(CCC[N@H+](Cc3ccccn3)C2)C1 ZINC000096049598 185073042 /nfs/dbraw/zinc/07/30/42/185073042.db2.gz WVUBZOQEFIPAAZ-KRWDZBQOSA-N 2 2 289.423 2.016 40 0 CEABLP CC[NH+]1CCOC[C@@]2(CCC[N@@H+](Cc3ccccn3)C2)C1 ZINC000096049598 185073043 /nfs/dbraw/zinc/07/30/43/185073043.db2.gz WVUBZOQEFIPAAZ-KRWDZBQOSA-N 2 2 289.423 2.016 40 0 CEABLP c1cn([C@@H]2CO[C@]3(C2)CCC[N@@H+](Cc2cccnc2)C3)c[nH+]1 ZINC000096048564 185073186 /nfs/dbraw/zinc/07/31/86/185073186.db2.gz SVZHDVPNTPYDSM-IRXDYDNUSA-N 2 2 298.390 2.274 40 0 CEABLP c1cn([C@@H]2CO[C@]3(C2)CCC[N@H+](Cc2cccnc2)C3)c[nH+]1 ZINC000096048564 185073187 /nfs/dbraw/zinc/07/31/87/185073187.db2.gz SVZHDVPNTPYDSM-IRXDYDNUSA-N 2 2 298.390 2.274 40 0 CEABLP c1cn([C@@H]2CO[C@@]3(C2)CCC[N@@H+](Cc2ccncc2)C3)c[nH+]1 ZINC000096048567 185073397 /nfs/dbraw/zinc/07/33/97/185073397.db2.gz QDQCLGDBADXANC-DLBZAZTESA-N 2 2 298.390 2.274 40 0 CEABLP c1cn([C@@H]2CO[C@@]3(C2)CCC[N@H+](Cc2ccncc2)C3)c[nH+]1 ZINC000096048567 185073398 /nfs/dbraw/zinc/07/33/98/185073398.db2.gz QDQCLGDBADXANC-DLBZAZTESA-N 2 2 298.390 2.274 40 0 CEABLP c1cn([C@@H]2CO[C@]3(C2)CCC[N@@H+](Cc2ccncc2)C3)c[nH+]1 ZINC000096048566 185073584 /nfs/dbraw/zinc/07/35/84/185073584.db2.gz QDQCLGDBADXANC-IRXDYDNUSA-N 2 2 298.390 2.274 40 0 CEABLP c1cn([C@@H]2CO[C@]3(C2)CCC[N@H+](Cc2ccncc2)C3)c[nH+]1 ZINC000096048566 185073585 /nfs/dbraw/zinc/07/35/85/185073585.db2.gz QDQCLGDBADXANC-IRXDYDNUSA-N 2 2 298.390 2.274 40 0 CEABLP CCn1cc(C[N@@H+]2CC[C@H](c3[nH]cc(C)[nH+]3)C2)c(C)n1 ZINC000585181413 345009139 /nfs/dbraw/zinc/00/91/39/345009139.db2.gz ISCUSGFWRFSICN-ZDUSSCGKSA-N 2 2 273.384 2.232 40 0 CEABLP CCn1cc(C[N@H+]2CC[C@H](c3[nH]cc(C)[nH+]3)C2)c(C)n1 ZINC000585181413 345009142 /nfs/dbraw/zinc/00/91/42/345009142.db2.gz ISCUSGFWRFSICN-ZDUSSCGKSA-N 2 2 273.384 2.232 40 0 CEABLP c1cn([C@H]2CO[C@@]3(C2)CCC[N@@H+](Cc2ccccn2)C3)c[nH+]1 ZINC000107731397 186189525 /nfs/dbraw/zinc/18/95/25/186189525.db2.gz DCZVGCNCDNMRRP-IAGOWNOFSA-N 2 2 298.390 2.274 40 0 CEABLP c1cn([C@H]2CO[C@@]3(C2)CCC[N@H+](Cc2ccccn2)C3)c[nH+]1 ZINC000107731397 186189527 /nfs/dbraw/zinc/18/95/27/186189527.db2.gz DCZVGCNCDNMRRP-IAGOWNOFSA-N 2 2 298.390 2.274 40 0 CEABLP c1cn([C@H]2CO[C@]3(C2)CCC[N@@H+](Cc2ccoc2)C3)c[nH+]1 ZINC000107731341 186189608 /nfs/dbraw/zinc/18/96/08/186189608.db2.gz RHHJWYHNAPOFFG-CVEARBPZSA-N 2 2 287.363 2.472 40 0 CEABLP c1cn([C@H]2CO[C@]3(C2)CCC[N@H+](Cc2ccoc2)C3)c[nH+]1 ZINC000107731341 186189610 /nfs/dbraw/zinc/18/96/10/186189610.db2.gz RHHJWYHNAPOFFG-CVEARBPZSA-N 2 2 287.363 2.472 40 0 CEABLP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cc2ccccc2[nH]c1=O ZINC000023247895 361596389 /nfs/dbraw/zinc/59/63/89/361596389.db2.gz DRSRDWJTYXPTQW-OAHLLOKOSA-N 2 2 285.391 2.102 40 0 CEABLP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1cc2ccccc2[nH]c1=O ZINC000023247895 361596395 /nfs/dbraw/zinc/59/63/95/361596395.db2.gz DRSRDWJTYXPTQW-OAHLLOKOSA-N 2 2 285.391 2.102 40 0 CEABLP C[NH+](C)Cc1[nH]nc2c1CC[N@H+](Cc1cccs1)C2 ZINC000096255834 364418444 /nfs/dbraw/zinc/41/84/44/364418444.db2.gz CODFBZBQPJOYBH-UHFFFAOYSA-N 2 2 276.409 2.091 40 0 CEABLP C[NH+](C)Cc1[nH]nc2c1CC[N@@H+](Cc1cccs1)C2 ZINC000096255834 364418450 /nfs/dbraw/zinc/41/84/50/364418450.db2.gz CODFBZBQPJOYBH-UHFFFAOYSA-N 2 2 276.409 2.091 40 0 CEABLP C[NH+](C)Cc1ccnc([C@H]2CCC[N@@H+]2Cc2cccnc2)n1 ZINC000257200977 190010701 /nfs/dbraw/zinc/01/07/01/190010701.db2.gz AFPSRUACCFZLDS-MRXNPFEDSA-N 2 2 297.406 2.270 40 0 CEABLP C[NH+](C)Cc1ccnc([C@H]2CCC[N@H+]2Cc2cccnc2)n1 ZINC000257200977 190010702 /nfs/dbraw/zinc/01/07/02/190010702.db2.gz AFPSRUACCFZLDS-MRXNPFEDSA-N 2 2 297.406 2.270 40 0 CEABLP Cn1c[nH+]cc1-c1ccc(CC2CC[NH2+]CC2)cn1 ZINC000257280408 190025737 /nfs/dbraw/zinc/02/57/37/190025737.db2.gz OKSAEPYXLAQVDU-UHFFFAOYSA-N 2 2 256.353 2.024 40 0 CEABLP CCc1[nH+]ccn1-c1ccnc([C@H]2CCC[NH2+]C2)c1 ZINC000257329560 190034783 /nfs/dbraw/zinc/03/47/83/190034783.db2.gz XKLVVYSERLPWMC-LBPRGKRZSA-N 2 2 256.353 2.297 40 0 CEABLP CCc1[nH+]ccn1-c1cc[nH+]c([C@H]2CCC[NH2+]C2)c1 ZINC000257329560 190034784 /nfs/dbraw/zinc/03/47/84/190034784.db2.gz XKLVVYSERLPWMC-LBPRGKRZSA-N 3 2 256.353 2.297 40 0 CEABLP CC(C)c1[nH+]ccn1-c1nccnc1[C@@H]1CCC[NH2+]1 ZINC000072356391 176375751 /nfs/dbraw/zinc/37/57/51/176375751.db2.gz OCDMERXEASPHHG-NSHDSACASA-N 2 2 257.341 2.210 40 0 CEABLP Cc1nc(N2CC[C@H]([NH3+])C2)cc(-c2ccc(F)cc2)[nH+]1 ZINC000070458548 363086066 /nfs/dbraw/zinc/08/60/66/363086066.db2.gz ZUCXWFYRPIBZKG-ZDUSSCGKSA-N 2 2 272.327 2.129 40 0 CEABLP Cc1c[nH]c([C@H]2CCC[N@H+](Cc3ccccn3)C2)[nH+]1 ZINC000257214262 190012814 /nfs/dbraw/zinc/01/28/14/190012814.db2.gz CLHNKVHCOOTQFK-ZDUSSCGKSA-N 2 2 256.353 2.493 40 0 CEABLP Cc1c[nH]c([C@H]2CCC[N@@H+](Cc3ccccn3)C2)[nH+]1 ZINC000257214262 190012815 /nfs/dbraw/zinc/01/28/15/190012815.db2.gz CLHNKVHCOOTQFK-ZDUSSCGKSA-N 2 2 256.353 2.493 40 0 CEABLP Cc1[nH+]cc(-c2ccc(C[C@@H]3CCC[NH2+]C3)cn2)n1C ZINC000257247737 190019572 /nfs/dbraw/zinc/01/95/72/190019572.db2.gz JAGGORQAMLISLK-ZDUSSCGKSA-N 2 2 270.380 2.333 40 0 CEABLP Cc1[nH+]cc(-c2cc(CC3CC[NH2+]CC3)ccn2)n1C ZINC000257301219 190030255 /nfs/dbraw/zinc/03/02/55/190030255.db2.gz RXLZXDRNRVAGFZ-UHFFFAOYSA-N 2 2 270.380 2.333 40 0 CEABLP c1cc(C[NH+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)co1 ZINC000096053783 185074483 /nfs/dbraw/zinc/07/44/83/185074483.db2.gz CVYSNAJBYFRQLK-HZPDHXFCSA-N 2 2 283.375 2.238 40 0 CEABLP CC(C)N(C[C@@H]1CCCC[N@@H+]1CC[NH3+])C(=O)OC(C)(C)C ZINC000079408540 363595270 /nfs/dbraw/zinc/59/52/70/363595270.db2.gz OULGSRVJRAWODE-AWEZNQCLSA-N 2 2 299.459 2.445 40 0 CEABLP CC(C)N(C[C@@H]1CCCC[N@H+]1CC[NH3+])C(=O)OC(C)(C)C ZINC000079408540 363595275 /nfs/dbraw/zinc/59/52/75/363595275.db2.gz OULGSRVJRAWODE-AWEZNQCLSA-N 2 2 299.459 2.445 40 0 CEABLP COc1ccc2c(c1)C1(CC[NH+](C)CC1)[N@@H+](C)CC2 ZINC000096242674 364416562 /nfs/dbraw/zinc/41/65/62/364416562.db2.gz QCWNJEMNPBGJHN-UHFFFAOYSA-N 2 2 260.381 2.104 40 0 CEABLP COc1ccc2c(c1)C1(CC[NH+](C)CC1)[N@H+](C)CC2 ZINC000096242674 364416565 /nfs/dbraw/zinc/41/65/65/364416565.db2.gz QCWNJEMNPBGJHN-UHFFFAOYSA-N 2 2 260.381 2.104 40 0 CEABLP CC[NH+](CC)Cc1nc(C2(O)CC[NH+](CC)CC2)cs1 ZINC000225462513 370296952 /nfs/dbraw/zinc/29/69/52/370296952.db2.gz ZDFZYWVECQPJNF-UHFFFAOYSA-N 2 2 297.468 2.288 40 0 biogenic,in-vitro CEABLP Cc1cn(C)c([C@H]2CCC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000257232444 190017377 /nfs/dbraw/zinc/01/73/77/190017377.db2.gz GKWMCHURAVLAPX-AWEZNQCLSA-N 2 2 276.428 2.002 40 0 CEABLP Cc1cn(C)c([C@H]2CCC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000257232444 190017378 /nfs/dbraw/zinc/01/73/78/190017378.db2.gz GKWMCHURAVLAPX-AWEZNQCLSA-N 2 2 276.428 2.002 40 0 CEABLP Cc1cn(C)c([C@H]2CCC[N@@H+](C3CC[NH+](C)CC3)C2)[nH+]1 ZINC000257232444 190017379 /nfs/dbraw/zinc/01/73/79/190017379.db2.gz GKWMCHURAVLAPX-AWEZNQCLSA-N 3 2 276.428 2.002 40 0 CEABLP Cc1cn(C)c([C@H]2CCC[N@H+](C3CC[NH+](C)CC3)C2)[nH+]1 ZINC000257232444 190017380 /nfs/dbraw/zinc/01/73/80/190017380.db2.gz GKWMCHURAVLAPX-AWEZNQCLSA-N 3 2 276.428 2.002 40 0 CEABLP Cc1[nH+]cc(-c2cccc([C@H]3CCC[NH2+]C3)n2)n1C ZINC000257313167 190031831 /nfs/dbraw/zinc/03/18/31/190031831.db2.gz URGHJBGSAUPMJX-LBPRGKRZSA-N 2 2 256.353 2.258 40 0 CEABLP Cn1ccc2cc[nH+]c(C[C@@H]3COC4(C3)CC[NH2+]CC4)c21 ZINC000257295493 190028133 /nfs/dbraw/zinc/02/81/33/190028133.db2.gz QYNLMANWOIRPRQ-ZDUSSCGKSA-N 2 2 285.391 2.275 40 0 CEABLP Cc1c[nH]c([C@@H]2CCC[N@@H+](Cc3cc(C)on3)C2)[nH+]1 ZINC000257297490 190029337 /nfs/dbraw/zinc/02/93/37/190029337.db2.gz RHLMNZXPSRGROP-GFCCVEGCSA-N 2 2 260.341 2.394 40 0 CEABLP Cc1c[nH]c([C@@H]2CCC[N@H+](Cc3cc(C)on3)C2)[nH+]1 ZINC000257297490 190029338 /nfs/dbraw/zinc/02/93/38/190029338.db2.gz RHLMNZXPSRGROP-GFCCVEGCSA-N 2 2 260.341 2.394 40 0 CEABLP c1cncc(C[NH+]2C[C@H]3C[NH+](Cc4ccncc4)C[C@@H]3C2)c1 ZINC000096053744 185075038 /nfs/dbraw/zinc/07/50/38/185075038.db2.gz GEEIIYLNXYZEPQ-QZTJIDSGSA-N 2 2 294.402 2.040 40 0 CEABLP Cc1cccc(N2CCC[C@H]([N@@H+](C)Cc3cncn3C)C2)[nH+]1 ZINC000257343697 371612442 /nfs/dbraw/zinc/61/24/42/371612442.db2.gz ZUAZKXLTVKVMJG-HNNXBMFYSA-N 2 2 299.422 2.224 40 0 CEABLP Cc1cccc(N2CCC[C@H]([N@H+](C)Cc3cncn3C)C2)[nH+]1 ZINC000257343697 371612447 /nfs/dbraw/zinc/61/24/47/371612447.db2.gz ZUAZKXLTVKVMJG-HNNXBMFYSA-N 2 2 299.422 2.224 40 0 CEABLP Cc1c[nH]c([C@H]2CC[N@H+](Cc3ccc(C)nc3)C2)[nH+]1 ZINC000257326173 190034331 /nfs/dbraw/zinc/03/43/31/190034331.db2.gz WWCWWMDUJRFCHV-AWEZNQCLSA-N 2 2 256.353 2.411 40 0 CEABLP Cc1c[nH]c([C@H]2CC[N@@H+](Cc3ccc(C)nc3)C2)[nH+]1 ZINC000257326173 190034332 /nfs/dbraw/zinc/03/43/32/190034332.db2.gz WWCWWMDUJRFCHV-AWEZNQCLSA-N 2 2 256.353 2.411 40 0 CEABLP c1cn([C@@H]2CO[C@@]3(C2)CCC[N@@H+](Cc2ccccn2)C3)c[nH+]1 ZINC000096048563 185072540 /nfs/dbraw/zinc/07/25/40/185072540.db2.gz DCZVGCNCDNMRRP-DLBZAZTESA-N 2 2 298.390 2.274 40 0 CEABLP c1cn([C@@H]2CO[C@@]3(C2)CCC[N@H+](Cc2ccccn2)C3)c[nH+]1 ZINC000096048563 185072542 /nfs/dbraw/zinc/07/25/42/185072542.db2.gz DCZVGCNCDNMRRP-DLBZAZTESA-N 2 2 298.390 2.274 40 0 CEABLP Cn1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](CC2CC2)C3)cn1 ZINC000096046933 185073070 /nfs/dbraw/zinc/07/30/70/185073070.db2.gz MGCGQGONTAEEHU-KRWDZBQOSA-N 2 2 288.439 2.118 40 0 CEABLP Cn1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](CC2CC2)C3)cn1 ZINC000096046933 185073071 /nfs/dbraw/zinc/07/30/71/185073071.db2.gz MGCGQGONTAEEHU-KRWDZBQOSA-N 2 2 288.439 2.118 40 0 CEABLP Cn1cc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](CC2CC2)C3)cn1 ZINC000096046933 185073072 /nfs/dbraw/zinc/07/30/72/185073072.db2.gz MGCGQGONTAEEHU-KRWDZBQOSA-N 2 2 288.439 2.118 40 0 CEABLP Cn1cc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](CC2CC2)C3)cn1 ZINC000096046933 185073073 /nfs/dbraw/zinc/07/30/73/185073073.db2.gz MGCGQGONTAEEHU-KRWDZBQOSA-N 2 2 288.439 2.118 40 0 CEABLP c1ccc(N2CCC[C@@]3(CC[N@@H+]([C@@H]4CCOC4)C3)C2)[nH+]c1 ZINC000096216796 364412031 /nfs/dbraw/zinc/41/20/31/364412031.db2.gz XHXQCHGEJUTSKP-WBVHZDCISA-N 2 2 287.407 2.163 40 0 CEABLP c1ccc(N2CCC[C@@]3(CC[N@H+]([C@@H]4CCOC4)C3)C2)[nH+]c1 ZINC000096216796 364412037 /nfs/dbraw/zinc/41/20/37/364412037.db2.gz XHXQCHGEJUTSKP-WBVHZDCISA-N 2 2 287.407 2.163 40 0 CEABLP Cc1c[nH]c([C@H]2CCC[N@H+](Cc3cccnc3)C2)[nH+]1 ZINC000257211445 190012001 /nfs/dbraw/zinc/01/20/01/190012001.db2.gz BYWRYLPVNJFTLE-AWEZNQCLSA-N 2 2 256.353 2.493 40 0 CEABLP Cc1c[nH]c([C@H]2CCC[N@@H+](Cc3cccnc3)C2)[nH+]1 ZINC000257211445 190012002 /nfs/dbraw/zinc/01/20/02/190012002.db2.gz BYWRYLPVNJFTLE-AWEZNQCLSA-N 2 2 256.353 2.493 40 0 CEABLP CCCCc1[nH]c(C[N@@H+]2C[C@H](OC)[C@]3(CCCO3)C2)c[nH+]1 ZINC000257240079 190018382 /nfs/dbraw/zinc/01/83/82/190018382.db2.gz HRYZWAYQOLBKBP-HOCLYGCPSA-N 2 2 293.411 2.132 40 0 CEABLP CCCCc1[nH]c(C[N@H+]2C[C@H](OC)[C@]3(CCCO3)C2)c[nH+]1 ZINC000257240079 190018383 /nfs/dbraw/zinc/01/83/83/190018383.db2.gz HRYZWAYQOLBKBP-HOCLYGCPSA-N 2 2 293.411 2.132 40 0 CEABLP Cc1cn(C)c([C@H]2CCC[N@H+](Cc3[nH]cnc3C)C2)[nH+]1 ZINC000257272262 190024055 /nfs/dbraw/zinc/02/40/55/190024055.db2.gz NBRRDXRGHAQQFD-ZDUSSCGKSA-N 2 2 273.384 2.140 40 0 CEABLP Cc1cn(C)c([C@H]2CCC[N@@H+](Cc3[nH]cnc3C)C2)[nH+]1 ZINC000257272262 190024056 /nfs/dbraw/zinc/02/40/56/190024056.db2.gz NBRRDXRGHAQQFD-ZDUSSCGKSA-N 2 2 273.384 2.140 40 0 CEABLP CNc1cc(C)[nH+]c([C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000257260580 190022774 /nfs/dbraw/zinc/02/27/74/190022774.db2.gz LDMOBGOKPDXOHB-AWEZNQCLSA-N 3 2 288.439 2.315 40 0 CEABLP CNc1cc(C)[nH+]c([C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000257260580 190022775 /nfs/dbraw/zinc/02/27/75/190022775.db2.gz LDMOBGOKPDXOHB-AWEZNQCLSA-N 3 2 288.439 2.315 40 0 CEABLP Cc1[nH+]cc(-c2cccc([C@@H]3CCC[NH2+]C3)n2)n1C ZINC000257313166 190031717 /nfs/dbraw/zinc/03/17/17/190031717.db2.gz URGHJBGSAUPMJX-GFCCVEGCSA-N 2 2 256.353 2.258 40 0 CEABLP CC[NH+](CC)CCC[NH2+]Cc1cnc(SC)nc1 ZINC000062718338 394570705 /nfs/dbraw/zinc/57/07/05/394570705.db2.gz FFQCCZKNGIJLIX-UHFFFAOYSA-N 2 2 268.430 2.020 40 0 CEABLP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+](Cc1ccncc1)C2 ZINC000096061779 185082364 /nfs/dbraw/zinc/08/23/64/185082364.db2.gz NREOCRGAOACIHT-UHFFFAOYSA-N 2 2 299.422 2.134 40 0 CEABLP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+](Cc1ccncc1)C2 ZINC000096061779 185082365 /nfs/dbraw/zinc/08/23/65/185082365.db2.gz NREOCRGAOACIHT-UHFFFAOYSA-N 2 2 299.422 2.134 40 0 CEABLP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+](Cc1ccncc1)C2 ZINC000096061779 185082367 /nfs/dbraw/zinc/08/23/67/185082367.db2.gz NREOCRGAOACIHT-UHFFFAOYSA-N 2 2 299.422 2.134 40 0 CEABLP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+](Cc1ccncc1)C2 ZINC000096061779 185082369 /nfs/dbraw/zinc/08/23/69/185082369.db2.gz NREOCRGAOACIHT-UHFFFAOYSA-N 2 2 299.422 2.134 40 0 CEABLP Cn1cc(C[N@@H+]2CCC[C@@]3(CC[NH+](CC4CC4)C3)C2)cn1 ZINC000096100150 185098160 /nfs/dbraw/zinc/09/81/60/185098160.db2.gz ILIIEBSWRGWCIF-QGZVFWFLSA-N 2 2 288.439 2.118 40 0 CEABLP Cn1cc(C[N@H+]2CCC[C@@]3(CC[NH+](CC4CC4)C3)C2)cn1 ZINC000096100150 185098162 /nfs/dbraw/zinc/09/81/62/185098162.db2.gz ILIIEBSWRGWCIF-QGZVFWFLSA-N 2 2 288.439 2.118 40 0 CEABLP Cn1cc(C[NH+]2CCC[C@@]3(CC[N@H+](CC4CC4)C3)C2)cn1 ZINC000096100150 185098163 /nfs/dbraw/zinc/09/81/63/185098163.db2.gz ILIIEBSWRGWCIF-QGZVFWFLSA-N 2 2 288.439 2.118 40 0 CEABLP Cn1cc(C[NH+]2CCC[C@@]3(CC[N@@H+](CC4CC4)C3)C2)cn1 ZINC000096100150 185098165 /nfs/dbraw/zinc/09/81/65/185098165.db2.gz ILIIEBSWRGWCIF-QGZVFWFLSA-N 2 2 288.439 2.118 40 0 CEABLP [NH3+][C@H](CC[C@H]([NH3+])C(=O)c1ccccc1)C(=O)c1ccccc1 ZINC000001608369 361211043 /nfs/dbraw/zinc/21/10/43/361211043.db2.gz NXDLNLVUCIDRBX-IYBDPMFKSA-N 2 2 296.370 2.187 40 0 CEABLP Cc1cn(-c2cc[nH+]c([C@H]3CCC[NH2+]C3)c2)c(C)[nH+]1 ZINC000257205596 190011379 /nfs/dbraw/zinc/01/13/79/190011379.db2.gz AZUBXXQNRMKMAP-ZDUSSCGKSA-N 3 2 256.353 2.351 40 0 CEABLP Cc1cn(-c2ccnc([C@H]3CCC[NH2+]C3)c2)c(C)[nH+]1 ZINC000257205596 190011380 /nfs/dbraw/zinc/01/13/80/190011380.db2.gz AZUBXXQNRMKMAP-ZDUSSCGKSA-N 2 2 256.353 2.351 40 0 CEABLP CNc1cc([C@@H]2CCC[N@H+](Cc3cncn3C)C2)cc[nH+]1 ZINC000257268922 190023930 /nfs/dbraw/zinc/02/39/30/190023930.db2.gz MNUPAMOMPBUFKL-CQSZACIVSA-N 2 2 285.395 2.236 40 0 CEABLP CNc1cc([C@@H]2CCC[N@@H+](Cc3cncn3C)C2)cc[nH+]1 ZINC000257268922 190023931 /nfs/dbraw/zinc/02/39/31/190023931.db2.gz MNUPAMOMPBUFKL-CQSZACIVSA-N 2 2 285.395 2.236 40 0 CEABLP C[NH+](C)Cc1cncc([C@@H]2CCC[N@@H+]2Cc2cccnc2)n1 ZINC000257324881 190033945 /nfs/dbraw/zinc/03/39/45/190033945.db2.gz WQOZBODZJSWKHG-KRWDZBQOSA-N 2 2 297.406 2.270 40 0 CEABLP C[NH+](C)Cc1cncc([C@@H]2CCC[N@H+]2Cc2cccnc2)n1 ZINC000257324881 190033946 /nfs/dbraw/zinc/03/39/46/190033946.db2.gz WQOZBODZJSWKHG-KRWDZBQOSA-N 2 2 297.406 2.270 40 0 CEABLP [NH3+]CC[NH2+][C@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000019367688 394468152 /nfs/dbraw/zinc/46/81/52/394468152.db2.gz KSABEOZTQSQRBQ-HZPDHXFCSA-N 2 2 256.349 2.010 40 0 CEABLP CC[C@H](C)[N@H+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC000096161608 364404882 /nfs/dbraw/zinc/40/48/82/364404882.db2.gz NQIJXWNUFWUPJI-SOUVJXGZSA-N 2 2 259.397 2.244 40 0 CEABLP CC[C@H](C)[N@@H+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC000096161608 364404884 /nfs/dbraw/zinc/40/48/84/364404884.db2.gz NQIJXWNUFWUPJI-SOUVJXGZSA-N 2 2 259.397 2.244 40 0 CEABLP CC[C@H](C)[NH+]1C[C@H]2C[N@@H+](Cc3ccccn3)C[C@H]2C1 ZINC000096161608 364404886 /nfs/dbraw/zinc/40/48/86/364404886.db2.gz NQIJXWNUFWUPJI-SOUVJXGZSA-N 2 2 259.397 2.244 40 0 CEABLP CC[C@H](C)[NH+]1C[C@H]2C[N@H+](Cc3ccccn3)C[C@H]2C1 ZINC000096161608 364404889 /nfs/dbraw/zinc/40/48/89/364404889.db2.gz NQIJXWNUFWUPJI-SOUVJXGZSA-N 2 2 259.397 2.244 40 0 CEABLP Cc1cccc(N2CCC[C@@H]([N@@H+](C)Cc3ccn(C)n3)C2)[nH+]1 ZINC000257306721 371613093 /nfs/dbraw/zinc/61/30/93/371613093.db2.gz SVNJDDDMIBGTNR-MRXNPFEDSA-N 2 2 299.422 2.224 40 0 CEABLP Cc1cccc(N2CCC[C@@H]([N@H+](C)Cc3ccn(C)n3)C2)[nH+]1 ZINC000257306721 371613099 /nfs/dbraw/zinc/61/30/99/371613099.db2.gz SVNJDDDMIBGTNR-MRXNPFEDSA-N 2 2 299.422 2.224 40 0 CEABLP Cc1ccc(-c2c[nH+]c3n2C[C@]2(CC[NH2+]C2)C3)cc1 ZINC000306128208 394513826 /nfs/dbraw/zinc/51/38/26/394513826.db2.gz GUINZAOQYQKSHA-MRXNPFEDSA-N 2 2 253.349 2.394 40 0 CEABLP COc1ccccc1-c1c[nH+]c2n1C[C@]1(CC[NH2+]C1)C2 ZINC000306140523 274155969 /nfs/dbraw/zinc/15/59/69/274155969.db2.gz UWAMYEUTSYLCGD-MRXNPFEDSA-N 2 2 269.348 2.095 40 0 CEABLP [NH3+]C[C@H]([NH3+])c1cc(Br)cc(Br)c1 ZINC000044472006 327134526 /nfs/dbraw/zinc/13/45/26/327134526.db2.gz SSQNWRFNXOLVKK-QMMMGPOBSA-N 2 2 293.990 2.170 40 0 CEABLP Nc1ccc[nH+]c1N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000091352097 180137918 /nfs/dbraw/zinc/13/79/18/180137918.db2.gz VCOCTBVOMHSTTI-CQSZACIVSA-N 2 2 268.364 2.350 40 0 CEABLP Nc1ccc[nH+]c1N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000091352097 180137919 /nfs/dbraw/zinc/13/79/19/180137919.db2.gz VCOCTBVOMHSTTI-CQSZACIVSA-N 2 2 268.364 2.350 40 0 CEABLP CC1CC[NH+](CCCNC(=S)Nc2cc[nH+]cc2)CC1 ZINC000225438092 370293770 /nfs/dbraw/zinc/29/37/70/370293770.db2.gz RNWRWZQFINIZCS-UHFFFAOYSA-N 2 2 292.452 2.490 40 0 CEABLP Cc1cn(C)c([C@@H]2CCC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000257232445 190017185 /nfs/dbraw/zinc/01/71/85/190017185.db2.gz GKWMCHURAVLAPX-CQSZACIVSA-N 2 2 276.428 2.002 40 0 CEABLP Cc1cn(C)c([C@@H]2CCC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000257232445 190017186 /nfs/dbraw/zinc/01/71/86/190017186.db2.gz GKWMCHURAVLAPX-CQSZACIVSA-N 2 2 276.428 2.002 40 0 CEABLP Cc1cn(C)c([C@@H]2CCC[N@@H+](C3CC[NH+](C)CC3)C2)[nH+]1 ZINC000257232445 190017187 /nfs/dbraw/zinc/01/71/87/190017187.db2.gz GKWMCHURAVLAPX-CQSZACIVSA-N 3 2 276.428 2.002 40 0 CEABLP Cc1cn(C)c([C@@H]2CCC[N@H+](C3CC[NH+](C)CC3)C2)[nH+]1 ZINC000257232445 190017188 /nfs/dbraw/zinc/01/71/88/190017188.db2.gz GKWMCHURAVLAPX-CQSZACIVSA-N 3 2 276.428 2.002 40 0 CEABLP CC[NH+](CC)CCC[NH2+]Cc1cnn(C)c1C(F)(F)F ZINC000256050784 279099735 /nfs/dbraw/zinc/09/97/35/279099735.db2.gz GMRSKFWHOJLHBE-UHFFFAOYSA-N 2 2 292.349 2.260 40 0 CEABLP Cn1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](CC2CC2)C3)cn1 ZINC000096046934 185072484 /nfs/dbraw/zinc/07/24/84/185072484.db2.gz MGCGQGONTAEEHU-QGZVFWFLSA-N 2 2 288.439 2.118 40 0 CEABLP Cn1cc(C[N@H+]2CC[C@]3(C2)CCC[NH+](CC2CC2)C3)cn1 ZINC000096046934 185072485 /nfs/dbraw/zinc/07/24/85/185072485.db2.gz MGCGQGONTAEEHU-QGZVFWFLSA-N 2 2 288.439 2.118 40 0 CEABLP Cn1cc(C[NH+]2CC[C@]3(C2)CCC[N@H+](CC2CC2)C3)cn1 ZINC000096046934 185072487 /nfs/dbraw/zinc/07/24/87/185072487.db2.gz MGCGQGONTAEEHU-QGZVFWFLSA-N 2 2 288.439 2.118 40 0 CEABLP Cn1cc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](CC2CC2)C3)cn1 ZINC000096046934 185072488 /nfs/dbraw/zinc/07/24/88/185072488.db2.gz MGCGQGONTAEEHU-QGZVFWFLSA-N 2 2 288.439 2.118 40 0 CEABLP C[N@@H+]1CCOCC12CC[NH+](Cc1ccsc1)CC2 ZINC000096048901 185072900 /nfs/dbraw/zinc/07/29/00/185072900.db2.gz IDHDLJOQRAAWJP-UHFFFAOYSA-N 2 2 266.410 2.045 40 0 CEABLP C[N@H+]1CCOCC12CC[NH+](Cc1ccsc1)CC2 ZINC000096048901 185072902 /nfs/dbraw/zinc/07/29/02/185072902.db2.gz IDHDLJOQRAAWJP-UHFFFAOYSA-N 2 2 266.410 2.045 40 0 CEABLP c1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)nc1 ZINC000096053740 185074047 /nfs/dbraw/zinc/07/40/47/185074047.db2.gz KKKJJFQEUFFWDH-IRXDYDNUSA-N 2 2 294.402 2.040 40 0 CEABLP CC[C@@H](C)[NH+]1CCC([NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000019888880 361564191 /nfs/dbraw/zinc/56/41/91/361564191.db2.gz ZIGZSNQDEOYGCI-RDBSUJKOSA-N 2 2 254.418 2.359 40 0 CEABLP [NH3+]C1CCN(c2cc(C3CC3)[nH+]c(C3CC3)n2)CC1 ZINC000096516964 364426030 /nfs/dbraw/zinc/42/60/30/364426030.db2.gz VCVMFQMPSGUIGS-UHFFFAOYSA-N 2 2 258.369 2.159 40 0 CEABLP Cc1cn(C)c([C@@H]2CC[N@H+](Cc3scnc3C)C2)[nH+]1 ZINC000257273528 190024577 /nfs/dbraw/zinc/02/45/77/190024577.db2.gz NGZGKIRIMXBYGV-GFCCVEGCSA-N 2 2 276.409 2.483 40 0 CEABLP Cc1cn(C)c([C@@H]2CC[N@@H+](Cc3scnc3C)C2)[nH+]1 ZINC000257273528 190024578 /nfs/dbraw/zinc/02/45/78/190024578.db2.gz NGZGKIRIMXBYGV-GFCCVEGCSA-N 2 2 276.409 2.483 40 0 CEABLP CCn1cc(C[N@@H+]2CC[C@@H](c3[nH]cc(C)[nH+]3)C2)c(C)n1 ZINC000585181412 345009028 /nfs/dbraw/zinc/00/90/28/345009028.db2.gz ISCUSGFWRFSICN-CYBMUJFWSA-N 2 2 273.384 2.232 40 0 CEABLP CCn1cc(C[N@H+]2CC[C@@H](c3[nH]cc(C)[nH+]3)C2)c(C)n1 ZINC000585181412 345009031 /nfs/dbraw/zinc/00/90/31/345009031.db2.gz ISCUSGFWRFSICN-CYBMUJFWSA-N 2 2 273.384 2.232 40 0 CEABLP C[NH+](C)C[C@@H](C[NH+]1CCCC1)C(=O)c1ccccc1 ZINC000001571872 361209081 /nfs/dbraw/zinc/20/90/81/361209081.db2.gz PESNANQSYBTIMQ-HNNXBMFYSA-N 2 2 260.381 2.143 40 0 CEABLP CSCC[C@H]([NH3+])C[N@@H+]1CCc2ccccc2C1 ZINC000019852818 361562360 /nfs/dbraw/zinc/56/23/60/361562360.db2.gz WXJBWJHKYNCBTL-AWEZNQCLSA-N 2 2 250.411 2.125 40 0 CEABLP CSCC[C@H]([NH3+])C[N@H+]1CCc2ccccc2C1 ZINC000019852818 361562365 /nfs/dbraw/zinc/56/23/65/361562365.db2.gz WXJBWJHKYNCBTL-AWEZNQCLSA-N 2 2 250.411 2.125 40 0 CEABLP Cc1nn(C2CCCC2)cc1C[NH2+]CCC[NH+](C)C ZINC000256055216 190005264 /nfs/dbraw/zinc/00/52/64/190005264.db2.gz ZTQQDVHQIORYPE-UHFFFAOYSA-N 2 2 264.417 2.348 40 0 CEABLP CN(C)c1cc(C2CC[NH+](Cc3cnn(C)c3)CC2)cc[nH+]1 ZINC000072364259 176378731 /nfs/dbraw/zinc/37/87/31/176378731.db2.gz NQRSPZLWIUCVDK-UHFFFAOYSA-N 2 2 299.422 2.261 40 0 CEABLP