smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=C(Cl)C[N@@H+](CCC)C1CC[NH2+]CC1 ZINC000037469610 712642616 /nfs/dbraw/zinc/64/26/16/712642616.db2.gz PHICQTPEVOQMQP-UHFFFAOYSA-N 2 2 216.756 2.203 20 30 BEEDLP C=C(Cl)C[N@H+](CCC)C1CC[NH2+]CC1 ZINC000037469610 712642618 /nfs/dbraw/zinc/64/26/18/712642618.db2.gz PHICQTPEVOQMQP-UHFFFAOYSA-N 2 2 216.756 2.203 20 30 BEEDLP C#CCCCCC[NH+]1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000720433303 712842539 /nfs/dbraw/zinc/84/25/39/712842539.db2.gz PNXFCICQIHJMIL-GJZGRUSLSA-N 2 2 234.387 2.349 20 30 BEEDLP C#CCCCCC[NH+]1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000720433303 712842541 /nfs/dbraw/zinc/84/25/41/712842541.db2.gz PNXFCICQIHJMIL-GJZGRUSLSA-N 2 2 234.387 2.349 20 30 BEEDLP C#CCCCCC[N@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC000720433303 712842543 /nfs/dbraw/zinc/84/25/43/712842543.db2.gz PNXFCICQIHJMIL-GJZGRUSLSA-N 2 2 234.387 2.349 20 30 BEEDLP C#CCCCCC[N@@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC000720433303 712842545 /nfs/dbraw/zinc/84/25/45/712842545.db2.gz PNXFCICQIHJMIL-GJZGRUSLSA-N 2 2 234.387 2.349 20 30 BEEDLP C[C@@H](CC(C)(C)C#N)[NH2+]CC(C)(C)[NH+](C)C ZINC000695776721 960451413 /nfs/dbraw/zinc/45/14/13/960451413.db2.gz FENXLIJBXIFDTG-NSHDSACASA-N 2 2 225.380 2.245 20 30 BEEDLP C[NH+](C)C1CCC([NH2+]C2(C#N)CCCC2)CC1 ZINC001168298249 964387234 /nfs/dbraw/zinc/38/72/34/964387234.db2.gz HYYOPZLRDQRASB-UHFFFAOYSA-N 2 2 235.375 2.285 20 30 BEEDLP C[C@@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1cccc(C#N)c1 ZINC000335498174 1166083224 /nfs/dbraw/zinc/08/32/24/1166083224.db2.gz FDTBUFFXQSPWDF-IUODEOHRSA-N 2 2 243.354 2.351 20 30 BEEDLP C[C@H]1C[C@@H]([NH2+]CC#Cc2ccccc2)CC[N@@H+]1C ZINC000158157352 1166399037 /nfs/dbraw/zinc/39/90/37/1166399037.db2.gz ZENWZDLNFUEHRW-HOCLYGCPSA-N 2 2 242.366 2.110 20 30 BEEDLP C[C@H]1C[C@@H]([NH2+]CC#Cc2ccccc2)CC[N@H+]1C ZINC000158157352 1166399047 /nfs/dbraw/zinc/39/90/47/1166399047.db2.gz ZENWZDLNFUEHRW-HOCLYGCPSA-N 2 2 242.366 2.110 20 30 BEEDLP CC[C@H](CC#N)[NH2+][C@H]1CC[N@@H+](C(C)C)C[C@H]1C ZINC001255165565 969975270 /nfs/dbraw/zinc/97/52/70/969975270.db2.gz YMMCBULIWVLAQI-MCIONIFRSA-N 2 2 237.391 2.387 20 30 BEEDLP CC[C@H](CC#N)[NH2+][C@H]1CC[N@H+](C(C)C)C[C@H]1C ZINC001255165565 969975275 /nfs/dbraw/zinc/97/52/75/969975275.db2.gz YMMCBULIWVLAQI-MCIONIFRSA-N 2 2 237.391 2.387 20 30 BEEDLP CC[NH+](CC)CC[C@H](C)[NH+]1CCC(C#N)CC1 ZINC001255955483 970584046 /nfs/dbraw/zinc/58/40/46/970584046.db2.gz UTUROUVODJTQTP-ZDUSSCGKSA-N 2 2 237.391 2.342 20 30 BEEDLP C=CCCCCCCC[N@H+]1C[C@@H](OC)[C@@H]([NH3+])C1 ZINC001237101517 979814322 /nfs/dbraw/zinc/81/43/22/979814322.db2.gz GVQRTJKUDRMWDU-UONOGXRCSA-N 2 2 240.391 2.171 20 30 BEEDLP C=CCCCCCCC[N@@H+]1C[C@@H](OC)[C@@H]([NH3+])C1 ZINC001237101517 979814325 /nfs/dbraw/zinc/81/43/25/979814325.db2.gz GVQRTJKUDRMWDU-UONOGXRCSA-N 2 2 240.391 2.171 20 30 BEEDLP C=CC[NH+]1CCC([NH2+][C@H]2CC[C@@H](C)C2)CC1 ZINC000164526440 1168428989 /nfs/dbraw/zinc/42/89/89/1168428989.db2.gz ZLQWOAVEAKLHFJ-OCCSQVGLSA-N 2 2 222.376 2.415 20 30 BEEDLP C=CCCCCCC[N@H+]1CC[C@@H]([NH2+]C)C1 ZINC000379812379 1169231454 /nfs/dbraw/zinc/23/14/54/1169231454.db2.gz OXJJOWFDFOUDPN-CYBMUJFWSA-N 2 2 210.365 2.417 20 30 BEEDLP C=CCCCCCC[N@@H+]1CC[C@@H]([NH2+]C)C1 ZINC000379812379 1169231458 /nfs/dbraw/zinc/23/14/58/1169231458.db2.gz OXJJOWFDFOUDPN-CYBMUJFWSA-N 2 2 210.365 2.417 20 30 BEEDLP N#C[C@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC001254649618 1169237893 /nfs/dbraw/zinc/23/78/93/1169237893.db2.gz QHKAHXLGCAIREW-MELADBBJSA-N 2 2 247.386 2.285 20 30 BEEDLP N#C[C@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC001254649618 1169237900 /nfs/dbraw/zinc/23/79/00/1169237900.db2.gz QHKAHXLGCAIREW-MELADBBJSA-N 2 2 247.386 2.285 20 30 BEEDLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)CCCC#N ZINC001172475864 974773252 /nfs/dbraw/zinc/77/32/52/974773252.db2.gz DHSXAQDJOYIVAK-OLZOCXBDSA-N 2 2 223.364 2.143 20 30 BEEDLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)CCCC#N ZINC001172475864 974773256 /nfs/dbraw/zinc/77/32/56/974773256.db2.gz DHSXAQDJOYIVAK-OLZOCXBDSA-N 2 2 223.364 2.143 20 30 BEEDLP CCCCCCCCC[N@@H+]1CC[NH2+]C[C@@H](O)C1 ZINC000310245028 971962182 /nfs/dbraw/zinc/96/21/82/971962182.db2.gz URKHETWHYAHBRM-CQSZACIVSA-N 2 2 242.407 2.003 20 30 BEEDLP CCCCCCCCC[N@H+]1CC[NH2+]C[C@@H](O)C1 ZINC000310245028 971962188 /nfs/dbraw/zinc/96/21/88/971962188.db2.gz URKHETWHYAHBRM-CQSZACIVSA-N 2 2 242.407 2.003 20 30 BEEDLP C=CC[NH2+]CC[N@@H+]1CCCC2(CCCC2)C1 ZINC001222401550 972461721 /nfs/dbraw/zinc/46/17/21/972461721.db2.gz VTFSMXVDFMXSIU-UHFFFAOYSA-N 2 2 222.376 2.418 20 30 BEEDLP C=CC[NH2+]CC[N@H+]1CCCC2(CCCC2)C1 ZINC001222401550 972461724 /nfs/dbraw/zinc/46/17/24/972461724.db2.gz VTFSMXVDFMXSIU-UHFFFAOYSA-N 2 2 222.376 2.418 20 30 BEEDLP CC[NH+](CC)CC[NH2+][C@@H](C)CC(C)(C)C#N ZINC000695779532 960457081 /nfs/dbraw/zinc/45/70/81/960457081.db2.gz QATQMYDTLYLXDJ-LBPRGKRZSA-N 2 2 225.380 2.246 20 30 BEEDLP CC[NH+](CC)C1CC[NH+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC001254670024 1169819597 /nfs/dbraw/zinc/81/95/97/1169819597.db2.gz YBOHZSDLVMNQJP-HIFRSBDPSA-N 2 2 249.402 2.485 20 30 BEEDLP C=CCCSCC[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000696088808 965237911 /nfs/dbraw/zinc/23/79/11/965237911.db2.gz CKWXASKSMGWGEE-RYUDHWBXSA-N 2 2 228.405 2.026 20 30 BEEDLP N#Cc1cccc(C[N@H+]2CCC[C@H]([NH3+])CC2)c1F ZINC001205130432 965931503 /nfs/dbraw/zinc/93/15/03/965931503.db2.gz DXXYKRZUTIOGDA-ZDUSSCGKSA-N 2 2 247.317 2.011 20 30 BEEDLP N#Cc1cccc(C[N@@H+]2CCC[C@H]([NH3+])CC2)c1F ZINC001205130432 965931515 /nfs/dbraw/zinc/93/15/15/965931515.db2.gz DXXYKRZUTIOGDA-ZDUSSCGKSA-N 2 2 247.317 2.011 20 30 BEEDLP C=CCOc1ccc(C[N@@H+](C)C[C@@H]([NH3+])CC)cc1 ZINC001236866176 966599157 /nfs/dbraw/zinc/59/91/57/966599157.db2.gz VQIKGNOIXMERBZ-AWEZNQCLSA-N 2 2 248.370 2.421 20 30 BEEDLP C=CCOc1ccc(C[N@H+](C)C[C@@H]([NH3+])CC)cc1 ZINC001236866176 966599163 /nfs/dbraw/zinc/59/91/63/966599163.db2.gz VQIKGNOIXMERBZ-AWEZNQCLSA-N 2 2 248.370 2.421 20 30 BEEDLP CC[C@H](CC#N)[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000715561484 967182602 /nfs/dbraw/zinc/18/26/02/967182602.db2.gz LFNOFHPRGWRZIJ-FRRDWIJNSA-N 2 2 223.364 2.141 20 30 BEEDLP CCCCCCCCC[N@H+]1C[C@H](O)C[C@H]([NH3+])C1 ZINC001204958020 967256766 /nfs/dbraw/zinc/25/67/66/967256766.db2.gz UYHZLLNKXMCBNA-UONOGXRCSA-N 2 2 242.407 2.131 20 30 BEEDLP CCCCCCCCC[N@@H+]1C[C@H](O)C[C@H]([NH3+])C1 ZINC001204958020 967256770 /nfs/dbraw/zinc/25/67/70/967256770.db2.gz UYHZLLNKXMCBNA-UONOGXRCSA-N 2 2 242.407 2.131 20 30 BEEDLP C#Cc1ccc(C[N@H+]2C[C@H](C)CC[C@H]2C[NH3+])cc1 ZINC001205831071 967842681 /nfs/dbraw/zinc/84/26/81/967842681.db2.gz WEZHZHNVCQESLI-CJNGLKHVSA-N 2 2 242.366 2.227 20 30 BEEDLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1(CC#N)CCCC1)C2 ZINC001169124394 969418329 /nfs/dbraw/zinc/41/83/29/969418329.db2.gz QYAZCDVDEBCIHL-BTTYYORXSA-N 2 2 247.386 2.428 20 30 BEEDLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1(CC#N)CCCC1)C2 ZINC001169124394 969418334 /nfs/dbraw/zinc/41/83/34/969418334.db2.gz QYAZCDVDEBCIHL-BTTYYORXSA-N 2 2 247.386 2.428 20 30 BEEDLP CCCC[N@H+](CCC#N)[C@@H]1CCC[NH+](C)CC1 ZINC001254522951 969706290 /nfs/dbraw/zinc/70/62/90/969706290.db2.gz KXOGYBLAGZKLGM-CQSZACIVSA-N 2 2 237.391 2.486 20 30 BEEDLP CCCC[N@@H+](CCC#N)[C@@H]1CCC[NH+](C)CC1 ZINC001254522951 969706303 /nfs/dbraw/zinc/70/63/03/969706303.db2.gz KXOGYBLAGZKLGM-CQSZACIVSA-N 2 2 237.391 2.486 20 30 BEEDLP CCCC[NH+](CCC#N)[C@@H]1CCC[N@H+](C)CC1 ZINC001254522951 969706318 /nfs/dbraw/zinc/70/63/18/969706318.db2.gz KXOGYBLAGZKLGM-CQSZACIVSA-N 2 2 237.391 2.486 20 30 BEEDLP CCCC[NH+](CCC#N)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254522951 969706327 /nfs/dbraw/zinc/70/63/27/969706327.db2.gz KXOGYBLAGZKLGM-CQSZACIVSA-N 2 2 237.391 2.486 20 30 BEEDLP CCC[N@H+](CCC[NH+](C)C)[C@@H](CC)CC#N ZINC001255179439 969994850 /nfs/dbraw/zinc/99/48/50/969994850.db2.gz PKSOSCIOILOKDK-ZDUSSCGKSA-N 2 2 225.380 2.342 20 30 BEEDLP CCC[N@@H+](CCC[NH+](C)C)[C@@H](CC)CC#N ZINC001255179439 969994861 /nfs/dbraw/zinc/99/48/61/969994861.db2.gz PKSOSCIOILOKDK-ZDUSSCGKSA-N 2 2 225.380 2.342 20 30 BEEDLP C=CCc1cc(C)c[nH+]c1NCC1C[NH+](C)C1 ZINC001170252462 970664014 /nfs/dbraw/zinc/66/40/14/970664014.db2.gz MVPXUULGGQWEKF-UHFFFAOYSA-N 2 2 231.343 2.092 20 30 BEEDLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC1(C#N)CCC1)C2 ZINC001172100820 974345166 /nfs/dbraw/zinc/34/51/66/974345166.db2.gz UMZSOVBTPDHDFK-ZSOGYDGISA-N 2 2 247.386 2.285 20 30 BEEDLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC1(C#N)CCC1)C2 ZINC001172100820 974345176 /nfs/dbraw/zinc/34/51/76/974345176.db2.gz UMZSOVBTPDHDFK-ZSOGYDGISA-N 2 2 247.386 2.285 20 30 BEEDLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC[C@](C)(C#N)C1)C2 ZINC001172130395 974356297 /nfs/dbraw/zinc/35/62/97/974356297.db2.gz OQRHJHLIKYETJN-CBBWQLFWSA-N 2 2 247.386 2.237 20 30 BEEDLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC[C@](C)(C#N)C1)C2 ZINC001172130395 974356305 /nfs/dbraw/zinc/35/63/05/974356305.db2.gz OQRHJHLIKYETJN-CBBWQLFWSA-N 2 2 247.386 2.237 20 30 BEEDLP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CC[C@](C)(C#N)C1)C2 ZINC001172130395 974356317 /nfs/dbraw/zinc/35/63/17/974356317.db2.gz OQRHJHLIKYETJN-CBBWQLFWSA-N 2 2 247.386 2.237 20 30 BEEDLP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CC[C@](C)(C#N)C1)C2 ZINC001172130395 974356331 /nfs/dbraw/zinc/35/63/31/974356331.db2.gz OQRHJHLIKYETJN-CBBWQLFWSA-N 2 2 247.386 2.237 20 30 BEEDLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC[C@](C)(C#N)C1)C2 ZINC001172130396 974357339 /nfs/dbraw/zinc/35/73/39/974357339.db2.gz OQRHJHLIKYETJN-LXTVHRRPSA-N 2 2 247.386 2.237 20 30 BEEDLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC[C@](C)(C#N)C1)C2 ZINC001172130396 974357347 /nfs/dbraw/zinc/35/73/47/974357347.db2.gz OQRHJHLIKYETJN-LXTVHRRPSA-N 2 2 247.386 2.237 20 30 BEEDLP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CC[C@](C)(C#N)C1)C2 ZINC001172130396 974357351 /nfs/dbraw/zinc/35/73/51/974357351.db2.gz OQRHJHLIKYETJN-LXTVHRRPSA-N 2 2 247.386 2.237 20 30 BEEDLP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CC[C@](C)(C#N)C1)C2 ZINC001172130396 974357358 /nfs/dbraw/zinc/35/73/58/974357358.db2.gz OQRHJHLIKYETJN-LXTVHRRPSA-N 2 2 247.386 2.237 20 30 BEEDLP Cc1[nH+]c2c(n1[C@H](C)CCCC#N)CC[NH2+]CC2 ZINC001172496361 974845871 /nfs/dbraw/zinc/84/58/71/974845871.db2.gz MEYVVLHWDQDHAT-LLVKDONJSA-N 2 2 246.358 2.135 20 30 BEEDLP C[C@@H]([NH3+])C[NH+]1CCC(c2cccc(C#N)c2)CC1 ZINC001235718404 979133020 /nfs/dbraw/zinc/13/30/20/979133020.db2.gz GTCDHKYSLHZALU-GFCCVEGCSA-N 2 2 243.354 2.085 20 30 BEEDLP CCCCCCCCCC[N@H+]1C[C@@H](O)[C@@H]([NH3+])C1 ZINC001235958065 979229610 /nfs/dbraw/zinc/22/96/10/979229610.db2.gz DVHHLNGWSIJHKX-UONOGXRCSA-N 2 2 242.407 2.131 20 30 BEEDLP CCCCCCCCCC[N@@H+]1C[C@@H](O)[C@@H]([NH3+])C1 ZINC001235958065 979229623 /nfs/dbraw/zinc/22/96/23/979229623.db2.gz DVHHLNGWSIJHKX-UONOGXRCSA-N 2 2 242.407 2.131 20 30 BEEDLP N#CC1(CC[N@H+]2CCC[C@@H]2C[NH3+])CCCCC1 ZINC001580038280 986437985 /nfs/dbraw/zinc/43/79/85/986437985.db2.gz JNNYQYUVWJJDFR-CYBMUJFWSA-N 2 2 235.375 2.274 20 30 BEEDLP N#CC1(CC[N@@H+]2CCC[C@@H]2C[NH3+])CCCCC1 ZINC001580038280 986438022 /nfs/dbraw/zinc/43/80/22/986438022.db2.gz JNNYQYUVWJJDFR-CYBMUJFWSA-N 2 2 235.375 2.274 20 30 BEEDLP CC(C)(C)C[N@H+]1CC[C@H]([NH2+][C@H]2CC[C@@H](C#N)C2)C1 ZINC001254647275 986700482 /nfs/dbraw/zinc/70/04/82/986700482.db2.gz BSAWXQOXKXGCNZ-RDBSUJKOSA-N 2 2 249.402 2.389 20 30 BEEDLP CC(C)(C)C[N@@H+]1CC[C@H]([NH2+][C@H]2CC[C@@H](C#N)C2)C1 ZINC001254647275 986700467 /nfs/dbraw/zinc/70/04/67/986700467.db2.gz BSAWXQOXKXGCNZ-RDBSUJKOSA-N 2 2 249.402 2.389 20 30 BEEDLP C=CCCCCCC[C@H](O)C[N@H+](CC)CC[NH3+] ZINC001246051711 987345192 /nfs/dbraw/zinc/34/51/92/987345192.db2.gz KAONLIIJTXRNPP-AWEZNQCLSA-N 2 2 242.407 2.155 20 30 BEEDLP C=CCCCCCC[C@H](O)C[N@@H+](CC)CC[NH3+] ZINC001246051711 987345205 /nfs/dbraw/zinc/34/52/05/987345205.db2.gz KAONLIIJTXRNPP-AWEZNQCLSA-N 2 2 242.407 2.155 20 30 BEEDLP CCCCCCCC[C@@H](O)C[N@@H+]1CC[C@H]([NH3+])C1 ZINC001246070912 987356565 /nfs/dbraw/zinc/35/65/65/987356565.db2.gz OVKGSXSRDBZCMU-UONOGXRCSA-N 2 2 242.407 2.131 20 30 BEEDLP CCCCCCCC[C@@H](O)C[N@H+]1CC[C@H]([NH3+])C1 ZINC001246070912 987356571 /nfs/dbraw/zinc/35/65/71/987356571.db2.gz OVKGSXSRDBZCMU-UONOGXRCSA-N 2 2 242.407 2.131 20 30 BEEDLP CCCCCCC[C@H](CC)[NH2+]CC[NH2+]CCO ZINC001246380234 987776491 /nfs/dbraw/zinc/77/64/91/987776491.db2.gz UOFDNCJVTZHPLE-AWEZNQCLSA-N 2 2 244.423 2.297 20 30 BEEDLP C[C@@H]1C[C@H]([N@H+](CCC#N)C2CCCC2)CC[NH2+]1 ZINC001246767337 988453928 /nfs/dbraw/zinc/45/39/28/988453928.db2.gz BWBHJHMUNLRKHA-TZMCWYRMSA-N 2 2 235.375 2.285 20 30 BEEDLP C[C@@H]1C[C@H]([N@@H+](CCC#N)C2CCCC2)CC[NH2+]1 ZINC001246767337 988453932 /nfs/dbraw/zinc/45/39/32/988453932.db2.gz BWBHJHMUNLRKHA-TZMCWYRMSA-N 2 2 235.375 2.285 20 30 BEEDLP CC1(C)CCC[N@H+](CC[C@H]2CCC[NH2+]C2)[C@@H]1C#N ZINC001576433794 993302906 /nfs/dbraw/zinc/30/29/06/993302906.db2.gz KASMAYCLTYKAPZ-ZIAGYGMSSA-N 2 2 249.402 2.390 20 30 BEEDLP CC1(C)CCC[N@@H+](CC[C@H]2CCC[NH2+]C2)[C@@H]1C#N ZINC001576433794 993302915 /nfs/dbraw/zinc/30/29/15/993302915.db2.gz KASMAYCLTYKAPZ-ZIAGYGMSSA-N 2 2 249.402 2.390 20 30 BEEDLP C=CCC[NH+]1CCC(c2c[nH+]cn2C)CC1 ZINC001308166767 995584072 /nfs/dbraw/zinc/58/40/72/995584072.db2.gz LKZRBYYXIBGCCB-UHFFFAOYSA-N 2 2 219.332 2.176 20 30 BEEDLP CC[C@H](C#N)[NH2+][C@@H](C)CCC[NH+](CC)CC ZINC000043539235 1171298518 /nfs/dbraw/zinc/29/85/18/1171298518.db2.gz ZPKMBKPWUYONNG-QWHCGFSZSA-N 2 2 225.380 2.389 20 30 BEEDLP C=CC[N@@H+](Cc1ccc(OC)cc1)C[C@@H](C)[NH3+] ZINC000442659977 398243177 /nfs/dbraw/zinc/24/31/77/398243177.db2.gz CIODJNVKKNGDRM-GFCCVEGCSA-N 2 2 234.343 2.030 20 30 BEEDLP C=CC[N@H+](Cc1ccc(OC)cc1)C[C@@H](C)[NH3+] ZINC000442659977 398243179 /nfs/dbraw/zinc/24/31/79/398243179.db2.gz CIODJNVKKNGDRM-GFCCVEGCSA-N 2 2 234.343 2.030 20 30 BEEDLP C[C@@H](CCC#N)C[N@@H+]1CCC[C@@H]1C[NH+]1CCCC1 ZINC000602449091 349550876 /nfs/dbraw/zinc/55/08/76/349550876.db2.gz CBDAAOSZMBFOPR-LSDHHAIUSA-N 2 2 249.402 2.486 20 30 BEEDLP C[C@@H](CCC#N)C[N@H+]1CCC[C@@H]1C[NH+]1CCCC1 ZINC000602449091 349550879 /nfs/dbraw/zinc/55/08/79/349550879.db2.gz CBDAAOSZMBFOPR-LSDHHAIUSA-N 2 2 249.402 2.486 20 30 BEEDLP CC(C)C[C@@H](C[NH2+]C[C@H](C)CCC#N)[NH+](C)C ZINC000602511274 349585200 /nfs/dbraw/zinc/58/52/00/349585200.db2.gz NVYSIBLAEGWNCD-KGLIPLIRSA-N 2 2 239.407 2.492 20 30 BEEDLP C[C@@H]1CCC[N@H+](CC[NH2+]C2CCC(C#N)CC2)C1 ZINC000602514534 349586985 /nfs/dbraw/zinc/58/69/85/349586985.db2.gz KQLLFFMHBKZXFJ-WLYUNCDWSA-N 2 2 249.402 2.390 20 30 BEEDLP C[C@@H]1CCC[N@@H+](CC[NH2+]C2CCC(C#N)CC2)C1 ZINC000602514534 349586988 /nfs/dbraw/zinc/58/69/88/349586988.db2.gz KQLLFFMHBKZXFJ-WLYUNCDWSA-N 2 2 249.402 2.390 20 30 BEEDLP C[C@@H](CCC#N)C[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000602565622 349617508 /nfs/dbraw/zinc/61/75/08/349617508.db2.gz QNINPTMXVHWRSU-GXTWGEPZSA-N 2 2 235.375 2.000 20 30 BEEDLP C[C@@H](CCC#N)C[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000602565622 349617510 /nfs/dbraw/zinc/61/75/10/349617510.db2.gz QNINPTMXVHWRSU-GXTWGEPZSA-N 2 2 235.375 2.000 20 30 BEEDLP C[C@H]1C[C@H]([NH+](C)CC2(CC#N)CC2)CC[N@@H+]1C ZINC000602778551 349744884 /nfs/dbraw/zinc/74/48/84/349744884.db2.gz LZOLYQDAXUHFHG-QWHCGFSZSA-N 2 2 235.375 2.095 20 30 BEEDLP C[C@H]1C[C@H]([NH+](C)CC2(CC#N)CC2)CC[N@H+]1C ZINC000602778551 349744887 /nfs/dbraw/zinc/74/48/87/349744887.db2.gz LZOLYQDAXUHFHG-QWHCGFSZSA-N 2 2 235.375 2.095 20 30 BEEDLP C[C@H]1C[C@H]([N@H+](C)CC2(CC#N)CC2)CC[NH+]1C ZINC000602778551 349744889 /nfs/dbraw/zinc/74/48/89/349744889.db2.gz LZOLYQDAXUHFHG-QWHCGFSZSA-N 2 2 235.375 2.095 20 30 BEEDLP C[C@H]1C[C@H]([N@@H+](C)CC2(CC#N)CC2)CC[NH+]1C ZINC000602778551 349744891 /nfs/dbraw/zinc/74/48/91/349744891.db2.gz LZOLYQDAXUHFHG-QWHCGFSZSA-N 2 2 235.375 2.095 20 30 BEEDLP N#CCC[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000380912292 344451657 /nfs/dbraw/zinc/45/16/57/344451657.db2.gz NKOKRJXJNXTIEI-OAHLLOKOSA-N 2 2 243.354 2.012 20 30 BEEDLP N#CCC[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000380912292 344451659 /nfs/dbraw/zinc/45/16/59/344451659.db2.gz NKOKRJXJNXTIEI-OAHLLOKOSA-N 2 2 243.354 2.012 20 30 BEEDLP C[C@@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1ccc(C#N)cc1 ZINC000235223330 344848846 /nfs/dbraw/zinc/84/88/46/344848846.db2.gz ZCNJKIYPGNRKOO-DOMZBBRYSA-N 2 2 243.354 2.351 20 30 BEEDLP C[C@H]1CC[N@H+](Cc2cccc(C#N)c2)[C@@H](C[NH3+])C1 ZINC000235670117 344974004 /nfs/dbraw/zinc/97/40/04/344974004.db2.gz UUGDNWFGBMPMLK-SWLSCSKDSA-N 2 2 243.354 2.117 20 30 BEEDLP C[C@H]1CC[N@@H+](Cc2cccc(C#N)c2)[C@@H](C[NH3+])C1 ZINC000235670117 344974007 /nfs/dbraw/zinc/97/40/07/344974007.db2.gz UUGDNWFGBMPMLK-SWLSCSKDSA-N 2 2 243.354 2.117 20 30 BEEDLP C=CC[C@H](C)[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000119841348 323084061 /nfs/dbraw/zinc/08/40/61/323084061.db2.gz SSXNMVCWYOMJEI-SRVKXCTJSA-N 2 2 208.349 2.166 20 30 BEEDLP CC#CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC000155889168 345112699 /nfs/dbraw/zinc/11/26/99/345112699.db2.gz VQUVCMMHIJMUMS-CABCVRRESA-N 2 2 234.387 2.347 20 30 BEEDLP CC#CCC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC000155889168 345112701 /nfs/dbraw/zinc/11/27/01/345112701.db2.gz VQUVCMMHIJMUMS-CABCVRRESA-N 2 2 234.387 2.347 20 30 BEEDLP CC#CCC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000155889168 345112704 /nfs/dbraw/zinc/11/27/04/345112704.db2.gz VQUVCMMHIJMUMS-CABCVRRESA-N 2 2 234.387 2.347 20 30 BEEDLP CC#CCC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000155889168 345112706 /nfs/dbraw/zinc/11/27/06/345112706.db2.gz VQUVCMMHIJMUMS-CABCVRRESA-N 2 2 234.387 2.347 20 30 BEEDLP CC#CCC[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000158334375 345316270 /nfs/dbraw/zinc/31/62/70/345316270.db2.gz JSZJXWDOFIPFFG-UHFFFAOYSA-N 2 2 239.322 2.375 20 30 BEEDLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1cccc(C#N)c1 ZINC000181580505 187308797 /nfs/dbraw/zinc/30/87/97/187308797.db2.gz HEYPRRKOYKHQQQ-IUODEOHRSA-N 2 2 243.354 2.303 20 30 BEEDLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1cccc(C#N)c1 ZINC000181580505 187308799 /nfs/dbraw/zinc/30/87/99/187308799.db2.gz HEYPRRKOYKHQQQ-IUODEOHRSA-N 2 2 243.354 2.303 20 30 BEEDLP C=CC[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000236660242 346281730 /nfs/dbraw/zinc/28/17/30/346281730.db2.gz TYUDMDDREBVQJG-UHFFFAOYSA-N 2 2 230.355 2.427 20 30 BEEDLP C#CC[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000364066339 347254478 /nfs/dbraw/zinc/25/44/78/347254478.db2.gz OJGGVQQBWRKKQU-HUUCEWRRSA-N 2 2 234.387 2.206 20 30 BEEDLP C#CC[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000364066339 347254479 /nfs/dbraw/zinc/25/44/79/347254479.db2.gz OJGGVQQBWRKKQU-HUUCEWRRSA-N 2 2 234.387 2.206 20 30 BEEDLP C#CC[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000364066339 347254482 /nfs/dbraw/zinc/25/44/82/347254482.db2.gz OJGGVQQBWRKKQU-HUUCEWRRSA-N 2 2 234.387 2.206 20 30 BEEDLP C#CC[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000364066339 347254484 /nfs/dbraw/zinc/25/44/84/347254484.db2.gz OJGGVQQBWRKKQU-HUUCEWRRSA-N 2 2 234.387 2.206 20 30 BEEDLP C=CCCC[N@H+]1C[C@H]([NH3+])[C@H](c2ccccc2)C1 ZINC000302323706 347516793 /nfs/dbraw/zinc/51/67/93/347516793.db2.gz FFSDORSFURIWCT-GJZGRUSLSA-N 2 2 230.355 2.379 20 30 BEEDLP C=CCCC[N@@H+]1C[C@H]([NH3+])[C@H](c2ccccc2)C1 ZINC000302323706 347516798 /nfs/dbraw/zinc/51/67/98/347516798.db2.gz FFSDORSFURIWCT-GJZGRUSLSA-N 2 2 230.355 2.379 20 30 BEEDLP C[C@@H](CCC#N)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591013255 347606301 /nfs/dbraw/zinc/60/63/01/347606301.db2.gz OPEIRYYNMPJLLG-STQMWFEESA-N 2 2 232.331 2.212 20 30 BEEDLP C[C@@H](CCC#N)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591013255 347606304 /nfs/dbraw/zinc/60/63/04/347606304.db2.gz OPEIRYYNMPJLLG-STQMWFEESA-N 2 2 232.331 2.212 20 30 BEEDLP CC(C)[NH2+][C@@H]1CCC[N@@H+]([C@@H]2CC[C@@H](C#N)C2)C1 ZINC000590166125 347608995 /nfs/dbraw/zinc/60/89/95/347608995.db2.gz QEAQLEVQPIWNSP-MGPQQGTHSA-N 2 2 235.375 2.141 20 30 BEEDLP CC(C)[NH2+][C@@H]1CCC[N@H+]([C@@H]2CC[C@@H](C#N)C2)C1 ZINC000590166125 347608998 /nfs/dbraw/zinc/60/89/98/347608998.db2.gz QEAQLEVQPIWNSP-MGPQQGTHSA-N 2 2 235.375 2.141 20 30 BEEDLP C[C@@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]1)c1cccc(C#N)c1 ZINC000591570985 347675858 /nfs/dbraw/zinc/67/58/58/347675858.db2.gz PRZDRGOBEHITAW-JMSVASOKSA-N 2 2 243.354 2.349 20 30 BEEDLP CC[C@@H]([NH2+]CC[NH2+]C1CC1)c1ccc(C#N)cc1 ZINC000591577261 347676946 /nfs/dbraw/zinc/67/69/46/347676946.db2.gz JZJMHIOWVNLQRC-OAHLLOKOSA-N 2 2 243.354 2.351 20 30 BEEDLP C=C[C@@H]1OCC[C@H]1[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000449521180 201952056 /nfs/dbraw/zinc/95/20/56/201952056.db2.gz RBJZOFIFZLPMSF-CABCVRRESA-N 2 2 246.354 2.256 20 30 BEEDLP CC(C)(C[NH+]1CCCC1)[NH2+]CC1(CC#N)CC1 ZINC000308634068 347943973 /nfs/dbraw/zinc/94/39/73/347943973.db2.gz KTPGYPBDCAJKKO-UHFFFAOYSA-N 2 2 235.375 2.144 20 30 BEEDLP CCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCC[C@H](C#N)C2)C1 ZINC000595097587 348194208 /nfs/dbraw/zinc/19/42/08/348194208.db2.gz YISQOGXQLONCSZ-IHRRRGAJSA-N 2 2 235.375 2.143 20 30 BEEDLP CCC[N@H+]1CC[C@H]([NH2+][C@H]2CCC[C@H](C#N)C2)C1 ZINC000595097587 348194209 /nfs/dbraw/zinc/19/42/09/348194209.db2.gz YISQOGXQLONCSZ-IHRRRGAJSA-N 2 2 235.375 2.143 20 30 BEEDLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](C#N)C2)C1 ZINC000595097588 348194258 /nfs/dbraw/zinc/19/42/58/348194258.db2.gz YISQOGXQLONCSZ-MCIONIFRSA-N 2 2 235.375 2.143 20 30 BEEDLP CCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](C#N)C2)C1 ZINC000595097588 348194259 /nfs/dbraw/zinc/19/42/59/348194259.db2.gz YISQOGXQLONCSZ-MCIONIFRSA-N 2 2 235.375 2.143 20 30 BEEDLP CC(C)[C@@](C)(C[NH3+])[NH2+]Cc1ccccc1C#N ZINC000598680064 349021937 /nfs/dbraw/zinc/02/19/37/349021937.db2.gz RZRRGXKLNXYXLR-CQSZACIVSA-N 2 2 231.343 2.021 20 30 BEEDLP CC#CCC[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000365622768 350397037 /nfs/dbraw/zinc/39/70/37/350397037.db2.gz KDIPOPGOFOOOOJ-ZDUSSCGKSA-N 2 2 231.343 2.013 20 30 BEEDLP CC#CCC[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000365622768 350397038 /nfs/dbraw/zinc/39/70/38/350397038.db2.gz KDIPOPGOFOOOOJ-ZDUSSCGKSA-N 2 2 231.343 2.013 20 30 BEEDLP CC(C)[NH+]1CCC([NH2+]Cc2ccc(C#N)o2)CC1 ZINC000135133338 187638392 /nfs/dbraw/zinc/63/83/92/187638392.db2.gz GGVKYRCYBIWREK-UHFFFAOYSA-N 2 2 247.342 2.114 20 30 BEEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)[C@@H]2CC2(F)F)CC1 ZINC000638524061 352356460 /nfs/dbraw/zinc/35/64/60/352356460.db2.gz KITGKTLCNBUGBJ-JQWIXIFHSA-N 2 2 244.329 2.270 20 30 BEEDLP N#CCC[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000411501131 191189217 /nfs/dbraw/zinc/18/92/17/191189217.db2.gz HIIUZDDFSGUFSX-UHFFFAOYSA-N 2 2 246.358 2.289 20 30 BEEDLP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]CCC#N ZINC000411556131 191194340 /nfs/dbraw/zinc/19/43/40/191194340.db2.gz XLAUNLORBDXCIJ-UONOGXRCSA-N 2 2 237.391 2.390 20 30 BEEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2ncc[nH]2)CC1 ZINC000428229057 538107828 /nfs/dbraw/zinc/10/78/28/538107828.db2.gz DTPKTKNPBXBWFV-LBPRGKRZSA-N 2 2 248.374 2.101 20 30 BEEDLP C=C(C)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000080958985 353394842 /nfs/dbraw/zinc/39/48/42/353394842.db2.gz LWACMMJGIGKQQU-LLVKDONJSA-N 2 2 205.305 2.165 20 30 BEEDLP C=C(C)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000080958985 353394844 /nfs/dbraw/zinc/39/48/44/353394844.db2.gz LWACMMJGIGKQQU-LLVKDONJSA-N 2 2 205.305 2.165 20 30 BEEDLP C=CCC[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000131928534 353375430 /nfs/dbraw/zinc/37/54/30/353375430.db2.gz PGPMDYJJWRNGRT-CYBMUJFWSA-N 2 2 218.300 2.111 20 30 BEEDLP C=CCC[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000131928534 353375435 /nfs/dbraw/zinc/37/54/35/353375435.db2.gz PGPMDYJJWRNGRT-CYBMUJFWSA-N 2 2 218.300 2.111 20 30 BEEDLP CC#CCC[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000285762975 353550409 /nfs/dbraw/zinc/55/04/09/353550409.db2.gz SJDDPNANDAPQQS-UHFFFAOYSA-N 2 2 248.370 2.447 20 30 BEEDLP CC#CCC[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000285762975 353550410 /nfs/dbraw/zinc/55/04/10/353550410.db2.gz SJDDPNANDAPQQS-UHFFFAOYSA-N 2 2 248.370 2.447 20 30 BEEDLP CC#CCC[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000285762975 353550412 /nfs/dbraw/zinc/55/04/12/353550412.db2.gz SJDDPNANDAPQQS-UHFFFAOYSA-N 2 2 248.370 2.447 20 30 BEEDLP CC#CCC[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000285762975 353550413 /nfs/dbraw/zinc/55/04/13/353550413.db2.gz SJDDPNANDAPQQS-UHFFFAOYSA-N 2 2 248.370 2.447 20 30 BEEDLP C=CCC[C@H](CO)[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000449694204 202003236 /nfs/dbraw/zinc/00/32/36/202003236.db2.gz ASYJGUXVBKUKMU-OAHLLOKOSA-N 2 2 248.370 2.239 20 30 BEEDLP C=CCC[C@@H](CO)[NH2+]CCCc1c[nH+]ccc1C ZINC000449697028 202003882 /nfs/dbraw/zinc/00/38/82/202003882.db2.gz JRCCSBKXGWJCPE-HNNXBMFYSA-N 2 2 248.370 2.239 20 30 BEEDLP C=CCOc1cccc(C[N@H+]2CCC[C@H]([NH3+])C2)c1 ZINC000346084429 354868439 /nfs/dbraw/zinc/86/84/39/354868439.db2.gz GNXNZHRDAIEFPO-AWEZNQCLSA-N 2 2 246.354 2.175 20 30 BEEDLP C=CCOc1cccc(C[N@@H+]2CCC[C@H]([NH3+])C2)c1 ZINC000346084429 354868441 /nfs/dbraw/zinc/86/84/41/354868441.db2.gz GNXNZHRDAIEFPO-AWEZNQCLSA-N 2 2 246.354 2.175 20 30 BEEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccccn2)CC1 ZINC000106245899 355772091 /nfs/dbraw/zinc/77/20/91/355772091.db2.gz AVRBZOJWOZJMHI-UHFFFAOYSA-N 2 2 245.370 2.212 20 30 BEEDLP N#CCC[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000425986647 191841057 /nfs/dbraw/zinc/84/10/57/191841057.db2.gz GFEROGOINAEQIH-UHFFFAOYSA-N 2 2 235.375 2.287 20 30 BEEDLP C[C@H](CCC#N)[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000351614938 356028808 /nfs/dbraw/zinc/02/88/08/356028808.db2.gz JIPIYVNLPMZQJX-CYBMUJFWSA-N 2 2 235.375 2.239 20 30 BEEDLP C[C@H]1C[C@H]([NH+](C)CC2(C#N)CCC2)CC[N@@H+]1C ZINC000336186452 134121801 /nfs/dbraw/zinc/12/18/01/134121801.db2.gz VGDRWSAYZSESDH-QWHCGFSZSA-N 2 2 235.375 2.095 20 30 BEEDLP C[C@H]1C[C@H]([NH+](C)CC2(C#N)CCC2)CC[N@H+]1C ZINC000336186452 134121802 /nfs/dbraw/zinc/12/18/02/134121802.db2.gz VGDRWSAYZSESDH-QWHCGFSZSA-N 2 2 235.375 2.095 20 30 BEEDLP C[C@H]1C[C@H]([N@H+](C)CC2(C#N)CCC2)CC[NH+]1C ZINC000336186452 134121803 /nfs/dbraw/zinc/12/18/03/134121803.db2.gz VGDRWSAYZSESDH-QWHCGFSZSA-N 2 2 235.375 2.095 20 30 BEEDLP C[C@H]1C[C@H]([N@@H+](C)CC2(C#N)CCC2)CC[NH+]1C ZINC000336186452 134121804 /nfs/dbraw/zinc/12/18/04/134121804.db2.gz VGDRWSAYZSESDH-QWHCGFSZSA-N 2 2 235.375 2.095 20 30 BEEDLP C[C@@H]([NH2+]Cc1c[nH+]c[nH]1)c1cccc(C#N)c1 ZINC000088750853 356807839 /nfs/dbraw/zinc/80/78/39/356807839.db2.gz AOKPOHKMPUKNGF-SNVBAGLBSA-N 2 2 226.283 2.132 20 30 BEEDLP N#CCCC1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000399281663 357901325 /nfs/dbraw/zinc/90/13/25/357901325.db2.gz LHMZEQDUPOBQHO-UHFFFAOYSA-N 2 2 246.358 2.289 20 30 BEEDLP CC[N@@H+]1CCC[C@@H]([NH2+]CC(C)(C)CCC#N)C1 ZINC000135161387 325398155 /nfs/dbraw/zinc/39/81/55/325398155.db2.gz ZSXHUCNTOATTHA-CYBMUJFWSA-N 2 2 237.391 2.390 20 30 BEEDLP CC[N@H+]1CCC[C@@H]([NH2+]CC(C)(C)CCC#N)C1 ZINC000135161387 325398157 /nfs/dbraw/zinc/39/81/57/325398157.db2.gz ZSXHUCNTOATTHA-CYBMUJFWSA-N 2 2 237.391 2.390 20 30 BEEDLP C=CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000308823526 491138488 /nfs/dbraw/zinc/13/84/88/491138488.db2.gz CUYOVIMWMHPNCK-YNEHKIRRSA-N 2 2 210.365 2.271 20 30 BEEDLP C=CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000308823526 491138489 /nfs/dbraw/zinc/13/84/89/491138489.db2.gz CUYOVIMWMHPNCK-YNEHKIRRSA-N 2 2 210.365 2.271 20 30 BEEDLP C=C(CC)C[N@@H+]1CCC[C@H]([NH2+]C(C)C)C1 ZINC000309109301 491145084 /nfs/dbraw/zinc/14/50/84/491145084.db2.gz JEBSLCSVTKAULJ-ZDUSSCGKSA-N 2 2 210.365 2.415 20 30 BEEDLP C=C(CC)C[N@H+]1CCC[C@H]([NH2+]C(C)C)C1 ZINC000309109301 491145085 /nfs/dbraw/zinc/14/50/85/491145085.db2.gz JEBSLCSVTKAULJ-ZDUSSCGKSA-N 2 2 210.365 2.415 20 30 BEEDLP CC(C)(C#N)C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000612584948 359897011 /nfs/dbraw/zinc/89/70/11/359897011.db2.gz IYDPNBGJSXMTTI-UHFFFAOYSA-N 2 2 235.375 2.000 20 30 BEEDLP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1ccc(C#N)c(F)c1 ZINC000600714933 364012910 /nfs/dbraw/zinc/01/29/10/364012910.db2.gz VQSHQSMXSJIERE-PKFCDNJMSA-N 2 2 247.317 2.098 20 30 BEEDLP C[C@H](C[NH2+][C@H]1CC[C@H](C#N)C1)[NH+]1CCC(C)CC1 ZINC000442792709 192991587 /nfs/dbraw/zinc/99/15/87/192991587.db2.gz MWRPIHHACDPLBI-ILXRZTDVSA-N 2 2 249.402 2.389 20 30 BEEDLP CC(C)(C)[NH2+]CC[NH+]1CCC(CCC#N)CC1 ZINC000574638494 365109193 /nfs/dbraw/zinc/10/91/93/365109193.db2.gz WAQIOLRUDSRSJQ-UHFFFAOYSA-N 2 2 237.391 2.390 20 30 BEEDLP C=C(CC)C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000576118434 365493104 /nfs/dbraw/zinc/49/31/04/365493104.db2.gz LWWACQARHPQECL-LBPRGKRZSA-N 2 2 219.332 2.176 20 30 BEEDLP C=C(CC)C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000576118434 365493109 /nfs/dbraw/zinc/49/31/09/365493109.db2.gz LWWACQARHPQECL-LBPRGKRZSA-N 2 2 219.332 2.176 20 30 BEEDLP C=CC[C@H](C)[C@H](C)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000252715013 367828742 /nfs/dbraw/zinc/82/87/42/367828742.db2.gz UIGRHHWEVIKLDL-RWMBFGLXSA-N 2 2 210.365 2.271 20 30 BEEDLP C=CC[C@H](C)[C@H](C)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000252715013 367828747 /nfs/dbraw/zinc/82/87/47/367828747.db2.gz UIGRHHWEVIKLDL-RWMBFGLXSA-N 2 2 210.365 2.271 20 30 BEEDLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000582014052 368154046 /nfs/dbraw/zinc/15/40/46/368154046.db2.gz FYTZXJABAVZKPN-KKUMJFAQSA-N 2 2 249.402 2.389 20 30 BEEDLP N#C[C@@H]1CCC[C@@H]([NH2+]CCCCn2cc[nH+]c2)C1 ZINC000618565189 369174084 /nfs/dbraw/zinc/17/40/84/369174084.db2.gz JZMDOHAFAGXPNI-ZIAGYGMSSA-N 2 2 246.358 2.335 20 30 BEEDLP C=CC[C@@H](C)[C@@H](C)[NH2+]CCc1cn(C)c[nH+]1 ZINC000459658914 203331397 /nfs/dbraw/zinc/33/13/97/203331397.db2.gz JLSQGOABSYDAID-VXGBXAGGSA-N 2 2 221.348 2.153 20 30 BEEDLP CC[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1ccc(C#N)cc1 ZINC000600714942 369560799 /nfs/dbraw/zinc/56/07/99/369560799.db2.gz VVIXJQMAVDMWDF-TUKIKUTGSA-N 2 2 243.354 2.349 20 30 BEEDLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000600711533 369561478 /nfs/dbraw/zinc/56/14/78/369561478.db2.gz UWEBNNHAUCGLTR-TUKIKUTGSA-N 2 2 243.354 2.349 20 30 BEEDLP N#Cc1ccc(C[NH2+]CC2([NH3+])CCCCCC2)o1 ZINC000600770227 369566196 /nfs/dbraw/zinc/56/61/96/369566196.db2.gz WWCZNTQCERFYHP-UHFFFAOYSA-N 2 2 247.342 2.293 20 30 BEEDLP C[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2)[C@H]1C[NH3+] ZINC000252213194 370002535 /nfs/dbraw/zinc/00/25/35/370002535.db2.gz WXOJJJZGDYXRQW-DOMZBBRYSA-N 2 2 243.354 2.117 20 30 BEEDLP C[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)[C@H]1C[NH3+] ZINC000252213194 370002541 /nfs/dbraw/zinc/00/25/41/370002541.db2.gz WXOJJJZGDYXRQW-DOMZBBRYSA-N 2 2 243.354 2.117 20 30 BEEDLP C[C@H]([NH2+][C@@H]1CCC[N@H+](C)C1)c1cccc(C#N)c1 ZINC000040673125 373592040 /nfs/dbraw/zinc/59/20/40/373592040.db2.gz CVSIARMOESSYAQ-SWLSCSKDSA-N 2 2 243.354 2.303 20 30 BEEDLP C[C@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)c1cccc(C#N)c1 ZINC000040673125 373592045 /nfs/dbraw/zinc/59/20/45/373592045.db2.gz CVSIARMOESSYAQ-SWLSCSKDSA-N 2 2 243.354 2.303 20 30 BEEDLP Cc1cccn2c(C[NH2+]CCCCC#N)c[nH+]c12 ZINC000174347708 374183689 /nfs/dbraw/zinc/18/36/89/374183689.db2.gz UDZFEWLUHXZGAM-UHFFFAOYSA-N 2 2 242.326 2.426 20 30 BEEDLP CCC[N@H+](Cc1ccc(C#N)cc1)[C@@H]1CC[NH2+]C1 ZINC000071314728 169174872 /nfs/dbraw/zinc/17/48/72/169174872.db2.gz RQVPSPJPTOOODT-OAHLLOKOSA-N 2 2 243.354 2.132 20 30 BEEDLP CCC[N@@H+](Cc1ccc(C#N)cc1)[C@@H]1CC[NH2+]C1 ZINC000071314728 169174874 /nfs/dbraw/zinc/17/48/74/169174874.db2.gz RQVPSPJPTOOODT-OAHLLOKOSA-N 2 2 243.354 2.132 20 30 BEEDLP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000423463544 384574200 /nfs/dbraw/zinc/57/42/00/384574200.db2.gz LHOHFEFGEIGQEM-JOYOIKCWSA-N 2 2 235.306 2.085 20 30 BEEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000361435186 384567000 /nfs/dbraw/zinc/56/70/00/384567000.db2.gz KDWYJZNYSYVDBK-OSFYFWSMSA-N 2 2 247.386 2.141 20 30 BEEDLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000361435186 384567008 /nfs/dbraw/zinc/56/70/08/384567008.db2.gz KDWYJZNYSYVDBK-OSFYFWSMSA-N 2 2 247.386 2.141 20 30 BEEDLP C=CCC[C@H](C)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000126757826 384801890 /nfs/dbraw/zinc/80/18/90/384801890.db2.gz YGTSGKUFXDIEMJ-RYUDHWBXSA-N 2 2 207.321 2.216 20 30 BEEDLP C=CC(C)(C)C[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000449487651 385229839 /nfs/dbraw/zinc/22/98/39/385229839.db2.gz ZUOCNWYMWOKMOX-YPMHNXCESA-N 2 2 222.376 2.271 20 30 BEEDLP C=CC(C)(C)C[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000449487651 385229841 /nfs/dbraw/zinc/22/98/41/385229841.db2.gz ZUOCNWYMWOKMOX-YPMHNXCESA-N 2 2 222.376 2.271 20 30 BEEDLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1cccc(C#N)c1 ZINC000181580453 385516365 /nfs/dbraw/zinc/51/63/65/385516365.db2.gz HEYPRRKOYKHQQQ-WFASDCNBSA-N 2 2 243.354 2.303 20 30 BEEDLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1cccc(C#N)c1 ZINC000181580453 385516368 /nfs/dbraw/zinc/51/63/68/385516368.db2.gz HEYPRRKOYKHQQQ-WFASDCNBSA-N 2 2 243.354 2.303 20 30 BEEDLP C=CCOc1ccccc1C[NH2+]C[C@@H]([NH3+])CC ZINC000414988331 386128893 /nfs/dbraw/zinc/12/88/93/386128893.db2.gz ZQLSRYRJDXUSKD-ZDUSSCGKSA-N 2 2 234.343 2.078 20 30 BEEDLP C=CC[C@H](C)[C@H](C)[NH2+]CC1([NH+](C)C)CC1 ZINC000417357736 386492790 /nfs/dbraw/zinc/49/27/90/386492790.db2.gz RXQNDEGHJOXBRS-RYUDHWBXSA-N 2 2 210.365 2.271 20 30 BEEDLP C=CC[C@@H](C)[C@@H](C)[NH2+]CC1([NH+](C)C)CC1 ZINC000417357737 386494159 /nfs/dbraw/zinc/49/41/59/386494159.db2.gz RXQNDEGHJOXBRS-VXGBXAGGSA-N 2 2 210.365 2.271 20 30 BEEDLP CC1CC[NH+](CC[NH2+][C@H]2CC[C@@H](C#N)C2)CC1 ZINC000442725921 386576716 /nfs/dbraw/zinc/57/67/16/386576716.db2.gz QOIMCRZXBITQPY-KGLIPLIRSA-N 2 2 235.375 2.000 20 30 BEEDLP C=CCOc1ccccc1C[NH2+]C[C@H]([NH3+])C(C)C ZINC000414787366 386531931 /nfs/dbraw/zinc/53/19/31/386531931.db2.gz CGCFMOLGRBHLSN-AWEZNQCLSA-N 2 2 248.370 2.324 20 30 BEEDLP C=CCC[N@@H+]1CCc2ccccc2[C@H]1C[NH3+] ZINC000647995859 386558794 /nfs/dbraw/zinc/55/87/94/386558794.db2.gz QNLMMNHBMDPIJF-CQSZACIVSA-N 2 2 216.328 2.121 20 30 BEEDLP C=CCC[N@H+]1CCc2ccccc2[C@H]1C[NH3+] ZINC000647995859 386558798 /nfs/dbraw/zinc/55/87/98/386558798.db2.gz QNLMMNHBMDPIJF-CQSZACIVSA-N 2 2 216.328 2.121 20 30 BEEDLP C=CC[NH+]1CCC([NH2+][C@H]2CS[C@H](C)C2)CC1 ZINC000638523750 386857047 /nfs/dbraw/zinc/85/70/47/386857047.db2.gz GGPCCXSFDNSHRE-DGCLKSJQSA-N 2 2 240.416 2.120 20 30 BEEDLP N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000442792502 387841069 /nfs/dbraw/zinc/84/10/69/387841069.db2.gz QHKAHXLGCAIREW-HZSPNIEDSA-N 2 2 247.386 2.285 20 30 BEEDLP N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000442792502 387841077 /nfs/dbraw/zinc/84/10/77/387841077.db2.gz QHKAHXLGCAIREW-HZSPNIEDSA-N 2 2 247.386 2.285 20 30 BEEDLP C=C(C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000423032131 387848569 /nfs/dbraw/zinc/84/85/69/387848569.db2.gz VSLKNOLFQHDNAQ-ZFWWWQNUSA-N 2 2 230.355 2.430 20 30 BEEDLP N#C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000442857411 387851671 /nfs/dbraw/zinc/85/16/71/387851671.db2.gz FPRCQWYRRVPASH-NFAWXSAZSA-N 2 2 247.386 2.285 20 30 BEEDLP N#C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCCC[N@H+]2C2CC2)C1 ZINC000442857411 387851675 /nfs/dbraw/zinc/85/16/75/387851675.db2.gz FPRCQWYRRVPASH-NFAWXSAZSA-N 2 2 247.386 2.285 20 30 BEEDLP C[C@@H]1[C@H]([NH2+][C@@H]2CCC[C@H](C#N)C2)CCC[N@@H+]1C ZINC000446763562 388036905 /nfs/dbraw/zinc/03/69/05/388036905.db2.gz WXDKMNVASQNYLG-XJFOESAGSA-N 2 2 235.375 2.141 20 30 BEEDLP C[C@@H]1[C@H]([NH2+][C@@H]2CCC[C@H](C#N)C2)CCC[N@H+]1C ZINC000446763562 388036909 /nfs/dbraw/zinc/03/69/09/388036909.db2.gz WXDKMNVASQNYLG-XJFOESAGSA-N 2 2 235.375 2.141 20 30 BEEDLP CC[NH2+]CC[NH2+][C@@H](CC)c1ccc(C#N)cc1 ZINC000423245565 388689387 /nfs/dbraw/zinc/68/93/87/388689387.db2.gz YQPSFUVPPNPKSZ-AWEZNQCLSA-N 2 2 231.343 2.208 20 30 BEEDLP CC(C)[C@H]([NH3+])C[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000423272210 388690388 /nfs/dbraw/zinc/69/03/88/388690388.db2.gz JPYSHYKLPZSZSV-QMTHXVAHSA-N 2 2 249.333 2.331 20 30 BEEDLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@H]1C)c1cccc(C#N)c1 ZINC000423358309 388690676 /nfs/dbraw/zinc/69/06/76/388690676.db2.gz JICDPUIJRGUCNU-TYNCELHUSA-N 2 2 243.354 2.207 20 30 BEEDLP C=CCCCCC[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000565906126 388977702 /nfs/dbraw/zinc/97/77/02/388977702.db2.gz XPPGOPNONCJMCJ-UONOGXRCSA-N 2 2 240.391 2.089 20 30 BEEDLP C=CC[N@H+](C)CCCc1ccc(C)[nH+]c1 ZINC000354628812 134169473 /nfs/dbraw/zinc/16/94/73/134169473.db2.gz BPDQYDMYDDHIPQ-UHFFFAOYSA-N 2 2 204.317 2.440 20 30 BEEDLP C=CC[N@@H+](C)CCCc1ccc(C)[nH+]c1 ZINC000354628812 134169474 /nfs/dbraw/zinc/16/94/74/134169474.db2.gz BPDQYDMYDDHIPQ-UHFFFAOYSA-N 2 2 204.317 2.440 20 30 BEEDLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)CC(C)(C)C#N ZINC000359745340 134196748 /nfs/dbraw/zinc/19/67/48/134196748.db2.gz POBKOCFWLFGBIN-ZDUSSCGKSA-N 2 2 237.391 2.342 20 30 BEEDLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)CC(C)(C)C#N ZINC000359745340 134196749 /nfs/dbraw/zinc/19/67/49/134196749.db2.gz POBKOCFWLFGBIN-ZDUSSCGKSA-N 2 2 237.391 2.342 20 30 BEEDLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)CC(C)(C)C#N ZINC000359745340 134196750 /nfs/dbraw/zinc/19/67/50/134196750.db2.gz POBKOCFWLFGBIN-ZDUSSCGKSA-N 2 2 237.391 2.342 20 30 BEEDLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)CC(C)(C)C#N ZINC000359745340 134196751 /nfs/dbraw/zinc/19/67/51/134196751.db2.gz POBKOCFWLFGBIN-ZDUSSCGKSA-N 2 2 237.391 2.342 20 30 BEEDLP CCCC[N@H+](C)CC[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000361460548 134205599 /nfs/dbraw/zinc/20/55/99/134205599.db2.gz ZEGUVULCVPCVGJ-KGLIPLIRSA-N 2 2 237.391 2.390 20 30 BEEDLP CCCC[N@@H+](C)CC[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000361460548 134205600 /nfs/dbraw/zinc/20/56/00/134205600.db2.gz ZEGUVULCVPCVGJ-KGLIPLIRSA-N 2 2 237.391 2.390 20 30 BEEDLP CC[N@H+](CC[NH2+][C@@H]1CCC[C@H](C#N)C1)C1CC1 ZINC000185807428 134391286 /nfs/dbraw/zinc/39/12/86/134391286.db2.gz DFGONDXVTIUMMT-QWHCGFSZSA-N 2 2 235.375 2.143 20 30 BEEDLP CC[N@@H+](CC[NH2+][C@@H]1CCC[C@H](C#N)C1)C1CC1 ZINC000185807428 134391287 /nfs/dbraw/zinc/39/12/87/134391287.db2.gz DFGONDXVTIUMMT-QWHCGFSZSA-N 2 2 235.375 2.143 20 30 BEEDLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H](C#N)C2)C[N@@H+]1C1CC1 ZINC000248870537 135023631 /nfs/dbraw/zinc/02/36/31/135023631.db2.gz QNGSKWVUNKUJDI-SYQHCUMBSA-N 2 2 247.386 2.284 20 30 BEEDLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H](C#N)C2)C[N@H+]1C1CC1 ZINC000248870537 135023632 /nfs/dbraw/zinc/02/36/32/135023632.db2.gz QNGSKWVUNKUJDI-SYQHCUMBSA-N 2 2 247.386 2.284 20 30 BEEDLP C[C@H](CC#N)[NH+](C)C/C=C\C[N@@H+](C)[C@H](C)CC#N ZINC000255060192 135128480 /nfs/dbraw/zinc/12/84/80/135128480.db2.gz ZVVIGZNAECGDAF-HLMASZERSA-N 2 2 248.374 2.011 20 30 BEEDLP C[C@H](CC#N)[NH+](C)C/C=C\C[N@H+](C)[C@H](C)CC#N ZINC000255060192 135128482 /nfs/dbraw/zinc/12/84/82/135128482.db2.gz ZVVIGZNAECGDAF-HLMASZERSA-N 2 2 248.374 2.011 20 30 BEEDLP N#CCCCC[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000266799070 135148656 /nfs/dbraw/zinc/14/86/56/135148656.db2.gz YQSXVHGOIVZCHR-UHFFFAOYSA-N 2 2 232.331 2.283 20 30 BEEDLP C=CCOc1cccc(C[N@@H+]2C[C@H]([NH3+])[C@@H](C)C2)c1 ZINC000262032260 135274917 /nfs/dbraw/zinc/27/49/17/135274917.db2.gz OEBXBNBZNMHLJT-WFASDCNBSA-N 2 2 246.354 2.030 20 30 BEEDLP C=CCOc1cccc(C[N@H+]2C[C@H]([NH3+])[C@@H](C)C2)c1 ZINC000262032260 135274918 /nfs/dbraw/zinc/27/49/18/135274918.db2.gz OEBXBNBZNMHLJT-WFASDCNBSA-N 2 2 246.354 2.030 20 30 BEEDLP Cc1cc(C[NH2+]C[C@@H]2CCC[N@H+]2C)ccc1C#N ZINC000443984385 398086006 /nfs/dbraw/zinc/08/60/06/398086006.db2.gz IXPLVXXKJQBKOU-HNNXBMFYSA-N 2 2 243.354 2.051 20 30 BEEDLP Cc1cc(C[NH2+]C[C@@H]2CCC[N@@H+]2C)ccc1C#N ZINC000443984385 398086009 /nfs/dbraw/zinc/08/60/09/398086009.db2.gz IXPLVXXKJQBKOU-HNNXBMFYSA-N 2 2 243.354 2.051 20 30 BEEDLP C=CCC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000267403890 166264853 /nfs/dbraw/zinc/26/48/53/166264853.db2.gz GQJWBXFFDHJRQK-LLVKDONJSA-N 2 2 205.305 2.165 20 30 BEEDLP C=CCC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000267403890 166264855 /nfs/dbraw/zinc/26/48/55/166264855.db2.gz GQJWBXFFDHJRQK-LLVKDONJSA-N 2 2 205.305 2.165 20 30 BEEDLP C=CC[C@H]1CC[C@H]([NH2+]CCn2cc[nH+]c2)C1 ZINC000651668784 411134056 /nfs/dbraw/zinc/13/40/56/411134056.db2.gz YZVNPUGVVZVXGP-STQMWFEESA-N 2 2 219.332 2.218 20 30 BEEDLP C[C@@H](CCC#N)C[NH2+]CC[NH+]1CCC(C)CC1 ZINC000602516340 411296343 /nfs/dbraw/zinc/29/63/43/411296343.db2.gz ZHVUUQOBIHNJAK-AWEZNQCLSA-N 2 2 237.391 2.248 20 30 BEEDLP C=CC(C)(C)C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657481892 411527123 /nfs/dbraw/zinc/52/71/23/411527123.db2.gz ZOMNVOFIVZODGN-UHFFFAOYSA-N 2 2 219.332 2.131 20 30 BEEDLP C=CCOCCC[NH2+]Cc1cccc2[nH+]ccn21 ZINC000657657778 411571809 /nfs/dbraw/zinc/57/18/09/411571809.db2.gz BZJSYWBMSKUKLD-UHFFFAOYSA-N 2 2 245.326 2.017 20 30 BEEDLP C=CCCC[C@@H](C)[N@@H+]1CCn2c[nH+]cc2C1 ZINC000660582136 411603021 /nfs/dbraw/zinc/60/30/21/411603021.db2.gz PANHBCYFMOQSAB-GFCCVEGCSA-N 2 2 219.332 2.444 20 30 BEEDLP C=CCCC[C@@H](C)[N@H+]1CCn2c[nH+]cc2C1 ZINC000660582136 411603023 /nfs/dbraw/zinc/60/30/23/411603023.db2.gz PANHBCYFMOQSAB-GFCCVEGCSA-N 2 2 219.332 2.444 20 30 BEEDLP C=CC[N@@H+](CCn1cc[nH+]c1)C(C)(C)C ZINC000661760451 411872051 /nfs/dbraw/zinc/87/20/51/411872051.db2.gz UAJWXWILICPXRZ-UHFFFAOYSA-N 2 2 207.321 2.170 20 30 BEEDLP C=CC[N@H+](CCn1cc[nH+]c1)C(C)(C)C ZINC000661760451 411872052 /nfs/dbraw/zinc/87/20/52/411872052.db2.gz UAJWXWILICPXRZ-UHFFFAOYSA-N 2 2 207.321 2.170 20 30 BEEDLP C[C@H](CCCC#N)[N@@H+]1C[C@H]2CCC[NH+](C)[C@@H]2C1 ZINC001172508962 974863547 /nfs/dbraw/zinc/86/35/47/974863547.db2.gz ICFZVWWMURMNLZ-MGPQQGTHSA-N 2 2 235.375 2.095 20 30 BEEDLP C[C@H](CCCC#N)[N@H+]1C[C@H]2CCC[NH+](C)[C@@H]2C1 ZINC001172508962 974863551 /nfs/dbraw/zinc/86/35/51/974863551.db2.gz ICFZVWWMURMNLZ-MGPQQGTHSA-N 2 2 235.375 2.095 20 30 BEEDLP C[C@H](CCCC#N)[NH+]1C[C@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001172508962 974863555 /nfs/dbraw/zinc/86/35/55/974863555.db2.gz ICFZVWWMURMNLZ-MGPQQGTHSA-N 2 2 235.375 2.095 20 30 BEEDLP C[C@H](CCCC#N)[NH+]1C[C@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001172508962 974863558 /nfs/dbraw/zinc/86/35/58/974863558.db2.gz ICFZVWWMURMNLZ-MGPQQGTHSA-N 2 2 235.375 2.095 20 30 BEEDLP C[C@@H]1CC[N@H+](Cc2cccc(C#N)c2)[C@H](C[NH3+])C1 ZINC000300094080 176176462 /nfs/dbraw/zinc/17/64/62/176176462.db2.gz UUGDNWFGBMPMLK-DOMZBBRYSA-N 2 2 243.354 2.117 20 30 BEEDLP C[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2)[C@H](C[NH3+])C1 ZINC000300094080 176176464 /nfs/dbraw/zinc/17/64/64/176176464.db2.gz UUGDNWFGBMPMLK-DOMZBBRYSA-N 2 2 243.354 2.117 20 30 BEEDLP CC#CCC[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000680885825 487665246 /nfs/dbraw/zinc/66/52/46/487665246.db2.gz NELWLPHBTWEXJC-UHFFFAOYSA-N 2 2 217.316 2.003 20 30 BEEDLP C=CCCC[N@H+]1CC2CCC1(C[NH3+])CC2 ZINC000572734772 323040632 /nfs/dbraw/zinc/04/06/32/323040632.db2.gz JPCVOWCYDYJQMA-UHFFFAOYSA-N 2 2 208.349 2.156 20 30 BEEDLP C=CCCC[N@@H+]1CC2CCC1(C[NH3+])CC2 ZINC000572734772 323040633 /nfs/dbraw/zinc/04/06/33/323040633.db2.gz JPCVOWCYDYJQMA-UHFFFAOYSA-N 2 2 208.349 2.156 20 30 BEEDLP C=CC[C@H](C)[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000119841348 323084060 /nfs/dbraw/zinc/08/40/60/323084060.db2.gz SSXNMVCWYOMJEI-SRVKXCTJSA-N 2 2 208.349 2.166 20 30 BEEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCC[C@H]3C[C@H]32)CC1 ZINC000554724984 325734954 /nfs/dbraw/zinc/73/49/54/325734954.db2.gz GMUOBYPZCUVQOG-NWANDNLSSA-N 2 2 234.387 2.415 20 30 BEEDLP C=CCCCCC[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000565906124 325973309 /nfs/dbraw/zinc/97/33/09/325973309.db2.gz XPPGOPNONCJMCJ-KBPBESRZSA-N 2 2 240.391 2.089 20 30 BEEDLP C=CC[C@H](C)[C@H](C)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000353605894 534359540 /nfs/dbraw/zinc/35/95/40/534359540.db2.gz CKPLJIIHUKGBHQ-SRVKXCTJSA-N 2 2 233.359 2.457 20 30 BEEDLP C=CC[C@H](C)[C@H](C)[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000353605894 534359545 /nfs/dbraw/zinc/35/95/45/534359545.db2.gz CKPLJIIHUKGBHQ-SRVKXCTJSA-N 2 2 233.359 2.457 20 30 BEEDLP C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000353605892 534360092 /nfs/dbraw/zinc/36/00/92/534360092.db2.gz CKPLJIIHUKGBHQ-SDDRHHMPSA-N 2 2 233.359 2.457 20 30 BEEDLP C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000353605892 534360100 /nfs/dbraw/zinc/36/01/00/534360100.db2.gz CKPLJIIHUKGBHQ-SDDRHHMPSA-N 2 2 233.359 2.457 20 30 BEEDLP C[N@@H+]1CCC[C@@H]1C[NH2+]C1CCC(C)(C#N)CC1 ZINC000336217403 536375254 /nfs/dbraw/zinc/37/52/54/536375254.db2.gz FSWLUWHSPJHOEG-ROKHWSDSSA-N 2 2 235.375 2.143 20 30 BEEDLP C[N@H+]1CCC[C@@H]1C[NH2+]C1CCC(C)(C#N)CC1 ZINC000336217403 536375257 /nfs/dbraw/zinc/37/52/57/536375257.db2.gz FSWLUWHSPJHOEG-ROKHWSDSSA-N 2 2 235.375 2.143 20 30 BEEDLP C=CC[N@H+](Cc1cccs1)CC(C)(C)[NH3+] ZINC000261571800 534841049 /nfs/dbraw/zinc/84/10/49/534841049.db2.gz HWHXGYLILKXNNF-UHFFFAOYSA-N 2 2 224.373 2.473 20 30 BEEDLP C=CC[N@@H+](Cc1cccs1)CC(C)(C)[NH3+] ZINC000261571800 534841054 /nfs/dbraw/zinc/84/10/54/534841054.db2.gz HWHXGYLILKXNNF-UHFFFAOYSA-N 2 2 224.373 2.473 20 30 BEEDLP CCCCO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000267847131 535296322 /nfs/dbraw/zinc/29/63/22/535296322.db2.gz AIRIBUUSPWZTMK-UHFFFAOYSA-N 2 2 249.358 2.185 20 30 BEEDLP C=C(Cl)C[NH2+][C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000222095047 583187033 /nfs/dbraw/zinc/18/70/33/583187033.db2.gz UHBYNHQEJBBFJR-ONGXEEELSA-N 2 2 216.756 2.059 20 30 BEEDLP C=C(Cl)C[NH2+][C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000222095047 583187035 /nfs/dbraw/zinc/18/70/35/583187035.db2.gz UHBYNHQEJBBFJR-ONGXEEELSA-N 2 2 216.756 2.059 20 30 BEEDLP C#C[C@@H]([NH2+]Cc1c(C)cc[nH+]c1N)C(C)(C)C ZINC000894783752 583521540 /nfs/dbraw/zinc/52/15/40/583521540.db2.gz AASQCGFDEXGNAT-GFCCVEGCSA-N 2 2 231.343 2.110 20 30 BEEDLP C#CCCCCCC[NH2+]C[C@@H]1CC[N@H+]1CC ZINC000895672179 583706914 /nfs/dbraw/zinc/70/69/14/583706914.db2.gz QZSAPGCSZQPVDQ-AWEZNQCLSA-N 2 2 222.376 2.254 20 30 BEEDLP C#CCCCCCC[NH2+]C[C@@H]1CC[N@@H+]1CC ZINC000895672179 583706916 /nfs/dbraw/zinc/70/69/16/583706916.db2.gz QZSAPGCSZQPVDQ-AWEZNQCLSA-N 2 2 222.376 2.254 20 30 BEEDLP C[C@@H](CCC#N)C[NH2+]Cc1cc(N(C)C)cc[nH+]1 ZINC000896297443 583789401 /nfs/dbraw/zinc/78/94/01/583789401.db2.gz AZYYSSQSDSLCQD-LBPRGKRZSA-N 2 2 246.358 2.177 20 30 BEEDLP C#CCCCCCC[NH2+][C@H]1CC[N@H+](C)[C@H]1C ZINC000896556155 583811659 /nfs/dbraw/zinc/81/16/59/583811659.db2.gz SQIDIRZFSCZWIC-KBPBESRZSA-N 2 2 222.376 2.252 20 30 BEEDLP C#CCCCCCC[NH2+][C@H]1CC[N@@H+](C)[C@H]1C ZINC000896556155 583811660 /nfs/dbraw/zinc/81/16/60/583811660.db2.gz SQIDIRZFSCZWIC-KBPBESRZSA-N 2 2 222.376 2.252 20 30 BEEDLP C#CCCCCCC[NH2+][C@@H]1CC[N@H+](C)[C@@H]1C ZINC000896556158 583812223 /nfs/dbraw/zinc/81/22/23/583812223.db2.gz SQIDIRZFSCZWIC-ZIAGYGMSSA-N 2 2 222.376 2.252 20 30 BEEDLP C#CCCCCCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000896556158 583812224 /nfs/dbraw/zinc/81/22/24/583812224.db2.gz SQIDIRZFSCZWIC-ZIAGYGMSSA-N 2 2 222.376 2.252 20 30 BEEDLP CC#CC[N@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000897167870 583887344 /nfs/dbraw/zinc/88/73/44/583887344.db2.gz VDRIBBHSLHQITJ-UHFFFAOYSA-N 2 2 245.351 2.389 20 30 BEEDLP CC#CC[N@@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000897167870 583887346 /nfs/dbraw/zinc/88/73/46/583887346.db2.gz VDRIBBHSLHQITJ-UHFFFAOYSA-N 2 2 245.351 2.389 20 30 BEEDLP C[NH+](C)CC(C)(C)C[N@H+](C)Cc1ccc(C#N)o1 ZINC000898307692 584109493 /nfs/dbraw/zinc/10/94/93/584109493.db2.gz FLGAYKACHDLREA-UHFFFAOYSA-N 2 2 249.358 2.171 20 30 BEEDLP C[NH+](C)CC(C)(C)C[N@@H+](C)Cc1ccc(C#N)o1 ZINC000898307692 584109494 /nfs/dbraw/zinc/10/94/94/584109494.db2.gz FLGAYKACHDLREA-UHFFFAOYSA-N 2 2 249.358 2.171 20 30 BEEDLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000898314332 584110852 /nfs/dbraw/zinc/11/08/52/584110852.db2.gz USTMJSLOLCKAIC-MJBXVCDLSA-N 2 2 237.391 2.245 20 30 BEEDLP C=CCC[C@@H]([NH2+]CC1([NH3+])CC1)c1ccco1 ZINC000902406467 584573722 /nfs/dbraw/zinc/57/37/22/584573722.db2.gz MKWJGSXEVHETAO-LLVKDONJSA-N 2 2 220.316 2.368 20 30 BEEDLP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1cccc(C#N)c1 ZINC000902478955 584603681 /nfs/dbraw/zinc/60/36/81/584603681.db2.gz ZCWIACNBOAGVHT-QPKOPYBWSA-N 2 2 241.338 2.102 20 30 BEEDLP C=CCC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC000903301859 584744382 /nfs/dbraw/zinc/74/43/82/584744382.db2.gz WERSUMCREACETB-XBFCOCLRSA-N 2 2 222.376 2.413 20 30 BEEDLP C=CCC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC000903301859 584744383 /nfs/dbraw/zinc/74/43/83/584744383.db2.gz WERSUMCREACETB-XBFCOCLRSA-N 2 2 222.376 2.413 20 30 BEEDLP C[C@@H]1[C@@H]([NH2+]C2CCC(C)(C#N)CC2)CC[N@@H+]1C ZINC000903301802 584744419 /nfs/dbraw/zinc/74/44/19/584744419.db2.gz UJTYIDFMSIFACN-ZIHBUVQPSA-N 2 2 235.375 2.141 20 30 BEEDLP C[C@@H]1[C@@H]([NH2+]C2CCC(C)(C#N)CC2)CC[N@H+]1C ZINC000903301802 584744420 /nfs/dbraw/zinc/74/44/20/584744420.db2.gz UJTYIDFMSIFACN-ZIHBUVQPSA-N 2 2 235.375 2.141 20 30 BEEDLP CC1(C)CC[NH2+]CC[N@@H+]1CC1CCC(C#N)CC1 ZINC000903476147 584777315 /nfs/dbraw/zinc/77/73/15/584777315.db2.gz OLXIKQLUVGSRMJ-UHFFFAOYSA-N 2 2 249.402 2.390 20 30 BEEDLP CC1(C)CC[NH2+]CC[N@H+]1CC1CCC(C#N)CC1 ZINC000903476147 584777317 /nfs/dbraw/zinc/77/73/17/584777317.db2.gz OLXIKQLUVGSRMJ-UHFFFAOYSA-N 2 2 249.402 2.390 20 30 BEEDLP C=CCCC[N@H+]1CCC[C@H]2CC[C@@]21C[NH3+] ZINC000903800110 584801264 /nfs/dbraw/zinc/80/12/64/584801264.db2.gz UJCXPYFWUOEZOJ-QWHCGFSZSA-N 2 2 208.349 2.156 20 30 BEEDLP C=CCCC[N@@H+]1CCC[C@H]2CC[C@@]21C[NH3+] ZINC000903800110 584801266 /nfs/dbraw/zinc/80/12/66/584801266.db2.gz UJCXPYFWUOEZOJ-QWHCGFSZSA-N 2 2 208.349 2.156 20 30 BEEDLP C=C[C@H]1CCCC[N@H+]1C[C@@H]([NH3+])CC(F)F ZINC000903914746 584819235 /nfs/dbraw/zinc/81/92/35/584819235.db2.gz VUADETKZIDTJCT-UWVGGRQHSA-N 2 2 218.291 2.009 20 30 BEEDLP C=C[C@H]1CCCC[N@@H+]1C[C@@H]([NH3+])CC(F)F ZINC000903914746 584819236 /nfs/dbraw/zinc/81/92/36/584819236.db2.gz VUADETKZIDTJCT-UWVGGRQHSA-N 2 2 218.291 2.009 20 30 BEEDLP C=CC[NH+]1CCC([NH2+]C2CC(C(F)F)C2)CC1 ZINC000768675956 585541543 /nfs/dbraw/zinc/54/15/43/585541543.db2.gz YKSRTCALDZIRJW-UHFFFAOYSA-N 2 2 244.329 2.270 20 30 BEEDLP C#CC[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C)c1ccccc1 ZINC000773108394 585631403 /nfs/dbraw/zinc/63/14/03/585631403.db2.gz XQBBIIJGFULZTK-CWRNSKLLSA-N 2 2 242.366 2.291 20 30 BEEDLP C#CC[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@@H]1C)c1ccccc1 ZINC000773108394 585631404 /nfs/dbraw/zinc/63/14/04/585631404.db2.gz XQBBIIJGFULZTK-CWRNSKLLSA-N 2 2 242.366 2.291 20 30 BEEDLP CC(=[NH+]Nc1cc[nH+]cc1)c1ccc(N)cc1C ZINC000779811718 585766439 /nfs/dbraw/zinc/76/64/39/585766439.db2.gz ROBTXMKJJCDFEL-UHFFFAOYSA-N 2 2 240.310 2.230 20 30 BEEDLP C=C(Cl)C[NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000817903580 586835743 /nfs/dbraw/zinc/83/57/43/586835743.db2.gz FWFVEAOWHMVDDS-AAEUAGOBSA-N 2 2 238.762 2.287 20 30 BEEDLP C=C[C@@H](C)O[NH+]=Cc1c[nH+]ccc1N(C)C ZINC000844622343 588209791 /nfs/dbraw/zinc/20/97/91/588209791.db2.gz YCTAAVNTRIKIRR-SNVBAGLBSA-N 2 2 219.288 2.073 20 30 BEEDLP C[C@H](CC/[NH+]=C\c1ccccc1O)[NH+](C)C ZINC000849170499 588459527 /nfs/dbraw/zinc/45/95/27/588459527.db2.gz QEYBKKBYSKMQLH-UXEDPAHQSA-N 2 2 220.316 2.151 20 30 BEEDLP C#CCCCCCC[NH2+]CC(C)(C)[NH+](C)C ZINC000876888904 590254283 /nfs/dbraw/zinc/25/42/83/590254283.db2.gz IPWYQALGLCIDCM-UHFFFAOYSA-N 2 2 224.392 2.500 20 30 BEEDLP C=CC[NH+]1CCC(CC)([NH+]2CCC2)CC1 ZINC000886707326 592309494 /nfs/dbraw/zinc/30/94/94/592309494.db2.gz DUNBIVDLIZEIFI-UHFFFAOYSA-N 2 2 208.349 2.123 20 30 BEEDLP C=C(Cl)C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925570070 634067618 /nfs/dbraw/zinc/06/76/18/634067618.db2.gz UUVQRQIRXYDIMS-VWYCJHECSA-N 2 2 228.767 2.105 20 30 BEEDLP C=C(C)COCC[NH2+][C@@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925617224 634167136 /nfs/dbraw/zinc/16/71/36/634167136.db2.gz BVLPXNPYUBDJHM-DZGCQCFKSA-N 2 2 248.370 2.257 20 30 BEEDLP Cc1ccc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)cc1C#N ZINC000925843067 635507772 /nfs/dbraw/zinc/50/77/72/635507772.db2.gz YXNCHJOQXXFKAG-DOMZBBRYSA-N 2 2 243.354 2.097 20 30 BEEDLP C[C@@H](CC(C)(C)C#N)[NH2+]CC[N@@H+]1CCC[C@@H]1C ZINC000925174561 636353358 /nfs/dbraw/zinc/35/33/58/636353358.db2.gz AYEIYXTVOMMMNU-STQMWFEESA-N 2 2 237.391 2.389 20 30 BEEDLP C[C@@H](CC(C)(C)C#N)[NH2+]CC[N@H+]1CCC[C@@H]1C ZINC000925174561 636353364 /nfs/dbraw/zinc/35/33/64/636353364.db2.gz AYEIYXTVOMMMNU-STQMWFEESA-N 2 2 237.391 2.389 20 30 BEEDLP CC[N@@H+]1CCC[C@H]([NH2+][C@@H](C)CC(C)(C)C#N)C1 ZINC000924746999 637070782 /nfs/dbraw/zinc/07/07/82/637070782.db2.gz HTNPNIGORMNSQT-STQMWFEESA-N 2 2 237.391 2.389 20 30 BEEDLP CC[N@H+]1CCC[C@H]([NH2+][C@@H](C)CC(C)(C)C#N)C1 ZINC000924746999 637070789 /nfs/dbraw/zinc/07/07/89/637070789.db2.gz HTNPNIGORMNSQT-STQMWFEESA-N 2 2 237.391 2.389 20 30 BEEDLP C=C(CC)C[NH+]1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000931721791 640341619 /nfs/dbraw/zinc/34/16/19/640341619.db2.gz VPZGSQLAEVWKED-OLZOCXBDSA-N 2 2 208.349 2.121 20 30 BEEDLP C=C(CC)C[NH+]1[C@@H]2CC[C@H]1C[N@@H+](C)CC2 ZINC000931721791 640341620 /nfs/dbraw/zinc/34/16/20/640341620.db2.gz VPZGSQLAEVWKED-OLZOCXBDSA-N 2 2 208.349 2.121 20 30 BEEDLP C#CC[N@@H+](CCCn1cc[nH+]c1)C(C)(C)C ZINC000932464178 640537232 /nfs/dbraw/zinc/53/72/32/640537232.db2.gz UKZKKJKQHFGGOP-UHFFFAOYSA-N 2 2 219.332 2.007 20 30 BEEDLP C#CC[N@H+](CCCn1cc[nH+]c1)C(C)(C)C ZINC000932464178 640537236 /nfs/dbraw/zinc/53/72/36/640537236.db2.gz UKZKKJKQHFGGOP-UHFFFAOYSA-N 2 2 219.332 2.007 20 30 BEEDLP CC[NH+]1CCC([NH2+]Cc2csc(C#N)c2)CC1 ZINC000921492171 642629158 /nfs/dbraw/zinc/62/91/58/642629158.db2.gz GFDOMZGVXMWAES-UHFFFAOYSA-N 2 2 249.383 2.194 20 30 BEEDLP C=C(Cl)C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000852749328 645487383 /nfs/dbraw/zinc/48/73/83/645487383.db2.gz KOKHFCOKECRXMR-RYUDHWBXSA-N 2 2 228.767 2.203 20 30 BEEDLP C=C(Cl)C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000852749328 645487387 /nfs/dbraw/zinc/48/73/87/645487387.db2.gz KOKHFCOKECRXMR-RYUDHWBXSA-N 2 2 228.767 2.203 20 30 BEEDLP C[C@@H](CC(C)(C)C#N)[NH2+]CCCn1cc[nH+]c1 ZINC000924534592 646053101 /nfs/dbraw/zinc/05/31/01/646053101.db2.gz RAIVYIMWKURDLT-LBPRGKRZSA-N 2 2 234.347 2.191 20 30 BEEDLP N#CCCCC[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000924943390 646137489 /nfs/dbraw/zinc/13/74/89/646137489.db2.gz USINAUMZTLCPDQ-KBPBESRZSA-N 2 2 235.375 2.287 20 30 BEEDLP N#CCCCC[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000924943390 646137494 /nfs/dbraw/zinc/13/74/94/646137494.db2.gz USINAUMZTLCPDQ-KBPBESRZSA-N 2 2 235.375 2.287 20 30 BEEDLP C=CCCOCC[NH2+][C@@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925625177 646372659 /nfs/dbraw/zinc/37/26/59/646372659.db2.gz GKCXMMCYLRBGPI-UKRRQHHQSA-N 2 2 248.370 2.257 20 30 BEEDLP CC[N@H+]1C[C@H]([NH2+][C@H](C)CC(C)(C)C#N)[C@@H](C)C1 ZINC000925929213 646544467 /nfs/dbraw/zinc/54/44/67/646544467.db2.gz KPLYUFQQIKFXGF-XQQFMLRXSA-N 2 2 237.391 2.245 20 30 BEEDLP CC[N@@H+]1C[C@H]([NH2+][C@H](C)CC(C)(C)C#N)[C@@H](C)C1 ZINC000925929213 646544469 /nfs/dbraw/zinc/54/44/69/646544469.db2.gz KPLYUFQQIKFXGF-XQQFMLRXSA-N 2 2 237.391 2.245 20 30 BEEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CC[C@H]2C)CC1 ZINC000380253019 712846314 /nfs/dbraw/zinc/84/63/14/712846314.db2.gz PQTJWYRBRDFSMH-DGCLKSJQSA-N 2 2 208.349 2.025 20 30 BEEDLP C[N@@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CCCC(C)(C)C#N ZINC000720361729 712835277 /nfs/dbraw/zinc/83/52/77/712835277.db2.gz COIYPLSZTQXWSU-ZIAGYGMSSA-N 2 2 249.402 2.485 20 30 BEEDLP C[N@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CCCC(C)(C)C#N ZINC000720361729 712835278 /nfs/dbraw/zinc/83/52/78/712835278.db2.gz COIYPLSZTQXWSU-ZIAGYGMSSA-N 2 2 249.402 2.485 20 30 BEEDLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@@H+]2CCCC(C)(C)C#N ZINC000720361729 712835280 /nfs/dbraw/zinc/83/52/80/712835280.db2.gz COIYPLSZTQXWSU-ZIAGYGMSSA-N 2 2 249.402 2.485 20 30 BEEDLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@H+]2CCCC(C)(C)C#N ZINC000720361729 712835281 /nfs/dbraw/zinc/83/52/81/712835281.db2.gz COIYPLSZTQXWSU-ZIAGYGMSSA-N 2 2 249.402 2.485 20 30 BEEDLP C=CC[NH2+]CC[N@@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC000250518493 1166405003 /nfs/dbraw/zinc/40/50/03/1166405003.db2.gz JCFANXZJSIJZJX-KGLIPLIRSA-N 2 2 222.376 2.274 20 30 BEEDLP C=CC[NH2+]CC[N@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC000250518493 1166405008 /nfs/dbraw/zinc/40/50/08/1166405008.db2.gz JCFANXZJSIJZJX-KGLIPLIRSA-N 2 2 222.376 2.274 20 30 BEEDLP CC[N@H+](C)C1CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC001254677418 969785256 /nfs/dbraw/zinc/78/52/56/969785256.db2.gz SXYGMPPJCQHGTC-GXTWGEPZSA-N 2 2 235.375 2.095 20 30 BEEDLP CC[N@@H+](C)C1CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC001254677418 969785260 /nfs/dbraw/zinc/78/52/60/969785260.db2.gz SXYGMPPJCQHGTC-GXTWGEPZSA-N 2 2 235.375 2.095 20 30 BEEDLP CC(C=CC[NH3+])=[NH+]C1=CC(=O)CC(C)(C)C1 ZINC001169951288 969888807 /nfs/dbraw/zinc/88/88/07/969888807.db2.gz BZFFEWNXWVOSTB-GQYICFGZSA-N 2 2 220.316 2.225 20 30 BEEDLP C[C@H](C[NH+]1CCCC1)[NH2+]C1CCC(C#N)CC1 ZINC001256953654 971031356 /nfs/dbraw/zinc/03/13/56/971031356.db2.gz LEPVBONLKZNNBR-IYXRBSQSSA-N 2 2 235.375 2.143 20 30 BEEDLP N#CC1CCC([NH2+]CCOc2cc[nH+]cc2)CC1 ZINC001256964272 971035634 /nfs/dbraw/zinc/03/56/34/971035634.db2.gz YQSISPYHNVVRPN-UHFFFAOYSA-N 2 2 245.326 2.132 20 30 BEEDLP C[N@@H+]1CCC[C@@H]2C[NH+](C3CCC(C#N)CC3)C[C@H]21 ZINC001256971650 971048388 /nfs/dbraw/zinc/04/83/88/971048388.db2.gz KZYPBOYSTUOYBV-HXSCFSKGSA-N 2 2 247.386 2.095 20 30 BEEDLP C[N@H+]1CCC[C@@H]2C[NH+](C3CCC(C#N)CC3)C[C@H]21 ZINC001256971650 971048401 /nfs/dbraw/zinc/04/84/01/971048401.db2.gz KZYPBOYSTUOYBV-HXSCFSKGSA-N 2 2 247.386 2.095 20 30 BEEDLP C[NH+]1CCC[C@@H]2C[N@@H+](C3CCC(C#N)CC3)C[C@H]21 ZINC001256971650 971048405 /nfs/dbraw/zinc/04/84/05/971048405.db2.gz KZYPBOYSTUOYBV-HXSCFSKGSA-N 2 2 247.386 2.095 20 30 BEEDLP C[NH+]1CCC[C@@H]2C[N@H+](C3CCC(C#N)CC3)C[C@H]21 ZINC001256971650 971048419 /nfs/dbraw/zinc/04/84/19/971048419.db2.gz KZYPBOYSTUOYBV-HXSCFSKGSA-N 2 2 247.386 2.095 20 30 BEEDLP CC(C)[NH+]1CCC([NH+]2CCC(C#N)CC2)CC1 ZINC001257212944 971130441 /nfs/dbraw/zinc/13/04/41/971130441.db2.gz FFEKHOGOEUBIBE-UHFFFAOYSA-N 2 2 235.375 2.095 20 30 BEEDLP C=CCCC[NH+]1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000880130052 963048513 /nfs/dbraw/zinc/04/85/13/963048513.db2.gz BUFXIZXEVSIRRA-STQMWFEESA-N 2 2 208.349 2.121 20 30 BEEDLP C=CCCC[NH+]1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000880130052 963048528 /nfs/dbraw/zinc/04/85/28/963048528.db2.gz BUFXIZXEVSIRRA-STQMWFEESA-N 2 2 208.349 2.121 20 30 BEEDLP C=CCCC[N@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC000880130052 963048542 /nfs/dbraw/zinc/04/85/42/963048542.db2.gz BUFXIZXEVSIRRA-STQMWFEESA-N 2 2 208.349 2.121 20 30 BEEDLP C=CCCC[N@@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC000880130052 963048555 /nfs/dbraw/zinc/04/85/55/963048555.db2.gz BUFXIZXEVSIRRA-STQMWFEESA-N 2 2 208.349 2.121 20 30 BEEDLP C[C@H](CC[NH2+]Cc1ccc(C#N)cc1F)[NH+](C)C ZINC000697906725 964673937 /nfs/dbraw/zinc/67/39/37/964673937.db2.gz ZXFKVNGGRIJQKX-LLVKDONJSA-N 2 2 249.333 2.127 20 30 BEEDLP C#Cc1cccc(C[N@@H+]2C[C@@H](C)CC[C@H]2C[NH3+])c1 ZINC001205828772 967843294 /nfs/dbraw/zinc/84/32/94/967843294.db2.gz MYUDZGPUAUUYBS-BBRMVZONSA-N 2 2 242.366 2.227 20 30 BEEDLP C#Cc1cccc(C[N@H+]2C[C@@H](C)CC[C@H]2C[NH3+])c1 ZINC001205828772 967843299 /nfs/dbraw/zinc/84/32/99/967843299.db2.gz MYUDZGPUAUUYBS-BBRMVZONSA-N 2 2 242.366 2.227 20 30 BEEDLP C=CCOc1cccc(C[NH+]2CC(C)(C[NH3+])C2)c1 ZINC001206730767 968447809 /nfs/dbraw/zinc/44/78/09/968447809.db2.gz YVXWPGZMCQRWND-UHFFFAOYSA-N 2 2 246.354 2.032 20 30 BEEDLP C=CCCCC[NH+]1C[C@H]2CCC[N@@H+](C)[C@H]2C1 ZINC001209207022 969391960 /nfs/dbraw/zinc/39/19/60/969391960.db2.gz ICLLASAOXYVFBT-KGLIPLIRSA-N 2 2 222.376 2.369 20 30 BEEDLP C=CCCCC[NH+]1C[C@H]2CCC[N@H+](C)[C@H]2C1 ZINC001209207022 969391966 /nfs/dbraw/zinc/39/19/66/969391966.db2.gz ICLLASAOXYVFBT-KGLIPLIRSA-N 2 2 222.376 2.369 20 30 BEEDLP C=CCCCC[N@H+]1C[C@H]2CCC[NH+](C)[C@H]2C1 ZINC001209207022 969391971 /nfs/dbraw/zinc/39/19/71/969391971.db2.gz ICLLASAOXYVFBT-KGLIPLIRSA-N 2 2 222.376 2.369 20 30 BEEDLP C=CCCCC[N@@H+]1C[C@H]2CCC[NH+](C)[C@H]2C1 ZINC001209207022 969391979 /nfs/dbraw/zinc/39/19/79/969391979.db2.gz ICLLASAOXYVFBT-KGLIPLIRSA-N 2 2 222.376 2.369 20 30 BEEDLP N#C[C@@H]1CC[C@@H](n2cc[nH+]c2[C@H]2CCC[NH2+]C2)C1 ZINC001254671775 969777876 /nfs/dbraw/zinc/77/78/76/969777876.db2.gz UFBRAWYWQDZAQS-FRRDWIJNSA-N 2 2 244.342 2.215 20 30 BEEDLP N#C[C@@H]1CC[C@H](n2cc[nH+]c2[C@H]2CCC[NH2+]C2)C1 ZINC001254671765 969778211 /nfs/dbraw/zinc/77/82/11/969778211.db2.gz UFBRAWYWQDZAQS-AGIUHOORSA-N 2 2 244.342 2.215 20 30 BEEDLP CC#CCC[NH+]1CCC([NH+](CC)CC)CC1 ZINC001254918558 969820306 /nfs/dbraw/zinc/82/03/06/969820306.db2.gz GGIITIBPHJCVJR-UHFFFAOYSA-N 2 2 222.376 2.206 20 30 BEEDLP CC[C@@H](CC#N)[NH2+]CCC[NH+]1CCC(C)CC1 ZINC001255152637 969956932 /nfs/dbraw/zinc/95/69/32/969956932.db2.gz ZNHHKFQSBZWCKZ-AWEZNQCLSA-N 2 2 237.391 2.390 20 30 BEEDLP CC(C)(C)C#CC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC001256071372 970637475 /nfs/dbraw/zinc/63/74/75/970637475.db2.gz TZGMQVDLNKTSSU-UHFFFAOYSA-N 2 2 234.387 2.252 20 30 BEEDLP C[C@H](CCCC#N)[N@@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001246584643 972959816 /nfs/dbraw/zinc/95/98/16/972959816.db2.gz XWIWJDYDCJAWKK-OLZOCXBDSA-N 2 2 241.354 2.222 20 30 BEEDLP C[C@H](CCCC#N)[N@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001246584643 972959828 /nfs/dbraw/zinc/95/98/28/972959828.db2.gz XWIWJDYDCJAWKK-OLZOCXBDSA-N 2 2 241.354 2.222 20 30 BEEDLP C[NH+](C)[C@H]1C[C@@H](C/[NH+]=C/c2ccccc2O)C1 ZINC000846756235 973041790 /nfs/dbraw/zinc/04/17/90/973041790.db2.gz IEJFJBUVIUTKFB-BTICUIILSA-N 2 2 232.327 2.151 20 30 BEEDLP C[C@H](CCCC#N)[NH2+]C[C@H]1CCCC[N@@H+]1C ZINC001172480250 974779692 /nfs/dbraw/zinc/77/96/92/974779692.db2.gz NDJLKODMZDETQW-CHWSQXEVSA-N 2 2 223.364 2.143 20 30 BEEDLP C[C@H](CCCC#N)[NH2+]C[C@H]1CCCC[N@H+]1C ZINC001172480250 974779699 /nfs/dbraw/zinc/77/96/99/974779699.db2.gz NDJLKODMZDETQW-CHWSQXEVSA-N 2 2 223.364 2.143 20 30 BEEDLP C[C@@H](CCCC#N)[NH2+][C@@]1(C)CCC[N@H+](C)C1 ZINC001172493914 974842984 /nfs/dbraw/zinc/84/29/84/974842984.db2.gz WNZGOOKCEGUEPP-STQMWFEESA-N 2 2 223.364 2.143 20 30 BEEDLP C[C@@H](CCCC#N)[NH2+][C@@]1(C)CCC[N@@H+](C)C1 ZINC001172493914 974842988 /nfs/dbraw/zinc/84/29/88/974842988.db2.gz WNZGOOKCEGUEPP-STQMWFEESA-N 2 2 223.364 2.143 20 30 BEEDLP CC[NH+](CC)CC[NH2+]C1CCC(CC#N)CC1 ZINC001173324979 975274828 /nfs/dbraw/zinc/27/48/28/975274828.db2.gz YQPJBZDRNYOETP-UHFFFAOYSA-N 2 2 237.391 2.390 20 30 BEEDLP Cc1cc[nH+]c(C)c1O[C@H](CC#N)C[N+](C)(C)C ZINC001227263279 975337784 /nfs/dbraw/zinc/33/77/84/975337784.db2.gz CQGOBVVJNHIWIW-CYBMUJFWSA-N 2 2 248.350 2.066 20 30 BEEDLP C[NH+]1CCC(C[N@H+](CC#N)C2CCCC2)CC1 ZINC000691575113 977224864 /nfs/dbraw/zinc/22/48/64/977224864.db2.gz BPRSSEXMMLNQGF-UHFFFAOYSA-N 2 2 235.375 2.096 20 30 BEEDLP C[NH+]1CCC(C[N@@H+](CC#N)C2CCCC2)CC1 ZINC000691575113 977224878 /nfs/dbraw/zinc/22/48/78/977224878.db2.gz BPRSSEXMMLNQGF-UHFFFAOYSA-N 2 2 235.375 2.096 20 30 BEEDLP C#CC[NH+]1CCC(Nc2cc(F)cc(C)[nH+]2)CC1 ZINC001337992483 978579333 /nfs/dbraw/zinc/57/93/33/978579333.db2.gz NVYYBYHWGSDTOZ-UHFFFAOYSA-N 2 2 247.317 2.039 20 30 BEEDLP C#Cc1cccc(C[N@@H+](CC)[C@H]2CCC[NH2+]C2)c1 ZINC001236008590 979296896 /nfs/dbraw/zinc/29/68/96/979296896.db2.gz UOSRPCUSBBCNCL-INIZCTEOSA-N 2 2 242.366 2.242 20 30 BEEDLP C#Cc1cccc(C[N@H+](CC)[C@H]2CCC[NH2+]C2)c1 ZINC001236008590 979296909 /nfs/dbraw/zinc/29/69/09/979296909.db2.gz UOSRPCUSBBCNCL-INIZCTEOSA-N 2 2 242.366 2.242 20 30 BEEDLP C[N@H+](C1CC1)C1CC[NH+]([C@H]2CC[C@H](C#N)C2)CC1 ZINC001254672476 986720575 /nfs/dbraw/zinc/72/05/75/986720575.db2.gz BOVGDUGOMLFLAP-WFASDCNBSA-N 2 2 247.386 2.237 20 30 BEEDLP C[N@@H+](C1CC1)C1CC[NH+]([C@H]2CC[C@H](C#N)C2)CC1 ZINC001254672476 986720584 /nfs/dbraw/zinc/72/05/84/986720584.db2.gz BOVGDUGOMLFLAP-WFASDCNBSA-N 2 2 247.386 2.237 20 30 BEEDLP CC[C@H](CC#N)n1cc[nH+]c1[C@@H]1CCC[NH2+]C1 ZINC001255173738 986867118 /nfs/dbraw/zinc/86/71/18/986867118.db2.gz DELXQPVSHYPKMZ-VXGBXAGGSA-N 2 2 232.331 2.215 20 30 BEEDLP C[C@H](C[NH2+][C@H]1CC[C@H](C#N)C1)[NH+]1CCCCC1 ZINC000799714844 987396091 /nfs/dbraw/zinc/39/60/91/987396091.db2.gz GXLNTQCGWVWLAY-RDBSUJKOSA-N 2 2 235.375 2.143 20 30 BEEDLP CCCCCCC[C@H](C)[N@H+]1C[C@@H](OC)[C@@H]([NH3+])C1 ZINC001246983463 988816073 /nfs/dbraw/zinc/81/60/73/988816073.db2.gz PWORUMNBMTXLES-MELADBBJSA-N 2 2 242.407 2.393 20 30 BEEDLP CCCCCCC[C@H](C)[N@@H+]1C[C@@H](OC)[C@@H]([NH3+])C1 ZINC001246983463 988816075 /nfs/dbraw/zinc/81/60/75/988816075.db2.gz PWORUMNBMTXLES-MELADBBJSA-N 2 2 242.407 2.393 20 30 BEEDLP C=CCC[C@@H](C)[N@@H+]1CCn2c(C)[nH+]cc2C1 ZINC001258729657 991670786 /nfs/dbraw/zinc/67/07/86/991670786.db2.gz WRTXBTAHFZRWFE-LLVKDONJSA-N 2 2 219.332 2.362 20 30 BEEDLP C=CCC[C@@H](C)[N@H+]1CCn2c(C)[nH+]cc2C1 ZINC001258729657 991670791 /nfs/dbraw/zinc/67/07/91/991670791.db2.gz WRTXBTAHFZRWFE-LLVKDONJSA-N 2 2 219.332 2.362 20 30 BEEDLP C#Cc1cccc(C[NH2+][C@H]2CC[NH2+]C23CCC3)c1 ZINC001574766038 992898535 /nfs/dbraw/zinc/89/85/35/992898535.db2.gz LZKCSJKSOUQHQN-HNNXBMFYSA-N 2 2 240.350 2.042 20 30 BEEDLP CCC(CC)(C[NH3+])C[N@H+](C)CC(C)(C)C#N ZINC001577051259 993490066 /nfs/dbraw/zinc/49/00/66/993490066.db2.gz PDDJGIDUXOAWCO-UHFFFAOYSA-N 2 2 225.380 2.233 20 30 BEEDLP CCC(CC)(C[NH3+])C[N@@H+](C)CC(C)(C)C#N ZINC001577051259 993490071 /nfs/dbraw/zinc/49/00/71/993490071.db2.gz PDDJGIDUXOAWCO-UHFFFAOYSA-N 2 2 225.380 2.233 20 30 BEEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCC2(C)C)CC1 ZINC000336744559 136219606 /nfs/dbraw/zinc/21/96/06/136219606.db2.gz QFEQDRBNSJTRIB-CYBMUJFWSA-N 2 2 222.376 2.415 20 30 BEEDLP C[C@@H](CCC#N)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000602458928 349554885 /nfs/dbraw/zinc/55/48/85/349554885.db2.gz QYVNNSDWRPELSZ-UONOGXRCSA-N 2 2 246.358 2.460 20 30 BEEDLP C[C@@H](CCC#N)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000602458928 349554889 /nfs/dbraw/zinc/55/48/89/349554889.db2.gz QYVNNSDWRPELSZ-UONOGXRCSA-N 2 2 246.358 2.460 20 30 BEEDLP CC[N@@H+]1CCC[C@H]1C[NH2+]C[C@H](C)CCC#N ZINC000602506563 349582818 /nfs/dbraw/zinc/58/28/18/349582818.db2.gz DIUQECGNYHKALQ-OLZOCXBDSA-N 2 2 223.364 2.000 20 30 BEEDLP CC[N@H+]1CCC[C@H]1C[NH2+]C[C@H](C)CCC#N ZINC000602506563 349582820 /nfs/dbraw/zinc/58/28/20/349582820.db2.gz DIUQECGNYHKALQ-OLZOCXBDSA-N 2 2 223.364 2.000 20 30 BEEDLP C[C@H](CCC#N)C[NH2+]CCCCn1cc[nH+]c1 ZINC000602519264 349573887 /nfs/dbraw/zinc/57/38/87/349573887.db2.gz WOQQXUJENYMXQH-CYBMUJFWSA-N 2 2 234.347 2.193 20 30 BEEDLP C[C@@H](CCC#N)C[NH2+]CCCCn1cc[nH+]c1 ZINC000602519265 349574205 /nfs/dbraw/zinc/57/42/05/349574205.db2.gz WOQQXUJENYMXQH-ZDUSSCGKSA-N 2 2 234.347 2.193 20 30 BEEDLP CC[C@@H](CC#N)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000600153292 342691841 /nfs/dbraw/zinc/69/18/41/342691841.db2.gz YBZZLYJSPXFPJS-NWDGAFQWSA-N 2 2 223.364 2.141 20 30 BEEDLP CC[C@@H](CC#N)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000600153292 342691842 /nfs/dbraw/zinc/69/18/42/342691842.db2.gz YBZZLYJSPXFPJS-NWDGAFQWSA-N 2 2 223.364 2.141 20 30 BEEDLP C[C@H](CCC#N)C[NH2+]CC1([NH+](C)C)CCC1 ZINC000602626844 349664227 /nfs/dbraw/zinc/66/42/27/349664227.db2.gz AAJYYQKELYYXMA-GFCCVEGCSA-N 2 2 223.364 2.000 20 30 BEEDLP CCC[N@@H+]1CC[C@@H]([NH2+]C[C@@H](C)CCC#N)C1 ZINC000602712139 349704727 /nfs/dbraw/zinc/70/47/27/349704727.db2.gz AGAPAOAVSGNHER-QWHCGFSZSA-N 2 2 223.364 2.000 20 30 BEEDLP CCC[N@H+]1CC[C@@H]([NH2+]C[C@@H](C)CCC#N)C1 ZINC000602712139 349704728 /nfs/dbraw/zinc/70/47/28/349704728.db2.gz AGAPAOAVSGNHER-QWHCGFSZSA-N 2 2 223.364 2.000 20 30 BEEDLP CCC[N@@H+]1CC[C@@H]([NH2+]C[C@H](C)CCC#N)C1 ZINC000602712137 349704588 /nfs/dbraw/zinc/70/45/88/349704588.db2.gz AGAPAOAVSGNHER-CHWSQXEVSA-N 2 2 223.364 2.000 20 30 BEEDLP CCC[N@H+]1CC[C@@H]([NH2+]C[C@H](C)CCC#N)C1 ZINC000602712137 349704591 /nfs/dbraw/zinc/70/45/91/349704591.db2.gz AGAPAOAVSGNHER-CHWSQXEVSA-N 2 2 223.364 2.000 20 30 BEEDLP C[N@H+](CCC[NH+]1CCCCC1)[C@@H]1CCC[C@@H]1C#N ZINC000602979581 349844285 /nfs/dbraw/zinc/84/42/85/349844285.db2.gz GCGRQPMOHSDNOW-HUUCEWRRSA-N 2 2 249.402 2.486 20 30 BEEDLP C[N@@H+](CCC[NH+]1CCCCC1)[C@@H]1CCC[C@@H]1C#N ZINC000602979581 349844287 /nfs/dbraw/zinc/84/42/87/349844287.db2.gz GCGRQPMOHSDNOW-HUUCEWRRSA-N 2 2 249.402 2.486 20 30 BEEDLP C=CC[C@H]1CC[N@@H+](CCn2cc[nH+]c2C)C1 ZINC000625704634 344049651 /nfs/dbraw/zinc/04/96/51/344049651.db2.gz ZBTNPPHBKJTLET-ZDUSSCGKSA-N 2 2 219.332 2.090 20 30 BEEDLP C=CC[C@H]1CC[N@H+](CCn2cc[nH+]c2C)C1 ZINC000625704634 344049652 /nfs/dbraw/zinc/04/96/52/344049652.db2.gz ZBTNPPHBKJTLET-ZDUSSCGKSA-N 2 2 219.332 2.090 20 30 BEEDLP C=CCC[C@@H](C)[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000126826099 344184290 /nfs/dbraw/zinc/18/42/90/344184290.db2.gz PDFUKOMLDIOUDK-NEPJUHHUSA-N 2 2 208.349 2.167 20 30 BEEDLP C=CCC[C@@H](C)[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000126826099 344184291 /nfs/dbraw/zinc/18/42/91/344184291.db2.gz PDFUKOMLDIOUDK-NEPJUHHUSA-N 2 2 208.349 2.167 20 30 BEEDLP C=CC[N@H+](Cc1ccccc1)CC12CC(C1)C[NH2+]2 ZINC000634992622 345180856 /nfs/dbraw/zinc/18/08/56/345180856.db2.gz WBSGHRIADZJVMD-UHFFFAOYSA-N 2 2 242.366 2.427 20 30 BEEDLP C=CC[N@@H+](Cc1ccccc1)CC12CC(C1)C[NH2+]2 ZINC000634992622 345180861 /nfs/dbraw/zinc/18/08/61/345180861.db2.gz WBSGHRIADZJVMD-UHFFFAOYSA-N 2 2 242.366 2.427 20 30 BEEDLP C=CC[NH+]1CCC([NH2+][C@H]2CC[C@H]2CC)CC1 ZINC000309703006 347144803 /nfs/dbraw/zinc/14/48/03/347144803.db2.gz NIEHOVQSWWEWJA-OCCSQVGLSA-N 2 2 222.376 2.415 20 30 BEEDLP CC[C@@H](CC#N)[NH2+]CCC[NH+](CC)CC ZINC000036987462 347998407 /nfs/dbraw/zinc/99/84/07/347998407.db2.gz YXDGGPCUGPLKDS-LBPRGKRZSA-N 2 2 211.353 2.000 20 30 BEEDLP CC[N@H+](CCCCn1cc[nH+]c1C)[C@@H](C)C#N ZINC000595821387 348363229 /nfs/dbraw/zinc/36/32/29/348363229.db2.gz VAIUPFJERQSXAI-LBPRGKRZSA-N 2 2 234.347 2.206 20 30 BEEDLP CC[N@@H+](CCCCn1cc[nH+]c1C)[C@@H](C)C#N ZINC000595821387 348363231 /nfs/dbraw/zinc/36/32/31/348363231.db2.gz VAIUPFJERQSXAI-LBPRGKRZSA-N 2 2 234.347 2.206 20 30 BEEDLP CC(C)[C@](C)(C[NH3+])[NH2+]Cc1ccccc1C#N ZINC000598680063 349021765 /nfs/dbraw/zinc/02/17/65/349021765.db2.gz RZRRGXKLNXYXLR-AWEZNQCLSA-N 2 2 231.343 2.021 20 30 BEEDLP C[C@H]([NH2+]Cc1cccc(C#N)c1)[C@H]1CCCC[NH2+]1 ZINC000386088861 362939565 /nfs/dbraw/zinc/93/95/65/362939565.db2.gz HVCYWBRJGWURNB-SWLSCSKDSA-N 2 2 243.354 2.178 20 30 BEEDLP C=C(C)C[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000365650768 350546251 /nfs/dbraw/zinc/54/62/51/350546251.db2.gz STHSVCWHZGRECQ-LBPRGKRZSA-N 2 2 219.332 2.176 20 30 BEEDLP C=C(C)C[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000365650768 350546254 /nfs/dbraw/zinc/54/62/54/350546254.db2.gz STHSVCWHZGRECQ-LBPRGKRZSA-N 2 2 219.332 2.176 20 30 BEEDLP C=CCC[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000606897944 350623250 /nfs/dbraw/zinc/62/32/50/350623250.db2.gz OMQSIVWIBPVLCL-GFCCVEGCSA-N 2 2 205.305 2.096 20 30 BEEDLP C=CCC[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000606897944 350623252 /nfs/dbraw/zinc/62/32/52/350623252.db2.gz OMQSIVWIBPVLCL-GFCCVEGCSA-N 2 2 205.305 2.096 20 30 BEEDLP Cc1c[nH+]ccc1OC1CC[NH+](CCC#N)CC1 ZINC000284380214 351996217 /nfs/dbraw/zinc/99/62/17/351996217.db2.gz UVQPHGGGPJNKNW-UHFFFAOYSA-N 2 2 245.326 2.147 20 30 BEEDLP Cc1c[nH+]ccc1CC[NH2+]C[C@@H](C)CCC#N ZINC000618888387 352166626 /nfs/dbraw/zinc/16/66/26/352166626.db2.gz XGDOBJVCVQQUFE-LBPRGKRZSA-N 2 2 231.343 2.462 20 30 BEEDLP C#CCCC[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000285602083 353536944 /nfs/dbraw/zinc/53/69/44/353536944.db2.gz JVADYAMNLJPNBE-UHFFFAOYSA-N 2 2 248.370 2.447 20 30 BEEDLP C#CCCC[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000285602083 353536946 /nfs/dbraw/zinc/53/69/46/353536946.db2.gz JVADYAMNLJPNBE-UHFFFAOYSA-N 2 2 248.370 2.447 20 30 BEEDLP C#CCCC[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000285602083 353536949 /nfs/dbraw/zinc/53/69/49/353536949.db2.gz JVADYAMNLJPNBE-UHFFFAOYSA-N 2 2 248.370 2.447 20 30 BEEDLP C#CCCC[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000285602083 353536951 /nfs/dbraw/zinc/53/69/51/353536951.db2.gz JVADYAMNLJPNBE-UHFFFAOYSA-N 2 2 248.370 2.447 20 30 BEEDLP C#CCCC[NH2+][C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000289398457 353627150 /nfs/dbraw/zinc/62/71/50/353627150.db2.gz NPDYZPPMRSVVAH-CVEARBPZSA-N 2 2 242.366 2.435 20 30 BEEDLP C#CCCC[NH2+][C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000289398457 353627152 /nfs/dbraw/zinc/62/71/52/353627152.db2.gz NPDYZPPMRSVVAH-CVEARBPZSA-N 2 2 242.366 2.435 20 30 BEEDLP C=CC[N@H+](C)CCCc1c[nH+]ccc1C ZINC000289855734 353639491 /nfs/dbraw/zinc/63/94/91/353639491.db2.gz VOGWXQPOXCPOOA-UHFFFAOYSA-N 2 2 204.317 2.440 20 30 BEEDLP C=CC[N@@H+](C)CCCc1c[nH+]ccc1C ZINC000289855734 353639493 /nfs/dbraw/zinc/63/94/93/353639493.db2.gz VOGWXQPOXCPOOA-UHFFFAOYSA-N 2 2 204.317 2.440 20 30 BEEDLP N#CCCC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000040444275 181036205 /nfs/dbraw/zinc/03/62/05/181036205.db2.gz UCDAGXCGUJKZLM-UHFFFAOYSA-N 2 2 235.375 2.240 20 30 BEEDLP C=C(C[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C)c1ccccc1 ZINC000343802699 354006606 /nfs/dbraw/zinc/00/66/06/354006606.db2.gz DXDUCFROAIEDIA-UKRRQHHQSA-N 2 2 230.355 2.240 20 30 BEEDLP C=C(C[NH2+][C@@H]1C[N@H+](C)C[C@H]1C)c1ccccc1 ZINC000343802699 354006608 /nfs/dbraw/zinc/00/66/08/354006608.db2.gz DXDUCFROAIEDIA-UKRRQHHQSA-N 2 2 230.355 2.240 20 30 BEEDLP C=CCC[C@H](C)[NH2+]CC[N@@H+](CC)C1CC1 ZINC000230660367 363316797 /nfs/dbraw/zinc/31/67/97/363316797.db2.gz FOOGDJIJNVMOOH-LBPRGKRZSA-N 2 2 210.365 2.415 20 30 BEEDLP C=CCC[C@H](C)[NH2+]CC[N@H+](CC)C1CC1 ZINC000230660367 363316801 /nfs/dbraw/zinc/31/68/01/363316801.db2.gz FOOGDJIJNVMOOH-LBPRGKRZSA-N 2 2 210.365 2.415 20 30 BEEDLP N#Cc1ccc(C[NH2+]CCC[NH+]2CCCCC2)o1 ZINC000135134509 181108460 /nfs/dbraw/zinc/10/84/60/181108460.db2.gz FNQPYMDNSHPFAD-UHFFFAOYSA-N 2 2 247.342 2.117 20 30 BEEDLP C=CCOc1ccccc1C[N@@H+]1CCC[NH2+]CC1 ZINC000346636963 355014962 /nfs/dbraw/zinc/01/49/62/355014962.db2.gz INJZXFWNDGELKD-UHFFFAOYSA-N 2 2 246.354 2.047 20 30 BEEDLP C=CCOc1ccccc1C[N@H+]1CCC[NH2+]CC1 ZINC000346636963 355014965 /nfs/dbraw/zinc/01/49/65/355014965.db2.gz INJZXFWNDGELKD-UHFFFAOYSA-N 2 2 246.354 2.047 20 30 BEEDLP C[C@H](CCC#N)[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000351331142 355980569 /nfs/dbraw/zinc/98/05/69/355980569.db2.gz RLDIKOYHKHZGSC-OCCSQVGLSA-N 2 2 245.326 2.227 20 30 BEEDLP C[C@H](CCC#N)[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000351331142 355980571 /nfs/dbraw/zinc/98/05/71/355980571.db2.gz RLDIKOYHKHZGSC-OCCSQVGLSA-N 2 2 245.326 2.227 20 30 BEEDLP C=CCOc1ccccc1C[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000422906920 192502340 /nfs/dbraw/zinc/50/23/40/192502340.db2.gz KNVYNTSMQXYTAQ-KGLIPLIRSA-N 2 2 246.354 2.221 20 30 BEEDLP CC[C@@H]1C[N@H+](Cc2ccccc2C#N)CC[C@@H]1[NH3+] ZINC000122691305 363494140 /nfs/dbraw/zinc/49/41/40/363494140.db2.gz UFQSZJQAMLYZFZ-DOMZBBRYSA-N 2 2 243.354 2.117 20 30 BEEDLP CC[C@@H]1C[N@@H+](Cc2ccccc2C#N)CC[C@@H]1[NH3+] ZINC000122691305 363494148 /nfs/dbraw/zinc/49/41/48/363494148.db2.gz UFQSZJQAMLYZFZ-DOMZBBRYSA-N 2 2 243.354 2.117 20 30 BEEDLP CC[N@@H+]1CC[C@@H]([NH+](C)CC2(C#N)CCC2)C[C@@H]1C ZINC000450465072 202174181 /nfs/dbraw/zinc/17/41/81/202174181.db2.gz DATVSRREWGURCN-UONOGXRCSA-N 2 2 249.402 2.485 20 30 BEEDLP CC[N@H+]1CC[C@@H]([NH+](C)CC2(C#N)CCC2)C[C@@H]1C ZINC000450465072 202174182 /nfs/dbraw/zinc/17/41/82/202174182.db2.gz DATVSRREWGURCN-UONOGXRCSA-N 2 2 249.402 2.485 20 30 BEEDLP CC[NH+]1CC[C@@H]([N@H+](C)CC2(C#N)CCC2)C[C@@H]1C ZINC000450465072 202174183 /nfs/dbraw/zinc/17/41/83/202174183.db2.gz DATVSRREWGURCN-UONOGXRCSA-N 2 2 249.402 2.485 20 30 BEEDLP CC[NH+]1CC[C@@H]([N@@H+](C)CC2(C#N)CCC2)C[C@@H]1C ZINC000450465072 202174185 /nfs/dbraw/zinc/17/41/85/202174185.db2.gz DATVSRREWGURCN-UONOGXRCSA-N 2 2 249.402 2.485 20 30 BEEDLP C=CC[C@H]1CC[N@@H+](Cc2c[nH+]c(C)n2C)C1 ZINC000628406069 357200557 /nfs/dbraw/zinc/20/05/57/357200557.db2.gz BAVLQKHJEZXRRV-LBPRGKRZSA-N 2 2 219.332 2.127 20 30 BEEDLP C=CC[C@H]1CC[N@H+](Cc2c[nH+]c(C)n2C)C1 ZINC000628406069 357200560 /nfs/dbraw/zinc/20/05/60/357200560.db2.gz BAVLQKHJEZXRRV-LBPRGKRZSA-N 2 2 219.332 2.127 20 30 BEEDLP C=CC[C@H]1CC[N@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000628406749 357201592 /nfs/dbraw/zinc/20/15/92/357201592.db2.gz PXJOZMJEIZCTTE-LBPRGKRZSA-N 2 2 231.343 2.227 20 30 BEEDLP C=CC[C@H]1CC[N@@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000628406749 357201597 /nfs/dbraw/zinc/20/15/97/357201597.db2.gz PXJOZMJEIZCTTE-LBPRGKRZSA-N 2 2 231.343 2.227 20 30 BEEDLP CC(C)[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000423272211 192665489 /nfs/dbraw/zinc/66/54/89/192665489.db2.gz JPYSHYKLPZSZSV-YGRLFVJLSA-N 2 2 249.333 2.331 20 30 BEEDLP Cc1cc[nH+]cc1CCC[NH2+]CC1(C#N)CC1 ZINC000583839293 357969504 /nfs/dbraw/zinc/96/95/04/357969504.db2.gz CGRYTPHDGXDRCM-UHFFFAOYSA-N 2 2 229.327 2.216 20 30 BEEDLP C=CCSCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000127514999 358563068 /nfs/dbraw/zinc/56/30/68/358563068.db2.gz RCCXQNNOUNLTFM-VXGBXAGGSA-N 2 2 240.416 2.120 20 30 BEEDLP C=CCSCC[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000127514999 358563071 /nfs/dbraw/zinc/56/30/71/358563071.db2.gz RCCXQNNOUNLTFM-VXGBXAGGSA-N 2 2 240.416 2.120 20 30 BEEDLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCCCC#N ZINC000177326290 134299341 /nfs/dbraw/zinc/29/93/41/134299341.db2.gz PMDQNDBPZBCONR-KGLIPLIRSA-N 2 2 235.375 2.239 20 30 BEEDLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCCCC#N ZINC000177326290 134299342 /nfs/dbraw/zinc/29/93/42/134299342.db2.gz PMDQNDBPZBCONR-KGLIPLIRSA-N 2 2 235.375 2.239 20 30 BEEDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCCCC#N ZINC000177326290 134299343 /nfs/dbraw/zinc/29/93/43/134299343.db2.gz PMDQNDBPZBCONR-KGLIPLIRSA-N 2 2 235.375 2.239 20 30 BEEDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCCCC#N ZINC000177326290 134299344 /nfs/dbraw/zinc/29/93/44/134299344.db2.gz PMDQNDBPZBCONR-KGLIPLIRSA-N 2 2 235.375 2.239 20 30 BEEDLP CC(C)[NH2+][C@H]1CCC[N@H+](CCC(C)(C)C#N)C1 ZINC000611463089 359373799 /nfs/dbraw/zinc/37/37/99/359373799.db2.gz UMQAUSVGDANZNJ-ZDUSSCGKSA-N 2 2 237.391 2.389 20 30 BEEDLP CC(C)[NH2+][C@H]1CCC[N@@H+](CCC(C)(C)C#N)C1 ZINC000611463089 359373802 /nfs/dbraw/zinc/37/38/02/359373802.db2.gz UMQAUSVGDANZNJ-ZDUSSCGKSA-N 2 2 237.391 2.389 20 30 BEEDLP C=CCOc1ccc(C[NH2+][C@@H]2CC[NH2+][C@H]2C)cc1 ZINC000629405353 361055146 /nfs/dbraw/zinc/05/51/46/361055146.db2.gz JCCGPBGIEIZHOH-SWLSCSKDSA-N 2 2 246.354 2.091 20 30 BEEDLP C[C@H]1C[C@@H]([NH2+]Cc2cc(C#N)cs2)CC[N@@H+]1C ZINC000093492700 361682082 /nfs/dbraw/zinc/68/20/82/361682082.db2.gz CPIAKABGGVTTSI-JQWIXIFHSA-N 2 2 249.383 2.192 20 30 BEEDLP C[C@H]1C[C@@H]([NH2+]Cc2cc(C#N)cs2)CC[N@H+]1C ZINC000093492700 361682089 /nfs/dbraw/zinc/68/20/89/361682089.db2.gz CPIAKABGGVTTSI-JQWIXIFHSA-N 2 2 249.383 2.192 20 30 BEEDLP C=CCC[N@@H+]1CCC[C@H]1C[NH+]1CCCC1 ZINC000172624360 365355207 /nfs/dbraw/zinc/35/52/07/365355207.db2.gz MRVJRGOVEVENFU-ZDUSSCGKSA-N 2 2 208.349 2.123 20 30 BEEDLP C=CCC[N@H+]1CCC[C@H]1C[NH+]1CCCC1 ZINC000172624360 365355212 /nfs/dbraw/zinc/35/52/12/365355212.db2.gz MRVJRGOVEVENFU-ZDUSSCGKSA-N 2 2 208.349 2.123 20 30 BEEDLP C=CCC(C)(C)C[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000339418238 365460674 /nfs/dbraw/zinc/46/06/74/365460674.db2.gz ZECVMVGLFAFOBK-NWDGAFQWSA-N 2 2 210.365 2.128 20 30 BEEDLP C=CCC(C)(C)C[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000339418238 365460678 /nfs/dbraw/zinc/46/06/78/365460678.db2.gz ZECVMVGLFAFOBK-NWDGAFQWSA-N 2 2 210.365 2.128 20 30 BEEDLP C=C(CC)C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000576118433 365492574 /nfs/dbraw/zinc/49/25/74/365492574.db2.gz LWWACQARHPQECL-GFCCVEGCSA-N 2 2 219.332 2.176 20 30 BEEDLP C=C(CC)C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000576118433 365492580 /nfs/dbraw/zinc/49/25/80/365492580.db2.gz LWWACQARHPQECL-GFCCVEGCSA-N 2 2 219.332 2.176 20 30 BEEDLP C=CCC[C@H](CC)[NH2+]CCc1cn(C)c[nH+]1 ZINC000459672779 203333848 /nfs/dbraw/zinc/33/38/48/203333848.db2.gz YHABGYRXQHVUEG-LBPRGKRZSA-N 2 2 221.348 2.297 20 30 BEEDLP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC000019960173 371211643 /nfs/dbraw/zinc/21/16/43/371211643.db2.gz UPDUSJAISLSJIB-OAHLLOKOSA-N 2 2 243.354 2.132 20 30 BEEDLP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC000019960173 371211647 /nfs/dbraw/zinc/21/16/47/371211647.db2.gz UPDUSJAISLSJIB-OAHLLOKOSA-N 2 2 243.354 2.132 20 30 BEEDLP C[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccc(C#N)c(F)c1 ZINC000335176436 371529878 /nfs/dbraw/zinc/52/98/78/371529878.db2.gz DVJGCMGHHXQSMF-ZWNOBZJWSA-N 2 2 247.317 2.100 20 30 BEEDLP N#C[C@H]1CCC[C@H]([NH2+]CC[NH+]2CCCCC2)C1 ZINC000192641516 205957544 /nfs/dbraw/zinc/95/75/44/205957544.db2.gz XTPBNZLZJJJKMY-KBPBESRZSA-N 2 2 235.375 2.144 20 30 BEEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)C(C)C)CC1 ZINC000167401097 206144214 /nfs/dbraw/zinc/14/42/14/206144214.db2.gz AFBYAFFLGBFBCA-LBPRGKRZSA-N 2 2 210.365 2.271 20 30 BEEDLP N#CCCCC[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000131811758 383862784 /nfs/dbraw/zinc/86/27/84/383862784.db2.gz QNIMNGFUSLUJMG-AWEZNQCLSA-N 2 2 245.326 2.229 20 30 BEEDLP C[C@H](C[NH3+])[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000335467698 384290337 /nfs/dbraw/zinc/29/03/37/384290337.db2.gz BWRLXCCTHSBERQ-ABAIWWIYSA-N 2 2 243.354 2.263 20 30 BEEDLP C=CCOc1ccc(C[N@@H+](C)CC(C)(C)[NH3+])cc1 ZINC000647513403 384417728 /nfs/dbraw/zinc/41/77/28/384417728.db2.gz YSCSSQCAWMWYGA-UHFFFAOYSA-N 2 2 248.370 2.421 20 30 BEEDLP C=CCOc1ccc(C[N@H+](C)CC(C)(C)[NH3+])cc1 ZINC000647513403 384417730 /nfs/dbraw/zinc/41/77/30/384417730.db2.gz YSCSSQCAWMWYGA-UHFFFAOYSA-N 2 2 248.370 2.421 20 30 BEEDLP C=CC[NH+]1CCC([NH2+][C@@H]2C[C@H](C)[C@H]2C)CC1 ZINC000309745064 384578719 /nfs/dbraw/zinc/57/87/19/384578719.db2.gz FIVUQQZOHRXRIK-OUCADQQQSA-N 2 2 222.376 2.271 20 30 BEEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)C2CCC2)CC1 ZINC000177907105 385139332 /nfs/dbraw/zinc/13/93/32/385139332.db2.gz SLSNVLSPBUWGDB-LBPRGKRZSA-N 2 2 222.376 2.415 20 30 BEEDLP C=CC[NH+]1CCC([NH2+][C@H](C)C2CCC2)CC1 ZINC000177907120 385139430 /nfs/dbraw/zinc/13/94/30/385139430.db2.gz SLSNVLSPBUWGDB-GFCCVEGCSA-N 2 2 222.376 2.415 20 30 BEEDLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1cccc(C#N)c1 ZINC000181580488 385515226 /nfs/dbraw/zinc/51/52/26/385515226.db2.gz HEYPRRKOYKHQQQ-SWLSCSKDSA-N 2 2 243.354 2.303 20 30 BEEDLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1cccc(C#N)c1 ZINC000181580488 385515227 /nfs/dbraw/zinc/51/52/27/385515227.db2.gz HEYPRRKOYKHQQQ-SWLSCSKDSA-N 2 2 243.354 2.303 20 30 BEEDLP C=CC[C@H](CC)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000309440429 385583342 /nfs/dbraw/zinc/58/33/42/385583342.db2.gz IIGUNXVODTUXJA-MBNYWOFBSA-N 2 2 222.376 2.413 20 30 BEEDLP C=CC[C@H](CC)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000309440429 385583343 /nfs/dbraw/zinc/58/33/43/385583343.db2.gz IIGUNXVODTUXJA-MBNYWOFBSA-N 2 2 222.376 2.413 20 30 BEEDLP C=CC[NH+]1CCC([NH2+][C@H](C)[C@H]2C[C@H]2C)CC1 ZINC000414129843 385976801 /nfs/dbraw/zinc/97/68/01/385976801.db2.gz VNKJUODKGBBVTM-BZPMIXESSA-N 2 2 222.376 2.271 20 30 BEEDLP CC1CC[NH+](CC[NH2+][C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000442725923 386576515 /nfs/dbraw/zinc/57/65/15/386576515.db2.gz QOIMCRZXBITQPY-ZIAGYGMSSA-N 2 2 235.375 2.000 20 30 BEEDLP C=CCOc1ccccc1C[NH2+]CC(C)(C)[NH3+] ZINC000414810093 386624746 /nfs/dbraw/zinc/62/47/46/386624746.db2.gz WRYVKIZXOARUTG-UHFFFAOYSA-N 2 2 234.343 2.078 20 30 BEEDLP C=CCC[C@H]([NH2+][C@H](C)C[NH3+])c1ccco1 ZINC000423319830 387162454 /nfs/dbraw/zinc/16/24/54/387162454.db2.gz FPYUEGDDCTYRAN-MNOVXSKESA-N 2 2 208.305 2.224 20 30 BEEDLP C=CC(C)(C)CC[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000527734774 387682129 /nfs/dbraw/zinc/68/21/29/387682129.db2.gz JMEIYBBSZVFRRF-RYUDHWBXSA-N 2 2 210.365 2.128 20 30 BEEDLP C=CC(C)(C)CC[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000527734774 387682130 /nfs/dbraw/zinc/68/21/30/387682130.db2.gz JMEIYBBSZVFRRF-RYUDHWBXSA-N 2 2 210.365 2.128 20 30 BEEDLP Cc1c[nH+]ccc1CC[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000442841183 387849815 /nfs/dbraw/zinc/84/98/15/387849815.db2.gz FXTNWRDQVPNEKW-TZMCWYRMSA-N 2 2 229.327 2.214 20 30 BEEDLP Cc1c[nH+]ccc1CC[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000442841180 387849870 /nfs/dbraw/zinc/84/98/70/387849870.db2.gz FXTNWRDQVPNEKW-JSGCOSHPSA-N 2 2 229.327 2.214 20 30 BEEDLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000442854826 387850887 /nfs/dbraw/zinc/85/08/87/387850887.db2.gz JMBGABGSLHBIFX-RDBSUJKOSA-N 2 2 249.402 2.389 20 30 BEEDLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000442854826 387850891 /nfs/dbraw/zinc/85/08/91/387850891.db2.gz JMBGABGSLHBIFX-RDBSUJKOSA-N 2 2 249.402 2.389 20 30 BEEDLP CC[NH+](CC)CC[NH2+]C1CCC(C)(C#N)CC1 ZINC000449219582 388159306 /nfs/dbraw/zinc/15/93/06/388159306.db2.gz NUIQOCWIMLPDBW-UHFFFAOYSA-N 2 2 237.391 2.390 20 30 BEEDLP C=C[C@H]1CCCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000489392649 388211081 /nfs/dbraw/zinc/21/10/81/388211081.db2.gz AVVRHTHVCWKMSF-ZDUSSCGKSA-N 2 2 219.332 2.314 20 30 BEEDLP C=C[C@H]1CCCC[N@H+]1CCCn1cc[nH+]c1 ZINC000489392649 388211085 /nfs/dbraw/zinc/21/10/85/388211085.db2.gz AVVRHTHVCWKMSF-ZDUSSCGKSA-N 2 2 219.332 2.314 20 30 BEEDLP C=C(C)CC[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000449480835 388215140 /nfs/dbraw/zinc/21/51/40/388215140.db2.gz ZYSBWBWIUKIYLR-WCQYABFASA-N 2 2 208.349 2.025 20 30 BEEDLP C=C(C)CC[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000449480835 388215143 /nfs/dbraw/zinc/21/51/43/388215143.db2.gz ZYSBWBWIUKIYLR-WCQYABFASA-N 2 2 208.349 2.025 20 30 BEEDLP C[C@H]([NH2+]CC[NH+]1CCCC1)c1cccc(C#N)c1 ZINC000037228740 388238174 /nfs/dbraw/zinc/23/81/74/388238174.db2.gz SFPBOKHRFDPWRI-ZDUSSCGKSA-N 2 2 243.354 2.305 20 30 BEEDLP C#C[C@H]([NH2+]Cc1c[nH+]c2c(C)cccn12)C(C)C ZINC000491659186 388308900 /nfs/dbraw/zinc/30/89/00/388308900.db2.gz CHOARWBGYUUAAB-AWEZNQCLSA-N 2 2 241.338 2.390 20 30 BEEDLP C#CC[N@H+](Cc1c[nH+]c[nH]1)C1CCCCC1 ZINC000491723406 388314717 /nfs/dbraw/zinc/31/47/17/388314717.db2.gz BGTHMQCFYLKUHR-UHFFFAOYSA-N 2 2 217.316 2.178 20 30 BEEDLP C#CC[N@@H+](Cc1c[nH+]c[nH]1)C1CCCCC1 ZINC000491723406 388314718 /nfs/dbraw/zinc/31/47/18/388314718.db2.gz BGTHMQCFYLKUHR-UHFFFAOYSA-N 2 2 217.316 2.178 20 30 BEEDLP N#CC1(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CCCC1 ZINC000405104004 388637537 /nfs/dbraw/zinc/63/75/37/388637537.db2.gz FUZBSSIELNJNAK-KBPBESRZSA-N 2 2 247.386 2.287 20 30 BEEDLP N#CC1(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CCCC1 ZINC000405104004 388637539 /nfs/dbraw/zinc/63/75/39/388637539.db2.gz FUZBSSIELNJNAK-KBPBESRZSA-N 2 2 247.386 2.287 20 30 BEEDLP CC[C@@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccc(C#N)cc1 ZINC000423179462 388687773 /nfs/dbraw/zinc/68/77/73/388687773.db2.gz DJSZOOSBYHPWSM-LSDHHAIUSA-N 2 2 243.354 2.351 20 30 BEEDLP C[C@@H]([NH2+]CC1([NH3+])CCC1)c1ccc(C#N)cc1F ZINC000423335898 388691420 /nfs/dbraw/zinc/69/14/20/388691420.db2.gz UIXUKXZXEMPVAD-SNVBAGLBSA-N 2 2 247.317 2.229 20 30 BEEDLP CC(C)[N@H+](C)CC[NH2+]CC(C)(C)CCC#N ZINC000126746333 388700340 /nfs/dbraw/zinc/70/03/40/388700340.db2.gz UCLBMZOHLLCXLT-UHFFFAOYSA-N 2 2 225.380 2.246 20 30 BEEDLP CC(C)[N@@H+](C)CC[NH2+]CC(C)(C)CCC#N ZINC000126746333 388700341 /nfs/dbraw/zinc/70/03/41/388700341.db2.gz UCLBMZOHLLCXLT-UHFFFAOYSA-N 2 2 225.380 2.246 20 30 BEEDLP C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC000125537177 388790349 /nfs/dbraw/zinc/79/03/49/388790349.db2.gz FGBVIBXKGZKXKD-LLVKDONJSA-N 2 2 249.383 2.003 20 30 BEEDLP C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC000125537177 388790355 /nfs/dbraw/zinc/79/03/55/388790355.db2.gz FGBVIBXKGZKXKD-LLVKDONJSA-N 2 2 249.383 2.003 20 30 BEEDLP C[C@@H]([NH2+]C1CC[NH2+]CC1)c1ccc(C#N)cc1F ZINC000335007904 388827316 /nfs/dbraw/zinc/82/73/16/388827316.db2.gz AZAABBICWJFOAN-SNVBAGLBSA-N 2 2 247.317 2.100 20 30 BEEDLP CC1(C#N)CCC([NH2+][C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000336204831 134131549 /nfs/dbraw/zinc/13/15/49/134131549.db2.gz CKQXXIDWEGRCKS-JVWICGRDSA-N 2 2 247.386 2.285 20 30 BEEDLP CC1(C#N)CCC([NH2+][C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000336204831 134131550 /nfs/dbraw/zinc/13/15/50/134131550.db2.gz CKQXXIDWEGRCKS-JVWICGRDSA-N 2 2 247.386 2.285 20 30 BEEDLP C=C(Cl)C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000372991643 134233266 /nfs/dbraw/zinc/23/32/66/134233266.db2.gz SYGDLMIJEUGTFQ-LLVKDONJSA-N 2 2 216.756 2.155 20 30 BEEDLP C=C(Cl)C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000372991643 134233267 /nfs/dbraw/zinc/23/32/67/134233267.db2.gz SYGDLMIJEUGTFQ-LLVKDONJSA-N 2 2 216.756 2.155 20 30 BEEDLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185753238 134393007 /nfs/dbraw/zinc/39/30/07/134393007.db2.gz ICRXXAOUYAJOBL-MJBXVCDLSA-N 2 2 235.375 2.143 20 30 BEEDLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185753238 134393008 /nfs/dbraw/zinc/39/30/08/134393008.db2.gz ICRXXAOUYAJOBL-MJBXVCDLSA-N 2 2 235.375 2.143 20 30 BEEDLP N#C[C@H]1CC[C@@H]([NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000331485002 135011627 /nfs/dbraw/zinc/01/16/27/135011627.db2.gz AHFJQVPVFMCKHT-JLUCKKNBSA-N 2 2 241.338 2.413 20 30 BEEDLP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H](C#N)C2)C[N@@H+]1C1CC1 ZINC000248870534 135023699 /nfs/dbraw/zinc/02/36/99/135023699.db2.gz QNGSKWVUNKUJDI-MQYQWHSLSA-N 2 2 247.386 2.284 20 30 BEEDLP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H](C#N)C2)C[N@H+]1C1CC1 ZINC000248870534 135023702 /nfs/dbraw/zinc/02/37/02/135023702.db2.gz QNGSKWVUNKUJDI-MQYQWHSLSA-N 2 2 247.386 2.284 20 30 BEEDLP CC[N@@H+]1CCC[C@@H]1C[NH2+]CC(C)(C)CCC#N ZINC000112683270 135026894 /nfs/dbraw/zinc/02/68/94/135026894.db2.gz FKQUPWDBDFKGLK-CYBMUJFWSA-N 2 2 237.391 2.390 20 30 BEEDLP CC[N@H+]1CCC[C@@H]1C[NH2+]CC(C)(C)CCC#N ZINC000112683270 135026895 /nfs/dbraw/zinc/02/68/95/135026895.db2.gz FKQUPWDBDFKGLK-CYBMUJFWSA-N 2 2 237.391 2.390 20 30 BEEDLP C=CC[NH+]1CCC([NH2+]Cc2ccncc2C)CC1 ZINC000294955553 135188514 /nfs/dbraw/zinc/18/85/14/135188514.db2.gz FRIAZYXSBJKITI-UHFFFAOYSA-N 2 2 245.370 2.130 20 30 BEEDLP C[C@H](CCC#N)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000298732106 135200403 /nfs/dbraw/zinc/20/04/03/135200403.db2.gz VHVHRZXGQKEFEY-NEPJUHHUSA-N 2 2 232.331 2.281 20 30 BEEDLP C[C@H](CCC#N)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000298732106 135200404 /nfs/dbraw/zinc/20/04/04/135200404.db2.gz VHVHRZXGQKEFEY-NEPJUHHUSA-N 2 2 232.331 2.281 20 30 BEEDLP C=CCOc1cccc(C[N@H+]2C[C@@H](C)[C@@H]([NH3+])C2)c1 ZINC000262032249 135274758 /nfs/dbraw/zinc/27/47/58/135274758.db2.gz OEBXBNBZNMHLJT-DOMZBBRYSA-N 2 2 246.354 2.030 20 30 BEEDLP C=CCOc1cccc(C[N@@H+]2C[C@@H](C)[C@@H]([NH3+])C2)c1 ZINC000262032249 135274760 /nfs/dbraw/zinc/27/47/60/135274760.db2.gz OEBXBNBZNMHLJT-DOMZBBRYSA-N 2 2 246.354 2.030 20 30 BEEDLP C=C(C)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000334342583 135364716 /nfs/dbraw/zinc/36/47/16/135364716.db2.gz KUIJXLOBUYNDJR-UHFFFAOYSA-N 2 2 205.305 2.165 20 30 BEEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(C)o1 ZINC000295087249 135378669 /nfs/dbraw/zinc/37/86/69/135378669.db2.gz UNDXUOKTUIVXLS-ZDUSSCGKSA-N 2 2 234.343 2.194 20 30 BEEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(C)o1 ZINC000295087249 135378670 /nfs/dbraw/zinc/37/86/70/135378670.db2.gz UNDXUOKTUIVXLS-ZDUSSCGKSA-N 2 2 234.343 2.194 20 30 BEEDLP C=CCOCCC[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000348042018 136028986 /nfs/dbraw/zinc/02/89/86/136028986.db2.gz FTLSLAIWJAKSHA-UHFFFAOYSA-N 2 2 249.358 2.182 20 30 BEEDLP C=CC[C@@H](CO)C[NH2+]CCCc1c[nH+]ccc1C ZINC000348134177 136038741 /nfs/dbraw/zinc/03/87/41/136038741.db2.gz FZXUFKYLELIDNC-CQSZACIVSA-N 2 2 248.370 2.097 20 30 BEEDLP C#CC[N@@H+](CC)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000490937645 398029359 /nfs/dbraw/zinc/02/93/59/398029359.db2.gz VLOOMWHAWGZIPB-UHFFFAOYSA-N 2 2 245.351 2.389 20 30 BEEDLP C#CC[N@H+](CC)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000490937645 398029362 /nfs/dbraw/zinc/02/93/62/398029362.db2.gz VLOOMWHAWGZIPB-UHFFFAOYSA-N 2 2 245.351 2.389 20 30 BEEDLP C=CCC[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1CC ZINC000096034279 166300581 /nfs/dbraw/zinc/30/05/81/166300581.db2.gz XMDBXXDNGCAQLL-STQMWFEESA-N 2 2 210.365 2.415 20 30 BEEDLP C=CCC[C@H](C)[NH2+]C[C@@H]1CCC[N@H+]1CC ZINC000096034279 166300579 /nfs/dbraw/zinc/30/05/79/166300579.db2.gz XMDBXXDNGCAQLL-STQMWFEESA-N 2 2 210.365 2.415 20 30 BEEDLP C=CC[NH+]1CCC([NH2+]Cc2occc2C)CC1 ZINC000266236571 166353533 /nfs/dbraw/zinc/35/35/33/166353533.db2.gz WAQYCIWVPMLARY-UHFFFAOYSA-N 2 2 234.343 2.328 20 30 BEEDLP C=CC[C@H]1CCC[N@H+](CCn2cc[nH+]c2)C1 ZINC000661381499 410597083 /nfs/dbraw/zinc/59/70/83/410597083.db2.gz MHZFTOSVICADTJ-ZDUSSCGKSA-N 2 2 219.332 2.171 20 30 BEEDLP C=CC[C@H]1CCC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000661381499 410597088 /nfs/dbraw/zinc/59/70/88/410597088.db2.gz MHZFTOSVICADTJ-ZDUSSCGKSA-N 2 2 219.332 2.171 20 30 BEEDLP CC[N@H+]([C@@H](C)CCCC#N)C1CC[NH+](C)CC1 ZINC001172506946 974860523 /nfs/dbraw/zinc/86/05/23/974860523.db2.gz MJJOJNSWPJKRAS-ZDUSSCGKSA-N 2 2 237.391 2.485 20 30 BEEDLP CC[N@@H+]([C@@H](C)CCCC#N)C1CC[NH+](C)CC1 ZINC001172506946 974860527 /nfs/dbraw/zinc/86/05/27/974860527.db2.gz MJJOJNSWPJKRAS-ZDUSSCGKSA-N 2 2 237.391 2.485 20 30 BEEDLP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H](C)[NH+](C)C)C1 ZINC000651752094 411141595 /nfs/dbraw/zinc/14/15/95/411141595.db2.gz UMKSHBCKCIXKEM-YNEHKIRRSA-N 2 2 210.365 2.271 20 30 BEEDLP C=CC[C@H]1CC[C@@H]([NH2+][C@@H](C)C[NH+](C)C)C1 ZINC000651806988 411144768 /nfs/dbraw/zinc/14/47/68/411144768.db2.gz GPXYPQWXKSVWMT-RWMBFGLXSA-N 2 2 210.365 2.271 20 30 BEEDLP C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC[NH+](C)C ZINC000658016167 411198977 /nfs/dbraw/zinc/19/89/77/411198977.db2.gz XGCSDCXUBRSBNE-OLZOCXBDSA-N 2 2 210.365 2.273 20 30 BEEDLP C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CCCn1cc[nH+]c1 ZINC000662087998 411982686 /nfs/dbraw/zinc/98/26/86/411982686.db2.gz SJHQAGDVQRKBHM-OKILXGFUSA-N 2 2 231.343 2.456 20 30 BEEDLP C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCn1cc[nH+]c1 ZINC000662087998 411982690 /nfs/dbraw/zinc/98/26/90/411982690.db2.gz SJHQAGDVQRKBHM-OKILXGFUSA-N 2 2 231.343 2.456 20 30 BEEDLP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(C#N)c2)CC[N@@H+]1C ZINC000090721810 176377170 /nfs/dbraw/zinc/37/71/70/176377170.db2.gz IEDMVCPJPGMGGU-DOMZBBRYSA-N 2 2 243.354 2.131 20 30 BEEDLP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(C#N)c2)CC[N@H+]1C ZINC000090721810 176377173 /nfs/dbraw/zinc/37/71/73/176377173.db2.gz IEDMVCPJPGMGGU-DOMZBBRYSA-N 2 2 243.354 2.131 20 30 BEEDLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C#N)s2)CC[N@@H+]1C ZINC000135693733 176377817 /nfs/dbraw/zinc/37/78/17/176377817.db2.gz DDOXLMLHTGCNHL-MNOVXSKESA-N 2 2 249.383 2.192 20 30 BEEDLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C#N)s2)CC[N@H+]1C ZINC000135693733 176377819 /nfs/dbraw/zinc/37/78/19/176377819.db2.gz DDOXLMLHTGCNHL-MNOVXSKESA-N 2 2 249.383 2.192 20 30 BEEDLP CC[C@@H](CC#N)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000545168080 487701172 /nfs/dbraw/zinc/70/11/72/487701172.db2.gz UTNAGGIWKUKWBL-ZDUSSCGKSA-N 2 2 235.375 2.143 20 30 BEEDLP Cc1ccc(CCC[NH2+]CC2(C#N)CC2)c[nH+]1 ZINC000569442256 322966188 /nfs/dbraw/zinc/96/61/88/322966188.db2.gz PUVWVIRBRWEQCQ-UHFFFAOYSA-N 2 2 229.327 2.216 20 30 BEEDLP C=CCC[C@H](C)[NH2+][C@H]1CC[N@@H+](CCC)C1 ZINC000389339386 488090802 /nfs/dbraw/zinc/09/08/02/488090802.db2.gz IXEQSCCLCNFZJV-STQMWFEESA-N 2 2 210.365 2.415 20 30 BEEDLP C=CCC[C@H](C)[NH2+][C@H]1CC[N@H+](CCC)C1 ZINC000389339386 488090808 /nfs/dbraw/zinc/09/08/08/488090808.db2.gz IXEQSCCLCNFZJV-STQMWFEESA-N 2 2 210.365 2.415 20 30 BEEDLP C=C(CC)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000678623555 488273290 /nfs/dbraw/zinc/27/32/90/488273290.db2.gz KNNGPJBXGIIKBP-ZDUSSCGKSA-N 2 2 219.332 2.486 20 30 BEEDLP C=C(CC)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000678623555 488273292 /nfs/dbraw/zinc/27/32/92/488273292.db2.gz KNNGPJBXGIIKBP-ZDUSSCGKSA-N 2 2 219.332 2.486 20 30 BEEDLP C=C[C@@H](C)[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000358324767 534508540 /nfs/dbraw/zinc/50/85/40/534508540.db2.gz XKQVXHCGHCVGSX-CYBMUJFWSA-N 2 2 245.370 2.210 20 30 BEEDLP C=C[C@H](C)[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000358324768 534665483 /nfs/dbraw/zinc/66/54/83/534665483.db2.gz XKQVXHCGHCVGSX-ZDUSSCGKSA-N 2 2 245.370 2.210 20 30 BEEDLP C=CCC[C@@H]([NH2+]CC[N@@H+](C)CC)C1CC1 ZINC000120568027 534797024 /nfs/dbraw/zinc/79/70/24/534797024.db2.gz UXCTWAFEDCEKRC-CYBMUJFWSA-N 2 2 210.365 2.273 20 30 BEEDLP C=CCC[C@@H]([NH2+]CC[N@H+](C)CC)C1CC1 ZINC000120568027 534797029 /nfs/dbraw/zinc/79/70/29/534797029.db2.gz UXCTWAFEDCEKRC-CYBMUJFWSA-N 2 2 210.365 2.273 20 30 BEEDLP C[N@@H+]1CC[C@@H]2CC[NH+](CC(C)(C)CCC#N)[C@H]2C1 ZINC000360676335 536463482 /nfs/dbraw/zinc/46/34/82/536463482.db2.gz ZQMQLHFNNODHLQ-KGLIPLIRSA-N 2 2 249.402 2.342 20 30 BEEDLP C[N@H+]1CC[C@@H]2CC[NH+](CC(C)(C)CCC#N)[C@H]2C1 ZINC000360676335 536463485 /nfs/dbraw/zinc/46/34/85/536463485.db2.gz ZQMQLHFNNODHLQ-KGLIPLIRSA-N 2 2 249.402 2.342 20 30 BEEDLP C[NH+]1CC[C@@H]2CC[N@H+](CC(C)(C)CCC#N)[C@H]2C1 ZINC000360676335 536463486 /nfs/dbraw/zinc/46/34/86/536463486.db2.gz ZQMQLHFNNODHLQ-KGLIPLIRSA-N 2 2 249.402 2.342 20 30 BEEDLP C[NH+]1CC[C@@H]2CC[N@@H+](CC(C)(C)CCC#N)[C@H]2C1 ZINC000360676335 536463488 /nfs/dbraw/zinc/46/34/88/536463488.db2.gz ZQMQLHFNNODHLQ-KGLIPLIRSA-N 2 2 249.402 2.342 20 30 BEEDLP C=C(Cl)C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000858140379 588935067 /nfs/dbraw/zinc/93/50/67/588935067.db2.gz CENHZNSUFHXJJE-SNVBAGLBSA-N 2 2 216.756 2.201 20 30 BEEDLP C=C(Cl)C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000858140379 588935068 /nfs/dbraw/zinc/93/50/68/588935068.db2.gz CENHZNSUFHXJJE-SNVBAGLBSA-N 2 2 216.756 2.201 20 30 BEEDLP C#CC[N@@H+](Cc1c[nH+]cn1C(C)C)C(C)C ZINC000897170914 583889123 /nfs/dbraw/zinc/88/91/23/583889123.db2.gz LBVUIKJGVDUYRS-UHFFFAOYSA-N 2 2 219.332 2.308 20 30 BEEDLP C#CC[N@H+](Cc1c[nH+]cn1C(C)C)C(C)C ZINC000897170914 583889125 /nfs/dbraw/zinc/88/91/25/583889125.db2.gz LBVUIKJGVDUYRS-UHFFFAOYSA-N 2 2 219.332 2.308 20 30 BEEDLP CC1(C)CC[N@H+](CC[NH2+][C@H]2CC[C@H](C#N)C2)C1 ZINC000898034099 584078557 /nfs/dbraw/zinc/07/85/57/584078557.db2.gz HYMKLUFESICYEW-STQMWFEESA-N 2 2 235.375 2.000 20 30 BEEDLP CC1(C)CC[N@@H+](CC[NH2+][C@H]2CC[C@H](C#N)C2)C1 ZINC000898034099 584078558 /nfs/dbraw/zinc/07/85/58/584078558.db2.gz HYMKLUFESICYEW-STQMWFEESA-N 2 2 235.375 2.000 20 30 BEEDLP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1cccc(C#N)c1 ZINC000902478953 584603687 /nfs/dbraw/zinc/60/36/87/584603687.db2.gz ZCWIACNBOAGVHT-OADPDTJPSA-N 2 2 241.338 2.102 20 30 BEEDLP C[C@H]([NH2+][C@H]1C[NH2+]CC1(C)C)c1ccc(C#N)cc1 ZINC000902450816 584606784 /nfs/dbraw/zinc/60/67/84/584606784.db2.gz UMMJZCFMDCTYGV-FZMZJTMJSA-N 2 2 243.354 2.207 20 30 BEEDLP C=CCC[C@H](CC)[NH2+][C@H]1CC[N@H+](C)[C@@H]1C ZINC000903300941 584744510 /nfs/dbraw/zinc/74/45/10/584744510.db2.gz LFWLYZXQOHGNMF-AGIUHOORSA-N 2 2 210.365 2.413 20 30 BEEDLP C=CCC[C@H](CC)[NH2+][C@H]1CC[N@@H+](C)[C@@H]1C ZINC000903300941 584744511 /nfs/dbraw/zinc/74/45/11/584744511.db2.gz LFWLYZXQOHGNMF-AGIUHOORSA-N 2 2 210.365 2.413 20 30 BEEDLP C=CCC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H]1C)C1CC1 ZINC000903301860 584744643 /nfs/dbraw/zinc/74/46/43/584744643.db2.gz WERSUMCREACETB-YUTCNCBUSA-N 2 2 222.376 2.413 20 30 BEEDLP C=CCC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H]1C)C1CC1 ZINC000903301860 584744645 /nfs/dbraw/zinc/74/46/45/584744645.db2.gz WERSUMCREACETB-YUTCNCBUSA-N 2 2 222.376 2.413 20 30 BEEDLP Cc1cc(C#N)cc(C)c1C[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC000903420922 584763503 /nfs/dbraw/zinc/76/35/03/584763503.db2.gz GRWTULLMYMAKBE-CQSZACIVSA-N 2 2 243.354 2.098 20 30 BEEDLP Cc1cc(C#N)cc(C)c1C[N@H+]1CCC[C@@H]([NH3+])C1 ZINC000903420922 584763504 /nfs/dbraw/zinc/76/35/04/584763504.db2.gz GRWTULLMYMAKBE-CQSZACIVSA-N 2 2 243.354 2.098 20 30 BEEDLP N#CC1(CCCC[N@H+]2CCC[C@@H]([NH3+])C2)CCC1 ZINC000903713513 584793777 /nfs/dbraw/zinc/79/37/77/584793777.db2.gz UGVODDVFWPVODG-CYBMUJFWSA-N 2 2 235.375 2.274 20 30 BEEDLP N#CC1(CCCC[N@@H+]2CCC[C@@H]([NH3+])C2)CCC1 ZINC000903713513 584793778 /nfs/dbraw/zinc/79/37/78/584793778.db2.gz UGVODDVFWPVODG-CYBMUJFWSA-N 2 2 235.375 2.274 20 30 BEEDLP C[C@H]([NH2+][C@H]1C[NH2+]C[C@@H](C)C1)c1cccc(C#N)c1 ZINC000903949449 584830389 /nfs/dbraw/zinc/83/03/89/584830389.db2.gz ATVBGDCTPXZVNR-SLEUVZQESA-N 2 2 243.354 2.207 20 30 BEEDLP C=CCC[C@@H](C)[NH2+]Cc1cc(N)cc[nH+]1 ZINC000903950565 584830968 /nfs/dbraw/zinc/83/09/68/584830968.db2.gz OGWOJMVGEVQEHM-SNVBAGLBSA-N 2 2 205.305 2.108 20 30 BEEDLP CC(=[NH+]Nc1cc[nH+]cc1)c1cc(N)ccc1F ZINC000814899731 586646328 /nfs/dbraw/zinc/64/63/28/586646328.db2.gz KPCZFKWGEHQNLM-UHFFFAOYSA-N 2 2 244.273 2.061 20 30 BEEDLP Cc1cc[nH+]cc1CCC[NH+]1CC(CC#N)C1 ZINC000826990187 587367033 /nfs/dbraw/zinc/36/70/33/587367033.db2.gz BYEAQCQRSRWNQX-UHFFFAOYSA-N 2 2 229.327 2.168 20 30 BEEDLP CC[N@@H+]1CC[C@@H]([NH2+]CC2(C#N)CCCC2)[C@@H](C)C1 ZINC000846011774 588253455 /nfs/dbraw/zinc/25/34/55/588253455.db2.gz ZBMNSWXDQFJBBN-UONOGXRCSA-N 2 2 249.402 2.390 20 30 BEEDLP CC[N@H+]1CC[C@@H]([NH2+]CC2(C#N)CCCC2)[C@@H](C)C1 ZINC000846011774 588253456 /nfs/dbraw/zinc/25/34/56/588253456.db2.gz ZBMNSWXDQFJBBN-UONOGXRCSA-N 2 2 249.402 2.390 20 30 BEEDLP C=CCOc1cccc(C[N@@H+](C)C[C@H](C)[NH3+])c1 ZINC000863654276 589308394 /nfs/dbraw/zinc/30/83/94/589308394.db2.gz VRLOXDYNJNTXKM-LBPRGKRZSA-N 2 2 234.343 2.030 20 30 BEEDLP C=CCOc1cccc(C[N@H+](C)C[C@H](C)[NH3+])c1 ZINC000863654276 589308396 /nfs/dbraw/zinc/30/83/96/589308396.db2.gz VRLOXDYNJNTXKM-LBPRGKRZSA-N 2 2 234.343 2.030 20 30 BEEDLP C#C[C@H]1CC[C@H]([NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)CC1 ZINC000872140251 589880931 /nfs/dbraw/zinc/88/09/31/589880931.db2.gz HIEZBQSRWKWRJU-KQTLUZQSSA-N 2 2 246.398 2.251 20 30 BEEDLP C#C[C@H]1CC[C@H]([NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC000872140251 589880932 /nfs/dbraw/zinc/88/09/32/589880932.db2.gz HIEZBQSRWKWRJU-KQTLUZQSSA-N 2 2 246.398 2.251 20 30 BEEDLP C#C[C@H]1CC[C@H]([NH2+]Cc2c[nH+]c3n2CCC3)CC1 ZINC000873198131 589992379 /nfs/dbraw/zinc/99/23/79/589992379.db2.gz RVPVLGATTGSVLG-JOCQHMNTSA-N 2 2 243.354 2.111 20 30 BEEDLP C#CCCCCCC[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000877020493 590269899 /nfs/dbraw/zinc/26/98/99/590269899.db2.gz VPMROBNGFYPFFC-CQSZACIVSA-N 2 2 234.387 2.396 20 30 BEEDLP C#CCCCCCC[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000877020493 590269900 /nfs/dbraw/zinc/26/99/00/590269900.db2.gz VPMROBNGFYPFFC-CQSZACIVSA-N 2 2 234.387 2.396 20 30 BEEDLP C#CCCCCCC[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000877020492 590270157 /nfs/dbraw/zinc/27/01/57/590270157.db2.gz VPMROBNGFYPFFC-AWEZNQCLSA-N 2 2 234.387 2.396 20 30 BEEDLP C#CCCCCCC[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000877020492 590270159 /nfs/dbraw/zinc/27/01/59/590270159.db2.gz VPMROBNGFYPFFC-AWEZNQCLSA-N 2 2 234.387 2.396 20 30 BEEDLP C#CCCCCCC[N@@H+]1CC[NH+]2CCC1CC2 ZINC000877526445 590347844 /nfs/dbraw/zinc/34/78/44/590347844.db2.gz ICEISSUWCXTFMS-UHFFFAOYSA-N 2 2 234.387 2.350 20 30 BEEDLP C#CCCCCCC[N@H+]1CC[NH+]2CCC1CC2 ZINC000877526445 590347846 /nfs/dbraw/zinc/34/78/46/590347846.db2.gz ICEISSUWCXTFMS-UHFFFAOYSA-N 2 2 234.387 2.350 20 30 BEEDLP C=CC[C@H](C)[N@H+](C)CCCn1cc[nH+]c1 ZINC000878319242 590543581 /nfs/dbraw/zinc/54/35/81/590543581.db2.gz NCMSCALXLDBBQA-LBPRGKRZSA-N 2 2 207.321 2.170 20 30 BEEDLP C=CC[C@H](C)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000878319242 590543583 /nfs/dbraw/zinc/54/35/83/590543583.db2.gz NCMSCALXLDBBQA-LBPRGKRZSA-N 2 2 207.321 2.170 20 30 BEEDLP C=CC[C@@H](C)[N@H+](C)CCCn1cc[nH+]c1 ZINC000878319241 590544084 /nfs/dbraw/zinc/54/40/84/590544084.db2.gz NCMSCALXLDBBQA-GFCCVEGCSA-N 2 2 207.321 2.170 20 30 BEEDLP C=CC[C@@H](C)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000878319241 590544087 /nfs/dbraw/zinc/54/40/87/590544087.db2.gz NCMSCALXLDBBQA-GFCCVEGCSA-N 2 2 207.321 2.170 20 30 BEEDLP C=C(Cl)C[NH2+][C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000129768010 591401918 /nfs/dbraw/zinc/40/19/18/591401918.db2.gz UHBYNHQEJBBFJR-MWLCHTKSSA-N 2 2 216.756 2.059 20 30 BEEDLP C=C(Cl)C[NH2+][C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000129768010 591401920 /nfs/dbraw/zinc/40/19/20/591401920.db2.gz UHBYNHQEJBBFJR-MWLCHTKSSA-N 2 2 216.756 2.059 20 30 BEEDLP C=CC[NH+]1CCC([NH2+]Cc2cc(C)co2)CC1 ZINC000885972719 592118811 /nfs/dbraw/zinc/11/88/11/592118811.db2.gz IZEGBHDWVKVQKH-UHFFFAOYSA-N 2 2 234.343 2.328 20 30 BEEDLP CC(C)C[N@@H+](CCC#N)CCCn1cc[nH+]c1 ZINC000043419729 638309738 /nfs/dbraw/zinc/30/97/38/638309738.db2.gz SNXFXEMINIDWAS-UHFFFAOYSA-N 2 2 234.347 2.145 20 30 BEEDLP CC(C)C[N@H+](CCC#N)CCCn1cc[nH+]c1 ZINC000043419729 638309751 /nfs/dbraw/zinc/30/97/51/638309751.db2.gz SNXFXEMINIDWAS-UHFFFAOYSA-N 2 2 234.347 2.145 20 30 BEEDLP CCC#C[C@H](C)[NH+]1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000931311398 640147459 /nfs/dbraw/zinc/14/74/59/640147459.db2.gz MWCRBLRGFPGSIH-RRFJBIMHSA-N 2 2 234.387 2.062 20 30 BEEDLP C=CC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000931719362 640333408 /nfs/dbraw/zinc/33/34/08/640333408.db2.gz LITQVCUCXMVEMO-UPJWGTAASA-N 2 2 208.349 2.120 20 30 BEEDLP C=CC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000931719362 640333413 /nfs/dbraw/zinc/33/34/13/640333413.db2.gz LITQVCUCXMVEMO-UPJWGTAASA-N 2 2 208.349 2.120 20 30 BEEDLP C=CC[C@@H](C)[NH+]1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000931719362 640333417 /nfs/dbraw/zinc/33/34/17/640333417.db2.gz LITQVCUCXMVEMO-UPJWGTAASA-N 2 2 208.349 2.120 20 30 BEEDLP C=CC[C@@H](C)[NH+]1[C@@H]2CC[C@H]1C[N@@H+](C)CC2 ZINC000931719362 640333422 /nfs/dbraw/zinc/33/34/22/640333422.db2.gz LITQVCUCXMVEMO-UPJWGTAASA-N 2 2 208.349 2.120 20 30 BEEDLP C=CC[C@@H]1CC[N@H+]1CCCc1c[nH+]cn1C ZINC000934458633 641153672 /nfs/dbraw/zinc/15/36/72/641153672.db2.gz BLSVQILVAQGCTJ-GFCCVEGCSA-N 2 2 219.332 2.003 20 30 BEEDLP C=CC[C@@H]1CC[N@@H+]1CCCc1c[nH+]cn1C ZINC000934458633 641153681 /nfs/dbraw/zinc/15/36/81/641153681.db2.gz BLSVQILVAQGCTJ-GFCCVEGCSA-N 2 2 219.332 2.003 20 30 BEEDLP C#CCC1([NH2+]CC[NH+]2CCC(C)CC2)CCC1 ZINC000933298618 642517746 /nfs/dbraw/zinc/51/77/46/642517746.db2.gz HVNGUTHNJIUBSK-UHFFFAOYSA-N 2 2 234.387 2.254 20 30 BEEDLP C[C@H]1C[C@@H]([NH2+]Cc2csc(C#N)c2)CC[N@@H+]1C ZINC000921778870 643783042 /nfs/dbraw/zinc/78/30/42/643783042.db2.gz AUSBFDSJFGMAAE-JQWIXIFHSA-N 2 2 249.383 2.192 20 30 BEEDLP C[C@H]1C[C@@H]([NH2+]Cc2csc(C#N)c2)CC[N@H+]1C ZINC000921778870 643783045 /nfs/dbraw/zinc/78/30/45/643783045.db2.gz AUSBFDSJFGMAAE-JQWIXIFHSA-N 2 2 249.383 2.192 20 30 BEEDLP C=CCCCCC[C@@H](C)[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000817984179 644994621 /nfs/dbraw/zinc/99/46/21/644994621.db2.gz VTLHVIDRXXSGSW-KGLIPLIRSA-N 2 2 240.391 2.089 20 30 BEEDLP C#CC[N@@H+](Cc1c[nH+]c(C)n1C)C1CCCCC1 ZINC000824632398 645056795 /nfs/dbraw/zinc/05/67/95/645056795.db2.gz HOLRAEHZLOKIRL-UHFFFAOYSA-N 2 2 245.370 2.496 20 30 BEEDLP C#CC[N@H+](Cc1c[nH+]c(C)n1C)C1CCCCC1 ZINC000824632398 645056799 /nfs/dbraw/zinc/05/67/99/645056799.db2.gz HOLRAEHZLOKIRL-UHFFFAOYSA-N 2 2 245.370 2.496 20 30 BEEDLP C=C(Cl)C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000852749327 645486941 /nfs/dbraw/zinc/48/69/41/645486941.db2.gz KOKHFCOKECRXMR-NWDGAFQWSA-N 2 2 228.767 2.203 20 30 BEEDLP C=C(Cl)C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000852749327 645486953 /nfs/dbraw/zinc/48/69/53/645486953.db2.gz KOKHFCOKECRXMR-NWDGAFQWSA-N 2 2 228.767 2.203 20 30 BEEDLP C#CCCC[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000925161096 646198173 /nfs/dbraw/zinc/19/81/73/646198173.db2.gz NJMHPVVXVOVYIU-ZIAGYGMSSA-N 2 2 220.360 2.006 20 30 BEEDLP C#CCCC[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000925161096 646198177 /nfs/dbraw/zinc/19/81/77/646198177.db2.gz NJMHPVVXVOVYIU-ZIAGYGMSSA-N 2 2 220.360 2.006 20 30 BEEDLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)CC(C)(C)C#N)C1 ZINC000925929214 646544452 /nfs/dbraw/zinc/54/44/52/646544452.db2.gz KPLYUFQQIKFXGF-YNEHKIRRSA-N 2 2 237.391 2.245 20 30 BEEDLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)CC(C)(C)C#N)C1 ZINC000925929214 646544455 /nfs/dbraw/zinc/54/44/55/646544455.db2.gz KPLYUFQQIKFXGF-YNEHKIRRSA-N 2 2 237.391 2.245 20 30 BEEDLP N#CCC1(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000926344240 646622057 /nfs/dbraw/zinc/62/20/57/646622057.db2.gz JPBAUFFDTUNFBY-KGLIPLIRSA-N 2 2 247.386 2.287 20 30 BEEDLP N#CCC1(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000926344240 646622058 /nfs/dbraw/zinc/62/20/58/646622058.db2.gz JPBAUFFDTUNFBY-KGLIPLIRSA-N 2 2 247.386 2.287 20 30 BEEDLP C=C(Cl)C[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000227737398 711832767 /nfs/dbraw/zinc/83/27/67/711832767.db2.gz MSAUEHGHDAWASR-SNVBAGLBSA-N 2 2 204.745 2.044 20 30 BEEDLP C=C(Cl)C[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000227737398 711832768 /nfs/dbraw/zinc/83/27/68/711832768.db2.gz MSAUEHGHDAWASR-SNVBAGLBSA-N 2 2 204.745 2.044 20 30 BEEDLP C[N@@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CCC(C)(C)C#N ZINC000720351732 712832592 /nfs/dbraw/zinc/83/25/92/712832592.db2.gz FMZYAVTYDLXHHZ-CHWSQXEVSA-N 2 2 235.375 2.095 20 30 BEEDLP C[N@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CCC(C)(C)C#N ZINC000720351732 712832594 /nfs/dbraw/zinc/83/25/94/712832594.db2.gz FMZYAVTYDLXHHZ-CHWSQXEVSA-N 2 2 235.375 2.095 20 30 BEEDLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@@H+]2CCC(C)(C)C#N ZINC000720351732 712832595 /nfs/dbraw/zinc/83/25/95/712832595.db2.gz FMZYAVTYDLXHHZ-CHWSQXEVSA-N 2 2 235.375 2.095 20 30 BEEDLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@H+]2CCC(C)(C)C#N ZINC000720351732 712832597 /nfs/dbraw/zinc/83/25/97/712832597.db2.gz FMZYAVTYDLXHHZ-CHWSQXEVSA-N 2 2 235.375 2.095 20 30 BEEDLP C[C@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1cccc(C#N)c1 ZINC000335498175 1166083309 /nfs/dbraw/zinc/08/33/09/1166083309.db2.gz FDTBUFFXQSPWDF-SWLSCSKDSA-N 2 2 243.354 2.351 20 30 BEEDLP C#C[C@](C)(CC)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC001256068764 970635501 /nfs/dbraw/zinc/63/55/01/970635501.db2.gz JQAMZLXLUMCXSO-CQSZACIVSA-N 2 2 220.360 2.005 20 30 BEEDLP C=CCCCCC[NH+]1CC2(C1)CC[N@@H+](C)C2 ZINC001276036147 1169064913 /nfs/dbraw/zinc/06/49/13/1169064913.db2.gz POCCRWQIHFCXQV-UHFFFAOYSA-N 2 2 222.376 2.370 20 30 BEEDLP C=CCCCCC[NH+]1CC2(C1)CC[N@H+](C)C2 ZINC001276036147 1169064925 /nfs/dbraw/zinc/06/49/25/1169064925.db2.gz POCCRWQIHFCXQV-UHFFFAOYSA-N 2 2 222.376 2.370 20 30 BEEDLP CC(C)[N@@H+]1CC[C@@H]([NH2+][C@@H](C)CCCC#N)C1 ZINC001172480434 974778718 /nfs/dbraw/zinc/77/87/18/974778718.db2.gz UFHUURSUNZIOLR-QWHCGFSZSA-N 2 2 223.364 2.141 20 30 BEEDLP CC(C)[N@H+]1CC[C@@H]([NH2+][C@@H](C)CCCC#N)C1 ZINC001172480434 974778723 /nfs/dbraw/zinc/77/87/23/974778723.db2.gz UFHUURSUNZIOLR-QWHCGFSZSA-N 2 2 223.364 2.141 20 30 BEEDLP C[C@H](CCCC#N)[NH2+]C[C@@H]1CCCC[N@@H+]1C ZINC001172480251 974778538 /nfs/dbraw/zinc/77/85/38/974778538.db2.gz NDJLKODMZDETQW-OLZOCXBDSA-N 2 2 223.364 2.143 20 30 BEEDLP C[C@H](CCCC#N)[NH2+]C[C@@H]1CCCC[N@H+]1C ZINC001172480251 974778542 /nfs/dbraw/zinc/77/85/42/974778542.db2.gz NDJLKODMZDETQW-OLZOCXBDSA-N 2 2 223.364 2.143 20 30 BEEDLP C[C@H](CCCC#N)[N@@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001246584641 972966971 /nfs/dbraw/zinc/96/69/71/972966971.db2.gz XWIWJDYDCJAWKK-CHWSQXEVSA-N 2 2 241.354 2.222 20 30 BEEDLP C[C@H](CCCC#N)[N@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001246584641 972966990 /nfs/dbraw/zinc/96/69/90/972966990.db2.gz XWIWJDYDCJAWKK-CHWSQXEVSA-N 2 2 241.354 2.222 20 30 BEEDLP CCCCCCC[C@H](C)[NH2+]C1(C[NH3+])COC1 ZINC001258038627 971563210 /nfs/dbraw/zinc/56/32/10/971563210.db2.gz AVNJCIARVKLXGC-LBPRGKRZSA-N 2 2 228.380 2.053 20 30 BEEDLP C=C(C)[C@@H]1CC=C(C[N@@H+]2CC[C@H]([NH3+])C2)CC1 ZINC001236167354 966282391 /nfs/dbraw/zinc/28/23/91/966282391.db2.gz BZVDCOIRJNIDGT-KGLIPLIRSA-N 2 2 220.360 2.322 20 30 BEEDLP C=C(C)[C@@H]1CC=C(C[N@H+]2CC[C@H]([NH3+])C2)CC1 ZINC001236167354 966282403 /nfs/dbraw/zinc/28/24/03/966282403.db2.gz BZVDCOIRJNIDGT-KGLIPLIRSA-N 2 2 220.360 2.322 20 30 BEEDLP CCc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H]1C[NH3+] ZINC001236252699 966321040 /nfs/dbraw/zinc/32/10/40/966321040.db2.gz OYVLGDROJXZGFC-OAHLLOKOSA-N 2 2 243.354 2.044 20 30 BEEDLP CCc1cc(C#N)ccc1C[N@H+]1CCC[C@@H]1C[NH3+] ZINC001236252699 966321056 /nfs/dbraw/zinc/32/10/56/966321056.db2.gz OYVLGDROJXZGFC-OAHLLOKOSA-N 2 2 243.354 2.044 20 30 BEEDLP CC[C@H](CC#N)[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000715561482 967184782 /nfs/dbraw/zinc/18/47/82/967184782.db2.gz LFNOFHPRGWRZIJ-AGIUHOORSA-N 2 2 223.364 2.141 20 30 BEEDLP N#Cc1ccc(C[N@H+]2CCC[C@H]([NH3+])CC2)c(F)c1 ZINC001205109473 967351986 /nfs/dbraw/zinc/35/19/86/967351986.db2.gz GSLMXHMJTROQAK-ZDUSSCGKSA-N 2 2 247.317 2.011 20 30 BEEDLP N#Cc1ccc(C[N@@H+]2CCC[C@H]([NH3+])CC2)c(F)c1 ZINC001205109473 967351995 /nfs/dbraw/zinc/35/19/95/967351995.db2.gz GSLMXHMJTROQAK-ZDUSSCGKSA-N 2 2 247.317 2.011 20 30 BEEDLP C=CCCCCCC[N@@H+](C)C[C@H]1C[NH2+]CCO1 ZINC001205376167 967598185 /nfs/dbraw/zinc/59/81/85/967598185.db2.gz CTSBWLDYZHNJAE-CQSZACIVSA-N 2 2 240.391 2.043 20 30 BEEDLP C=CCCCCCC[N@H+](C)C[C@H]1C[NH2+]CCO1 ZINC001205376167 967598207 /nfs/dbraw/zinc/59/82/07/967598207.db2.gz CTSBWLDYZHNJAE-CQSZACIVSA-N 2 2 240.391 2.043 20 30 BEEDLP C=CCCCCCC[N@@H+](C)C[C@@H]1C[NH2+]CCO1 ZINC001205376165 967599699 /nfs/dbraw/zinc/59/96/99/967599699.db2.gz CTSBWLDYZHNJAE-AWEZNQCLSA-N 2 2 240.391 2.043 20 30 BEEDLP C=CCCCCCC[N@H+](C)C[C@@H]1C[NH2+]CCO1 ZINC001205376165 967599715 /nfs/dbraw/zinc/59/97/15/967599715.db2.gz CTSBWLDYZHNJAE-AWEZNQCLSA-N 2 2 240.391 2.043 20 30 BEEDLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CC1(C#N)CCCC1)C2 ZINC001169078447 969394808 /nfs/dbraw/zinc/39/48/08/969394808.db2.gz FPIOAGHUZRQLQX-ZSOGYDGISA-N 2 2 247.386 2.285 20 30 BEEDLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CC1(C#N)CCCC1)C2 ZINC001169078447 969394814 /nfs/dbraw/zinc/39/48/14/969394814.db2.gz FPIOAGHUZRQLQX-ZSOGYDGISA-N 2 2 247.386 2.285 20 30 BEEDLP CC[NH+](CC)CC[C@@H](C)[NH2+]CC1(C#N)CCC1 ZINC001255940533 970568254 /nfs/dbraw/zinc/56/82/54/970568254.db2.gz CYQHSEDNFJXEMJ-CYBMUJFWSA-N 2 2 237.391 2.390 20 30 BEEDLP CC[C@@H](CC#N)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172104703 974364535 /nfs/dbraw/zinc/36/45/35/974364535.db2.gz CKLLSMIYDRCWTN-FQUUOJAGSA-N 2 2 235.375 2.284 20 30 BEEDLP CC[C@@H](CC#N)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172104703 974364541 /nfs/dbraw/zinc/36/45/41/974364541.db2.gz CKLLSMIYDRCWTN-FQUUOJAGSA-N 2 2 235.375 2.284 20 30 BEEDLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)CCCC#N ZINC001172475865 974772281 /nfs/dbraw/zinc/77/22/81/974772281.db2.gz DHSXAQDJOYIVAK-STQMWFEESA-N 2 2 223.364 2.143 20 30 BEEDLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)CCCC#N ZINC001172475865 974772288 /nfs/dbraw/zinc/77/22/88/974772288.db2.gz DHSXAQDJOYIVAK-STQMWFEESA-N 2 2 223.364 2.143 20 30 BEEDLP C[C@H](CCCC#N)[N@H+]1C[C@H]2[C@H](C1)CCC[NH+]2C ZINC001172508963 974862042 /nfs/dbraw/zinc/86/20/42/974862042.db2.gz ICFZVWWMURMNLZ-RDBSUJKOSA-N 2 2 235.375 2.095 20 30 BEEDLP C[C@H](CCCC#N)[N@@H+]1C[C@H]2[C@H](C1)CCC[NH+]2C ZINC001172508963 974862044 /nfs/dbraw/zinc/86/20/44/974862044.db2.gz ICFZVWWMURMNLZ-RDBSUJKOSA-N 2 2 235.375 2.095 20 30 BEEDLP C[C@H](CCCC#N)[NH+]1C[C@H]2[C@H](C1)CCC[N@@H+]2C ZINC001172508963 974862047 /nfs/dbraw/zinc/86/20/47/974862047.db2.gz ICFZVWWMURMNLZ-RDBSUJKOSA-N 2 2 235.375 2.095 20 30 BEEDLP C[C@H](CCCC#N)[NH+]1C[C@H]2[C@H](C1)CCC[N@H+]2C ZINC001172508963 974862049 /nfs/dbraw/zinc/86/20/49/974862049.db2.gz ICFZVWWMURMNLZ-RDBSUJKOSA-N 2 2 235.375 2.095 20 30 BEEDLP N#CCC1CCC([NH2+]CCCn2cc[nH+]c2)CC1 ZINC001173324429 975272420 /nfs/dbraw/zinc/27/24/20/975272420.db2.gz NFGXDWJEZQNXTO-UHFFFAOYSA-N 2 2 246.358 2.335 20 30 BEEDLP C#Cc1ccc(C[N@@H+](C)[C@@]2(C)CCC[NH2+]C2)cc1 ZINC001236207456 979449903 /nfs/dbraw/zinc/44/99/03/979449903.db2.gz QBWZKOSCIFGPQV-INIZCTEOSA-N 2 2 242.366 2.242 20 30 BEEDLP C#Cc1ccc(C[N@H+](C)[C@@]2(C)CCC[NH2+]C2)cc1 ZINC001236207456 979449905 /nfs/dbraw/zinc/44/99/05/979449905.db2.gz QBWZKOSCIFGPQV-INIZCTEOSA-N 2 2 242.366 2.242 20 30 BEEDLP C#Cc1cccc(C[N@@H+](C)[C@@]2(C)CCC[NH2+]C2)c1 ZINC001236207012 979450578 /nfs/dbraw/zinc/45/05/78/979450578.db2.gz MXYNZAFVOJQRCH-INIZCTEOSA-N 2 2 242.366 2.242 20 30 BEEDLP C#Cc1cccc(C[N@H+](C)[C@@]2(C)CCC[NH2+]C2)c1 ZINC001236207012 979450584 /nfs/dbraw/zinc/45/05/84/979450584.db2.gz MXYNZAFVOJQRCH-INIZCTEOSA-N 2 2 242.366 2.242 20 30 BEEDLP C#Cc1ccc(C[N@@H+](CCC)[C@@H]2CC[NH2+]C2)cc1 ZINC001236323027 979535940 /nfs/dbraw/zinc/53/59/40/979535940.db2.gz BOJXFEWJVNILSQ-MRXNPFEDSA-N 2 2 242.366 2.242 20 30 BEEDLP C#Cc1ccc(C[N@H+](CCC)[C@@H]2CC[NH2+]C2)cc1 ZINC001236323027 979535949 /nfs/dbraw/zinc/53/59/49/979535949.db2.gz BOJXFEWJVNILSQ-MRXNPFEDSA-N 2 2 242.366 2.242 20 30 BEEDLP CCCCCCCCC[N@@H+]1C[C@@H]([NH3+])C[C@@H]1CO ZINC001236424873 979596120 /nfs/dbraw/zinc/59/61/20/979596120.db2.gz YJIPURNBIKIFMP-UONOGXRCSA-N 2 2 242.407 2.131 20 30 BEEDLP CCCCCCCCC[N@H+]1C[C@@H]([NH3+])C[C@@H]1CO ZINC001236424873 979596128 /nfs/dbraw/zinc/59/61/28/979596128.db2.gz YJIPURNBIKIFMP-UONOGXRCSA-N 2 2 242.407 2.131 20 30 BEEDLP CCC#C[C@H](C)[NH+]1CCC([NH2+]C(C)C)CC1 ZINC001459756028 985601013 /nfs/dbraw/zinc/60/10/13/985601013.db2.gz ZOPFFYDAJBHXNQ-ZDUSSCGKSA-N 2 2 222.376 2.251 20 30 BEEDLP N#Cc1cccc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])c1F ZINC001580076251 986515537 /nfs/dbraw/zinc/51/55/37/986515537.db2.gz SNECJFJJRPXVLG-CHWSQXEVSA-N 2 2 247.317 2.057 20 30 BEEDLP CCC[N@H+](CCC#N)[C@H]1CCC[NH+](C)CC1 ZINC001254523634 986666675 /nfs/dbraw/zinc/66/66/75/986666675.db2.gz QKOIWJRZSXCDIA-ZDUSSCGKSA-N 2 2 223.364 2.096 20 30 BEEDLP CCC[N@@H+](CCC#N)[C@H]1CCC[NH+](C)CC1 ZINC001254523634 986666683 /nfs/dbraw/zinc/66/66/83/986666683.db2.gz QKOIWJRZSXCDIA-ZDUSSCGKSA-N 2 2 223.364 2.096 20 30 BEEDLP CCC[NH+](CCC#N)[C@H]1CCC[N@H+](C)CC1 ZINC001254523634 986666688 /nfs/dbraw/zinc/66/66/88/986666688.db2.gz QKOIWJRZSXCDIA-ZDUSSCGKSA-N 2 2 223.364 2.096 20 30 BEEDLP CCC[NH+](CCC#N)[C@H]1CCC[N@@H+](C)CC1 ZINC001254523634 986666693 /nfs/dbraw/zinc/66/66/93/986666693.db2.gz QKOIWJRZSXCDIA-ZDUSSCGKSA-N 2 2 223.364 2.096 20 30 BEEDLP CC(C)(C)C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H](C#N)C2)C1 ZINC001254647273 986700744 /nfs/dbraw/zinc/70/07/44/986700744.db2.gz BSAWXQOXKXGCNZ-MCIONIFRSA-N 2 2 249.402 2.389 20 30 BEEDLP CC(C)(C)C[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H](C#N)C2)C1 ZINC001254647273 986700753 /nfs/dbraw/zinc/70/07/53/986700753.db2.gz BSAWXQOXKXGCNZ-MCIONIFRSA-N 2 2 249.402 2.389 20 30 BEEDLP N#CCC1([NH2+]C2CC[NH+](C3CC3)CC2)CCCC1 ZINC001256073191 987127476 /nfs/dbraw/zinc/12/74/76/987127476.db2.gz OFYYDOKSBQLLQJ-UHFFFAOYSA-N 2 2 247.386 2.429 20 30 BEEDLP C=CCCCCCC[C@H](O)C[NH2+]CC[NH2+]CC ZINC001245996584 987280487 /nfs/dbraw/zinc/28/04/87/987280487.db2.gz VVJIOLTXFVBNPI-AWEZNQCLSA-N 2 2 242.407 2.073 20 30 BEEDLP CCCCCCC[C@@H](CC)[NH2+][C@@H]1COC[C@@H]1[NH3+] ZINC001246121164 987467923 /nfs/dbraw/zinc/46/79/23/987467923.db2.gz KGIJCPDZMXXADD-HZSPNIEDSA-N 2 2 242.407 2.441 20 30 BEEDLP N#CC1CCC([NH2+][C@H](C[NH3+])c2ccccc2)CC1 ZINC001246508180 987863123 /nfs/dbraw/zinc/86/31/23/987863123.db2.gz QWBCFJWQENWZTM-PESDSKBTSA-N 2 2 243.354 2.358 20 30 BEEDLP CCCCCCC[C@H](CC)[N@@H+]1C[C@@H]([NH3+])[C@H](O)C1 ZINC001246559189 987981662 /nfs/dbraw/zinc/98/16/62/987981662.db2.gz SKLMTLCGGDMDHU-BFHYXJOUSA-N 2 2 242.407 2.129 20 30 BEEDLP CCCCCCC[C@H](CC)[N@H+]1C[C@@H]([NH3+])[C@H](O)C1 ZINC001246559189 987981677 /nfs/dbraw/zinc/98/16/77/987981677.db2.gz SKLMTLCGGDMDHU-BFHYXJOUSA-N 2 2 242.407 2.129 20 30 BEEDLP C=CCC[C@@H](C)[NH2+]CCOc1cc[nH+]cc1 ZINC001258725194 991664533 /nfs/dbraw/zinc/66/45/33/991664533.db2.gz HJCIEFAEEBLORL-GFCCVEGCSA-N 2 2 220.316 2.405 20 30 BEEDLP C=CCC[C@H](C)[N@H+](C)C1CC[NH+](C)CC1 ZINC001258726231 991666038 /nfs/dbraw/zinc/66/60/38/991666038.db2.gz RRSRHNKVOAFUCE-LBPRGKRZSA-N 2 2 210.365 2.367 20 30 BEEDLP C=CCC[C@H](C)[N@@H+](C)C1CC[NH+](C)CC1 ZINC001258726231 991666043 /nfs/dbraw/zinc/66/60/43/991666043.db2.gz RRSRHNKVOAFUCE-LBPRGKRZSA-N 2 2 210.365 2.367 20 30 BEEDLP CN(C)c1cc[nH+]cc1C=[NH+]OC(C)(C)C ZINC001320649734 992295621 /nfs/dbraw/zinc/29/56/21/992295621.db2.gz SOSNVMXRAHDJGS-UHFFFAOYSA-N 2 2 221.304 2.297 20 30 BEEDLP C=CC[N@H+](Cc1cccs1)C[C@]12C[C@H]1C[NH2+]C2 ZINC001574933550 992946160 /nfs/dbraw/zinc/94/61/60/992946160.db2.gz WJMRKAKAQWRWBU-GXTWGEPZSA-N 2 2 248.395 2.346 20 30 BEEDLP C=CC[N@@H+](Cc1cccs1)C[C@]12C[C@H]1C[NH2+]C2 ZINC001574933550 992946173 /nfs/dbraw/zinc/94/61/73/992946173.db2.gz WJMRKAKAQWRWBU-GXTWGEPZSA-N 2 2 248.395 2.346 20 30 BEEDLP C=C(C[NH2+][C@H]1C[NH2+]CC[C@H]1C)c1ccccc1 ZINC000423021746 398162397 /nfs/dbraw/zinc/16/23/97/398162397.db2.gz CSTJHYGHNFMPNL-DOMZBBRYSA-N 2 2 230.355 2.287 20 30 BEEDLP C=CC[NH+]1CCC([NH2+][C@H](C)[C@@H]2C[C@@H]2C)CC1 ZINC000414129844 398218081 /nfs/dbraw/zinc/21/80/81/398218081.db2.gz VNKJUODKGBBVTM-OUCADQQQSA-N 2 2 222.376 2.271 20 30 BEEDLP C=CC[N@@H+](Cc1ccc(OC)cc1)C[C@H](C)[NH3+] ZINC000442659978 398243300 /nfs/dbraw/zinc/24/33/00/398243300.db2.gz CIODJNVKKNGDRM-LBPRGKRZSA-N 2 2 234.343 2.030 20 30 BEEDLP C=CC[N@H+](Cc1ccc(OC)cc1)C[C@H](C)[NH3+] ZINC000442659978 398243302 /nfs/dbraw/zinc/24/33/02/398243302.db2.gz CIODJNVKKNGDRM-LBPRGKRZSA-N 2 2 234.343 2.030 20 30 BEEDLP CC[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H](C)CCC#N ZINC000602506565 349582770 /nfs/dbraw/zinc/58/27/70/349582770.db2.gz DIUQECGNYHKALQ-STQMWFEESA-N 2 2 223.364 2.000 20 30 BEEDLP CC[N@H+]1CCC[C@H]1C[NH2+]C[C@@H](C)CCC#N ZINC000602506565 349582773 /nfs/dbraw/zinc/58/27/73/349582773.db2.gz DIUQECGNYHKALQ-STQMWFEESA-N 2 2 223.364 2.000 20 30 BEEDLP C[C@@H](CCC#N)C[NH2+][C@@H](C)C[NH+]1CCCCC1 ZINC000602508630 349584534 /nfs/dbraw/zinc/58/45/34/349584534.db2.gz OJXXXLYOGUKCBN-KBPBESRZSA-N 2 2 237.391 2.390 20 30 BEEDLP CC(C)C[C@H](C[NH2+]C[C@H](C)CCC#N)[NH+](C)C ZINC000602511277 349585104 /nfs/dbraw/zinc/58/51/04/349585104.db2.gz NVYSIBLAEGWNCD-ZIAGYGMSSA-N 2 2 239.407 2.492 20 30 BEEDLP CC[N@@H+]1CCCC[C@H]1C[NH2+]C[C@@H](C)CCC#N ZINC000602546327 349589424 /nfs/dbraw/zinc/58/94/24/349589424.db2.gz KGLRLOAICZGCPC-KBPBESRZSA-N 2 2 237.391 2.390 20 30 BEEDLP CC[N@H+]1CCCC[C@H]1C[NH2+]C[C@@H](C)CCC#N ZINC000602546327 349589427 /nfs/dbraw/zinc/58/94/27/349589427.db2.gz KGLRLOAICZGCPC-KBPBESRZSA-N 2 2 237.391 2.390 20 30 BEEDLP C[C@H](CCC#N)C[NH2+]CCCNc1cccc[nH+]1 ZINC000602587498 349612858 /nfs/dbraw/zinc/61/28/58/349612858.db2.gz IJMPAXFLJNDNSZ-CYBMUJFWSA-N 2 2 246.358 2.413 20 30 BEEDLP C=CCC[C@@H](CC)[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000379974299 538983457 /nfs/dbraw/zinc/98/34/57/538983457.db2.gz CSKBHAAFNMUIFU-OLZOCXBDSA-N 2 2 210.365 2.415 20 30 BEEDLP C=CCC[C@@H](CC)[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000379974299 538983458 /nfs/dbraw/zinc/98/34/58/538983458.db2.gz CSKBHAAFNMUIFU-OLZOCXBDSA-N 2 2 210.365 2.415 20 30 BEEDLP C[C@H](CCC#N)C[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000602704983 349698966 /nfs/dbraw/zinc/69/89/66/349698966.db2.gz IYJFTHGEPGELBO-CHWSQXEVSA-N 2 2 237.391 2.389 20 30 BEEDLP C[C@H](CCC#N)C[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000602704983 349698969 /nfs/dbraw/zinc/69/89/69/349698969.db2.gz IYJFTHGEPGELBO-CHWSQXEVSA-N 2 2 237.391 2.389 20 30 BEEDLP N#CCC1(C[NH+]2CCC(n3cc[nH+]c3)CC2)CC1 ZINC000602777391 349743804 /nfs/dbraw/zinc/74/38/04/349743804.db2.gz DRYNZLZWFLRJOT-UHFFFAOYSA-N 2 2 244.342 2.214 20 30 BEEDLP C[C@H]1C[C@@H]([NH+](C)CC2(CC#N)CC2)CC[N@@H+]1C ZINC000602778554 349744786 /nfs/dbraw/zinc/74/47/86/349744786.db2.gz LZOLYQDAXUHFHG-STQMWFEESA-N 2 2 235.375 2.095 20 30 BEEDLP C[C@H]1C[C@@H]([NH+](C)CC2(CC#N)CC2)CC[N@H+]1C ZINC000602778554 349744789 /nfs/dbraw/zinc/74/47/89/349744789.db2.gz LZOLYQDAXUHFHG-STQMWFEESA-N 2 2 235.375 2.095 20 30 BEEDLP C[C@H]1C[C@@H]([N@H+](C)CC2(CC#N)CC2)CC[NH+]1C ZINC000602778554 349744790 /nfs/dbraw/zinc/74/47/90/349744790.db2.gz LZOLYQDAXUHFHG-STQMWFEESA-N 2 2 235.375 2.095 20 30 BEEDLP C[C@H]1C[C@@H]([N@@H+](C)CC2(CC#N)CC2)CC[NH+]1C ZINC000602778554 349744793 /nfs/dbraw/zinc/74/47/93/349744793.db2.gz LZOLYQDAXUHFHG-STQMWFEESA-N 2 2 235.375 2.095 20 30 BEEDLP CC[NH+](C/C=C\C[N@H+](CC)CCC#N)CCC#N ZINC000205128842 343119821 /nfs/dbraw/zinc/11/98/21/343119821.db2.gz YPJKJFXUHJWGEQ-WAYWQWQTSA-N 2 2 248.374 2.014 20 30 BEEDLP CC[NH+](C/C=C\C[N@@H+](CC)CCC#N)CCC#N ZINC000205128842 343119823 /nfs/dbraw/zinc/11/98/23/343119823.db2.gz YPJKJFXUHJWGEQ-WAYWQWQTSA-N 2 2 248.374 2.014 20 30 BEEDLP C=CCC[C@H]([NH2+]C[C@@H](C)[NH+](C)C)C1CC1 ZINC000125320436 136271464 /nfs/dbraw/zinc/27/14/64/136271464.db2.gz NKVIEMSTHUGOFH-YPMHNXCESA-N 2 2 210.365 2.271 20 30 BEEDLP C=CCC[C@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)C1CC1 ZINC000390576661 537797875 /nfs/dbraw/zinc/79/78/75/537797875.db2.gz WCHKUYLIDNWZAT-KGLIPLIRSA-N 2 2 222.376 2.415 20 30 BEEDLP C=CCC[C@H]([NH2+][C@@H]1CCC[N@H+](C)C1)C1CC1 ZINC000390576661 537797882 /nfs/dbraw/zinc/79/78/82/537797882.db2.gz WCHKUYLIDNWZAT-KGLIPLIRSA-N 2 2 222.376 2.415 20 30 BEEDLP C=CC[NH+]1CCC([NH2+][C@H]2CC[C@H]2C2CC2)CC1 ZINC000348104952 537838388 /nfs/dbraw/zinc/83/83/88/537838388.db2.gz FJIGHEKYINQZIN-GJZGRUSLSA-N 2 2 234.387 2.415 20 30 BEEDLP C[C@@H]1CCC[N@H+](Cc2cccc(C#N)c2)[C@H]1C[NH3+] ZINC000251593336 344081240 /nfs/dbraw/zinc/08/12/40/344081240.db2.gz BKPYQIPAIATIKN-DOMZBBRYSA-N 2 2 243.354 2.117 20 30 BEEDLP C[C@@H]1CCC[N@@H+](Cc2cccc(C#N)c2)[C@H]1C[NH3+] ZINC000251593336 344081243 /nfs/dbraw/zinc/08/12/43/344081243.db2.gz BKPYQIPAIATIKN-DOMZBBRYSA-N 2 2 243.354 2.117 20 30 BEEDLP C=C(CC)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000678623554 488272919 /nfs/dbraw/zinc/27/29/19/488272919.db2.gz KNNGPJBXGIIKBP-CYBMUJFWSA-N 2 2 219.332 2.486 20 30 BEEDLP C=C(CC)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000678623554 488272921 /nfs/dbraw/zinc/27/29/21/488272921.db2.gz KNNGPJBXGIIKBP-CYBMUJFWSA-N 2 2 219.332 2.486 20 30 BEEDLP C[C@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1ccc(C#N)cc1 ZINC000235510143 344927508 /nfs/dbraw/zinc/92/75/08/344927508.db2.gz ZCNJKIYPGNRKOO-SWLSCSKDSA-N 2 2 243.354 2.351 20 30 BEEDLP CC1(C#N)CCC([NH2+]CCCn2cc[nH+]c2)CC1 ZINC000449065942 201801083 /nfs/dbraw/zinc/80/10/83/201801083.db2.gz XRNSBYOVBZDYIU-UHFFFAOYSA-N 2 2 246.358 2.335 20 30 BEEDLP CC#CCC[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000158333314 345321865 /nfs/dbraw/zinc/32/18/65/345321865.db2.gz DVPAHMKCXAPSSL-UHFFFAOYSA-N 2 2 243.354 2.053 20 30 BEEDLP CC(C)(CCC#N)C[N@@H+]1CC[NH+]2CCC1CC2 ZINC000368045309 534995395 /nfs/dbraw/zinc/99/53/95/534995395.db2.gz VMGLTZRRPHYBLP-UHFFFAOYSA-N 2 2 235.375 2.096 20 30 BEEDLP CC(C)(CCC#N)C[N@H+]1CC[NH+]2CCC1CC2 ZINC000368045309 534995398 /nfs/dbraw/zinc/99/53/98/534995398.db2.gz VMGLTZRRPHYBLP-UHFFFAOYSA-N 2 2 235.375 2.096 20 30 BEEDLP CC(C)(CCC#N)C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000368081298 535007045 /nfs/dbraw/zinc/00/70/45/535007045.db2.gz LNNUIDNTIIFLJD-NSHDSACASA-N 2 2 246.358 2.187 20 30 BEEDLP CC(C)(CCC#N)C[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000368081298 535007049 /nfs/dbraw/zinc/00/70/49/535007049.db2.gz LNNUIDNTIIFLJD-NSHDSACASA-N 2 2 246.358 2.187 20 30 BEEDLP C#CC[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000364066338 347253948 /nfs/dbraw/zinc/25/39/48/347253948.db2.gz OJGGVQQBWRKKQU-GJZGRUSLSA-N 2 2 234.387 2.206 20 30 BEEDLP C#CC[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000364066338 347253950 /nfs/dbraw/zinc/25/39/50/347253950.db2.gz OJGGVQQBWRKKQU-GJZGRUSLSA-N 2 2 234.387 2.206 20 30 BEEDLP C#CC[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000364066338 347253954 /nfs/dbraw/zinc/25/39/54/347253954.db2.gz OJGGVQQBWRKKQU-GJZGRUSLSA-N 2 2 234.387 2.206 20 30 BEEDLP C#CC[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000364066338 347253957 /nfs/dbraw/zinc/25/39/57/347253957.db2.gz OJGGVQQBWRKKQU-GJZGRUSLSA-N 2 2 234.387 2.206 20 30 BEEDLP C#CC[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000364066327 347254523 /nfs/dbraw/zinc/25/45/23/347254523.db2.gz OJGGVQQBWRKKQU-CABCVRRESA-N 2 2 234.387 2.206 20 30 BEEDLP C#CC[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000364066327 347254525 /nfs/dbraw/zinc/25/45/25/347254525.db2.gz OJGGVQQBWRKKQU-CABCVRRESA-N 2 2 234.387 2.206 20 30 BEEDLP C#CC[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000364066327 347254528 /nfs/dbraw/zinc/25/45/28/347254528.db2.gz OJGGVQQBWRKKQU-CABCVRRESA-N 2 2 234.387 2.206 20 30 BEEDLP C#CC[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000364066327 347254531 /nfs/dbraw/zinc/25/45/31/347254531.db2.gz OJGGVQQBWRKKQU-CABCVRRESA-N 2 2 234.387 2.206 20 30 BEEDLP C=CCCC[N@H+]1C[C@@H]([NH3+])[C@@H](c2ccccc2)C1 ZINC000302323709 347516728 /nfs/dbraw/zinc/51/67/28/347516728.db2.gz FFSDORSFURIWCT-HUUCEWRRSA-N 2 2 230.355 2.379 20 30 BEEDLP C=CCCC[N@@H+]1C[C@@H]([NH3+])[C@@H](c2ccccc2)C1 ZINC000302323709 347516732 /nfs/dbraw/zinc/51/67/32/347516732.db2.gz FFSDORSFURIWCT-HUUCEWRRSA-N 2 2 230.355 2.379 20 30 BEEDLP N#CC[C@@H]1CC[C@H]([NH2+]Cc2c[nH+]c3n2CCC3)C1 ZINC000594952243 348148003 /nfs/dbraw/zinc/14/80/03/348148003.db2.gz DWGIECBUAFLKJF-RYUDHWBXSA-N 2 2 244.342 2.001 20 30 BEEDLP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1ccccc1C#N ZINC000598679907 349021723 /nfs/dbraw/zinc/02/17/23/349021723.db2.gz QHIUIDXEUNUQGN-AWEZNQCLSA-N 2 2 243.354 2.036 20 30 BEEDLP C=CCC[N@@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000250519007 349175095 /nfs/dbraw/zinc/17/50/95/349175095.db2.gz JVSNEWOIQGOUIK-CHWSQXEVSA-N 2 2 208.349 2.169 20 30 BEEDLP C=CCC[N@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000250519007 349175097 /nfs/dbraw/zinc/17/50/97/349175097.db2.gz JVSNEWOIQGOUIK-CHWSQXEVSA-N 2 2 208.349 2.169 20 30 BEEDLP C=CCC[NH+]1CCN(c2c[nH+]ccc2C)CC1 ZINC000338544001 350693437 /nfs/dbraw/zinc/69/34/37/350693437.db2.gz ULZZSKDDMGYOCN-UHFFFAOYSA-N 2 2 231.343 2.088 20 30 BEEDLP C=CCCCC[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000336780938 191130523 /nfs/dbraw/zinc/13/05/23/191130523.db2.gz SPUWWOHIVURWHS-GXTWGEPZSA-N 2 2 222.376 2.415 20 30 BEEDLP C=CCCCC[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000336780938 191130526 /nfs/dbraw/zinc/13/05/26/191130526.db2.gz SPUWWOHIVURWHS-GXTWGEPZSA-N 2 2 222.376 2.415 20 30 BEEDLP N#C[C@@H]1CC[C@H]([NH+]2CCC(n3cc[nH+]c3)CC2)C1 ZINC000278695291 351777176 /nfs/dbraw/zinc/77/71/76/351777176.db2.gz SMWYXFVUWUDKNZ-OCCSQVGLSA-N 2 2 244.342 2.212 20 30 BEEDLP N#C[C@@H]1CC[C@H]([NH+]2CCC(c3[nH]cc[nH+]3)CC2)C1 ZINC000278778044 351783527 /nfs/dbraw/zinc/78/35/27/351783527.db2.gz ZENPKMPNXMFAJB-YPMHNXCESA-N 2 2 244.342 2.281 20 30 BEEDLP C[C@@H]([NH2+]CCC#N)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411519129 191191371 /nfs/dbraw/zinc/19/13/71/191191371.db2.gz REPVMDJTWICKMB-OLZOCXBDSA-N 2 2 235.375 2.143 20 30 BEEDLP C[C@@H]([NH2+]CCC#N)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000411519129 191191373 /nfs/dbraw/zinc/19/13/73/191191373.db2.gz REPVMDJTWICKMB-OLZOCXBDSA-N 2 2 235.375 2.143 20 30 BEEDLP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]CCC#N ZINC000411556132 191193781 /nfs/dbraw/zinc/19/37/81/191193781.db2.gz XLAUNLORBDXCIJ-ZIAGYGMSSA-N 2 2 237.391 2.390 20 30 BEEDLP C=C(C)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080958983 353395107 /nfs/dbraw/zinc/39/51/07/353395107.db2.gz LWACMMJGIGKQQU-NSHDSACASA-N 2 2 205.305 2.165 20 30 BEEDLP C=C(C)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080958983 353395110 /nfs/dbraw/zinc/39/51/10/353395110.db2.gz LWACMMJGIGKQQU-NSHDSACASA-N 2 2 205.305 2.165 20 30 BEEDLP C#CCC[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000285625966 353537566 /nfs/dbraw/zinc/53/75/66/353537566.db2.gz LCARQXADIGOHHA-UHFFFAOYSA-N 2 2 234.343 2.057 20 30 BEEDLP C#CCC[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000285625966 353537567 /nfs/dbraw/zinc/53/75/67/353537567.db2.gz LCARQXADIGOHHA-UHFFFAOYSA-N 2 2 234.343 2.057 20 30 BEEDLP C#CCC[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000285625966 353537568 /nfs/dbraw/zinc/53/75/68/353537568.db2.gz LCARQXADIGOHHA-UHFFFAOYSA-N 2 2 234.343 2.057 20 30 BEEDLP C#CCC[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000285625966 353537569 /nfs/dbraw/zinc/53/75/69/353537569.db2.gz LCARQXADIGOHHA-UHFFFAOYSA-N 2 2 234.343 2.057 20 30 BEEDLP C#CCCC[NH2+][C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000289398461 353627643 /nfs/dbraw/zinc/62/76/43/353627643.db2.gz NPDYZPPMRSVVAH-HOTGVXAUSA-N 2 2 242.366 2.435 20 30 BEEDLP C#CCCC[NH2+][C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000289398461 353627646 /nfs/dbraw/zinc/62/76/46/353627646.db2.gz NPDYZPPMRSVVAH-HOTGVXAUSA-N 2 2 242.366 2.435 20 30 BEEDLP C#C[C@H]([NH2+]Cc1c[nH+]c2ccc(C)cn12)C(C)C ZINC000289619264 353633189 /nfs/dbraw/zinc/63/31/89/353633189.db2.gz WGKHTHDIPMEEIB-AWEZNQCLSA-N 2 2 241.338 2.390 20 30 BEEDLP N#CC1(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)CC1 ZINC000343316357 353654532 /nfs/dbraw/zinc/65/45/32/353654532.db2.gz SAUORSHVMOOXCY-CQSZACIVSA-N 2 2 247.386 2.098 20 30 BEEDLP N#CC1(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)CC1 ZINC000343316357 353654534 /nfs/dbraw/zinc/65/45/34/353654534.db2.gz SAUORSHVMOOXCY-CQSZACIVSA-N 2 2 247.386 2.098 20 30 BEEDLP C=CCC[N@@H+]1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000420392134 192236004 /nfs/dbraw/zinc/23/60/04/192236004.db2.gz UIJOTKLQOOEFNF-GXTWGEPZSA-N 2 2 234.318 2.128 20 30 BEEDLP C=CCC[N@H+]1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000420392134 192236006 /nfs/dbraw/zinc/23/60/06/192236006.db2.gz UIJOTKLQOOEFNF-GXTWGEPZSA-N 2 2 234.318 2.128 20 30 BEEDLP CC(C)(CCC#N)C[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000610270906 357404590 /nfs/dbraw/zinc/40/45/90/357404590.db2.gz GNJHZPFSPYDRMB-CQSZACIVSA-N 2 2 249.402 2.390 20 30 BEEDLP CC(C)(CCC#N)C[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000610270906 357404591 /nfs/dbraw/zinc/40/45/91/357404591.db2.gz GNJHZPFSPYDRMB-CQSZACIVSA-N 2 2 249.402 2.390 20 30 BEEDLP C=CC[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000639982785 358026584 /nfs/dbraw/zinc/02/65/84/358026584.db2.gz IIECVSUHWKYQTR-UHFFFAOYSA-N 2 2 208.349 2.123 20 30 BEEDLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@@](C)(C#N)C1 ZINC000612163672 359715670 /nfs/dbraw/zinc/71/56/70/359715670.db2.gz YWIMABPWRHBUER-CABCVRRESA-N 2 2 249.402 2.486 20 30 BEEDLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@@](C)(C#N)C1 ZINC000612163672 359715674 /nfs/dbraw/zinc/71/56/74/359715674.db2.gz YWIMABPWRHBUER-CABCVRRESA-N 2 2 249.402 2.486 20 30 BEEDLP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612163672 359715678 /nfs/dbraw/zinc/71/56/78/359715678.db2.gz YWIMABPWRHBUER-CABCVRRESA-N 2 2 249.402 2.486 20 30 BEEDLP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612163672 359715683 /nfs/dbraw/zinc/71/56/83/359715683.db2.gz YWIMABPWRHBUER-CABCVRRESA-N 2 2 249.402 2.486 20 30 BEEDLP C[C@@H]([NH2+][C@H]1CCC[N@H+](C)C1)c1ccc(C#N)cc1 ZINC000040671886 359756864 /nfs/dbraw/zinc/75/68/64/359756864.db2.gz AQLOWLIASOOMMM-DOMZBBRYSA-N 2 2 243.354 2.303 20 30 BEEDLP C[C@@H]([NH2+][C@H]1CCC[N@@H+](C)C1)c1ccc(C#N)cc1 ZINC000040671886 359756866 /nfs/dbraw/zinc/75/68/66/359756866.db2.gz AQLOWLIASOOMMM-DOMZBBRYSA-N 2 2 243.354 2.303 20 30 BEEDLP CC(C)(C#N)C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000612588063 359900070 /nfs/dbraw/zinc/90/00/70/359900070.db2.gz OWUYZOBJBJQJBT-UHFFFAOYSA-N 2 2 237.391 2.389 20 30 BEEDLP CC[NH2+]CCC[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000573474098 364843207 /nfs/dbraw/zinc/84/32/07/364843207.db2.gz HLYYJANZJQLDCV-LLVKDONJSA-N 2 2 249.333 2.348 20 30 BEEDLP Cc1cc(C[NH2+]CC[NH+]2CCCC2)ccc1C#N ZINC000443965384 193032286 /nfs/dbraw/zinc/03/22/86/193032286.db2.gz RQIFRWYQBIDHFW-UHFFFAOYSA-N 2 2 243.354 2.052 20 30 BEEDLP C=CCC(C)(C)C[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000339418242 365460779 /nfs/dbraw/zinc/46/07/79/365460779.db2.gz ZECVMVGLFAFOBK-VXGBXAGGSA-N 2 2 210.365 2.128 20 30 BEEDLP C=CCC(C)(C)C[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000339418242 365460783 /nfs/dbraw/zinc/46/07/83/365460783.db2.gz ZECVMVGLFAFOBK-VXGBXAGGSA-N 2 2 210.365 2.128 20 30 BEEDLP C[C@@H](CC#N)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000068616969 370823237 /nfs/dbraw/zinc/82/32/37/370823237.db2.gz FZZUVNIVWLCIFF-LBPRGKRZSA-N 2 2 240.310 2.264 20 30 BEEDLP C=C[C@@H]1CCCC[N@H+]1CCc1c[nH+]cn1C ZINC000459437679 203280478 /nfs/dbraw/zinc/28/04/78/203280478.db2.gz ZRTIRDIQFWSAGW-GFCCVEGCSA-N 2 2 219.332 2.003 20 30 BEEDLP C=C[C@@H]1CCCC[N@@H+]1CCc1c[nH+]cn1C ZINC000459437679 203280480 /nfs/dbraw/zinc/28/04/80/203280480.db2.gz ZRTIRDIQFWSAGW-GFCCVEGCSA-N 2 2 219.332 2.003 20 30 BEEDLP C=C[C@H]1CCCC[N@H+]1CCc1c[nH+]cn1C ZINC000459437680 203280807 /nfs/dbraw/zinc/28/08/07/203280807.db2.gz ZRTIRDIQFWSAGW-LBPRGKRZSA-N 2 2 219.332 2.003 20 30 BEEDLP C=C[C@H]1CCCC[N@@H+]1CCc1c[nH+]cn1C ZINC000459437680 203280810 /nfs/dbraw/zinc/28/08/10/203280810.db2.gz ZRTIRDIQFWSAGW-LBPRGKRZSA-N 2 2 219.332 2.003 20 30 BEEDLP C[C@H]1C[C@@H]([NH2+]CC2(C#N)CCCC2)CC[N@@H+]1C ZINC000405067977 369443443 /nfs/dbraw/zinc/44/34/43/369443443.db2.gz CBVZWVOIJJDXGI-STQMWFEESA-N 2 2 235.375 2.143 20 30 BEEDLP C[C@H]1C[C@@H]([NH2+]CC2(C#N)CCCC2)CC[N@H+]1C ZINC000405067977 369443447 /nfs/dbraw/zinc/44/34/47/369443447.db2.gz CBVZWVOIJJDXGI-STQMWFEESA-N 2 2 235.375 2.143 20 30 BEEDLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000600712255 369559495 /nfs/dbraw/zinc/55/94/95/369559495.db2.gz WIMJGNWOVLBEFD-TUKIKUTGSA-N 2 2 243.354 2.349 20 30 BEEDLP Cc1ccc(C[N@@H+]2CCCC[C@H]2C[NH3+])cc1C#N ZINC000600706435 369559592 /nfs/dbraw/zinc/55/95/92/369559592.db2.gz WHMOUXOLDUPKGK-HNNXBMFYSA-N 2 2 243.354 2.180 20 30 BEEDLP Cc1ccc(C[N@H+]2CCCC[C@H]2C[NH3+])cc1C#N ZINC000600706435 369559596 /nfs/dbraw/zinc/55/95/96/369559596.db2.gz WHMOUXOLDUPKGK-HNNXBMFYSA-N 2 2 243.354 2.180 20 30 BEEDLP C[C@@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccc(C#N)c(F)c1 ZINC000335176434 371530681 /nfs/dbraw/zinc/53/06/81/371530681.db2.gz DVJGCMGHHXQSMF-MFKMUULPSA-N 2 2 247.317 2.100 20 30 BEEDLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185753221 134392772 /nfs/dbraw/zinc/39/27/72/134392772.db2.gz ICRXXAOUYAJOBL-BFHYXJOUSA-N 2 2 235.375 2.143 20 30 BEEDLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185753221 134392774 /nfs/dbraw/zinc/39/27/74/134392774.db2.gz ICRXXAOUYAJOBL-BFHYXJOUSA-N 2 2 235.375 2.143 20 30 BEEDLP Cc1[nH+]ccn1CCC[N@H+](CC#N)C1CCCC1 ZINC000161974903 384551568 /nfs/dbraw/zinc/55/15/68/384551568.db2.gz ZMOXQBWMAUJSCP-UHFFFAOYSA-N 2 2 246.358 2.350 20 30 BEEDLP Cc1[nH+]ccn1CCC[N@@H+](CC#N)C1CCCC1 ZINC000161974903 384551571 /nfs/dbraw/zinc/55/15/71/384551571.db2.gz ZMOXQBWMAUJSCP-UHFFFAOYSA-N 2 2 246.358 2.350 20 30 BEEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000361435183 384566048 /nfs/dbraw/zinc/56/60/48/384566048.db2.gz KDWYJZNYSYVDBK-BHPKHCPMSA-N 2 2 247.386 2.141 20 30 BEEDLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000361435183 384566054 /nfs/dbraw/zinc/56/60/54/384566054.db2.gz KDWYJZNYSYVDBK-BHPKHCPMSA-N 2 2 247.386 2.141 20 30 BEEDLP CCCC[N@H+](C)CC[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000310037191 384803702 /nfs/dbraw/zinc/80/37/02/384803702.db2.gz UWQITPZNVSCYKK-STQMWFEESA-N 2 2 223.364 2.000 20 30 BEEDLP CCCC[N@@H+](C)CC[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000310037191 384803708 /nfs/dbraw/zinc/80/37/08/384803708.db2.gz UWQITPZNVSCYKK-STQMWFEESA-N 2 2 223.364 2.000 20 30 BEEDLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1ccc(C#N)cc1 ZINC000181580068 385514450 /nfs/dbraw/zinc/51/44/50/385514450.db2.gz LDELQRZAKAKQLH-SWLSCSKDSA-N 2 2 243.354 2.303 20 30 BEEDLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1ccc(C#N)cc1 ZINC000181580068 385514454 /nfs/dbraw/zinc/51/44/54/385514454.db2.gz LDELQRZAKAKQLH-SWLSCSKDSA-N 2 2 243.354 2.303 20 30 BEEDLP C=CC[C@H](CC)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000309440433 385582330 /nfs/dbraw/zinc/58/23/30/385582330.db2.gz IIGUNXVODTUXJA-SGMGOOAPSA-N 2 2 222.376 2.413 20 30 BEEDLP C=CC[C@H](CC)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000309440433 385582333 /nfs/dbraw/zinc/58/23/33/385582333.db2.gz IIGUNXVODTUXJA-SGMGOOAPSA-N 2 2 222.376 2.413 20 30 BEEDLP C=CC[C@H](CC)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000309440427 385583269 /nfs/dbraw/zinc/58/32/69/385583269.db2.gz IIGUNXVODTUXJA-DYEKYZERSA-N 2 2 222.376 2.413 20 30 BEEDLP C=CC[C@H](CC)[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000309440427 385583270 /nfs/dbraw/zinc/58/32/70/385583270.db2.gz IIGUNXVODTUXJA-DYEKYZERSA-N 2 2 222.376 2.413 20 30 BEEDLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC000595056147 385619346 /nfs/dbraw/zinc/61/93/46/385619346.db2.gz BKBQOAZYOHMYRH-XQQFMLRXSA-N 2 2 235.375 2.141 20 30 BEEDLP CC(C)(C)[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC000595056147 385619353 /nfs/dbraw/zinc/61/93/53/385619353.db2.gz BKBQOAZYOHMYRH-XQQFMLRXSA-N 2 2 235.375 2.141 20 30 BEEDLP C[NH+](C)C1(C[NH2+][C@@H]2CCC[C@H](C#N)C2)CCC1 ZINC000618577472 385872871 /nfs/dbraw/zinc/87/28/71/385872871.db2.gz JRCZKQQYLCARAP-QWHCGFSZSA-N 2 2 235.375 2.143 20 30 BEEDLP C=CCOc1cccc(C[N@@H+](C)[C@@H](C)C[NH3+])c1 ZINC000347051793 386206690 /nfs/dbraw/zinc/20/66/90/386206690.db2.gz REZJWNUOBGVUEM-LBPRGKRZSA-N 2 2 234.343 2.030 20 30 BEEDLP C=CCOc1cccc(C[N@H+](C)[C@@H](C)C[NH3+])c1 ZINC000347051793 386206694 /nfs/dbraw/zinc/20/66/94/386206694.db2.gz REZJWNUOBGVUEM-LBPRGKRZSA-N 2 2 234.343 2.030 20 30 BEEDLP C=CCOc1cccc(C[N@H+]2CCC[C@H]2C[NH3+])c1 ZINC000347031150 386222391 /nfs/dbraw/zinc/22/23/91/386222391.db2.gz YEIFPMBQJCRBRG-AWEZNQCLSA-N 2 2 246.354 2.175 20 30 BEEDLP C=CCOc1cccc(C[N@@H+]2CCC[C@H]2C[NH3+])c1 ZINC000347031150 386222397 /nfs/dbraw/zinc/22/23/97/386222397.db2.gz YEIFPMBQJCRBRG-AWEZNQCLSA-N 2 2 246.354 2.175 20 30 BEEDLP CC[NH+](CC)CC[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000192595407 386996880 /nfs/dbraw/zinc/99/68/80/386996880.db2.gz ZSQSCUSAHTXPDS-CHWSQXEVSA-N 2 2 223.364 2.000 20 30 BEEDLP CC[C@H](CC#N)[NH2+]CCC[NH+]1CCCCC1 ZINC000571940807 387208085 /nfs/dbraw/zinc/20/80/85/387208085.db2.gz SEMVFCKVZVYYFI-CYBMUJFWSA-N 2 2 223.364 2.144 20 30 BEEDLP C=C(C)CC[N@H+](C)CCCn1cc[nH+]c1 ZINC000274805949 387494833 /nfs/dbraw/zinc/49/48/33/387494833.db2.gz GSHWLEBHHCJKJX-UHFFFAOYSA-N 2 2 207.321 2.171 20 30 BEEDLP C=C(C)CC[N@@H+](C)CCCn1cc[nH+]c1 ZINC000274805949 387494837 /nfs/dbraw/zinc/49/48/37/387494837.db2.gz GSHWLEBHHCJKJX-UHFFFAOYSA-N 2 2 207.321 2.171 20 30 BEEDLP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000442782954 387839863 /nfs/dbraw/zinc/83/98/63/387839863.db2.gz PEPPMYLQEMKHJI-CBBWQLFWSA-N 2 2 249.402 2.389 20 30 BEEDLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000442854825 387851816 /nfs/dbraw/zinc/85/18/16/387851816.db2.gz JMBGABGSLHBIFX-MJBXVCDLSA-N 2 2 249.402 2.389 20 30 BEEDLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000442854825 387851817 /nfs/dbraw/zinc/85/18/17/387851817.db2.gz JMBGABGSLHBIFX-MJBXVCDLSA-N 2 2 249.402 2.389 20 30 BEEDLP N#C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000442857409 387852046 /nfs/dbraw/zinc/85/20/46/387852046.db2.gz FPRCQWYRRVPASH-IPYPFGDCSA-N 2 2 247.386 2.285 20 30 BEEDLP N#C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCC[N@H+]2C2CC2)C1 ZINC000442857409 387852052 /nfs/dbraw/zinc/85/20/52/387852052.db2.gz FPRCQWYRRVPASH-IPYPFGDCSA-N 2 2 247.386 2.285 20 30 BEEDLP C=CCCCC[C@@H](C)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643538731 387878361 /nfs/dbraw/zinc/87/83/61/387878361.db2.gz TZLVDHBJAJXSJJ-AGIUHOORSA-N 2 2 228.355 2.411 20 30 BEEDLP N#CCC1(C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000423096445 387884519 /nfs/dbraw/zinc/88/45/19/387884519.db2.gz OVOCAJXHSBGBFB-KGLIPLIRSA-N 2 2 241.338 2.415 20 30 BEEDLP N#CCC1(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000423096444 387886084 /nfs/dbraw/zinc/88/60/84/387886084.db2.gz OVOCAJXHSBGBFB-KBPBESRZSA-N 2 2 241.338 2.415 20 30 BEEDLP N#C[C@@H]1CCC[C@@H]([NH2+]C[C@@H]([NH3+])c2ccccc2)C1 ZINC000423248426 388031633 /nfs/dbraw/zinc/03/16/33/388031633.db2.gz RTVZPVKQHIOONB-BPLDGKMQSA-N 2 2 243.354 2.358 20 30 BEEDLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000449446216 388208176 /nfs/dbraw/zinc/20/81/76/388208176.db2.gz OXFFFQYKYFDXOK-PWNZVWSESA-N 2 2 247.386 2.141 20 30 BEEDLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000449446216 388208177 /nfs/dbraw/zinc/20/81/77/388208177.db2.gz OXFFFQYKYFDXOK-PWNZVWSESA-N 2 2 247.386 2.141 20 30 BEEDLP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C#N)o2)C1 ZINC000175013042 388444180 /nfs/dbraw/zinc/44/41/80/388444180.db2.gz NMTULDXUELDDNO-VXGBXAGGSA-N 2 2 247.342 2.114 20 30 BEEDLP N#C[C@H]1CC[C@H]([NH2+]Cc2c[nH+]c3n2CCCC3)C1 ZINC000551571079 388634580 /nfs/dbraw/zinc/63/45/80/388634580.db2.gz QAUMJUXXVWMAGY-RYUDHWBXSA-N 2 2 244.342 2.001 20 30 BEEDLP N#CC1(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCCC1 ZINC000405104021 388637846 /nfs/dbraw/zinc/63/78/46/388637846.db2.gz FUZBSSIELNJNAK-ZIAGYGMSSA-N 2 2 247.386 2.287 20 30 BEEDLP N#CC1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCCC1 ZINC000405104021 388637848 /nfs/dbraw/zinc/63/78/48/388637848.db2.gz FUZBSSIELNJNAK-ZIAGYGMSSA-N 2 2 247.386 2.287 20 30 BEEDLP CC[C@H]([NH2+]C[C@H]1CCC[NH2+]1)c1ccc(C#N)cc1 ZINC000423244046 388690172 /nfs/dbraw/zinc/69/01/72/388690172.db2.gz XDIYELUUCCUARQ-CABCVRRESA-N 2 2 243.354 2.351 20 30 BEEDLP C[C@H]([NH2+]CC1([NH3+])CCC1)c1ccc(C#N)cc1F ZINC000423335897 388690708 /nfs/dbraw/zinc/69/07/08/388690708.db2.gz UIXUKXZXEMPVAD-JTQLQIEISA-N 2 2 247.317 2.229 20 30 BEEDLP C[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc(C#N)cc1F ZINC000423322121 388690786 /nfs/dbraw/zinc/69/07/86/388690786.db2.gz NPHHMVBAPYTKAF-LKFCYVNXSA-N 2 2 247.317 2.085 20 30 BEEDLP CC[C@H]([NH3+])C[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000423478514 388692721 /nfs/dbraw/zinc/69/27/21/388692721.db2.gz USFHZMRCRLOMHO-KOLCDFICSA-N 2 2 235.306 2.085 20 30 BEEDLP C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)[C@H]1CCC[NH2+]1 ZINC000400325846 533502700 /nfs/dbraw/zinc/50/27/00/533502700.db2.gz AGXBMTZYZMLCEQ-YWPYICTPSA-N 2 2 243.354 2.349 20 30 BEEDLP C=C(C)C[NH+]1CCC(Nc2cc[nH+]c(C)n2)CC1 ZINC000361017018 134202729 /nfs/dbraw/zinc/20/27/29/134202729.db2.gz KQYCAZFYRFIVMG-UHFFFAOYSA-N 2 2 246.358 2.237 20 30 BEEDLP C=CCCC[NH+]1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000361699847 134207423 /nfs/dbraw/zinc/20/74/23/134207423.db2.gz SJRHMZDUVINYDB-UHFFFAOYSA-N 2 2 245.370 2.478 20 30 BEEDLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H](C#N)C2)C[N@@H+]1C1CC1 ZINC000185859200 134397527 /nfs/dbraw/zinc/39/75/27/134397527.db2.gz QNGSKWVUNKUJDI-XJFOESAGSA-N 2 2 247.386 2.284 20 30 BEEDLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H](C#N)C2)C[N@H+]1C1CC1 ZINC000185859200 134397529 /nfs/dbraw/zinc/39/75/29/134397529.db2.gz QNGSKWVUNKUJDI-XJFOESAGSA-N 2 2 247.386 2.284 20 30 BEEDLP C[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](C#N)C2)C[N@@H+]1C1CC1 ZINC000185859181 134397635 /nfs/dbraw/zinc/39/76/35/134397635.db2.gz QNGSKWVUNKUJDI-FQUUOJAGSA-N 2 2 247.386 2.284 20 30 BEEDLP C[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](C#N)C2)C[N@H+]1C1CC1 ZINC000185859181 134397637 /nfs/dbraw/zinc/39/76/37/134397637.db2.gz QNGSKWVUNKUJDI-FQUUOJAGSA-N 2 2 247.386 2.284 20 30 BEEDLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](CCCCC#N)C1 ZINC000365661534 135007677 /nfs/dbraw/zinc/00/76/77/135007677.db2.gz HJENYEVPBHSKEL-ZDUSSCGKSA-N 2 2 246.358 2.293 20 30 BEEDLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](CCCCC#N)C1 ZINC000365661534 135007679 /nfs/dbraw/zinc/00/76/79/135007679.db2.gz HJENYEVPBHSKEL-ZDUSSCGKSA-N 2 2 246.358 2.293 20 30 BEEDLP CC[N@H+](CC[NH2+][C@@H]1CCC[C@@H](C#N)C1)C1CC1 ZINC000248730833 135020776 /nfs/dbraw/zinc/02/07/76/135020776.db2.gz DFGONDXVTIUMMT-CHWSQXEVSA-N 2 2 235.375 2.143 20 30 BEEDLP CC[N@@H+](CC[NH2+][C@@H]1CCC[C@@H](C#N)C1)C1CC1 ZINC000248730833 135020777 /nfs/dbraw/zinc/02/07/77/135020777.db2.gz DFGONDXVTIUMMT-CHWSQXEVSA-N 2 2 235.375 2.143 20 30 BEEDLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000248783656 135021929 /nfs/dbraw/zinc/02/19/29/135021929.db2.gz ICRXXAOUYAJOBL-HZSPNIEDSA-N 2 2 235.375 2.143 20 30 BEEDLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000248783656 135021931 /nfs/dbraw/zinc/02/19/31/135021931.db2.gz ICRXXAOUYAJOBL-HZSPNIEDSA-N 2 2 235.375 2.143 20 30 BEEDLP C[NH+](C)C(C)(C)C[NH2+]CC(C)(C)CCC#N ZINC000112683178 135026766 /nfs/dbraw/zinc/02/67/66/135026766.db2.gz SIQOHFAWRYPZAS-UHFFFAOYSA-N 2 2 225.380 2.246 20 30 BEEDLP Cc1[nH+]ccn1CC[N@@H+](CCC#N)CCC(C)C ZINC000270665114 135173474 /nfs/dbraw/zinc/17/34/74/135173474.db2.gz PUGXITSFSMNNHM-UHFFFAOYSA-N 2 2 248.374 2.453 20 30 BEEDLP Cc1[nH+]ccn1CC[N@H+](CCC#N)CCC(C)C ZINC000270665114 135173476 /nfs/dbraw/zinc/17/34/76/135173476.db2.gz PUGXITSFSMNNHM-UHFFFAOYSA-N 2 2 248.374 2.453 20 30 BEEDLP N#C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1 ZINC000293809247 135183536 /nfs/dbraw/zinc/18/35/36/135183536.db2.gz OBHZELZJRDCXCB-JHJVBQTASA-N 2 2 244.342 2.281 20 30 BEEDLP N#C[C@@H]1CC[C@@H]([N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1 ZINC000293809247 135183537 /nfs/dbraw/zinc/18/35/37/135183537.db2.gz OBHZELZJRDCXCB-JHJVBQTASA-N 2 2 244.342 2.281 20 30 BEEDLP C=CCOc1cccc(C[N@H+]2C[C@@H](C)[C@H]([NH3+])C2)c1 ZINC000262032252 135274451 /nfs/dbraw/zinc/27/44/51/135274451.db2.gz OEBXBNBZNMHLJT-IUODEOHRSA-N 2 2 246.354 2.030 20 30 BEEDLP C=CCOc1cccc(C[N@@H+]2C[C@@H](C)[C@H]([NH3+])C2)c1 ZINC000262032252 135274452 /nfs/dbraw/zinc/27/44/52/135274452.db2.gz OEBXBNBZNMHLJT-IUODEOHRSA-N 2 2 246.354 2.030 20 30 BEEDLP C#CCCC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000270992745 166131163 /nfs/dbraw/zinc/13/11/63/166131163.db2.gz DZHOQFUGDMQETL-LBPRGKRZSA-N 2 2 217.316 2.003 20 30 BEEDLP C#CCCC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000270992745 166131165 /nfs/dbraw/zinc/13/11/65/166131165.db2.gz DZHOQFUGDMQETL-LBPRGKRZSA-N 2 2 217.316 2.003 20 30 BEEDLP C#CC[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccccc1 ZINC000271689805 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C[C@H](C[NH2+][C@@H]1CCC[C@H](C#N)C1)[N@@H+](C)C1CC1 ZINC000192833145 411262479 /nfs/dbraw/zinc/26/24/79/411262479.db2.gz MTOPLRIAHWVTOQ-FRRDWIJNSA-N 2 2 235.375 2.141 20 30 BEEDLP C=CCOc1cccc(C[N@@H+](C)CC(C)(C)[NH3+])c1 ZINC000656782990 411360071 /nfs/dbraw/zinc/36/00/71/411360071.db2.gz KWFPVBLVDMVPRJ-UHFFFAOYSA-N 2 2 248.370 2.421 20 30 BEEDLP C=CCOc1cccc(C[N@H+](C)CC(C)(C)[NH3+])c1 ZINC000656782990 411360073 /nfs/dbraw/zinc/36/00/73/411360073.db2.gz KWFPVBLVDMVPRJ-UHFFFAOYSA-N 2 2 248.370 2.421 20 30 BEEDLP C=CCOc1ccccc1C[N@@H+](C)CC(C)(C)[NH3+] ZINC000656784183 411362094 /nfs/dbraw/zinc/36/20/94/411362094.db2.gz ZISOYNJDJPVYEN-UHFFFAOYSA-N 2 2 248.370 2.421 20 30 BEEDLP C=CCOc1ccccc1C[N@H+](C)CC(C)(C)[NH3+] ZINC000656784183 411362100 /nfs/dbraw/zinc/36/21/00/411362100.db2.gz ZISOYNJDJPVYEN-UHFFFAOYSA-N 2 2 248.370 2.421 20 30 BEEDLP C=CCCCCC[N@@H+]1CCn2c[nH+]cc2C1 ZINC000660582336 411335684 /nfs/dbraw/zinc/33/56/84/411335684.db2.gz RRKRWFVUQBMNPJ-UHFFFAOYSA-N 2 2 219.332 2.445 20 30 BEEDLP C=CCCCCC[N@H+]1CCn2c[nH+]cc2C1 ZINC000660582336 411335688 /nfs/dbraw/zinc/33/56/88/411335688.db2.gz RRKRWFVUQBMNPJ-UHFFFAOYSA-N 2 2 219.332 2.445 20 30 BEEDLP CCC#C[C@@H](C)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000653590465 411426173 /nfs/dbraw/zinc/42/61/73/411426173.db2.gz CLYHZMBMISUEEO-OLZOCXBDSA-N 2 2 231.343 2.011 20 30 BEEDLP CCC#C[C@@H](C)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000653590465 411426177 /nfs/dbraw/zinc/42/61/77/411426177.db2.gz CLYHZMBMISUEEO-OLZOCXBDSA-N 2 2 231.343 2.011 20 30 BEEDLP C[C@H]([NH2+]CCC[NH+](C)C)c1ccc(C#N)cc1F ZINC000358561813 411493977 /nfs/dbraw/zinc/49/39/77/411493977.db2.gz SYRLFVIMRCYJLJ-NSHDSACASA-N 2 2 249.333 2.300 20 30 BEEDLP CC[C@@H](CC#N)[NH2+]CCc1cc[nH+]cc1C ZINC000582554560 487917102 /nfs/dbraw/zinc/91/71/02/487917102.db2.gz PLBBQTYSQGVGPI-ZDUSSCGKSA-N 2 2 217.316 2.214 20 30 BEEDLP C=CC[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000121164278 324004649 /nfs/dbraw/zinc/00/46/49/324004649.db2.gz VPWCUCLIVPPJDF-UHFFFAOYSA-N 2 2 227.311 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BEEDLP C=C(Cl)C[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000373110947 534437216 /nfs/dbraw/zinc/43/72/16/534437216.db2.gz JUAPXZIIMVOODL-NSHDSACASA-N 2 2 239.750 2.352 20 30 BEEDLP C=C1CC[NH+](CCC[NH+](CC)CC)CC1 ZINC000338315570 534465955 /nfs/dbraw/zinc/46/59/55/534465955.db2.gz ODJURWVJIOQEBZ-UHFFFAOYSA-N 2 2 210.365 2.370 20 30 BEEDLP C=C[C@@H](C)[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000358311784 534507429 /nfs/dbraw/zinc/50/74/29/534507429.db2.gz ZPPJDBFASKJIAP-CYBMUJFWSA-N 2 2 245.370 2.210 20 30 BEEDLP C=C(C)C[C@@H](CO)[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000895714907 583711299 /nfs/dbraw/zinc/71/12/99/583711299.db2.gz KZEPKRHRHFKJOP-HNNXBMFYSA-N 2 2 248.370 2.239 20 30 BEEDLP CC1(C)CC[N@H+](CC[NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC000898034098 584078417 /nfs/dbraw/zinc/07/84/17/584078417.db2.gz HYMKLUFESICYEW-QWHCGFSZSA-N 2 2 235.375 2.000 20 30 BEEDLP CC1(C)CC[N@@H+](CC[NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC000898034098 584078420 /nfs/dbraw/zinc/07/84/20/584078420.db2.gz HYMKLUFESICYEW-QWHCGFSZSA-N 2 2 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ZINC000903035670 584719724 /nfs/dbraw/zinc/71/97/24/584719724.db2.gz SHJLDOUYLTWMIZ-MELADBBJSA-N 2 2 247.386 2.143 20 30 BEEDLP CCC[N@H+](CC1CCC(C#N)CC1)[C@@H]1CC[NH2+]C1 ZINC000903423047 584764747 /nfs/dbraw/zinc/76/47/47/584764747.db2.gz OLDYSUGYVBJXNM-YMAMQOFZSA-N 2 2 249.402 2.390 20 30 BEEDLP CCC[N@@H+](CC1CCC(C#N)CC1)[C@@H]1CC[NH2+]C1 ZINC000903423047 584764748 /nfs/dbraw/zinc/76/47/48/584764748.db2.gz OLDYSUGYVBJXNM-YMAMQOFZSA-N 2 2 249.402 2.390 20 30 BEEDLP C[NH2+][C@H]1CC[N@H+](CCCCC2(C#N)CCC2)C1 ZINC000903713543 584793515 /nfs/dbraw/zinc/79/35/15/584793515.db2.gz VBCNLAYUYLIUPW-ZDUSSCGKSA-N 2 2 235.375 2.144 20 30 BEEDLP C[NH2+][C@H]1CC[N@@H+](CCCCC2(C#N)CCC2)C1 ZINC000903713543 584793517 /nfs/dbraw/zinc/79/35/17/584793517.db2.gz VBCNLAYUYLIUPW-ZDUSSCGKSA-N 2 2 235.375 2.144 20 30 BEEDLP N#CC1(C[NH2+]C[C@H]([NH3+])CC(F)F)CCCCC1 ZINC000903932776 584825099 /nfs/dbraw/zinc/82/50/99/584825099.db2.gz GULSPWCZGKFWSC-SNVBAGLBSA-N 2 2 245.317 2.033 20 30 BEEDLP C[C@]1(C[NH2+]CC2(C#N)CCCCC2)CCC[NH2+]C1 ZINC000904379402 584876763 /nfs/dbraw/zinc/87/67/63/584876763.db2.gz UHCAOVVMKFWVGK-AWEZNQCLSA-N 2 2 249.402 2.440 20 30 BEEDLP CC(C)CO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000754292575 585282124 /nfs/dbraw/zinc/28/21/24/585282124.db2.gz HFDQOLSFYAJJTN-UHFFFAOYSA-N 2 2 249.358 2.041 20 30 BEEDLP C#CCC[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000783029932 585827264 /nfs/dbraw/zinc/82/72/64/585827264.db2.gz JBLJSHANDIISHS-UHFFFAOYSA-N 2 2 245.370 2.399 20 30 BEEDLP CCC(=[NH+]Nc1cc[nH+]cc1)c1cccc(N)c1 ZINC000814899725 586646361 /nfs/dbraw/zinc/64/63/61/586646361.db2.gz KHTKCXAXKDQIDA-UHFFFAOYSA-N 2 2 240.310 2.312 20 30 BEEDLP C=C(Cl)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000815146274 586670355 /nfs/dbraw/zinc/67/03/55/586670355.db2.gz PJPGABGJOPWGOP-LBPRGKRZSA-N 2 2 228.767 2.157 20 30 BEEDLP C=C(Cl)C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000815146274 586670357 /nfs/dbraw/zinc/67/03/57/586670357.db2.gz PJPGABGJOPWGOP-LBPRGKRZSA-N 2 2 228.767 2.157 20 30 BEEDLP C=C(Cl)C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000815146274 586670358 /nfs/dbraw/zinc/67/03/58/586670358.db2.gz PJPGABGJOPWGOP-LBPRGKRZSA-N 2 2 228.767 2.157 20 30 BEEDLP C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000815146274 586670360 /nfs/dbraw/zinc/67/03/60/586670360.db2.gz PJPGABGJOPWGOP-LBPRGKRZSA-N 2 2 228.767 2.157 20 30 BEEDLP C=CC[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1ccncc1 ZINC000817895300 586834903 /nfs/dbraw/zinc/83/49/03/586834903.db2.gz XQOFMNBQAMKYLR-CFVMTHIKSA-N 2 2 245.370 2.429 20 30 BEEDLP CC([NH2+]Nc1[nH+]ccn1C)=C1CC(F)(F)C1 ZINC000863109472 589257326 /nfs/dbraw/zinc/25/73/26/589257326.db2.gz PROZYPKIZYEKAJ-UHFFFAOYSA-N 2 2 228.246 2.253 20 30 BEEDLP Cc1cc(NN=Cc2c[nH+]cn2C(C)C)cc[nH+]1 ZINC000863161184 589265115 /nfs/dbraw/zinc/26/51/15/589265115.db2.gz YLXVQVLMTCQAJO-UHFFFAOYSA-N 2 2 243.314 2.035 20 30 BEEDLP C#C[C@H]1CC[C@H]([NH2+][C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000872139317 589880313 /nfs/dbraw/zinc/88/03/13/589880313.db2.gz BSINKYWFFNLUPJ-KBUPBQIOSA-N 2 2 246.398 2.393 20 30 BEEDLP C#C[C@H]1CC[C@H]([NH2+][C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC1 ZINC000872139317 589880314 /nfs/dbraw/zinc/88/03/14/589880314.db2.gz BSINKYWFFNLUPJ-KBUPBQIOSA-N 2 2 246.398 2.393 20 30 BEEDLP C#C[C@H]1CC[C@H]([NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)CC1 ZINC000872140252 589880921 /nfs/dbraw/zinc/88/09/21/589880921.db2.gz HIEZBQSRWKWRJU-RZLSGREXSA-N 2 2 246.398 2.251 20 30 BEEDLP C#C[C@H]1CC[C@H]([NH2+][C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)CC1 ZINC000872140252 589880923 /nfs/dbraw/zinc/88/09/23/589880923.db2.gz HIEZBQSRWKWRJU-RZLSGREXSA-N 2 2 246.398 2.251 20 30 BEEDLP C#CC[N@@H+](CC)Cc1c(C)cc(C)[nH+]c1C ZINC000878166901 590513398 /nfs/dbraw/zinc/51/33/98/590513398.db2.gz JEQFJLMPFAQTFG-UHFFFAOYSA-N 2 2 216.328 2.462 20 30 BEEDLP C#CC[N@H+](CC)Cc1c(C)cc(C)[nH+]c1C ZINC000878166901 590513400 /nfs/dbraw/zinc/51/34/00/590513400.db2.gz JEQFJLMPFAQTFG-UHFFFAOYSA-N 2 2 216.328 2.462 20 30 BEEDLP C=CC[C@H](C)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000878527715 590586648 /nfs/dbraw/zinc/58/66/48/590586648.db2.gz FXFRBOXNSZZPHZ-GXTWGEPZSA-N 2 2 232.327 2.499 20 30 BEEDLP C=CC[C@H](C)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000878527715 590586649 /nfs/dbraw/zinc/58/66/49/590586649.db2.gz FXFRBOXNSZZPHZ-GXTWGEPZSA-N 2 2 232.327 2.499 20 30 BEEDLP C=C(C)CC[NH+]1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000880136689 590936748 /nfs/dbraw/zinc/93/67/48/590936748.db2.gz QDLRGBLRLZMSOJ-STQMWFEESA-N 2 2 208.349 2.121 20 30 BEEDLP C=C(C)CC[NH+]1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000880136689 590936751 /nfs/dbraw/zinc/93/67/51/590936751.db2.gz QDLRGBLRLZMSOJ-STQMWFEESA-N 2 2 208.349 2.121 20 30 BEEDLP C=C(C)CC[N@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC000880136689 590936753 /nfs/dbraw/zinc/93/67/53/590936753.db2.gz QDLRGBLRLZMSOJ-STQMWFEESA-N 2 2 208.349 2.121 20 30 BEEDLP C=C(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC000880136689 590936755 /nfs/dbraw/zinc/93/67/55/590936755.db2.gz QDLRGBLRLZMSOJ-STQMWFEESA-N 2 2 208.349 2.121 20 30 BEEDLP C=CCC[C@H]([NH2+]C[C@@H](C)[NH+](C)C)[C@H]1CCCO1 ZINC000883186552 591565183 /nfs/dbraw/zinc/56/51/83/591565183.db2.gz UVWZRGJLVIDRJT-HZSPNIEDSA-N 2 2 240.391 2.040 20 30 BEEDLP C=CCC[C@H]([NH2+]C[C@H](C)[NH+](C)C)[C@H]1CCCO1 ZINC000883186554 591565569 /nfs/dbraw/zinc/56/55/69/591565569.db2.gz UVWZRGJLVIDRJT-MELADBBJSA-N 2 2 240.391 2.040 20 30 BEEDLP C=CC[C@@H](C)[NH2+]c1ccc(OCC[NH3+])cc1 ZINC000883424909 591653157 /nfs/dbraw/zinc/65/31/57/591653157.db2.gz GZDSDDSBVPMVMV-LLVKDONJSA-N 2 2 220.316 2.401 20 30 BEEDLP Cc1ccc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)cc1C#N ZINC000925843069 635508879 /nfs/dbraw/zinc/50/88/79/635508879.db2.gz YXNCHJOQXXFKAG-SWLSCSKDSA-N 2 2 243.354 2.097 20 30 BEEDLP C[C@H]([NH2+][C@H]1CCCC[NH2+]C1)c1cccc(C#N)c1 ZINC000335498176 631232808 /nfs/dbraw/zinc/23/28/08/631232808.db2.gz FDTBUFFXQSPWDF-WFASDCNBSA-N 2 2 243.354 2.351 20 30 BEEDLP C[NH+](C)CC(C)(C)[NH2+]CC1CCC(C#N)CC1 ZINC000930683307 639861223 /nfs/dbraw/zinc/86/12/23/639861223.db2.gz BSZGNJDCFJJEGM-UHFFFAOYSA-N 2 2 237.391 2.246 20 30 BEEDLP C[C@@H]1CCC[N@@H+]1CC[NH2+]CC(C)(C)CCC#N ZINC000742386604 641171862 /nfs/dbraw/zinc/17/18/62/641171862.db2.gz JEVCXXMNPGMEEB-CYBMUJFWSA-N 2 2 237.391 2.390 20 30 BEEDLP C[C@@H]1CCC[N@H+]1CC[NH2+]CC(C)(C)CCC#N ZINC000742386604 641171867 /nfs/dbraw/zinc/17/18/67/641171867.db2.gz JEVCXXMNPGMEEB-CYBMUJFWSA-N 2 2 237.391 2.390 20 30 BEEDLP C=CCCC[N@@H+](CC)CCc1c[nH+]cn1C ZINC000934647640 641230542 /nfs/dbraw/zinc/23/05/42/641230542.db2.gz QKWNMQILCMJJLC-UHFFFAOYSA-N 2 2 221.348 2.251 20 30 BEEDLP C=CCCC[N@H+](CC)CCc1c[nH+]cn1C ZINC000934647640 641230550 /nfs/dbraw/zinc/23/05/50/641230550.db2.gz QKWNMQILCMJJLC-UHFFFAOYSA-N 2 2 221.348 2.251 20 30 BEEDLP C=CC[C@@H]1CC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000625705132 644173387 /nfs/dbraw/zinc/17/33/87/644173387.db2.gz SHTROJQTWJBUFZ-CYBMUJFWSA-N 2 2 219.332 2.171 20 30 BEEDLP C=CC[C@@H]1CC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000625705132 644173388 /nfs/dbraw/zinc/17/33/88/644173388.db2.gz SHTROJQTWJBUFZ-CYBMUJFWSA-N 2 2 219.332 2.171 20 30 BEEDLP C#CCCC[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000925160859 646197485 /nfs/dbraw/zinc/19/74/85/646197485.db2.gz NJMHPVVXVOVYIU-KBPBESRZSA-N 2 2 220.360 2.006 20 30 BEEDLP C#CCCC[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000925160859 646197489 /nfs/dbraw/zinc/19/74/89/646197489.db2.gz NJMHPVVXVOVYIU-KBPBESRZSA-N 2 2 220.360 2.006 20 30 BEEDLP C#CCCCC[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000925526727 646316944 /nfs/dbraw/zinc/31/69/44/646316944.db2.gz KVZGQWCNSDRYPR-CABCVRRESA-N 2 2 234.387 2.396 20 30 BEEDLP C#CCCCC[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000925526727 646316952 /nfs/dbraw/zinc/31/69/52/646316952.db2.gz KVZGQWCNSDRYPR-CABCVRRESA-N 2 2 234.387 2.396 20 30 BEEDLP C=CCCCCCCC[NH2+][C@H]1C[NH2+]CCOC1 ZINC000925669589 646400451 /nfs/dbraw/zinc/40/04/51/646400451.db2.gz VXHZGUIIHAULDN-AWEZNQCLSA-N 2 2 240.391 2.091 20 30 BEEDLP Cc1ccc(C[NH2+][C@H]2CC[NH2+]C2(C)C)cc1C#N ZINC000925838607 646505762 /nfs/dbraw/zinc/50/57/62/646505762.db2.gz MHVDVTYZXOURPR-AWEZNQCLSA-N 2 2 243.354 2.097 20 30 BEEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cccc(C)c1F ZINC000384485417 710994268 /nfs/dbraw/zinc/99/42/68/710994268.db2.gz IEGDEHNHEOJTRZ-UHFFFAOYSA-N 2 2 248.345 2.179 20 30 BEEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cccc(C)c1F ZINC000384485417 710994271 /nfs/dbraw/zinc/99/42/71/710994271.db2.gz IEGDEHNHEOJTRZ-UHFFFAOYSA-N 2 2 248.345 2.179 20 30 BEEDLP CC[NH+]1CCC([NH2+]CC#Cc2ccccc2)CC1 ZINC000387331970 711043079 /nfs/dbraw/zinc/04/30/79/711043079.db2.gz DDAVUGZVVDCQCX-UHFFFAOYSA-N 2 2 242.366 2.112 20 30 BEEDLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCCC(C)(C)C#N ZINC000718919885 712787784 /nfs/dbraw/zinc/78/77/84/712787784.db2.gz OFVYHTNHPQZGQE-UONOGXRCSA-N 2 2 249.402 2.485 20 30 BEEDLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCCC(C)(C)C#N ZINC000718919885 712787785 /nfs/dbraw/zinc/78/77/85/712787785.db2.gz OFVYHTNHPQZGQE-UONOGXRCSA-N 2 2 249.402 2.485 20 30 BEEDLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2CCCC(C)(C)C#N ZINC000718919885 712787787 /nfs/dbraw/zinc/78/77/87/712787787.db2.gz OFVYHTNHPQZGQE-UONOGXRCSA-N 2 2 249.402 2.485 20 30 BEEDLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2CCCC(C)(C)C#N ZINC000718919885 712787788 /nfs/dbraw/zinc/78/77/88/712787788.db2.gz OFVYHTNHPQZGQE-UONOGXRCSA-N 2 2 249.402 2.485 20 30 BEEDLP C=CC[NH+]1CCN(c2cc(C)cc(C)[nH+]2)CC1 ZINC001165033801 721863382 /nfs/dbraw/zinc/86/33/82/721863382.db2.gz XTNXJVKITXZKRC-UHFFFAOYSA-N 2 2 231.343 2.006 20 30 BEEDLP C=CC[NH+]1CCN(c2cc(C)c(C)c[nH+]2)CC1 ZINC001165032373 721871365 /nfs/dbraw/zinc/87/13/65/721871365.db2.gz OZWLNJVWZFVEGH-UHFFFAOYSA-N 2 2 231.343 2.006 20 30 BEEDLP C=C(C)[C@@H]1CC=C(C[N@@H+]2CC[C@@H]([NH3+])C2)CC1 ZINC001236167378 966281708 /nfs/dbraw/zinc/28/17/08/966281708.db2.gz BZVDCOIRJNIDGT-ZIAGYGMSSA-N 2 2 220.360 2.322 20 30 BEEDLP C=C(C)[C@@H]1CC=C(C[N@H+]2CC[C@@H]([NH3+])C2)CC1 ZINC001236167378 966281715 /nfs/dbraw/zinc/28/17/15/966281715.db2.gz BZVDCOIRJNIDGT-ZIAGYGMSSA-N 2 2 220.360 2.322 20 30 BEEDLP C=CCCC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001209161890 969363189 /nfs/dbraw/zinc/36/31/89/969363189.db2.gz GGSQVEJCQXKGRG-OLZOCXBDSA-N 2 2 208.349 2.121 20 30 BEEDLP C=CCCC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001209161890 969363195 /nfs/dbraw/zinc/36/31/95/969363195.db2.gz GGSQVEJCQXKGRG-OLZOCXBDSA-N 2 2 208.349 2.121 20 30 BEEDLP C=CCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C ZINC001209161890 969363201 /nfs/dbraw/zinc/36/32/01/969363201.db2.gz GGSQVEJCQXKGRG-OLZOCXBDSA-N 2 2 208.349 2.121 20 30 BEEDLP C=CCCC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C ZINC001209161890 969363205 /nfs/dbraw/zinc/36/32/05/969363205.db2.gz GGSQVEJCQXKGRG-OLZOCXBDSA-N 2 2 208.349 2.121 20 30 BEEDLP C=CCCCC[N@H+]1C[C@H]2CCC[NH+](C)[C@@H]2C1 ZINC001209207024 969393669 /nfs/dbraw/zinc/39/36/69/969393669.db2.gz ICLLASAOXYVFBT-ZIAGYGMSSA-N 2 2 222.376 2.369 20 30 BEEDLP C=CCCCC[N@@H+]1C[C@H]2CCC[NH+](C)[C@@H]2C1 ZINC001209207024 969393687 /nfs/dbraw/zinc/39/36/87/969393687.db2.gz ICLLASAOXYVFBT-ZIAGYGMSSA-N 2 2 222.376 2.369 20 30 BEEDLP CC[NH+]1CCC([NH2+]CC#CC(C)(C)C)CC1 ZINC000395717448 1166723721 /nfs/dbraw/zinc/72/37/21/1166723721.db2.gz JOOAEEKHAUKREX-UHFFFAOYSA-N 2 2 222.376 2.110 20 30 BEEDLP CC[C@@H](CC#N)[NH2+][C@H](C)CC[NH+](CC)CC ZINC001255946525 970583673 /nfs/dbraw/zinc/58/36/73/970583673.db2.gz AQLUZZFJYMRFNF-OLZOCXBDSA-N 2 2 225.380 2.389 20 30 BEEDLP C=CCOC1CCC([NH2+][C@H](C)C[NH+](C)C)CC1 ZINC001173311875 975220065 /nfs/dbraw/zinc/22/00/65/975220065.db2.gz QEBSDVJRZRZOMJ-IYXRBSQSSA-N 2 2 240.391 2.040 20 30 BEEDLP C=CCCCCC[N@@H+](CCOC)[C@@H]1CC[NH2+]C1 ZINC001236333265 979535569 /nfs/dbraw/zinc/53/55/69/979535569.db2.gz JVINYZOHOGDYTP-CQSZACIVSA-N 2 2 240.391 2.043 20 30 BEEDLP C=CCCCCC[N@H+](CCOC)[C@@H]1CC[NH2+]C1 ZINC001236333265 979535581 /nfs/dbraw/zinc/53/55/81/979535581.db2.gz JVINYZOHOGDYTP-CQSZACIVSA-N 2 2 240.391 2.043 20 30 BEEDLP CC(C)C[N@@H+]1CC[C@H]([NH2+][C@@H](C)CCCC#N)C1 ZINC001172488716 974833748 /nfs/dbraw/zinc/83/37/48/974833748.db2.gz ODXPWJFFHWLERS-KBPBESRZSA-N 2 2 237.391 2.389 20 30 BEEDLP CC(C)C[N@H+]1CC[C@H]([NH2+][C@@H](C)CCCC#N)C1 ZINC001172488716 974833750 /nfs/dbraw/zinc/83/37/50/974833750.db2.gz ODXPWJFFHWLERS-KBPBESRZSA-N 2 2 237.391 2.389 20 30 BEEDLP C[N@@H+]1CCC[C@H]2C[NH+](C3CCC(C#N)CC3)C[C@H]21 ZINC001256971652 971052974 /nfs/dbraw/zinc/05/29/74/971052974.db2.gz KZYPBOYSTUOYBV-OOJKYFRXSA-N 2 2 247.386 2.095 20 30 BEEDLP C[N@H+]1CCC[C@H]2C[NH+](C3CCC(C#N)CC3)C[C@H]21 ZINC001256971652 971052978 /nfs/dbraw/zinc/05/29/78/971052978.db2.gz KZYPBOYSTUOYBV-OOJKYFRXSA-N 2 2 247.386 2.095 20 30 BEEDLP C[NH+]1CCC[C@H]2C[N@@H+](C3CCC(C#N)CC3)C[C@H]21 ZINC001256971652 971052986 /nfs/dbraw/zinc/05/29/86/971052986.db2.gz KZYPBOYSTUOYBV-OOJKYFRXSA-N 2 2 247.386 2.095 20 30 BEEDLP C[NH+]1CCC[C@H]2C[N@H+](C3CCC(C#N)CC3)C[C@H]21 ZINC001256971652 971052995 /nfs/dbraw/zinc/05/29/95/971052995.db2.gz KZYPBOYSTUOYBV-OOJKYFRXSA-N 2 2 247.386 2.095 20 30 BEEDLP CCCCCCC[C@@H](C)[NH2+][C@@H]1COC[C@@H]1[NH3+] ZINC001246120389 972181875 /nfs/dbraw/zinc/18/18/75/972181875.db2.gz HHRVLKZGIJSURJ-FRRDWIJNSA-N 2 2 228.380 2.051 20 30 BEEDLP C[C@@]1(C#N)CC[N@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140805575 960605194 /nfs/dbraw/zinc/60/51/94/960605194.db2.gz JLRWZNHSJHYBFO-AWEZNQCLSA-N 2 2 240.310 2.298 20 30 BEEDLP C[C@@]1(C#N)CC[N@@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140805575 960605199 /nfs/dbraw/zinc/60/51/99/960605199.db2.gz JLRWZNHSJHYBFO-AWEZNQCLSA-N 2 2 240.310 2.298 20 30 BEEDLP C[C@@H]([NH3+])[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccccc1 ZINC000925702897 960702006 /nfs/dbraw/zinc/70/20/06/960702006.db2.gz FTIYCVMCSSRVHH-OSRDXIQISA-N 2 2 243.354 2.357 20 30 BEEDLP C[NH+](C)CCC(C)(C)Nc1cc(CC#N)cc[nH+]1 ZINC001158760731 963915896 /nfs/dbraw/zinc/91/58/96/963915896.db2.gz LDOAUTMTQJEFLB-UHFFFAOYSA-N 2 2 246.358 2.290 20 30 BEEDLP CC[C@@](C)(C#N)[NH2+]C1CCC([NH+](C)C)CC1 ZINC001168300343 964398887 /nfs/dbraw/zinc/39/88/87/964398887.db2.gz VBTARUXJVDLNIH-BPCQOVAHSA-N 2 2 223.364 2.141 20 30 BEEDLP C=CC[N@H+]1CCC[C@H]1CNc1cc(OC)cc[nH+]1 ZINC001160953205 964455230 /nfs/dbraw/zinc/45/52/30/964455230.db2.gz WPXUNHHUESLPOO-LBPRGKRZSA-N 2 2 247.342 2.153 20 30 BEEDLP C=CC[N@@H+]1CCC[C@H]1CNc1cc(OC)cc[nH+]1 ZINC001160953205 964455237 /nfs/dbraw/zinc/45/52/37/964455237.db2.gz WPXUNHHUESLPOO-LBPRGKRZSA-N 2 2 247.342 2.153 20 30 BEEDLP C=CCc1cccc(C[N@H+]2CC[C@@H]([NH3+])[C@H]2C)c1O ZINC001205182619 967412391 /nfs/dbraw/zinc/41/23/91/967412391.db2.gz DDNHVKALTOYIEB-BXUZGUMPSA-N 2 2 246.354 2.042 20 30 BEEDLP C=CCc1cccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H]2C)c1O ZINC001205182619 967412394 /nfs/dbraw/zinc/41/23/94/967412394.db2.gz DDNHVKALTOYIEB-BXUZGUMPSA-N 2 2 246.354 2.042 20 30 BEEDLP C=CCCCC[NH+]1C[C@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001209207024 969393659 /nfs/dbraw/zinc/39/36/59/969393659.db2.gz ICLLASAOXYVFBT-ZIAGYGMSSA-N 2 2 222.376 2.369 20 30 BEEDLP C=CCCCC[NH+]1C[C@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001209207024 969393665 /nfs/dbraw/zinc/39/36/65/969393665.db2.gz ICLLASAOXYVFBT-ZIAGYGMSSA-N 2 2 222.376 2.369 20 30 BEEDLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1(CC#N)CCCC1)C2 ZINC001169124395 969419975 /nfs/dbraw/zinc/41/99/75/969419975.db2.gz QYAZCDVDEBCIHL-ZSOGYDGISA-N 2 2 247.386 2.428 20 30 BEEDLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1(CC#N)CCCC1)C2 ZINC001169124395 969419978 /nfs/dbraw/zinc/41/99/78/969419978.db2.gz QYAZCDVDEBCIHL-ZSOGYDGISA-N 2 2 247.386 2.428 20 30 BEEDLP CC[N@H+](C)C1CC[NH+]([C@H]2CC[C@H](C#N)C2)CC1 ZINC001254677419 969784231 /nfs/dbraw/zinc/78/42/31/969784231.db2.gz SXYGMPPJCQHGTC-JSGCOSHPSA-N 2 2 235.375 2.095 20 30 BEEDLP CC[N@@H+](C)C1CC[NH+]([C@H]2CC[C@H](C#N)C2)CC1 ZINC001254677419 969784237 /nfs/dbraw/zinc/78/42/37/969784237.db2.gz SXYGMPPJCQHGTC-JSGCOSHPSA-N 2 2 235.375 2.095 20 30 BEEDLP CCC[N@H+](CCC[NH+](C)C)[C@H](CC)CC#N ZINC001255179438 969997543 /nfs/dbraw/zinc/99/75/43/969997543.db2.gz PKSOSCIOILOKDK-CYBMUJFWSA-N 2 2 225.380 2.342 20 30 BEEDLP CCC[N@@H+](CCC[NH+](C)C)[C@H](CC)CC#N ZINC001255179438 969997546 /nfs/dbraw/zinc/99/75/46/969997546.db2.gz PKSOSCIOILOKDK-CYBMUJFWSA-N 2 2 225.380 2.342 20 30 BEEDLP C=CC[N@@H+](C1CC[NH+](C)CC1)C(C)(C)C ZINC001256209184 970708589 /nfs/dbraw/zinc/70/85/89/970708589.db2.gz ONHGMSLTJMKZLA-UHFFFAOYSA-N 2 2 210.365 2.367 20 30 BEEDLP C=CC[N@H+](C1CC[NH+](C)CC1)C(C)(C)C ZINC001256209184 970708599 /nfs/dbraw/zinc/70/85/99/970708599.db2.gz ONHGMSLTJMKZLA-UHFFFAOYSA-N 2 2 210.365 2.367 20 30 BEEDLP CCCCCCC[C@H](CC)[NH2+][C@@H]1COC[C@H]1[NH3+] ZINC001172346610 974614048 /nfs/dbraw/zinc/61/40/48/974614048.db2.gz KGIJCPDZMXXADD-BFHYXJOUSA-N 2 2 242.407 2.441 20 30 BEEDLP CC(C)[N@@H+]1CC[C@@H]([NH2+][C@H](C)CCCC#N)C1 ZINC001172480423 974779039 /nfs/dbraw/zinc/77/90/39/974779039.db2.gz UFHUURSUNZIOLR-CHWSQXEVSA-N 2 2 223.364 2.141 20 30 BEEDLP CC(C)[N@H+]1CC[C@@H]([NH2+][C@H](C)CCCC#N)C1 ZINC001172480423 974779045 /nfs/dbraw/zinc/77/90/45/974779045.db2.gz UFHUURSUNZIOLR-CHWSQXEVSA-N 2 2 223.364 2.141 20 30 BEEDLP CC(C)C[N@@H+]1CC[C@H]([NH2+][C@H](C)CCCC#N)C1 ZINC001172488717 974833018 /nfs/dbraw/zinc/83/30/18/974833018.db2.gz ODXPWJFFHWLERS-KGLIPLIRSA-N 2 2 237.391 2.389 20 30 BEEDLP CC(C)C[N@H+]1CC[C@H]([NH2+][C@H](C)CCCC#N)C1 ZINC001172488717 974833022 /nfs/dbraw/zinc/83/30/22/974833022.db2.gz ODXPWJFFHWLERS-KGLIPLIRSA-N 2 2 237.391 2.389 20 30 BEEDLP CC[NH+](CC)C1CCC([NH+]2CC(C)(C#N)C2)CC1 ZINC001173108573 975026920 /nfs/dbraw/zinc/02/69/20/975026920.db2.gz NQJCNTQQFIFJSO-UHFFFAOYSA-N 2 2 249.402 2.485 20 30 BEEDLP C[C@H](CCC#N)C[N@@H+]1CCC[NH+]2CCC[C@H]2C1 ZINC001336721775 977882163 /nfs/dbraw/zinc/88/21/63/977882163.db2.gz PCJNEJWSVIIOIX-KGLIPLIRSA-N 2 2 235.375 2.096 20 30 BEEDLP C[C@H](CCC#N)C[N@H+]1CCC[NH+]2CCC[C@H]2C1 ZINC001336721775 977882166 /nfs/dbraw/zinc/88/21/66/977882166.db2.gz PCJNEJWSVIIOIX-KGLIPLIRSA-N 2 2 235.375 2.096 20 30 BEEDLP C[C@H](CCC#N)C[NH+]1CCC[N@@H+]2CCC[C@H]2C1 ZINC001336721775 977882169 /nfs/dbraw/zinc/88/21/69/977882169.db2.gz PCJNEJWSVIIOIX-KGLIPLIRSA-N 2 2 235.375 2.096 20 30 BEEDLP C[C@H](CCC#N)C[NH+]1CCC[N@H+]2CCC[C@H]2C1 ZINC001336721775 977882172 /nfs/dbraw/zinc/88/21/72/977882172.db2.gz PCJNEJWSVIIOIX-KGLIPLIRSA-N 2 2 235.375 2.096 20 30 BEEDLP C[C@H](CCC#N)C[N@@H+]1CCC[NH+]2CCC[C@@H]2C1 ZINC001336721777 977883387 /nfs/dbraw/zinc/88/33/87/977883387.db2.gz PCJNEJWSVIIOIX-ZIAGYGMSSA-N 2 2 235.375 2.096 20 30 BEEDLP C[C@H](CCC#N)C[N@H+]1CCC[NH+]2CCC[C@@H]2C1 ZINC001336721777 977883393 /nfs/dbraw/zinc/88/33/93/977883393.db2.gz PCJNEJWSVIIOIX-ZIAGYGMSSA-N 2 2 235.375 2.096 20 30 BEEDLP C[C@H](CCC#N)C[NH+]1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001336721777 977883395 /nfs/dbraw/zinc/88/33/95/977883395.db2.gz PCJNEJWSVIIOIX-ZIAGYGMSSA-N 2 2 235.375 2.096 20 30 BEEDLP C[C@H](CCC#N)C[NH+]1CCC[N@H+]2CCC[C@@H]2C1 ZINC001336721777 977883398 /nfs/dbraw/zinc/88/33/98/977883398.db2.gz PCJNEJWSVIIOIX-ZIAGYGMSSA-N 2 2 235.375 2.096 20 30 BEEDLP CCCCCCCC[C@H](O)C[NH2+]CC[NH2+]CC ZINC001245994991 987281795 /nfs/dbraw/zinc/28/17/95/987281795.db2.gz QRQWGNAJXJPLMR-AWEZNQCLSA-N 2 2 244.423 2.297 20 30 BEEDLP CCCCCCC[C@@H](C)[NH2+][C@H]1C[NH2+]CCOC1 ZINC001246093250 987402695 /nfs/dbraw/zinc/40/26/95/987402695.db2.gz MSORXMNYTGCVIR-KGLIPLIRSA-N 2 2 242.407 2.313 20 30 BEEDLP CCCCCCC[C@H](CC)[NH2+][C@@H]1COC[C@@H]1[NH3+] ZINC001246121165 987469771 /nfs/dbraw/zinc/46/97/71/987469771.db2.gz KGIJCPDZMXXADD-MELADBBJSA-N 2 2 242.407 2.441 20 30 BEEDLP C[C@H]([NH2+][C@@H]1CC[C@H](C)[NH2+]C1)c1cccc(C#N)c1 ZINC001246202148 987598379 /nfs/dbraw/zinc/59/83/79/987598379.db2.gz RXGWUBMHHWPHRI-SLEUVZQESA-N 2 2 243.354 2.349 20 30 BEEDLP C[C@H]1C[C@H]([N@H+](CCC#N)C2CCCC2)CC[NH2+]1 ZINC001246767327 988454766 /nfs/dbraw/zinc/45/47/66/988454766.db2.gz BWBHJHMUNLRKHA-GXTWGEPZSA-N 2 2 235.375 2.285 20 30 BEEDLP C[C@H]1C[C@H]([N@@H+](CCC#N)C2CCCC2)CC[NH2+]1 ZINC001246767327 988454781 /nfs/dbraw/zinc/45/47/81/988454781.db2.gz BWBHJHMUNLRKHA-GXTWGEPZSA-N 2 2 235.375 2.285 20 30 BEEDLP C=CC[N@H+](Cc1cccs1)C[C@@]12C[C@@H]1C[NH2+]C2 ZINC001574933552 992945607 /nfs/dbraw/zinc/94/56/07/992945607.db2.gz WJMRKAKAQWRWBU-OCCSQVGLSA-N 2 2 248.395 2.346 20 30 BEEDLP C=CC[N@@H+](Cc1cccs1)C[C@@]12C[C@@H]1C[NH2+]C2 ZINC001574933552 992945617 /nfs/dbraw/zinc/94/56/17/992945617.db2.gz WJMRKAKAQWRWBU-OCCSQVGLSA-N 2 2 248.395 2.346 20 30 BEEDLP C=CCOc1ccccc1C[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000422906901 398157181 /nfs/dbraw/zinc/15/71/81/398157181.db2.gz KNVYNTSMQXYTAQ-KBPBESRZSA-N 2 2 246.354 2.221 20 30 BEEDLP C=C(C[NH2+][C@H]1C[NH2+]CC[C@@H]1C)c1ccccc1 ZINC000423021749 398161965 /nfs/dbraw/zinc/16/19/65/398161965.db2.gz CSTJHYGHNFMPNL-WFASDCNBSA-N 2 2 230.355 2.287 20 30 BEEDLP C=C(C)C[NH2+]Cc1c[nH+]c2c(C)cccn12 ZINC000119646265 136220770 /nfs/dbraw/zinc/22/07/70/136220770.db2.gz DLGYFIICXRPDKZ-UHFFFAOYSA-N 2 2 215.300 2.308 20 30 BEEDLP C[C@H](C[NH+]1CCCCC1)[NH2+]C[C@@H](C)CCC#N ZINC000602508634 349584131 /nfs/dbraw/zinc/58/41/31/349584131.db2.gz OJXXXLYOGUKCBN-UONOGXRCSA-N 2 2 237.391 2.390 20 30 BEEDLP C[C@H](CCC#N)C[NH2+]CC[N@@H+]1CCCC[C@H]1C ZINC000602514459 349587063 /nfs/dbraw/zinc/58/70/63/349587063.db2.gz JOPKOXZJFXAWQT-ZIAGYGMSSA-N 2 2 237.391 2.390 20 30 BEEDLP C[C@H](CCC#N)C[NH2+]CC[N@H+]1CCCC[C@H]1C ZINC000602514459 349587065 /nfs/dbraw/zinc/58/70/65/349587065.db2.gz JOPKOXZJFXAWQT-ZIAGYGMSSA-N 2 2 237.391 2.390 20 30 BEEDLP CC[N@@H+]1CCCC[C@H]1C[NH2+]C[C@H](C)CCC#N ZINC000602546328 349589704 /nfs/dbraw/zinc/58/97/04/349589704.db2.gz KGLRLOAICZGCPC-KGLIPLIRSA-N 2 2 237.391 2.390 20 30 BEEDLP CC[N@H+]1CCCC[C@H]1C[NH2+]C[C@H](C)CCC#N ZINC000602546328 349589706 /nfs/dbraw/zinc/58/97/06/349589706.db2.gz KGLRLOAICZGCPC-KGLIPLIRSA-N 2 2 237.391 2.390 20 30 BEEDLP CC[N@@H+]1CCCC[C@@H]1C[NH2+]C[C@H](C)CCC#N ZINC000602546330 349589752 /nfs/dbraw/zinc/58/97/52/349589752.db2.gz KGLRLOAICZGCPC-ZIAGYGMSSA-N 2 2 237.391 2.390 20 30 BEEDLP CC[N@H+]1CCCC[C@@H]1C[NH2+]C[C@H](C)CCC#N ZINC000602546330 349589753 /nfs/dbraw/zinc/58/97/53/349589753.db2.gz KGLRLOAICZGCPC-ZIAGYGMSSA-N 2 2 237.391 2.390 20 30 BEEDLP C=CC[NH+]1CCC([NH2+]C2CCC(C#N)CC2)CC1 ZINC000602537681 349603614 /nfs/dbraw/zinc/60/36/14/349603614.db2.gz CCQRDVAAQNIEBC-UHFFFAOYSA-N 2 2 247.386 2.309 20 30 BEEDLP C[C@@H](CCC#N)C[NH2+]CCCNc1cccc[nH+]1 ZINC000602587499 349612626 /nfs/dbraw/zinc/61/26/26/349612626.db2.gz IJMPAXFLJNDNSZ-ZDUSSCGKSA-N 2 2 246.358 2.413 20 30 BEEDLP C[C@@H](CCC#N)C[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000602653734 349660229 /nfs/dbraw/zinc/66/02/29/349660229.db2.gz OMHMMFWLVDNXJJ-LBPRGKRZSA-N 2 2 246.358 2.249 20 30 BEEDLP CCC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)CCC#N)C1 ZINC000602712138 349704786 /nfs/dbraw/zinc/70/47/86/349704786.db2.gz AGAPAOAVSGNHER-OLZOCXBDSA-N 2 2 223.364 2.000 20 30 BEEDLP CCC[N@H+]1CC[C@H]([NH2+]C[C@H](C)CCC#N)C1 ZINC000602712138 349704789 /nfs/dbraw/zinc/70/47/89/349704789.db2.gz AGAPAOAVSGNHER-OLZOCXBDSA-N 2 2 223.364 2.000 20 30 BEEDLP C[C@@H]1C[C@H]([NH+](C)CC2(CC#N)CC2)CC[N@@H+]1C ZINC000602778545 349744636 /nfs/dbraw/zinc/74/46/36/349744636.db2.gz LZOLYQDAXUHFHG-CHWSQXEVSA-N 2 2 235.375 2.095 20 30 BEEDLP C[C@@H]1C[C@H]([NH+](C)CC2(CC#N)CC2)CC[N@H+]1C ZINC000602778545 349744637 /nfs/dbraw/zinc/74/46/37/349744637.db2.gz LZOLYQDAXUHFHG-CHWSQXEVSA-N 2 2 235.375 2.095 20 30 BEEDLP C[C@@H]1C[C@H]([N@H+](C)CC2(CC#N)CC2)CC[NH+]1C ZINC000602778545 349744639 /nfs/dbraw/zinc/74/46/39/349744639.db2.gz LZOLYQDAXUHFHG-CHWSQXEVSA-N 2 2 235.375 2.095 20 30 BEEDLP C[C@@H]1C[C@H]([N@@H+](C)CC2(CC#N)CC2)CC[NH+]1C ZINC000602778545 349744640 /nfs/dbraw/zinc/74/46/40/349744640.db2.gz LZOLYQDAXUHFHG-CHWSQXEVSA-N 2 2 235.375 2.095 20 30 BEEDLP C=C(C)CC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000351872604 136260834 /nfs/dbraw/zinc/26/08/34/136260834.db2.gz DYAWBTHHIYUYCF-UHFFFAOYSA-N 2 2 219.332 2.486 20 30 BEEDLP C[C@@H](CC[NH+](C)C)[NH2+]Cc1cccc(F)c1C#N ZINC000602009163 343663661 /nfs/dbraw/zinc/66/36/61/343663661.db2.gz WPYFRYXIUJBUGR-NSHDSACASA-N 2 2 249.333 2.127 20 30 BEEDLP C=CCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000126825423 344184218 /nfs/dbraw/zinc/18/42/18/344184218.db2.gz PDFUKOMLDIOUDK-NWDGAFQWSA-N 2 2 208.349 2.167 20 30 BEEDLP C=CCC[C@H](C)[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000126825423 344184220 /nfs/dbraw/zinc/18/42/20/344184220.db2.gz PDFUKOMLDIOUDK-NWDGAFQWSA-N 2 2 208.349 2.167 20 30 BEEDLP CC[NH+]1CCC([NH2+]Cc2ccc(C#N)s2)CC1 ZINC000135671348 344841792 /nfs/dbraw/zinc/84/17/92/344841792.db2.gz BAPPKHSLEUOESF-UHFFFAOYSA-N 2 2 249.383 2.194 20 30 BEEDLP C[C@@H]1CC[N@H+](CCCCC#N)C[C@@H]1n1cc[nH+]c1 ZINC000136088360 345475030 /nfs/dbraw/zinc/47/50/30/345475030.db2.gz YLYOMJWMZUGPNS-KGLIPLIRSA-N 2 2 246.358 2.460 20 30 BEEDLP C[C@@H]1CC[N@@H+](CCCCC#N)C[C@@H]1n1cc[nH+]c1 ZINC000136088360 345475033 /nfs/dbraw/zinc/47/50/33/345475033.db2.gz YLYOMJWMZUGPNS-KGLIPLIRSA-N 2 2 246.358 2.460 20 30 BEEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cnc(C)o2)CC1 ZINC000628212211 345854099 /nfs/dbraw/zinc/85/40/99/345854099.db2.gz VQXOQPMBDCNAJX-UHFFFAOYSA-N 2 2 249.358 2.113 20 30 BEEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CC[C@H]2CC)CC1 ZINC000309703009 347145073 /nfs/dbraw/zinc/14/50/73/347145073.db2.gz NIEHOVQSWWEWJA-TZMCWYRMSA-N 2 2 222.376 2.415 20 30 BEEDLP C#CC[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000364066343 347253975 /nfs/dbraw/zinc/25/39/75/347253975.db2.gz OJGGVQQBWRKKQU-LSDHHAIUSA-N 2 2 234.387 2.206 20 30 BEEDLP C#CC[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000364066343 347253978 /nfs/dbraw/zinc/25/39/78/347253978.db2.gz OJGGVQQBWRKKQU-LSDHHAIUSA-N 2 2 234.387 2.206 20 30 BEEDLP C#CC[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000364066343 347253981 /nfs/dbraw/zinc/25/39/81/347253981.db2.gz OJGGVQQBWRKKQU-LSDHHAIUSA-N 2 2 234.387 2.206 20 30 BEEDLP C#CC[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000364066343 347253984 /nfs/dbraw/zinc/25/39/84/347253984.db2.gz OJGGVQQBWRKKQU-LSDHHAIUSA-N 2 2 234.387 2.206 20 30 BEEDLP C=CCC[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000271219169 166265722 /nfs/dbraw/zinc/26/57/22/166265722.db2.gz JUHCCYHWYKJIGW-CHWSQXEVSA-N 2 2 219.332 2.342 20 30 BEEDLP C=CCC[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000271219169 166265725 /nfs/dbraw/zinc/26/57/25/166265725.db2.gz JUHCCYHWYKJIGW-CHWSQXEVSA-N 2 2 219.332 2.342 20 30 BEEDLP CCC[NH+]1CCC([NH2+]CC2(C#N)CCC2)CC1 ZINC000591357641 347644488 /nfs/dbraw/zinc/64/44/88/347644488.db2.gz QRNMJKCLICSVOE-UHFFFAOYSA-N 2 2 235.375 2.144 20 30 BEEDLP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1cccc(C#N)c1 ZINC000591570984 347675651 /nfs/dbraw/zinc/67/56/51/347675651.db2.gz PRZDRGOBEHITAW-HUBLWGQQSA-N 2 2 243.354 2.349 20 30 BEEDLP N#C[C@@H]1CC[C@H]([NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC000594520382 348070028 /nfs/dbraw/zinc/07/00/28/348070028.db2.gz NWFABTVCTJTYEB-QPSCCSFWSA-N 2 2 247.386 2.285 20 30 BEEDLP N#C[C@@H]1CC[C@H]([NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)C1 ZINC000594520382 348070031 /nfs/dbraw/zinc/07/00/31/348070031.db2.gz NWFABTVCTJTYEB-QPSCCSFWSA-N 2 2 247.386 2.285 20 30 BEEDLP CC(C)C[C@H]([NH3+])C[NH2+]CC1(C#N)CCCCC1 ZINC000594739384 348110473 /nfs/dbraw/zinc/11/04/73/348110473.db2.gz PDBOQMDHYJEGLM-ZDUSSCGKSA-N 2 2 237.391 2.423 20 30 BEEDLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H](C#N)C2)C1 ZINC000595097589 348194496 /nfs/dbraw/zinc/19/44/96/348194496.db2.gz YISQOGXQLONCSZ-MJBXVCDLSA-N 2 2 235.375 2.143 20 30 BEEDLP CCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H](C#N)C2)C1 ZINC000595097589 348194500 /nfs/dbraw/zinc/19/45/00/348194500.db2.gz YISQOGXQLONCSZ-MJBXVCDLSA-N 2 2 235.375 2.143 20 30 BEEDLP CC[NH+](C/C=C/C[N@H+](CC)CCC#N)CCC#N ZINC000205128854 490169056 /nfs/dbraw/zinc/16/90/56/490169056.db2.gz YPJKJFXUHJWGEQ-AATRIKPKSA-N 2 2 248.374 2.014 20 30 BEEDLP CC[NH+](C/C=C/C[N@@H+](CC)CCC#N)CCC#N ZINC000205128854 490169063 /nfs/dbraw/zinc/16/90/63/490169063.db2.gz YPJKJFXUHJWGEQ-AATRIKPKSA-N 2 2 248.374 2.014 20 30 BEEDLP C=CCC[N@@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000250519015 349174921 /nfs/dbraw/zinc/17/49/21/349174921.db2.gz JVSNEWOIQGOUIK-OLZOCXBDSA-N 2 2 208.349 2.169 20 30 BEEDLP C=CCC[N@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000250519015 349174923 /nfs/dbraw/zinc/17/49/23/349174923.db2.gz JVSNEWOIQGOUIK-OLZOCXBDSA-N 2 2 208.349 2.169 20 30 BEEDLP C=CCCC[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000605150569 350261635 /nfs/dbraw/zinc/26/16/35/350261635.db2.gz ADWQNAGWWBEVDJ-ZDUSSCGKSA-N 2 2 219.332 2.486 20 30 BEEDLP C=CCCC[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000605150569 350261637 /nfs/dbraw/zinc/26/16/37/350261637.db2.gz ADWQNAGWWBEVDJ-ZDUSSCGKSA-N 2 2 219.332 2.486 20 30 BEEDLP N#C[C@H]1CC[C@H]([NH+]2CCC(n3cc[nH+]c3)CC2)C1 ZINC000278695287 351777167 /nfs/dbraw/zinc/77/71/67/351777167.db2.gz SMWYXFVUWUDKNZ-JSGCOSHPSA-N 2 2 244.342 2.212 20 30 BEEDLP N#CC1(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)CC1 ZINC000334266532 352902239 /nfs/dbraw/zinc/90/22/39/352902239.db2.gz MVBGJOXYLNWYMN-AWEZNQCLSA-N 2 2 247.386 2.240 20 30 BEEDLP N#CC1(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)CC1 ZINC000334266532 352902241 /nfs/dbraw/zinc/90/22/41/352902241.db2.gz MVBGJOXYLNWYMN-AWEZNQCLSA-N 2 2 247.386 2.240 20 30 BEEDLP C#CC[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282024115 353461028 /nfs/dbraw/zinc/46/10/28/353461028.db2.gz KLDMSEWQCGNNAV-ZDUSSCGKSA-N 2 2 243.354 2.032 20 30 BEEDLP C#CC[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282024115 353461030 /nfs/dbraw/zinc/46/10/30/353461030.db2.gz KLDMSEWQCGNNAV-ZDUSSCGKSA-N 2 2 243.354 2.032 20 30 BEEDLP C#CC[N@H+](CCn1cc[nH+]c1)Cc1ccccc1 ZINC000285704273 353540561 /nfs/dbraw/zinc/54/05/61/353540561.db2.gz OMIWQQCDHBVGQB-UHFFFAOYSA-N 2 2 239.322 2.019 20 30 BEEDLP C#CC[N@@H+](CCn1cc[nH+]c1)Cc1ccccc1 ZINC000285704273 353540562 /nfs/dbraw/zinc/54/05/62/353540562.db2.gz OMIWQQCDHBVGQB-UHFFFAOYSA-N 2 2 239.322 2.019 20 30 BEEDLP C=CC[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000285811321 353550546 /nfs/dbraw/zinc/55/05/46/353550546.db2.gz VTVOFKOODVPFQN-UHFFFAOYSA-N 2 2 222.332 2.219 20 30 BEEDLP C=CC[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000285811321 353550550 /nfs/dbraw/zinc/55/05/50/353550550.db2.gz VTVOFKOODVPFQN-UHFFFAOYSA-N 2 2 222.332 2.219 20 30 BEEDLP C=CC[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000285811321 353550552 /nfs/dbraw/zinc/55/05/52/353550552.db2.gz VTVOFKOODVPFQN-UHFFFAOYSA-N 2 2 222.332 2.219 20 30 BEEDLP C=CC[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000285811321 353550556 /nfs/dbraw/zinc/55/05/56/353550556.db2.gz VTVOFKOODVPFQN-UHFFFAOYSA-N 2 2 222.332 2.219 20 30 BEEDLP C=CCOc1ccc(C[N@H+]2CCC[C@H]([NH3+])C2)cc1 ZINC000346063607 354851745 /nfs/dbraw/zinc/85/17/45/354851745.db2.gz GZXBYLFYQRUPMG-AWEZNQCLSA-N 2 2 246.354 2.175 20 30 BEEDLP C=CCOc1ccc(C[N@@H+]2CCC[C@H]([NH3+])C2)cc1 ZINC000346063607 354851751 /nfs/dbraw/zinc/85/17/51/354851751.db2.gz GZXBYLFYQRUPMG-AWEZNQCLSA-N 2 2 246.354 2.175 20 30 BEEDLP C=CC[N@H+](Cc1cccc2[nH+]ccn21)C1CC1 ZINC000350225514 355652112 /nfs/dbraw/zinc/65/21/12/355652112.db2.gz PDPSMDFZWOLMBN-UHFFFAOYSA-N 2 2 227.311 2.485 20 30 BEEDLP C=CC[N@@H+](Cc1cccc2[nH+]ccn21)C1CC1 ZINC000350225514 355652115 /nfs/dbraw/zinc/65/21/15/355652115.db2.gz PDPSMDFZWOLMBN-UHFFFAOYSA-N 2 2 227.311 2.485 20 30 BEEDLP C[C@@H](CCC#N)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000351472183 355997309 /nfs/dbraw/zinc/99/73/09/355997309.db2.gz OVMPPKNESARORX-HZSPNIEDSA-N 2 2 246.358 2.458 20 30 BEEDLP C[C@@H](CCC#N)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000351472183 355997312 /nfs/dbraw/zinc/99/73/12/355997312.db2.gz OVMPPKNESARORX-HZSPNIEDSA-N 2 2 246.358 2.458 20 30 BEEDLP C=C(C)CC[NH+]1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000351872964 356107240 /nfs/dbraw/zinc/10/72/40/356107240.db2.gz FXEWLROLYWLMLS-UHFFFAOYSA-N 2 2 245.370 2.478 20 30 BEEDLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000420355244 192218837 /nfs/dbraw/zinc/21/88/37/192218837.db2.gz BXIMLNDMDRWDRM-JMSVASOKSA-N 2 2 243.354 2.034 20 30 BEEDLP CC[N@@H+]1CC[C@H]([NH+](C)CC2(C#N)CCC2)C[C@@H]1C ZINC000450465070 202175803 /nfs/dbraw/zinc/17/58/03/202175803.db2.gz DATVSRREWGURCN-KBPBESRZSA-N 2 2 249.402 2.485 20 30 BEEDLP CC[N@H+]1CC[C@H]([NH+](C)CC2(C#N)CCC2)C[C@@H]1C ZINC000450465070 202175805 /nfs/dbraw/zinc/17/58/05/202175805.db2.gz DATVSRREWGURCN-KBPBESRZSA-N 2 2 249.402 2.485 20 30 BEEDLP CC[NH+]1CC[C@H]([N@H+](C)CC2(C#N)CCC2)C[C@@H]1C ZINC000450465070 202175809 /nfs/dbraw/zinc/17/58/09/202175809.db2.gz DATVSRREWGURCN-KBPBESRZSA-N 2 2 249.402 2.485 20 30 BEEDLP CC[NH+]1CC[C@H]([N@@H+](C)CC2(C#N)CCC2)C[C@@H]1C ZINC000450465070 202175812 /nfs/dbraw/zinc/17/58/12/202175812.db2.gz DATVSRREWGURCN-KBPBESRZSA-N 2 2 249.402 2.485 20 30 BEEDLP CCC[NH+]1CCC([N@H+](C)CC2(C#N)CCC2)CC1 ZINC000450466130 202174634 /nfs/dbraw/zinc/17/46/34/202174634.db2.gz HTHACHWUONEDJI-UHFFFAOYSA-N 2 2 249.402 2.486 20 30 BEEDLP CCC[NH+]1CCC([N@@H+](C)CC2(C#N)CCC2)CC1 ZINC000450466130 202174638 /nfs/dbraw/zinc/17/46/38/202174638.db2.gz HTHACHWUONEDJI-UHFFFAOYSA-N 2 2 249.402 2.486 20 30 BEEDLP CC#CC[NH+]1CCC(CC)([NH+]2CCCC2)CC1 ZINC000639985577 358026189 /nfs/dbraw/zinc/02/61/89/358026189.db2.gz ASUUMNOHLQVZQJ-UHFFFAOYSA-N 2 2 234.387 2.350 20 30 BEEDLP N#CCCC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000247024408 359185605 /nfs/dbraw/zinc/18/56/05/359185605.db2.gz YCTWEEMYHMLKNT-DZGCQCFKSA-N 2 2 247.386 2.239 20 30 BEEDLP N#CCCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000247024408 359185607 /nfs/dbraw/zinc/18/56/07/359185607.db2.gz YCTWEEMYHMLKNT-DZGCQCFKSA-N 2 2 247.386 2.239 20 30 BEEDLP N#CCCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000247024408 359185611 /nfs/dbraw/zinc/18/56/11/359185611.db2.gz YCTWEEMYHMLKNT-DZGCQCFKSA-N 2 2 247.386 2.239 20 30 BEEDLP N#CCCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000247024408 359185613 /nfs/dbraw/zinc/18/56/13/359185613.db2.gz YCTWEEMYHMLKNT-DZGCQCFKSA-N 2 2 247.386 2.239 20 30 BEEDLP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1cccc(C#N)c1 ZINC000423405614 192745316 /nfs/dbraw/zinc/74/53/16/192745316.db2.gz YDXIWTUWJDJJSK-TUKIKUTGSA-N 2 2 243.354 2.479 20 30 BEEDLP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612159395 359707928 /nfs/dbraw/zinc/70/79/28/359707928.db2.gz AVICVIRNELYFFN-AWEZNQCLSA-N 2 2 246.358 2.207 20 30 BEEDLP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612159395 359707930 /nfs/dbraw/zinc/70/79/30/359707930.db2.gz AVICVIRNELYFFN-AWEZNQCLSA-N 2 2 246.358 2.207 20 30 BEEDLP C=CC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000249199168 361315181 /nfs/dbraw/zinc/31/51/81/361315181.db2.gz SCSVYTFEJLPBRN-UKRRQHHQSA-N 2 2 230.355 2.283 20 30 BEEDLP C=CC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000249199168 361315184 /nfs/dbraw/zinc/31/51/84/361315184.db2.gz SCSVYTFEJLPBRN-UKRRQHHQSA-N 2 2 230.355 2.283 20 30 BEEDLP C=CCC[C@H](C)[NH2+]C[C@H](C)[N@H+](C)C1CC1 ZINC000134919442 364418987 /nfs/dbraw/zinc/41/89/87/364418987.db2.gz AVRWMOFWDPZVOB-RYUDHWBXSA-N 2 2 210.365 2.413 20 30 BEEDLP C=CCC[C@H](C)[NH2+]C[C@H](C)[N@@H+](C)C1CC1 ZINC000134919442 364418994 /nfs/dbraw/zinc/41/89/94/364418994.db2.gz AVRWMOFWDPZVOB-RYUDHWBXSA-N 2 2 210.365 2.413 20 30 BEEDLP C[C@H](CC#N)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000068616972 370823122 /nfs/dbraw/zinc/82/31/22/370823122.db2.gz FZZUVNIVWLCIFF-GFCCVEGCSA-N 2 2 240.310 2.264 20 30 BEEDLP C=CC(C)(C)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000384874668 367748051 /nfs/dbraw/zinc/74/80/51/367748051.db2.gz RUBAOOLUYYJCET-NWDGAFQWSA-N 2 2 222.376 2.413 20 30 BEEDLP C=CC(C)(C)C[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000384874668 367748055 /nfs/dbraw/zinc/74/80/55/367748055.db2.gz RUBAOOLUYYJCET-NWDGAFQWSA-N 2 2 222.376 2.413 20 30 BEEDLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000582014054 368153606 /nfs/dbraw/zinc/15/36/06/368153606.db2.gz FYTZXJABAVZKPN-SOUVJXGZSA-N 2 2 249.402 2.389 20 30 BEEDLP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)CC#N)C[N@@H+]1C1CC1 ZINC000459726764 203342732 /nfs/dbraw/zinc/34/27/32/203342732.db2.gz FNIUBJKASYTBLG-VXGBXAGGSA-N 2 2 235.375 2.141 20 30 BEEDLP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)CC#N)C[N@H+]1C1CC1 ZINC000459726764 203342736 /nfs/dbraw/zinc/34/27/36/203342736.db2.gz FNIUBJKASYTBLG-VXGBXAGGSA-N 2 2 235.375 2.141 20 30 BEEDLP C[NH2+]C1CC[NH+](Cc2ccc(C)c(C#N)c2)CC1 ZINC000600703053 369558309 /nfs/dbraw/zinc/55/83/09/369558309.db2.gz JWGCPEXDKUQLOW-UHFFFAOYSA-N 2 2 243.354 2.051 20 30 BEEDLP Cc1ccc(C[N@@H+](C)[C@H](C[NH3+])C2CC2)cc1C#N ZINC000600709943 369559652 /nfs/dbraw/zinc/55/96/52/369559652.db2.gz LKXSVTJBSQNSAP-OAHLLOKOSA-N 2 2 243.354 2.036 20 30 BEEDLP Cc1ccc(C[N@H+](C)[C@H](C[NH3+])C2CC2)cc1C#N ZINC000600709943 369559657 /nfs/dbraw/zinc/55/96/57/369559657.db2.gz LKXSVTJBSQNSAP-OAHLLOKOSA-N 2 2 243.354 2.036 20 30 BEEDLP CC[C@@H]1C[N@H+](Cc2ccccc2C#N)CC[C@H]1[NH3+] ZINC000251868642 369979542 /nfs/dbraw/zinc/97/95/42/369979542.db2.gz UFQSZJQAMLYZFZ-IUODEOHRSA-N 2 2 243.354 2.117 20 30 BEEDLP CC[C@@H]1C[N@@H+](Cc2ccccc2C#N)CC[C@H]1[NH3+] ZINC000251868642 369979547 /nfs/dbraw/zinc/97/95/47/369979547.db2.gz UFQSZJQAMLYZFZ-IUODEOHRSA-N 2 2 243.354 2.117 20 30 BEEDLP C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@H+]2C)C1 ZINC000623786733 371092985 /nfs/dbraw/zinc/09/29/85/371092985.db2.gz GLZYHAFVFDHVOC-RDBSUJKOSA-N 2 2 222.376 2.415 20 30 BEEDLP C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2C)C1 ZINC000623786733 371092987 /nfs/dbraw/zinc/09/29/87/371092987.db2.gz GLZYHAFVFDHVOC-RDBSUJKOSA-N 2 2 222.376 2.415 20 30 BEEDLP CC[NH+]1CCC([NH2+]Cc2cc(C#N)cs2)CC1 ZINC000093492158 371174310 /nfs/dbraw/zinc/17/43/10/371174310.db2.gz WMZHSJIDICYQDX-UHFFFAOYSA-N 2 2 249.383 2.194 20 30 BEEDLP C[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccc(C#N)cc1 ZINC000041119096 374112160 /nfs/dbraw/zinc/11/21/60/374112160.db2.gz OKIISZFJYLEYEM-GFCCVEGCSA-N 2 2 240.310 2.106 20 30 BEEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)C2(C)CC2)CC1 ZINC000167403617 206143950 /nfs/dbraw/zinc/14/39/50/206143950.db2.gz TXMIZKLDGWJEEA-LBPRGKRZSA-N 2 2 222.376 2.415 20 30 BEEDLP CCC[N@H+](Cc1ccc(C#N)cc1)[C@H]1CC[NH2+]C1 ZINC000071314729 169175830 /nfs/dbraw/zinc/17/58/30/169175830.db2.gz RQVPSPJPTOOODT-HNNXBMFYSA-N 2 2 243.354 2.132 20 30 BEEDLP CCC[N@@H+](Cc1ccc(C#N)cc1)[C@H]1CC[NH2+]C1 ZINC000071314729 169175831 /nfs/dbraw/zinc/17/58/31/169175831.db2.gz RQVPSPJPTOOODT-HNNXBMFYSA-N 2 2 243.354 2.132 20 30 BEEDLP C[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc(C#N)c(F)c1 ZINC000423315558 384536293 /nfs/dbraw/zinc/53/62/93/384536293.db2.gz IZBYOWGJLASTBK-YMTOWFKASA-N 2 2 247.317 2.085 20 30 BEEDLP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000423463543 384574314 /nfs/dbraw/zinc/57/43/14/384574314.db2.gz LHOHFEFGEIGQEM-CABZTGNLSA-N 2 2 235.306 2.085 20 30 BEEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000361435184 384566767 /nfs/dbraw/zinc/56/67/67/384566767.db2.gz KDWYJZNYSYVDBK-COMQUAJESA-N 2 2 247.386 2.141 20 30 BEEDLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000361435184 384566773 /nfs/dbraw/zinc/56/67/73/384566773.db2.gz KDWYJZNYSYVDBK-COMQUAJESA-N 2 2 247.386 2.141 20 30 BEEDLP C#C[C@@H](CC)[NH2+]CCCc1c[nH+]ccc1C ZINC000310042045 384600371 /nfs/dbraw/zinc/60/03/71/384600371.db2.gz ZEFJMIOJLJOMTQ-AWEZNQCLSA-N 2 2 216.328 2.324 20 30 BEEDLP C=CCC[C@@H](C)[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000126758495 384799934 /nfs/dbraw/zinc/79/99/34/384799934.db2.gz YGTSGKUFXDIEMJ-VXGBXAGGSA-N 2 2 207.321 2.216 20 30 BEEDLP C=CCC[C@H](C)[NH2+][C@@H]1CCC[N@H+](C)[C@H]1C ZINC000308920518 385291578 /nfs/dbraw/zinc/29/15/78/385291578.db2.gz CDOSMUIPLBRDBP-RWMBFGLXSA-N 2 2 210.365 2.413 20 30 BEEDLP C=CCC[C@H](C)[NH2+][C@@H]1CCC[N@@H+](C)[C@H]1C ZINC000308920518 385291585 /nfs/dbraw/zinc/29/15/85/385291585.db2.gz CDOSMUIPLBRDBP-RWMBFGLXSA-N 2 2 210.365 2.413 20 30 BEEDLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1ccc(C#N)cc1 ZINC000181580049 385584930 /nfs/dbraw/zinc/58/49/30/385584930.db2.gz LDELQRZAKAKQLH-DOMZBBRYSA-N 2 2 243.354 2.303 20 30 BEEDLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1ccc(C#N)cc1 ZINC000181580049 385584932 /nfs/dbraw/zinc/58/49/32/385584932.db2.gz LDELQRZAKAKQLH-DOMZBBRYSA-N 2 2 243.354 2.303 20 30 BEEDLP C=CCC[C@H]([NH2+]CCc1cn(C)c[nH+]1)C1CC1 ZINC000414126392 385974643 /nfs/dbraw/zinc/97/46/43/385974643.db2.gz ONNZKEBZYGTYFU-AWEZNQCLSA-N 2 2 233.359 2.297 20 30 BEEDLP C=CC[N@@H+](Cc1ccccc1F)C[C@H]1CC[NH2+]C1 ZINC000647881583 386215588 /nfs/dbraw/zinc/21/55/88/386215588.db2.gz NYCGFJMAQWKECA-ZDUSSCGKSA-N 2 2 248.345 2.423 20 30 BEEDLP C=CC[N@H+](Cc1ccccc1F)C[C@H]1CC[NH2+]C1 ZINC000647881583 386215591 /nfs/dbraw/zinc/21/55/91/386215591.db2.gz NYCGFJMAQWKECA-ZDUSSCGKSA-N 2 2 248.345 2.423 20 30 BEEDLP N#C[C@@H]1CC[C@H]([NH2+]CC[NH+]2CCCCCC2)C1 ZINC000442705563 386507981 /nfs/dbraw/zinc/50/79/81/386507981.db2.gz BRHGOQYPOCXOOU-KGLIPLIRSA-N 2 2 235.375 2.144 20 30 BEEDLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CC(C)(C)CCC#N ZINC000344898434 386795641 /nfs/dbraw/zinc/79/56/41/386795641.db2.gz RFZBZLXGLRWMPN-JSGCOSHPSA-N 2 2 249.402 2.389 20 30 BEEDLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CC(C)(C)CCC#N ZINC000344898434 386795648 /nfs/dbraw/zinc/79/56/48/386795648.db2.gz RFZBZLXGLRWMPN-JSGCOSHPSA-N 2 2 249.402 2.389 20 30 BEEDLP CC1(C)CCC[N@H+](CC[NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC000442862974 386800285 /nfs/dbraw/zinc/80/02/85/386800285.db2.gz WJCGVFICGAPVRT-UONOGXRCSA-N 2 2 249.402 2.390 20 30 BEEDLP CC1(C)CCC[N@@H+](CC[NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC000442862974 386800298 /nfs/dbraw/zinc/80/02/98/386800298.db2.gz WJCGVFICGAPVRT-UONOGXRCSA-N 2 2 249.402 2.390 20 30 BEEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CC[C@@H]2SC)CC1 ZINC000425339739 386838608 /nfs/dbraw/zinc/83/86/08/386838608.db2.gz CWRNSGPPCNGLGW-OLZOCXBDSA-N 2 2 240.416 2.120 20 30 BEEDLP CC[NH+](CC)CC[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000192595378 386996453 /nfs/dbraw/zinc/99/64/53/386996453.db2.gz ZSQSCUSAHTXPDS-QWHCGFSZSA-N 2 2 223.364 2.000 20 30 BEEDLP C=C(C)C[NH2+]Cc1cccc2[nH+]ccn21 ZINC000189053509 387274980 /nfs/dbraw/zinc/27/49/80/387274980.db2.gz ZSOCAGMVTLDXAH-UHFFFAOYSA-N 2 2 201.273 2.000 20 30 BEEDLP C#CC[N@@H+](CC)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000266882466 387404556 /nfs/dbraw/zinc/40/45/56/387404556.db2.gz ALECVBTZDSQRAL-UHFFFAOYSA-N 2 2 239.322 2.327 20 30 BEEDLP C#CC[N@H+](CC)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000266882466 387404560 /nfs/dbraw/zinc/40/45/60/387404560.db2.gz ALECVBTZDSQRAL-UHFFFAOYSA-N 2 2 239.322 2.327 20 30 BEEDLP C=CCC[C@H]([NH2+]C[C@@H](C)[NH3+])c1ccco1 ZINC000643527211 387763088 /nfs/dbraw/zinc/76/30/88/387763088.db2.gz KSKDMQJOWCNTMR-MNOVXSKESA-N 2 2 208.305 2.224 20 30 BEEDLP N#C[C@@H]1CC[C@@H]([NH2+][C@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000442792504 387842020 /nfs/dbraw/zinc/84/20/20/387842020.db2.gz QHKAHXLGCAIREW-MCIONIFRSA-N 2 2 247.386 2.285 20 30 BEEDLP N#C[C@@H]1CC[C@@H]([NH2+][C@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000442792504 387842023 /nfs/dbraw/zinc/84/20/23/387842023.db2.gz QHKAHXLGCAIREW-MCIONIFRSA-N 2 2 247.386 2.285 20 30 BEEDLP N#CCC1(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000423096446 387885497 /nfs/dbraw/zinc/88/54/97/387885497.db2.gz OVOCAJXHSBGBFB-UONOGXRCSA-N 2 2 241.338 2.415 20 30 BEEDLP C[C@@H]1CC[N@H+](CCCC#N)C[C@H]1n1cc[nH+]c1 ZINC000246306593 388030503 /nfs/dbraw/zinc/03/05/03/388030503.db2.gz QGQGXFQNKHMABN-CHWSQXEVSA-N 2 2 232.331 2.070 20 30 BEEDLP C[C@@H]1CC[N@@H+](CCCC#N)C[C@H]1n1cc[nH+]c1 ZINC000246306593 388030506 /nfs/dbraw/zinc/03/05/06/388030506.db2.gz QGQGXFQNKHMABN-CHWSQXEVSA-N 2 2 232.331 2.070 20 30 BEEDLP C[C@H](Cn1cc[nH+]c1)[NH2+]C1CCC(C)(C#N)CC1 ZINC000449071651 388138804 /nfs/dbraw/zinc/13/88/04/388138804.db2.gz BXOQUUVZTOBRHD-IYXRBSQSSA-N 2 2 246.358 2.334 20 30 BEEDLP C[C@@H](Cn1cc[nH+]c1)[NH2+]C1CCC(C)(C#N)CC1 ZINC000449071650 388138857 /nfs/dbraw/zinc/13/88/57/388138857.db2.gz BXOQUUVZTOBRHD-HSBZDZAISA-N 2 2 246.358 2.334 20 30 BEEDLP C=CCC[C@@H](C)[NH2+]CC1([NH+](C)C)CCC1 ZINC000165151320 388251051 /nfs/dbraw/zinc/25/10/51/388251051.db2.gz VXTMTELGRWFZCB-GFCCVEGCSA-N 2 2 210.365 2.415 20 30 BEEDLP C#C[C@H](CC)[NH2+]Cc1c[nH+]c2c(C)cccn12 ZINC000491665264 388309526 /nfs/dbraw/zinc/30/95/26/388309526.db2.gz RRBNSZGIRKORQL-GFCCVEGCSA-N 2 2 227.311 2.144 20 30 BEEDLP C=CCC[C@@H](CC)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000154608008 388634242 /nfs/dbraw/zinc/63/42/42/388634242.db2.gz QCQUIKGAZACIEJ-OLZOCXBDSA-N 2 2 210.365 2.415 20 30 BEEDLP C=CCC[C@@H](CC)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000154608008 388634245 /nfs/dbraw/zinc/63/42/45/388634245.db2.gz QCQUIKGAZACIEJ-OLZOCXBDSA-N 2 2 210.365 2.415 20 30 BEEDLP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000063191725 388659665 /nfs/dbraw/zinc/65/96/65/388659665.db2.gz XVRSTOJMUBGRSL-DOMZBBRYSA-N 2 2 243.354 2.260 20 30 BEEDLP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1 ZINC000063191725 388659666 /nfs/dbraw/zinc/65/96/66/388659666.db2.gz XVRSTOJMUBGRSL-DOMZBBRYSA-N 2 2 243.354 2.260 20 30 BEEDLP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1Cc1cccc(C#N)c1 ZINC000063191707 388659742 /nfs/dbraw/zinc/65/97/42/388659742.db2.gz LEZNUOQMVKRVSK-DOMZBBRYSA-N 2 2 243.354 2.260 20 30 BEEDLP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1Cc1cccc(C#N)c1 ZINC000063191707 388659745 /nfs/dbraw/zinc/65/97/45/388659745.db2.gz LEZNUOQMVKRVSK-DOMZBBRYSA-N 2 2 243.354 2.260 20 30 BEEDLP C[C@H]([NH2+]CC(C)(C)[NH3+])c1ccc(C#N)cc1F ZINC000423288820 388690135 /nfs/dbraw/zinc/69/01/35/388690135.db2.gz VGCVJDYZTFONLI-VIFPVBQESA-N 2 2 235.306 2.085 20 30 BEEDLP CC[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1ccc(C#N)cc1 ZINC000423244049 388690204 /nfs/dbraw/zinc/69/02/04/388690204.db2.gz XDIYELUUCCUARQ-LSDHHAIUSA-N 2 2 243.354 2.351 20 30 BEEDLP C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC000125536967 388789831 /nfs/dbraw/zinc/78/98/31/388789831.db2.gz FGBVIBXKGZKXKD-NSHDSACASA-N 2 2 249.383 2.003 20 30 BEEDLP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC000125536967 388789833 /nfs/dbraw/zinc/78/98/33/388789833.db2.gz FGBVIBXKGZKXKD-NSHDSACASA-N 2 2 249.383 2.003 20 30 BEEDLP N#C[C@H]1CC[C@@H]([NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000331484997 134000601 /nfs/dbraw/zinc/00/06/01/134000601.db2.gz AHFJQVPVFMCKHT-IDTSFGKNSA-N 2 2 241.338 2.413 20 30 BEEDLP C=CC[N@H+]1CCC[C@@H]1CNc1cccc(C)[nH+]1 ZINC000369899864 134223269 /nfs/dbraw/zinc/22/32/69/134223269.db2.gz KLWZSPRDLSBHGA-CYBMUJFWSA-N 2 2 231.343 2.452 20 30 BEEDLP C=CC[N@@H+]1CCC[C@@H]1CNc1cccc(C)[nH+]1 ZINC000369899864 134223270 /nfs/dbraw/zinc/22/32/70/134223270.db2.gz KLWZSPRDLSBHGA-CYBMUJFWSA-N 2 2 231.343 2.452 20 30 BEEDLP C=C(Cl)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000377395766 134244032 /nfs/dbraw/zinc/24/40/32/134244032.db2.gz AGJQBVBSGNXKNS-FOSCPWQOSA-N 2 2 228.767 2.296 20 30 BEEDLP C=C(Cl)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000377395766 134244033 /nfs/dbraw/zinc/24/40/33/134244033.db2.gz AGJQBVBSGNXKNS-FOSCPWQOSA-N 2 2 228.767 2.296 20 30 BEEDLP C=C(Cl)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000377395766 134244034 /nfs/dbraw/zinc/24/40/34/134244034.db2.gz AGJQBVBSGNXKNS-FOSCPWQOSA-N 2 2 228.767 2.296 20 30 BEEDLP C=C(Cl)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000377395766 134244035 /nfs/dbraw/zinc/24/40/35/134244035.db2.gz AGJQBVBSGNXKNS-FOSCPWQOSA-N 2 2 228.767 2.296 20 30 BEEDLP C=CC[NH+]1CCC([NH2+][C@H](C)CCCOC)CC1 ZINC000177911538 134301583 /nfs/dbraw/zinc/30/15/83/134301583.db2.gz MHQHEXYLPQIMDC-CYBMUJFWSA-N 2 2 240.391 2.042 20 30 BEEDLP C[C@@H]1CCC[N@H+](CC[NH2+][C@@H]2CCC[C@H](C#N)C2)C1 ZINC000185779290 134394685 /nfs/dbraw/zinc/39/46/85/134394685.db2.gz NHQHCLHVXSGTRO-QLFBSQMISA-N 2 2 249.402 2.390 20 30 BEEDLP C[C@@H]1CCC[N@@H+](CC[NH2+][C@@H]2CCC[C@H](C#N)C2)C1 ZINC000185779290 134394687 /nfs/dbraw/zinc/39/46/87/134394687.db2.gz NHQHCLHVXSGTRO-QLFBSQMISA-N 2 2 249.402 2.390 20 30 BEEDLP C=CCC[NH+]1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000338544151 135039564 /nfs/dbraw/zinc/03/95/64/135039564.db2.gz LNVPZRLSDIVQQK-UHFFFAOYSA-N 2 2 231.343 2.088 20 30 BEEDLP C=CCC[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000338570718 135040569 /nfs/dbraw/zinc/04/05/69/135040569.db2.gz UHZXQUWNQNBMRP-UHFFFAOYSA-N 2 2 205.305 2.165 20 30 BEEDLP N#CCCCC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000267464596 135154758 /nfs/dbraw/zinc/15/47/58/135154758.db2.gz WBFZMCNEHFWSIR-LBPRGKRZSA-N 2 2 232.331 2.283 20 30 BEEDLP N#CCCCC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000267464596 135154759 /nfs/dbraw/zinc/15/47/59/135154759.db2.gz WBFZMCNEHFWSIR-LBPRGKRZSA-N 2 2 232.331 2.283 20 30 BEEDLP C[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2)[C@H](C[NH3+])C1 ZINC000261549108 135187713 /nfs/dbraw/zinc/18/77/13/135187713.db2.gz GZMZCMJNYMOFDR-DOMZBBRYSA-N 2 2 243.354 2.117 20 30 BEEDLP C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2)[C@H](C[NH3+])C1 ZINC000261549108 135187715 /nfs/dbraw/zinc/18/77/15/135187715.db2.gz GZMZCMJNYMOFDR-DOMZBBRYSA-N 2 2 243.354 2.117 20 30 BEEDLP C=CC[NH2+][C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000284342812 135371929 /nfs/dbraw/zinc/37/19/29/135371929.db2.gz RGYKNRRHZZGGBE-UONOGXRCSA-N 2 2 216.328 2.207 20 30 BEEDLP C=CC[NH2+][C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000284342812 135371931 /nfs/dbraw/zinc/37/19/31/135371931.db2.gz RGYKNRRHZZGGBE-UONOGXRCSA-N 2 2 216.328 2.207 20 30 BEEDLP N#CCC[N@H+](CCC[NH+]1CCCCC1)CC1CC1 ZINC000161391446 398065127 /nfs/dbraw/zinc/06/51/27/398065127.db2.gz XODUUJXBJQCICA-UHFFFAOYSA-N 2 2 249.402 2.488 20 30 BEEDLP N#CCC[N@@H+](CCC[NH+]1CCCCC1)CC1CC1 ZINC000161391446 398065134 /nfs/dbraw/zinc/06/51/34/398065134.db2.gz XODUUJXBJQCICA-UHFFFAOYSA-N 2 2 249.402 2.488 20 30 BEEDLP C#C[C@@H](CC)[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000310034680 398052570 /nfs/dbraw/zinc/05/25/70/398052570.db2.gz SNLQJPALUOAIRN-AWEZNQCLSA-N 2 2 216.328 2.324 20 30 BEEDLP C=CCC[C@@H](C)[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000308893225 410066030 /nfs/dbraw/zinc/06/60/30/410066030.db2.gz YKNAULZOJXEKPU-QWHCGFSZSA-N 2 2 210.365 2.273 20 30 BEEDLP C=CCC[C@@H](C)[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000308893225 410066037 /nfs/dbraw/zinc/06/60/37/410066037.db2.gz YKNAULZOJXEKPU-QWHCGFSZSA-N 2 2 210.365 2.273 20 30 BEEDLP C=CC[C@@H]1CC[C@@H]([NH2+][C@@H]2CCC[N@@H+](C)C2)C1 ZINC000651685029 411136063 /nfs/dbraw/zinc/13/60/63/411136063.db2.gz GRCIVNBIXRHKAX-MGPQQGTHSA-N 2 2 222.376 2.415 20 30 BEEDLP C=CC[C@@H]1CC[C@@H]([NH2+][C@@H]2CCC[N@H+](C)C2)C1 ZINC000651685029 411136064 /nfs/dbraw/zinc/13/60/64/411136064.db2.gz GRCIVNBIXRHKAX-MGPQQGTHSA-N 2 2 222.376 2.415 20 30 BEEDLP C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H](C)[NH+](C)C)C1 ZINC000651752092 411141806 /nfs/dbraw/zinc/14/18/06/411141806.db2.gz UMKSHBCKCIXKEM-UPJWGTAASA-N 2 2 210.365 2.271 20 30 BEEDLP CCC[NH+]1CCC([NH2+][C@H](CC)CC#N)CC1 ZINC000049555373 411240199 /nfs/dbraw/zinc/24/01/99/411240199.db2.gz TXEKOJXOKWOEFN-GFCCVEGCSA-N 2 2 223.364 2.143 20 30 BEEDLP C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CCn1cc[nH+]c1 ZINC000662087936 411982339 /nfs/dbraw/zinc/98/23/39/411982339.db2.gz QBSALHGDWHVVRJ-BETUJISGSA-N 2 2 217.316 2.066 20 30 BEEDLP C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCn1cc[nH+]c1 ZINC000662087936 411982342 /nfs/dbraw/zinc/98/23/42/411982342.db2.gz QBSALHGDWHVVRJ-BETUJISGSA-N 2 2 217.316 2.066 20 30 BEEDLP C=C(C)CC[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000681402599 487792635 /nfs/dbraw/zinc/79/26/35/487792635.db2.gz OZFOFNRYQRSEBE-CYBMUJFWSA-N 2 2 219.332 2.486 20 30 BEEDLP C=C(C)CC[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000681402599 487792638 /nfs/dbraw/zinc/79/26/38/487792638.db2.gz OZFOFNRYQRSEBE-CYBMUJFWSA-N 2 2 219.332 2.486 20 30 BEEDLP C=CCCCCC[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000563638648 323133248 /nfs/dbraw/zinc/13/32/48/323133248.db2.gz RWIHDGZVGCABOB-QWHCGFSZSA-N 2 2 210.365 2.273 20 30 BEEDLP C=CCCCCC[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000563638648 323133249 /nfs/dbraw/zinc/13/32/49/323133249.db2.gz RWIHDGZVGCABOB-QWHCGFSZSA-N 2 2 210.365 2.273 20 30 BEEDLP C=CC[C@@H](CC)[NH2+]Cc1c[nH+]c(C)n1C ZINC000565843364 325964659 /nfs/dbraw/zinc/96/46/59/325964659.db2.gz MJDQTUINBPQFMD-LLVKDONJSA-N 2 2 207.321 2.173 20 30 BEEDLP CCC#C[C@@H](C)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000677480516 488050071 /nfs/dbraw/zinc/05/00/71/488050071.db2.gz YQTSEIDEEQFBRD-CYBMUJFWSA-N 2 2 231.343 2.322 20 30 BEEDLP C=CCC[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000658115287 487547738 /nfs/dbraw/zinc/54/77/38/487547738.db2.gz ALZFKGWISCMUJE-UHFFFAOYSA-N 2 2 245.370 2.212 20 30 BEEDLP C=CC[C@H](CO)C[NH2+]CCCc1c[nH+]ccc1C ZINC000348134176 534395278 /nfs/dbraw/zinc/39/52/78/534395278.db2.gz FZXUFKYLELIDNC-AWEZNQCLSA-N 2 2 248.370 2.097 20 30 BEEDLP C[C@H]1CCCCN1[NH+]=Cc1c[nH+]ccc1N(C)C ZINC000853378632 588738927 /nfs/dbraw/zinc/73/89/27/588738927.db2.gz AGHNNCMAGLFUDN-LBPRGKRZSA-N 2 2 246.358 2.356 20 30 BEEDLP C[NH+](C)C[C@@H]1CC[N@H+](Cc2csc(C#N)c2)C1 ZINC000892033260 582767481 /nfs/dbraw/zinc/76/74/81/582767481.db2.gz DHVUKUOGNQYNIS-NSHDSACASA-N 2 2 249.383 2.003 20 30 BEEDLP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2csc(C#N)c2)C1 ZINC000892033260 582767483 /nfs/dbraw/zinc/76/74/83/582767483.db2.gz DHVUKUOGNQYNIS-NSHDSACASA-N 2 2 249.383 2.003 20 30 BEEDLP C=C(Cl)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000729932352 584030557 /nfs/dbraw/zinc/03/05/57/584030557.db2.gz ZGUIBWMMCUWENV-NSHDSACASA-N 2 2 225.723 2.273 20 30 BEEDLP C=C(Cl)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000729932352 584030558 /nfs/dbraw/zinc/03/05/58/584030558.db2.gz ZGUIBWMMCUWENV-NSHDSACASA-N 2 2 225.723 2.273 20 30 BEEDLP C[C@@H]([NH2+][C@H]1C[NH2+]CC1(C)C)c1cccc(C#N)c1 ZINC000902448151 584604592 /nfs/dbraw/zinc/60/45/92/584604592.db2.gz CZRQPZJNUTXJLS-RISCZKNCSA-N 2 2 243.354 2.207 20 30 BEEDLP C=CCCC[N@H+]1CCC[C@@H]2CC[C@@]21C[NH3+] ZINC000903800101 584801738 /nfs/dbraw/zinc/80/17/38/584801738.db2.gz UJCXPYFWUOEZOJ-CHWSQXEVSA-N 2 2 208.349 2.156 20 30 BEEDLP C=CCCC[N@@H+]1CCC[C@@H]2CC[C@@]21C[NH3+] ZINC000903800101 584801739 /nfs/dbraw/zinc/80/17/39/584801739.db2.gz UJCXPYFWUOEZOJ-CHWSQXEVSA-N 2 2 208.349 2.156 20 30 BEEDLP C#CCCC[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000784570438 585863808 /nfs/dbraw/zinc/86/38/08/585863808.db2.gz KJPFCPOZTKNKAH-UHFFFAOYSA-N 2 2 245.351 2.437 20 30 BEEDLP CC[N@@H+]1CC[C@@H]([NH2+]CC2(C#N)CCC2)[C@@H](C)C1 ZINC000841898942 587982462 /nfs/dbraw/zinc/98/24/62/587982462.db2.gz QRORIJFJLZKRGU-QWHCGFSZSA-N 2 2 235.375 2.000 20 30 BEEDLP CC[N@H+]1CC[C@@H]([NH2+]CC2(C#N)CCC2)[C@@H](C)C1 ZINC000841898942 587982463 /nfs/dbraw/zinc/98/24/63/587982463.db2.gz QRORIJFJLZKRGU-QWHCGFSZSA-N 2 2 235.375 2.000 20 30 BEEDLP C=C(C)CO[NH+]=Cc1c[nH+]ccc1N(C)C ZINC000844618595 588208488 /nfs/dbraw/zinc/20/84/88/588208488.db2.gz XPQOKLIGMXCOEX-UHFFFAOYSA-N 2 2 219.288 2.074 20 30 BEEDLP C[C@H](CCC#N)C[NH2+]C[C@@H](C)[NH+]1CCCCC1 ZINC000876956598 590260867 /nfs/dbraw/zinc/26/08/67/590260867.db2.gz LPFYTJXRSHTTBZ-ZIAGYGMSSA-N 2 2 237.391 2.390 20 30 BEEDLP C=CC[C@@H](C)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000878058942 590484221 /nfs/dbraw/zinc/48/42/21/590484221.db2.gz DVVVRRLAZWUBHA-OLZOCXBDSA-N 2 2 219.332 2.485 20 30 BEEDLP C=CC[C@@H](C)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000878058942 590484223 /nfs/dbraw/zinc/48/42/23/590484223.db2.gz DVVVRRLAZWUBHA-OLZOCXBDSA-N 2 2 219.332 2.485 20 30 BEEDLP C=CC[C@@H](C)[NH+]1CCN(c2c[nH+]ccc2C)CC1 ZINC000878550875 590590513 /nfs/dbraw/zinc/59/05/13/590590513.db2.gz GOMNRAHMLKAMJQ-CQSZACIVSA-N 2 2 245.370 2.477 20 30 BEEDLP C#CCC[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880568787 591098220 /nfs/dbraw/zinc/09/82/20/591098220.db2.gz CQUFLRFTCSLDJL-OAHLLOKOSA-N 2 2 239.322 2.237 20 30 BEEDLP C=CCOCCC[NH2+][C@@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925709793 634406639 /nfs/dbraw/zinc/40/66/39/634406639.db2.gz OLOSYSWFVNNYIY-UKRRQHHQSA-N 2 2 248.370 2.257 20 30 BEEDLP C=CCC[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000926684654 632819904 /nfs/dbraw/zinc/81/99/04/632819904.db2.gz HVSWOFOFPNHAHH-OLZOCXBDSA-N 2 2 208.349 2.169 20 30 BEEDLP C=CCC[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000926684654 632819906 /nfs/dbraw/zinc/81/99/06/632819906.db2.gz HVSWOFOFPNHAHH-OLZOCXBDSA-N 2 2 208.349 2.169 20 30 BEEDLP CC[C@H]([NH2+][C@@H]1C[NH2+]C[C@H]1C)c1ccc(C#N)cc1 ZINC000925782135 635277701 /nfs/dbraw/zinc/27/77/01/635277701.db2.gz DEJBHICUZBDOJU-BYCMXARLSA-N 2 2 243.354 2.207 20 30 BEEDLP C[N@H+](Cc1cc(C#N)cs1)C[C@]1(C)CC[NH2+]C1 ZINC000904469005 637424164 /nfs/dbraw/zinc/42/41/64/637424164.db2.gz HTBNTRAWUZPEPM-CYBMUJFWSA-N 2 2 249.383 2.051 20 30 BEEDLP C[N@@H+](Cc1cc(C#N)cs1)C[C@]1(C)CC[NH2+]C1 ZINC000904469005 637424170 /nfs/dbraw/zinc/42/41/70/637424170.db2.gz HTBNTRAWUZPEPM-CYBMUJFWSA-N 2 2 249.383 2.051 20 30 BEEDLP Cc1[nH+]ccn1CC[N@@H+](CCC#N)CC(C)C ZINC000043419731 638310421 /nfs/dbraw/zinc/31/04/21/638310421.db2.gz JWGUSDGFNPFYKL-UHFFFAOYSA-N 2 2 234.347 2.063 20 30 BEEDLP Cc1[nH+]ccn1CC[N@H+](CCC#N)CC(C)C ZINC000043419731 638310431 /nfs/dbraw/zinc/31/04/31/638310431.db2.gz JWGUSDGFNPFYKL-UHFFFAOYSA-N 2 2 234.347 2.063 20 30 BEEDLP C[C@H](CC(C)(C)C#N)[NH2+]CCCn1cc[nH+]c1 ZINC000924534591 646052679 /nfs/dbraw/zinc/05/26/79/646052679.db2.gz RAIVYIMWKURDLT-GFCCVEGCSA-N 2 2 234.347 2.191 20 30 BEEDLP C=C[C@H](C)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000925258267 646223642 /nfs/dbraw/zinc/22/36/42/646223642.db2.gz UBKSCMBKXDBIQA-XQQFMLRXSA-N 2 2 208.349 2.167 20 30 BEEDLP C=C[C@H](C)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000925258267 646223651 /nfs/dbraw/zinc/22/36/51/646223651.db2.gz UBKSCMBKXDBIQA-XQQFMLRXSA-N 2 2 208.349 2.167 20 30 BEEDLP Cc1ccc(C[NH2+][C@@H]2CC[NH2+]C2(C)C)cc1C#N ZINC000925838609 646506368 /nfs/dbraw/zinc/50/63/68/646506368.db2.gz MHVDVTYZXOURPR-CQSZACIVSA-N 2 2 243.354 2.097 20 30 BEEDLP CC[N@H+]1C[C@H]([NH2+][C@@H](C)CC(C)(C)C#N)[C@@H](C)C1 ZINC000925929211 646543934 /nfs/dbraw/zinc/54/39/34/646543934.db2.gz KPLYUFQQIKFXGF-AVGNSLFASA-N 2 2 237.391 2.245 20 30 BEEDLP CC[N@@H+]1C[C@H]([NH2+][C@@H](C)CC(C)(C)C#N)[C@@H](C)C1 ZINC000925929211 646543937 /nfs/dbraw/zinc/54/39/37/646543937.db2.gz KPLYUFQQIKFXGF-AVGNSLFASA-N 2 2 237.391 2.245 20 30 BEEDLP C[C@H](CC(C)(C)C#N)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000926449361 646642308 /nfs/dbraw/zinc/64/23/08/646642308.db2.gz FSEPTMPCYJNZOV-MNOVXSKESA-N 2 2 246.358 2.185 20 30 BEEDLP C#CCCCCC[NH+]1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000720433305 712842411 /nfs/dbraw/zinc/84/24/11/712842411.db2.gz PNXFCICQIHJMIL-LSDHHAIUSA-N 2 2 234.387 2.349 20 30 BEEDLP C#CCCCCC[NH+]1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000720433305 712842413 /nfs/dbraw/zinc/84/24/13/712842413.db2.gz PNXFCICQIHJMIL-LSDHHAIUSA-N 2 2 234.387 2.349 20 30 BEEDLP C#CCCCCC[N@H+]1CC[C@H]2[C@H]1CCC[NH+]2C ZINC000720433305 712842416 /nfs/dbraw/zinc/84/24/16/712842416.db2.gz PNXFCICQIHJMIL-LSDHHAIUSA-N 2 2 234.387 2.349 20 30 BEEDLP C#CCCCCC[N@@H+]1CC[C@H]2[C@H]1CCC[NH+]2C ZINC000720433305 712842417 /nfs/dbraw/zinc/84/24/17/712842417.db2.gz PNXFCICQIHJMIL-LSDHHAIUSA-N 2 2 234.387 2.349 20 30 BEEDLP C=CC[NH+]1CCC([NH2+][C@H]2CC[C@H]2C)CC1 ZINC000380253025 712846380 /nfs/dbraw/zinc/84/63/80/712846380.db2.gz PQTJWYRBRDFSMH-YPMHNXCESA-N 2 2 208.349 2.025 20 30 BEEDLP CCCCCCCCC[N@@H+]1C[C@H]([NH3+])C[C@H](O)C1 ZINC001204958018 967256611 /nfs/dbraw/zinc/25/66/11/967256611.db2.gz UYHZLLNKXMCBNA-KGLIPLIRSA-N 2 2 242.407 2.131 20 30 BEEDLP CCCCCCCCC[N@H+]1C[C@H]([NH3+])C[C@H](O)C1 ZINC001204958018 967256622 /nfs/dbraw/zinc/25/66/22/967256622.db2.gz UYHZLLNKXMCBNA-KGLIPLIRSA-N 2 2 242.407 2.131 20 30 BEEDLP CC[C@@H](CC#N)[NH2+][C@@H](C)CC[NH+](CC)CC ZINC001255946528 970582370 /nfs/dbraw/zinc/58/23/70/970582370.db2.gz AQLUZZFJYMRFNF-STQMWFEESA-N 2 2 225.380 2.389 20 30 BEEDLP C[C@@H](CCCC#N)[NH2+]CC[NH+]1CCC(C)CC1 ZINC001172476656 974775287 /nfs/dbraw/zinc/77/52/87/974775287.db2.gz PLKDFYDOCVISRH-AWEZNQCLSA-N 2 2 237.391 2.390 20 30 BEEDLP CCCCCCC[C@H](C)[NH2+][C@@H]1COC[C@@H]1[NH3+] ZINC001246120390 972181740 /nfs/dbraw/zinc/18/17/40/972181740.db2.gz HHRVLKZGIJSURJ-RWMBFGLXSA-N 2 2 228.380 2.051 20 30 BEEDLP C#CCCC[N@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001209268168 957377455 /nfs/dbraw/zinc/37/74/55/957377455.db2.gz VVTPEQPHNRZMGC-CQSZACIVSA-N 2 2 244.338 2.257 20 30 BEEDLP C#CCCC[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001209268168 957377467 /nfs/dbraw/zinc/37/74/67/957377467.db2.gz VVTPEQPHNRZMGC-CQSZACIVSA-N 2 2 244.338 2.257 20 30 BEEDLP C#CC1([NH2+][C@H]2CC[C@H](C)[NH2+]C2)CCCCC1 ZINC001246461577 972338123 /nfs/dbraw/zinc/33/81/23/972338123.db2.gz DJMUVSHZSIVQPM-STQMWFEESA-N 2 2 220.360 2.053 20 30 BEEDLP C[C@]1(C#N)CC[N@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140805576 960606556 /nfs/dbraw/zinc/60/65/56/960606556.db2.gz JLRWZNHSJHYBFO-CQSZACIVSA-N 2 2 240.310 2.298 20 30 BEEDLP C[C@]1(C#N)CC[N@@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140805576 960606563 /nfs/dbraw/zinc/60/65/63/960606563.db2.gz JLRWZNHSJHYBFO-CQSZACIVSA-N 2 2 240.310 2.298 20 30 BEEDLP CC[NH+](CC)C1CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC001254670018 1169817674 /nfs/dbraw/zinc/81/76/74/1169817674.db2.gz YBOHZSDLVMNQJP-DZGCQCFKSA-N 2 2 249.402 2.485 20 30 BEEDLP CCCCCCCCC[N@@H+]1C[C@@H]([NH3+])C[C@H](O)C1 ZINC001204958013 967254414 /nfs/dbraw/zinc/25/44/14/967254414.db2.gz UYHZLLNKXMCBNA-KBPBESRZSA-N 2 2 242.407 2.131 20 30 BEEDLP CCCCCCCCC[N@H+]1C[C@@H]([NH3+])C[C@H](O)C1 ZINC001204958013 967254423 /nfs/dbraw/zinc/25/44/23/967254423.db2.gz UYHZLLNKXMCBNA-KBPBESRZSA-N 2 2 242.407 2.131 20 30 BEEDLP C#Cc1cccc(C[N@@H+]2C[C@H](C)CC[C@H]2C[NH3+])c1 ZINC001205828773 967841530 /nfs/dbraw/zinc/84/15/30/967841530.db2.gz MYUDZGPUAUUYBS-CJNGLKHVSA-N 2 2 242.366 2.227 20 30 BEEDLP C#Cc1cccc(C[N@H+]2C[C@H](C)CC[C@H]2C[NH3+])c1 ZINC001205828773 967841531 /nfs/dbraw/zinc/84/15/31/967841531.db2.gz MYUDZGPUAUUYBS-CJNGLKHVSA-N 2 2 242.366 2.227 20 30 BEEDLP C=CCCC[N@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001206337749 968235212 /nfs/dbraw/zinc/23/52/12/968235212.db2.gz WIDGYPCCNDIQKL-LBPRGKRZSA-N 2 2 214.328 2.106 20 30 BEEDLP C=CCCC[N@@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001206337749 968235223 /nfs/dbraw/zinc/23/52/23/968235223.db2.gz WIDGYPCCNDIQKL-LBPRGKRZSA-N 2 2 214.328 2.106 20 30 BEEDLP C=C(C)c1ccn2c[nH+]c(C3C[NH2+]C3)c2c1 ZINC001240835128 968741074 /nfs/dbraw/zinc/74/10/74/968741074.db2.gz RBRURONZCRKYLQ-UHFFFAOYSA-N 2 2 213.284 2.054 20 30 BEEDLP C=CCCCC[NH+]1C[C@@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001209207023 969394224 /nfs/dbraw/zinc/39/42/24/969394224.db2.gz ICLLASAOXYVFBT-UONOGXRCSA-N 2 2 222.376 2.369 20 30 BEEDLP C=CCCCC[NH+]1C[C@@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001209207023 969394235 /nfs/dbraw/zinc/39/42/35/969394235.db2.gz ICLLASAOXYVFBT-UONOGXRCSA-N 2 2 222.376 2.369 20 30 BEEDLP C=CCCCC[N@H+]1C[C@@H]2CCC[NH+](C)[C@@H]2C1 ZINC001209207023 969394243 /nfs/dbraw/zinc/39/42/43/969394243.db2.gz ICLLASAOXYVFBT-UONOGXRCSA-N 2 2 222.376 2.369 20 30 BEEDLP C=CCCCC[N@@H+]1C[C@@H]2CCC[NH+](C)[C@@H]2C1 ZINC001209207023 969394252 /nfs/dbraw/zinc/39/42/52/969394252.db2.gz ICLLASAOXYVFBT-UONOGXRCSA-N 2 2 222.376 2.369 20 30 BEEDLP C#CCCC[N@@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001209268272 969420498 /nfs/dbraw/zinc/42/04/98/969420498.db2.gz XIYHWYHVRVCUBX-UHFFFAOYSA-N 2 2 222.376 2.204 20 30 BEEDLP C#CCCC[N@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001209268272 969420504 /nfs/dbraw/zinc/42/05/04/969420504.db2.gz XIYHWYHVRVCUBX-UHFFFAOYSA-N 2 2 222.376 2.204 20 30 BEEDLP C[N@@H+]1CCC[C@@H]([NH2+]Cc2ccccc2C#N)CC1 ZINC001254500994 969661201 /nfs/dbraw/zinc/66/12/01/969661201.db2.gz NTHGSLFMKITCCT-OAHLLOKOSA-N 2 2 243.354 2.132 20 30 BEEDLP C[N@H+]1CCC[C@@H]([NH2+]Cc2ccccc2C#N)CC1 ZINC001254500994 969661208 /nfs/dbraw/zinc/66/12/08/969661208.db2.gz NTHGSLFMKITCCT-OAHLLOKOSA-N 2 2 243.354 2.132 20 30 BEEDLP CC(C)[N@H+]([C@H]1CC[C@H](C#N)C1)C1CC[NH+](C)CC1 ZINC001254676034 969782207 /nfs/dbraw/zinc/78/22/07/969782207.db2.gz IGGUIHSKYXXGQB-ZFWWWQNUSA-N 2 2 249.402 2.483 20 30 BEEDLP CC(C)[N@@H+]([C@H]1CC[C@H](C#N)C1)C1CC[NH+](C)CC1 ZINC001254676034 969782210 /nfs/dbraw/zinc/78/22/10/969782210.db2.gz IGGUIHSKYXXGQB-ZFWWWQNUSA-N 2 2 249.402 2.483 20 30 BEEDLP N#C[C@H]1CC[C@H]([NH2+][C@H]2CC3CC[NH+](CC3)C2)CC1 ZINC001254839591 969800565 /nfs/dbraw/zinc/80/05/65/969800565.db2.gz TYOKSXQUCUOGQN-KKUMJFAQSA-N 2 2 247.386 2.143 20 30 BEEDLP C=CC[NH+](CC=C)C1CC[NH+](C2CC2)CC1 ZINC001256080376 970648123 /nfs/dbraw/zinc/64/81/23/970648123.db2.gz UJCVDLVHKHNFFZ-UHFFFAOYSA-N 2 2 220.360 2.287 20 30 BEEDLP C[C@@H](CCCC#N)[N@@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001246584644 972960936 /nfs/dbraw/zinc/96/09/36/972960936.db2.gz XWIWJDYDCJAWKK-QWHCGFSZSA-N 2 2 241.354 2.222 20 30 BEEDLP C[C@@H](CCCC#N)[N@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001246584644 972960941 /nfs/dbraw/zinc/96/09/41/972960941.db2.gz XWIWJDYDCJAWKK-QWHCGFSZSA-N 2 2 241.354 2.222 20 30 BEEDLP CCCCCCC[C@@H](CC)[NH2+]C1(C[NH3+])COC1 ZINC001172347094 974616942 /nfs/dbraw/zinc/61/69/42/974616942.db2.gz QZGLXFUOMYBAGT-CYBMUJFWSA-N 2 2 242.407 2.443 20 30 BEEDLP C[C@H](C[NH+]1CCCC1)[NH2+][C@@H](C)CCCC#N ZINC001172481253 974781415 /nfs/dbraw/zinc/78/14/15/974781415.db2.gz RPLTYRMPTDCBBK-QWHCGFSZSA-N 2 2 223.364 2.143 20 30 BEEDLP C[C@@H](CCCC#N)[NH2+][C@H]1CC[N@@H+](C2CCC2)C1 ZINC001172487799 974833506 /nfs/dbraw/zinc/83/35/06/974833506.db2.gz JMEFQLBTAHPTRM-STQMWFEESA-N 2 2 235.375 2.285 20 30 BEEDLP C[C@@H](CCCC#N)[NH2+][C@H]1CC[N@H+](C2CCC2)C1 ZINC001172487799 974833509 /nfs/dbraw/zinc/83/35/09/974833509.db2.gz JMEFQLBTAHPTRM-STQMWFEESA-N 2 2 235.375 2.285 20 30 BEEDLP C[C@H](CCCC#N)[NH2+]CCOc1cc[nH+]cc1 ZINC001172490629 974836691 /nfs/dbraw/zinc/83/66/91/974836691.db2.gz JGTUZCIXIQUPOD-GFCCVEGCSA-N 2 2 233.315 2.132 20 30 BEEDLP C[C@H](CCCC#N)[N@H+](C)C1CC[NH+](C)CC1 ZINC001172493084 974843074 /nfs/dbraw/zinc/84/30/74/974843074.db2.gz WEOBIOXDSOBSRK-GFCCVEGCSA-N 2 2 223.364 2.095 20 30 BEEDLP C[C@H](CCCC#N)[N@@H+](C)C1CC[NH+](C)CC1 ZINC001172493084 974843080 /nfs/dbraw/zinc/84/30/80/974843080.db2.gz WEOBIOXDSOBSRK-GFCCVEGCSA-N 2 2 223.364 2.095 20 30 BEEDLP CC[NH+](CC)C1CCC([N@H+](C)CC#N)CC1 ZINC001173114521 975024987 /nfs/dbraw/zinc/02/49/87/975024987.db2.gz NLHGFAHPBBCBCP-UHFFFAOYSA-N 2 2 223.364 2.095 20 30 BEEDLP CC[NH+](CC)C1CCC([N@@H+](C)CC#N)CC1 ZINC001173114521 975024992 /nfs/dbraw/zinc/02/49/92/975024992.db2.gz NLHGFAHPBBCBCP-UHFFFAOYSA-N 2 2 223.364 2.095 20 30 BEEDLP Cc1[nH+]cn(C2CCC(CC#N)CC2)c1CC[NH3+] ZINC001173328011 975276355 /nfs/dbraw/zinc/27/63/55/975276355.db2.gz MIPNEFJYJRVBQL-UHFFFAOYSA-N 2 2 246.358 2.338 20 30 BEEDLP Cc1[nH+]cn(C2CCC(C)(C#N)CC2)c1CC[NH3+] ZINC001173584990 975421838 /nfs/dbraw/zinc/42/18/38/975421838.db2.gz VIZQJQGNEBOOHR-UHFFFAOYSA-N 2 2 246.358 2.338 20 30 BEEDLP C=CCCCCC[N@@H+](CCOC)[C@H]1CC[NH2+]C1 ZINC001236333261 979536662 /nfs/dbraw/zinc/53/66/62/979536662.db2.gz JVINYZOHOGDYTP-AWEZNQCLSA-N 2 2 240.391 2.043 20 30 BEEDLP C=CCCCCC[N@H+](CCOC)[C@H]1CC[NH2+]C1 ZINC001236333261 979536666 /nfs/dbraw/zinc/53/66/66/979536666.db2.gz JVINYZOHOGDYTP-AWEZNQCLSA-N 2 2 240.391 2.043 20 30 BEEDLP N#CC1CC[NH+](Cc2cccc3c[nH+]cn32)CC1 ZINC001238104058 980149464 /nfs/dbraw/zinc/14/94/64/980149464.db2.gz RLZGMBHSRIGWSX-UHFFFAOYSA-N 2 2 240.310 2.070 20 30 BEEDLP C[C@H]1CC[C@H](C[NH3+])[N@H+](Cc2ccc(C#N)cc2)C1 ZINC001205805504 982566727 /nfs/dbraw/zinc/56/67/27/982566727.db2.gz QPHYFGGYLKYZTJ-SWLSCSKDSA-N 2 2 243.354 2.117 20 30 BEEDLP C[C@H]1CC[C@H](C[NH3+])[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001205805504 982566734 /nfs/dbraw/zinc/56/67/34/982566734.db2.gz QPHYFGGYLKYZTJ-SWLSCSKDSA-N 2 2 243.354 2.117 20 30 BEEDLP Cc1cc(C#N)cc(C)c1C[NH2+]C[C@@H]1CCC[NH2+]1 ZINC001579554010 986079428 /nfs/dbraw/zinc/07/94/28/986079428.db2.gz JLLHKRYCGABPIS-AWEZNQCLSA-N 2 2 243.354 2.017 20 30 BEEDLP C[N@H+](C1CC1)C1CC[NH+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC001254672474 986720292 /nfs/dbraw/zinc/72/02/92/986720292.db2.gz BOVGDUGOMLFLAP-IUODEOHRSA-N 2 2 247.386 2.237 20 30 BEEDLP C[N@@H+](C1CC1)C1CC[NH+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC001254672474 986720298 /nfs/dbraw/zinc/72/02/98/986720298.db2.gz BOVGDUGOMLFLAP-IUODEOHRSA-N 2 2 247.386 2.237 20 30 BEEDLP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1cc(C#N)co1 ZINC001255953451 987096694 /nfs/dbraw/zinc/09/66/94/987096694.db2.gz RIHVODXJURQOAW-LBPRGKRZSA-N 2 2 249.358 2.361 20 30 BEEDLP CCCCCCCC[C@@H](O)C[N@H+](CC)CC[NH3+] ZINC001246054406 987348564 /nfs/dbraw/zinc/34/85/64/987348564.db2.gz ZLQRWWLPVMWKQB-CQSZACIVSA-N 2 2 244.423 2.379 20 30 BEEDLP CCCCCCCC[C@@H](O)C[N@@H+](CC)CC[NH3+] ZINC001246054406 987348569 /nfs/dbraw/zinc/34/85/69/987348569.db2.gz ZLQRWWLPVMWKQB-CQSZACIVSA-N 2 2 244.423 2.379 20 30 BEEDLP CCCCCCC[C@H](CC)[NH2+][C@@H]1C[NH2+]C[C@H]1O ZINC001246098689 987414439 /nfs/dbraw/zinc/41/44/39/987414439.db2.gz CYNSVVYRHZHPII-BFHYXJOUSA-N 2 2 242.407 2.048 20 30 BEEDLP C=CCC[C@H](C)[N@@H+]1C[C@@H]2CCC[NH+](C)[C@@H]2C1 ZINC001258733457 991679521 /nfs/dbraw/zinc/67/95/21/991679521.db2.gz GJNLCQDZNKHRRS-MELADBBJSA-N 2 2 222.376 2.367 20 30 BEEDLP C=CCC[C@H](C)[N@H+]1C[C@@H]2CCC[NH+](C)[C@@H]2C1 ZINC001258733457 991679524 /nfs/dbraw/zinc/67/95/24/991679524.db2.gz GJNLCQDZNKHRRS-MELADBBJSA-N 2 2 222.376 2.367 20 30 BEEDLP C=CCC[C@H](C)[NH+]1C[C@@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001258733457 991679527 /nfs/dbraw/zinc/67/95/27/991679527.db2.gz GJNLCQDZNKHRRS-MELADBBJSA-N 2 2 222.376 2.367 20 30 BEEDLP C=CCC[C@H](C)[NH+]1C[C@@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001258733457 991679531 /nfs/dbraw/zinc/67/95/31/991679531.db2.gz GJNLCQDZNKHRRS-MELADBBJSA-N 2 2 222.376 2.367 20 30 BEEDLP C=CCCC[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000309140729 136217780 /nfs/dbraw/zinc/21/77/80/136217780.db2.gz SYBLDWBZWZISLW-DGCLKSJQSA-N 2 2 208.349 2.025 20 30 BEEDLP C=CCCC[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000309140729 136217781 /nfs/dbraw/zinc/21/77/81/136217781.db2.gz SYBLDWBZWZISLW-DGCLKSJQSA-N 2 2 208.349 2.025 20 30 BEEDLP C[C@H](CCC#N)C[NH2+][C@@H](C)C[NH+]1CCCCC1 ZINC000602508632 349584519 /nfs/dbraw/zinc/58/45/19/349584519.db2.gz OJXXXLYOGUKCBN-KGLIPLIRSA-N 2 2 237.391 2.390 20 30 BEEDLP CC[N@@H+]1CCCC[C@@H]1C[NH2+]C[C@@H](C)CCC#N ZINC000602546329 349589613 /nfs/dbraw/zinc/58/96/13/349589613.db2.gz KGLRLOAICZGCPC-UONOGXRCSA-N 2 2 237.391 2.390 20 30 BEEDLP CC[N@H+]1CCCC[C@@H]1C[NH2+]C[C@@H](C)CCC#N ZINC000602546329 349589616 /nfs/dbraw/zinc/58/96/16/349589616.db2.gz KGLRLOAICZGCPC-UONOGXRCSA-N 2 2 237.391 2.390 20 30 BEEDLP C[N@@H+]1CC[C@@H]([NH2+]CC2(C#N)CCC2)CC1(C)C ZINC000600165250 342693818 /nfs/dbraw/zinc/69/38/18/342693818.db2.gz PEKFSVIRTNJSAC-GFCCVEGCSA-N 2 2 235.375 2.143 20 30 BEEDLP C[N@H+]1CC[C@@H]([NH2+]CC2(C#N)CCC2)CC1(C)C ZINC000600165250 342693819 /nfs/dbraw/zinc/69/38/19/342693819.db2.gz PEKFSVIRTNJSAC-GFCCVEGCSA-N 2 2 235.375 2.143 20 30 BEEDLP C[C@H]1C[C@H]([NH2+]Cc2cc(C#N)cs2)CC[N@@H+]1C ZINC000093492698 361864812 /nfs/dbraw/zinc/86/48/12/361864812.db2.gz CPIAKABGGVTTSI-CMPLNLGQSA-N 2 2 249.383 2.192 20 30 BEEDLP C[C@H]1C[C@H]([NH2+]Cc2cc(C#N)cs2)CC[N@H+]1C ZINC000093492698 361864816 /nfs/dbraw/zinc/86/48/16/361864816.db2.gz CPIAKABGGVTTSI-CMPLNLGQSA-N 2 2 249.383 2.192 20 30 BEEDLP N#CC1CCC([NH2+][C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000602564031 349616396 /nfs/dbraw/zinc/61/63/96/349616396.db2.gz KOWFAEIMSJZZSU-PESDSKBTSA-N 2 2 247.386 2.143 20 30 BEEDLP N#CC1CCC([NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000602564031 349616398 /nfs/dbraw/zinc/61/63/98/349616398.db2.gz KOWFAEIMSJZZSU-PESDSKBTSA-N 2 2 247.386 2.143 20 30 BEEDLP N#C[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000613254404 361859470 /nfs/dbraw/zinc/85/94/70/361859470.db2.gz JBUXVLPICHJWBA-ILXRZTDVSA-N 2 2 247.386 2.143 20 30 BEEDLP N#C[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000613254404 361859472 /nfs/dbraw/zinc/85/94/72/361859472.db2.gz JBUXVLPICHJWBA-ILXRZTDVSA-N 2 2 247.386 2.143 20 30 BEEDLP C[C@@H](CCC#N)C[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000602565623 349617829 /nfs/dbraw/zinc/61/78/29/349617829.db2.gz QNINPTMXVHWRSU-JSGCOSHPSA-N 2 2 235.375 2.000 20 30 BEEDLP C[C@@H](CCC#N)C[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000602565623 349617831 /nfs/dbraw/zinc/61/78/31/349617831.db2.gz QNINPTMXVHWRSU-JSGCOSHPSA-N 2 2 235.375 2.000 20 30 BEEDLP C=CCC[C@H](CC)[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000379974312 538983352 /nfs/dbraw/zinc/98/33/52/538983352.db2.gz CSKBHAAFNMUIFU-STQMWFEESA-N 2 2 210.365 2.415 20 30 BEEDLP C=CCC[C@H](CC)[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000379974312 538983353 /nfs/dbraw/zinc/98/33/53/538983353.db2.gz CSKBHAAFNMUIFU-STQMWFEESA-N 2 2 210.365 2.415 20 30 BEEDLP C=C(C)C[N@H+](CC)C[C@H]([NH3+])Cc1ccccc1 ZINC000020074154 187206301 /nfs/dbraw/zinc/20/63/01/187206301.db2.gz PBOWFJSDBMOEOZ-OAHLLOKOSA-N 2 2 232.371 2.454 20 30 BEEDLP C=C(C)C[N@@H+](CC)C[C@H]([NH3+])Cc1ccccc1 ZINC000020074154 187206303 /nfs/dbraw/zinc/20/63/03/187206303.db2.gz PBOWFJSDBMOEOZ-OAHLLOKOSA-N 2 2 232.371 2.454 20 30 BEEDLP CCC[N@@H+]1CC[C@H]([NH2+]C2CCC(C#N)CC2)C1 ZINC000602714077 349705714 /nfs/dbraw/zinc/70/57/14/349705714.db2.gz SRNUOKYLHVSHOE-RUXDESIVSA-N 2 2 235.375 2.143 20 30 BEEDLP CCC[N@H+]1CC[C@H]([NH2+]C2CCC(C#N)CC2)C1 ZINC000602714077 349705716 /nfs/dbraw/zinc/70/57/16/349705716.db2.gz SRNUOKYLHVSHOE-RUXDESIVSA-N 2 2 235.375 2.143 20 30 BEEDLP N#CCC1(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)CC1 ZINC000602779724 349745928 /nfs/dbraw/zinc/74/59/28/349745928.db2.gz NSRMNXMMQQNIML-UHFFFAOYSA-N 2 2 244.342 2.283 20 30 BEEDLP CCC1([NH+](C)C)CC[NH+](CCCC#N)CC1 ZINC000602966738 349827352 /nfs/dbraw/zinc/82/73/52/349827352.db2.gz PVZDUVTWWHJIME-UHFFFAOYSA-N 2 2 223.364 2.096 20 30 BEEDLP CCC[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)CCC#N)C1 ZINC000389264425 343685769 /nfs/dbraw/zinc/68/57/69/343685769.db2.gz PJEQBKRVCGLDOD-CYBMUJFWSA-N 2 2 237.391 2.390 20 30 BEEDLP CCC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)CCC#N)C1 ZINC000389264425 343685771 /nfs/dbraw/zinc/68/57/71/343685771.db2.gz PJEQBKRVCGLDOD-CYBMUJFWSA-N 2 2 237.391 2.390 20 30 BEEDLP C[N@H+](CCC[NH+]1CCCCC1)[C@H]1CCC[C@@H]1C#N ZINC000602979579 349844117 /nfs/dbraw/zinc/84/41/17/349844117.db2.gz GCGRQPMOHSDNOW-CABCVRRESA-N 2 2 249.402 2.486 20 30 BEEDLP C[N@@H+](CCC[NH+]1CCCCC1)[C@H]1CCC[C@@H]1C#N ZINC000602979579 349844120 /nfs/dbraw/zinc/84/41/20/349844120.db2.gz GCGRQPMOHSDNOW-CABCVRRESA-N 2 2 249.402 2.486 20 30 BEEDLP C[N@H+](CCC[NH+]1CCCCC1)[C@H]1CCC[C@H]1C#N ZINC000602979580 349844191 /nfs/dbraw/zinc/84/41/91/349844191.db2.gz GCGRQPMOHSDNOW-GJZGRUSLSA-N 2 2 249.402 2.486 20 30 BEEDLP C[N@@H+](CCC[NH+]1CCCCC1)[C@H]1CCC[C@H]1C#N ZINC000602979580 349844193 /nfs/dbraw/zinc/84/41/93/349844193.db2.gz GCGRQPMOHSDNOW-GJZGRUSLSA-N 2 2 249.402 2.486 20 30 BEEDLP CC[NH+](CC)CCC[N@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602980553 349845928 /nfs/dbraw/zinc/84/59/28/349845928.db2.gz RGICQDNUFRFGPY-KBPBESRZSA-N 2 2 237.391 2.342 20 30 BEEDLP CC[NH+](CC)CCC[N@@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602980553 349845932 /nfs/dbraw/zinc/84/59/32/349845932.db2.gz RGICQDNUFRFGPY-KBPBESRZSA-N 2 2 237.391 2.342 20 30 BEEDLP CC(C)[NH2+][C@@H]1CCC[N@H+](CCCCC#N)C1 ZINC000609385877 344470633 /nfs/dbraw/zinc/47/06/33/344470633.db2.gz GFRZACPRQFPGAC-CYBMUJFWSA-N 2 2 223.364 2.143 20 30 BEEDLP CC(C)[NH2+][C@@H]1CCC[N@@H+](CCCCC#N)C1 ZINC000609385877 344470635 /nfs/dbraw/zinc/47/06/35/344470635.db2.gz GFRZACPRQFPGAC-CYBMUJFWSA-N 2 2 223.364 2.143 20 30 BEEDLP C=CC[N@H+](Cc1ccccc1)C[C@H](C)[NH3+] ZINC000238421496 345044045 /nfs/dbraw/zinc/04/40/45/345044045.db2.gz MDMJBVYPXBXNON-LBPRGKRZSA-N 2 2 204.317 2.022 20 30 BEEDLP C=CC[N@@H+](Cc1ccccc1)C[C@H](C)[NH3+] ZINC000238421496 345044050 /nfs/dbraw/zinc/04/40/50/345044050.db2.gz MDMJBVYPXBXNON-LBPRGKRZSA-N 2 2 204.317 2.022 20 30 BEEDLP C=CC[C@@H]1CCC[N@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634996562 345188320 /nfs/dbraw/zinc/18/83/20/345188320.db2.gz NRFIKDZLAVKCBN-IYXRBSQSSA-N 2 2 220.360 2.027 20 30 BEEDLP C=CC[C@@H]1CCC[N@@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634996562 345188322 /nfs/dbraw/zinc/18/83/22/345188322.db2.gz NRFIKDZLAVKCBN-IYXRBSQSSA-N 2 2 220.360 2.027 20 30 BEEDLP CC(C)(CCC#N)C[NH+]1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000371418705 534996080 /nfs/dbraw/zinc/99/60/80/534996080.db2.gz FESDIJQNALJZSI-CQSZACIVSA-N 2 2 249.402 2.486 20 30 BEEDLP CC(C)(CCC#N)C[NH+]1CCC[N@H+]2CCC[C@@H]2C1 ZINC000371418705 534996084 /nfs/dbraw/zinc/99/60/84/534996084.db2.gz FESDIJQNALJZSI-CQSZACIVSA-N 2 2 249.402 2.486 20 30 BEEDLP C[C@H]1CC[N@H+](CCCC#N)C[C@@H]1n1cc[nH+]c1 ZINC000136094419 345475438 /nfs/dbraw/zinc/47/54/38/345475438.db2.gz QGQGXFQNKHMABN-STQMWFEESA-N 2 2 232.331 2.070 20 30 BEEDLP N#CC1(C[NH2+]C2CC[NH+](CC3CC3)CC2)CCC1 ZINC000581180732 347265512 /nfs/dbraw/zinc/26/55/12/347265512.db2.gz CKDIIFXXPXJPDC-UHFFFAOYSA-N 2 2 247.386 2.144 20 30 BEEDLP CC(C)(C#N)CCC[N@@H+]1CCc2[nH+]c[nH]c2C1 ZINC000590600210 347480211 /nfs/dbraw/zinc/48/02/11/347480211.db2.gz MOYLKUSOQZYEFH-UHFFFAOYSA-N 2 2 232.331 2.098 20 30 BEEDLP CC(C)(C#N)CCC[N@H+]1CCc2[nH+]c[nH]c2C1 ZINC000590600210 347480213 /nfs/dbraw/zinc/48/02/13/347480213.db2.gz MOYLKUSOQZYEFH-UHFFFAOYSA-N 2 2 232.331 2.098 20 30 BEEDLP C=CCCC[N@@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000302323711 347516558 /nfs/dbraw/zinc/51/65/58/347516558.db2.gz FFSDORSFURIWCT-LSDHHAIUSA-N 2 2 230.355 2.379 20 30 BEEDLP C=CCCC[N@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000302323711 347516563 /nfs/dbraw/zinc/51/65/63/347516563.db2.gz FFSDORSFURIWCT-LSDHHAIUSA-N 2 2 230.355 2.379 20 30 BEEDLP CC(C)[NH2+][C@@H]1CCC[N@@H+]([C@H]2CC[C@@H](C#N)C2)C1 ZINC000590166123 347609075 /nfs/dbraw/zinc/60/90/75/347609075.db2.gz QEAQLEVQPIWNSP-MCIONIFRSA-N 2 2 235.375 2.141 20 30 BEEDLP CC(C)[NH2+][C@@H]1CCC[N@H+]([C@H]2CC[C@@H](C#N)C2)C1 ZINC000590166123 347609078 /nfs/dbraw/zinc/60/90/78/347609078.db2.gz QEAQLEVQPIWNSP-MCIONIFRSA-N 2 2 235.375 2.141 20 30 BEEDLP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1cccc(C#N)c1 ZINC000591570987 347675953 /nfs/dbraw/zinc/67/59/53/347675953.db2.gz PRZDRGOBEHITAW-SLEUVZQESA-N 2 2 243.354 2.349 20 30 BEEDLP CC(C)C[N@H+](C)CCC[NH2+]Cc1ccc(C#N)o1 ZINC000593647294 347926232 /nfs/dbraw/zinc/92/62/32/347926232.db2.gz WWUDMAUIURUGDZ-UHFFFAOYSA-N 2 2 249.358 2.219 20 30 BEEDLP CC(C)C[N@@H+](C)CCC[NH2+]Cc1ccc(C#N)o1 ZINC000593647294 347926234 /nfs/dbraw/zinc/92/62/34/347926234.db2.gz WWUDMAUIURUGDZ-UHFFFAOYSA-N 2 2 249.358 2.219 20 30 BEEDLP CC(C)C[C@@H]([NH3+])C[NH2+]CC1(C#N)CCCCC1 ZINC000594739383 348110344 /nfs/dbraw/zinc/11/03/44/348110344.db2.gz PDBOQMDHYJEGLM-CYBMUJFWSA-N 2 2 237.391 2.423 20 30 BEEDLP CC(C)(CCC#N)C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000594955722 348149022 /nfs/dbraw/zinc/14/90/22/348149022.db2.gz RERONQZTHAQYDL-UHFFFAOYSA-N 2 2 246.358 2.249 20 30 BEEDLP C=CCC[C@H](C)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000308893224 323181178 /nfs/dbraw/zinc/18/11/78/323181178.db2.gz YKNAULZOJXEKPU-OLZOCXBDSA-N 2 2 210.365 2.273 20 30 BEEDLP C=CCC[C@H](C)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000308893224 323181179 /nfs/dbraw/zinc/18/11/79/323181179.db2.gz YKNAULZOJXEKPU-OLZOCXBDSA-N 2 2 210.365 2.273 20 30 BEEDLP CC(C)([NH2+]Cc1c[nH+]c[nH]1)c1cccc(C#N)c1 ZINC000595638339 348303635 /nfs/dbraw/zinc/30/36/35/348303635.db2.gz AQRUCTDUDPXSDK-UHFFFAOYSA-N 2 2 240.310 2.306 20 30 BEEDLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@](C)(C#N)C1 ZINC000595835132 348368327 /nfs/dbraw/zinc/36/83/27/348368327.db2.gz ORTLCVQEHGPCSO-KGLIPLIRSA-N 2 2 235.375 2.096 20 30 BEEDLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@](C)(C#N)C1 ZINC000595835132 348368328 /nfs/dbraw/zinc/36/83/28/348368328.db2.gz ORTLCVQEHGPCSO-KGLIPLIRSA-N 2 2 235.375 2.096 20 30 BEEDLP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595835132 348368332 /nfs/dbraw/zinc/36/83/32/348368332.db2.gz ORTLCVQEHGPCSO-KGLIPLIRSA-N 2 2 235.375 2.096 20 30 BEEDLP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595835132 348368333 /nfs/dbraw/zinc/36/83/33/348368333.db2.gz ORTLCVQEHGPCSO-KGLIPLIRSA-N 2 2 235.375 2.096 20 30 BEEDLP CC[N@H+](CCCCn1cc[nH+]c1C)[C@H](C)C#N ZINC000595821386 348363202 /nfs/dbraw/zinc/36/32/02/348363202.db2.gz VAIUPFJERQSXAI-GFCCVEGCSA-N 2 2 234.347 2.206 20 30 BEEDLP CC[N@@H+](CCCCn1cc[nH+]c1C)[C@H](C)C#N ZINC000595821386 348363204 /nfs/dbraw/zinc/36/32/04/348363204.db2.gz VAIUPFJERQSXAI-GFCCVEGCSA-N 2 2 234.347 2.206 20 30 BEEDLP CC[C@@H]([NH2+][C@@H](C)C[NH2+]C)c1ccc(C#N)cc1 ZINC000596654778 348608025 /nfs/dbraw/zinc/60/80/25/348608025.db2.gz NILCZTWPGMWEFY-SMDDNHRTSA-N 2 2 231.343 2.207 20 30 BEEDLP C=C(C)C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000336667462 350428344 /nfs/dbraw/zinc/42/83/44/350428344.db2.gz GMWTXQPKIDZSNL-ZDUSSCGKSA-N 2 2 218.300 2.111 20 30 BEEDLP C=C(C)C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000336667462 350428348 /nfs/dbraw/zinc/42/83/48/350428348.db2.gz GMWTXQPKIDZSNL-ZDUSSCGKSA-N 2 2 218.300 2.111 20 30 BEEDLP Cc1c[nH+]ccc1CC[NH2+]C[C@H](C)CCC#N ZINC000618888385 352166468 /nfs/dbraw/zinc/16/64/68/352166468.db2.gz XGDOBJVCVQQUFE-GFCCVEGCSA-N 2 2 231.343 2.462 20 30 BEEDLP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CCC#N ZINC000411556121 191193565 /nfs/dbraw/zinc/19/35/65/191193565.db2.gz XLAUNLORBDXCIJ-KBPBESRZSA-N 2 2 237.391 2.390 20 30 BEEDLP C#CCC[NH2+][C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000289400459 353627818 /nfs/dbraw/zinc/62/78/18/353627818.db2.gz NXKFDXRDTDHTJR-CABCVRRESA-N 2 2 228.339 2.045 20 30 BEEDLP C#CCC[NH2+][C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000289400459 353627820 /nfs/dbraw/zinc/62/78/20/353627820.db2.gz NXKFDXRDTDHTJR-CABCVRRESA-N 2 2 228.339 2.045 20 30 BEEDLP C=CCOc1ccc(C[N@H+]2CCC[C@@H]([NH3+])C2)cc1 ZINC000346063608 354851644 /nfs/dbraw/zinc/85/16/44/354851644.db2.gz GZXBYLFYQRUPMG-CQSZACIVSA-N 2 2 246.354 2.175 20 30 BEEDLP C=CCOc1ccc(C[N@@H+]2CCC[C@@H]([NH3+])C2)cc1 ZINC000346063608 354851647 /nfs/dbraw/zinc/85/16/47/354851647.db2.gz GZXBYLFYQRUPMG-CQSZACIVSA-N 2 2 246.354 2.175 20 30 BEEDLP C[C@@H]1CC[N@H+](CC2(C#N)CC2)C[C@H]1n1cc[nH+]c1 ZINC000335896079 355690795 /nfs/dbraw/zinc/69/07/95/355690795.db2.gz IBYHKQSHTHDBRW-CHWSQXEVSA-N 2 2 244.342 2.070 20 30 BEEDLP C[C@@H]1CC[N@@H+](CC2(C#N)CC2)C[C@H]1n1cc[nH+]c1 ZINC000335896079 355690797 /nfs/dbraw/zinc/69/07/97/355690797.db2.gz IBYHKQSHTHDBRW-CHWSQXEVSA-N 2 2 244.342 2.070 20 30 BEEDLP C[C@@H](CCC#N)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000351472194 355997091 /nfs/dbraw/zinc/99/70/91/355997091.db2.gz OVMPPKNESARORX-RDBSUJKOSA-N 2 2 246.358 2.458 20 30 BEEDLP C[C@@H](CCC#N)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000351472194 355997095 /nfs/dbraw/zinc/99/70/95/355997095.db2.gz OVMPPKNESARORX-RDBSUJKOSA-N 2 2 246.358 2.458 20 30 BEEDLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000420355248 192219077 /nfs/dbraw/zinc/21/90/77/192219077.db2.gz BXIMLNDMDRWDRM-LALPHHSUSA-N 2 2 243.354 2.034 20 30 BEEDLP CC1(C)CCC[N@@H+]1CC[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000449779313 202031870 /nfs/dbraw/zinc/03/18/70/202031870.db2.gz DASPLDGRYSCZBS-OLZOCXBDSA-N 2 2 235.375 2.143 20 30 BEEDLP CC1(C)CCC[N@H+]1CC[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000449779313 202031873 /nfs/dbraw/zinc/03/18/73/202031873.db2.gz DASPLDGRYSCZBS-OLZOCXBDSA-N 2 2 235.375 2.143 20 30 BEEDLP CC[N@@H+]1CC[C@@H]([NH+](C)CC2(C#N)CCC2)C[C@H]1C ZINC000450465073 202174159 /nfs/dbraw/zinc/17/41/59/202174159.db2.gz DATVSRREWGURCN-ZIAGYGMSSA-N 2 2 249.402 2.485 20 30 BEEDLP CC[N@H+]1CC[C@@H]([NH+](C)CC2(C#N)CCC2)C[C@H]1C ZINC000450465073 202174161 /nfs/dbraw/zinc/17/41/61/202174161.db2.gz DATVSRREWGURCN-ZIAGYGMSSA-N 2 2 249.402 2.485 20 30 BEEDLP CC[NH+]1CC[C@@H]([N@H+](C)CC2(C#N)CCC2)C[C@H]1C ZINC000450465073 202174163 /nfs/dbraw/zinc/17/41/63/202174163.db2.gz DATVSRREWGURCN-ZIAGYGMSSA-N 2 2 249.402 2.485 20 30 BEEDLP CC[NH+]1CC[C@@H]([N@@H+](C)CC2(C#N)CCC2)C[C@H]1C ZINC000450465073 202174164 /nfs/dbraw/zinc/17/41/64/202174164.db2.gz DATVSRREWGURCN-ZIAGYGMSSA-N 2 2 249.402 2.485 20 30 BEEDLP CC#CC[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361060460 134203196 /nfs/dbraw/zinc/20/31/96/134203196.db2.gz WIOPONFPPCJWAR-UHFFFAOYSA-N 2 2 245.370 2.399 20 30 BEEDLP CCC[NH2+]CC[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000423311341 192698398 /nfs/dbraw/zinc/69/83/98/192698398.db2.gz PNCOUXGEDNJKLX-GFCCVEGCSA-N 2 2 231.343 2.208 20 30 BEEDLP CC(C)(C#N)CC[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000611462450 359373789 /nfs/dbraw/zinc/37/37/89/359373789.db2.gz AIBBHSAJRARXDR-CYBMUJFWSA-N 2 2 246.358 2.460 20 30 BEEDLP CC(C)(C#N)CC[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000611462450 359373791 /nfs/dbraw/zinc/37/37/91/359373791.db2.gz AIBBHSAJRARXDR-CYBMUJFWSA-N 2 2 246.358 2.460 20 30 BEEDLP C[C@@H]([NH2+][C@@H]1CCC[N@H+](C)C1)c1ccc(C#N)cc1 ZINC000040671884 359756905 /nfs/dbraw/zinc/75/69/05/359756905.db2.gz AQLOWLIASOOMMM-IUODEOHRSA-N 2 2 243.354 2.303 20 30 BEEDLP C[C@@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)c1ccc(C#N)cc1 ZINC000040671884 359756907 /nfs/dbraw/zinc/75/69/07/359756907.db2.gz AQLOWLIASOOMMM-IUODEOHRSA-N 2 2 243.354 2.303 20 30 BEEDLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CCC(C)(C)C#N)C1 ZINC000573503115 364850220 /nfs/dbraw/zinc/85/02/20/364850220.db2.gz NJXVLEGKMTWQCV-LBPRGKRZSA-N 2 2 246.358 2.149 20 30 BEEDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CCC(C)(C)C#N)C1 ZINC000573503115 364850223 /nfs/dbraw/zinc/85/02/23/364850223.db2.gz NJXVLEGKMTWQCV-LBPRGKRZSA-N 2 2 246.358 2.149 20 30 BEEDLP CCC#C[C@H](C)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001642120456 1172323778 /nfs/dbraw/zinc/32/37/78/1172323778.db2.gz NILZTSDOLXHCIM-STQMWFEESA-N 2 2 231.343 2.391 20 30 BEEDLP CCC#C[C@H](C)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001642120456 1172323787 /nfs/dbraw/zinc/32/37/87/1172323787.db2.gz NILZTSDOLXHCIM-STQMWFEESA-N 2 2 231.343 2.391 20 30 BEEDLP C=CC(C)(C)C[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000384874666 367747758 /nfs/dbraw/zinc/74/77/58/367747758.db2.gz RUBAOOLUYYJCET-NEPJUHHUSA-N 2 2 222.376 2.413 20 30 BEEDLP C=CC(C)(C)C[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000384874666 367747762 /nfs/dbraw/zinc/74/77/62/367747762.db2.gz RUBAOOLUYYJCET-NEPJUHHUSA-N 2 2 222.376 2.413 20 30 BEEDLP C=C[C@@H]1CCCC[N@H+]1CCCc1c[nH+]cn1C ZINC000581891895 367881150 /nfs/dbraw/zinc/88/11/50/367881150.db2.gz IPGYFZIEVFJIDU-CYBMUJFWSA-N 2 2 233.359 2.393 20 30 BEEDLP C=C[C@@H]1CCCC[N@@H+]1CCCc1c[nH+]cn1C ZINC000581891895 367881153 /nfs/dbraw/zinc/88/11/53/367881153.db2.gz IPGYFZIEVFJIDU-CYBMUJFWSA-N 2 2 233.359 2.393 20 30 BEEDLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000582014055 368153695 /nfs/dbraw/zinc/15/36/95/368153695.db2.gz FYTZXJABAVZKPN-ZNMIVQPWSA-N 2 2 249.402 2.389 20 30 BEEDLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000582014053 368154014 /nfs/dbraw/zinc/15/40/14/368154014.db2.gz FYTZXJABAVZKPN-RRFJBIMHSA-N 2 2 249.402 2.389 20 30 BEEDLP C[N@@H+]1CCC[C@H]1C[NH2+]CC(C)(C)CCC#N ZINC000164453876 203113798 /nfs/dbraw/zinc/11/37/98/203113798.db2.gz MCYAOPYFDVCZQI-LBPRGKRZSA-N 2 2 223.364 2.000 20 30 BEEDLP C[N@H+]1CCC[C@H]1C[NH2+]CC(C)(C)CCC#N ZINC000164453876 203113800 /nfs/dbraw/zinc/11/38/00/203113800.db2.gz MCYAOPYFDVCZQI-LBPRGKRZSA-N 2 2 223.364 2.000 20 30 BEEDLP C[C@@H]1C[C@H]([NH2+]CC(C)(C)CC#N)C[N@@H+]1C1CC1 ZINC000459726761 203342438 /nfs/dbraw/zinc/34/24/38/203342438.db2.gz FNIUBJKASYTBLG-NEPJUHHUSA-N 2 2 235.375 2.141 20 30 BEEDLP C[C@@H]1C[C@H]([NH2+]CC(C)(C)CC#N)C[N@H+]1C1CC1 ZINC000459726761 203342442 /nfs/dbraw/zinc/34/24/42/203342442.db2.gz FNIUBJKASYTBLG-NEPJUHHUSA-N 2 2 235.375 2.141 20 30 BEEDLP CC[C@H]1C[N@H+](Cc2ccccc2C#N)CC[C@H]1[NH3+] ZINC000251868643 369979619 /nfs/dbraw/zinc/97/96/19/369979619.db2.gz UFQSZJQAMLYZFZ-SWLSCSKDSA-N 2 2 243.354 2.117 20 30 BEEDLP CC[C@H]1C[N@@H+](Cc2ccccc2C#N)CC[C@H]1[NH3+] ZINC000251868643 369979624 /nfs/dbraw/zinc/97/96/24/369979624.db2.gz UFQSZJQAMLYZFZ-SWLSCSKDSA-N 2 2 243.354 2.117 20 30 BEEDLP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCC[N@H+]2C)C1 ZINC000623786731 371092542 /nfs/dbraw/zinc/09/25/42/371092542.db2.gz GLZYHAFVFDHVOC-MCIONIFRSA-N 2 2 222.376 2.415 20 30 BEEDLP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+]2C)C1 ZINC000623786731 371092547 /nfs/dbraw/zinc/09/25/47/371092547.db2.gz GLZYHAFVFDHVOC-MCIONIFRSA-N 2 2 222.376 2.415 20 30 BEEDLP CCC[N@H+](CCC[NH+](C)C)Cc1ccc(C#N)o1 ZINC000290582019 169156849 /nfs/dbraw/zinc/15/68/49/169156849.db2.gz URNMZBUPABACHZ-UHFFFAOYSA-N 2 2 249.358 2.315 20 30 BEEDLP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(C#N)o1 ZINC000290582019 169156852 /nfs/dbraw/zinc/15/68/52/169156852.db2.gz URNMZBUPABACHZ-UHFFFAOYSA-N 2 2 249.358 2.315 20 30 BEEDLP C[C@H](C[NH2+]CC(C)(C)CCC#N)[N@H+](C)C1CC1 ZINC000174357228 384322777 /nfs/dbraw/zinc/32/27/77/384322777.db2.gz MMVFJRUJQIKCRN-GFCCVEGCSA-N 2 2 237.391 2.389 20 30 BEEDLP C[C@H](C[NH2+]CC(C)(C)CCC#N)[N@@H+](C)C1CC1 ZINC000174357228 384322783 /nfs/dbraw/zinc/32/27/83/384322783.db2.gz MMVFJRUJQIKCRN-GFCCVEGCSA-N 2 2 237.391 2.389 20 30 BEEDLP C#CC[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000154735119 384659367 /nfs/dbraw/zinc/65/93/67/384659367.db2.gz ZUGPJNXYNMWFTM-HNNXBMFYSA-N 2 2 234.387 2.064 20 30 BEEDLP C#CC[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000154735119 384659377 /nfs/dbraw/zinc/65/93/77/384659377.db2.gz ZUGPJNXYNMWFTM-HNNXBMFYSA-N 2 2 234.387 2.064 20 30 BEEDLP C[C@H](C[NH2+]CC(C)(C)CCC#N)Cn1cc[nH+]c1 ZINC000174318243 384775594 /nfs/dbraw/zinc/77/55/94/384775594.db2.gz BONOMZLVGYXTOX-CYBMUJFWSA-N 2 2 248.374 2.439 20 30 BEEDLP CCCC[N@H+](C)CC[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000310037190 384802742 /nfs/dbraw/zinc/80/27/42/384802742.db2.gz UWQITPZNVSCYKK-QWHCGFSZSA-N 2 2 223.364 2.000 20 30 BEEDLP CCCC[N@@H+](C)CC[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000310037190 384802746 /nfs/dbraw/zinc/80/27/46/384802746.db2.gz UWQITPZNVSCYKK-QWHCGFSZSA-N 2 2 223.364 2.000 20 30 BEEDLP C=CC(C)(C)C[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000449487650 385228593 /nfs/dbraw/zinc/22/85/93/385228593.db2.gz ZUOCNWYMWOKMOX-WCQYABFASA-N 2 2 222.376 2.271 20 30 BEEDLP C=CC(C)(C)C[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000449487650 385228598 /nfs/dbraw/zinc/22/85/98/385228598.db2.gz ZUOCNWYMWOKMOX-WCQYABFASA-N 2 2 222.376 2.271 20 30 BEEDLP C=CCOc1ccc(C[NH2+]C[C@@H](C)[NH2+]CC)cc1 ZINC000414957208 385844539 /nfs/dbraw/zinc/84/45/39/385844539.db2.gz NYJGNXDESHRCED-CYBMUJFWSA-N 2 2 248.370 2.339 20 30 BEEDLP C=CCCCC[NH2+]Cc1c[nH+]c(C)n1C ZINC000518796968 385965661 /nfs/dbraw/zinc/96/56/61/385965661.db2.gz GNIKOVBRAOVBMK-UHFFFAOYSA-N 2 2 207.321 2.174 20 30 BEEDLP C#CC[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000359932662 533155900 /nfs/dbraw/zinc/15/59/00/533155900.db2.gz CBGQGUDJMGNDBX-HNNXBMFYSA-N 2 2 234.387 2.208 20 30 BEEDLP C#CC[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000359932662 533155906 /nfs/dbraw/zinc/15/59/06/533155906.db2.gz CBGQGUDJMGNDBX-HNNXBMFYSA-N 2 2 234.387 2.208 20 30 BEEDLP C[C@@H]1CCC[N@H+](CC[NH2+][C@H]2CC[C@@H](C#N)C2)C1 ZINC000442710841 386524016 /nfs/dbraw/zinc/52/40/16/386524016.db2.gz QWOHZUQILDPFAJ-MCIONIFRSA-N 2 2 235.375 2.000 20 30 BEEDLP C[C@@H]1CCC[N@@H+](CC[NH2+][C@H]2CC[C@@H](C#N)C2)C1 ZINC000442710841 386524020 /nfs/dbraw/zinc/52/40/20/386524020.db2.gz QWOHZUQILDPFAJ-MCIONIFRSA-N 2 2 235.375 2.000 20 30 BEEDLP C#C[C@H](C)[NH2+]Cc1c[nH+]c(C)n1-c1ccccc1 ZINC000123130170 386537737 /nfs/dbraw/zinc/53/77/37/386537737.db2.gz QGVAZYBLSVFOKM-LBPRGKRZSA-N 2 2 239.322 2.292 20 30 BEEDLP CCN(CCC[NH+](C)C)c1cc(C)[nH+]cc1C#N ZINC000399513778 386931397 /nfs/dbraw/zinc/93/13/97/386931397.db2.gz MJBXMTSKSBVRRC-UHFFFAOYSA-N 2 2 246.358 2.040 20 30 BEEDLP C[C@H]1CC[N@H+](CCCCC#N)C[C@H]1n1cc[nH+]c1 ZINC000246371278 387080094 /nfs/dbraw/zinc/08/00/94/387080094.db2.gz YLYOMJWMZUGPNS-UONOGXRCSA-N 2 2 246.358 2.460 20 30 BEEDLP C[C@H]1CC[N@@H+](CCCCC#N)C[C@H]1n1cc[nH+]c1 ZINC000246371278 387080097 /nfs/dbraw/zinc/08/00/97/387080097.db2.gz YLYOMJWMZUGPNS-UONOGXRCSA-N 2 2 246.358 2.460 20 30 BEEDLP C=CCC(C)(C)C[NH2+]Cc1c[nH+]c(C)n1C ZINC000572179902 387256712 /nfs/dbraw/zinc/25/67/12/387256712.db2.gz HLMDNDUYDZNCOR-UHFFFAOYSA-N 2 2 221.348 2.420 20 30 BEEDLP C=CC[NH+]1CCC([NH2+]Cc2ccnc(C)c2)CC1 ZINC000527656641 387662413 /nfs/dbraw/zinc/66/24/13/387662413.db2.gz JAOXVENCVALCKV-UHFFFAOYSA-N 2 2 245.370 2.130 20 30 BEEDLP C=CC(C)(C)CC[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000527734769 387682828 /nfs/dbraw/zinc/68/28/28/387682828.db2.gz JMEIYBBSZVFRRF-NEPJUHHUSA-N 2 2 210.365 2.128 20 30 BEEDLP C=CC(C)(C)CC[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000527734769 387682830 /nfs/dbraw/zinc/68/28/30/387682830.db2.gz JMEIYBBSZVFRRF-NEPJUHHUSA-N 2 2 210.365 2.128 20 30 BEEDLP CC[N@H+]1C[C@H]([NH2+]CC2CCC(C#N)CC2)[C@@H](C)C1 ZINC000441389433 387757345 /nfs/dbraw/zinc/75/73/45/387757345.db2.gz ZLSQXHCVLDETLR-PPWQZUPISA-N 2 2 249.402 2.246 20 30 BEEDLP CC[N@@H+]1C[C@H]([NH2+]CC2CCC(C#N)CC2)[C@@H](C)C1 ZINC000441389433 387757350 /nfs/dbraw/zinc/75/73/50/387757350.db2.gz ZLSQXHCVLDETLR-PPWQZUPISA-N 2 2 249.402 2.246 20 30 BEEDLP C=CC[NH+]1CCC([NH2+][C@H](C)[C@@H]2CC23CC3)CC1 ZINC000527859235 387758145 /nfs/dbraw/zinc/75/81/45/387758145.db2.gz ODUQMDIFAPRHQS-OCCSQVGLSA-N 2 2 234.387 2.415 20 30 BEEDLP C[C@H](C[NH2+][C@@H]1CC[C@@H](C#N)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000442719233 387828806 /nfs/dbraw/zinc/82/88/06/387828806.db2.gz RHORJQGDCKWWNA-KBUPBQIOSA-N 2 2 249.402 2.389 20 30 BEEDLP C[C@H](C[NH2+][C@@H]1CC[C@@H](C#N)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000442719233 387828807 /nfs/dbraw/zinc/82/88/07/387828807.db2.gz RHORJQGDCKWWNA-KBUPBQIOSA-N 2 2 249.402 2.389 20 30 BEEDLP Cc1c[nH+]ccc1CC[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000442841181 387849568 /nfs/dbraw/zinc/84/95/68/387849568.db2.gz FXTNWRDQVPNEKW-OCCSQVGLSA-N 2 2 229.327 2.214 20 30 BEEDLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000442854823 387852165 /nfs/dbraw/zinc/85/21/65/387852165.db2.gz JMBGABGSLHBIFX-IHRRRGAJSA-N 2 2 249.402 2.389 20 30 BEEDLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000442854823 387852170 /nfs/dbraw/zinc/85/21/70/387852170.db2.gz JMBGABGSLHBIFX-IHRRRGAJSA-N 2 2 249.402 2.389 20 30 BEEDLP C=CC(C)(C)C[NH2+][C@@H]1C[N@H+](CC)C[C@H]1C ZINC000449484877 388216300 /nfs/dbraw/zinc/21/63/00/388216300.db2.gz JVSVJEMDALUTOW-VXGBXAGGSA-N 2 2 210.365 2.128 20 30 BEEDLP C=CC(C)(C)C[NH2+][C@@H]1C[N@@H+](CC)C[C@H]1C ZINC000449484877 388216302 /nfs/dbraw/zinc/21/63/02/388216302.db2.gz JVSVJEMDALUTOW-VXGBXAGGSA-N 2 2 210.365 2.128 20 30 BEEDLP C#C[C@H](C)[N@H+](C)CCCc1c[nH+]ccc1C ZINC000491618239 388305144 /nfs/dbraw/zinc/30/51/44/388305144.db2.gz CPHTWTSYZODPLI-ZDUSSCGKSA-N 2 2 216.328 2.276 20 30 BEEDLP C#C[C@H](C)[N@@H+](C)CCCc1c[nH+]ccc1C ZINC000491618239 388305145 /nfs/dbraw/zinc/30/51/45/388305145.db2.gz CPHTWTSYZODPLI-ZDUSSCGKSA-N 2 2 216.328 2.276 20 30 BEEDLP C[NH+](C)C1(C[NH2+]CC(C)(C)CCC#N)CC1 ZINC000397798477 388500274 /nfs/dbraw/zinc/50/02/74/388500274.db2.gz URZSQDSDLAHSLB-UHFFFAOYSA-N 2 2 223.364 2.000 20 30 BEEDLP C[C@@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]1)c1ccc(C#N)cc1 ZINC000422966482 388686226 /nfs/dbraw/zinc/68/62/26/388686226.db2.gz AGXBMTZYZMLCEQ-LALPHHSUSA-N 2 2 243.354 2.349 20 30 BEEDLP C[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@@H]1C)c1ccc(C#N)cc1 ZINC000357991380 388618953 /nfs/dbraw/zinc/61/89/53/388618953.db2.gz IVPBPOJLBDYODZ-SLEUVZQESA-N 2 2 243.354 2.159 20 30 BEEDLP C[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C)c1ccc(C#N)cc1 ZINC000357991380 388618957 /nfs/dbraw/zinc/61/89/57/388618957.db2.gz IVPBPOJLBDYODZ-SLEUVZQESA-N 2 2 243.354 2.159 20 30 BEEDLP C[C@H]([NH2+][C@H]1C[N@H+](C)C[C@@H]1C)c1ccc(C#N)cc1 ZINC000357991378 388619550 /nfs/dbraw/zinc/61/95/50/388619550.db2.gz IVPBPOJLBDYODZ-HUBLWGQQSA-N 2 2 243.354 2.159 20 30 BEEDLP C[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@@H]1C)c1ccc(C#N)cc1 ZINC000357991378 388619551 /nfs/dbraw/zinc/61/95/51/388619551.db2.gz IVPBPOJLBDYODZ-HUBLWGQQSA-N 2 2 243.354 2.159 20 30 BEEDLP C[C@H]([NH2+][C@H]1C[N@H+](C)C[C@H]1C)c1ccc(C#N)cc1 ZINC000357991385 388619609 /nfs/dbraw/zinc/61/96/09/388619609.db2.gz IVPBPOJLBDYODZ-XUJVJEKNSA-N 2 2 243.354 2.159 20 30 BEEDLP C[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@H]1C)c1ccc(C#N)cc1 ZINC000357991385 388619610 /nfs/dbraw/zinc/61/96/10/388619610.db2.gz IVPBPOJLBDYODZ-XUJVJEKNSA-N 2 2 243.354 2.159 20 30 BEEDLP C=CC[C@@H](C)[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000154551882 388626406 /nfs/dbraw/zinc/62/64/06/388626406.db2.gz UIGRHHWEVIKLDL-UPJWGTAASA-N 2 2 210.365 2.271 20 30 BEEDLP C=CC[C@@H](C)[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000154551882 388626408 /nfs/dbraw/zinc/62/64/08/388626408.db2.gz UIGRHHWEVIKLDL-UPJWGTAASA-N 2 2 210.365 2.271 20 30 BEEDLP C=CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000154551778 388626628 /nfs/dbraw/zinc/62/66/28/388626628.db2.gz UIGRHHWEVIKLDL-XQQFMLRXSA-N 2 2 210.365 2.271 20 30 BEEDLP C=CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000154551778 388626631 /nfs/dbraw/zinc/62/66/31/388626631.db2.gz UIGRHHWEVIKLDL-XQQFMLRXSA-N 2 2 210.365 2.271 20 30 BEEDLP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1Cc1cccc(C#N)c1 ZINC000063191708 388659691 /nfs/dbraw/zinc/65/96/91/388659691.db2.gz LEZNUOQMVKRVSK-SWLSCSKDSA-N 2 2 243.354 2.260 20 30 BEEDLP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1Cc1cccc(C#N)c1 ZINC000063191708 388659694 /nfs/dbraw/zinc/65/96/94/388659694.db2.gz LEZNUOQMVKRVSK-SWLSCSKDSA-N 2 2 243.354 2.260 20 30 BEEDLP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1ccc(C#N)c(F)c1 ZINC000423229794 388689539 /nfs/dbraw/zinc/68/95/39/388689539.db2.gz CBIHEXMQMNUJTK-GWCFXTLKSA-N 2 2 247.317 2.100 20 30 BEEDLP C[C@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccc(C#N)cc1F ZINC000423266748 388689954 /nfs/dbraw/zinc/68/99/54/388689954.db2.gz CFXHVSIQBYBWSR-XPTSAGLGSA-N 2 2 247.317 2.085 20 30 BEEDLP CC[NH2+]CC[NH2+][C@H](CC)c1ccc(C#N)cc1 ZINC000423245566 388689981 /nfs/dbraw/zinc/68/99/81/388689981.db2.gz YQPSFUVPPNPKSZ-CQSZACIVSA-N 2 2 231.343 2.208 20 30 BEEDLP CCC[NH2+]CC[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000423314192 388691019 /nfs/dbraw/zinc/69/10/19/388691019.db2.gz VLSMISCDQJPVCS-LBPRGKRZSA-N 2 2 231.343 2.208 20 30 BEEDLP CC[NH2+][C@H](C)C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000423377875 388693234 /nfs/dbraw/zinc/69/32/34/388693234.db2.gz KPBCZGJNCKMYHX-NEPJUHHUSA-N 2 2 231.343 2.207 20 30 BEEDLP C[N@H+](CCC[NH+]1CCCC1)Cc1ccc(C#N)o1 ZINC000281429299 388801782 /nfs/dbraw/zinc/80/17/82/388801782.db2.gz ZKTQXIPQCBHPPK-UHFFFAOYSA-N 2 2 247.342 2.069 20 30 BEEDLP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(C#N)o1 ZINC000281429299 388801789 /nfs/dbraw/zinc/80/17/89/388801789.db2.gz ZKTQXIPQCBHPPK-UHFFFAOYSA-N 2 2 247.342 2.069 20 30 BEEDLP N#C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCn3cc[nH+]c32)C1 ZINC000331625485 134000998 /nfs/dbraw/zinc/00/09/98/134000998.db2.gz YKXBKTYJJKQFBZ-UPJWGTAASA-N 2 2 244.342 2.042 20 30 BEEDLP N#C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCn3cc[nH+]c32)C1 ZINC000331625476 134001104 /nfs/dbraw/zinc/00/11/04/134001104.db2.gz YKXBKTYJJKQFBZ-AGIUHOORSA-N 2 2 244.342 2.042 20 30 BEEDLP C#CC[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000114480646 134161534 /nfs/dbraw/zinc/16/15/34/134161534.db2.gz OVXDSIHNIUFPIZ-UHFFFAOYSA-N 2 2 242.366 2.216 20 30 BEEDLP C#CC[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000114480646 134161535 /nfs/dbraw/zinc/16/15/35/134161535.db2.gz OVXDSIHNIUFPIZ-UHFFFAOYSA-N 2 2 242.366 2.216 20 30 BEEDLP CC[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@H](C)C#N ZINC000300404769 134228521 /nfs/dbraw/zinc/22/85/21/134228521.db2.gz WHZHWKPDYDOELD-ZIAGYGMSSA-N 2 2 237.391 2.342 20 30 BEEDLP CC[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@H](C)C#N ZINC000300404769 134228522 /nfs/dbraw/zinc/22/85/22/134228522.db2.gz WHZHWKPDYDOELD-ZIAGYGMSSA-N 2 2 237.391 2.342 20 30 BEEDLP CC[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@H](C)C#N ZINC000300404769 134228523 /nfs/dbraw/zinc/22/85/23/134228523.db2.gz WHZHWKPDYDOELD-ZIAGYGMSSA-N 2 2 237.391 2.342 20 30 BEEDLP CC[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@H](C)C#N ZINC000300404769 134228524 /nfs/dbraw/zinc/22/85/24/134228524.db2.gz WHZHWKPDYDOELD-ZIAGYGMSSA-N 2 2 237.391 2.342 20 30 BEEDLP CC#CC[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000120201460 134228555 /nfs/dbraw/zinc/22/85/55/134228555.db2.gz NZGHJFMFWZWVJK-INIZCTEOSA-N 2 2 248.414 2.454 20 30 BEEDLP CC#CC[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000120201460 134228556 /nfs/dbraw/zinc/22/85/56/134228556.db2.gz NZGHJFMFWZWVJK-INIZCTEOSA-N 2 2 248.414 2.454 20 30 BEEDLP C[C@@H]1CCC[N@H+](CC[NH2+][C@H]2CCC[C@H](C#N)C2)C1 ZINC000248838080 135022688 /nfs/dbraw/zinc/02/26/88/135022688.db2.gz NHQHCLHVXSGTRO-ILXRZTDVSA-N 2 2 249.402 2.390 20 30 BEEDLP C[C@@H]1CCC[N@@H+](CC[NH2+][C@H]2CCC[C@H](C#N)C2)C1 ZINC000248838080 135022689 /nfs/dbraw/zinc/02/26/89/135022689.db2.gz NHQHCLHVXSGTRO-ILXRZTDVSA-N 2 2 249.402 2.390 20 30 BEEDLP C=CCOc1ccccc1C[N@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000261988098 135269444 /nfs/dbraw/zinc/26/94/44/135269444.db2.gz JZPXYLJACUQCJU-OCCSQVGLSA-N 2 2 246.354 2.030 20 30 BEEDLP C=CCOc1ccccc1C[N@@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000261988098 135269445 /nfs/dbraw/zinc/26/94/45/135269445.db2.gz JZPXYLJACUQCJU-OCCSQVGLSA-N 2 2 246.354 2.030 20 30 BEEDLP C=CCOCCC[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000348050894 136031072 /nfs/dbraw/zinc/03/10/72/136031072.db2.gz PVBRIGOHDJCMSK-UHFFFAOYSA-N 2 2 249.358 2.182 20 30 BEEDLP C=CCC[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000271219171 166264499 /nfs/dbraw/zinc/26/44/99/166264499.db2.gz JUHCCYHWYKJIGW-OLZOCXBDSA-N 2 2 219.332 2.342 20 30 BEEDLP C=CCC[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000271219171 166264500 /nfs/dbraw/zinc/26/45/00/166264500.db2.gz JUHCCYHWYKJIGW-OLZOCXBDSA-N 2 2 219.332 2.342 20 30 BEEDLP C=CC[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000266449636 166353077 /nfs/dbraw/zinc/35/30/77/166353077.db2.gz XDUIXXZXZNCQRU-UHFFFAOYSA-N 2 2 217.316 2.144 20 30 BEEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccncc2)CC1 ZINC000179387832 166353616 /nfs/dbraw/zinc/35/36/16/166353616.db2.gz ISSKDTMRKCDURY-ZDUSSCGKSA-N 2 2 245.370 2.383 20 30 BEEDLP C=CC[C@@H]1CC[C@H]([NH2+]CCn2cc[nH+]c2)C1 ZINC000651668782 411134040 /nfs/dbraw/zinc/13/40/40/411134040.db2.gz YZVNPUGVVZVXGP-OLZOCXBDSA-N 2 2 219.332 2.218 20 30 BEEDLP C=CC[C@@H]1CC[C@@H]([NH2+]CCn2cc[nH+]c2)C1 ZINC000651668781 411134467 /nfs/dbraw/zinc/13/44/67/411134467.db2.gz YZVNPUGVVZVXGP-CHWSQXEVSA-N 2 2 219.332 2.218 20 30 BEEDLP C=CC[C@@H]1CC[C@@H]([NH2+]CCc2cn(C)c[nH+]2)C1 ZINC000651828667 411146456 /nfs/dbraw/zinc/14/64/56/411146456.db2.gz YEHYITNJVRGDFK-CHWSQXEVSA-N 2 2 233.359 2.297 20 30 BEEDLP C=CC[C@H]1CC[C@H]([NH2+]CCc2cn(C)c[nH+]2)C1 ZINC000651828670 411146581 /nfs/dbraw/zinc/14/65/81/411146581.db2.gz YEHYITNJVRGDFK-STQMWFEESA-N 2 2 233.359 2.297 20 30 BEEDLP C=CC[C@H]1CC[C@H]([NH2+]CC2([NH+](C)C)CC2)C1 ZINC000651833197 411147043 /nfs/dbraw/zinc/14/70/43/411147043.db2.gz TVBJSQGPSJNHBQ-STQMWFEESA-N 2 2 222.376 2.415 20 30 BEEDLP C=CC[C@H]1CCCC[C@@H]1[NH2+]CC[NH+](C)C ZINC000658016169 411198499 /nfs/dbraw/zinc/19/84/99/411198499.db2.gz XGCSDCXUBRSBNE-STQMWFEESA-N 2 2 210.365 2.273 20 30 BEEDLP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(C#N)cc2)C1 ZINC000328335768 170022024 /nfs/dbraw/zinc/02/20/24/170022024.db2.gz JBWPLKKOTYWYJT-DOMZBBRYSA-N 2 2 243.354 2.303 20 30 BEEDLP CC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(C#N)cc2)C1 ZINC000328335768 170022026 /nfs/dbraw/zinc/02/20/26/170022026.db2.gz JBWPLKKOTYWYJT-DOMZBBRYSA-N 2 2 243.354 2.303 20 30 BEEDLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000135690961 176268494 /nfs/dbraw/zinc/26/84/94/176268494.db2.gz YFGNXKWVUYFPSP-MFKMUULPSA-N 2 2 249.383 2.050 20 30 BEEDLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000135690961 176268495 /nfs/dbraw/zinc/26/84/95/176268495.db2.gz YFGNXKWVUYFPSP-MFKMUULPSA-N 2 2 249.383 2.050 20 30 BEEDLP C=CCC[C@H](C)[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000308893226 487835514 /nfs/dbraw/zinc/83/55/14/487835514.db2.gz YKNAULZOJXEKPU-STQMWFEESA-N 2 2 210.365 2.273 20 30 BEEDLP C=CCC[C@H](C)[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000308893226 487835520 /nfs/dbraw/zinc/83/55/20/487835520.db2.gz YKNAULZOJXEKPU-STQMWFEESA-N 2 2 210.365 2.273 20 30 BEEDLP CC[C@@H](CC#N)[NH2+]CC[C@H]1CCCC[N@@H+]1C ZINC000566982304 323030441 /nfs/dbraw/zinc/03/04/41/323030441.db2.gz UJFHPYWKTRZBBC-QWHCGFSZSA-N 2 2 223.364 2.143 20 30 BEEDLP CC[C@@H](CC#N)[NH2+]CC[C@H]1CCCC[N@H+]1C ZINC000566982304 323030442 /nfs/dbraw/zinc/03/04/42/323030442.db2.gz UJFHPYWKTRZBBC-QWHCGFSZSA-N 2 2 223.364 2.143 20 30 BEEDLP CC[C@@H](CC#N)[NH2+]CC[C@@H]1CCCC[N@@H+]1C ZINC000566982307 323030453 /nfs/dbraw/zinc/03/04/53/323030453.db2.gz UJFHPYWKTRZBBC-STQMWFEESA-N 2 2 223.364 2.143 20 30 BEEDLP CC[C@@H](CC#N)[NH2+]CC[C@@H]1CCCC[N@H+]1C ZINC000566982307 323030454 /nfs/dbraw/zinc/03/04/54/323030454.db2.gz UJFHPYWKTRZBBC-STQMWFEESA-N 2 2 223.364 2.143 20 30 BEEDLP C=CCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](CCC)C1 ZINC000389339385 488090664 /nfs/dbraw/zinc/09/06/64/488090664.db2.gz IXEQSCCLCNFZJV-QWHCGFSZSA-N 2 2 210.365 2.415 20 30 BEEDLP C=CCC[C@H](C)[NH2+][C@@H]1CC[N@H+](CCC)C1 ZINC000389339385 488090669 /nfs/dbraw/zinc/09/06/69/488090669.db2.gz IXEQSCCLCNFZJV-QWHCGFSZSA-N 2 2 210.365 2.415 20 30 BEEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC000667837047 488135767 /nfs/dbraw/zinc/13/57/67/488135767.db2.gz GMUOBYPZCUVQOG-SNPRPXQTSA-N 2 2 234.387 2.415 20 30 BEEDLP C=CCC[C@@H](C)[NH2+]CCCn1cc[nH+]c1 ZINC000096034257 518710838 /nfs/dbraw/zinc/71/08/38/518710838.db2.gz OTSNDEWESKRGEQ-GFCCVEGCSA-N 2 2 207.321 2.218 20 30 BEEDLP C=CCCCC[NH2+][C@@H]1C[N@H+](CC)C[C@H]1C ZINC000309061514 534694888 /nfs/dbraw/zinc/69/48/88/534694888.db2.gz WXUHJFZRKBAXAS-CHWSQXEVSA-N 2 2 210.365 2.273 20 30 BEEDLP C=CCCCC[NH2+][C@@H]1C[N@@H+](CC)C[C@H]1C ZINC000309061514 534694891 /nfs/dbraw/zinc/69/48/91/534694891.db2.gz WXUHJFZRKBAXAS-CHWSQXEVSA-N 2 2 210.365 2.273 20 30 BEEDLP CC(C)(CCC#N)C[N@@H+]1CCC[NH+]2CCC[C@@H]2C1 ZINC000371418705 534996073 /nfs/dbraw/zinc/99/60/73/534996073.db2.gz FESDIJQNALJZSI-CQSZACIVSA-N 2 2 249.402 2.486 20 30 BEEDLP CC(C)(CCC#N)C[N@H+]1CCC[NH+]2CCC[C@@H]2C1 ZINC000371418705 534996075 /nfs/dbraw/zinc/99/60/75/534996075.db2.gz FESDIJQNALJZSI-CQSZACIVSA-N 2 2 249.402 2.486 20 30 BEEDLP C[NH+](C)C[C@H]1CC[N@H+](Cc2csc(C#N)c2)C1 ZINC000892033258 582767542 /nfs/dbraw/zinc/76/75/42/582767542.db2.gz DHVUKUOGNQYNIS-LLVKDONJSA-N 2 2 249.383 2.003 20 30 BEEDLP C[NH+](C)C[C@H]1CC[N@@H+](Cc2csc(C#N)c2)C1 ZINC000892033258 582767545 /nfs/dbraw/zinc/76/75/45/582767545.db2.gz DHVUKUOGNQYNIS-LLVKDONJSA-N 2 2 249.383 2.003 20 30 BEEDLP C=CC[C@H](C)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000878058943 583359730 /nfs/dbraw/zinc/35/97/30/583359730.db2.gz DVVVRRLAZWUBHA-QWHCGFSZSA-N 2 2 219.332 2.485 20 30 BEEDLP C=CC[C@H](C)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000878058943 583359731 /nfs/dbraw/zinc/35/97/31/583359731.db2.gz DVVVRRLAZWUBHA-QWHCGFSZSA-N 2 2 219.332 2.485 20 30 BEEDLP C#C[C@H]([NH2+]Cc1c(C)cc[nH+]c1N)C(C)(C)C ZINC000894783753 583521007 /nfs/dbraw/zinc/52/10/07/583521007.db2.gz AASQCGFDEXGNAT-LBPRGKRZSA-N 2 2 231.343 2.110 20 30 BEEDLP C=C(C)C[C@H](CO)[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000895714908 583711160 /nfs/dbraw/zinc/71/11/60/583711160.db2.gz KZEPKRHRHFKJOP-OAHLLOKOSA-N 2 2 248.370 2.239 20 30 BEEDLP CC1(C)CC[N@H+](CC[NH2+][C@@H]2CCC[C@@H](C#N)C2)C1 ZINC000898035554 584079338 /nfs/dbraw/zinc/07/93/38/584079338.db2.gz UXOUCSYCFSEAQC-ZIAGYGMSSA-N 2 2 249.402 2.390 20 30 BEEDLP CC1(C)CC[N@@H+](CC[NH2+][C@@H]2CCC[C@@H](C#N)C2)C1 ZINC000898035554 584079340 /nfs/dbraw/zinc/07/93/40/584079340.db2.gz UXOUCSYCFSEAQC-ZIAGYGMSSA-N 2 2 249.402 2.390 20 30 BEEDLP C[C@@H]([NH2+][C@@H]1C[NH2+]CC1(C)C)c1cccc(C#N)c1 ZINC000902448149 584604752 /nfs/dbraw/zinc/60/47/52/584604752.db2.gz CZRQPZJNUTXJLS-BXUZGUMPSA-N 2 2 243.354 2.207 20 30 BEEDLP N#CC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CC1 ZINC000903222146 584737619 /nfs/dbraw/zinc/73/76/19/584737619.db2.gz WUCHUSSCEZGUMG-QXMXGUDHSA-N 2 2 245.370 2.038 20 30 BEEDLP N#CC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CC1 ZINC000903222146 584737620 /nfs/dbraw/zinc/73/76/20/584737620.db2.gz WUCHUSSCEZGUMG-QXMXGUDHSA-N 2 2 245.370 2.038 20 30 BEEDLP C=CCC[C@H](CC)[NH2+][C@H]1CC[N@H+](C)[C@H]1C ZINC000903300942 584744656 /nfs/dbraw/zinc/74/46/56/584744656.db2.gz LFWLYZXQOHGNMF-AVGNSLFASA-N 2 2 210.365 2.413 20 30 BEEDLP C=CCC[C@H](CC)[NH2+][C@H]1CC[N@@H+](C)[C@H]1C ZINC000903300942 584744658 /nfs/dbraw/zinc/74/46/58/584744658.db2.gz LFWLYZXQOHGNMF-AVGNSLFASA-N 2 2 210.365 2.413 20 30 BEEDLP C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H]1C ZINC000903302060 584745098 /nfs/dbraw/zinc/74/50/98/584745098.db2.gz YFBJIZHPRFJJKC-ZDEQEGDKSA-N 2 2 210.365 2.269 20 30 BEEDLP C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H]1C ZINC000903302060 584745099 /nfs/dbraw/zinc/74/50/99/584745099.db2.gz YFBJIZHPRFJJKC-ZDEQEGDKSA-N 2 2 210.365 2.269 20 30 BEEDLP Cc1cc(C#N)cc(C)c1C[N@@H+]1CCC[C@@H]1C[NH3+] ZINC000903424862 584765044 /nfs/dbraw/zinc/76/50/44/584765044.db2.gz JLWRXQKJKLNTON-CQSZACIVSA-N 2 2 243.354 2.098 20 30 BEEDLP Cc1cc(C#N)cc(C)c1C[N@H+]1CCC[C@@H]1C[NH3+] ZINC000903424862 584765046 /nfs/dbraw/zinc/76/50/46/584765046.db2.gz JLWRXQKJKLNTON-CQSZACIVSA-N 2 2 243.354 2.098 20 30 BEEDLP N#CC1(CCCC[N@H+]2CCC[C@H]([NH3+])C2)CCC1 ZINC000903713514 584793573 /nfs/dbraw/zinc/79/35/73/584793573.db2.gz UGVODDVFWPVODG-ZDUSSCGKSA-N 2 2 235.375 2.274 20 30 BEEDLP N#CC1(CCCC[N@@H+]2CCC[C@H]([NH3+])C2)CCC1 ZINC000903713514 584793575 /nfs/dbraw/zinc/79/35/75/584793575.db2.gz UGVODDVFWPVODG-ZDUSSCGKSA-N 2 2 235.375 2.274 20 30 BEEDLP C[NH2+]CC[N@H+](C)CCCCC1(C#N)CCC1 ZINC000903751389 584795549 /nfs/dbraw/zinc/79/55/49/584795549.db2.gz HZKDLYVUALCXQC-UHFFFAOYSA-N 2 2 223.364 2.002 20 30 BEEDLP C[NH2+]CC[N@@H+](C)CCCCC1(C#N)CCC1 ZINC000903751389 584795551 /nfs/dbraw/zinc/79/55/51/584795551.db2.gz HZKDLYVUALCXQC-UHFFFAOYSA-N 2 2 223.364 2.002 20 30 BEEDLP C=CC[N@@H+](CCOC)C[C@H]([NH3+])CCC(C)(C)C ZINC000904346691 584868281 /nfs/dbraw/zinc/86/82/81/584868281.db2.gz YGZRFXHXVYATOG-CYBMUJFWSA-N 2 2 242.407 2.274 20 30 BEEDLP C=CC[N@H+](CCOC)C[C@H]([NH3+])CCC(C)(C)C ZINC000904346691 584868282 /nfs/dbraw/zinc/86/82/82/584868282.db2.gz YGZRFXHXVYATOG-CYBMUJFWSA-N 2 2 242.407 2.274 20 30 BEEDLP C[C@@]1(C[NH2+]CC2(C#N)CCCCC2)CCC[NH2+]C1 ZINC000904379403 584876680 /nfs/dbraw/zinc/87/66/80/584876680.db2.gz UHCAOVVMKFWVGK-CQSZACIVSA-N 2 2 249.402 2.440 20 30 BEEDLP C=C(Cl)C[N@@H+](C)C1CC[NH+](CC)CC1 ZINC000749114477 585199486 /nfs/dbraw/zinc/19/94/86/585199486.db2.gz CMMOWIRWEAZGNM-UHFFFAOYSA-N 2 2 216.756 2.155 20 30 BEEDLP C=C(Cl)C[N@H+](C)C1CC[NH+](CC)CC1 ZINC000749114477 585199487 /nfs/dbraw/zinc/19/94/87/585199487.db2.gz CMMOWIRWEAZGNM-UHFFFAOYSA-N 2 2 216.756 2.155 20 30 BEEDLP C=CC[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@@H]1C)c1ccncc1 ZINC000766020448 585496165 /nfs/dbraw/zinc/49/61/65/585496165.db2.gz PVLGECOCKJIEIP-QEJZJMRPSA-N 2 2 245.370 2.239 20 30 BEEDLP C=CC[C@H]([NH2+][C@H]1C[N@H+](C)C[C@@H]1C)c1ccncc1 ZINC000766020448 585496166 /nfs/dbraw/zinc/49/61/66/585496166.db2.gz PVLGECOCKJIEIP-QEJZJMRPSA-N 2 2 245.370 2.239 20 30 BEEDLP C#CCCC[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000770028683 585569795 /nfs/dbraw/zinc/56/97/95/585569795.db2.gz MMPLNHREOXOCRT-CYBMUJFWSA-N 2 2 231.343 2.013 20 30 BEEDLP C#CCCC[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000770028683 585569796 /nfs/dbraw/zinc/56/97/96/585569796.db2.gz MMPLNHREOXOCRT-CYBMUJFWSA-N 2 2 231.343 2.013 20 30 BEEDLP C#CC[C@H]([NH2+]CC[NH+]1CCCC1)c1ccccc1 ZINC000775398743 585677519 /nfs/dbraw/zinc/67/75/19/585677519.db2.gz ATUUSFYTCGIBNS-INIZCTEOSA-N 2 2 242.366 2.436 20 30 BEEDLP C=CC[N@@H+](CCCn1cc[nH+]c1)C(C)C ZINC000775940952 585688374 /nfs/dbraw/zinc/68/83/74/585688374.db2.gz IRWFQGLRIAJJAA-UHFFFAOYSA-N 2 2 207.321 2.170 20 30 BEEDLP C=CC[N@H+](CCCn1cc[nH+]c1)C(C)C ZINC000775940952 585688375 /nfs/dbraw/zinc/68/83/75/585688375.db2.gz IRWFQGLRIAJJAA-UHFFFAOYSA-N 2 2 207.321 2.170 20 30 BEEDLP CN(C)c1cc[nH+]cc1C=[NH+]O[C@H]1CCCCO1 ZINC000776188320 585692496 /nfs/dbraw/zinc/69/24/96/585692496.db2.gz ZJVJBZKVJWQWGZ-ZDUSSCGKSA-N 2 2 249.314 2.025 20 30 BEEDLP CN(C)c1ccc(C=[NH+]Nc2cc[nH+]cc2)s1 ZINC000779810900 585766208 /nfs/dbraw/zinc/76/62/08/585766208.db2.gz ANUNQBCILVXZLN-UHFFFAOYSA-N 2 2 246.339 2.077 20 30 BEEDLP C#Cc1ccc(C[NH+]2CCC([NH+](C)C)CC2)cc1 ZINC000809547254 586506656 /nfs/dbraw/zinc/50/66/56/586506656.db2.gz NJDMNPDKROPSES-UHFFFAOYSA-N 2 2 242.366 2.194 20 30 BEEDLP C=CC[C@@H]1CC[C@@H]([NH2+][C@H]2CC[N@@H+](C)C2)C1 ZINC000845934504 588250747 /nfs/dbraw/zinc/25/07/47/588250747.db2.gz BVNGPZWKSGJENF-UPJWGTAASA-N 2 2 208.349 2.025 20 30 BEEDLP C=CC[C@@H]1CC[C@@H]([NH2+][C@H]2CC[N@H+](C)C2)C1 ZINC000845934504 588250748 /nfs/dbraw/zinc/25/07/48/588250748.db2.gz BVNGPZWKSGJENF-UPJWGTAASA-N 2 2 208.349 2.025 20 30 BEEDLP C#C[C@H]1CC[C@H]([NH2+][C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000872139321 589880236 /nfs/dbraw/zinc/88/02/36/589880236.db2.gz BSINKYWFFNLUPJ-ZQDZILKHSA-N 2 2 246.398 2.393 20 30 BEEDLP C#C[C@H]1CC[C@H]([NH2+][C@@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1 ZINC000872139321 589880238 /nfs/dbraw/zinc/88/02/38/589880238.db2.gz BSINKYWFFNLUPJ-ZQDZILKHSA-N 2 2 246.398 2.393 20 30 BEEDLP Cc1cc[nH+]c(N)c1C=[NH+]OCC1CCC1 ZINC000872391103 589931368 /nfs/dbraw/zinc/93/13/68/589931368.db2.gz NXQMRPZAIQOFBG-UHFFFAOYSA-N 2 2 219.288 2.123 20 30 BEEDLP C#CCCCCCC[NH2+]CCn1cc[nH+]c1 ZINC000876892207 590254845 /nfs/dbraw/zinc/25/48/45/590254845.db2.gz NDWQDGOCWMBSDI-UHFFFAOYSA-N 2 2 219.332 2.056 20 30 BEEDLP C#CCCCCCC[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000876930493 590258072 /nfs/dbraw/zinc/25/80/72/590258072.db2.gz XQQSBUKSXLLLPM-AWEZNQCLSA-N 2 2 233.359 2.445 20 30 BEEDLP C[C@H](CCC#N)C[NH2+]CC[N@@H+]1CCC[C@@H]1C ZINC000877154743 590293274 /nfs/dbraw/zinc/29/32/74/590293274.db2.gz YQEKFYMCZQCQPF-OLZOCXBDSA-N 2 2 223.364 2.000 20 30 BEEDLP C[C@H](CCC#N)C[NH2+]CC[N@H+]1CCC[C@@H]1C ZINC000877154743 590293275 /nfs/dbraw/zinc/29/32/75/590293275.db2.gz YQEKFYMCZQCQPF-OLZOCXBDSA-N 2 2 223.364 2.000 20 30 BEEDLP C=CC[C@H](C)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000878302570 590538567 /nfs/dbraw/zinc/53/85/67/590538567.db2.gz QVEJNZCGIWLALY-RYUDHWBXSA-N 2 2 219.332 2.174 20 30 BEEDLP C=CC[C@H](C)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000878302570 590538568 /nfs/dbraw/zinc/53/85/68/590538568.db2.gz QVEJNZCGIWLALY-RYUDHWBXSA-N 2 2 219.332 2.174 20 30 BEEDLP Cc1[nH]c(C2CC[NH+](CCC#N)CC2)[nH+]c1C ZINC000886670625 592297547 /nfs/dbraw/zinc/29/75/47/592297547.db2.gz SPFBCKYEPXFVGD-UHFFFAOYSA-N 2 2 232.331 2.120 20 30 BEEDLP N#CC1(C[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)CCCCC1 ZINC000925711645 634412424 /nfs/dbraw/zinc/41/24/24/634412424.db2.gz ZGQAZQOAXSVFSE-OLZOCXBDSA-N 2 2 247.386 2.320 20 30 BEEDLP Cc1ccc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]2)cc1C#N ZINC000925843068 635509796 /nfs/dbraw/zinc/50/97/96/635509796.db2.gz YXNCHJOQXXFKAG-IUODEOHRSA-N 2 2 243.354 2.097 20 30 BEEDLP Cc1ccc(C[NH2+][C@H]2CCC[NH2+][C@H]2C)cc1C#N ZINC000925838341 635499029 /nfs/dbraw/zinc/49/90/29/635499029.db2.gz LRAJHXWITZIADL-WFASDCNBSA-N 2 2 243.354 2.097 20 30 BEEDLP C=CC[NH+]1CCC([NH2+]C2CC(SC)C2)CC1 ZINC000924983323 635823882 /nfs/dbraw/zinc/82/38/82/635823882.db2.gz DPJJDTZCTDFVNE-UHFFFAOYSA-N 2 2 240.416 2.120 20 30 BEEDLP C[C@@H](CC(C)(C)C#N)[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000925197015 636376132 /nfs/dbraw/zinc/37/61/32/636376132.db2.gz JTRJSANGLTXVQD-STQMWFEESA-N 2 2 237.391 2.246 20 30 BEEDLP C[C@@H](CC(C)(C)C#N)[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000925197015 636376134 /nfs/dbraw/zinc/37/61/34/636376134.db2.gz JTRJSANGLTXVQD-STQMWFEESA-N 2 2 237.391 2.246 20 30 BEEDLP C=C(Cl)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903122313 637344936 /nfs/dbraw/zinc/34/49/36/637344936.db2.gz XJGHNIFWXOVJGI-VGPLMAKISA-N 2 2 240.778 2.486 20 30 BEEDLP C=C(Cl)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903122313 637344938 /nfs/dbraw/zinc/34/49/38/637344938.db2.gz XJGHNIFWXOVJGI-VGPLMAKISA-N 2 2 240.778 2.486 20 30 BEEDLP C[C@@H]1C[C@@H]([NH2+]Cc2csc(C#N)c2)CC[N@@H+]1C ZINC000921778872 643782367 /nfs/dbraw/zinc/78/23/67/643782367.db2.gz AUSBFDSJFGMAAE-PWSUYJOCSA-N 2 2 249.383 2.192 20 30 BEEDLP C[C@@H]1C[C@@H]([NH2+]Cc2csc(C#N)c2)CC[N@H+]1C ZINC000921778872 643782371 /nfs/dbraw/zinc/78/23/71/643782371.db2.gz AUSBFDSJFGMAAE-PWSUYJOCSA-N 2 2 249.383 2.192 20 30 BEEDLP C[NH+](C)C1(C)CC[NH+](CC2(CC#N)CC2)CC1 ZINC000709892213 712231095 /nfs/dbraw/zinc/23/10/95/712231095.db2.gz ITJFZBQZPXIQOD-UHFFFAOYSA-N 2 2 235.375 2.096 20 30 BEEDLP C[C@H](CC(C)(C)C#N)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000709992451 712238075 /nfs/dbraw/zinc/23/80/75/712238075.db2.gz WNXIZVYWGMOMLM-NEPJUHHUSA-N 2 2 234.347 2.190 20 30 BEEDLP C[C@@H](CC(C)(C)C#N)[NH2+]CC[NH+]1CCCC1 ZINC000695811976 1166689181 /nfs/dbraw/zinc/68/91/81/1166689181.db2.gz LKCAGKCNBVIUEY-LBPRGKRZSA-N 2 2 223.364 2.000 20 30 BEEDLP CC[NH+](CC)CC[NH2+][C@@H](C)CCCC#N ZINC001172476889 974774638 /nfs/dbraw/zinc/77/46/38/974774638.db2.gz SGPMWAISWZLXFL-LBPRGKRZSA-N 2 2 211.353 2.000 20 30 BEEDLP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(C)cc1F ZINC000686492372 960594474 /nfs/dbraw/zinc/59/44/74/960594474.db2.gz WDVFQRGPQGNSEW-UHFFFAOYSA-N 2 2 248.345 2.179 20 30 BEEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(C)cc1F ZINC000686492372 960594486 /nfs/dbraw/zinc/59/44/86/960594486.db2.gz WDVFQRGPQGNSEW-UHFFFAOYSA-N 2 2 248.345 2.179 20 30 BEEDLP CC[NH+](CC)CCC[C@@H](C)[N@H+](C)[C@H](C)C#N ZINC001167842011 961233920 /nfs/dbraw/zinc/23/39/20/961233920.db2.gz VSSOFRAODZZGOZ-CHWSQXEVSA-N 2 2 225.380 2.341 20 30 BEEDLP CC[NH+](CC)CCC[C@@H](C)[N@@H+](C)[C@H](C)C#N ZINC001167842011 961233924 /nfs/dbraw/zinc/23/39/24/961233924.db2.gz VSSOFRAODZZGOZ-CHWSQXEVSA-N 2 2 225.380 2.341 20 30 BEEDLP CC[NH+](CC)C1CC[NH+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC001254670025 1169821594 /nfs/dbraw/zinc/82/15/94/1169821594.db2.gz YBOHZSDLVMNQJP-UKRRQHHQSA-N 2 2 249.402 2.485 20 30 BEEDLP C[NH+](C)C1CCC([N@@H+]2CCCC[C@H]2C#N)CC1 ZINC001168323769 964452658 /nfs/dbraw/zinc/45/26/58/964452658.db2.gz CHASOJABKOPOSF-RUXDESIVSA-N 2 2 235.375 2.237 20 30 BEEDLP C[NH+](C)C1CCC([N@H+]2CCCC[C@H]2C#N)CC1 ZINC001168323769 964452665 /nfs/dbraw/zinc/45/26/65/964452665.db2.gz CHASOJABKOPOSF-RUXDESIVSA-N 2 2 235.375 2.237 20 30 BEEDLP Cc1cc(C#N)ccc1C[N@@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001205083510 967334306 /nfs/dbraw/zinc/33/43/06/967334306.db2.gz USHVRVBYJAHCBO-WFASDCNBSA-N 2 2 243.354 2.178 20 30 BEEDLP Cc1cc(C#N)ccc1C[N@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001205083510 967334315 /nfs/dbraw/zinc/33/43/15/967334315.db2.gz USHVRVBYJAHCBO-WFASDCNBSA-N 2 2 243.354 2.178 20 30 BEEDLP C#Cc1cccc(C[N@@H+]2C[C@@H](C)CC[C@@H]2C[NH3+])c1 ZINC001205828776 967842408 /nfs/dbraw/zinc/84/24/08/967842408.db2.gz MYUDZGPUAUUYBS-XJKSGUPXSA-N 2 2 242.366 2.227 20 30 BEEDLP C#Cc1cccc(C[N@H+]2C[C@@H](C)CC[C@@H]2C[NH3+])c1 ZINC001205828776 967842410 /nfs/dbraw/zinc/84/24/10/967842410.db2.gz MYUDZGPUAUUYBS-XJKSGUPXSA-N 2 2 242.366 2.227 20 30 BEEDLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CC1(C#N)CCCC1)C2 ZINC001169078445 969400705 /nfs/dbraw/zinc/40/07/05/969400705.db2.gz FPIOAGHUZRQLQX-BTTYYORXSA-N 2 2 247.386 2.285 20 30 BEEDLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CC1(C#N)CCCC1)C2 ZINC001169078445 969400711 /nfs/dbraw/zinc/40/07/11/969400711.db2.gz FPIOAGHUZRQLQX-BTTYYORXSA-N 2 2 247.386 2.285 20 30 BEEDLP N#C[C@@H]1CC[C@@H]([NH2+]Cc2ccc3[nH+]ccn3c2)C1 ZINC001254654386 969765182 /nfs/dbraw/zinc/76/51/82/969765182.db2.gz UNURFHJTDAHXJD-DGCLKSJQSA-N 2 2 240.310 2.116 20 30 BEEDLP N#C[C@H]1CC[C@@H]([NH2+]Cc2ccc3[nH+]ccn3c2)C1 ZINC001254654387 969766389 /nfs/dbraw/zinc/76/63/89/969766389.db2.gz UNURFHJTDAHXJD-WCQYABFASA-N 2 2 240.310 2.116 20 30 BEEDLP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1ccc(C#N)o1 ZINC001255951193 970580815 /nfs/dbraw/zinc/58/08/15/970580815.db2.gz NSXJEXPFNSROOF-GFCCVEGCSA-N 2 2 249.358 2.361 20 30 BEEDLP C[C@H](Cc1cccc(C#N)c1)[NH2+][C@@H](C)C[NH+](C)C ZINC001171178101 972805633 /nfs/dbraw/zinc/80/56/33/972805633.db2.gz CEMJHOXVJDFPOX-OLZOCXBDSA-N 2 2 245.370 2.029 20 30 BEEDLP C[NH+]1C(C)(C)CC([N@@H+]2CC[C@H](C#N)C2)CC1(C)C ZINC001171639747 974133340 /nfs/dbraw/zinc/13/33/40/974133340.db2.gz ROKCDIRCAFHGPK-GFCCVEGCSA-N 2 2 249.402 2.483 20 30 BEEDLP C[NH+]1C(C)(C)CC([N@H+]2CC[C@H](C#N)C2)CC1(C)C ZINC001171639747 974133346 /nfs/dbraw/zinc/13/33/46/974133346.db2.gz ROKCDIRCAFHGPK-GFCCVEGCSA-N 2 2 249.402 2.483 20 30 BEEDLP C[C@H](CCCC#N)[NH2+][C@H](C)C[NH+]1CCCC1 ZINC001172481251 974782073 /nfs/dbraw/zinc/78/20/73/974782073.db2.gz RPLTYRMPTDCBBK-CHWSQXEVSA-N 2 2 223.364 2.143 20 30 BEEDLP C[C@H](CCCC#N)[NH2+][C@@]1(C)CCC[N@H+](C)C1 ZINC001172493909 974842325 /nfs/dbraw/zinc/84/23/25/974842325.db2.gz WNZGOOKCEGUEPP-OLZOCXBDSA-N 2 2 223.364 2.143 20 30 BEEDLP C[C@H](CCCC#N)[NH2+][C@@]1(C)CCC[N@@H+](C)C1 ZINC001172493909 974842327 /nfs/dbraw/zinc/84/23/27/974842327.db2.gz WNZGOOKCEGUEPP-OLZOCXBDSA-N 2 2 223.364 2.143 20 30 BEEDLP Cc1[nH+]cc2n1CC[N@@H+]([C@H](C)CCCC#N)C2 ZINC001172496559 974847283 /nfs/dbraw/zinc/84/72/83/974847283.db2.gz NWLFQAPTKKJTGS-LLVKDONJSA-N 2 2 232.331 2.090 20 30 BEEDLP Cc1[nH+]cc2n1CC[N@H+]([C@H](C)CCCC#N)C2 ZINC001172496559 974847288 /nfs/dbraw/zinc/84/72/88/974847288.db2.gz NWLFQAPTKKJTGS-LLVKDONJSA-N 2 2 232.331 2.090 20 30 BEEDLP C#Cc1ccc(C[N@@H+](CC)[C@H]2CCC[NH2+]C2)cc1 ZINC001236005202 979290683 /nfs/dbraw/zinc/29/06/83/979290683.db2.gz BSNPJMCUCFAUFY-INIZCTEOSA-N 2 2 242.366 2.242 20 30 BEEDLP C#Cc1ccc(C[N@H+](CC)[C@H]2CCC[NH2+]C2)cc1 ZINC001236005202 979290695 /nfs/dbraw/zinc/29/06/95/979290695.db2.gz BSNPJMCUCFAUFY-INIZCTEOSA-N 2 2 242.366 2.242 20 30 BEEDLP CCCCCCCC[N@@H+]1C[C@H]([NH3+])C2(COC2)C1 ZINC001237172212 979826897 /nfs/dbraw/zinc/82/68/97/979826897.db2.gz DQMAHLJDWUSHIS-ZDUSSCGKSA-N 2 2 240.391 2.006 20 30 BEEDLP CCCCCCCC[N@H+]1C[C@H]([NH3+])C2(COC2)C1 ZINC001237172212 979826900 /nfs/dbraw/zinc/82/69/00/979826900.db2.gz DQMAHLJDWUSHIS-ZDUSSCGKSA-N 2 2 240.391 2.006 20 30 BEEDLP C[C@H]1CC[C@@H](C[NH3+])[N@H+](Cc2ccc(C#N)cc2)C1 ZINC001205805511 982568640 /nfs/dbraw/zinc/56/86/40/982568640.db2.gz QPHYFGGYLKYZTJ-WFASDCNBSA-N 2 2 243.354 2.117 20 30 BEEDLP C[C@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001205805511 982568647 /nfs/dbraw/zinc/56/86/47/982568647.db2.gz QPHYFGGYLKYZTJ-WFASDCNBSA-N 2 2 243.354 2.117 20 30 BEEDLP CCC[N@H+](CCC#N)[C@@H]1CCC[NH+](C)CC1 ZINC001254523633 986668902 /nfs/dbraw/zinc/66/89/02/986668902.db2.gz QKOIWJRZSXCDIA-CYBMUJFWSA-N 2 2 223.364 2.096 20 30 BEEDLP CCC[N@@H+](CCC#N)[C@@H]1CCC[NH+](C)CC1 ZINC001254523633 986668912 /nfs/dbraw/zinc/66/89/12/986668912.db2.gz QKOIWJRZSXCDIA-CYBMUJFWSA-N 2 2 223.364 2.096 20 30 BEEDLP CCC[NH+](CCC#N)[C@@H]1CCC[N@H+](C)CC1 ZINC001254523633 986668927 /nfs/dbraw/zinc/66/89/27/986668927.db2.gz QKOIWJRZSXCDIA-CYBMUJFWSA-N 2 2 223.364 2.096 20 30 BEEDLP CCC[NH+](CCC#N)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254523633 986668941 /nfs/dbraw/zinc/66/89/41/986668941.db2.gz QKOIWJRZSXCDIA-CYBMUJFWSA-N 2 2 223.364 2.096 20 30 BEEDLP CC[C@@H](CC#N)n1cc[nH+]c1[C@H]1CCC[NH2+]C1 ZINC001255173736 986867494 /nfs/dbraw/zinc/86/74/94/986867494.db2.gz DELXQPVSHYPKMZ-RYUDHWBXSA-N 2 2 232.331 2.215 20 30 BEEDLP CCCCCCC[C@H](CC)[NH2+][C@H]1C[NH2+]C[C@H]1O ZINC001246098692 987412644 /nfs/dbraw/zinc/41/26/44/987412644.db2.gz CYNSVVYRHZHPII-MELADBBJSA-N 2 2 242.407 2.048 20 30 BEEDLP CC(C)([NH2+][C@H]1CCC[NH2+]C1)c1ccc(C#N)cc1 ZINC001246178315 987551130 /nfs/dbraw/zinc/55/11/30/987551130.db2.gz MFQBGMVHTXFXFV-AWEZNQCLSA-N 2 2 243.354 2.135 20 30 BEEDLP CC[C@@H](CC#N)[N@@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001246578758 988089173 /nfs/dbraw/zinc/08/91/73/988089173.db2.gz BXXCTNYMRACZOA-STQMWFEESA-N 2 2 223.364 2.130 20 30 BEEDLP CC[C@@H](CC#N)[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001246578758 988089189 /nfs/dbraw/zinc/08/91/89/988089189.db2.gz BXXCTNYMRACZOA-STQMWFEESA-N 2 2 223.364 2.130 20 30 BEEDLP CCCC[N@H+](CCC#N)[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246769474 988455824 /nfs/dbraw/zinc/45/58/24/988455824.db2.gz KLIFTCJJAHIXKG-QWHCGFSZSA-N 2 2 223.364 2.143 20 30 BEEDLP CCCC[N@@H+](CCC#N)[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246769474 988455835 /nfs/dbraw/zinc/45/58/35/988455835.db2.gz KLIFTCJJAHIXKG-QWHCGFSZSA-N 2 2 223.364 2.143 20 30 BEEDLP C=CCC[C@@H](C)[N@H+](C)C1CC[NH+](C)CC1 ZINC001258726229 991668150 /nfs/dbraw/zinc/66/81/50/991668150.db2.gz RRSRHNKVOAFUCE-GFCCVEGCSA-N 2 2 210.365 2.367 20 30 BEEDLP C=CCC[C@@H](C)[N@@H+](C)C1CC[NH+](C)CC1 ZINC001258726229 991668155 /nfs/dbraw/zinc/66/81/55/991668155.db2.gz RRSRHNKVOAFUCE-GFCCVEGCSA-N 2 2 210.365 2.367 20 30 BEEDLP C#C[C@@H]([NH2+]C1CC([NH3+])C1)c1ccc(Cl)cc1 ZINC001574503738 992870955 /nfs/dbraw/zinc/87/09/55/992870955.db2.gz CEQPVZOCVILXOS-WXRRBKDZSA-N 2 2 234.730 2.094 20 30 BEEDLP C#Cc1ccc(C[NH2+]C[C@@H]2CCCCC[NH2+]2)cc1 ZINC001574757319 992899683 /nfs/dbraw/zinc/89/96/83/992899683.db2.gz LHXXIOVUGNIMJT-INIZCTEOSA-N 2 2 242.366 2.290 20 30 BEEDLP C[N@H+](Cc1cccc(C#N)c1)C1CC[NH+](C)CC1 ZINC000019436133 1170124239 /nfs/dbraw/zinc/12/42/39/1170124239.db2.gz IFVOHNKRSDRSIQ-UHFFFAOYSA-N 2 2 243.354 2.084 20 30 BEEDLP C[N@@H+](Cc1cccc(C#N)c1)C1CC[NH+](C)CC1 ZINC000019436133 1170124242 /nfs/dbraw/zinc/12/42/42/1170124242.db2.gz IFVOHNKRSDRSIQ-UHFFFAOYSA-N 2 2 243.354 2.084 20 30 BEEDLP CC[C@H](C#N)[NH2+][C@H](C)CCC[NH+](CC)CC ZINC000043539237 1171299618 /nfs/dbraw/zinc/29/96/18/1171299618.db2.gz ZPKMBKPWUYONNG-CHWSQXEVSA-N 2 2 225.380 2.389 20 30 BEEDLP CC(C)C[C@H](C[NH2+]C[C@@H](C)CCC#N)[NH+](C)C ZINC000602511275 349585233 /nfs/dbraw/zinc/58/52/33/349585233.db2.gz NVYSIBLAEGWNCD-UONOGXRCSA-N 2 2 239.407 2.492 20 30 BEEDLP CC(C)C[C@@H](C[NH2+]C[C@@H](C)CCC#N)[NH+](C)C ZINC000602511272 349585358 /nfs/dbraw/zinc/58/53/58/349585358.db2.gz NVYSIBLAEGWNCD-KBPBESRZSA-N 2 2 239.407 2.492 20 30 BEEDLP C[C@H](CCC#N)C[NH2+]CC[N@@H+]1CCCC[C@@H]1C ZINC000602514457 349586944 /nfs/dbraw/zinc/58/69/44/349586944.db2.gz JOPKOXZJFXAWQT-KGLIPLIRSA-N 2 2 237.391 2.390 20 30 BEEDLP C[C@H](CCC#N)C[NH2+]CC[N@H+]1CCCC[C@@H]1C ZINC000602514457 349586947 /nfs/dbraw/zinc/58/69/47/349586947.db2.gz JOPKOXZJFXAWQT-KGLIPLIRSA-N 2 2 237.391 2.390 20 30 BEEDLP C[C@@H](C[NH2+]C1CCC(C#N)CC1)[N@H+](C)C1CC1 ZINC000602544429 349588920 /nfs/dbraw/zinc/58/89/20/349588920.db2.gz RNGLSTMXZKUAGV-HIFPTAJRSA-N 2 2 235.375 2.141 20 30 BEEDLP C[C@@H](C[NH2+]C1CCC(C#N)CC1)[N@@H+](C)C1CC1 ZINC000602544429 349588922 /nfs/dbraw/zinc/58/89/22/349588922.db2.gz RNGLSTMXZKUAGV-HIFPTAJRSA-N 2 2 235.375 2.141 20 30 BEEDLP CCCC[N@H+](C)CC[NH2+]C[C@H](C)CCC#N ZINC000602563010 349601418 /nfs/dbraw/zinc/60/14/18/349601418.db2.gz JSQRKFQNVUBQCS-CYBMUJFWSA-N 2 2 225.380 2.248 20 30 BEEDLP CCCC[N@@H+](C)CC[NH2+]C[C@H](C)CCC#N ZINC000602563010 349601421 /nfs/dbraw/zinc/60/14/21/349601421.db2.gz JSQRKFQNVUBQCS-CYBMUJFWSA-N 2 2 225.380 2.248 20 30 BEEDLP C=CCC[C@H]([NH2+][C@H]1CCC[N@@H+](C)C1)C1CC1 ZINC000390576637 539026294 /nfs/dbraw/zinc/02/62/94/539026294.db2.gz WCHKUYLIDNWZAT-KBPBESRZSA-N 2 2 222.376 2.415 20 30 BEEDLP C=CCC[C@H]([NH2+][C@H]1CCC[N@H+](C)C1)C1CC1 ZINC000390576637 539026295 /nfs/dbraw/zinc/02/62/95/539026295.db2.gz WCHKUYLIDNWZAT-KBPBESRZSA-N 2 2 222.376 2.415 20 30 BEEDLP C=CCC[C@@H]([NH2+][C@H]1CCC[N@@H+](C)C1)C1CC1 ZINC000390576663 539026411 /nfs/dbraw/zinc/02/64/11/539026411.db2.gz WCHKUYLIDNWZAT-UONOGXRCSA-N 2 2 222.376 2.415 20 30 BEEDLP C=CCC[C@@H]([NH2+][C@H]1CCC[N@H+](C)C1)C1CC1 ZINC000390576663 539026412 /nfs/dbraw/zinc/02/64/12/539026412.db2.gz WCHKUYLIDNWZAT-UONOGXRCSA-N 2 2 222.376 2.415 20 30 BEEDLP C[C@@H](CCC#N)C[NH2+]CC1([NH+](C)C)CCC1 ZINC000602626845 349664485 /nfs/dbraw/zinc/66/44/85/349664485.db2.gz AAJYYQKELYYXMA-LBPRGKRZSA-N 2 2 223.364 2.000 20 30 BEEDLP CCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)CCC#N)C1 ZINC000602712140 349704734 /nfs/dbraw/zinc/70/47/34/349704734.db2.gz AGAPAOAVSGNHER-STQMWFEESA-N 2 2 223.364 2.000 20 30 BEEDLP CCC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)CCC#N)C1 ZINC000602712140 349704736 /nfs/dbraw/zinc/70/47/36/349704736.db2.gz AGAPAOAVSGNHER-STQMWFEESA-N 2 2 223.364 2.000 20 30 BEEDLP N#CCC1(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)CC1 ZINC000602771259 349725822 /nfs/dbraw/zinc/72/58/22/349725822.db2.gz BBTHUDIFIFDOHF-CYBMUJFWSA-N 2 2 244.342 2.214 20 30 BEEDLP N#CCC1(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)CC1 ZINC000602771259 349725826 /nfs/dbraw/zinc/72/58/26/349725826.db2.gz BBTHUDIFIFDOHF-CYBMUJFWSA-N 2 2 244.342 2.214 20 30 BEEDLP C[N@@H+]1CC[C@H]([NH2+]CCCC#N)[C@@H]1c1ccccc1 ZINC000284227658 136287102 /nfs/dbraw/zinc/28/71/02/136287102.db2.gz KCBGBNJTDBKBEU-GJZGRUSLSA-N 2 2 243.354 2.325 20 30 BEEDLP C[N@H+]1CC[C@H]([NH2+]CCCC#N)[C@@H]1c1ccccc1 ZINC000284227658 136287103 /nfs/dbraw/zinc/28/71/03/136287103.db2.gz KCBGBNJTDBKBEU-GJZGRUSLSA-N 2 2 243.354 2.325 20 30 BEEDLP CC1([NH+]2CCCC2)CC[NH+](CCCC#N)CC1 ZINC000602950042 349821325 /nfs/dbraw/zinc/82/13/25/349821325.db2.gz HRQFRYVPRNSSRP-UHFFFAOYSA-N 2 2 235.375 2.240 20 30 BEEDLP C[N@H+](CC[C@H]1CCC[NH+]1C)[C@@H]1CCC[C@@H]1C#N ZINC000602979384 349843901 /nfs/dbraw/zinc/84/39/01/349843901.db2.gz CSEPPWYENQNUOQ-MGPQQGTHSA-N 2 2 235.375 2.095 20 30 BEEDLP C[N@@H+](CC[C@H]1CCC[NH+]1C)[C@@H]1CCC[C@@H]1C#N ZINC000602979384 349843904 /nfs/dbraw/zinc/84/39/04/349843904.db2.gz CSEPPWYENQNUOQ-MGPQQGTHSA-N 2 2 235.375 2.095 20 30 BEEDLP C[NH+](CC[C@H]1CCC[N@@H+]1C)[C@@H]1CCC[C@@H]1C#N ZINC000602979384 349843906 /nfs/dbraw/zinc/84/39/06/349843906.db2.gz CSEPPWYENQNUOQ-MGPQQGTHSA-N 2 2 235.375 2.095 20 30 BEEDLP C[NH+](CC[C@H]1CCC[N@H+]1C)[C@@H]1CCC[C@@H]1C#N ZINC000602979384 349843909 /nfs/dbraw/zinc/84/39/09/349843909.db2.gz CSEPPWYENQNUOQ-MGPQQGTHSA-N 2 2 235.375 2.095 20 30 BEEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CC[C@H]2C2CC2)CC1 ZINC000348104960 537838632 /nfs/dbraw/zinc/83/86/32/537838632.db2.gz FJIGHEKYINQZIN-LSDHHAIUSA-N 2 2 234.387 2.415 20 30 BEEDLP C=C(C)CC[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000387514223 344553252 /nfs/dbraw/zinc/55/32/52/344553252.db2.gz ZCIBLFFNZKMHQE-RYUDHWBXSA-N 2 2 208.349 2.167 20 30 BEEDLP C=C(C)CC[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000387514223 344553254 /nfs/dbraw/zinc/55/32/54/344553254.db2.gz ZCIBLFFNZKMHQE-RYUDHWBXSA-N 2 2 208.349 2.167 20 30 BEEDLP C[C@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1ccc(C#N)cc1 ZINC000235523839 344931810 /nfs/dbraw/zinc/93/18/10/344931810.db2.gz ZCNJKIYPGNRKOO-WFASDCNBSA-N 2 2 243.354 2.351 20 30 BEEDLP CC#CCC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000156646148 187296225 /nfs/dbraw/zinc/29/62/25/187296225.db2.gz BZASYUPJVPGKEL-GFCCVEGCSA-N 2 2 217.316 2.003 20 30 BEEDLP C[C@@H]1CC[N@H+](CCCC#N)C[C@@H]1n1cc[nH+]c1 ZINC000136094383 345475510 /nfs/dbraw/zinc/47/55/10/345475510.db2.gz QGQGXFQNKHMABN-OLZOCXBDSA-N 2 2 232.331 2.070 20 30 BEEDLP C=CC[NH+]1CCC([NH2+]Cc2oc(C)nc2C)CC1 ZINC000628212158 345854081 /nfs/dbraw/zinc/85/40/81/345854081.db2.gz PABONRKGGFNINO-UHFFFAOYSA-N 2 2 249.358 2.031 20 30 BEEDLP C=CCCC[C@H](C)[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000336751492 347202985 /nfs/dbraw/zinc/20/29/85/347202985.db2.gz GJSNIADKQZDSGP-AGIUHOORSA-N 2 2 210.365 2.271 20 30 BEEDLP C=CCCC[C@H](C)[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000336751492 347202991 /nfs/dbraw/zinc/20/29/91/347202991.db2.gz GJSNIADKQZDSGP-AGIUHOORSA-N 2 2 210.365 2.271 20 30 BEEDLP C=CC[C@H](C)[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000119841596 347307995 /nfs/dbraw/zinc/30/79/95/347307995.db2.gz SSXNMVCWYOMJEI-SDDRHHMPSA-N 2 2 208.349 2.166 20 30 BEEDLP C=CC[C@H](C)[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000119841596 347307996 /nfs/dbraw/zinc/30/79/96/347307996.db2.gz SSXNMVCWYOMJEI-SDDRHHMPSA-N 2 2 208.349 2.166 20 30 BEEDLP C=CCCSCC[NH2+]Cc1c[nH+]c(C)n1C ZINC000594969717 348161947 /nfs/dbraw/zinc/16/19/47/348161947.db2.gz YYRIAKJRPVEIQE-UHFFFAOYSA-N 2 2 239.388 2.127 20 30 BEEDLP C=CCC[C@@H](C)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000336740837 166294331 /nfs/dbraw/zinc/29/43/31/166294331.db2.gz MOKXOZVJRNGFKM-MNOVXSKESA-N 2 2 219.332 2.211 20 30 BEEDLP C=CCC[C@@H](C)[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000336740837 166294335 /nfs/dbraw/zinc/29/43/35/166294335.db2.gz MOKXOZVJRNGFKM-MNOVXSKESA-N 2 2 219.332 2.211 20 30 BEEDLP CC[C@@H]([NH2+][C@H](C)C[NH2+]C)c1ccc(C#N)cc1 ZINC000596654775 348607631 /nfs/dbraw/zinc/60/76/31/348607631.db2.gz NILCZTWPGMWEFY-BXUZGUMPSA-N 2 2 231.343 2.207 20 30 BEEDLP CCC[N@H+](Cc1cccc(C#N)c1)[C@H]1CC[NH2+]C1 ZINC000071314715 350099248 /nfs/dbraw/zinc/09/92/48/350099248.db2.gz DUQOZGFUSFISDO-HNNXBMFYSA-N 2 2 243.354 2.132 20 30 BEEDLP CCC[N@@H+](Cc1cccc(C#N)c1)[C@H]1CC[NH2+]C1 ZINC000071314715 350099251 /nfs/dbraw/zinc/09/92/51/350099251.db2.gz DUQOZGFUSFISDO-HNNXBMFYSA-N 2 2 243.354 2.132 20 30 BEEDLP C=C(C)C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000336667459 350427701 /nfs/dbraw/zinc/42/77/01/350427701.db2.gz GMWTXQPKIDZSNL-CYBMUJFWSA-N 2 2 218.300 2.111 20 30 BEEDLP C=C(C)C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000336667459 350427705 /nfs/dbraw/zinc/42/77/05/350427705.db2.gz GMWTXQPKIDZSNL-CYBMUJFWSA-N 2 2 218.300 2.111 20 30 BEEDLP C[C@H](CCC#N)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000276322497 351615914 /nfs/dbraw/zinc/61/59/14/351615914.db2.gz OZAUQRCUXFUVCA-LLVKDONJSA-N 2 2 232.331 2.281 20 30 BEEDLP N#C[C@H]1CC[C@@H]([NH+]2CCC(c3[nH]cc[nH+]3)CC2)C1 ZINC000278778043 351783014 /nfs/dbraw/zinc/78/30/14/351783014.db2.gz ZENPKMPNXMFAJB-WCQYABFASA-N 2 2 244.342 2.281 20 30 BEEDLP C=CCOc1ccccc1C[NH2+]C[C@@H](C)[NH2+]CC ZINC000414955720 352374939 /nfs/dbraw/zinc/37/49/39/352374939.db2.gz MQYVPRIADOJXHE-CYBMUJFWSA-N 2 2 248.370 2.339 20 30 BEEDLP N#C[C@@H]1CC[C@@H]([NH+]2CCC(c3c[nH]c[nH+]3)CC2)C1 ZINC000334264227 352897875 /nfs/dbraw/zinc/89/78/75/352897875.db2.gz KTFHCOKJOVTQSA-DGCLKSJQSA-N 2 2 244.342 2.281 20 30 BEEDLP C#CCCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000289398465 353626880 /nfs/dbraw/zinc/62/68/80/353626880.db2.gz NPDYZPPMRSVVAH-HZPDHXFCSA-N 2 2 242.366 2.435 20 30 BEEDLP C#CCCC[NH2+][C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000289398465 353626885 /nfs/dbraw/zinc/62/68/85/353626885.db2.gz NPDYZPPMRSVVAH-HZPDHXFCSA-N 2 2 242.366 2.435 20 30 BEEDLP C#C[C@@H]([NH2+]Cc1cccc2[nH+]ccn21)C(C)(C)C ZINC000290147101 353649728 /nfs/dbraw/zinc/64/97/28/353649728.db2.gz KXIFHBNNOYFBLQ-CYBMUJFWSA-N 2 2 241.338 2.472 20 30 BEEDLP C#C[C@@H]([NH2+]Cc1cccc2[nH+]ccn21)C(C)C ZINC000289328637 353612833 /nfs/dbraw/zinc/61/28/33/353612833.db2.gz GLGNDVYYAKKDNI-CYBMUJFWSA-N 2 2 227.311 2.082 20 30 BEEDLP CC[N@@H+]1CC[C@H]([NH+](C)CC2(C#N)CC2)C[C@H]1C ZINC000343316598 353654438 /nfs/dbraw/zinc/65/44/38/353654438.db2.gz SZPKOPFRJUHUSE-OLZOCXBDSA-N 2 2 235.375 2.095 20 30 BEEDLP CC[N@H+]1CC[C@H]([NH+](C)CC2(C#N)CC2)C[C@H]1C ZINC000343316598 353654439 /nfs/dbraw/zinc/65/44/39/353654439.db2.gz SZPKOPFRJUHUSE-OLZOCXBDSA-N 2 2 235.375 2.095 20 30 BEEDLP CC[NH+]1CC[C@H]([N@H+](C)CC2(C#N)CC2)C[C@H]1C ZINC000343316598 353654442 /nfs/dbraw/zinc/65/44/42/353654442.db2.gz SZPKOPFRJUHUSE-OLZOCXBDSA-N 2 2 235.375 2.095 20 30 BEEDLP CC[NH+]1CC[C@H]([N@@H+](C)CC2(C#N)CC2)C[C@H]1C ZINC000343316598 353654444 /nfs/dbraw/zinc/65/44/44/353654444.db2.gz SZPKOPFRJUHUSE-OLZOCXBDSA-N 2 2 235.375 2.095 20 30 BEEDLP C=C(C[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C)c1ccccc1 ZINC000343802706 354006641 /nfs/dbraw/zinc/00/66/41/354006641.db2.gz DXDUCFROAIEDIA-ZFWWWQNUSA-N 2 2 230.355 2.240 20 30 BEEDLP C=C(C[NH2+][C@H]1C[N@H+](C)C[C@@H]1C)c1ccccc1 ZINC000343802706 354006643 /nfs/dbraw/zinc/00/66/43/354006643.db2.gz DXDUCFROAIEDIA-ZFWWWQNUSA-N 2 2 230.355 2.240 20 30 BEEDLP C=C(C[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C)c1ccccc1 ZINC000343802679 354006718 /nfs/dbraw/zinc/00/67/18/354006718.db2.gz DXDUCFROAIEDIA-DZGCQCFKSA-N 2 2 230.355 2.240 20 30 BEEDLP C=C(C[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C)c1ccccc1 ZINC000343802679 354006720 /nfs/dbraw/zinc/00/67/20/354006720.db2.gz DXDUCFROAIEDIA-DZGCQCFKSA-N 2 2 230.355 2.240 20 30 BEEDLP C=CCOc1cccc(C[N@H+]2CCC[C@@H]([NH3+])C2)c1 ZINC000346084430 354868362 /nfs/dbraw/zinc/86/83/62/354868362.db2.gz GNXNZHRDAIEFPO-CQSZACIVSA-N 2 2 246.354 2.175 20 30 BEEDLP C=CCOc1cccc(C[N@@H+]2CCC[C@@H]([NH3+])C2)c1 ZINC000346084430 354868365 /nfs/dbraw/zinc/86/83/65/354868365.db2.gz GNXNZHRDAIEFPO-CQSZACIVSA-N 2 2 246.354 2.175 20 30 BEEDLP C[C@H]1CC[N@H+](CC2(C#N)CC2)C[C@H]1n1cc[nH+]c1 ZINC000335896081 355690675 /nfs/dbraw/zinc/69/06/75/355690675.db2.gz IBYHKQSHTHDBRW-QWHCGFSZSA-N 2 2 244.342 2.070 20 30 BEEDLP C[C@H]1CC[N@@H+](CC2(C#N)CC2)C[C@H]1n1cc[nH+]c1 ZINC000335896081 355690676 /nfs/dbraw/zinc/69/06/76/355690676.db2.gz IBYHKQSHTHDBRW-QWHCGFSZSA-N 2 2 244.342 2.070 20 30 BEEDLP C[C@@H](CCC#N)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000351331138 355980369 /nfs/dbraw/zinc/98/03/69/355980369.db2.gz RLDIKOYHKHZGSC-GXTWGEPZSA-N 2 2 245.326 2.227 20 30 BEEDLP C[C@@H](CCC#N)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000351331138 355980371 /nfs/dbraw/zinc/98/03/71/355980371.db2.gz RLDIKOYHKHZGSC-GXTWGEPZSA-N 2 2 245.326 2.227 20 30 BEEDLP C[C@@H]1C[C@H]([NH+](C)CC2(C#N)CCC2)CC[N@@H+]1C ZINC000336186446 134121655 /nfs/dbraw/zinc/12/16/55/134121655.db2.gz VGDRWSAYZSESDH-CHWSQXEVSA-N 2 2 235.375 2.095 20 30 BEEDLP C[C@@H]1C[C@H]([NH+](C)CC2(C#N)CCC2)CC[N@H+]1C ZINC000336186446 134121656 /nfs/dbraw/zinc/12/16/56/134121656.db2.gz VGDRWSAYZSESDH-CHWSQXEVSA-N 2 2 235.375 2.095 20 30 BEEDLP C[C@@H]1C[C@H]([N@H+](C)CC2(C#N)CCC2)CC[NH+]1C ZINC000336186446 134121657 /nfs/dbraw/zinc/12/16/57/134121657.db2.gz VGDRWSAYZSESDH-CHWSQXEVSA-N 2 2 235.375 2.095 20 30 BEEDLP C[C@@H]1C[C@H]([N@@H+](C)CC2(C#N)CCC2)CC[NH+]1C ZINC000336186446 134121658 /nfs/dbraw/zinc/12/16/58/134121658.db2.gz VGDRWSAYZSESDH-CHWSQXEVSA-N 2 2 235.375 2.095 20 30 BEEDLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cc2)CC[N@@H+]1C ZINC000090721036 363596334 /nfs/dbraw/zinc/59/63/34/363596334.db2.gz ARCWPPBLRJARFZ-DOMZBBRYSA-N 2 2 243.354 2.131 20 30 BEEDLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cc2)CC[N@H+]1C ZINC000090721036 363596337 /nfs/dbraw/zinc/59/63/37/363596337.db2.gz ARCWPPBLRJARFZ-DOMZBBRYSA-N 2 2 243.354 2.131 20 30 BEEDLP CC[N@H+](CCC[NH+]1CCCCC1)C[C@H](C)C#N ZINC000124995145 358530383 /nfs/dbraw/zinc/53/03/83/358530383.db2.gz VUHPLMNNEKXVSY-CQSZACIVSA-N 2 2 237.391 2.344 20 30 BEEDLP CC[N@@H+](CCC[NH+]1CCCCC1)C[C@H](C)C#N ZINC000124995145 358530384 /nfs/dbraw/zinc/53/03/84/358530384.db2.gz VUHPLMNNEKXVSY-CQSZACIVSA-N 2 2 237.391 2.344 20 30 BEEDLP C=CCOc1cccc(C[NH2+][C@@H]2CC[NH2+][C@H]2C)c1 ZINC000629407418 361056222 /nfs/dbraw/zinc/05/62/22/361056222.db2.gz ZIWVKWFUNBUGRD-SWLSCSKDSA-N 2 2 246.354 2.091 20 30 BEEDLP C=CC[N@@H+](CCC#N)CCCCn1cc[nH+]c1C ZINC000428840537 201045312 /nfs/dbraw/zinc/04/53/12/201045312.db2.gz ADTLWJJKQRWVDV-UHFFFAOYSA-N 2 2 246.358 2.373 20 30 BEEDLP C=CC[N@H+](CCC#N)CCCCn1cc[nH+]c1C ZINC000428840537 201045313 /nfs/dbraw/zinc/04/53/13/201045313.db2.gz ADTLWJJKQRWVDV-UHFFFAOYSA-N 2 2 246.358 2.373 20 30 BEEDLP C=CC[N@@H+](CCC[NH2+]C)Cc1ccccc1F ZINC000435880008 201294026 /nfs/dbraw/zinc/29/40/26/201294026.db2.gz GQWREHKRPYGWQA-UHFFFAOYSA-N 2 2 236.334 2.423 20 30 BEEDLP C=CC[N@H+](CCC[NH2+]C)Cc1ccccc1F ZINC000435880008 201294029 /nfs/dbraw/zinc/29/40/29/201294029.db2.gz GQWREHKRPYGWQA-UHFFFAOYSA-N 2 2 236.334 2.423 20 30 BEEDLP C=CC1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000182776534 366939854 /nfs/dbraw/zinc/93/98/54/366939854.db2.gz BOGGNMUTTLVIGT-UHFFFAOYSA-N 2 2 219.332 2.171 20 30 BEEDLP C=CC[C@H](C)[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000252715014 367828918 /nfs/dbraw/zinc/82/89/18/367828918.db2.gz UIGRHHWEVIKLDL-YNEHKIRRSA-N 2 2 210.365 2.271 20 30 BEEDLP C=CC[C@H](C)[C@@H](C)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000252715014 367828921 /nfs/dbraw/zinc/82/89/21/367828921.db2.gz UIGRHHWEVIKLDL-YNEHKIRRSA-N 2 2 210.365 2.271 20 30 BEEDLP C[C@H]1C[C@H]([NH2+]CC(C)(C)CC#N)C[N@@H+]1C1CC1 ZINC000459726763 203342524 /nfs/dbraw/zinc/34/25/24/203342524.db2.gz FNIUBJKASYTBLG-RYUDHWBXSA-N 2 2 235.375 2.141 20 30 BEEDLP C[C@H]1C[C@H]([NH2+]CC(C)(C)CC#N)C[N@H+]1C1CC1 ZINC000459726763 203342527 /nfs/dbraw/zinc/34/25/27/203342527.db2.gz FNIUBJKASYTBLG-RYUDHWBXSA-N 2 2 235.375 2.141 20 30 BEEDLP N#Cc1ccc(C[NH2+][C@H](C[NH3+])C2CCCCC2)o1 ZINC000600769272 369562710 /nfs/dbraw/zinc/56/27/10/369562710.db2.gz LBFBNWOTVZJLNF-CQSZACIVSA-N 2 2 247.342 2.148 20 30 BEEDLP C=CC[C@@H](C)[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000624100894 371306924 /nfs/dbraw/zinc/30/69/24/371306924.db2.gz UIGRHHWEVIKLDL-JHJVBQTASA-N 2 2 210.365 2.271 20 30 BEEDLP C=CC[C@@H](C)[C@@H](C)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000624100894 371306927 /nfs/dbraw/zinc/30/69/27/371306927.db2.gz UIGRHHWEVIKLDL-JHJVBQTASA-N 2 2 210.365 2.271 20 30 BEEDLP C=CC[C@H](CC)[NH2+][C@@H]1C[N@H+](CC)C[C@@H]1C ZINC000336739305 205692274 /nfs/dbraw/zinc/69/22/74/205692274.db2.gz SKGPPVKPNGGTFY-RWMBFGLXSA-N 2 2 210.365 2.271 20 30 BEEDLP C=CC[C@H](CC)[NH2+][C@@H]1C[N@@H+](CC)C[C@@H]1C ZINC000336739305 205692280 /nfs/dbraw/zinc/69/22/80/205692280.db2.gz SKGPPVKPNGGTFY-RWMBFGLXSA-N 2 2 210.365 2.271 20 30 BEEDLP C[N@H+](CCC#N)Cc1ccc(-n2ccnc2)cc1 ZINC000078646265 384454312 /nfs/dbraw/zinc/45/43/12/384454312.db2.gz LXLVXFPWGORRCS-UHFFFAOYSA-N 2 2 240.310 2.218 20 30 BEEDLP C[N@@H+](CCC#N)Cc1ccc(-n2ccnc2)cc1 ZINC000078646265 384454317 /nfs/dbraw/zinc/45/43/17/384454317.db2.gz LXLVXFPWGORRCS-UHFFFAOYSA-N 2 2 240.310 2.218 20 30 BEEDLP C[N@H+](CCC#N)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000078646265 384454319 /nfs/dbraw/zinc/45/43/19/384454319.db2.gz LXLVXFPWGORRCS-UHFFFAOYSA-N 2 2 240.310 2.218 20 30 BEEDLP C[N@@H+](CCC#N)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000078646265 384454323 /nfs/dbraw/zinc/45/43/23/384454323.db2.gz LXLVXFPWGORRCS-UHFFFAOYSA-N 2 2 240.310 2.218 20 30 BEEDLP C#C[C@@H](CC)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000229885798 384461353 /nfs/dbraw/zinc/46/13/53/384461353.db2.gz HTTBOXCNTLOQIY-ZDUSSCGKSA-N 2 2 243.354 2.052 20 30 BEEDLP C[C@H]([NH2+][C@H]1C[NH2+]CC[C@H]1C)c1ccc(C#N)cc1 ZINC000423354648 384547721 /nfs/dbraw/zinc/54/77/21/384547721.db2.gz DDNXRTLKOBXOGG-XUJVJEKNSA-N 2 2 243.354 2.207 20 30 BEEDLP C[C@H]1C[C@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)C[N@@H+]1C1CC1 ZINC000449446920 384554343 /nfs/dbraw/zinc/55/43/43/384554343.db2.gz UOFWOPYYIMBRGI-XUXIUFHCSA-N 2 2 247.386 2.284 20 30 BEEDLP C[C@H]1C[C@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)C[N@H+]1C1CC1 ZINC000449446920 384554351 /nfs/dbraw/zinc/55/43/51/384554351.db2.gz UOFWOPYYIMBRGI-XUXIUFHCSA-N 2 2 247.386 2.284 20 30 BEEDLP CC#CCC[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000156772084 384952526 /nfs/dbraw/zinc/95/25/26/384952526.db2.gz FRNQOAVERWHGFC-ZIAGYGMSSA-N 2 2 231.343 2.179 20 30 BEEDLP CC#CCC[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000156772084 384952532 /nfs/dbraw/zinc/95/25/32/384952532.db2.gz FRNQOAVERWHGFC-ZIAGYGMSSA-N 2 2 231.343 2.179 20 30 BEEDLP CC(C)[N@H+](C)CC1CC[NH+](C(C)(C)C#N)CC1 ZINC000559451374 384925981 /nfs/dbraw/zinc/92/59/81/384925981.db2.gz SVFVDBJNCCMWAU-UHFFFAOYSA-N 2 2 237.391 2.341 20 30 BEEDLP CC(C)[N@@H+](C)CC1CC[NH+](C(C)(C)C#N)CC1 ZINC000559451374 384925985 /nfs/dbraw/zinc/92/59/85/384925985.db2.gz SVFVDBJNCCMWAU-UHFFFAOYSA-N 2 2 237.391 2.341 20 30 BEEDLP C=CCC[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)C1CC1 ZINC000227828205 385246452 /nfs/dbraw/zinc/24/64/52/385246452.db2.gz AXXHAFUMJJVJNV-ZIAGYGMSSA-N 2 2 222.376 2.415 20 30 BEEDLP C=CCC[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)C1CC1 ZINC000227828205 385246459 /nfs/dbraw/zinc/24/64/59/385246459.db2.gz AXXHAFUMJJVJNV-ZIAGYGMSSA-N 2 2 222.376 2.415 20 30 BEEDLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1ccc(C#N)cc1 ZINC000181580029 385513745 /nfs/dbraw/zinc/51/37/45/385513745.db2.gz LDELQRZAKAKQLH-WFASDCNBSA-N 2 2 243.354 2.303 20 30 BEEDLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1ccc(C#N)cc1 ZINC000181580029 385513749 /nfs/dbraw/zinc/51/37/49/385513749.db2.gz LDELQRZAKAKQLH-WFASDCNBSA-N 2 2 243.354 2.303 20 30 BEEDLP C=CC[NH+]1CCC([NH2+]C2CC(C)(C)C2)CC1 ZINC000309407619 385576797 /nfs/dbraw/zinc/57/67/97/385576797.db2.gz IDOJPUKUBURMMS-UHFFFAOYSA-N 2 2 222.376 2.415 20 30 BEEDLP C=CCOc1ccc(C[NH2+]C[C@@H]2CCC[NH2+]2)cc1 ZINC000414848973 385617229 /nfs/dbraw/zinc/61/72/29/385617229.db2.gz QKUBHADNTXPBIO-AWEZNQCLSA-N 2 2 246.354 2.093 20 30 BEEDLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+][C@H]2CC[C@@H](C#N)C2)C1 ZINC000595056144 385618937 /nfs/dbraw/zinc/61/89/37/385618937.db2.gz BKBQOAZYOHMYRH-AGIUHOORSA-N 2 2 235.375 2.141 20 30 BEEDLP CC(C)(C)[N@H+]1CC[C@H]([NH2+][C@H]2CC[C@@H](C#N)C2)C1 ZINC000595056144 385618942 /nfs/dbraw/zinc/61/89/42/385618942.db2.gz BKBQOAZYOHMYRH-AGIUHOORSA-N 2 2 235.375 2.141 20 30 BEEDLP C=CCOc1ccccc1C[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000414892583 386152644 /nfs/dbraw/zinc/15/26/44/386152644.db2.gz JIQZWQJMOOQDJB-CQSZACIVSA-N 2 2 246.354 2.078 20 30 BEEDLP C=CCOc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H]2C)cc1 ZINC000414768568 386443634 /nfs/dbraw/zinc/44/36/34/386443634.db2.gz KUMIVOYPLSNNTJ-IUODEOHRSA-N 2 2 246.354 2.173 20 30 BEEDLP C=CCOc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H]2C)cc1 ZINC000414768568 386443640 /nfs/dbraw/zinc/44/36/40/386443640.db2.gz KUMIVOYPLSNNTJ-IUODEOHRSA-N 2 2 246.354 2.173 20 30 BEEDLP C=CCOc1ccccc1C[N@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC000414773789 386466420 /nfs/dbraw/zinc/46/64/20/386466420.db2.gz SWUBMHHMDNADPB-TZMCWYRMSA-N 2 2 246.354 2.173 20 30 BEEDLP C=CCOc1ccccc1C[N@@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC000414773789 386466425 /nfs/dbraw/zinc/46/64/25/386466425.db2.gz SWUBMHHMDNADPB-TZMCWYRMSA-N 2 2 246.354 2.173 20 30 BEEDLP C=CCOc1cccc(C[N@H+]2CC[C@@H]([NH3+])[C@H]2C)c1 ZINC000414772246 386459261 /nfs/dbraw/zinc/45/92/61/386459261.db2.gz QSSPWYUBVRRDEZ-IUODEOHRSA-N 2 2 246.354 2.173 20 30 BEEDLP C=CCOc1cccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H]2C)c1 ZINC000414772246 386459267 /nfs/dbraw/zinc/45/92/67/386459267.db2.gz QSSPWYUBVRRDEZ-IUODEOHRSA-N 2 2 246.354 2.173 20 30 BEEDLP C=CCOc1cccc(C[NH2+]C[C@H]2CCC[NH2+]2)c1 ZINC000414842075 386749954 /nfs/dbraw/zinc/74/99/54/386749954.db2.gz IKXSVJOPKKGXDG-CQSZACIVSA-N 2 2 246.354 2.093 20 30 BEEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CC[C@H]2SC)CC1 ZINC000425339738 386838746 /nfs/dbraw/zinc/83/87/46/386838746.db2.gz CWRNSGPPCNGLGW-CHWSQXEVSA-N 2 2 240.416 2.120 20 30 BEEDLP C=CC[NH+]1CCC([NH2+][C@H]2CC[C@H]2SC)CC1 ZINC000425339740 386840592 /nfs/dbraw/zinc/84/05/92/386840592.db2.gz CWRNSGPPCNGLGW-QWHCGFSZSA-N 2 2 240.416 2.120 20 30 BEEDLP CC[NH+](CC)CC[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000192595395 386994425 /nfs/dbraw/zinc/99/44/25/386994425.db2.gz ZSQSCUSAHTXPDS-STQMWFEESA-N 2 2 223.364 2.000 20 30 BEEDLP C=C1CC[NH+](Cc2cccc3[nH+]ccn32)CC1 ZINC000271702810 387447936 /nfs/dbraw/zinc/44/79/36/387447936.db2.gz DLUQTQBSUNYZPW-UHFFFAOYSA-N 2 2 227.311 2.486 20 30 BEEDLP C=CCC[C@@H]([NH2+]C[C@@H](C)[NH3+])c1ccco1 ZINC000643527210 387763813 /nfs/dbraw/zinc/76/38/13/387763813.db2.gz KSKDMQJOWCNTMR-GHMZBOCLSA-N 2 2 208.305 2.224 20 30 BEEDLP CC(C)C[C@H](C[NH2+][C@H]1CC[C@H](C#N)C1)[NH+](C)C ZINC000442711247 387826023 /nfs/dbraw/zinc/82/60/23/387826023.db2.gz DTIZFPHBACOCTK-MELADBBJSA-N 2 2 237.391 2.245 20 30 BEEDLP C[C@H](C[NH2+][C@H]1CC[C@@H](C#N)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000442719236 387829433 /nfs/dbraw/zinc/82/94/33/387829433.db2.gz RHORJQGDCKWWNA-TUVASFSCSA-N 2 2 249.402 2.389 20 30 BEEDLP C[C@H](C[NH2+][C@H]1CC[C@@H](C#N)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000442719236 387829437 /nfs/dbraw/zinc/82/94/37/387829437.db2.gz RHORJQGDCKWWNA-TUVASFSCSA-N 2 2 249.402 2.389 20 30 BEEDLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000442726223 387831009 /nfs/dbraw/zinc/83/10/09/387831009.db2.gz RVJXQFSIMHYYGE-MGPQQGTHSA-N 2 2 235.375 2.143 20 30 BEEDLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000442775667 387836888 /nfs/dbraw/zinc/83/68/88/387836888.db2.gz AXZLCLWFKJNRQO-BFHYXJOUSA-N 2 2 235.375 2.143 20 30 BEEDLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000442775667 387836894 /nfs/dbraw/zinc/83/68/94/387836894.db2.gz AXZLCLWFKJNRQO-BFHYXJOUSA-N 2 2 235.375 2.143 20 30 BEEDLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000442854824 387851010 /nfs/dbraw/zinc/85/10/10/387851010.db2.gz JMBGABGSLHBIFX-MCIONIFRSA-N 2 2 249.402 2.389 20 30 BEEDLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000442854824 387851014 /nfs/dbraw/zinc/85/10/14/387851014.db2.gz JMBGABGSLHBIFX-MCIONIFRSA-N 2 2 249.402 2.389 20 30 BEEDLP C=CCC[C@@H](CCC)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643537399 387875719 /nfs/dbraw/zinc/87/57/19/387875719.db2.gz GUCLZLHKXNPESJ-XQQFMLRXSA-N 2 2 228.355 2.411 20 30 BEEDLP C[C@@H]1[C@H]([NH2+][C@H]2CCC[C@@H](C#N)C2)CCC[N@@H+]1C ZINC000446763563 388037032 /nfs/dbraw/zinc/03/70/32/388037032.db2.gz WXDKMNVASQNYLG-YIYPIFLZSA-N 2 2 235.375 2.141 20 30 BEEDLP C[C@@H]1[C@H]([NH2+][C@H]2CCC[C@@H](C#N)C2)CCC[N@H+]1C ZINC000446763563 388037036 /nfs/dbraw/zinc/03/70/36/388037036.db2.gz WXDKMNVASQNYLG-YIYPIFLZSA-N 2 2 235.375 2.141 20 30 BEEDLP C=CCC[C@H](C)[NH2+]CC1([NH+](C)C)CCC1 ZINC000165151216 388250984 /nfs/dbraw/zinc/25/09/84/388250984.db2.gz VXTMTELGRWFZCB-LBPRGKRZSA-N 2 2 210.365 2.415 20 30 BEEDLP C=CC(C)(C)C[NH2+][C@H]1C[N@H+](CC)C[C@@H]1C ZINC000449484876 388216019 /nfs/dbraw/zinc/21/60/19/388216019.db2.gz JVSVJEMDALUTOW-RYUDHWBXSA-N 2 2 210.365 2.128 20 30 BEEDLP C=CC(C)(C)C[NH2+][C@H]1C[N@@H+](CC)C[C@@H]1C ZINC000449484876 388216021 /nfs/dbraw/zinc/21/60/21/388216021.db2.gz JVSVJEMDALUTOW-RYUDHWBXSA-N 2 2 210.365 2.128 20 30 BEEDLP C=C[C@H]1CCCC[N@H+]1CCn1cc[nH+]c1C ZINC000489504466 388219748 /nfs/dbraw/zinc/21/97/48/388219748.db2.gz AFFQJMVKLRDLAW-ZDUSSCGKSA-N 2 2 219.332 2.232 20 30 BEEDLP C=C[C@H]1CCCC[N@@H+]1CCn1cc[nH+]c1C ZINC000489504466 388219751 /nfs/dbraw/zinc/21/97/51/388219751.db2.gz AFFQJMVKLRDLAW-ZDUSSCGKSA-N 2 2 219.332 2.232 20 30 BEEDLP C[C@H]([NH2+]CCn1cc[nH+]c1)c1cccc(C#N)c1 ZINC000041119737 388233516 /nfs/dbraw/zinc/23/35/16/388233516.db2.gz BMWARLYJMNTITF-LBPRGKRZSA-N 2 2 240.310 2.106 20 30 BEEDLP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(C#N)o2)C1 ZINC000175013058 388444980 /nfs/dbraw/zinc/44/49/80/388444980.db2.gz NMTULDXUELDDNO-NEPJUHHUSA-N 2 2 247.342 2.114 20 30 BEEDLP C[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@H]1C)c1ccc(C#N)cc1 ZINC000357991382 388619045 /nfs/dbraw/zinc/61/90/45/388619045.db2.gz IVPBPOJLBDYODZ-TYNCELHUSA-N 2 2 243.354 2.159 20 30 BEEDLP C[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@H]1C)c1ccc(C#N)cc1 ZINC000357991382 388619047 /nfs/dbraw/zinc/61/90/47/388619047.db2.gz IVPBPOJLBDYODZ-TYNCELHUSA-N 2 2 243.354 2.159 20 30 BEEDLP CC[NH2+][C@H](C)C[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000423389527 388693120 /nfs/dbraw/zinc/69/31/20/388693120.db2.gz VCLMUAOIBSIPPZ-GHMZBOCLSA-N 2 2 249.333 2.346 20 30 BEEDLP C[C@H]([NH2+]CC[NH+]1CCCC1)c1ccc(C#N)cc1 ZINC000020126821 388755740 /nfs/dbraw/zinc/75/57/40/388755740.db2.gz LBEUNTSVXNECHU-ZDUSSCGKSA-N 2 2 243.354 2.305 20 30 BEEDLP C[NH+](C)C[C@H]1CC[N@H+](Cc2cc(C#N)cs2)C1 ZINC000125550767 388789869 /nfs/dbraw/zinc/78/98/69/388789869.db2.gz ZODWASNKPMCGRY-LLVKDONJSA-N 2 2 249.383 2.003 20 30 BEEDLP C[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(C#N)cs2)C1 ZINC000125550767 388789872 /nfs/dbraw/zinc/78/98/72/388789872.db2.gz ZODWASNKPMCGRY-LLVKDONJSA-N 2 2 249.383 2.003 20 30 BEEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCC[C@H]3C[C@H]32)CC1 ZINC000554724982 388828520 /nfs/dbraw/zinc/82/85/20/388828520.db2.gz GMUOBYPZCUVQOG-CFVMTHIKSA-N 2 2 234.387 2.415 20 30 BEEDLP C[C@@H]1C[C@@H]([NH+](C)CC2(C#N)CCC2)CC[N@@H+]1C ZINC000336186451 134121492 /nfs/dbraw/zinc/12/14/92/134121492.db2.gz VGDRWSAYZSESDH-OLZOCXBDSA-N 2 2 235.375 2.095 20 30 BEEDLP C[C@@H]1C[C@@H]([NH+](C)CC2(C#N)CCC2)CC[N@H+]1C ZINC000336186451 134121493 /nfs/dbraw/zinc/12/14/93/134121493.db2.gz VGDRWSAYZSESDH-OLZOCXBDSA-N 2 2 235.375 2.095 20 30 BEEDLP C[C@@H]1C[C@@H]([N@H+](C)CC2(C#N)CCC2)CC[NH+]1C ZINC000336186451 134121494 /nfs/dbraw/zinc/12/14/94/134121494.db2.gz VGDRWSAYZSESDH-OLZOCXBDSA-N 2 2 235.375 2.095 20 30 BEEDLP C[C@@H]1C[C@@H]([N@@H+](C)CC2(C#N)CCC2)CC[NH+]1C ZINC000336186451 134121495 /nfs/dbraw/zinc/12/14/95/134121495.db2.gz VGDRWSAYZSESDH-OLZOCXBDSA-N 2 2 235.375 2.095 20 30 BEEDLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](CCCCC#N)C1 ZINC000365661528 135007614 /nfs/dbraw/zinc/00/76/14/135007614.db2.gz HJENYEVPBHSKEL-CYBMUJFWSA-N 2 2 246.358 2.293 20 30 BEEDLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](CCCCC#N)C1 ZINC000365661528 135007616 /nfs/dbraw/zinc/00/76/16/135007616.db2.gz HJENYEVPBHSKEL-CYBMUJFWSA-N 2 2 246.358 2.293 20 30 BEEDLP N#C[C@@H]1CC[C@H]([N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1 ZINC000293809250 135183390 /nfs/dbraw/zinc/18/33/90/135183390.db2.gz OBHZELZJRDCXCB-UPJWGTAASA-N 2 2 244.342 2.281 20 30 BEEDLP N#C[C@@H]1CC[C@H]([N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1 ZINC000293809250 135183392 /nfs/dbraw/zinc/18/33/92/135183392.db2.gz OBHZELZJRDCXCB-UPJWGTAASA-N 2 2 244.342 2.281 20 30 BEEDLP C=CC[NH+]1CCC([NH2+][C@H](C)C(C)(C)OC)CC1 ZINC000340479830 135186810 /nfs/dbraw/zinc/18/68/10/135186810.db2.gz UPNSTFVDJRPRPY-GFCCVEGCSA-N 2 2 240.391 2.040 20 30 BEEDLP C=CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000284342816 135371781 /nfs/dbraw/zinc/37/17/81/135371781.db2.gz RGYKNRRHZZGGBE-ZIAGYGMSSA-N 2 2 216.328 2.207 20 30 BEEDLP C=CC[NH2+][C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000284342816 135371784 /nfs/dbraw/zinc/37/17/84/135371784.db2.gz RGYKNRRHZZGGBE-ZIAGYGMSSA-N 2 2 216.328 2.207 20 30 BEEDLP C#CCCC[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000271195089 166129918 /nfs/dbraw/zinc/12/99/18/166129918.db2.gz DGFCPAHDUNXTLQ-KBPBESRZSA-N 2 2 231.343 2.179 20 30 BEEDLP C#CCCC[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000271195089 166129920 /nfs/dbraw/zinc/12/99/20/166129920.db2.gz DGFCPAHDUNXTLQ-KBPBESRZSA-N 2 2 231.343 2.179 20 30 BEEDLP C=CCC[C@H](C)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000336740838 166301067 /nfs/dbraw/zinc/30/10/67/166301067.db2.gz MOKXOZVJRNGFKM-QWRGUYRKSA-N 2 2 219.332 2.211 20 30 BEEDLP C=CCC[C@H](C)[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000336740838 166301069 /nfs/dbraw/zinc/30/10/69/166301069.db2.gz MOKXOZVJRNGFKM-QWRGUYRKSA-N 2 2 219.332 2.211 20 30 BEEDLP C=CC[C@H]1CC[C@@H]([NH2+]CCn2cc[nH+]c2)C1 ZINC000651668783 411134273 /nfs/dbraw/zinc/13/42/73/411134273.db2.gz YZVNPUGVVZVXGP-QWHCGFSZSA-N 2 2 219.332 2.218 20 30 BEEDLP C=CC[C@@H]1CC[C@@H]([NH2+]CC2([NH+](C)C)CC2)C1 ZINC000651833194 411146961 /nfs/dbraw/zinc/14/69/61/411146961.db2.gz TVBJSQGPSJNHBQ-CHWSQXEVSA-N 2 2 222.376 2.415 20 30 BEEDLP C#CC[N@H+](C)CCC[NH2+][C@H]1CCCc2occc21 ZINC000328060560 411244557 /nfs/dbraw/zinc/24/45/57/411244557.db2.gz BGJXEOKOOKJJPL-AWEZNQCLSA-N 2 2 246.354 2.202 20 30 BEEDLP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCCc2occc21 ZINC000328060560 411244562 /nfs/dbraw/zinc/24/45/62/411244562.db2.gz BGJXEOKOOKJJPL-AWEZNQCLSA-N 2 2 246.354 2.202 20 30 BEEDLP C=CCC1([NH2+]CCn2cc[nH+]c2)CCCC1 ZINC000661851900 411319166 /nfs/dbraw/zinc/31/91/66/411319166.db2.gz HWLYIJDYQDIUIJ-UHFFFAOYSA-N 2 2 219.332 2.362 20 30 BEEDLP C=CCC[NH2+]Cc1c[nH+]c2ccc(C)cn12 ZINC000657583097 411554605 /nfs/dbraw/zinc/55/46/05/411554605.db2.gz ZIGUWOSHSIDDMR-UHFFFAOYSA-N 2 2 215.300 2.308 20 30 BEEDLP C=CC[C@H]1CCC[N@@H+](CCn2cc[nH+]c2C)C1 ZINC000661380424 411763010 /nfs/dbraw/zinc/76/30/10/411763010.db2.gz GYTFZNGHMCDOQT-AWEZNQCLSA-N 2 2 233.359 2.480 20 30 BEEDLP C=CC[C@H]1CCC[N@H+](CCn2cc[nH+]c2C)C1 ZINC000661380424 411763014 /nfs/dbraw/zinc/76/30/14/411763014.db2.gz GYTFZNGHMCDOQT-AWEZNQCLSA-N 2 2 233.359 2.480 20 30 BEEDLP C=CCCC[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000563968941 323335054 /nfs/dbraw/zinc/33/50/54/323335054.db2.gz HVCARDXWOCKJDM-GFCCVEGCSA-N 2 2 219.332 2.176 20 30 BEEDLP C=CCCC[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000563968941 323335057 /nfs/dbraw/zinc/33/50/57/323335057.db2.gz HVCARDXWOCKJDM-GFCCVEGCSA-N 2 2 219.332 2.176 20 30 BEEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC000667837048 488136014 /nfs/dbraw/zinc/13/60/14/488136014.db2.gz GMUOBYPZCUVQOG-VHDGCEQUSA-N 2 2 234.387 2.415 20 30 BEEDLP C=CCC[C@@H]([NH2+]C[C@H](C)[NH+](C)C)C1CC1 ZINC000125320662 534798214 /nfs/dbraw/zinc/79/82/14/534798214.db2.gz NKVIEMSTHUGOFH-WCQYABFASA-N 2 2 210.365 2.271 20 30 BEEDLP CC(C)(CCC#N)C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000494424819 527001522 /nfs/dbraw/zinc/00/15/22/527001522.db2.gz JIAUTIQIROAIDQ-LBPRGKRZSA-N 2 2 246.358 2.117 20 30 BEEDLP C#C[C@H](CC)[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000310034681 527361739 /nfs/dbraw/zinc/36/17/39/527361739.db2.gz SNLQJPALUOAIRN-CQSZACIVSA-N 2 2 216.328 2.324 20 30 BEEDLP CC[NH+](CC)CCC[NH+]1CCC(C)(C#N)CC1 ZINC000338290289 535509538 /nfs/dbraw/zinc/50/95/38/535509538.db2.gz QMQWNUUFLJIXTG-UHFFFAOYSA-N 2 2 237.391 2.344 20 30 BEEDLP CC[NH+](CC)CCC[NH+]1CCC(F)(C#N)CC1 ZINC000352449422 535509740 /nfs/dbraw/zinc/50/97/40/535509740.db2.gz MRSSNNXMPRSVAK-UHFFFAOYSA-N 2 2 241.354 2.046 20 30 BEEDLP C=CC(C)(C)CCC[NH2+]Cc1c[nH+]c[nH]1 ZINC000895474169 583679875 /nfs/dbraw/zinc/67/98/75/583679875.db2.gz MWUTUORUNQSVMJ-UHFFFAOYSA-N 2 2 207.321 2.492 20 30 BEEDLP CC#CC[N@H+](C)CCCc1c[nH+]ccc1C ZINC000897167683 583887237 /nfs/dbraw/zinc/88/72/37/583887237.db2.gz OYQISTBCGMUKOZ-UHFFFAOYSA-N 2 2 216.328 2.278 20 30 BEEDLP CC#CC[N@@H+](C)CCCc1c[nH+]ccc1C ZINC000897167683 583887240 /nfs/dbraw/zinc/88/72/40/583887240.db2.gz OYQISTBCGMUKOZ-UHFFFAOYSA-N 2 2 216.328 2.278 20 30 BEEDLP CC1(C)CC[N@H+](CC[NH2+][C@@H]2CCC[C@H](C#N)C2)C1 ZINC000898035553 584079174 /nfs/dbraw/zinc/07/91/74/584079174.db2.gz UXOUCSYCFSEAQC-UONOGXRCSA-N 2 2 249.402 2.390 20 30 BEEDLP CC1(C)CC[N@@H+](CC[NH2+][C@@H]2CCC[C@H](C#N)C2)C1 ZINC000898035553 584079175 /nfs/dbraw/zinc/07/91/75/584079175.db2.gz UXOUCSYCFSEAQC-UONOGXRCSA-N 2 2 249.402 2.390 20 30 BEEDLP C[N@@H+]1CC[C@H]([NH2+]CC2(C#N)CCC2)[C@H]2CCC[C@H]21 ZINC000903035668 584718910 /nfs/dbraw/zinc/71/89/10/584718910.db2.gz SHJLDOUYLTWMIZ-HZSPNIEDSA-N 2 2 247.386 2.143 20 30 BEEDLP C[N@H+]1CC[C@H]([NH2+]CC2(C#N)CCC2)[C@H]2CCC[C@H]21 ZINC000903035668 584718911 /nfs/dbraw/zinc/71/89/11/584718911.db2.gz SHJLDOUYLTWMIZ-HZSPNIEDSA-N 2 2 247.386 2.143 20 30 BEEDLP C=CCCC[N@H+]1CCC[C@H]2CC[C@]21C[NH3+] ZINC000903800115 584801301 /nfs/dbraw/zinc/80/13/01/584801301.db2.gz UJCXPYFWUOEZOJ-STQMWFEESA-N 2 2 208.349 2.156 20 30 BEEDLP C=CCCC[N@@H+]1CCC[C@H]2CC[C@]21C[NH3+] ZINC000903800115 584801303 /nfs/dbraw/zinc/80/13/03/584801303.db2.gz UJCXPYFWUOEZOJ-STQMWFEESA-N 2 2 208.349 2.156 20 30 BEEDLP N#CC1(C[NH2+]C[C@@H]([NH3+])CC(F)F)CCCCC1 ZINC000903932775 584824735 /nfs/dbraw/zinc/82/47/35/584824735.db2.gz GULSPWCZGKFWSC-JTQLQIEISA-N 2 2 245.317 2.033 20 30 BEEDLP CN(C)c1cc[nH+]cc1C=[NH+]OC/C=C\Cl ZINC000811667710 586565008 /nfs/dbraw/zinc/56/50/08/586565008.db2.gz BLHDJOYOJLZXDT-GSUJTSEKSA-N 2 2 239.706 2.251 20 30 BEEDLP CN(C)c1cc[nH+]cc1C=[NH+]OC1CCC1 ZINC000812235354 586571510 /nfs/dbraw/zinc/57/15/10/586571510.db2.gz SYTDMHBUDIRMLX-UHFFFAOYSA-N 2 2 219.288 2.051 20 30 BEEDLP C#CC[N@H+](Cc1c[nH+]c2n1CCC2)C1CCCC1 ZINC000824900390 587292344 /nfs/dbraw/zinc/29/23/44/587292344.db2.gz ALPWPRQSCAALOL-UHFFFAOYSA-N 2 2 243.354 2.207 20 30 BEEDLP C#CC[N@@H+](Cc1c[nH+]c2n1CCC2)C1CCCC1 ZINC000824900390 587292345 /nfs/dbraw/zinc/29/23/45/587292345.db2.gz ALPWPRQSCAALOL-UHFFFAOYSA-N 2 2 243.354 2.207 20 30 BEEDLP CC[N@@H+]1CC[C@H]([NH2+]CC2(C#N)CCC2)[C@H](C)C1 ZINC000841898940 587983015 /nfs/dbraw/zinc/98/30/15/587983015.db2.gz QRORIJFJLZKRGU-OLZOCXBDSA-N 2 2 235.375 2.000 20 30 BEEDLP CC[N@H+]1CC[C@H]([NH2+]CC2(C#N)CCC2)[C@H](C)C1 ZINC000841898940 587983016 /nfs/dbraw/zinc/98/30/16/587983016.db2.gz QRORIJFJLZKRGU-OLZOCXBDSA-N 2 2 235.375 2.000 20 30 BEEDLP C=CC[C@@H]1CC[C@@H]([NH2+][C@@H]2CC[N@@H+](C)C2)C1 ZINC000845934502 588250882 /nfs/dbraw/zinc/25/08/82/588250882.db2.gz BVNGPZWKSGJENF-JHJVBQTASA-N 2 2 208.349 2.025 20 30 BEEDLP C=CC[C@@H]1CC[C@@H]([NH2+][C@@H]2CC[N@H+](C)C2)C1 ZINC000845934502 588250883 /nfs/dbraw/zinc/25/08/83/588250883.db2.gz BVNGPZWKSGJENF-JHJVBQTASA-N 2 2 208.349 2.025 20 30 BEEDLP C=C(Cl)C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000852108891 588664272 /nfs/dbraw/zinc/66/42/72/588664272.db2.gz PEJBSRWSIUYKDR-GFCCVEGCSA-N 2 2 228.767 2.157 20 30 BEEDLP C=C(Cl)C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000852108891 588664273 /nfs/dbraw/zinc/66/42/73/588664273.db2.gz PEJBSRWSIUYKDR-GFCCVEGCSA-N 2 2 228.767 2.157 20 30 BEEDLP C=C(Cl)C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000852108891 588664274 /nfs/dbraw/zinc/66/42/74/588664274.db2.gz PEJBSRWSIUYKDR-GFCCVEGCSA-N 2 2 228.767 2.157 20 30 BEEDLP C=C(Cl)C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000852108891 588664275 /nfs/dbraw/zinc/66/42/75/588664275.db2.gz PEJBSRWSIUYKDR-GFCCVEGCSA-N 2 2 228.767 2.157 20 30 BEEDLP C[C@H](CCC#N)C[NH2+]CC[N@@H+]1CCC[C@H]1C ZINC000877154742 590293104 /nfs/dbraw/zinc/29/31/04/590293104.db2.gz YQEKFYMCZQCQPF-CHWSQXEVSA-N 2 2 223.364 2.000 20 30 BEEDLP C[C@H](CCC#N)C[NH2+]CC[N@H+]1CCC[C@H]1C ZINC000877154742 590293106 /nfs/dbraw/zinc/29/31/06/590293106.db2.gz YQEKFYMCZQCQPF-CHWSQXEVSA-N 2 2 223.364 2.000 20 30 BEEDLP C#CCCCCCC[NH2+]CC[N@H+]1CC=CCC1 ZINC000877491923 590340364 /nfs/dbraw/zinc/34/03/64/590340364.db2.gz YPKFHGHSUPCLDS-UHFFFAOYSA-N 2 2 234.387 2.422 20 30 BEEDLP C#CCCCCCC[NH2+]CC[N@@H+]1CC=CCC1 ZINC000877491923 590340367 /nfs/dbraw/zinc/34/03/67/590340367.db2.gz YPKFHGHSUPCLDS-UHFFFAOYSA-N 2 2 234.387 2.422 20 30 BEEDLP C#C[C@H](C)[N@H+](C)Cc1c(C)cc(C)[nH+]c1C ZINC000878517409 590585879 /nfs/dbraw/zinc/58/58/79/590585879.db2.gz RNRBYLTWYJLONM-LBPRGKRZSA-N 2 2 216.328 2.460 20 30 BEEDLP C#C[C@H](C)[N@@H+](C)Cc1c(C)cc(C)[nH+]c1C ZINC000878517409 590585880 /nfs/dbraw/zinc/58/58/80/590585880.db2.gz RNRBYLTWYJLONM-LBPRGKRZSA-N 2 2 216.328 2.460 20 30 BEEDLP C=C(CC)C[N@@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC000880136436 590936973 /nfs/dbraw/zinc/93/69/73/590936973.db2.gz LVOUMQPOHMOFCD-CHWSQXEVSA-N 2 2 208.349 2.121 20 30 BEEDLP C=C(CC)C[N@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC000880136436 590936977 /nfs/dbraw/zinc/93/69/77/590936977.db2.gz LVOUMQPOHMOFCD-CHWSQXEVSA-N 2 2 208.349 2.121 20 30 BEEDLP C=C(CC)C[NH+]1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000880136436 590936980 /nfs/dbraw/zinc/93/69/80/590936980.db2.gz LVOUMQPOHMOFCD-CHWSQXEVSA-N 2 2 208.349 2.121 20 30 BEEDLP C=C(CC)C[NH+]1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000880136436 590936983 /nfs/dbraw/zinc/93/69/83/590936983.db2.gz LVOUMQPOHMOFCD-CHWSQXEVSA-N 2 2 208.349 2.121 20 30 BEEDLP CC1([NH+]2CCC2)CC[NH+](CC2(CC#N)CC2)CC1 ZINC000880475526 591054301 /nfs/dbraw/zinc/05/43/01/591054301.db2.gz VMKKBNPSGLYVPL-UHFFFAOYSA-N 2 2 247.386 2.240 20 30 BEEDLP C#CCC[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880568786 591098799 /nfs/dbraw/zinc/09/87/99/591098799.db2.gz CQUFLRFTCSLDJL-HNNXBMFYSA-N 2 2 239.322 2.237 20 30 BEEDLP C=C(Cl)C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000131859326 591670636 /nfs/dbraw/zinc/67/06/36/591670636.db2.gz KSNDWVDQXYZJFO-GFCCVEGCSA-N 2 2 238.718 2.287 20 30 BEEDLP C=C(Cl)C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000131859326 591670638 /nfs/dbraw/zinc/67/06/38/591670638.db2.gz KSNDWVDQXYZJFO-GFCCVEGCSA-N 2 2 238.718 2.287 20 30 BEEDLP C=C(Cl)C[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886874036 592377078 /nfs/dbraw/zinc/37/70/78/592377078.db2.gz FBISRNDBYWAHJJ-GFCCVEGCSA-N 2 2 228.767 2.205 20 30 BEEDLP C=C(Cl)C[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886874036 592377083 /nfs/dbraw/zinc/37/70/83/592377083.db2.gz FBISRNDBYWAHJJ-GFCCVEGCSA-N 2 2 228.767 2.205 20 30 BEEDLP C=CCOCCC[NH2+][C@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925709791 634408186 /nfs/dbraw/zinc/40/81/86/634408186.db2.gz OLOSYSWFVNNYIY-HIFRSBDPSA-N 2 2 248.370 2.257 20 30 BEEDLP C=CCC[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000926684655 632819114 /nfs/dbraw/zinc/81/91/14/632819114.db2.gz HVSWOFOFPNHAHH-QWHCGFSZSA-N 2 2 208.349 2.169 20 30 BEEDLP C=CCC[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000926684655 632819116 /nfs/dbraw/zinc/81/91/16/632819116.db2.gz HVSWOFOFPNHAHH-QWHCGFSZSA-N 2 2 208.349 2.169 20 30 BEEDLP CC[C@@H]([NH2+][C@@H]1C[NH2+]C[C@H]1C)c1ccc(C#N)cc1 ZINC000925782138 635277781 /nfs/dbraw/zinc/27/77/81/635277781.db2.gz DEJBHICUZBDOJU-KCPJHIHWSA-N 2 2 243.354 2.207 20 30 BEEDLP Cc1ccc(C[NH2+][C@@H]2CCC[NH2+][C@H]2C)cc1C#N ZINC000925838332 635498762 /nfs/dbraw/zinc/49/87/62/635498762.db2.gz LRAJHXWITZIADL-SWLSCSKDSA-N 2 2 243.354 2.097 20 30 BEEDLP C[C@@H](CC(C)(C)C#N)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000925197008 636376071 /nfs/dbraw/zinc/37/60/71/636376071.db2.gz JTRJSANGLTXVQD-OLZOCXBDSA-N 2 2 237.391 2.246 20 30 BEEDLP C[C@@H](CC(C)(C)C#N)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000925197008 636376076 /nfs/dbraw/zinc/37/60/76/636376076.db2.gz JTRJSANGLTXVQD-OLZOCXBDSA-N 2 2 237.391 2.246 20 30 BEEDLP Cc1cc(C#N)cc(C)c1C[N@@H+](C)CC(C)(C)[NH3+] ZINC000903463961 637365174 /nfs/dbraw/zinc/36/51/74/637365174.db2.gz ULDXGYPNUNZQGQ-UHFFFAOYSA-N 2 2 245.370 2.344 20 30 BEEDLP Cc1cc(C#N)cc(C)c1C[N@H+](C)CC(C)(C)[NH3+] ZINC000903463961 637365180 /nfs/dbraw/zinc/36/51/80/637365180.db2.gz ULDXGYPNUNZQGQ-UHFFFAOYSA-N 2 2 245.370 2.344 20 30 BEEDLP C[C@@H](CC[NH+](C)C)[NH2+]Cc1csc(C#N)c1 ZINC000921618685 643623930 /nfs/dbraw/zinc/62/39/30/643623930.db2.gz KGBXVEPIZJBCID-JTQLQIEISA-N 2 2 237.372 2.050 20 30 BEEDLP C[C@H]1C[C@H]([NH2+]Cc2csc(C#N)c2)CC[N@@H+]1C ZINC000921778867 643783129 /nfs/dbraw/zinc/78/31/29/643783129.db2.gz AUSBFDSJFGMAAE-CMPLNLGQSA-N 2 2 249.383 2.192 20 30 BEEDLP C[C@H]1C[C@H]([NH2+]Cc2csc(C#N)c2)CC[N@H+]1C ZINC000921778867 643783130 /nfs/dbraw/zinc/78/31/30/643783130.db2.gz AUSBFDSJFGMAAE-CMPLNLGQSA-N 2 2 249.383 2.192 20 30 BEEDLP C=CCCCCC[C@H](C)[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000817984178 644995573 /nfs/dbraw/zinc/99/55/73/644995573.db2.gz VTLHVIDRXXSGSW-KBPBESRZSA-N 2 2 240.391 2.089 20 30 BEEDLP C=C(Cl)C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000852749329 645487190 /nfs/dbraw/zinc/48/71/90/645487190.db2.gz KOKHFCOKECRXMR-VXGBXAGGSA-N 2 2 228.767 2.203 20 30 BEEDLP C=C(Cl)C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000852749329 645487194 /nfs/dbraw/zinc/48/71/94/645487194.db2.gz KOKHFCOKECRXMR-VXGBXAGGSA-N 2 2 228.767 2.203 20 30 BEEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)C2(Cl)CC2)CC1 ZINC000924984933 646148756 /nfs/dbraw/zinc/14/87/56/646148756.db2.gz YSSVXJIWZITTSN-NSHDSACASA-N 2 2 242.794 2.386 20 30 BEEDLP C=C[C@H](C)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000925258256 646223153 /nfs/dbraw/zinc/22/31/53/646223153.db2.gz UBKSCMBKXDBIQA-AVGNSLFASA-N 2 2 208.349 2.167 20 30 BEEDLP C=C[C@H](C)[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000925258256 646223157 /nfs/dbraw/zinc/22/31/57/646223157.db2.gz UBKSCMBKXDBIQA-AVGNSLFASA-N 2 2 208.349 2.167 20 30 BEEDLP C=CCCOCC[NH2+][C@@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925625175 646371361 /nfs/dbraw/zinc/37/13/61/646371361.db2.gz GKCXMMCYLRBGPI-DZGCQCFKSA-N 2 2 248.370 2.257 20 30 BEEDLP C=CCCCCCCC[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000925669590 646400332 /nfs/dbraw/zinc/40/03/32/646400332.db2.gz VXHZGUIIHAULDN-CQSZACIVSA-N 2 2 240.391 2.091 20 30 BEEDLP N#CCC1(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000926344241 646622434 /nfs/dbraw/zinc/62/24/34/646622434.db2.gz JPBAUFFDTUNFBY-UONOGXRCSA-N 2 2 247.386 2.287 20 30 BEEDLP N#CCC1(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000926344241 646622437 /nfs/dbraw/zinc/62/24/37/646622437.db2.gz JPBAUFFDTUNFBY-UONOGXRCSA-N 2 2 247.386 2.287 20 30 BEEDLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)CC(C)(C)C#N ZINC000709992454 712237955 /nfs/dbraw/zinc/23/79/55/712237955.db2.gz WNXIZVYWGMOMLM-RYUDHWBXSA-N 2 2 234.347 2.190 20 30 BEEDLP CCCCCCC[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000703748983 712084821 /nfs/dbraw/zinc/08/48/21/712084821.db2.gz UBFHLLXEVKLZPH-KBPBESRZSA-N 2 2 242.407 2.313 20 30 BEEDLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)CC(C)(C)C#N)C1 ZINC000709978616 712236492 /nfs/dbraw/zinc/23/64/92/712236492.db2.gz WVKNTGSKJKTNRR-QWHCGFSZSA-N 2 2 237.391 2.389 20 30 BEEDLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)CC(C)(C)C#N)C1 ZINC000709978616 712236494 /nfs/dbraw/zinc/23/64/94/712236494.db2.gz WVKNTGSKJKTNRR-QWHCGFSZSA-N 2 2 237.391 2.389 20 30 BEEDLP CC(C)[N@@H+](C)CC[NH2+][C@@H](C)CC(C)(C)C#N ZINC000709998296 712238877 /nfs/dbraw/zinc/23/88/77/712238877.db2.gz RDSALFICLKXCCI-LBPRGKRZSA-N 2 2 225.380 2.245 20 30 BEEDLP CC(C)[N@H+](C)CC[NH2+][C@@H](C)CC(C)(C)C#N ZINC000709998296 712238878 /nfs/dbraw/zinc/23/88/78/712238878.db2.gz RDSALFICLKXCCI-LBPRGKRZSA-N 2 2 225.380 2.245 20 30 BEEDLP C=CC[C@H](C)[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000717157631 712638055 /nfs/dbraw/zinc/63/80/55/712638055.db2.gz BYLVBPQLCYBPFS-AEJSXWLSSA-N 2 2 236.281 2.163 20 30 BEEDLP C=CC[C@H](C)[N@H+]1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000717157631 712638056 /nfs/dbraw/zinc/63/80/56/712638056.db2.gz BYLVBPQLCYBPFS-AEJSXWLSSA-N 2 2 236.281 2.163 20 30 BEEDLP C[N@@H+]1CCC[C@H]2[C@H]1CC[NH+]2CCCC(C)(C)C#N ZINC000720361727 712835338 /nfs/dbraw/zinc/83/53/38/712835338.db2.gz COIYPLSZTQXWSU-KGLIPLIRSA-N 2 2 249.402 2.485 20 30 BEEDLP C[N@H+]1CCC[C@H]2[C@H]1CC[NH+]2CCCC(C)(C)C#N ZINC000720361727 712835339 /nfs/dbraw/zinc/83/53/39/712835339.db2.gz COIYPLSZTQXWSU-KGLIPLIRSA-N 2 2 249.402 2.485 20 30 BEEDLP C[NH+]1CCC[C@H]2[C@H]1CC[N@@H+]2CCCC(C)(C)C#N ZINC000720361727 712835341 /nfs/dbraw/zinc/83/53/41/712835341.db2.gz COIYPLSZTQXWSU-KGLIPLIRSA-N 2 2 249.402 2.485 20 30 BEEDLP C[NH+]1CCC[C@H]2[C@H]1CC[N@H+]2CCCC(C)(C)C#N ZINC000720361727 712835342 /nfs/dbraw/zinc/83/53/42/712835342.db2.gz COIYPLSZTQXWSU-KGLIPLIRSA-N 2 2 249.402 2.485 20 30 BEEDLP C=CC[NH+]1CCN(c2ccc(C)c(C)[nH+]2)CC1 ZINC001165031811 721866134 /nfs/dbraw/zinc/86/61/34/721866134.db2.gz WRXZJLFPYLGJKQ-UHFFFAOYSA-N 2 2 231.343 2.006 20 30 BEEDLP C=CCCC[N@@H+](CC)C1CC[NH+](C)CC1 ZINC001209161584 969361521 /nfs/dbraw/zinc/36/15/21/969361521.db2.gz MYTHRMRNSOLPIZ-UHFFFAOYSA-N 2 2 210.365 2.369 20 30 BEEDLP C=CCCC[N@H+](CC)C1CC[NH+](C)CC1 ZINC001209161584 969361529 /nfs/dbraw/zinc/36/15/29/969361529.db2.gz MYTHRMRNSOLPIZ-UHFFFAOYSA-N 2 2 210.365 2.369 20 30 BEEDLP CC[C@H](CC#N)[NH2+][C@@H]1CC[N@@H+](C(C)C)C[C@H]1C ZINC001255165567 969978289 /nfs/dbraw/zinc/97/82/89/969978289.db2.gz YMMCBULIWVLAQI-MGPQQGTHSA-N 2 2 237.391 2.387 20 30 BEEDLP CC[C@H](CC#N)[NH2+][C@@H]1CC[N@H+](C(C)C)C[C@H]1C ZINC001255165567 969978292 /nfs/dbraw/zinc/97/82/92/969978292.db2.gz YMMCBULIWVLAQI-MGPQQGTHSA-N 2 2 237.391 2.387 20 30 BEEDLP CC[NH+](CC)C1CCC([N@H+](C)[C@H](C)C#N)CC1 ZINC001173114200 975026899 /nfs/dbraw/zinc/02/68/99/975026899.db2.gz ZWYLEQHEKVDMGG-IYXRBSQSSA-N 2 2 237.391 2.483 20 30 BEEDLP CC[NH+](CC)C1CCC([N@@H+](C)[C@H](C)C#N)CC1 ZINC001173114200 975026905 /nfs/dbraw/zinc/02/69/05/975026905.db2.gz ZWYLEQHEKVDMGG-IYXRBSQSSA-N 2 2 237.391 2.483 20 30 BEEDLP C#CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000307740098 1167159522 /nfs/dbraw/zinc/15/95/22/1167159522.db2.gz MQJBEZAJDBHIRA-GOEBONIOSA-N 2 2 242.366 2.262 20 30 BEEDLP C#CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000307740098 1167159527 /nfs/dbraw/zinc/15/95/27/1167159527.db2.gz MQJBEZAJDBHIRA-GOEBONIOSA-N 2 2 242.366 2.262 20 30 BEEDLP CCCCCCCC[N@H+]1C[C@@H](OC)[C@@H]([NH3+])C1 ZINC001237102359 979819445 /nfs/dbraw/zinc/81/94/45/979819445.db2.gz ZWRQXQBQAYEULN-QWHCGFSZSA-N 2 2 228.380 2.005 20 30 BEEDLP CCCCCCCC[N@@H+]1C[C@@H](OC)[C@@H]([NH3+])C1 ZINC001237102359 979819447 /nfs/dbraw/zinc/81/94/47/979819447.db2.gz ZWRQXQBQAYEULN-QWHCGFSZSA-N 2 2 228.380 2.005 20 30 BEEDLP C[N@@H+]1CCC[C@@H]2C[NH+](C3CCC(C#N)CC3)C[C@@H]21 ZINC001256971651 971051157 /nfs/dbraw/zinc/05/11/57/971051157.db2.gz KZYPBOYSTUOYBV-JYVUQVBGSA-N 2 2 247.386 2.095 20 30 BEEDLP C[N@H+]1CCC[C@@H]2C[NH+](C3CCC(C#N)CC3)C[C@@H]21 ZINC001256971651 971051165 /nfs/dbraw/zinc/05/11/65/971051165.db2.gz KZYPBOYSTUOYBV-JYVUQVBGSA-N 2 2 247.386 2.095 20 30 BEEDLP C[NH+]1CCC[C@@H]2C[N@@H+](C3CCC(C#N)CC3)C[C@@H]21 ZINC001256971651 971051171 /nfs/dbraw/zinc/05/11/71/971051171.db2.gz KZYPBOYSTUOYBV-JYVUQVBGSA-N 2 2 247.386 2.095 20 30 BEEDLP C[NH+]1CCC[C@@H]2C[N@H+](C3CCC(C#N)CC3)C[C@@H]21 ZINC001256971651 971051177 /nfs/dbraw/zinc/05/11/77/971051177.db2.gz KZYPBOYSTUOYBV-JYVUQVBGSA-N 2 2 247.386 2.095 20 30 BEEDLP C#C[C@@H]1CCC[N@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140804806 960598939 /nfs/dbraw/zinc/59/89/39/960598939.db2.gz GBMQPSYMYVLKQT-GFCCVEGCSA-N 2 2 239.322 2.408 20 30 BEEDLP C#C[C@@H]1CCC[N@@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140804806 960598950 /nfs/dbraw/zinc/59/89/50/960598950.db2.gz GBMQPSYMYVLKQT-GFCCVEGCSA-N 2 2 239.322 2.408 20 30 BEEDLP C[C@@H]([NH3+])[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccccc1 ZINC000925702889 960701127 /nfs/dbraw/zinc/70/11/27/960701127.db2.gz FTIYCVMCSSRVHH-AYRXBEOTSA-N 2 2 243.354 2.357 20 30 BEEDLP C[NH+](C)CC(C)(C)CNc1[nH+]cccc1CC#N ZINC001168762360 968016608 /nfs/dbraw/zinc/01/66/08/968016608.db2.gz HZCGVEMGAFMQRH-UHFFFAOYSA-N 2 2 246.358 2.147 20 30 BEEDLP N#C[C@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](CC3CCC3)C2)C1 ZINC001254650600 969763766 /nfs/dbraw/zinc/76/37/66/969763766.db2.gz WAGALAZTNNPXJJ-KKUMJFAQSA-N 2 2 247.386 2.143 20 30 BEEDLP N#C[C@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](CC3CCC3)C2)C1 ZINC001254650600 969763772 /nfs/dbraw/zinc/76/37/72/969763772.db2.gz WAGALAZTNNPXJJ-KKUMJFAQSA-N 2 2 247.386 2.143 20 30 BEEDLP CC[C@H](CC#N)[NH2+][C@@H]1CC[N@@H+](C(C)C)C[C@@H]1C ZINC001255165560 969977837 /nfs/dbraw/zinc/97/78/37/969977837.db2.gz YMMCBULIWVLAQI-BFHYXJOUSA-N 2 2 237.391 2.387 20 30 BEEDLP CC[C@H](CC#N)[NH2+][C@@H]1CC[N@H+](C(C)C)C[C@@H]1C ZINC001255165560 969977841 /nfs/dbraw/zinc/97/78/41/969977841.db2.gz YMMCBULIWVLAQI-BFHYXJOUSA-N 2 2 237.391 2.387 20 30 BEEDLP N#CC[C@@H]1CCC[N@@H+](C2CC[NH+](C3CC3)CC2)C1 ZINC001256079575 970645872 /nfs/dbraw/zinc/64/58/72/970645872.db2.gz MJTZSHKUZHXLFN-ZDUSSCGKSA-N 2 2 247.386 2.239 20 30 BEEDLP N#CC[C@@H]1CCC[N@H+](C2CC[NH+](C3CC3)CC2)C1 ZINC001256079575 970645880 /nfs/dbraw/zinc/64/58/80/970645880.db2.gz MJTZSHKUZHXLFN-ZDUSSCGKSA-N 2 2 247.386 2.239 20 30 BEEDLP C[NH+]1C(C)(C)CC([N@@H+]2CC[C@@H](C#N)C2)CC1(C)C ZINC001171639748 974137277 /nfs/dbraw/zinc/13/72/77/974137277.db2.gz ROKCDIRCAFHGPK-LBPRGKRZSA-N 2 2 249.402 2.483 20 30 BEEDLP C[NH+]1C(C)(C)CC([N@H+]2CC[C@@H](C#N)C2)CC1(C)C ZINC001171639748 974137286 /nfs/dbraw/zinc/13/72/86/974137286.db2.gz ROKCDIRCAFHGPK-LBPRGKRZSA-N 2 2 249.402 2.483 20 30 BEEDLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC[C@@](C)(C#N)C1)C2 ZINC001172130397 974355407 /nfs/dbraw/zinc/35/54/07/974355407.db2.gz OQRHJHLIKYETJN-XGUBFFRZSA-N 2 2 247.386 2.237 20 30 BEEDLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC[C@@](C)(C#N)C1)C2 ZINC001172130397 974355418 /nfs/dbraw/zinc/35/54/18/974355418.db2.gz OQRHJHLIKYETJN-XGUBFFRZSA-N 2 2 247.386 2.237 20 30 BEEDLP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CC[C@@](C)(C#N)C1)C2 ZINC001172130397 974355426 /nfs/dbraw/zinc/35/54/26/974355426.db2.gz OQRHJHLIKYETJN-XGUBFFRZSA-N 2 2 247.386 2.237 20 30 BEEDLP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CC[C@@](C)(C#N)C1)C2 ZINC001172130397 974355435 /nfs/dbraw/zinc/35/54/35/974355435.db2.gz OQRHJHLIKYETJN-XGUBFFRZSA-N 2 2 247.386 2.237 20 30 BEEDLP Cc1[nH+]cc2n1CC[N@@H+]([C@@H](C)CCCC#N)C2 ZINC001172496560 974848377 /nfs/dbraw/zinc/84/83/77/974848377.db2.gz NWLFQAPTKKJTGS-NSHDSACASA-N 2 2 232.331 2.090 20 30 BEEDLP Cc1[nH+]cc2n1CC[N@H+]([C@@H](C)CCCC#N)C2 ZINC001172496560 974848380 /nfs/dbraw/zinc/84/83/80/974848380.db2.gz NWLFQAPTKKJTGS-NSHDSACASA-N 2 2 232.331 2.090 20 30 BEEDLP N#Cc1cc(C[NH2+]CCC[NH+]2CCCC2)cs1 ZINC001336659244 977837237 /nfs/dbraw/zinc/83/72/37/977837237.db2.gz RTBXVNIVLYEILL-UHFFFAOYSA-N 2 2 249.383 2.195 20 30 BEEDLP C=CC[NH2+]CC[N@@H+]1CC[C@H](Cc2ccccc2)C1 ZINC001235715851 979134029 /nfs/dbraw/zinc/13/40/29/979134029.db2.gz VBHXETOXLXKPKU-MRXNPFEDSA-N 2 2 244.382 2.327 20 30 BEEDLP C=CC[NH2+]CC[N@H+]1CC[C@H](Cc2ccccc2)C1 ZINC001235715851 979134034 /nfs/dbraw/zinc/13/40/34/979134034.db2.gz VBHXETOXLXKPKU-MRXNPFEDSA-N 2 2 244.382 2.327 20 30 BEEDLP C=CC[NH2+]CC[N@@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC001235715850 979137089 /nfs/dbraw/zinc/13/70/89/979137089.db2.gz VBHXETOXLXKPKU-INIZCTEOSA-N 2 2 244.382 2.327 20 30 BEEDLP C=CC[NH2+]CC[N@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC001235715850 979137093 /nfs/dbraw/zinc/13/70/93/979137093.db2.gz VBHXETOXLXKPKU-INIZCTEOSA-N 2 2 244.382 2.327 20 30 BEEDLP C#Cc1ccc(C[N@@H+](CC)[C@@H]2CCC[NH2+]C2)cc1 ZINC001236005204 979293861 /nfs/dbraw/zinc/29/38/61/979293861.db2.gz BSNPJMCUCFAUFY-MRXNPFEDSA-N 2 2 242.366 2.242 20 30 BEEDLP C#Cc1ccc(C[N@H+](CC)[C@@H]2CCC[NH2+]C2)cc1 ZINC001236005204 979293874 /nfs/dbraw/zinc/29/38/74/979293874.db2.gz BSNPJMCUCFAUFY-MRXNPFEDSA-N 2 2 242.366 2.242 20 30 BEEDLP C#Cc1cccc(C[N@@H+](CCC)[C@H]2CC[NH2+]C2)c1 ZINC001236322888 979535818 /nfs/dbraw/zinc/53/58/18/979535818.db2.gz APOHXRACAVADEG-INIZCTEOSA-N 2 2 242.366 2.242 20 30 BEEDLP C#Cc1cccc(C[N@H+](CCC)[C@H]2CC[NH2+]C2)c1 ZINC001236322888 979535822 /nfs/dbraw/zinc/53/58/22/979535822.db2.gz APOHXRACAVADEG-INIZCTEOSA-N 2 2 242.366 2.242 20 30 BEEDLP CCCCCCC[N@H+](CCOC)[C@@H]1CC[NH2+]C1 ZINC001236334405 979537898 /nfs/dbraw/zinc/53/78/98/979537898.db2.gz PEALJNGHJVIBHW-CQSZACIVSA-N 2 2 242.407 2.267 20 30 BEEDLP CCCCCCC[N@@H+](CCOC)[C@@H]1CC[NH2+]C1 ZINC001236334405 979537908 /nfs/dbraw/zinc/53/79/08/979537908.db2.gz PEALJNGHJVIBHW-CQSZACIVSA-N 2 2 242.407 2.267 20 30 BEEDLP C=CC[N@@H+](CC[NH2+]CC)C1CCCCC1 ZINC001236433196 979595448 /nfs/dbraw/zinc/59/54/48/979595448.db2.gz GTCIBPWTZFXZCW-UHFFFAOYSA-N 2 2 210.365 2.417 20 30 BEEDLP C=CC[N@H+](CC[NH2+]CC)C1CCCCC1 ZINC001236433196 979595453 /nfs/dbraw/zinc/59/54/53/979595453.db2.gz GTCIBPWTZFXZCW-UHFFFAOYSA-N 2 2 210.365 2.417 20 30 BEEDLP CCCCCCCCC[N@H+]1C[C@@H](OC)[C@@H]([NH3+])C1 ZINC001237102341 979818381 /nfs/dbraw/zinc/81/83/81/979818381.db2.gz ZISNTKNDDQHWPA-UONOGXRCSA-N 2 2 242.407 2.395 20 30 BEEDLP CCCCCCCCC[N@@H+]1C[C@@H](OC)[C@@H]([NH3+])C1 ZINC001237102341 979818396 /nfs/dbraw/zinc/81/83/96/979818396.db2.gz ZISNTKNDDQHWPA-UONOGXRCSA-N 2 2 242.407 2.395 20 30 BEEDLP CCCCCCC[C@H](C)[NH2+][C@@H]1COC[C@H]1[NH3+] ZINC001258038934 985310133 /nfs/dbraw/zinc/31/01/33/985310133.db2.gz HHRVLKZGIJSURJ-YNEHKIRRSA-N 2 2 228.380 2.051 20 30 BEEDLP CC(C)(C)C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC001254647274 986700681 /nfs/dbraw/zinc/70/06/81/986700681.db2.gz BSAWXQOXKXGCNZ-MJBXVCDLSA-N 2 2 249.402 2.389 20 30 BEEDLP CC(C)(C)C[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC001254647274 986700694 /nfs/dbraw/zinc/70/06/94/986700694.db2.gz BSAWXQOXKXGCNZ-MJBXVCDLSA-N 2 2 249.402 2.389 20 30 BEEDLP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1cc(C#N)co1 ZINC001255953449 987095962 /nfs/dbraw/zinc/09/59/62/987095962.db2.gz RIHVODXJURQOAW-GFCCVEGCSA-N 2 2 249.358 2.361 20 30 BEEDLP CCCCCCC[C@@H](CC)[NH2+][C@H]1C[NH2+]C[C@H]1O ZINC001246238207 987638421 /nfs/dbraw/zinc/63/84/21/987638421.db2.gz CYNSVVYRHZHPII-HZSPNIEDSA-N 2 2 242.407 2.048 20 30 BEEDLP CCCCCCC[C@H](CC)[N@H+]1C[C@@H](O)[C@@H]([NH3+])C1 ZINC001246847295 988565565 /nfs/dbraw/zinc/56/55/65/988565565.db2.gz SKLMTLCGGDMDHU-MELADBBJSA-N 2 2 242.407 2.129 20 30 BEEDLP CCCCCCC[C@H](CC)[N@@H+]1C[C@@H](O)[C@@H]([NH3+])C1 ZINC001246847295 988565576 /nfs/dbraw/zinc/56/55/76/988565576.db2.gz SKLMTLCGGDMDHU-MELADBBJSA-N 2 2 242.407 2.129 20 30 BEEDLP C=CCC[C@@H](C)[NH2+][C@]1(C)CCC[N@H+](C)C1 ZINC001258724220 991659332 /nfs/dbraw/zinc/65/93/32/991659332.db2.gz QMPZCWVVKHONBZ-CHWSQXEVSA-N 2 2 210.365 2.415 20 30 BEEDLP C=CCC[C@@H](C)[NH2+][C@]1(C)CCC[N@@H+](C)C1 ZINC001258724220 991659348 /nfs/dbraw/zinc/65/93/48/991659348.db2.gz QMPZCWVVKHONBZ-CHWSQXEVSA-N 2 2 210.365 2.415 20 30 BEEDLP C=CCC[C@@H](C)[NH2+][C@@]1(C)CCC[N@H+](C)C1 ZINC001258724221 991660563 /nfs/dbraw/zinc/66/05/63/991660563.db2.gz QMPZCWVVKHONBZ-OLZOCXBDSA-N 2 2 210.365 2.415 20 30 BEEDLP C=CCC[C@@H](C)[NH2+][C@@]1(C)CCC[N@@H+](C)C1 ZINC001258724221 991660568 /nfs/dbraw/zinc/66/05/68/991660568.db2.gz QMPZCWVVKHONBZ-OLZOCXBDSA-N 2 2 210.365 2.415 20 30 BEEDLP C=CCC[C@H](C)[N@@H+]1C[C@H]2CCC[NH+](C)[C@@H]2C1 ZINC001258733450 991679069 /nfs/dbraw/zinc/67/90/69/991679069.db2.gz GJNLCQDZNKHRRS-BFHYXJOUSA-N 2 2 222.376 2.367 20 30 BEEDLP C=CCC[C@H](C)[N@H+]1C[C@H]2CCC[NH+](C)[C@@H]2C1 ZINC001258733450 991679074 /nfs/dbraw/zinc/67/90/74/991679074.db2.gz GJNLCQDZNKHRRS-BFHYXJOUSA-N 2 2 222.376 2.367 20 30 BEEDLP C=CCC[C@H](C)[NH+]1C[C@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001258733450 991679081 /nfs/dbraw/zinc/67/90/81/991679081.db2.gz GJNLCQDZNKHRRS-BFHYXJOUSA-N 2 2 222.376 2.367 20 30 BEEDLP C=CCC[C@H](C)[NH+]1C[C@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001258733450 991679086 /nfs/dbraw/zinc/67/90/86/991679086.db2.gz GJNLCQDZNKHRRS-BFHYXJOUSA-N 2 2 222.376 2.367 20 30 BEEDLP C#CCCCCCC[N@H+]1CCC[C@H]([NH2+]C)C1 ZINC001574545130 992874482 /nfs/dbraw/zinc/87/44/82/992874482.db2.gz NNTKPJDRSSFCJT-AWEZNQCLSA-N 2 2 222.376 2.254 20 30 BEEDLP C#CCCCCCC[N@@H+]1CCC[C@H]([NH2+]C)C1 ZINC001574545130 992874485 /nfs/dbraw/zinc/87/44/85/992874485.db2.gz NNTKPJDRSSFCJT-AWEZNQCLSA-N 2 2 222.376 2.254 20 30 BEEDLP CC(C)[C@H](C[NH3+])C[N@H+](CCC#N)CC(C)(C)C ZINC001575423809 993040484 /nfs/dbraw/zinc/04/04/84/993040484.db2.gz YKYPFOXLJNKYSZ-CYBMUJFWSA-N 2 2 239.407 2.479 20 30 BEEDLP CC(C)[C@H](C[NH3+])C[N@@H+](CCC#N)CC(C)(C)C ZINC001575423809 993040493 /nfs/dbraw/zinc/04/04/93/993040493.db2.gz YKYPFOXLJNKYSZ-CYBMUJFWSA-N 2 2 239.407 2.479 20 30 BEEDLP C=CCOc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000422906921 398157337 /nfs/dbraw/zinc/15/73/37/398157337.db2.gz KNVYNTSMQXYTAQ-UONOGXRCSA-N 2 2 246.354 2.221 20 30 BEEDLP C=CC[NH+]1CCC([NH2+]C2CC(CC)C2)CC1 ZINC000310003986 136220182 /nfs/dbraw/zinc/22/01/82/136220182.db2.gz FVQOMFWNTVUMOJ-UHFFFAOYSA-N 2 2 222.376 2.415 20 30 BEEDLP C[C@H](CCC#N)C[NH2+][C@H](C)C[NH+]1CCCCC1 ZINC000602508635 349584337 /nfs/dbraw/zinc/58/43/37/349584337.db2.gz OJXXXLYOGUKCBN-ZIAGYGMSSA-N 2 2 237.391 2.390 20 30 BEEDLP C[C@@H](CCC#N)C[NH2+]CC[NH+]1CCCCCC1 ZINC000602512118 349585841 /nfs/dbraw/zinc/58/58/41/349585841.db2.gz PVEVXUSYNUAZTL-AWEZNQCLSA-N 2 2 237.391 2.392 20 30 BEEDLP N#C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000613254414 361859315 /nfs/dbraw/zinc/85/93/15/361859315.db2.gz JBUXVLPICHJWBA-RBSFLKMASA-N 2 2 247.386 2.143 20 30 BEEDLP N#C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000613254414 361859319 /nfs/dbraw/zinc/85/93/19/361859319.db2.gz JBUXVLPICHJWBA-RBSFLKMASA-N 2 2 247.386 2.143 20 30 BEEDLP C[C@H](CCC#N)C[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000602567596 349619184 /nfs/dbraw/zinc/61/91/84/349619184.db2.gz HLGBIXVREOYIMJ-AGIUHOORSA-N 2 2 235.375 2.141 20 30 BEEDLP C[C@H](CCC#N)C[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000602567596 349619187 /nfs/dbraw/zinc/61/91/87/349619187.db2.gz HLGBIXVREOYIMJ-AGIUHOORSA-N 2 2 235.375 2.141 20 30 BEEDLP C[C@H]1C[C@H]([NH2+]C2CCC(C#N)CC2)C[N@@H+]1C1CC1 ZINC000602569211 349620144 /nfs/dbraw/zinc/62/01/44/349620144.db2.gz NUUIUWHRUZNXDD-ABXWRUBCSA-N 2 2 247.386 2.284 20 30 BEEDLP C[C@H]1C[C@H]([NH2+]C2CCC(C#N)CC2)C[N@H+]1C1CC1 ZINC000602569211 349620147 /nfs/dbraw/zinc/62/01/47/349620147.db2.gz NUUIUWHRUZNXDD-ABXWRUBCSA-N 2 2 247.386 2.284 20 30 BEEDLP C=CCC[C@@H](CC)[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000379974295 538983091 /nfs/dbraw/zinc/98/30/91/538983091.db2.gz CSKBHAAFNMUIFU-CHWSQXEVSA-N 2 2 210.365 2.415 20 30 BEEDLP C=CCC[C@@H](CC)[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000379974295 538983092 /nfs/dbraw/zinc/98/30/92/538983092.db2.gz CSKBHAAFNMUIFU-CHWSQXEVSA-N 2 2 210.365 2.415 20 30 BEEDLP C[C@@H](CCC#N)C[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000602704987 349699075 /nfs/dbraw/zinc/69/90/75/349699075.db2.gz IYJFTHGEPGELBO-STQMWFEESA-N 2 2 237.391 2.389 20 30 BEEDLP C[C@@H](CCC#N)C[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000602704987 349699079 /nfs/dbraw/zinc/69/90/79/349699079.db2.gz IYJFTHGEPGELBO-STQMWFEESA-N 2 2 237.391 2.389 20 30 BEEDLP N#CCC1(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)CC1 ZINC000602771260 349726137 /nfs/dbraw/zinc/72/61/37/349726137.db2.gz BBTHUDIFIFDOHF-ZDUSSCGKSA-N 2 2 244.342 2.214 20 30 BEEDLP N#CCC1(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)CC1 ZINC000602771260 349726139 /nfs/dbraw/zinc/72/61/39/349726139.db2.gz BBTHUDIFIFDOHF-ZDUSSCGKSA-N 2 2 244.342 2.214 20 30 BEEDLP N#CCCC[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000273001377 136283068 /nfs/dbraw/zinc/28/30/68/136283068.db2.gz AETQBPPTNOVPQJ-UHFFFAOYSA-N 2 2 240.310 2.266 20 30 BEEDLP Cc1ccc2[nH+]cc(C[NH2+]CCCC#N)n2c1 ZINC000273085541 136283360 /nfs/dbraw/zinc/28/33/60/136283360.db2.gz RPDOAIHTLBFIQK-UHFFFAOYSA-N 2 2 228.299 2.036 20 30 BEEDLP C=C(C)C[NH+]1CCC(Nc2cc[nH+]cc2F)CC1 ZINC000641357930 362376227 /nfs/dbraw/zinc/37/62/27/362376227.db2.gz BZKGTUFCOPZLGR-UHFFFAOYSA-N 2 2 249.333 2.095 20 30 BEEDLP C[C@@H]1CC[N@H+](Cc2cccc(C#N)c2)[C@@H](C[NH3+])C1 ZINC000235334059 344886865 /nfs/dbraw/zinc/88/68/65/344886865.db2.gz UUGDNWFGBMPMLK-IUODEOHRSA-N 2 2 243.354 2.117 20 30 BEEDLP C[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2)[C@@H](C[NH3+])C1 ZINC000235334059 344886866 /nfs/dbraw/zinc/88/68/66/344886866.db2.gz UUGDNWFGBMPMLK-IUODEOHRSA-N 2 2 243.354 2.117 20 30 BEEDLP CC#CCC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000156646003 187296976 /nfs/dbraw/zinc/29/69/76/187296976.db2.gz BZASYUPJVPGKEL-LBPRGKRZSA-N 2 2 217.316 2.003 20 30 BEEDLP C=CCC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000133041627 345357608 /nfs/dbraw/zinc/35/76/08/345357608.db2.gz KNILWIPVWYROFC-UHFFFAOYSA-N 2 2 205.305 2.096 20 30 BEEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000449446217 201926084 /nfs/dbraw/zinc/92/60/84/201926084.db2.gz OXFFFQYKYFDXOK-UKTARXLSSA-N 2 2 247.386 2.141 20 30 BEEDLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000449446217 201926087 /nfs/dbraw/zinc/92/60/87/201926087.db2.gz OXFFFQYKYFDXOK-UKTARXLSSA-N 2 2 247.386 2.141 20 30 BEEDLP CC[C@@H](CC#N)[NH2+]Cc1cccc2[nH+]ccn21 ZINC000184092485 347148688 /nfs/dbraw/zinc/14/86/88/347148688.db2.gz UMNNUYZNFCKCTA-NSHDSACASA-N 2 2 228.299 2.116 20 30 BEEDLP C=C(C)C[NH2+]Cc1c[nH+]c2ccc(C)cn12 ZINC000119653517 347298474 /nfs/dbraw/zinc/29/84/74/347298474.db2.gz UNUFHKUYZWNEPS-UHFFFAOYSA-N 2 2 215.300 2.308 20 30 BEEDLP CC(C)[NH2+][C@@H]1CCC[N@@H+]([C@@H]2CC[C@H](C#N)C2)C1 ZINC000590166118 347608986 /nfs/dbraw/zinc/60/89/86/347608986.db2.gz QEAQLEVQPIWNSP-BFHYXJOUSA-N 2 2 235.375 2.141 20 30 BEEDLP CC(C)[NH2+][C@@H]1CCC[N@H+]([C@@H]2CC[C@H](C#N)C2)C1 ZINC000590166118 347608990 /nfs/dbraw/zinc/60/89/90/347608990.db2.gz QEAQLEVQPIWNSP-BFHYXJOUSA-N 2 2 235.375 2.141 20 30 BEEDLP C[C@@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1cccc(C#N)c1 ZINC000591578045 347677752 /nfs/dbraw/zinc/67/77/52/347677752.db2.gz PCMXXNNGAYLLQM-IUODEOHRSA-N 2 2 243.354 2.351 20 30 BEEDLP N#C[C@@H]1CC[C@H]([NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000594520380 348069534 /nfs/dbraw/zinc/06/95/34/348069534.db2.gz NWFABTVCTJTYEB-CBBWQLFWSA-N 2 2 247.386 2.285 20 30 BEEDLP N#C[C@@H]1CC[C@H]([NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC000594520380 348069537 /nfs/dbraw/zinc/06/95/37/348069537.db2.gz NWFABTVCTJTYEB-CBBWQLFWSA-N 2 2 247.386 2.285 20 30 BEEDLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000595047915 348180034 /nfs/dbraw/zinc/18/00/34/348180034.db2.gz HTOLRLQOGXNGJS-RWMBFGLXSA-N 2 2 235.375 2.141 20 30 BEEDLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000595047915 348180036 /nfs/dbraw/zinc/18/00/36/348180036.db2.gz HTOLRLQOGXNGJS-RWMBFGLXSA-N 2 2 235.375 2.141 20 30 BEEDLP C[NH+]1CCC([NH2+]CC2(C#N)CCCCC2)CC1 ZINC000594995408 348167700 /nfs/dbraw/zinc/16/77/00/348167700.db2.gz POZARLOCZAFRAZ-UHFFFAOYSA-N 2 2 235.375 2.144 20 30 BEEDLP CCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCC[C@@H](C#N)C2)C1 ZINC000595097590 348194313 /nfs/dbraw/zinc/19/43/13/348194313.db2.gz YISQOGXQLONCSZ-RDBSUJKOSA-N 2 2 235.375 2.143 20 30 BEEDLP CCC[N@H+]1CC[C@H]([NH2+][C@H]2CCC[C@@H](C#N)C2)C1 ZINC000595097590 348194316 /nfs/dbraw/zinc/19/43/16/348194316.db2.gz YISQOGXQLONCSZ-RDBSUJKOSA-N 2 2 235.375 2.143 20 30 BEEDLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CC[C@](C)(C#N)C1 ZINC000595835133 348369174 /nfs/dbraw/zinc/36/91/74/348369174.db2.gz ORTLCVQEHGPCSO-UONOGXRCSA-N 2 2 235.375 2.096 20 30 BEEDLP C[N@H+]1CCCC[C@H]1CC[NH+]1CC[C@](C)(C#N)C1 ZINC000595835133 348369176 /nfs/dbraw/zinc/36/91/76/348369176.db2.gz ORTLCVQEHGPCSO-UONOGXRCSA-N 2 2 235.375 2.096 20 30 BEEDLP C[NH+]1CCCC[C@H]1CC[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595835133 348369179 /nfs/dbraw/zinc/36/91/79/348369179.db2.gz ORTLCVQEHGPCSO-UONOGXRCSA-N 2 2 235.375 2.096 20 30 BEEDLP C[NH+]1CCCC[C@H]1CC[N@H+]1CC[C@](C)(C#N)C1 ZINC000595835133 348369181 /nfs/dbraw/zinc/36/91/81/348369181.db2.gz ORTLCVQEHGPCSO-UONOGXRCSA-N 2 2 235.375 2.096 20 30 BEEDLP C=C(C)C[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000365650763 350545900 /nfs/dbraw/zinc/54/59/00/350545900.db2.gz STHSVCWHZGRECQ-GFCCVEGCSA-N 2 2 219.332 2.176 20 30 BEEDLP C=C(C)C[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000365650763 350545904 /nfs/dbraw/zinc/54/59/04/350545904.db2.gz STHSVCWHZGRECQ-GFCCVEGCSA-N 2 2 219.332 2.176 20 30 BEEDLP C=CCCCC[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000336780941 191130582 /nfs/dbraw/zinc/13/05/82/191130582.db2.gz SPUWWOHIVURWHS-TZMCWYRMSA-N 2 2 222.376 2.415 20 30 BEEDLP C=CCCCC[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000336780941 191130586 /nfs/dbraw/zinc/13/05/86/191130586.db2.gz SPUWWOHIVURWHS-TZMCWYRMSA-N 2 2 222.376 2.415 20 30 BEEDLP C=CCCCC[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000336780939 191130590 /nfs/dbraw/zinc/13/05/90/191130590.db2.gz SPUWWOHIVURWHS-JSGCOSHPSA-N 2 2 222.376 2.415 20 30 BEEDLP C=CCCCC[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000336780939 191130593 /nfs/dbraw/zinc/13/05/93/191130593.db2.gz SPUWWOHIVURWHS-JSGCOSHPSA-N 2 2 222.376 2.415 20 30 BEEDLP C=CC(C)(C)CC[NH2+]Cc1c[nH+]c(C)n1C ZINC000623593029 363029275 /nfs/dbraw/zinc/02/92/75/363029275.db2.gz PTXIURFULCORFI-UHFFFAOYSA-N 2 2 221.348 2.420 20 30 BEEDLP N#C[C@H]1CC[C@H]([NH+]2CCC(c3[nH]cc[nH+]3)CC2)C1 ZINC000278778040 351783094 /nfs/dbraw/zinc/78/30/94/351783094.db2.gz ZENPKMPNXMFAJB-AAEUAGOBSA-N 2 2 244.342 2.281 20 30 BEEDLP N#C[C@@H]1CC[C@@H]([NH+]2CCC(c3[nH]cc[nH+]3)CC2)C1 ZINC000278778041 351783202 /nfs/dbraw/zinc/78/32/02/351783202.db2.gz ZENPKMPNXMFAJB-DGCLKSJQSA-N 2 2 244.342 2.281 20 30 BEEDLP C=CC[NH+]1CCC([NH2+][C@H](C)[C@H]2CC2(F)F)CC1 ZINC000638524063 352356429 /nfs/dbraw/zinc/35/64/29/352356429.db2.gz KITGKTLCNBUGBJ-ZYHUDNBSSA-N 2 2 244.329 2.270 20 30 BEEDLP C=CC[NH+]1CCC([NH2+]Cc2ccco2)CC1 ZINC000163927694 166352645 /nfs/dbraw/zinc/35/26/45/166352645.db2.gz OEYAVKRMDXJJBM-UHFFFAOYSA-N 2 2 220.316 2.020 20 30 BEEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2cn[nH]c2)CC1 ZINC000281064263 353428425 /nfs/dbraw/zinc/42/84/25/353428425.db2.gz SGAIMWGEFRKNLT-LBPRGKRZSA-N 2 2 248.374 2.101 20 30 BEEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2cn[nH]c2)CC1 ZINC000281064262 353428438 /nfs/dbraw/zinc/42/84/38/353428438.db2.gz SGAIMWGEFRKNLT-GFCCVEGCSA-N 2 2 248.374 2.101 20 30 BEEDLP Cc1[nH+]cn(CC#CCn2c[nH+]c(C)c2C)c1C ZINC000284024985 353508080 /nfs/dbraw/zinc/50/80/80/353508080.db2.gz IBSKWCVJABWQDN-UHFFFAOYSA-N 2 2 242.326 2.017 20 30 BEEDLP C#CCC[NH2+][C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000289400465 353626576 /nfs/dbraw/zinc/62/65/76/353626576.db2.gz NXKFDXRDTDHTJR-LSDHHAIUSA-N 2 2 228.339 2.045 20 30 BEEDLP C#CCC[NH2+][C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000289400465 353626578 /nfs/dbraw/zinc/62/65/78/353626578.db2.gz NXKFDXRDTDHTJR-LSDHHAIUSA-N 2 2 228.339 2.045 20 30 BEEDLP C#Cc1ccc(C[NH2+]C[C@@H]2CCC[N@H+]2CC)cc1 ZINC000289206687 353619827 /nfs/dbraw/zinc/61/98/27/353619827.db2.gz IEJJDYXAAMRUQO-INIZCTEOSA-N 2 2 242.366 2.242 20 30 BEEDLP C#Cc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+]2CC)cc1 ZINC000289206687 353619829 /nfs/dbraw/zinc/61/98/29/353619829.db2.gz IEJJDYXAAMRUQO-INIZCTEOSA-N 2 2 242.366 2.242 20 30 BEEDLP CC[N@@H+]1CC[C@@H]([NH+](C)CC2(C#N)CC2)C[C@H]1C ZINC000343316597 353654760 /nfs/dbraw/zinc/65/47/60/353654760.db2.gz SZPKOPFRJUHUSE-CHWSQXEVSA-N 2 2 235.375 2.095 20 30 BEEDLP CC[N@H+]1CC[C@@H]([NH+](C)CC2(C#N)CC2)C[C@H]1C ZINC000343316597 353654762 /nfs/dbraw/zinc/65/47/62/353654762.db2.gz SZPKOPFRJUHUSE-CHWSQXEVSA-N 2 2 235.375 2.095 20 30 BEEDLP CC[NH+]1CC[C@@H]([N@H+](C)CC2(C#N)CC2)C[C@H]1C ZINC000343316597 353654764 /nfs/dbraw/zinc/65/47/64/353654764.db2.gz SZPKOPFRJUHUSE-CHWSQXEVSA-N 2 2 235.375 2.095 20 30 BEEDLP CC[NH+]1CC[C@@H]([N@@H+](C)CC2(C#N)CC2)C[C@H]1C ZINC000343316597 353654766 /nfs/dbraw/zinc/65/47/66/353654766.db2.gz SZPKOPFRJUHUSE-CHWSQXEVSA-N 2 2 235.375 2.095 20 30 BEEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(CC)o1 ZINC000295079167 353800588 /nfs/dbraw/zinc/80/05/88/353800588.db2.gz SZHDIJZQSOYUQC-ZDUSSCGKSA-N 2 2 248.370 2.448 20 30 BEEDLP C=C(C[NH2+][C@H]1C[N@@H+](C)C[C@H]1C)c1ccccc1 ZINC000343802693 354006647 /nfs/dbraw/zinc/00/66/47/354006647.db2.gz DXDUCFROAIEDIA-HIFRSBDPSA-N 2 2 230.355 2.240 20 30 BEEDLP C=C(C[NH2+][C@H]1C[N@H+](C)C[C@H]1C)c1ccccc1 ZINC000343802693 354006649 /nfs/dbraw/zinc/00/66/49/354006649.db2.gz DXDUCFROAIEDIA-HIFRSBDPSA-N 2 2 230.355 2.240 20 30 BEEDLP C=C(CC)C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000449735931 202014376 /nfs/dbraw/zinc/01/43/76/202014376.db2.gz SSLYDXQDRWQFFB-UHFFFAOYSA-N 2 2 239.388 2.261 20 30 BEEDLP N#CC1CC[NH+](Cc2cccc3[nH+]ccn32)CC1 ZINC000179924257 366334854 /nfs/dbraw/zinc/33/48/54/366334854.db2.gz QYKPCCDZNBYGHA-UHFFFAOYSA-N 2 2 240.310 2.070 20 30 BEEDLP CC[N@@H+]1CC[C@H]([NH+](C)CC2(C#N)CCC2)C[C@H]1C ZINC000450465071 202175072 /nfs/dbraw/zinc/17/50/72/202175072.db2.gz DATVSRREWGURCN-KGLIPLIRSA-N 2 2 249.402 2.485 20 30 BEEDLP CC[N@H+]1CC[C@H]([NH+](C)CC2(C#N)CCC2)C[C@H]1C ZINC000450465071 202175076 /nfs/dbraw/zinc/17/50/76/202175076.db2.gz DATVSRREWGURCN-KGLIPLIRSA-N 2 2 249.402 2.485 20 30 BEEDLP CC[NH+]1CC[C@H]([N@H+](C)CC2(C#N)CCC2)C[C@H]1C ZINC000450465071 202175079 /nfs/dbraw/zinc/17/50/79/202175079.db2.gz DATVSRREWGURCN-KGLIPLIRSA-N 2 2 249.402 2.485 20 30 BEEDLP CC[NH+]1CC[C@H]([N@@H+](C)CC2(C#N)CCC2)C[C@H]1C ZINC000450465071 202175082 /nfs/dbraw/zinc/17/50/82/202175082.db2.gz DATVSRREWGURCN-KGLIPLIRSA-N 2 2 249.402 2.485 20 30 BEEDLP C=CCSCC[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000127514537 358563402 /nfs/dbraw/zinc/56/34/02/358563402.db2.gz RCCXQNNOUNLTFM-NEPJUHHUSA-N 2 2 240.416 2.120 20 30 BEEDLP C=CCSCC[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000127514537 358563406 /nfs/dbraw/zinc/56/34/06/358563406.db2.gz RCCXQNNOUNLTFM-NEPJUHHUSA-N 2 2 240.416 2.120 20 30 BEEDLP C[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc(C#N)cc1F ZINC000423322124 192706974 /nfs/dbraw/zinc/70/69/74/192706974.db2.gz NPHHMVBAPYTKAF-YMTOWFKASA-N 2 2 247.317 2.085 20 30 BEEDLP CC[N@H+](CCC#N)Cc1ccc(C[NH+](C)C)cc1 ZINC000611253922 359275006 /nfs/dbraw/zinc/27/50/06/359275006.db2.gz WWZHXGBSVJXTGY-UHFFFAOYSA-N 2 2 245.370 2.484 20 30 BEEDLP CC[N@@H+](CCC#N)Cc1ccc(C[NH+](C)C)cc1 ZINC000611253922 359275009 /nfs/dbraw/zinc/27/50/09/359275009.db2.gz WWZHXGBSVJXTGY-UHFFFAOYSA-N 2 2 245.370 2.484 20 30 BEEDLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC[C@@](C)(C#N)C1 ZINC000612163682 359716134 /nfs/dbraw/zinc/71/61/34/359716134.db2.gz YWIMABPWRHBUER-GJZGRUSLSA-N 2 2 249.402 2.486 20 30 BEEDLP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC[C@@](C)(C#N)C1 ZINC000612163682 359716137 /nfs/dbraw/zinc/71/61/37/359716137.db2.gz YWIMABPWRHBUER-GJZGRUSLSA-N 2 2 249.402 2.486 20 30 BEEDLP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612163682 359716139 /nfs/dbraw/zinc/71/61/39/359716139.db2.gz YWIMABPWRHBUER-GJZGRUSLSA-N 2 2 249.402 2.486 20 30 BEEDLP C[NH+]1CCCC[C@H]1CC[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612163682 359716143 /nfs/dbraw/zinc/71/61/43/359716143.db2.gz YWIMABPWRHBUER-GJZGRUSLSA-N 2 2 249.402 2.486 20 30 BEEDLP CCC#C[C@@H](C)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001642120453 1172321692 /nfs/dbraw/zinc/32/16/92/1172321692.db2.gz NILZTSDOLXHCIM-CHWSQXEVSA-N 2 2 231.343 2.391 20 30 BEEDLP CCC#C[C@@H](C)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001642120453 1172321698 /nfs/dbraw/zinc/32/16/98/1172321698.db2.gz NILZTSDOLXHCIM-CHWSQXEVSA-N 2 2 231.343 2.391 20 30 BEEDLP C[C@@H]1CC[N@H+](CC[NH2+][C@H]2CCC[C@@H](C#N)C2)C1 ZINC000618569894 369175344 /nfs/dbraw/zinc/17/53/44/369175344.db2.gz FIANVFLVJUTUHX-MCIONIFRSA-N 2 2 235.375 2.000 20 30 BEEDLP C[C@@H]1CC[N@@H+](CC[NH2+][C@H]2CCC[C@@H](C#N)C2)C1 ZINC000618569894 369175348 /nfs/dbraw/zinc/17/53/48/369175348.db2.gz FIANVFLVJUTUHX-MCIONIFRSA-N 2 2 235.375 2.000 20 30 BEEDLP C[C@H]1C[C@@H]([NH2+]CC(C)(C)CC#N)C[N@@H+]1C1CC1 ZINC000459726762 203343248 /nfs/dbraw/zinc/34/32/48/203343248.db2.gz FNIUBJKASYTBLG-NWDGAFQWSA-N 2 2 235.375 2.141 20 30 BEEDLP C[C@H]1C[C@@H]([NH2+]CC(C)(C)CC#N)C[N@H+]1C1CC1 ZINC000459726762 203343250 /nfs/dbraw/zinc/34/32/50/203343250.db2.gz FNIUBJKASYTBLG-NWDGAFQWSA-N 2 2 235.375 2.141 20 30 BEEDLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000600711528 369559893 /nfs/dbraw/zinc/55/98/93/369559893.db2.gz UWEBNNHAUCGLTR-BYCMXARLSA-N 2 2 243.354 2.349 20 30 BEEDLP C[C@@H]1CCC[N@H+](Cc2cccc(C#N)c2)[C@@H]1C[NH3+] ZINC000070175333 371012047 /nfs/dbraw/zinc/01/20/47/371012047.db2.gz BKPYQIPAIATIKN-IUODEOHRSA-N 2 2 243.354 2.117 20 30 BEEDLP C[C@@H]1CCC[N@@H+](Cc2cccc(C#N)c2)[C@@H]1C[NH3+] ZINC000070175333 371012054 /nfs/dbraw/zinc/01/20/54/371012054.db2.gz BKPYQIPAIATIKN-IUODEOHRSA-N 2 2 243.354 2.117 20 30 BEEDLP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC000019960177 371212138 /nfs/dbraw/zinc/21/21/38/371212138.db2.gz UPDUSJAISLSJIB-HNNXBMFYSA-N 2 2 243.354 2.132 20 30 BEEDLP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC000019960177 371212143 /nfs/dbraw/zinc/21/21/43/371212143.db2.gz UPDUSJAISLSJIB-HNNXBMFYSA-N 2 2 243.354 2.132 20 30 BEEDLP C=C[C@@H](C)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000119344466 384327692 /nfs/dbraw/zinc/32/76/92/384327692.db2.gz WUYANXLJLAWFLD-GFCCVEGCSA-N 2 2 231.343 2.215 20 30 BEEDLP C=C(CC)C[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000313495662 384425555 /nfs/dbraw/zinc/42/55/55/384425555.db2.gz XSEXLPFQDUCATM-RYUDHWBXSA-N 2 2 208.349 2.167 20 30 BEEDLP C=C(CC)C[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000313495662 384425562 /nfs/dbraw/zinc/42/55/62/384425562.db2.gz XSEXLPFQDUCATM-RYUDHWBXSA-N 2 2 208.349 2.167 20 30 BEEDLP C=CCC[C@H](C)[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000126758302 384801788 /nfs/dbraw/zinc/80/17/88/384801788.db2.gz YGTSGKUFXDIEMJ-NWDGAFQWSA-N 2 2 207.321 2.216 20 30 BEEDLP CCCC[N@H+](C)CC[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000310037189 384802559 /nfs/dbraw/zinc/80/25/59/384802559.db2.gz UWQITPZNVSCYKK-OLZOCXBDSA-N 2 2 223.364 2.000 20 30 BEEDLP CCCC[N@@H+](C)CC[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000310037189 384802563 /nfs/dbraw/zinc/80/25/63/384802563.db2.gz UWQITPZNVSCYKK-OLZOCXBDSA-N 2 2 223.364 2.000 20 30 BEEDLP C=C[C@H](C)[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000358311785 384945747 /nfs/dbraw/zinc/94/57/47/384945747.db2.gz ZPPJDBFASKJIAP-ZDUSSCGKSA-N 2 2 245.370 2.210 20 30 BEEDLP C=C(Cl)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000157350465 385143332 /nfs/dbraw/zinc/14/33/32/385143332.db2.gz AJQRVFKBDUMHNB-GFCCVEGCSA-N 2 2 228.767 2.157 20 30 BEEDLP C=C(Cl)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000157350465 385143336 /nfs/dbraw/zinc/14/33/36/385143336.db2.gz AJQRVFKBDUMHNB-GFCCVEGCSA-N 2 2 228.767 2.157 20 30 BEEDLP C=C[C@H](C)[NH2+]CCCc1c[nH+]ccc1C ZINC000309130998 385431482 /nfs/dbraw/zinc/43/14/82/385431482.db2.gz QZIJIYNJAMVZOU-LBPRGKRZSA-N 2 2 204.317 2.487 20 30 BEEDLP C=CCOc1ccc(C[NH2+]C[C@H]2CCC[NH2+]2)cc1 ZINC000414848977 385617126 /nfs/dbraw/zinc/61/71/26/385617126.db2.gz QKUBHADNTXPBIO-CQSZACIVSA-N 2 2 246.354 2.093 20 30 BEEDLP C[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(C#N)cs2)C1 ZINC000125550484 385708633 /nfs/dbraw/zinc/70/86/33/385708633.db2.gz ZODWASNKPMCGRY-NSHDSACASA-N 2 2 249.383 2.003 20 30 BEEDLP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(C#N)cs2)C1 ZINC000125550484 385708638 /nfs/dbraw/zinc/70/86/38/385708638.db2.gz ZODWASNKPMCGRY-NSHDSACASA-N 2 2 249.383 2.003 20 30 BEEDLP C=CCOc1ccc(C[NH2+]CC[NH2+]CCC)cc1 ZINC000414863612 385759515 /nfs/dbraw/zinc/75/95/15/385759515.db2.gz AYHJOZIBXWIQGO-UHFFFAOYSA-N 2 2 248.370 2.341 20 30 BEEDLP C=CCC[C@H](C)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000336738376 385834777 /nfs/dbraw/zinc/83/47/77/385834777.db2.gz KCBAJBSNEASNME-RYUDHWBXSA-N 2 2 219.332 2.142 20 30 BEEDLP C=CCC[C@H](C)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000336738375 385835007 /nfs/dbraw/zinc/83/50/07/385835007.db2.gz KCBAJBSNEASNME-NWDGAFQWSA-N 2 2 219.332 2.142 20 30 BEEDLP C=CCOc1ccccc1C[NH2+][C@@H]1CCC[NH2+]C1 ZINC000414867005 385788898 /nfs/dbraw/zinc/78/88/98/385788898.db2.gz NSIODZJPQZZUPI-CQSZACIVSA-N 2 2 246.354 2.093 20 30 BEEDLP C=CC[N@@H+](CCc1ccccc1)C[C@@H](C)[NH3+] ZINC000442664836 386413274 /nfs/dbraw/zinc/41/32/74/386413274.db2.gz KVINKWULJQRBJC-CYBMUJFWSA-N 2 2 218.344 2.064 20 30 BEEDLP C=CC[N@H+](CCc1ccccc1)C[C@@H](C)[NH3+] ZINC000442664836 386413281 /nfs/dbraw/zinc/41/32/81/386413281.db2.gz KVINKWULJQRBJC-CYBMUJFWSA-N 2 2 218.344 2.064 20 30 BEEDLP C=CCOc1ccccc1C[N@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000414773787 386466607 /nfs/dbraw/zinc/46/66/07/386466607.db2.gz SWUBMHHMDNADPB-JSGCOSHPSA-N 2 2 246.354 2.173 20 30 BEEDLP C=CCOc1ccccc1C[N@@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000414773787 386466613 /nfs/dbraw/zinc/46/66/13/386466613.db2.gz SWUBMHHMDNADPB-JSGCOSHPSA-N 2 2 246.354 2.173 20 30 BEEDLP C[NH+](C)C1(C[NH2+]C2CCC(C)(C#N)CC2)CC1 ZINC000417353750 386490265 /nfs/dbraw/zinc/49/02/65/386490265.db2.gz JYCLDUXOOKCEAX-UHFFFAOYSA-N 2 2 235.375 2.143 20 30 BEEDLP C=CC[C@H](C)[C@@H](C)[NH2+]CC1([NH+](C)C)CC1 ZINC000417357735 386493574 /nfs/dbraw/zinc/49/35/74/386493574.db2.gz RXQNDEGHJOXBRS-NWDGAFQWSA-N 2 2 210.365 2.271 20 30 BEEDLP N#C[C@H]1CC[C@H]([NH2+]CCCNc2cccc[nH+]2)C1 ZINC000442774466 386653187 /nfs/dbraw/zinc/65/31/87/386653187.db2.gz ZEVPJGGNZCHTJM-STQMWFEESA-N 2 2 244.342 2.165 20 30 BEEDLP C=CCOc1cccc(C[NH2+]C[C@@H]2CCC[NH2+]2)c1 ZINC000414842073 386748453 /nfs/dbraw/zinc/74/84/53/386748453.db2.gz IKXSVJOPKKGXDG-AWEZNQCLSA-N 2 2 246.354 2.093 20 30 BEEDLP C=CC[NH+]1CCC([NH2+][C@H]2CS[C@@H](C)C2)CC1 ZINC000638523751 386857484 /nfs/dbraw/zinc/85/74/84/386857484.db2.gz GGPCCXSFDNSHRE-WCQYABFASA-N 2 2 240.416 2.120 20 30 BEEDLP N#C[C@@H]1CCC[C@H]([NH2+]CC[NH+]2CCCCC2)C1 ZINC000192641542 387047740 /nfs/dbraw/zinc/04/77/40/387047740.db2.gz XTPBNZLZJJJKMY-KGLIPLIRSA-N 2 2 235.375 2.144 20 30 BEEDLP C[C@@H]1CC[N@H+](CCCCC#N)C[C@H]1n1cc[nH+]c1 ZINC000246371296 387080122 /nfs/dbraw/zinc/08/01/22/387080122.db2.gz YLYOMJWMZUGPNS-ZIAGYGMSSA-N 2 2 246.358 2.460 20 30 BEEDLP C[C@@H]1CC[N@@H+](CCCCC#N)C[C@H]1n1cc[nH+]c1 ZINC000246371296 387080126 /nfs/dbraw/zinc/08/01/26/387080126.db2.gz YLYOMJWMZUGPNS-ZIAGYGMSSA-N 2 2 246.358 2.460 20 30 BEEDLP Cc1c[nH+]ccc1CC[NH2+]Cc1ccc(C#N)o1 ZINC000269966769 387296052 /nfs/dbraw/zinc/29/60/52/387296052.db2.gz KCXJQIODZMQFNC-UHFFFAOYSA-N 2 2 241.294 2.187 20 30 BEEDLP C#CC[C@H]([NH2+]CCn1cc[nH+]c1)c1ccccc1 ZINC000271689803 387445575 /nfs/dbraw/zinc/44/55/75/387445575.db2.gz KDHQLDLYYCVDAY-HNNXBMFYSA-N 2 2 239.322 2.237 20 30 BEEDLP C=C(Cl)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000269632188 387419843 /nfs/dbraw/zinc/41/98/43/387419843.db2.gz LXRAMBSPDRCUDP-JTQLQIEISA-N 2 2 225.723 2.342 20 30 BEEDLP C=C(Cl)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000269632188 387419849 /nfs/dbraw/zinc/41/98/49/387419849.db2.gz LXRAMBSPDRCUDP-JTQLQIEISA-N 2 2 225.723 2.342 20 30 BEEDLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CC2CCC(C#N)CC2)C1 ZINC000441389442 387757998 /nfs/dbraw/zinc/75/79/98/387757998.db2.gz ZLSQXHCVLDETLR-XSCHDIRWSA-N 2 2 249.402 2.246 20 30 BEEDLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CC2CCC(C#N)CC2)C1 ZINC000441389442 387758000 /nfs/dbraw/zinc/75/80/00/387758000.db2.gz ZLSQXHCVLDETLR-XSCHDIRWSA-N 2 2 249.402 2.246 20 30 BEEDLP C[C@H](C[NH2+][C@@H]1CC[C@H](C#N)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000442719231 387828200 /nfs/dbraw/zinc/82/82/00/387828200.db2.gz RHORJQGDCKWWNA-APIJFGDWSA-N 2 2 249.402 2.389 20 30 BEEDLP C[C@H](C[NH2+][C@@H]1CC[C@H](C#N)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000442719231 387828204 /nfs/dbraw/zinc/82/82/04/387828204.db2.gz RHORJQGDCKWWNA-APIJFGDWSA-N 2 2 249.402 2.389 20 30 BEEDLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000442726301 387831446 /nfs/dbraw/zinc/83/14/46/387831446.db2.gz RVJXQFSIMHYYGE-RDBSUJKOSA-N 2 2 235.375 2.143 20 30 BEEDLP C[C@@H]1[C@H]([NH2+][C@H]2CCC[C@H](C#N)C2)CCC[N@@H+]1C ZINC000446763564 388037786 /nfs/dbraw/zinc/03/77/86/388037786.db2.gz WXDKMNVASQNYLG-ZOBORPQBSA-N 2 2 235.375 2.141 20 30 BEEDLP C[C@@H]1[C@H]([NH2+][C@H]2CCC[C@H](C#N)C2)CCC[N@H+]1C ZINC000446763564 388037787 /nfs/dbraw/zinc/03/77/87/388037787.db2.gz WXDKMNVASQNYLG-ZOBORPQBSA-N 2 2 235.375 2.141 20 30 BEEDLP N#C[C@@H]1CCC[C@H]([NH2+]C[C@@H]([NH3+])c2ccccc2)C1 ZINC000423248428 388031972 /nfs/dbraw/zinc/03/19/72/388031972.db2.gz RTVZPVKQHIOONB-VHDGCEQUSA-N 2 2 243.354 2.358 20 30 BEEDLP C=C[C@@H]1CCCC[N@H+]1CCn1cc[nH+]c1C ZINC000489504465 388220216 /nfs/dbraw/zinc/22/02/16/388220216.db2.gz AFFQJMVKLRDLAW-CYBMUJFWSA-N 2 2 219.332 2.232 20 30 BEEDLP C=C[C@@H]1CCCC[N@@H+]1CCn1cc[nH+]c1C ZINC000489504465 388220217 /nfs/dbraw/zinc/22/02/17/388220217.db2.gz AFFQJMVKLRDLAW-CYBMUJFWSA-N 2 2 219.332 2.232 20 30 BEEDLP C#C[C@@H](CC)[NH2+]Cc1c[nH+]c2ccc(C)cn12 ZINC000491663412 388309149 /nfs/dbraw/zinc/30/91/49/388309149.db2.gz MTQAZQYKOQOLIL-LBPRGKRZSA-N 2 2 227.311 2.144 20 30 BEEDLP C#C[C@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000491724755 388314963 /nfs/dbraw/zinc/31/49/63/388314963.db2.gz AFBCQROLKPZCFM-HNNXBMFYSA-N 2 2 246.329 2.184 20 30 BEEDLP CC[C@H]([NH2+]Cc1cccc(C#N)c1)[C@@H]1CCC[NH2+]1 ZINC000422961156 388686664 /nfs/dbraw/zinc/68/66/64/388686664.db2.gz AUYPQKWDGIXUKU-GJZGRUSLSA-N 2 2 243.354 2.178 20 30 BEEDLP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1Cc1cccc(C#N)c1 ZINC000063191709 388659990 /nfs/dbraw/zinc/65/99/90/388659990.db2.gz LEZNUOQMVKRVSK-IUODEOHRSA-N 2 2 243.354 2.260 20 30 BEEDLP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1Cc1cccc(C#N)c1 ZINC000063191709 388659993 /nfs/dbraw/zinc/65/99/93/388659993.db2.gz LEZNUOQMVKRVSK-IUODEOHRSA-N 2 2 243.354 2.260 20 30 BEEDLP C[C@@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc(C#N)cc1F ZINC000423266749 388689913 /nfs/dbraw/zinc/68/99/13/388689913.db2.gz CFXHVSIQBYBWSR-YMTOWFKASA-N 2 2 247.317 2.085 20 30 BEEDLP C[C@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc(C#N)c(F)c1 ZINC000423280216 388690099 /nfs/dbraw/zinc/69/00/99/388690099.db2.gz SMHWFXZHIRKBGJ-LKFCYVNXSA-N 2 2 247.317 2.085 20 30 BEEDLP C[C@@H]([NH2+]CC(C)(C)[NH3+])c1ccc(C#N)cc1F ZINC000423288819 388690114 /nfs/dbraw/zinc/69/01/14/388690114.db2.gz VGCVJDYZTFONLI-SECBINFHSA-N 2 2 235.306 2.085 20 30 BEEDLP C[C@H]([NH2+][C@H]1C[NH2+]CC[C@@H]1C)c1ccc(C#N)cc1 ZINC000423354640 388690861 /nfs/dbraw/zinc/69/08/61/388690861.db2.gz DDNXRTLKOBXOGG-HUBLWGQQSA-N 2 2 243.354 2.207 20 30 BEEDLP C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)c(F)c1)[C@H](C)[NH3+] ZINC000423453508 388692896 /nfs/dbraw/zinc/69/28/96/388692896.db2.gz XTDZLZOBXXXNOI-AEJSXWLSSA-N 2 2 235.306 2.084 20 30 BEEDLP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000423478516 388693126 /nfs/dbraw/zinc/69/31/26/388693126.db2.gz USFHZMRCRLOMHO-ONGXEEELSA-N 2 2 235.306 2.085 20 30 BEEDLP C=C(C)C[NH+]1CCC(Nc2cc(C)[nH+]cn2)CC1 ZINC000301246331 134156517 /nfs/dbraw/zinc/15/65/17/134156517.db2.gz LEXXBWDXJSOECR-UHFFFAOYSA-N 2 2 246.358 2.237 20 30 BEEDLP C=C(Cl)C[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000373110941 134233480 /nfs/dbraw/zinc/23/34/80/134233480.db2.gz JUAPXZIIMVOODL-LLVKDONJSA-N 2 2 239.750 2.352 20 30 BEEDLP C=C(Cl)C[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000373110941 134233481 /nfs/dbraw/zinc/23/34/81/134233481.db2.gz JUAPXZIIMVOODL-LLVKDONJSA-N 2 2 239.750 2.352 20 30 BEEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCC[C@H](C#N)C2)CC1 ZINC000185815054 134390611 /nfs/dbraw/zinc/39/06/11/134390611.db2.gz NLEZMRZPXDWXSN-ZFWWWQNUSA-N 2 2 247.386 2.309 20 30 BEEDLP CC1CC[NH+](CC[NH2+][C@H]2CCC[C@@H](C#N)C2)CC1 ZINC000185779483 134394940 /nfs/dbraw/zinc/39/49/40/134394940.db2.gz LGROKZGZNKMVBG-CABCVRRESA-N 2 2 249.402 2.390 20 30 BEEDLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000253201723 135124542 /nfs/dbraw/zinc/12/45/42/135124542.db2.gz YFGNXKWVUYFPSP-ZWNOBZJWSA-N 2 2 249.383 2.050 20 30 BEEDLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000253201723 135124543 /nfs/dbraw/zinc/12/45/43/135124543.db2.gz YFGNXKWVUYFPSP-ZWNOBZJWSA-N 2 2 249.383 2.050 20 30 BEEDLP C=CCCC[NH+]1CCN(c2c[nH+]ccc2C)CC1 ZINC000340600841 135199116 /nfs/dbraw/zinc/19/91/16/135199116.db2.gz PZJAAFDWIXJJPJ-UHFFFAOYSA-N 2 2 245.370 2.478 20 30 BEEDLP C=CC[NH2+][C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000284342809 135371565 /nfs/dbraw/zinc/37/15/65/135371565.db2.gz RGYKNRRHZZGGBE-KGLIPLIRSA-N 2 2 216.328 2.207 20 30 BEEDLP C=CC[NH2+][C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000284342809 135371567 /nfs/dbraw/zinc/37/15/67/135371567.db2.gz RGYKNRRHZZGGBE-KGLIPLIRSA-N 2 2 216.328 2.207 20 30 BEEDLP C=CCOCCC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000348042131 136029331 /nfs/dbraw/zinc/02/93/31/136029331.db2.gz YTVQVKHJUVKZSL-ZDUSSCGKSA-N 2 2 249.358 2.182 20 30 BEEDLP C=CCOCCC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000348042131 136029332 /nfs/dbraw/zinc/02/93/32/136029332.db2.gz YTVQVKHJUVKZSL-ZDUSSCGKSA-N 2 2 249.358 2.182 20 30 BEEDLP C=C[C@H](C)[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000309104287 397849270 /nfs/dbraw/zinc/84/92/70/397849270.db2.gz HDMRAIVNAFFXPA-NSHDSACASA-N 2 2 204.317 2.487 20 30 BEEDLP C=C[C@@H]1CCCC[N@H+]1CC[NH2+]C(C)(C)C ZINC000414760855 398026830 /nfs/dbraw/zinc/02/68/30/398026830.db2.gz RPTYLCBGIRAXNA-GFCCVEGCSA-N 2 2 210.365 2.415 20 30 BEEDLP C=C[C@@H]1CCCC[N@@H+]1CC[NH2+]C(C)(C)C ZINC000414760855 398026832 /nfs/dbraw/zinc/02/68/32/398026832.db2.gz RPTYLCBGIRAXNA-GFCCVEGCSA-N 2 2 210.365 2.415 20 30 BEEDLP C=C[C@H]1CCCC[N@H+]1CC[NH2+]C(C)(C)C ZINC000414760857 398026846 /nfs/dbraw/zinc/02/68/46/398026846.db2.gz RPTYLCBGIRAXNA-LBPRGKRZSA-N 2 2 210.365 2.415 20 30 BEEDLP C=C[C@H]1CCCC[N@@H+]1CC[NH2+]C(C)(C)C ZINC000414760857 398026849 /nfs/dbraw/zinc/02/68/49/398026849.db2.gz RPTYLCBGIRAXNA-LBPRGKRZSA-N 2 2 210.365 2.415 20 30 BEEDLP C#CCCCC[NH2+]Cc1cccc2[nH+]ccn21 ZINC000179429418 166126993 /nfs/dbraw/zinc/12/69/93/166126993.db2.gz JTOUFJMLEIIERX-UHFFFAOYSA-N 2 2 227.311 2.227 20 30 BEEDLP C#CCCC[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000271195098 166130684 /nfs/dbraw/zinc/13/06/84/166130684.db2.gz DGFCPAHDUNXTLQ-ZIAGYGMSSA-N 2 2 231.343 2.179 20 30 BEEDLP C#CCCC[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000271195098 166130686 /nfs/dbraw/zinc/13/06/86/166130686.db2.gz DGFCPAHDUNXTLQ-ZIAGYGMSSA-N 2 2 231.343 2.179 20 30 BEEDLP C=CCC[C@H](C)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000336740839 166302572 /nfs/dbraw/zinc/30/25/72/166302572.db2.gz MOKXOZVJRNGFKM-WDEREUQCSA-N 2 2 219.332 2.211 20 30 BEEDLP C=CCC[C@H](C)[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000336740839 166302573 /nfs/dbraw/zinc/30/25/73/166302573.db2.gz MOKXOZVJRNGFKM-WDEREUQCSA-N 2 2 219.332 2.211 20 30 BEEDLP C=CC[C@H]1CC[C@@H]([NH2+]CC[NH+]2CCCC2)C1 ZINC000651749803 411140983 /nfs/dbraw/zinc/14/09/83/411140983.db2.gz KFQGKBFDIIIUIZ-UONOGXRCSA-N 2 2 222.376 2.417 20 30 BEEDLP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H](C)[NH+](C)C)C1 ZINC000651752091 411141734 /nfs/dbraw/zinc/14/17/34/411141734.db2.gz UMKSHBCKCIXKEM-JHJVBQTASA-N 2 2 210.365 2.271 20 30 BEEDLP C=CC[C@@H]1CC[C@H]([NH2+][C@@H](C)C[NH+](C)C)C1 ZINC000651806989 411144760 /nfs/dbraw/zinc/14/47/60/411144760.db2.gz GPXYPQWXKSVWMT-XQQFMLRXSA-N 2 2 210.365 2.271 20 30 BEEDLP C[C@H](CCCC#N)[N@@H+]1C[C@@H]2CCC[NH+](C)[C@@H]2C1 ZINC001172508960 974861644 /nfs/dbraw/zinc/86/16/44/974861644.db2.gz ICFZVWWMURMNLZ-HZSPNIEDSA-N 2 2 235.375 2.095 20 30 BEEDLP C[C@H](CCCC#N)[N@H+]1C[C@@H]2CCC[NH+](C)[C@@H]2C1 ZINC001172508960 974861647 /nfs/dbraw/zinc/86/16/47/974861647.db2.gz ICFZVWWMURMNLZ-HZSPNIEDSA-N 2 2 235.375 2.095 20 30 BEEDLP C[C@H](CCCC#N)[NH+]1C[C@@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001172508960 974861652 /nfs/dbraw/zinc/86/16/52/974861652.db2.gz ICFZVWWMURMNLZ-HZSPNIEDSA-N 2 2 235.375 2.095 20 30 BEEDLP C[C@H](CCCC#N)[NH+]1C[C@@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001172508960 974861655 /nfs/dbraw/zinc/86/16/55/974861655.db2.gz ICFZVWWMURMNLZ-HZSPNIEDSA-N 2 2 235.375 2.095 20 30 BEEDLP C=CC[C@@H](CC)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657456582 411515635 /nfs/dbraw/zinc/51/56/35/411515635.db2.gz SOGGDFVHFLBWBI-LLVKDONJSA-N 2 2 219.332 2.274 20 30 BEEDLP C[C@H]1CC[N@H+](Cc2cccc(C#N)c2)[C@H](C[NH3+])C1 ZINC000300094081 177166049 /nfs/dbraw/zinc/16/60/49/177166049.db2.gz UUGDNWFGBMPMLK-WFASDCNBSA-N 2 2 243.354 2.117 20 30 BEEDLP C[C@H]1CC[N@@H+](Cc2cccc(C#N)c2)[C@H](C[NH3+])C1 ZINC000300094081 177166051 /nfs/dbraw/zinc/16/60/51/177166051.db2.gz UUGDNWFGBMPMLK-WFASDCNBSA-N 2 2 243.354 2.117 20 30 BEEDLP C=CC[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000130702502 325081345 /nfs/dbraw/zinc/08/13/45/325081345.db2.gz UOQGCROILUTTFX-UHFFFAOYSA-N 2 2 236.281 2.179 20 30 BEEDLP C=CCCCCC[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000565906125 325973363 /nfs/dbraw/zinc/97/33/63/325973363.db2.gz XPPGOPNONCJMCJ-KGLIPLIRSA-N 2 2 240.391 2.089 20 30 BEEDLP CCC#C[C@H](C)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000677480517 488050011 /nfs/dbraw/zinc/05/00/11/488050011.db2.gz YQTSEIDEEQFBRD-ZDUSSCGKSA-N 2 2 231.343 2.322 20 30 BEEDLP C=CC1CC[NH+](Cc2c[nH+]c(C)n2C)CC1 ZINC000667624160 488061176 /nfs/dbraw/zinc/06/11/76/488061176.db2.gz OZYYKOBUTRMERX-UHFFFAOYSA-N 2 2 219.332 2.127 20 30 BEEDLP C=CCC[C@@H](C)[NH2+]C[C@H]1CCC[N@H+]1CC ZINC000102232200 518710161 /nfs/dbraw/zinc/71/01/61/518710161.db2.gz XMDBXXDNGCAQLL-CHWSQXEVSA-N 2 2 210.365 2.415 20 30 BEEDLP C=CCC[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+]1CC ZINC000102232200 518710164 /nfs/dbraw/zinc/71/01/64/518710164.db2.gz XMDBXXDNGCAQLL-CHWSQXEVSA-N 2 2 210.365 2.415 20 30 BEEDLP C=C1CC[NH+](CC#CC[NH+]2CCC(=C)CC2)CC1 ZINC000341873028 534463366 /nfs/dbraw/zinc/46/33/66/534463366.db2.gz RBCNCFFIMMPXRA-UHFFFAOYSA-N 2 2 244.382 2.294 20 30 BEEDLP C=CCCC[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000309140738 534736434 /nfs/dbraw/zinc/73/64/34/534736434.db2.gz SYBLDWBZWZISLW-YPMHNXCESA-N 2 2 208.349 2.025 20 30 BEEDLP C=CCCC[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000309140738 534736440 /nfs/dbraw/zinc/73/64/40/534736440.db2.gz SYBLDWBZWZISLW-YPMHNXCESA-N 2 2 208.349 2.025 20 30 BEEDLP C=CCC[C@@H]([NH2+]C[C@@H](C)[NH+](C)C)C1CC1 ZINC000125320840 534798616 /nfs/dbraw/zinc/79/86/16/534798616.db2.gz NKVIEMSTHUGOFH-DGCLKSJQSA-N 2 2 210.365 2.271 20 30 BEEDLP C#CC[N@@H+](CCCc1ccc(C)[nH+]c1)C1CC1 ZINC000491639788 566452158 /nfs/dbraw/zinc/45/21/58/566452158.db2.gz ZHRKOSCDAYULBA-UHFFFAOYSA-N 2 2 228.339 2.420 20 30 BEEDLP C#CC[N@H+](CCCc1ccc(C)[nH+]c1)C1CC1 ZINC000491639788 566452168 /nfs/dbraw/zinc/45/21/68/566452168.db2.gz ZHRKOSCDAYULBA-UHFFFAOYSA-N 2 2 228.339 2.420 20 30 BEEDLP C[C@H](CCC#N)C[NH2+]Cc1cc(N(C)C)cc[nH+]1 ZINC000896297441 583789282 /nfs/dbraw/zinc/78/92/82/583789282.db2.gz AZYYSSQSDSLCQD-GFCCVEGCSA-N 2 2 246.358 2.177 20 30 BEEDLP C[C@@H](CCC#N)C[NH2+]CC[N@@H+]1CCC(C)(C)C1 ZINC000898033960 584077970 /nfs/dbraw/zinc/07/79/70/584077970.db2.gz FCYCSDLPYJTAKQ-ZDUSSCGKSA-N 2 2 237.391 2.248 20 30 BEEDLP C[C@@H](CCC#N)C[NH2+]CC[N@H+]1CCC(C)(C)C1 ZINC000898033960 584077972 /nfs/dbraw/zinc/07/79/72/584077972.db2.gz FCYCSDLPYJTAKQ-ZDUSSCGKSA-N 2 2 237.391 2.248 20 30 BEEDLP CC1(C)CC[N@H+](CC[NH2+][C@@H]2CC[C@@H](C#N)C2)C1 ZINC000898034095 584078248 /nfs/dbraw/zinc/07/82/48/584078248.db2.gz HYMKLUFESICYEW-CHWSQXEVSA-N 2 2 235.375 2.000 20 30 BEEDLP CC1(C)CC[N@@H+](CC[NH2+][C@@H]2CC[C@@H](C#N)C2)C1 ZINC000898034095 584078249 /nfs/dbraw/zinc/07/82/49/584078249.db2.gz HYMKLUFESICYEW-CHWSQXEVSA-N 2 2 235.375 2.000 20 30 BEEDLP C[C@@H]([NH2+][C@@H]1C[NH2+]CC1(C)C)c1ccc(C#N)cc1 ZINC000902450811 584607043 /nfs/dbraw/zinc/60/70/43/584607043.db2.gz UMMJZCFMDCTYGV-BXUZGUMPSA-N 2 2 243.354 2.207 20 30 BEEDLP C=CC[C@H](C)[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@H]1C ZINC000903302057 584744520 /nfs/dbraw/zinc/74/45/20/584744520.db2.gz YFBJIZHPRFJJKC-CYDGBPFRSA-N 2 2 210.365 2.269 20 30 BEEDLP C=CC[C@H](C)[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@H]1C ZINC000903302057 584744521 /nfs/dbraw/zinc/74/45/21/584744521.db2.gz YFBJIZHPRFJJKC-CYDGBPFRSA-N 2 2 210.365 2.269 20 30 BEEDLP C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000903301307 584744637 /nfs/dbraw/zinc/74/46/37/584744637.db2.gz QCIZJDQDKPMWEQ-YIYPIFLZSA-N 2 2 222.376 2.413 20 30 BEEDLP C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000903301307 584744639 /nfs/dbraw/zinc/74/46/39/584744639.db2.gz QCIZJDQDKPMWEQ-YIYPIFLZSA-N 2 2 222.376 2.413 20 30 BEEDLP C=CCC[C@H](CC)[NH2+][C@@H]1CC[N@H+](C)[C@@H]1C ZINC000903300943 584744963 /nfs/dbraw/zinc/74/49/63/584744963.db2.gz LFWLYZXQOHGNMF-FRRDWIJNSA-N 2 2 210.365 2.413 20 30 BEEDLP C=CCC[C@H](CC)[NH2+][C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000903300943 584744965 /nfs/dbraw/zinc/74/49/65/584744965.db2.gz LFWLYZXQOHGNMF-FRRDWIJNSA-N 2 2 210.365 2.413 20 30 BEEDLP C#CCCC[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000766924344 585511798 /nfs/dbraw/zinc/51/17/98/585511798.db2.gz SOTPHKMGDQCTKX-UHFFFAOYSA-N 2 2 217.316 2.003 20 30 BEEDLP CCC#C[C@@H](C)[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000770025361 585569873 /nfs/dbraw/zinc/56/98/73/585569873.db2.gz LWRAWPRGAQRHOV-KGLIPLIRSA-N 2 2 245.370 2.401 20 30 BEEDLP CCC#C[C@@H](C)[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000770025361 585569874 /nfs/dbraw/zinc/56/98/74/585569874.db2.gz LWRAWPRGAQRHOV-KGLIPLIRSA-N 2 2 245.370 2.401 20 30 BEEDLP C#CC[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@H]1C)c1ccccc1 ZINC000773108395 585631598 /nfs/dbraw/zinc/63/15/98/585631598.db2.gz XQBBIIJGFULZTK-KBMXLJTQSA-N 2 2 242.366 2.291 20 30 BEEDLP C#CC[C@H]([NH2+][C@H]1C[N@H+](C)C[C@H]1C)c1ccccc1 ZINC000773108395 585631599 /nfs/dbraw/zinc/63/15/99/585631599.db2.gz XQBBIIJGFULZTK-KBMXLJTQSA-N 2 2 242.366 2.291 20 30 BEEDLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000774212450 585654032 /nfs/dbraw/zinc/65/40/32/585654032.db2.gz XHBCKEHRWNOTEI-MCIONIFRSA-N 2 2 235.375 2.143 20 30 BEEDLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000774212450 585654033 /nfs/dbraw/zinc/65/40/33/585654033.db2.gz XHBCKEHRWNOTEI-MCIONIFRSA-N 2 2 235.375 2.143 20 30 BEEDLP C#CCSCC[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000792994028 586008078 /nfs/dbraw/zinc/00/80/78/586008078.db2.gz ZYNSPOCEOQLRDV-UHFFFAOYSA-N 2 2 248.395 2.279 20 30 BEEDLP C#C[C@@H](C)[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000809683302 586511482 /nfs/dbraw/zinc/51/14/82/586511482.db2.gz YHMPGTMIULUFOR-SNVBAGLBSA-N 2 2 248.292 2.015 20 30 BEEDLP C=CC[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1ccncc1 ZINC000817895298 586834810 /nfs/dbraw/zinc/83/48/10/586834810.db2.gz XQOFMNBQAMKYLR-AEGPPILISA-N 2 2 245.370 2.429 20 30 BEEDLP C#CC[C@@H]1CC[N@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000862444638 589214432 /nfs/dbraw/zinc/21/44/32/589214432.db2.gz DUTFLIAPCOASQR-CYBMUJFWSA-N 2 2 239.322 2.180 20 30 BEEDLP C#CC[C@@H]1CC[N@@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000862444638 589214434 /nfs/dbraw/zinc/21/44/34/589214434.db2.gz DUTFLIAPCOASQR-CYBMUJFWSA-N 2 2 239.322 2.180 20 30 BEEDLP C#CC[C@H]1CC[N@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000862444639 589214584 /nfs/dbraw/zinc/21/45/84/589214584.db2.gz DUTFLIAPCOASQR-ZDUSSCGKSA-N 2 2 239.322 2.180 20 30 BEEDLP C#CC[C@H]1CC[N@@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000862444639 589214585 /nfs/dbraw/zinc/21/45/85/589214585.db2.gz DUTFLIAPCOASQR-ZDUSSCGKSA-N 2 2 239.322 2.180 20 30 BEEDLP C=CCOc1cccc(C[N@@H+](C)C[C@@H](C)[NH3+])c1 ZINC000863654275 589308334 /nfs/dbraw/zinc/30/83/34/589308334.db2.gz VRLOXDYNJNTXKM-GFCCVEGCSA-N 2 2 234.343 2.030 20 30 BEEDLP C=CCOc1cccc(C[N@H+](C)C[C@@H](C)[NH3+])c1 ZINC000863654275 589308335 /nfs/dbraw/zinc/30/83/35/589308335.db2.gz VRLOXDYNJNTXKM-GFCCVEGCSA-N 2 2 234.343 2.030 20 30 BEEDLP C#CCCCCCC[NH2+]CC[NH+]1CCCC1 ZINC000877142035 590291769 /nfs/dbraw/zinc/29/17/69/590291769.db2.gz IFJJMCUXSXTMGL-UHFFFAOYSA-N 2 2 222.376 2.256 20 30 BEEDLP C[C@H]1CCC[N@@H+]1CC[NH2+]C1CCC(C#N)CC1 ZINC000877153401 590293039 /nfs/dbraw/zinc/29/30/39/590293039.db2.gz HVIXWQXAHGKCHC-HSBZDZAISA-N 2 2 235.375 2.143 20 30 BEEDLP C[C@H]1CCC[N@H+]1CC[NH2+]C1CCC(C#N)CC1 ZINC000877153401 590293040 /nfs/dbraw/zinc/29/30/40/590293040.db2.gz HVIXWQXAHGKCHC-HSBZDZAISA-N 2 2 235.375 2.143 20 30 BEEDLP C=C(CC)C[N@@H+]1CC[C@H]2[C@H]1CCC[NH+]2C ZINC000880136438 590937374 /nfs/dbraw/zinc/93/73/74/590937374.db2.gz LVOUMQPOHMOFCD-QWHCGFSZSA-N 2 2 208.349 2.121 20 30 BEEDLP C=C(CC)C[N@H+]1CC[C@H]2[C@H]1CCC[NH+]2C ZINC000880136438 590937377 /nfs/dbraw/zinc/93/73/77/590937377.db2.gz LVOUMQPOHMOFCD-QWHCGFSZSA-N 2 2 208.349 2.121 20 30 BEEDLP C=C(CC)C[NH+]1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000880136438 590937379 /nfs/dbraw/zinc/93/73/79/590937379.db2.gz LVOUMQPOHMOFCD-QWHCGFSZSA-N 2 2 208.349 2.121 20 30 BEEDLP C=C(CC)C[NH+]1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000880136438 590937382 /nfs/dbraw/zinc/93/73/82/590937382.db2.gz LVOUMQPOHMOFCD-QWHCGFSZSA-N 2 2 208.349 2.121 20 30 BEEDLP C=C(C)CC[NH+]1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000880136687 590940607 /nfs/dbraw/zinc/94/06/07/590940607.db2.gz QDLRGBLRLZMSOJ-OLZOCXBDSA-N 2 2 208.349 2.121 20 30 BEEDLP C=C(C)CC[NH+]1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000880136687 590940609 /nfs/dbraw/zinc/94/06/09/590940609.db2.gz QDLRGBLRLZMSOJ-OLZOCXBDSA-N 2 2 208.349 2.121 20 30 BEEDLP C=C(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC000880136687 590940611 /nfs/dbraw/zinc/94/06/11/590940611.db2.gz QDLRGBLRLZMSOJ-OLZOCXBDSA-N 2 2 208.349 2.121 20 30 BEEDLP C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC000880136687 590940613 /nfs/dbraw/zinc/94/06/13/590940613.db2.gz QDLRGBLRLZMSOJ-OLZOCXBDSA-N 2 2 208.349 2.121 20 30 BEEDLP C[C@@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1ccc(C#N)cc1 ZINC000335498477 631232526 /nfs/dbraw/zinc/23/25/26/631232526.db2.gz NMXFXTATHQIWQX-IUODEOHRSA-N 2 2 243.354 2.351 20 30 BEEDLP N#CCCCC[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000924943393 635795825 /nfs/dbraw/zinc/79/58/25/635795825.db2.gz USINAUMZTLCPDQ-ZIAGYGMSSA-N 2 2 235.375 2.287 20 30 BEEDLP N#CCCCC[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000924943393 635795832 /nfs/dbraw/zinc/79/58/32/635795832.db2.gz USINAUMZTLCPDQ-ZIAGYGMSSA-N 2 2 235.375 2.287 20 30 BEEDLP CC[C@@H](CC#N)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000054181950 636047857 /nfs/dbraw/zinc/04/78/57/636047857.db2.gz HKKCLILJUJVBLU-LBPRGKRZSA-N 2 2 223.364 2.141 20 30 BEEDLP CC[N@@H+]1CCC[C@@H]([NH2+][C@H](C)CC(C)(C)C#N)C1 ZINC000924746996 637071510 /nfs/dbraw/zinc/07/15/10/637071510.db2.gz HTNPNIGORMNSQT-CHWSQXEVSA-N 2 2 237.391 2.389 20 30 BEEDLP CC[N@H+]1CCC[C@@H]([NH2+][C@H](C)CC(C)(C)C#N)C1 ZINC000924746996 637071513 /nfs/dbraw/zinc/07/15/13/637071513.db2.gz HTNPNIGORMNSQT-CHWSQXEVSA-N 2 2 237.391 2.389 20 30 BEEDLP C=CC[NH+]1CCC([NH2+]C2CCCC2)CC1 ZINC000163927457 640430207 /nfs/dbraw/zinc/43/02/07/640430207.db2.gz DWCGDCBJFIYNIC-UHFFFAOYSA-N 2 2 208.349 2.169 20 30 BEEDLP C=CC[C@H]1CC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000625705133 644172895 /nfs/dbraw/zinc/17/28/95/644172895.db2.gz SHTROJQTWJBUFZ-ZDUSSCGKSA-N 2 2 219.332 2.171 20 30 BEEDLP C=CC[C@H]1CC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000625705133 644172902 /nfs/dbraw/zinc/17/29/02/644172902.db2.gz SHTROJQTWJBUFZ-ZDUSSCGKSA-N 2 2 219.332 2.171 20 30 BEEDLP C#CC[C@@H]1CCC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000829804566 645112107 /nfs/dbraw/zinc/11/21/07/645112107.db2.gz JDHHJDPQOUJHAU-CQSZACIVSA-N 2 2 231.343 2.009 20 30 BEEDLP C#CC[C@@H]1CCC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000829804566 645112111 /nfs/dbraw/zinc/11/21/11/645112111.db2.gz JDHHJDPQOUJHAU-CQSZACIVSA-N 2 2 231.343 2.009 20 30 BEEDLP C=C(Cl)C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000852749326 645487324 /nfs/dbraw/zinc/48/73/24/645487324.db2.gz KOKHFCOKECRXMR-NEPJUHHUSA-N 2 2 228.767 2.203 20 30 BEEDLP C=C(Cl)C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000852749326 645487331 /nfs/dbraw/zinc/48/73/31/645487331.db2.gz KOKHFCOKECRXMR-NEPJUHHUSA-N 2 2 228.767 2.203 20 30 BEEDLP C[C@H](CC(C)(C)C#N)[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000925013400 646157242 /nfs/dbraw/zinc/15/72/42/646157242.db2.gz VADVJFAGLWRSIL-OCCSQVGLSA-N 2 2 249.402 2.389 20 30 BEEDLP C[C@H](CC(C)(C)C#N)[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000925013400 646157245 /nfs/dbraw/zinc/15/72/45/646157245.db2.gz VADVJFAGLWRSIL-OCCSQVGLSA-N 2 2 249.402 2.389 20 30 BEEDLP C=C(C[NH2+][C@H]1CCC[NH2+][C@H]1C)c1ccccc1 ZINC000925636203 646380356 /nfs/dbraw/zinc/38/03/56/646380356.db2.gz RRDRDNAZQPXIKB-ZFWWWQNUSA-N 2 2 230.355 2.430 20 30 BEEDLP C[C@H](CC(C)(C)C#N)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000926449360 646641426 /nfs/dbraw/zinc/64/14/26/646641426.db2.gz FSEPTMPCYJNZOV-GHMZBOCLSA-N 2 2 246.358 2.185 20 30 BEEDLP CCCCCCC[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000703748986 711877074 /nfs/dbraw/zinc/87/70/74/711877074.db2.gz UBFHLLXEVKLZPH-UONOGXRCSA-N 2 2 242.407 2.313 20 30 BEEDLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CCC(C)(C)C#N ZINC000720351742 712832736 /nfs/dbraw/zinc/83/27/36/712832736.db2.gz FMZYAVTYDLXHHZ-QWHCGFSZSA-N 2 2 235.375 2.095 20 30 BEEDLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CCC(C)(C)C#N ZINC000720351742 712832738 /nfs/dbraw/zinc/83/27/38/712832738.db2.gz FMZYAVTYDLXHHZ-QWHCGFSZSA-N 2 2 235.375 2.095 20 30 BEEDLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCC(C)(C)C#N ZINC000720351742 712832740 /nfs/dbraw/zinc/83/27/40/712832740.db2.gz FMZYAVTYDLXHHZ-QWHCGFSZSA-N 2 2 235.375 2.095 20 30 BEEDLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2CCC(C)(C)C#N ZINC000720351742 712832742 /nfs/dbraw/zinc/83/27/42/712832742.db2.gz FMZYAVTYDLXHHZ-QWHCGFSZSA-N 2 2 235.375 2.095 20 30 BEEDLP CC[C@H](CC#N)[NH2+][C@@H](C)CC[NH+](CC)CC ZINC001255946526 970584837 /nfs/dbraw/zinc/58/48/37/970584837.db2.gz AQLUZZFJYMRFNF-QWHCGFSZSA-N 2 2 225.380 2.389 20 30 BEEDLP C=CCOC1CCC([NH2+][C@@H](C)C[NH+](C)C)CC1 ZINC001173311828 975222268 /nfs/dbraw/zinc/22/22/68/975222268.db2.gz QEBSDVJRZRZOMJ-HSBZDZAISA-N 2 2 240.391 2.040 20 30 BEEDLP C#CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000307740099 1167158583 /nfs/dbraw/zinc/15/85/83/1167158583.db2.gz MQJBEZAJDBHIRA-HOCLYGCPSA-N 2 2 242.366 2.262 20 30 BEEDLP C#CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000307740099 1167158589 /nfs/dbraw/zinc/15/85/89/1167158589.db2.gz MQJBEZAJDBHIRA-HOCLYGCPSA-N 2 2 242.366 2.262 20 30 BEEDLP C#CCCC[N@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001209268167 957374240 /nfs/dbraw/zinc/37/42/40/957374240.db2.gz VVTPEQPHNRZMGC-AWEZNQCLSA-N 2 2 244.338 2.257 20 30 BEEDLP C#CCCC[N@@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001209268167 957374251 /nfs/dbraw/zinc/37/42/51/957374251.db2.gz VVTPEQPHNRZMGC-AWEZNQCLSA-N 2 2 244.338 2.257 20 30 BEEDLP C=CC[N@@H+](C)Cc1cccc(-n2cc[nH+]c2)c1 ZINC001141243129 961017758 /nfs/dbraw/zinc/01/77/58/961017758.db2.gz WSPCFXWGYWPVTP-UHFFFAOYSA-N 2 2 227.311 2.490 20 30 BEEDLP C=CC[N@H+](C)Cc1cccc(-n2cc[nH+]c2)c1 ZINC001141243129 961017779 /nfs/dbraw/zinc/01/77/79/961017779.db2.gz WSPCFXWGYWPVTP-UHFFFAOYSA-N 2 2 227.311 2.490 20 30 BEEDLP CC[NH+](CC)CCC[C@@H](C)[N@@H+](C)[C@@H](C)C#N ZINC001167842014 961235569 /nfs/dbraw/zinc/23/55/69/961235569.db2.gz VSSOFRAODZZGOZ-OLZOCXBDSA-N 2 2 225.380 2.341 20 30 BEEDLP CC[NH+](CC)CCC[C@@H](C)[N@H+](C)[C@@H](C)C#N ZINC001167842014 961235545 /nfs/dbraw/zinc/23/55/45/961235545.db2.gz VSSOFRAODZZGOZ-OLZOCXBDSA-N 2 2 225.380 2.341 20 30 BEEDLP C[C@@H]([NH3+])CCNc1[nH+]ccc2ccc(C#N)cc21 ZINC001159774537 964191682 /nfs/dbraw/zinc/19/16/82/964191682.db2.gz BNOJHQCRFUEFCA-SNVBAGLBSA-N 2 2 240.310 2.256 20 30 BEEDLP CCc1cc(C#N)ccc1C[N@@H+](C)C[C@@H]([NH3+])CC ZINC001236884184 966606473 /nfs/dbraw/zinc/60/64/73/966606473.db2.gz NKJFNPBTIAFZRV-HNNXBMFYSA-N 2 2 245.370 2.290 20 30 BEEDLP CCc1cc(C#N)ccc1C[N@H+](C)C[C@@H]([NH3+])CC ZINC001236884184 966606486 /nfs/dbraw/zinc/60/64/86/966606486.db2.gz NKJFNPBTIAFZRV-HNNXBMFYSA-N 2 2 245.370 2.290 20 30 BEEDLP C=CCCCC[NH+]1C[C@H]2[C@H](C1)CCC[N@H+]2C ZINC001209207021 969392934 /nfs/dbraw/zinc/39/29/34/969392934.db2.gz ICLLASAOXYVFBT-KBPBESRZSA-N 2 2 222.376 2.369 20 30 BEEDLP C=CCCCC[NH+]1C[C@H]2[C@H](C1)CCC[N@@H+]2C ZINC001209207021 969392938 /nfs/dbraw/zinc/39/29/38/969392938.db2.gz ICLLASAOXYVFBT-KBPBESRZSA-N 2 2 222.376 2.369 20 30 BEEDLP C=CCCCC[N@@H+]1C[C@H]2[C@H](C1)CCC[NH+]2C ZINC001209207021 969392943 /nfs/dbraw/zinc/39/29/43/969392943.db2.gz ICLLASAOXYVFBT-KBPBESRZSA-N 2 2 222.376 2.369 20 30 BEEDLP C=CCCCC[N@H+]1C[C@H]2[C@H](C1)CCC[NH+]2C ZINC001209207021 969392946 /nfs/dbraw/zinc/39/29/46/969392946.db2.gz ICLLASAOXYVFBT-KBPBESRZSA-N 2 2 222.376 2.369 20 30 BEEDLP C#CC1([NH2+]C2CC[NH+](C)CC2)CCCCC1 ZINC001256201541 970693436 /nfs/dbraw/zinc/69/34/36/970693436.db2.gz LJMSQGUJJCHWJR-UHFFFAOYSA-N 2 2 220.360 2.006 20 30 BEEDLP C=CCOC1CCC(n2cc[nH+]c2CC[NH3+])CC1 ZINC001173313503 975224796 /nfs/dbraw/zinc/22/47/96/975224796.db2.gz YVPMUJUPPTTZEO-UHFFFAOYSA-N 2 2 249.358 2.071 20 30 BEEDLP C=CCCCCC[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001235038033 978959342 /nfs/dbraw/zinc/95/93/42/978959342.db2.gz LMWCEYTVGXDRSQ-QWHCGFSZSA-N 2 2 208.349 2.169 20 30 BEEDLP C=CCCCCC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001235038033 978959346 /nfs/dbraw/zinc/95/93/46/978959346.db2.gz LMWCEYTVGXDRSQ-QWHCGFSZSA-N 2 2 208.349 2.169 20 30 BEEDLP C=CCC[N@@H+](CC[NH2+]C)Cc1ccccc1 ZINC001235702609 979127838 /nfs/dbraw/zinc/12/78/38/979127838.db2.gz NCZCKGUHDMQCKZ-UHFFFAOYSA-N 2 2 218.344 2.284 20 30 BEEDLP C=CCC[N@H+](CC[NH2+]C)Cc1ccccc1 ZINC001235702609 979127843 /nfs/dbraw/zinc/12/78/43/979127843.db2.gz NCZCKGUHDMQCKZ-UHFFFAOYSA-N 2 2 218.344 2.284 20 30 BEEDLP C#Cc1cccc(C[N@@H+](C)[C@]2(C)CCC[NH2+]C2)c1 ZINC001236207013 979448339 /nfs/dbraw/zinc/44/83/39/979448339.db2.gz MXYNZAFVOJQRCH-MRXNPFEDSA-N 2 2 242.366 2.242 20 30 BEEDLP C#Cc1cccc(C[N@H+](C)[C@]2(C)CCC[NH2+]C2)c1 ZINC001236207013 979448342 /nfs/dbraw/zinc/44/83/42/979448342.db2.gz MXYNZAFVOJQRCH-MRXNPFEDSA-N 2 2 242.366 2.242 20 30 BEEDLP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](Cc2ccc(C#N)cc2)C1 ZINC001205805495 982567595 /nfs/dbraw/zinc/56/75/95/982567595.db2.gz QPHYFGGYLKYZTJ-DOMZBBRYSA-N 2 2 243.354 2.117 20 30 BEEDLP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001205805495 982567615 /nfs/dbraw/zinc/56/76/15/982567615.db2.gz QPHYFGGYLKYZTJ-DOMZBBRYSA-N 2 2 243.354 2.117 20 30 BEEDLP CCCCCCCC[C@H](O)C[N@@H+]1CC[C@@H]([NH3+])C1 ZINC001246070911 987357553 /nfs/dbraw/zinc/35/75/53/987357553.db2.gz OVKGSXSRDBZCMU-KGLIPLIRSA-N 2 2 242.407 2.131 20 30 BEEDLP CCCCCCCC[C@H](O)C[N@H+]1CC[C@@H]([NH3+])C1 ZINC001246070911 987357561 /nfs/dbraw/zinc/35/75/61/987357561.db2.gz OVKGSXSRDBZCMU-KGLIPLIRSA-N 2 2 242.407 2.131 20 30 BEEDLP CCCCCCC[C@@H](C)[NH2+]C[C@H]1C[NH2+]CCO1 ZINC001246086097 987385089 /nfs/dbraw/zinc/38/50/89/987385089.db2.gz BUCGLLFTIGDLAZ-ZIAGYGMSSA-N 2 2 242.407 2.313 20 30 BEEDLP C[C@@H]([NH2+][C@H]1CC[C@H](C)[NH2+]C1)c1ccc(C#N)cc1 ZINC001246090429 987393517 /nfs/dbraw/zinc/39/35/17/987393517.db2.gz XKMCGMNPTGPHCU-ZOWXZIJZSA-N 2 2 243.354 2.349 20 30 BEEDLP CCCCCCC[C@H](CC)[NH2+][C@H]1C[NH2+]C[C@@H]1O ZINC001246098691 987411854 /nfs/dbraw/zinc/41/18/54/987411854.db2.gz CYNSVVYRHZHPII-IHRRRGAJSA-N 2 2 242.407 2.048 20 30 BEEDLP CCCCCCC[C@@H](C)[NH2+][C@H]1C[NH2+]C[C@@H]1OC ZINC001246240905 987641940 /nfs/dbraw/zinc/64/19/40/987641940.db2.gz SBWLYCLRPXZSTR-RDBSUJKOSA-N 2 2 242.407 2.312 20 30 BEEDLP C=CCC[C@@H](C)n1c[nH+]c(C)c1CC[NH3+] ZINC001258716738 991631868 /nfs/dbraw/zinc/63/18/68/991631868.db2.gz BNXNLCBYDKFOBD-SNVBAGLBSA-N 2 2 207.321 2.220 20 30 BEEDLP C=CCC[C@H](C)[N@@H+]1CCn2c(C)[nH+]cc2C1 ZINC001258729658 991672827 /nfs/dbraw/zinc/67/28/27/991672827.db2.gz WRTXBTAHFZRWFE-NSHDSACASA-N 2 2 219.332 2.362 20 30 BEEDLP C=CCC[C@H](C)[N@H+]1CCn2c(C)[nH+]cc2C1 ZINC001258729658 991672836 /nfs/dbraw/zinc/67/28/36/991672836.db2.gz WRTXBTAHFZRWFE-NSHDSACASA-N 2 2 219.332 2.362 20 30 BEEDLP C=CCC[C@H](C)[N@@H+]1C[C@H]2CCC[NH+](C)[C@H]2C1 ZINC001258733458 991681816 /nfs/dbraw/zinc/68/18/16/991681816.db2.gz GJNLCQDZNKHRRS-MJBXVCDLSA-N 2 2 222.376 2.367 20 30 BEEDLP C=CCC[C@H](C)[N@H+]1C[C@H]2CCC[NH+](C)[C@H]2C1 ZINC001258733458 991681822 /nfs/dbraw/zinc/68/18/22/991681822.db2.gz GJNLCQDZNKHRRS-MJBXVCDLSA-N 2 2 222.376 2.367 20 30 BEEDLP C=CCC[C@H](C)[NH+]1C[C@H]2CCC[N@H+](C)[C@H]2C1 ZINC001258733458 991681824 /nfs/dbraw/zinc/68/18/24/991681824.db2.gz GJNLCQDZNKHRRS-MJBXVCDLSA-N 2 2 222.376 2.367 20 30 BEEDLP C=CCC[C@H](C)[NH+]1C[C@H]2CCC[N@@H+](C)[C@H]2C1 ZINC001258733458 991681828 /nfs/dbraw/zinc/68/18/28/991681828.db2.gz GJNLCQDZNKHRRS-MJBXVCDLSA-N 2 2 222.376 2.367 20 30 BEEDLP C[C@H](CCC#N)C[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C ZINC000602478376 349564490 /nfs/dbraw/zinc/56/44/90/349564490.db2.gz XOJFLTBWVOHNKP-MCIONIFRSA-N 2 2 235.375 2.095 20 30 BEEDLP C[C@H](CCC#N)C[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C ZINC000602478376 349564491 /nfs/dbraw/zinc/56/44/91/349564491.db2.gz XOJFLTBWVOHNKP-MCIONIFRSA-N 2 2 235.375 2.095 20 30 BEEDLP C[C@H](CCC#N)C[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000602478376 349564496 /nfs/dbraw/zinc/56/44/96/349564496.db2.gz XOJFLTBWVOHNKP-MCIONIFRSA-N 2 2 235.375 2.095 20 30 BEEDLP C[C@H](CCC#N)C[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000602478376 349564499 /nfs/dbraw/zinc/56/44/99/349564499.db2.gz XOJFLTBWVOHNKP-MCIONIFRSA-N 2 2 235.375 2.095 20 30 BEEDLP CC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@H](C)CCC#N ZINC000602506560 349582720 /nfs/dbraw/zinc/58/27/20/349582720.db2.gz DIUQECGNYHKALQ-CHWSQXEVSA-N 2 2 223.364 2.000 20 30 BEEDLP CC[N@H+]1CCC[C@@H]1C[NH2+]C[C@H](C)CCC#N ZINC000602506560 349582723 /nfs/dbraw/zinc/58/27/23/349582723.db2.gz DIUQECGNYHKALQ-CHWSQXEVSA-N 2 2 223.364 2.000 20 30 BEEDLP C[C@@H](CCC#N)C[NH2+]CC[N@@H+]1CCC[C@H](C)C1 ZINC000602514575 349587008 /nfs/dbraw/zinc/58/70/08/349587008.db2.gz LCCNYGGNDXNJQV-KBPBESRZSA-N 2 2 237.391 2.248 20 30 BEEDLP C[C@@H](CCC#N)C[NH2+]CC[N@H+]1CCC[C@H](C)C1 ZINC000602514575 349587012 /nfs/dbraw/zinc/58/70/12/349587012.db2.gz LCCNYGGNDXNJQV-KBPBESRZSA-N 2 2 237.391 2.248 20 30 BEEDLP N#CC1CCC([NH2+]CCCCn2cc[nH+]c2)CC1 ZINC000602519317 349574214 /nfs/dbraw/zinc/57/42/14/349574214.db2.gz XSDCVTVJWWWEMX-UHFFFAOYSA-N 2 2 246.358 2.335 20 30 BEEDLP C[C@H]1CC[N@H+](CC[NH2+]C2CCC(C#N)CC2)C1 ZINC000602594314 349611703 /nfs/dbraw/zinc/61/17/03/349611703.db2.gz RYNYFOLADWMOEY-HSBZDZAISA-N 2 2 235.375 2.000 20 30 BEEDLP C[C@H]1CC[N@@H+](CC[NH2+]C2CCC(C#N)CC2)C1 ZINC000602594314 349611706 /nfs/dbraw/zinc/61/17/06/349611706.db2.gz RYNYFOLADWMOEY-HSBZDZAISA-N 2 2 235.375 2.000 20 30 BEEDLP C[C@H](CCC#N)C[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000602565624 349617555 /nfs/dbraw/zinc/61/75/55/349617555.db2.gz QNINPTMXVHWRSU-OCCSQVGLSA-N 2 2 235.375 2.000 20 30 BEEDLP C[C@H](CCC#N)C[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000602565624 349617557 /nfs/dbraw/zinc/61/75/57/349617557.db2.gz QNINPTMXVHWRSU-OCCSQVGLSA-N 2 2 235.375 2.000 20 30 BEEDLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C1CCC(C#N)CC1 ZINC000602568720 349620163 /nfs/dbraw/zinc/62/01/63/349620163.db2.gz LFNKMZRLTQUZIH-LFUGVXIPSA-N 2 2 247.386 2.141 20 30 BEEDLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C1CCC(C#N)CC1 ZINC000602568720 349620165 /nfs/dbraw/zinc/62/01/65/349620165.db2.gz LFNKMZRLTQUZIH-LFUGVXIPSA-N 2 2 247.386 2.141 20 30 BEEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C1CCC(C#N)CC1 ZINC000602568721 349620236 /nfs/dbraw/zinc/62/02/36/349620236.db2.gz LFNKMZRLTQUZIH-LPXQKFACSA-N 2 2 247.386 2.141 20 30 BEEDLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C1CCC(C#N)CC1 ZINC000602568721 349620238 /nfs/dbraw/zinc/62/02/38/349620238.db2.gz LFNKMZRLTQUZIH-LPXQKFACSA-N 2 2 247.386 2.141 20 30 BEEDLP C=CCC[C@H](CC)[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000379974305 538983448 /nfs/dbraw/zinc/98/34/48/538983448.db2.gz CSKBHAAFNMUIFU-QWHCGFSZSA-N 2 2 210.365 2.415 20 30 BEEDLP C=CCC[C@H](CC)[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000379974305 538983449 /nfs/dbraw/zinc/98/34/49/538983449.db2.gz CSKBHAAFNMUIFU-QWHCGFSZSA-N 2 2 210.365 2.415 20 30 BEEDLP C[NH+](C)C1(C[NH2+]C2CCC(C#N)CC2)CCC1 ZINC000602631558 349648433 /nfs/dbraw/zinc/64/84/33/349648433.db2.gz ZAQYHAYWQLOKBO-UHFFFAOYSA-N 2 2 235.375 2.143 20 30 BEEDLP C[C@@H](CCC#N)C[NH2+]C1(C[NH+](C)C)CCC1 ZINC000602647107 349657987 /nfs/dbraw/zinc/65/79/87/349657987.db2.gz FXCKRCOFELECII-LBPRGKRZSA-N 2 2 223.364 2.000 20 30 BEEDLP C=CCCC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000117882086 358452271 /nfs/dbraw/zinc/45/22/71/358452271.db2.gz CHKULSNNDWNALN-UHFFFAOYSA-N 2 2 219.332 2.486 20 30 BEEDLP C=C[C@H]1CCCC[N@H+]1Cc1c[nH+]c(C)n1C ZINC000668078900 488199176 /nfs/dbraw/zinc/19/91/76/488199176.db2.gz WZEBSNVUBRPUFH-LBPRGKRZSA-N 2 2 219.332 2.269 20 30 BEEDLP C=C[C@H]1CCCC[N@@H+]1Cc1c[nH+]c(C)n1C ZINC000668078900 488199178 /nfs/dbraw/zinc/19/91/78/488199178.db2.gz WZEBSNVUBRPUFH-LBPRGKRZSA-N 2 2 219.332 2.269 20 30 BEEDLP C=CCC[C@H]([NH2+]C[C@H](C)[NH+](C)C)C1CC1 ZINC000125320199 136271451 /nfs/dbraw/zinc/27/14/51/136271451.db2.gz NKVIEMSTHUGOFH-AAEUAGOBSA-N 2 2 210.365 2.271 20 30 BEEDLP C[N@H+](CCC[NH+]1CCCCC1)[C@@H]1CCC[C@H]1C#N ZINC000602979582 349844227 /nfs/dbraw/zinc/84/42/27/349844227.db2.gz GCGRQPMOHSDNOW-LSDHHAIUSA-N 2 2 249.402 2.486 20 30 BEEDLP C[N@@H+](CCC[NH+]1CCCCC1)[C@@H]1CCC[C@H]1C#N ZINC000602979582 349844230 /nfs/dbraw/zinc/84/42/30/349844230.db2.gz GCGRQPMOHSDNOW-LSDHHAIUSA-N 2 2 249.402 2.486 20 30 BEEDLP CC[NH+](CC)CCC[N@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602980556 349846636 /nfs/dbraw/zinc/84/66/36/349846636.db2.gz RGICQDNUFRFGPY-ZIAGYGMSSA-N 2 2 237.391 2.342 20 30 BEEDLP CC[NH+](CC)CCC[N@@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602980556 349846639 /nfs/dbraw/zinc/84/66/39/349846639.db2.gz RGICQDNUFRFGPY-ZIAGYGMSSA-N 2 2 237.391 2.342 20 30 BEEDLP C=CC[NH+]1CCC([NH2+][C@H]2CC[C@@H]2C2CC2)CC1 ZINC000348104949 537838614 /nfs/dbraw/zinc/83/86/14/537838614.db2.gz FJIGHEKYINQZIN-CABCVRRESA-N 2 2 234.387 2.415 20 30 BEEDLP C=C(C)CC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000387514230 344554274 /nfs/dbraw/zinc/55/42/74/344554274.db2.gz ZCIBLFFNZKMHQE-VXGBXAGGSA-N 2 2 208.349 2.167 20 30 BEEDLP C=C(C)CC[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000387514230 344554276 /nfs/dbraw/zinc/55/42/76/344554276.db2.gz ZCIBLFFNZKMHQE-VXGBXAGGSA-N 2 2 208.349 2.167 20 30 BEEDLP C=CC[N@H+](Cc1ccccc1)C[C@@H](C)[NH3+] ZINC000238422937 345046396 /nfs/dbraw/zinc/04/63/96/345046396.db2.gz MDMJBVYPXBXNON-GFCCVEGCSA-N 2 2 204.317 2.022 20 30 BEEDLP C=CC[N@@H+](Cc1ccccc1)C[C@@H](C)[NH3+] ZINC000238422937 345046398 /nfs/dbraw/zinc/04/63/98/345046398.db2.gz MDMJBVYPXBXNON-GFCCVEGCSA-N 2 2 204.317 2.022 20 30 BEEDLP C[C@H]1CC[N@H+](CCCCC#N)C[C@@H]1n1cc[nH+]c1 ZINC000136088405 345475462 /nfs/dbraw/zinc/47/54/62/345475462.db2.gz YLYOMJWMZUGPNS-KBPBESRZSA-N 2 2 246.358 2.460 20 30 BEEDLP C[C@H]1CC[N@@H+](CCCCC#N)C[C@@H]1n1cc[nH+]c1 ZINC000136088405 345475463 /nfs/dbraw/zinc/47/54/63/345475463.db2.gz YLYOMJWMZUGPNS-KBPBESRZSA-N 2 2 246.358 2.460 20 30 BEEDLP C[NH+](C)CCC[N@H+](C)Cc1ccc(C#N)s1 ZINC000580740532 346496912 /nfs/dbraw/zinc/49/69/12/346496912.db2.gz RWEVTQPQKKEKSG-UHFFFAOYSA-N 2 2 237.372 2.003 20 30 BEEDLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(C#N)s1 ZINC000580740532 346496914 /nfs/dbraw/zinc/49/69/14/346496914.db2.gz RWEVTQPQKKEKSG-UHFFFAOYSA-N 2 2 237.372 2.003 20 30 BEEDLP C=CC[C@H](C)[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000119841471 347308001 /nfs/dbraw/zinc/30/80/01/347308001.db2.gz SSXNMVCWYOMJEI-QJPTWQEYSA-N 2 2 208.349 2.166 20 30 BEEDLP C=CC[C@H](C)[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000119841471 347308004 /nfs/dbraw/zinc/30/80/04/347308004.db2.gz SSXNMVCWYOMJEI-QJPTWQEYSA-N 2 2 208.349 2.166 20 30 BEEDLP C=C(C)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591083287 347616005 /nfs/dbraw/zinc/61/60/05/347616005.db2.gz UJBWXICWIGDUPT-LBPRGKRZSA-N 2 2 205.305 2.096 20 30 BEEDLP C=C(C)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591083287 347616008 /nfs/dbraw/zinc/61/60/08/347616008.db2.gz UJBWXICWIGDUPT-LBPRGKRZSA-N 2 2 205.305 2.096 20 30 BEEDLP C[C@@H]([NH2+]CC[NH2+]C1CC1)c1ccc(C#N)c(F)c1 ZINC000591577270 347676705 /nfs/dbraw/zinc/67/67/05/347676705.db2.gz KVHXMGVJJYBTJJ-SNVBAGLBSA-N 2 2 247.317 2.100 20 30 BEEDLP C[C@H]([NH2+]Cc1cccc(C#N)c1)[C@@H]1CCCC[NH2+]1 ZINC000386088862 362939097 /nfs/dbraw/zinc/93/90/97/362939097.db2.gz HVCYWBRJGWURNB-WFASDCNBSA-N 2 2 243.354 2.178 20 30 BEEDLP C=CCC[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000070593289 350026291 /nfs/dbraw/zinc/02/62/91/350026291.db2.gz JVSNEWOIQGOUIK-QWHCGFSZSA-N 2 2 208.349 2.169 20 30 BEEDLP C=CCC[N@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000070593289 350026295 /nfs/dbraw/zinc/02/62/95/350026295.db2.gz JVSNEWOIQGOUIK-QWHCGFSZSA-N 2 2 208.349 2.169 20 30 BEEDLP C=CC[C@H](C)[C@H](C)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427868893 191097751 /nfs/dbraw/zinc/09/77/51/191097751.db2.gz BKEOWDZDWZKMLZ-AVGNSLFASA-N 2 2 233.359 2.388 20 30 BEEDLP C=CC[NH2+]CC[N@H+](Cc1ccccc1)C1CC1 ZINC000306874977 351268556 /nfs/dbraw/zinc/26/85/56/351268556.db2.gz FMDCUEQWHGBAII-UHFFFAOYSA-N 2 2 230.355 2.427 20 30 BEEDLP C=CC[NH2+]CC[N@@H+](Cc1ccccc1)C1CC1 ZINC000306874977 351268560 /nfs/dbraw/zinc/26/85/60/351268560.db2.gz FMDCUEQWHGBAII-UHFFFAOYSA-N 2 2 230.355 2.427 20 30 BEEDLP C[C@@H](CCC#N)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000276322498 351615556 /nfs/dbraw/zinc/61/55/56/351615556.db2.gz OZAUQRCUXFUVCA-NSHDSACASA-N 2 2 232.331 2.281 20 30 BEEDLP C[C@@H]([NH2+]CCC#N)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411519123 191191340 /nfs/dbraw/zinc/19/13/40/191191340.db2.gz REPVMDJTWICKMB-CHWSQXEVSA-N 2 2 235.375 2.143 20 30 BEEDLP C[C@@H]([NH2+]CCC#N)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000411519123 191191343 /nfs/dbraw/zinc/19/13/43/191191343.db2.gz REPVMDJTWICKMB-CHWSQXEVSA-N 2 2 235.375 2.143 20 30 BEEDLP C=CCCC[C@H](C)[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000336751493 353060421 /nfs/dbraw/zinc/06/04/21/353060421.db2.gz GJSNIADKQZDSGP-AVGNSLFASA-N 2 2 210.365 2.271 20 30 BEEDLP C=CCCC[C@H](C)[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000336751493 353060423 /nfs/dbraw/zinc/06/04/23/353060423.db2.gz GJSNIADKQZDSGP-AVGNSLFASA-N 2 2 210.365 2.271 20 30 BEEDLP C=CCCC[N@@H+](C)CCCn1cc[nH+]c1 ZINC000181093119 353419983 /nfs/dbraw/zinc/41/99/83/353419983.db2.gz STJBQFXMNDSNAB-UHFFFAOYSA-N 2 2 207.321 2.171 20 30 BEEDLP C=CCCC[N@H+](C)CCCn1cc[nH+]c1 ZINC000181093119 353419986 /nfs/dbraw/zinc/41/99/86/353419986.db2.gz STJBQFXMNDSNAB-UHFFFAOYSA-N 2 2 207.321 2.171 20 30 BEEDLP CC[N@@H+]1CC[C@@H]([NH+](C)CC2(C#N)CC2)C[C@@H]1C ZINC000343316750 353650208 /nfs/dbraw/zinc/65/02/08/353650208.db2.gz SZPKOPFRJUHUSE-QWHCGFSZSA-N 2 2 235.375 2.095 20 30 BEEDLP CC[N@H+]1CC[C@@H]([NH+](C)CC2(C#N)CC2)C[C@@H]1C ZINC000343316750 353650209 /nfs/dbraw/zinc/65/02/09/353650209.db2.gz SZPKOPFRJUHUSE-QWHCGFSZSA-N 2 2 235.375 2.095 20 30 BEEDLP CC[NH+]1CC[C@@H]([N@H+](C)CC2(C#N)CC2)C[C@@H]1C ZINC000343316750 353650211 /nfs/dbraw/zinc/65/02/11/353650211.db2.gz SZPKOPFRJUHUSE-QWHCGFSZSA-N 2 2 235.375 2.095 20 30 BEEDLP CC[NH+]1CC[C@@H]([N@@H+](C)CC2(C#N)CC2)C[C@@H]1C ZINC000343316750 353650214 /nfs/dbraw/zinc/65/02/14/353650214.db2.gz SZPKOPFRJUHUSE-QWHCGFSZSA-N 2 2 235.375 2.095 20 30 BEEDLP C#CCC[N@H+]1CCC[C@@H]1CNc1cccc(C)[nH+]1 ZINC000366902665 354677409 /nfs/dbraw/zinc/67/74/09/354677409.db2.gz JYVCBOPVDVZFMX-CQSZACIVSA-N 2 2 243.354 2.290 20 30 BEEDLP C#CCC[N@@H+]1CCC[C@@H]1CNc1cccc(C)[nH+]1 ZINC000366902665 354677415 /nfs/dbraw/zinc/67/74/15/354677415.db2.gz JYVCBOPVDVZFMX-CQSZACIVSA-N 2 2 243.354 2.290 20 30 BEEDLP C[C@H](CCC#N)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000351472192 355997504 /nfs/dbraw/zinc/99/75/04/355997504.db2.gz OVMPPKNESARORX-MGPQQGTHSA-N 2 2 246.358 2.458 20 30 BEEDLP C[C@H](CCC#N)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000351472192 355997506 /nfs/dbraw/zinc/99/75/06/355997506.db2.gz OVMPPKNESARORX-MGPQQGTHSA-N 2 2 246.358 2.458 20 30 BEEDLP CC[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccc(C#N)cc1 ZINC000423179461 192611926 /nfs/dbraw/zinc/61/19/26/192611926.db2.gz DJSZOOSBYHPWSM-HUUCEWRRSA-N 2 2 243.354 2.351 20 30 BEEDLP Cc1[nH+]ccn1CC[NH+]1CCC(CCC#N)CC1 ZINC000399297861 357902259 /nfs/dbraw/zinc/90/22/59/357902259.db2.gz SBKYEFONSQANHQ-UHFFFAOYSA-N 2 2 246.358 2.207 20 30 BEEDLP CC[N@H+](CCC[NH+]1CCCCC1)C[C@@H](C)C#N ZINC000124994932 358530395 /nfs/dbraw/zinc/53/03/95/358530395.db2.gz VUHPLMNNEKXVSY-AWEZNQCLSA-N 2 2 237.391 2.344 20 30 BEEDLP CC[N@@H+](CCC[NH+]1CCCCC1)C[C@@H](C)C#N ZINC000124994932 358530396 /nfs/dbraw/zinc/53/03/96/358530396.db2.gz VUHPLMNNEKXVSY-AWEZNQCLSA-N 2 2 237.391 2.344 20 30 BEEDLP N#CCCC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000134931051 358811194 /nfs/dbraw/zinc/81/11/94/358811194.db2.gz YCTWEEMYHMLKNT-ZFWWWQNUSA-N 2 2 247.386 2.239 20 30 BEEDLP N#CCCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000134931051 358811197 /nfs/dbraw/zinc/81/11/97/358811197.db2.gz YCTWEEMYHMLKNT-ZFWWWQNUSA-N 2 2 247.386 2.239 20 30 BEEDLP N#CCCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000134931051 358811201 /nfs/dbraw/zinc/81/12/01/358811201.db2.gz YCTWEEMYHMLKNT-ZFWWWQNUSA-N 2 2 247.386 2.239 20 30 BEEDLP N#CCCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000134931051 358811204 /nfs/dbraw/zinc/81/12/04/358811204.db2.gz YCTWEEMYHMLKNT-ZFWWWQNUSA-N 2 2 247.386 2.239 20 30 BEEDLP C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000308823524 491138503 /nfs/dbraw/zinc/13/85/03/491138503.db2.gz CUYOVIMWMHPNCK-RWMBFGLXSA-N 2 2 210.365 2.271 20 30 BEEDLP C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000308823524 491138504 /nfs/dbraw/zinc/13/85/04/491138504.db2.gz CUYOVIMWMHPNCK-RWMBFGLXSA-N 2 2 210.365 2.271 20 30 BEEDLP C=C(C)C[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247738938 359243190 /nfs/dbraw/zinc/24/31/90/359243190.db2.gz VVJWXLZKICLDPV-QWHCGFSZSA-N 2 2 219.332 2.342 20 30 BEEDLP C=C(C)C[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247738938 359243195 /nfs/dbraw/zinc/24/31/95/359243195.db2.gz VVJWXLZKICLDPV-QWHCGFSZSA-N 2 2 219.332 2.342 20 30 BEEDLP C[C@@H](CC[NH2+]CCC#N)[N@H+](C)Cc1ccccc1 ZINC000379657005 359577591 /nfs/dbraw/zinc/57/75/91/359577591.db2.gz REUWPBGBVFERSW-AWEZNQCLSA-N 2 2 245.370 2.400 20 30 BEEDLP C[C@@H](CC[NH2+]CCC#N)[N@@H+](C)Cc1ccccc1 ZINC000379657005 359577595 /nfs/dbraw/zinc/57/75/95/359577595.db2.gz REUWPBGBVFERSW-AWEZNQCLSA-N 2 2 245.370 2.400 20 30 BEEDLP CCC#C[C@@H](C)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001642120454 1172322906 /nfs/dbraw/zinc/32/29/06/1172322906.db2.gz NILZTSDOLXHCIM-OLZOCXBDSA-N 2 2 231.343 2.391 20 30 BEEDLP CCC#C[C@@H](C)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001642120454 1172322912 /nfs/dbraw/zinc/32/29/12/1172322912.db2.gz NILZTSDOLXHCIM-OLZOCXBDSA-N 2 2 231.343 2.391 20 30 BEEDLP C[C@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1cccc(C#N)c1 ZINC000600711241 369560048 /nfs/dbraw/zinc/56/00/48/369560048.db2.gz RXGWUBMHHWPHRI-TYNCELHUSA-N 2 2 243.354 2.349 20 30 BEEDLP C[C@@H](C[NH2+]CC(C)(C)CCC#N)Cn1cc[nH+]c1 ZINC000174318230 384774606 /nfs/dbraw/zinc/77/46/06/384774606.db2.gz BONOMZLVGYXTOX-ZDUSSCGKSA-N 2 2 248.374 2.439 20 30 BEEDLP CCCC[N@H+](C)CC[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000310037188 385104621 /nfs/dbraw/zinc/10/46/21/385104621.db2.gz UWQITPZNVSCYKK-CHWSQXEVSA-N 2 2 223.364 2.000 20 30 BEEDLP CCCC[N@@H+](C)CC[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000310037188 385104627 /nfs/dbraw/zinc/10/46/27/385104627.db2.gz UWQITPZNVSCYKK-CHWSQXEVSA-N 2 2 223.364 2.000 20 30 BEEDLP C=CCCC[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000308832352 385200274 /nfs/dbraw/zinc/20/02/74/385200274.db2.gz USTUYIQMWHWQFC-NEPJUHHUSA-N 2 2 208.349 2.167 20 30 BEEDLP C=CCCC[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000308832352 385200278 /nfs/dbraw/zinc/20/02/78/385200278.db2.gz USTUYIQMWHWQFC-NEPJUHHUSA-N 2 2 208.349 2.167 20 30 BEEDLP C=CC(C)(C)C[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000449487648 385229132 /nfs/dbraw/zinc/22/91/32/385229132.db2.gz ZUOCNWYMWOKMOX-AAEUAGOBSA-N 2 2 222.376 2.271 20 30 BEEDLP C=CC(C)(C)C[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000449487648 385229139 /nfs/dbraw/zinc/22/91/39/385229139.db2.gz ZUOCNWYMWOKMOX-AAEUAGOBSA-N 2 2 222.376 2.271 20 30 BEEDLP C=CCC[C@H](C)[NH2+][C@H]1CCC[N@H+](C)[C@H]1C ZINC000308920516 385292454 /nfs/dbraw/zinc/29/24/54/385292454.db2.gz CDOSMUIPLBRDBP-AVGNSLFASA-N 2 2 210.365 2.413 20 30 BEEDLP C=CCC[C@H](C)[NH2+][C@H]1CCC[N@@H+](C)[C@H]1C ZINC000308920516 385292458 /nfs/dbraw/zinc/29/24/58/385292458.db2.gz CDOSMUIPLBRDBP-AVGNSLFASA-N 2 2 210.365 2.413 20 30 BEEDLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1cccc(C#N)c1 ZINC000181580469 385515846 /nfs/dbraw/zinc/51/58/46/385515846.db2.gz HEYPRRKOYKHQQQ-DOMZBBRYSA-N 2 2 243.354 2.303 20 30 BEEDLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1cccc(C#N)c1 ZINC000181580469 385515847 /nfs/dbraw/zinc/51/58/47/385515847.db2.gz HEYPRRKOYKHQQQ-DOMZBBRYSA-N 2 2 243.354 2.303 20 30 BEEDLP C=CCC[C@@H]([NH2+]CC1([NH+](C)C)CC1)C1CC1 ZINC000417355476 386494220 /nfs/dbraw/zinc/49/42/20/386494220.db2.gz NSPLFLUUSSNTDV-CYBMUJFWSA-N 2 2 222.376 2.415 20 30 BEEDLP N#C[C@H]1CC[C@@H]([NH2+]CC[NH+]2CCCCCC2)C1 ZINC000442705565 386506169 /nfs/dbraw/zinc/50/61/69/386506169.db2.gz BRHGOQYPOCXOOU-UONOGXRCSA-N 2 2 235.375 2.144 20 30 BEEDLP N#C[C@@H]1CC[C@@H]([NH2+]CC[NH+]2CCCCCC2)C1 ZINC000442705566 386508146 /nfs/dbraw/zinc/50/81/46/386508146.db2.gz BRHGOQYPOCXOOU-ZIAGYGMSSA-N 2 2 235.375 2.144 20 30 BEEDLP C[C@@H]1CCCC[N@@H+]1CC[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000442712244 386530307 /nfs/dbraw/zinc/53/03/07/386530307.db2.gz UKKFIVQJMUDOSM-RDBSUJKOSA-N 2 2 235.375 2.143 20 30 BEEDLP C[C@@H]1CCCC[N@H+]1CC[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000442712244 386530314 /nfs/dbraw/zinc/53/03/14/386530314.db2.gz UKKFIVQJMUDOSM-RDBSUJKOSA-N 2 2 235.375 2.143 20 30 BEEDLP C[C@@H]1CCC[N@H+](CC[NH2+][C@H]2CC[C@H](C#N)C2)C1 ZINC000442710846 386523639 /nfs/dbraw/zinc/52/36/39/386523639.db2.gz QWOHZUQILDPFAJ-RDBSUJKOSA-N 2 2 235.375 2.000 20 30 BEEDLP C[C@@H]1CCC[N@@H+](CC[NH2+][C@H]2CC[C@H](C#N)C2)C1 ZINC000442710846 386523645 /nfs/dbraw/zinc/52/36/45/386523645.db2.gz QWOHZUQILDPFAJ-RDBSUJKOSA-N 2 2 235.375 2.000 20 30 BEEDLP C=C(C)CC[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000520604146 386703485 /nfs/dbraw/zinc/70/34/85/386703485.db2.gz MOJIOQUTVBTYAE-GFCCVEGCSA-N 2 2 219.332 2.176 20 30 BEEDLP C=C(C)CC[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000520604146 386703490 /nfs/dbraw/zinc/70/34/90/386703490.db2.gz MOJIOQUTVBTYAE-GFCCVEGCSA-N 2 2 219.332 2.176 20 30 BEEDLP C=C(C)CC[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000520604147 386704844 /nfs/dbraw/zinc/70/48/44/386704844.db2.gz MOJIOQUTVBTYAE-LBPRGKRZSA-N 2 2 219.332 2.176 20 30 BEEDLP C=C(C)CC[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000520604147 386704852 /nfs/dbraw/zinc/70/48/52/386704852.db2.gz MOJIOQUTVBTYAE-LBPRGKRZSA-N 2 2 219.332 2.176 20 30 BEEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CC(C)(C)CCC#N ZINC000344898436 386797212 /nfs/dbraw/zinc/79/72/12/386797212.db2.gz RFZBZLXGLRWMPN-OCCSQVGLSA-N 2 2 249.402 2.389 20 30 BEEDLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CC(C)(C)CCC#N ZINC000344898436 386797220 /nfs/dbraw/zinc/79/72/20/386797220.db2.gz RFZBZLXGLRWMPN-OCCSQVGLSA-N 2 2 249.402 2.389 20 30 BEEDLP N#C[C@H]1CCC[C@@H]([NH2+]CC[NH+]2CCCCC2)C1 ZINC000192641502 387045598 /nfs/dbraw/zinc/04/55/98/387045598.db2.gz XTPBNZLZJJJKMY-UONOGXRCSA-N 2 2 235.375 2.144 20 30 BEEDLP CC[C@@H](CC#N)[NH2+]CCC[NH+]1CCCCC1 ZINC000571940810 387207566 /nfs/dbraw/zinc/20/75/66/387207566.db2.gz SEMVFCKVZVYYFI-ZDUSSCGKSA-N 2 2 223.364 2.144 20 30 BEEDLP C=CCC[C@H]([NH2+][C@@H](C)C[NH3+])c1ccco1 ZINC000423360490 387213490 /nfs/dbraw/zinc/21/34/90/387213490.db2.gz FPYUEGDDCTYRAN-QWRGUYRKSA-N 2 2 208.305 2.224 20 30 BEEDLP C=CC(C)(C)CC[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000527734771 387683021 /nfs/dbraw/zinc/68/30/21/387683021.db2.gz JMEIYBBSZVFRRF-NWDGAFQWSA-N 2 2 210.365 2.128 20 30 BEEDLP C=CC(C)(C)CC[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000527734771 387683024 /nfs/dbraw/zinc/68/30/24/387683024.db2.gz JMEIYBBSZVFRRF-NWDGAFQWSA-N 2 2 210.365 2.128 20 30 BEEDLP CC(C)C[C@H](C[NH2+][C@@H]1CC[C@H](C#N)C1)[NH+](C)C ZINC000442711242 387826338 /nfs/dbraw/zinc/82/63/38/387826338.db2.gz DTIZFPHBACOCTK-BFHYXJOUSA-N 2 2 237.391 2.245 20 30 BEEDLP C[C@H](C[NH2+][C@H]1CC[C@H](C#N)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000442719235 387829339 /nfs/dbraw/zinc/82/93/39/387829339.db2.gz RHORJQGDCKWWNA-KBXIAJHMSA-N 2 2 249.402 2.389 20 30 BEEDLP C[C@H](C[NH2+][C@H]1CC[C@H](C#N)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000442719235 387829340 /nfs/dbraw/zinc/82/93/40/387829340.db2.gz RHORJQGDCKWWNA-KBXIAJHMSA-N 2 2 249.402 2.389 20 30 BEEDLP C=C[C@@H]1CCCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000489392645 388210880 /nfs/dbraw/zinc/21/08/80/388210880.db2.gz AVVRHTHVCWKMSF-CYBMUJFWSA-N 2 2 219.332 2.314 20 30 BEEDLP C=C[C@@H]1CCCC[N@H+]1CCCn1cc[nH+]c1 ZINC000489392645 388210882 /nfs/dbraw/zinc/21/08/82/388210882.db2.gz AVVRHTHVCWKMSF-CYBMUJFWSA-N 2 2 219.332 2.314 20 30 BEEDLP C#C[C@@H](C)[N@H+](C)CCCc1c[nH+]ccc1C ZINC000491618229 388305098 /nfs/dbraw/zinc/30/50/98/388305098.db2.gz CPHTWTSYZODPLI-CYBMUJFWSA-N 2 2 216.328 2.276 20 30 BEEDLP C#C[C@@H](C)[N@@H+](C)CCCc1c[nH+]ccc1C ZINC000491618229 388305099 /nfs/dbraw/zinc/30/50/99/388305099.db2.gz CPHTWTSYZODPLI-CYBMUJFWSA-N 2 2 216.328 2.276 20 30 BEEDLP CC[C@@H]([NH2+]Cc1cccc(C#N)c1)[C@@H]1CCC[NH2+]1 ZINC000422961155 388686606 /nfs/dbraw/zinc/68/66/06/388686606.db2.gz AUYPQKWDGIXUKU-CABCVRRESA-N 2 2 243.354 2.178 20 30 BEEDLP N#C[C@H]1CC[C@@H]([NH2+]Cc2c[nH+]c3n2CCCC3)C1 ZINC000551571078 388634516 /nfs/dbraw/zinc/63/45/16/388634516.db2.gz QAUMJUXXVWMAGY-NWDGAFQWSA-N 2 2 244.342 2.001 20 30 BEEDLP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000063191724 388660218 /nfs/dbraw/zinc/66/02/18/388660218.db2.gz XVRSTOJMUBGRSL-WFASDCNBSA-N 2 2 243.354 2.260 20 30 BEEDLP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1 ZINC000063191724 388660220 /nfs/dbraw/zinc/66/02/20/388660220.db2.gz XVRSTOJMUBGRSL-WFASDCNBSA-N 2 2 243.354 2.260 20 30 BEEDLP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1ccc(C#N)cc1 ZINC000422966484 388686753 /nfs/dbraw/zinc/68/67/53/388686753.db2.gz AGXBMTZYZMLCEQ-XUJVJEKNSA-N 2 2 243.354 2.349 20 30 BEEDLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2ccc(C#N)o2)CC1 ZINC000277392796 388746868 /nfs/dbraw/zinc/74/68/68/388746868.db2.gz HBWNHDBMLRRNQD-GFCCVEGCSA-N 2 2 247.342 2.067 20 30 BEEDLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccc(C#N)o2)CC1 ZINC000277392796 388746871 /nfs/dbraw/zinc/74/68/71/388746871.db2.gz HBWNHDBMLRRNQD-GFCCVEGCSA-N 2 2 247.342 2.067 20 30 BEEDLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1C)c1cccc(C#N)c1 ZINC000423358308 388691371 /nfs/dbraw/zinc/69/13/71/388691371.db2.gz JICDPUIJRGUCNU-SLEUVZQESA-N 2 2 243.354 2.207 20 30 BEEDLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1C)c1ccc(C#N)cc1 ZINC000423354644 388691386 /nfs/dbraw/zinc/69/13/86/388691386.db2.gz DDNXRTLKOBXOGG-SLEUVZQESA-N 2 2 243.354 2.207 20 30 BEEDLP C[C@@H]1CCC[N@H+](CC[NH2+][C@@H]2CCC[C@@H](C#N)C2)C1 ZINC000248838085 135022594 /nfs/dbraw/zinc/02/25/94/135022594.db2.gz NHQHCLHVXSGTRO-RBSFLKMASA-N 2 2 249.402 2.390 20 30 BEEDLP C[C@@H]1CCC[N@@H+](CC[NH2+][C@@H]2CCC[C@@H](C#N)C2)C1 ZINC000248838085 135022596 /nfs/dbraw/zinc/02/25/96/135022596.db2.gz NHQHCLHVXSGTRO-RBSFLKMASA-N 2 2 249.402 2.390 20 30 BEEDLP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000253201720 135124889 /nfs/dbraw/zinc/12/48/89/135124889.db2.gz YFGNXKWVUYFPSP-GXFFZTMASA-N 2 2 249.383 2.050 20 30 BEEDLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000253201720 135124890 /nfs/dbraw/zinc/12/48/90/135124890.db2.gz YFGNXKWVUYFPSP-GXFFZTMASA-N 2 2 249.383 2.050 20 30 BEEDLP N#CCCCC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000267464594 135154897 /nfs/dbraw/zinc/15/48/97/135154897.db2.gz WBFZMCNEHFWSIR-GFCCVEGCSA-N 2 2 232.331 2.283 20 30 BEEDLP N#CCCCC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000267464594 135154898 /nfs/dbraw/zinc/15/48/98/135154898.db2.gz WBFZMCNEHFWSIR-GFCCVEGCSA-N 2 2 232.331 2.283 20 30 BEEDLP C=C(C)CC[NH+]1CCN(c2c[nH+]ccc2C)CC1 ZINC000340597859 135198470 /nfs/dbraw/zinc/19/84/70/135198470.db2.gz UBFFZMFGQDKYHF-UHFFFAOYSA-N 2 2 245.370 2.478 20 30 BEEDLP C=CCOc1ccccc1C[N@@H+]1C[C@H]([NH3+])[C@@H](C)C1 ZINC000261988096 135269564 /nfs/dbraw/zinc/26/95/64/135269564.db2.gz JZPXYLJACUQCJU-JSGCOSHPSA-N 2 2 246.354 2.030 20 30 BEEDLP C=CCOc1ccccc1C[N@H+]1C[C@H]([NH3+])[C@@H](C)C1 ZINC000261988096 135269565 /nfs/dbraw/zinc/26/95/65/135269565.db2.gz JZPXYLJACUQCJU-JSGCOSHPSA-N 2 2 246.354 2.030 20 30 BEEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccccc1F ZINC000295090364 135378618 /nfs/dbraw/zinc/37/86/18/135378618.db2.gz UUYAPYMAJNTFJJ-CYBMUJFWSA-N 2 2 248.345 2.431 20 30 BEEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccccc1F ZINC000295090364 135378620 /nfs/dbraw/zinc/37/86/20/135378620.db2.gz UUYAPYMAJNTFJJ-CYBMUJFWSA-N 2 2 248.345 2.431 20 30 BEEDLP C=CCOCCC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000348042130 136028924 /nfs/dbraw/zinc/02/89/24/136028924.db2.gz YTVQVKHJUVKZSL-CYBMUJFWSA-N 2 2 249.358 2.182 20 30 BEEDLP C=CCOCCC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000348042130 136028925 /nfs/dbraw/zinc/02/89/25/136028925.db2.gz YTVQVKHJUVKZSL-CYBMUJFWSA-N 2 2 249.358 2.182 20 30 BEEDLP C=CCOCCC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000348050292 136030744 /nfs/dbraw/zinc/03/07/44/136030744.db2.gz LZCZOCKUEYQAPU-UHFFFAOYSA-N 2 2 249.358 2.113 20 30 BEEDLP C#C[C@H](C)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000491407379 398040394 /nfs/dbraw/zinc/04/03/94/398040394.db2.gz RBPHWOICCSIOPH-ZDUSSCGKSA-N 2 2 239.322 2.326 20 30 BEEDLP C#C[C@H](C)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000491407379 398040398 /nfs/dbraw/zinc/04/03/98/398040398.db2.gz RBPHWOICCSIOPH-ZDUSSCGKSA-N 2 2 239.322 2.326 20 30 BEEDLP C#C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)C(C)(C)C ZINC000491640588 398052223 /nfs/dbraw/zinc/05/22/23/398052223.db2.gz YZEHTAZECBSTBG-CQSZACIVSA-N 2 2 234.387 2.251 20 30 BEEDLP C#CCCC[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000271082716 166127554 /nfs/dbraw/zinc/12/75/54/166127554.db2.gz YRYRJDDDJWGXMC-UHFFFAOYSA-N 2 2 217.316 2.003 20 30 BEEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccccn2)CC1 ZINC000179470907 166353490 /nfs/dbraw/zinc/35/34/90/166353490.db2.gz XQKDZFVIEZNGMZ-CYBMUJFWSA-N 2 2 245.370 2.383 20 30 BEEDLP C=CCCCC[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657438029 411510542 /nfs/dbraw/zinc/51/05/42/411510542.db2.gz HNARXAQVNAGBMT-UHFFFAOYSA-N 2 2 219.332 2.275 20 30 BEEDLP C=CCC[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000657583848 411555130 /nfs/dbraw/zinc/55/51/30/411555130.db2.gz RJWMQSXJLJFWDK-UHFFFAOYSA-N 2 2 245.370 2.212 20 30 BEEDLP C[C@H]1C[C@@H]([NH2+]Cc2cccc(C#N)c2)CC[N@@H+]1C ZINC000090721812 177332015 /nfs/dbraw/zinc/33/20/15/177332015.db2.gz IEDMVCPJPGMGGU-WFASDCNBSA-N 2 2 243.354 2.131 20 30 BEEDLP C[C@H]1C[C@@H]([NH2+]Cc2cccc(C#N)c2)CC[N@H+]1C ZINC000090721812 177332016 /nfs/dbraw/zinc/33/20/16/177332016.db2.gz IEDMVCPJPGMGGU-WFASDCNBSA-N 2 2 243.354 2.131 20 30 BEEDLP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1ccc(C#N)cc1 ZINC000400325843 226340786 /nfs/dbraw/zinc/34/07/86/226340786.db2.gz AGXBMTZYZMLCEQ-SLEUVZQESA-N 2 2 243.354 2.349 20 30 BEEDLP C=C(C)CC[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000681402600 487792230 /nfs/dbraw/zinc/79/22/30/487792230.db2.gz OZFOFNRYQRSEBE-ZDUSSCGKSA-N 2 2 219.332 2.486 20 30 BEEDLP C=C(C)CC[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000681402600 487792232 /nfs/dbraw/zinc/79/22/32/487792232.db2.gz OZFOFNRYQRSEBE-ZDUSSCGKSA-N 2 2 219.332 2.486 20 30 BEEDLP C=CCCCCC[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000563638647 323133358 /nfs/dbraw/zinc/13/33/58/323133358.db2.gz RWIHDGZVGCABOB-OLZOCXBDSA-N 2 2 210.365 2.273 20 30 BEEDLP C=CCCCCC[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000563638647 323133359 /nfs/dbraw/zinc/13/33/59/323133359.db2.gz RWIHDGZVGCABOB-OLZOCXBDSA-N 2 2 210.365 2.273 20 30 BEEDLP C=CCC[C@@H](C)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000308893223 323181234 /nfs/dbraw/zinc/18/12/34/323181234.db2.gz YKNAULZOJXEKPU-CHWSQXEVSA-N 2 2 210.365 2.273 20 30 BEEDLP C=CCC[C@@H](C)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000308893223 323181235 /nfs/dbraw/zinc/18/12/35/323181235.db2.gz YKNAULZOJXEKPU-CHWSQXEVSA-N 2 2 210.365 2.273 20 30 BEEDLP C=CCC[C@@H]([NH2+]CC[NH+]1CCCC1)C1CC1 ZINC000125287126 324637496 /nfs/dbraw/zinc/63/74/96/324637496.db2.gz CYNCYDWLCLVESF-CQSZACIVSA-N 2 2 222.376 2.417 20 30 BEEDLP CC(C)(CCC#N)C[NH2+]CC[NH+]1CCCC1 ZINC000126633589 324707559 /nfs/dbraw/zinc/70/75/59/324707559.db2.gz VZEVXVWARQBYKI-UHFFFAOYSA-N 2 2 223.364 2.002 20 30 BEEDLP C=CCCCCC[NH2+][C@H]1CC[N@@H+](CCOC)C1 ZINC000568533980 326364217 /nfs/dbraw/zinc/36/42/17/326364217.db2.gz YSGMUGZVXLMZHJ-AWEZNQCLSA-N 2 2 240.391 2.043 20 30 BEEDLP C=CCCCCC[NH2+][C@H]1CC[N@H+](CCOC)C1 ZINC000568533980 326364219 /nfs/dbraw/zinc/36/42/19/326364219.db2.gz YSGMUGZVXLMZHJ-AWEZNQCLSA-N 2 2 240.391 2.043 20 30 BEEDLP C=CCCCCC[NH2+][C@@H]1CC[N@@H+](CCOC)C1 ZINC000568533983 326364418 /nfs/dbraw/zinc/36/44/18/326364418.db2.gz YSGMUGZVXLMZHJ-CQSZACIVSA-N 2 2 240.391 2.043 20 30 BEEDLP C=CCCCCC[NH2+][C@@H]1CC[N@H+](CCOC)C1 ZINC000568533983 326364421 /nfs/dbraw/zinc/36/44/21/326364421.db2.gz YSGMUGZVXLMZHJ-CQSZACIVSA-N 2 2 240.391 2.043 20 30 BEEDLP CC(C)C[C@@H](C[NH+](C)C)[NH2+]C[C@@H](C)CCC#N ZINC000602542083 487995011 /nfs/dbraw/zinc/99/50/11/487995011.db2.gz SMKCTPXRXJTBKC-KBPBESRZSA-N 2 2 239.407 2.492 20 30 BEEDLP C=CCC[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000161721894 487512125 /nfs/dbraw/zinc/51/21/25/487512125.db2.gz QACSVTUYVSBKRB-UHFFFAOYSA-N 2 2 231.343 2.216 20 30 BEEDLP CCC#C[C@H](C)[N@H+](C)CCCn1cc[nH+]c1 ZINC000678721769 488278439 /nfs/dbraw/zinc/27/84/39/488278439.db2.gz MSVPTMULGNLCKS-ZDUSSCGKSA-N 2 2 219.332 2.007 20 30 BEEDLP CCC#C[C@H](C)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000678721769 488278442 /nfs/dbraw/zinc/27/84/42/488278442.db2.gz MSVPTMULGNLCKS-ZDUSSCGKSA-N 2 2 219.332 2.007 20 30 BEEDLP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1ccc(C#N)cc1 ZINC000400325841 533973092 /nfs/dbraw/zinc/97/30/92/533973092.db2.gz AGXBMTZYZMLCEQ-HUBLWGQQSA-N 2 2 243.354 2.349 20 30 BEEDLP C=CC[C@H](CO)C[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000354588431 534395255 /nfs/dbraw/zinc/39/52/55/534395255.db2.gz WPWKWYXFWFMOBK-HNNXBMFYSA-N 2 2 248.370 2.097 20 30 BEEDLP C=CCOc1ccc(C[N@H+]2C[C@@H](C)[C@@H]([NH3+])C2)cc1 ZINC000261924585 534883436 /nfs/dbraw/zinc/88/34/36/534883436.db2.gz BZLLEHPOXCEUDU-DOMZBBRYSA-N 2 2 246.354 2.030 20 30 BEEDLP C=CCOc1ccc(C[N@@H+]2C[C@@H](C)[C@@H]([NH3+])C2)cc1 ZINC000261924585 534883438 /nfs/dbraw/zinc/88/34/38/534883438.db2.gz BZLLEHPOXCEUDU-DOMZBBRYSA-N 2 2 246.354 2.030 20 30 BEEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccoc2)CC1 ZINC000730020154 584043191 /nfs/dbraw/zinc/04/31/91/584043191.db2.gz YYRCAMDTGRPHMQ-UHFFFAOYSA-N 2 2 234.343 2.410 20 30 BEEDLP C[C@H](CCC#N)C[NH2+]CC[N@@H+]1CCC(C)(C)C1 ZINC000898033959 584078586 /nfs/dbraw/zinc/07/85/86/584078586.db2.gz FCYCSDLPYJTAKQ-CYBMUJFWSA-N 2 2 237.391 2.248 20 30 BEEDLP C[C@H](CCC#N)C[NH2+]CC[N@H+]1CCC(C)(C)C1 ZINC000898033959 584078587 /nfs/dbraw/zinc/07/85/87/584078587.db2.gz FCYCSDLPYJTAKQ-CYBMUJFWSA-N 2 2 237.391 2.248 20 30 BEEDLP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1ccc(C#N)cc1 ZINC000902474629 584601999 /nfs/dbraw/zinc/60/19/99/584601999.db2.gz GQCFSYJFSGHUAX-QPKOPYBWSA-N 2 2 241.338 2.102 20 30 BEEDLP Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000903454598 584773644 /nfs/dbraw/zinc/77/36/44/584773644.db2.gz DQCJVJMRNMDQFP-WFASDCNBSA-N 2 2 243.354 2.097 20 30 BEEDLP Cc1cc(C#N)cc(C)c1C[N@@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000903454598 584773646 /nfs/dbraw/zinc/77/36/46/584773646.db2.gz DQCJVJMRNMDQFP-WFASDCNBSA-N 2 2 243.354 2.097 20 30 BEEDLP C=CCCC[N@H+]1CCC[C@@H]2CC[C@]21C[NH3+] ZINC000903800105 584801369 /nfs/dbraw/zinc/80/13/69/584801369.db2.gz UJCXPYFWUOEZOJ-OLZOCXBDSA-N 2 2 208.349 2.156 20 30 BEEDLP C=CCCC[N@@H+]1CCC[C@@H]2CC[C@]21C[NH3+] ZINC000903800105 584801370 /nfs/dbraw/zinc/80/13/70/584801370.db2.gz UJCXPYFWUOEZOJ-OLZOCXBDSA-N 2 2 208.349 2.156 20 30 BEEDLP CCC#C[C@H](C)[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000770025351 585569805 /nfs/dbraw/zinc/56/98/05/585569805.db2.gz LWRAWPRGAQRHOV-KBPBESRZSA-N 2 2 245.370 2.401 20 30 BEEDLP CCC#C[C@H](C)[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000770025351 585569806 /nfs/dbraw/zinc/56/98/06/585569806.db2.gz LWRAWPRGAQRHOV-KBPBESRZSA-N 2 2 245.370 2.401 20 30 BEEDLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000774212446 585653916 /nfs/dbraw/zinc/65/39/16/585653916.db2.gz XHBCKEHRWNOTEI-HZSPNIEDSA-N 2 2 235.375 2.143 20 30 BEEDLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000774212446 585653917 /nfs/dbraw/zinc/65/39/17/585653917.db2.gz XHBCKEHRWNOTEI-HZSPNIEDSA-N 2 2 235.375 2.143 20 30 BEEDLP C#CC[C@@H]([NH2+]CC[NH+]1CCCC1)c1ccccc1 ZINC000775398745 585677535 /nfs/dbraw/zinc/67/75/35/585677535.db2.gz ATUUSFYTCGIBNS-MRXNPFEDSA-N 2 2 242.366 2.436 20 30 BEEDLP Cc1cc(N)cc(C)c1C=[NH+]Nc1cc[nH+]cc1 ZINC000779808591 585765704 /nfs/dbraw/zinc/76/57/04/585765704.db2.gz MNPVOCLCKZIITA-UHFFFAOYSA-N 2 2 240.310 2.149 20 30 BEEDLP C=CC[C@@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1ccncc1 ZINC000817895301 586835538 /nfs/dbraw/zinc/83/55/38/586835538.db2.gz XQOFMNBQAMKYLR-NWANDNLSSA-N 2 2 245.370 2.429 20 30 BEEDLP C#CCCCC[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000120540408 589433726 /nfs/dbraw/zinc/43/37/26/589433726.db2.gz ULOQJVXOJJSKRD-STQMWFEESA-N 2 2 220.360 2.005 20 30 BEEDLP C#CCCCC[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000120540408 589433727 /nfs/dbraw/zinc/43/37/27/589433727.db2.gz ULOQJVXOJJSKRD-STQMWFEESA-N 2 2 220.360 2.005 20 30 BEEDLP C#CCCCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000120540546 589434383 /nfs/dbraw/zinc/43/43/83/589434383.db2.gz ULOQJVXOJJSKRD-CHWSQXEVSA-N 2 2 220.360 2.005 20 30 BEEDLP C#CCCCC[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000120540546 589434385 /nfs/dbraw/zinc/43/43/85/589434385.db2.gz ULOQJVXOJJSKRD-CHWSQXEVSA-N 2 2 220.360 2.005 20 30 BEEDLP C#C[C@H]1CC[C@H]([NH2+][C@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000872139315 589880535 /nfs/dbraw/zinc/88/05/35/589880535.db2.gz BSINKYWFFNLUPJ-AJNGGQMLSA-N 2 2 246.398 2.393 20 30 BEEDLP C#C[C@H]1CC[C@H]([NH2+][C@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1 ZINC000872139315 589880538 /nfs/dbraw/zinc/88/05/38/589880538.db2.gz BSINKYWFFNLUPJ-AJNGGQMLSA-N 2 2 246.398 2.393 20 30 BEEDLP Cc1cc[nH+]c(N)c1C=[NH+]OCCC1CC1 ZINC000872378763 589926828 /nfs/dbraw/zinc/92/68/28/589926828.db2.gz OUQWHUWMBIAUKG-UHFFFAOYSA-N 2 2 219.288 2.123 20 30 BEEDLP C#CCCCCCC[NH2+]CCCn1cc[nH+]c1 ZINC000876885578 590253690 /nfs/dbraw/zinc/25/36/90/590253690.db2.gz PEGIYSVRDAZAHL-UHFFFAOYSA-N 2 2 233.359 2.447 20 30 BEEDLP C#CCCCCCC[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000876930494 590258382 /nfs/dbraw/zinc/25/83/82/590258382.db2.gz XQQSBUKSXLLLPM-CQSZACIVSA-N 2 2 233.359 2.445 20 30 BEEDLP C[C@@H](CCC#N)C[NH2+]C[C@H](C)[NH+]1CCCCC1 ZINC000876956595 590260812 /nfs/dbraw/zinc/26/08/12/590260812.db2.gz LPFYTJXRSHTTBZ-KBPBESRZSA-N 2 2 237.391 2.390 20 30 BEEDLP C#CCCCCCC[NH2+]C[C@H](C)[NH+](C)C ZINC000877149832 590292614 /nfs/dbraw/zinc/29/26/14/590292614.db2.gz HROMBXICLUFEQR-ZDUSSCGKSA-N 2 2 210.365 2.110 20 30 BEEDLP C=CC[C@@H](C)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000878058940 590484518 /nfs/dbraw/zinc/48/45/18/590484518.db2.gz DVVVRRLAZWUBHA-CHWSQXEVSA-N 2 2 219.332 2.485 20 30 BEEDLP C=CC[C@@H](C)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000878058940 590484521 /nfs/dbraw/zinc/48/45/21/590484521.db2.gz DVVVRRLAZWUBHA-CHWSQXEVSA-N 2 2 219.332 2.485 20 30 BEEDLP C=C(CC)C[N@@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC000880136437 590937728 /nfs/dbraw/zinc/93/77/28/590937728.db2.gz LVOUMQPOHMOFCD-OLZOCXBDSA-N 2 2 208.349 2.121 20 30 BEEDLP C=C(CC)C[N@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC000880136437 590937730 /nfs/dbraw/zinc/93/77/30/590937730.db2.gz LVOUMQPOHMOFCD-OLZOCXBDSA-N 2 2 208.349 2.121 20 30 BEEDLP C=C(CC)C[NH+]1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000880136437 590937735 /nfs/dbraw/zinc/93/77/35/590937735.db2.gz LVOUMQPOHMOFCD-OLZOCXBDSA-N 2 2 208.349 2.121 20 30 BEEDLP C=C(CC)C[NH+]1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000880136437 590937736 /nfs/dbraw/zinc/93/77/36/590937736.db2.gz LVOUMQPOHMOFCD-OLZOCXBDSA-N 2 2 208.349 2.121 20 30 BEEDLP C=C(Cl)C[NH2+][C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000129767791 591401882 /nfs/dbraw/zinc/40/18/82/591401882.db2.gz UHBYNHQEJBBFJR-KOLCDFICSA-N 2 2 216.756 2.059 20 30 BEEDLP C=C(Cl)C[NH2+][C@H]1CC[N@H+](CC)C[C@H]1C ZINC000129767791 591401884 /nfs/dbraw/zinc/40/18/84/591401884.db2.gz UHBYNHQEJBBFJR-KOLCDFICSA-N 2 2 216.756 2.059 20 30 BEEDLP C=CC[C@H](C)[N@@H+]1CC2CCC1(C[NH3+])CC2 ZINC000883435385 591666111 /nfs/dbraw/zinc/66/61/11/591666111.db2.gz RLXZIPVFJQVFPX-HIFPTAJRSA-N 2 2 208.349 2.154 20 30 BEEDLP C=CC[C@H](C)[N@H+]1CC2CCC1(C[NH3+])CC2 ZINC000883435385 591666113 /nfs/dbraw/zinc/66/61/13/591666113.db2.gz RLXZIPVFJQVFPX-HIFPTAJRSA-N 2 2 208.349 2.154 20 30 BEEDLP CCC1([NH+]2CCC2)CC[NH+](CCCC#N)CC1 ZINC000886708764 592308948 /nfs/dbraw/zinc/30/89/48/592308948.db2.gz BYPNYNWELYFDKY-UHFFFAOYSA-N 2 2 235.375 2.240 20 30 BEEDLP Cc1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)cc1C#N ZINC000925843070 635508772 /nfs/dbraw/zinc/50/87/72/635508772.db2.gz YXNCHJOQXXFKAG-WFASDCNBSA-N 2 2 243.354 2.097 20 30 BEEDLP C#CCCC[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000925161095 646197716 /nfs/dbraw/zinc/19/77/16/646197716.db2.gz NJMHPVVXVOVYIU-UONOGXRCSA-N 2 2 220.360 2.006 20 30 BEEDLP C#CCCC[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000925161095 646197719 /nfs/dbraw/zinc/19/77/19/646197719.db2.gz NJMHPVVXVOVYIU-UONOGXRCSA-N 2 2 220.360 2.006 20 30 BEEDLP C=C(Cl)C[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000227737404 711832670 /nfs/dbraw/zinc/83/26/70/711832670.db2.gz MSAUEHGHDAWASR-JTQLQIEISA-N 2 2 204.745 2.044 20 30 BEEDLP C=C(Cl)C[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000227737404 711832671 /nfs/dbraw/zinc/83/26/71/711832671.db2.gz MSAUEHGHDAWASR-JTQLQIEISA-N 2 2 204.745 2.044 20 30 BEEDLP CCCCCCC[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000703748984 712085380 /nfs/dbraw/zinc/08/53/80/712085380.db2.gz UBFHLLXEVKLZPH-KGLIPLIRSA-N 2 2 242.407 2.313 20 30 BEEDLP C=CC[C@H](C)[N@@H+]1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000717157635 712638127 /nfs/dbraw/zinc/63/81/27/712638127.db2.gz BYLVBPQLCYBPFS-IVZWLZJFSA-N 2 2 236.281 2.163 20 30 BEEDLP C=CC[C@H](C)[N@H+]1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000717157635 712638129 /nfs/dbraw/zinc/63/81/29/712638129.db2.gz BYLVBPQLCYBPFS-IVZWLZJFSA-N 2 2 236.281 2.163 20 30 BEEDLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CCCC(C)(C)C#N ZINC000720361728 712835303 /nfs/dbraw/zinc/83/53/03/712835303.db2.gz COIYPLSZTQXWSU-UONOGXRCSA-N 2 2 249.402 2.485 20 30 BEEDLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CCCC(C)(C)C#N ZINC000720361728 712835305 /nfs/dbraw/zinc/83/53/05/712835305.db2.gz COIYPLSZTQXWSU-UONOGXRCSA-N 2 2 249.402 2.485 20 30 BEEDLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCCC(C)(C)C#N ZINC000720361728 712835307 /nfs/dbraw/zinc/83/53/07/712835307.db2.gz COIYPLSZTQXWSU-UONOGXRCSA-N 2 2 249.402 2.485 20 30 BEEDLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2CCCC(C)(C)C#N ZINC000720361728 712835308 /nfs/dbraw/zinc/83/53/08/712835308.db2.gz COIYPLSZTQXWSU-UONOGXRCSA-N 2 2 249.402 2.485 20 30 BEEDLP C=C(Cl)C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000693764638 1166353180 /nfs/dbraw/zinc/35/31/80/1166353180.db2.gz UUVQRQIRXYDIMS-OUAUKWLOSA-N 2 2 228.767 2.105 20 30 BEEDLP C#C[C@H]1CCC[N@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140804807 960588750 /nfs/dbraw/zinc/58/87/50/960588750.db2.gz GBMQPSYMYVLKQT-LBPRGKRZSA-N 2 2 239.322 2.408 20 30 BEEDLP C#C[C@H]1CCC[N@@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140804807 960588761 /nfs/dbraw/zinc/58/87/61/960588761.db2.gz GBMQPSYMYVLKQT-LBPRGKRZSA-N 2 2 239.322 2.408 20 30 BEEDLP C=CCCC[N@H+]1Cc2ccccc2C[C@H]1C[NH3+] ZINC000711325319 962684098 /nfs/dbraw/zinc/68/40/98/962684098.db2.gz FMDJZNOKGNUNLF-HNNXBMFYSA-N 2 2 230.355 2.338 20 30 BEEDLP C=CCCC[N@@H+]1Cc2ccccc2C[C@H]1C[NH3+] ZINC000711325319 962684103 /nfs/dbraw/zinc/68/41/03/962684103.db2.gz FMDJZNOKGNUNLF-HNNXBMFYSA-N 2 2 230.355 2.338 20 30 BEEDLP C=CCCC[NH+]1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000880130047 963045329 /nfs/dbraw/zinc/04/53/29/963045329.db2.gz BUFXIZXEVSIRRA-OLZOCXBDSA-N 2 2 208.349 2.121 20 30 BEEDLP C=CCCC[NH+]1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000880130047 963045340 /nfs/dbraw/zinc/04/53/40/963045340.db2.gz BUFXIZXEVSIRRA-OLZOCXBDSA-N 2 2 208.349 2.121 20 30 BEEDLP C=CCCC[N@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC000880130047 963045361 /nfs/dbraw/zinc/04/53/61/963045361.db2.gz BUFXIZXEVSIRRA-OLZOCXBDSA-N 2 2 208.349 2.121 20 30 BEEDLP C=CCCC[N@@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC000880130047 963045376 /nfs/dbraw/zinc/04/53/76/963045376.db2.gz BUFXIZXEVSIRRA-OLZOCXBDSA-N 2 2 208.349 2.121 20 30 BEEDLP CC[N@H+]([C@@H]1CC[C@H](C#N)C1)C1CC[NH+](C)CC1 ZINC001254669739 1169819384 /nfs/dbraw/zinc/81/93/84/1169819384.db2.gz UQHIVIFYIVJXQP-GXTWGEPZSA-N 2 2 235.375 2.095 20 30 BEEDLP CC[N@@H+]([C@@H]1CC[C@H](C#N)C1)C1CC[NH+](C)CC1 ZINC001254669739 1169819392 /nfs/dbraw/zinc/81/93/92/1169819392.db2.gz UQHIVIFYIVJXQP-GXTWGEPZSA-N 2 2 235.375 2.095 20 30 BEEDLP CC[C@](C)(C#N)[NH2+]C1CCC([NH+](C)C)CC1 ZINC001168300344 964399306 /nfs/dbraw/zinc/39/93/06/964399306.db2.gz VBTARUXJVDLNIH-WXRRBKDZSA-N 2 2 223.364 2.141 20 30 BEEDLP C[C@@H](CC[NH2+]Cc1ccc(C#N)cc1F)[NH+](C)C ZINC000697906727 964673260 /nfs/dbraw/zinc/67/32/60/964673260.db2.gz ZXFKVNGGRIJQKX-NSHDSACASA-N 2 2 249.333 2.127 20 30 BEEDLP C=C(C)c1ccccc1C[N@@H+]1CC[C@H]([NH3+])C1 ZINC001240836347 968745677 /nfs/dbraw/zinc/74/56/77/968745677.db2.gz DIRFIGDINZPTAO-ZDUSSCGKSA-N 2 2 216.328 2.253 20 30 BEEDLP C=C(C)c1ccccc1C[N@H+]1CC[C@H]([NH3+])C1 ZINC001240836347 968745685 /nfs/dbraw/zinc/74/56/85/968745685.db2.gz DIRFIGDINZPTAO-ZDUSSCGKSA-N 2 2 216.328 2.253 20 30 BEEDLP C=C(C)C[NH+]1CCC([NH+](CC)CC)CC1 ZINC000052049592 969669362 /nfs/dbraw/zinc/66/93/62/969669362.db2.gz VDOBGQHURXATLG-UHFFFAOYSA-N 2 2 210.365 2.369 20 30 BEEDLP N#C[C@H]1CC[C@@H]([NH2+][C@H]2CC3CC[NH+](CC3)C2)CC1 ZINC001254839594 969802165 /nfs/dbraw/zinc/80/21/65/969802165.db2.gz TYOKSXQUCUOGQN-ZNMIVQPWSA-N 2 2 247.386 2.143 20 30 BEEDLP C[NH+](C)CCC(C)(C)Nc1[nH+]cccc1CC#N ZINC001169711841 969830464 /nfs/dbraw/zinc/83/04/64/969830464.db2.gz QCTAOXZQIBBZFN-UHFFFAOYSA-N 2 2 246.358 2.290 20 30 BEEDLP CC[C@@H](CC#N)n1cc[nH+]c1[C@@H]1CCC[NH2+]C1 ZINC001255173731 969989643 /nfs/dbraw/zinc/98/96/43/969989643.db2.gz DELXQPVSHYPKMZ-NEPJUHHUSA-N 2 2 232.331 2.215 20 30 BEEDLP C#C[C@@](C)(CC)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC001256068763 970635397 /nfs/dbraw/zinc/63/53/97/970635397.db2.gz JQAMZLXLUMCXSO-AWEZNQCLSA-N 2 2 220.360 2.005 20 30 BEEDLP C[C@H](Cc1cccc(C#N)c1)[NH2+][C@H](C)C[NH+](C)C ZINC001171178100 972807383 /nfs/dbraw/zinc/80/73/83/972807383.db2.gz CEMJHOXVJDFPOX-CHWSQXEVSA-N 2 2 245.370 2.029 20 30 BEEDLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC1(C#N)CCC1)C2 ZINC001172100815 974344817 /nfs/dbraw/zinc/34/48/17/974344817.db2.gz UMZSOVBTPDHDFK-BTTYYORXSA-N 2 2 247.386 2.285 20 30 BEEDLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC1(C#N)CCC1)C2 ZINC001172100815 974344826 /nfs/dbraw/zinc/34/48/26/974344826.db2.gz UMZSOVBTPDHDFK-BTTYYORXSA-N 2 2 247.386 2.285 20 30 BEEDLP CC[N@H+](CCC#N)Cc1cc2c[nH+]ccc2[nH]1 ZINC001232014995 977843784 /nfs/dbraw/zinc/84/37/84/977843784.db2.gz ZEPUBUVIEQTPOD-UHFFFAOYSA-N 2 2 228.299 2.298 20 30 BEEDLP CC[N@@H+](CCC#N)Cc1cc2c[nH+]ccc2[nH]1 ZINC001232014995 977843789 /nfs/dbraw/zinc/84/37/89/977843789.db2.gz ZEPUBUVIEQTPOD-UHFFFAOYSA-N 2 2 228.299 2.298 20 30 BEEDLP C[C@@H]([NH3+])C[NH+]1CCC(c2ccc(C#N)cc2)CC1 ZINC001236183255 979439106 /nfs/dbraw/zinc/43/91/06/979439106.db2.gz UYXYWXOQEDBWNB-GFCCVEGCSA-N 2 2 243.354 2.085 20 30 BEEDLP C#Cc1cccc(C[N@@H+](CCC)[C@@H]2CC[NH2+]C2)c1 ZINC001236322890 979537732 /nfs/dbraw/zinc/53/77/32/979537732.db2.gz APOHXRACAVADEG-MRXNPFEDSA-N 2 2 242.366 2.242 20 30 BEEDLP C#Cc1cccc(C[N@H+](CCC)[C@@H]2CC[NH2+]C2)c1 ZINC001236322890 979537738 /nfs/dbraw/zinc/53/77/38/979537738.db2.gz APOHXRACAVADEG-MRXNPFEDSA-N 2 2 242.366 2.242 20 30 BEEDLP C=CCc1cccc(C[N@@H+](C)C[C@@H]([NH3+])CC)c1O ZINC001236867781 979771713 /nfs/dbraw/zinc/77/17/13/979771713.db2.gz AMRVAUUYDZDUTL-AWEZNQCLSA-N 2 2 248.370 2.290 20 30 BEEDLP C=CCc1cccc(C[N@H+](C)C[C@@H]([NH3+])CC)c1O ZINC001236867781 979771725 /nfs/dbraw/zinc/77/17/25/979771725.db2.gz AMRVAUUYDZDUTL-AWEZNQCLSA-N 2 2 248.370 2.290 20 30 BEEDLP N#CC1CCC([NH2+][C@H]2CC[N@@H+](C3CCC3)C2)CC1 ZINC001256960037 984845211 /nfs/dbraw/zinc/84/52/11/984845211.db2.gz FPNYJGAQSOIFNR-RUXDESIVSA-N 2 2 247.386 2.285 20 30 BEEDLP N#CC1CCC([NH2+][C@H]2CC[N@H+](C3CCC3)C2)CC1 ZINC001256960037 984845213 /nfs/dbraw/zinc/84/52/13/984845213.db2.gz FPNYJGAQSOIFNR-RUXDESIVSA-N 2 2 247.386 2.285 20 30 BEEDLP CCCCCCC[C@H](C)[NH2+]C[C@H]1C[NH2+]CCO1 ZINC001246086095 987386448 /nfs/dbraw/zinc/38/64/48/987386448.db2.gz BUCGLLFTIGDLAZ-UONOGXRCSA-N 2 2 242.407 2.313 20 30 BEEDLP C[C@@H]([NH2+][C@@H]1CC[C@H](C)[NH2+]C1)c1ccc(C#N)cc1 ZINC001246090427 987392946 /nfs/dbraw/zinc/39/29/46/987392946.db2.gz XKMCGMNPTGPHCU-YWPYICTPSA-N 2 2 243.354 2.349 20 30 BEEDLP C#CC1([NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)CCCCC1 ZINC001246461574 987820493 /nfs/dbraw/zinc/82/04/93/987820493.db2.gz DJMUVSHZSIVQPM-CHWSQXEVSA-N 2 2 220.360 2.053 20 30 BEEDLP CCCCCCC[C@H](C)[N@H+]1C[C@H](O)C[C@H]([NH3+])C1 ZINC001246538634 987897776 /nfs/dbraw/zinc/89/77/76/987897776.db2.gz IKKROQPKLMRMHA-MELADBBJSA-N 2 2 242.407 2.129 20 30 BEEDLP CCCCCCC[C@H](C)[N@@H+]1C[C@H](O)C[C@H]([NH3+])C1 ZINC001246538634 987897782 /nfs/dbraw/zinc/89/77/82/987897782.db2.gz IKKROQPKLMRMHA-MELADBBJSA-N 2 2 242.407 2.129 20 30 BEEDLP C=CCC[C@H](C)[NH2+][C@]1(C)CCC[N@H+](C)C1 ZINC001258724222 991617258 /nfs/dbraw/zinc/61/72/58/991617258.db2.gz QMPZCWVVKHONBZ-QWHCGFSZSA-N 2 2 210.365 2.415 20 30 BEEDLP C=CCC[C@H](C)[NH2+][C@]1(C)CCC[N@@H+](C)C1 ZINC001258724222 991617263 /nfs/dbraw/zinc/61/72/63/991617263.db2.gz QMPZCWVVKHONBZ-QWHCGFSZSA-N 2 2 210.365 2.415 20 30 BEEDLP C=CCC[C@H](C)[NH2+][C@@]1(C)CCC[N@H+](C)C1 ZINC001258724223 991618831 /nfs/dbraw/zinc/61/88/31/991618831.db2.gz QMPZCWVVKHONBZ-STQMWFEESA-N 2 2 210.365 2.415 20 30 BEEDLP C=CCC[C@H](C)[NH2+][C@@]1(C)CCC[N@@H+](C)C1 ZINC001258724223 991618835 /nfs/dbraw/zinc/61/88/35/991618835.db2.gz QMPZCWVVKHONBZ-STQMWFEESA-N 2 2 210.365 2.415 20 30 BEEDLP C=CCC[C@H](C)n1c[nH+]c(C)c1CC[NH3+] ZINC001258716731 991632665 /nfs/dbraw/zinc/63/26/65/991632665.db2.gz BNXNLCBYDKFOBD-JTQLQIEISA-N 2 2 207.321 2.220 20 30 BEEDLP C=CCC[C@H](C)[N@H+]1C[C@H]2[C@H](C1)CCC[NH+]2C ZINC001258733454 991680371 /nfs/dbraw/zinc/68/03/71/991680371.db2.gz GJNLCQDZNKHRRS-IHRRRGAJSA-N 2 2 222.376 2.367 20 30 BEEDLP C=CCC[C@H](C)[N@@H+]1C[C@H]2[C@H](C1)CCC[NH+]2C ZINC001258733454 991680375 /nfs/dbraw/zinc/68/03/75/991680375.db2.gz GJNLCQDZNKHRRS-IHRRRGAJSA-N 2 2 222.376 2.367 20 30 BEEDLP C=CCC[C@H](C)[NH+]1C[C@H]2[C@H](C1)CCC[N@@H+]2C ZINC001258733454 991680382 /nfs/dbraw/zinc/68/03/82/991680382.db2.gz GJNLCQDZNKHRRS-IHRRRGAJSA-N 2 2 222.376 2.367 20 30 BEEDLP C=CCC[C@H](C)[NH+]1C[C@H]2[C@H](C1)CCC[N@H+]2C ZINC001258733454 991680390 /nfs/dbraw/zinc/68/03/90/991680390.db2.gz GJNLCQDZNKHRRS-IHRRRGAJSA-N 2 2 222.376 2.367 20 30 BEEDLP CC[NH+](CC)CCC[C@@H](C)[NH+]1CC(C)(C#N)C1 ZINC001258907026 991892762 /nfs/dbraw/zinc/89/27/62/991892762.db2.gz DBXLPTDWDDTXQJ-CYBMUJFWSA-N 2 2 237.391 2.342 20 30 BEEDLP C[C@]1(C[N@H+](CCC#N)CC2CC2)CCC[NH2+]C1 ZINC001576500321 993322596 /nfs/dbraw/zinc/32/25/96/993322596.db2.gz FYIZUSNWIYJMBM-AWEZNQCLSA-N 2 2 235.375 2.002 20 30 BEEDLP C[C@]1(C[N@@H+](CCC#N)CC2CC2)CCC[NH2+]C1 ZINC001576500321 993322601 /nfs/dbraw/zinc/32/26/01/993322601.db2.gz FYIZUSNWIYJMBM-AWEZNQCLSA-N 2 2 235.375 2.002 20 30 BEEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCC2(C)C)CC1 ZINC000336744560 136219598 /nfs/dbraw/zinc/21/95/98/136219598.db2.gz QFEQDRBNSJTRIB-ZDUSSCGKSA-N 2 2 222.376 2.415 20 30 BEEDLP N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000613254413 361859456 /nfs/dbraw/zinc/85/94/56/361859456.db2.gz JBUXVLPICHJWBA-QLFBSQMISA-N 2 2 247.386 2.143 20 30 BEEDLP N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000613254413 361859460 /nfs/dbraw/zinc/85/94/60/361859460.db2.gz JBUXVLPICHJWBA-QLFBSQMISA-N 2 2 247.386 2.143 20 30 BEEDLP C[C@H](CCC#N)C[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000602565625 349617799 /nfs/dbraw/zinc/61/77/99/349617799.db2.gz QNINPTMXVHWRSU-TZMCWYRMSA-N 2 2 235.375 2.000 20 30 BEEDLP C[C@H](CCC#N)C[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000602565625 349617802 /nfs/dbraw/zinc/61/78/02/349617802.db2.gz QNINPTMXVHWRSU-TZMCWYRMSA-N 2 2 235.375 2.000 20 30 BEEDLP C[C@H](CCC#N)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000602567598 349619464 /nfs/dbraw/zinc/61/94/64/349619464.db2.gz HLGBIXVREOYIMJ-JHJVBQTASA-N 2 2 235.375 2.141 20 30 BEEDLP C[C@H](CCC#N)C[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000602567598 349619467 /nfs/dbraw/zinc/61/94/67/349619467.db2.gz HLGBIXVREOYIMJ-JHJVBQTASA-N 2 2 235.375 2.141 20 30 BEEDLP C[C@H](CCC#N)C[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000602567599 349619485 /nfs/dbraw/zinc/61/94/85/349619485.db2.gz HLGBIXVREOYIMJ-UPJWGTAASA-N 2 2 235.375 2.141 20 30 BEEDLP C[C@H](CCC#N)C[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000602567599 349619486 /nfs/dbraw/zinc/61/94/86/349619486.db2.gz HLGBIXVREOYIMJ-UPJWGTAASA-N 2 2 235.375 2.141 20 30 BEEDLP C=CCC[C@@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)C1CC1 ZINC000390576668 539026449 /nfs/dbraw/zinc/02/64/49/539026449.db2.gz WCHKUYLIDNWZAT-ZIAGYGMSSA-N 2 2 222.376 2.415 20 30 BEEDLP C=CCC[C@@H]([NH2+][C@@H]1CCC[N@H+](C)C1)C1CC1 ZINC000390576668 539026450 /nfs/dbraw/zinc/02/64/50/539026450.db2.gz WCHKUYLIDNWZAT-ZIAGYGMSSA-N 2 2 222.376 2.415 20 30 BEEDLP C[C@H](CCC#N)C[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000602704984 349699055 /nfs/dbraw/zinc/69/90/55/349699055.db2.gz IYJFTHGEPGELBO-OLZOCXBDSA-N 2 2 237.391 2.389 20 30 BEEDLP C[C@H](CCC#N)C[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000602704984 349699058 /nfs/dbraw/zinc/69/90/58/349699058.db2.gz IYJFTHGEPGELBO-OLZOCXBDSA-N 2 2 237.391 2.389 20 30 BEEDLP C[C@@H]1C[C@@H]([NH+](C)CC2(CC#N)CC2)CC[N@@H+]1C ZINC000602778548 349745194 /nfs/dbraw/zinc/74/51/94/349745194.db2.gz LZOLYQDAXUHFHG-OLZOCXBDSA-N 2 2 235.375 2.095 20 30 BEEDLP C[C@@H]1C[C@@H]([NH+](C)CC2(CC#N)CC2)CC[N@H+]1C ZINC000602778548 349745198 /nfs/dbraw/zinc/74/51/98/349745198.db2.gz LZOLYQDAXUHFHG-OLZOCXBDSA-N 2 2 235.375 2.095 20 30 BEEDLP C[C@@H]1C[C@@H]([N@H+](C)CC2(CC#N)CC2)CC[NH+]1C ZINC000602778548 349745201 /nfs/dbraw/zinc/74/52/01/349745201.db2.gz LZOLYQDAXUHFHG-OLZOCXBDSA-N 2 2 235.375 2.095 20 30 BEEDLP C[C@@H]1C[C@@H]([N@@H+](C)CC2(CC#N)CC2)CC[NH+]1C ZINC000602778548 349745206 /nfs/dbraw/zinc/74/52/06/349745206.db2.gz LZOLYQDAXUHFHG-OLZOCXBDSA-N 2 2 235.375 2.095 20 30 BEEDLP C=CCC[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)C1CC1 ZINC000120511415 136269322 /nfs/dbraw/zinc/26/93/22/136269322.db2.gz AXXHAFUMJJVJNV-KGLIPLIRSA-N 2 2 222.376 2.415 20 30 BEEDLP C=CCC[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)C1CC1 ZINC000120511415 136269323 /nfs/dbraw/zinc/26/93/23/136269323.db2.gz AXXHAFUMJJVJNV-KGLIPLIRSA-N 2 2 222.376 2.415 20 30 BEEDLP C[N@@H+]1CC[C@@H]([NH2+]CCCC#N)[C@H]1c1ccccc1 ZINC000284227663 136287316 /nfs/dbraw/zinc/28/73/16/136287316.db2.gz KCBGBNJTDBKBEU-HUUCEWRRSA-N 2 2 243.354 2.325 20 30 BEEDLP C[N@H+]1CC[C@@H]([NH2+]CCCC#N)[C@H]1c1ccccc1 ZINC000284227663 136287317 /nfs/dbraw/zinc/28/73/17/136287317.db2.gz KCBGBNJTDBKBEU-HUUCEWRRSA-N 2 2 243.354 2.325 20 30 BEEDLP C[C@@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1ccc(C#N)cc1 ZINC000235205056 344845209 /nfs/dbraw/zinc/84/52/09/344845209.db2.gz ZCNJKIYPGNRKOO-IUODEOHRSA-N 2 2 243.354 2.351 20 30 BEEDLP CC(C)(CCC#N)C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000368081297 535006346 /nfs/dbraw/zinc/00/63/46/535006346.db2.gz LNNUIDNTIIFLJD-LLVKDONJSA-N 2 2 246.358 2.187 20 30 BEEDLP CC(C)(CCC#N)C[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000368081297 535006352 /nfs/dbraw/zinc/00/63/52/535006352.db2.gz LNNUIDNTIIFLJD-LLVKDONJSA-N 2 2 246.358 2.187 20 30 BEEDLP C=C(C)CC[NH2+]Cc1cccc2[nH+]ccn21 ZINC000449470190 201934825 /nfs/dbraw/zinc/93/48/25/201934825.db2.gz AHERMTZKMABBOQ-UHFFFAOYSA-N 2 2 215.300 2.390 20 30 BEEDLP N#C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)C1 ZINC000590158600 346782998 /nfs/dbraw/zinc/78/29/98/346782998.db2.gz DSTZXWKNIYLLSE-MCIONIFRSA-N 2 2 244.342 2.212 20 30 BEEDLP N#C[C@@H]1CC[C@@H]([N@H+]2CCC[C@H](n3cc[nH+]c3)C2)C1 ZINC000590158600 346783001 /nfs/dbraw/zinc/78/30/01/346783001.db2.gz DSTZXWKNIYLLSE-MCIONIFRSA-N 2 2 244.342 2.212 20 30 BEEDLP CC(C)(C#N)CC[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000119633049 347297946 /nfs/dbraw/zinc/29/79/46/347297946.db2.gz CYWSQAOXMSFMLD-UHFFFAOYSA-N 2 2 249.402 2.486 20 30 BEEDLP C=CC[C@H](C)[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000119841215 347308337 /nfs/dbraw/zinc/30/83/37/347308337.db2.gz SSXNMVCWYOMJEI-TUAOUCFPSA-N 2 2 208.349 2.166 20 30 BEEDLP C=CC[C@H](C)[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000119841215 347308340 /nfs/dbraw/zinc/30/83/40/347308340.db2.gz SSXNMVCWYOMJEI-TUAOUCFPSA-N 2 2 208.349 2.166 20 30 BEEDLP C[C@H](CCC#N)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591013252 347606350 /nfs/dbraw/zinc/60/63/50/347606350.db2.gz OPEIRYYNMPJLLG-CHWSQXEVSA-N 2 2 232.331 2.212 20 30 BEEDLP C[C@H](CCC#N)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591013252 347606353 /nfs/dbraw/zinc/60/63/53/347606353.db2.gz OPEIRYYNMPJLLG-CHWSQXEVSA-N 2 2 232.331 2.212 20 30 BEEDLP C[C@H]([NH2+]CC[NH2+]C1CC1)c1ccc(C#N)c(F)c1 ZINC000591577269 347676569 /nfs/dbraw/zinc/67/65/69/347676569.db2.gz KVHXMGVJJYBTJJ-JTQLQIEISA-N 2 2 247.317 2.100 20 30 BEEDLP CC[C@H]([NH2+]CC[NH2+]C1CC1)c1ccc(C#N)cc1 ZINC000591577260 347676744 /nfs/dbraw/zinc/67/67/44/347676744.db2.gz JZJMHIOWVNLQRC-HNNXBMFYSA-N 2 2 243.354 2.351 20 30 BEEDLP N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000594520381 348069808 /nfs/dbraw/zinc/06/98/08/348069808.db2.gz NWFABTVCTJTYEB-LXTVHRRPSA-N 2 2 247.386 2.285 20 30 BEEDLP N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC000594520381 348069811 /nfs/dbraw/zinc/06/98/11/348069811.db2.gz NWFABTVCTJTYEB-LXTVHRRPSA-N 2 2 247.386 2.285 20 30 BEEDLP Cc1[nH+]ccn1CCCC[N@@H+]([C@H](C)C#N)C1CC1 ZINC000595713491 348325405 /nfs/dbraw/zinc/32/54/05/348325405.db2.gz VBNOVFKOEJFBQI-GFCCVEGCSA-N 2 2 246.358 2.348 20 30 BEEDLP Cc1[nH+]ccn1CCCC[N@H+]([C@H](C)C#N)C1CC1 ZINC000595713491 348325407 /nfs/dbraw/zinc/32/54/07/348325407.db2.gz VBNOVFKOEJFBQI-GFCCVEGCSA-N 2 2 246.358 2.348 20 30 BEEDLP CC[C@H]([NH2+][C@@H](C)C[NH2+]C)c1ccc(C#N)cc1 ZINC000596654776 348607691 /nfs/dbraw/zinc/60/76/91/348607691.db2.gz NILCZTWPGMWEFY-FZMZJTMJSA-N 2 2 231.343 2.207 20 30 BEEDLP C[NH2+]C[C@@H](C)[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000596654386 348607715 /nfs/dbraw/zinc/60/77/15/348607715.db2.gz NRZWMFUIDMMFBM-ABAIWWIYSA-N 2 2 243.354 2.133 20 30 BEEDLP C[C@@H](C#N)C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000054181100 348896635 /nfs/dbraw/zinc/89/66/35/348896635.db2.gz WMKPKXPSMRBRDJ-LBPRGKRZSA-N 2 2 240.310 2.122 20 30 BEEDLP CC1(C)CCCN(CCCn2cc[nH+]c2)[C@@H]1C#N ZINC000277715152 351723757 /nfs/dbraw/zinc/72/37/57/351723757.db2.gz ITYMINVMLFPIDV-CYBMUJFWSA-N 2 2 246.358 2.287 20 30 BEEDLP CC1(C)CCC[N@H+](CCCn2cc[nH+]c2)[C@@H]1C#N ZINC000277715152 351723759 /nfs/dbraw/zinc/72/37/59/351723759.db2.gz ITYMINVMLFPIDV-CYBMUJFWSA-N 2 2 246.358 2.287 20 30 BEEDLP CC1(C)CCC[N@@H+](CCCn2cc[nH+]c2)[C@@H]1C#N ZINC000277715152 351723763 /nfs/dbraw/zinc/72/37/63/351723763.db2.gz ITYMINVMLFPIDV-CYBMUJFWSA-N 2 2 246.358 2.287 20 30 BEEDLP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]CCC#N ZINC000411556129 191194386 /nfs/dbraw/zinc/19/43/86/191194386.db2.gz XLAUNLORBDXCIJ-KGLIPLIRSA-N 2 2 237.391 2.390 20 30 BEEDLP CCC[NH+](CCC)CCC[NH2+]CCC#N ZINC000583495093 353119916 /nfs/dbraw/zinc/11/99/16/353119916.db2.gz PVBNLPDHDPRROA-UHFFFAOYSA-N 2 2 211.353 2.002 20 30 BEEDLP CC#CCC[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000274093910 188091275 /nfs/dbraw/zinc/09/12/75/188091275.db2.gz QONYOXCWEXTZAM-UHFFFAOYSA-N 2 2 217.316 2.003 20 30 BEEDLP C=CCSCC[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000127514746 353271036 /nfs/dbraw/zinc/27/10/36/353271036.db2.gz RCCXQNNOUNLTFM-RYUDHWBXSA-N 2 2 240.416 2.120 20 30 BEEDLP C=CCSCC[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000127514746 353271037 /nfs/dbraw/zinc/27/10/37/353271037.db2.gz RCCXQNNOUNLTFM-RYUDHWBXSA-N 2 2 240.416 2.120 20 30 BEEDLP C#C[C@H](C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000162561853 353327160 /nfs/dbraw/zinc/32/71/60/353327160.db2.gz ICUAGAZVKFIZJG-AWEZNQCLSA-N 2 2 242.366 2.262 20 30 BEEDLP C#CC[N@H+](CC)CCCc1c[nH+]ccc1C ZINC000289369302 353625937 /nfs/dbraw/zinc/62/59/37/353625937.db2.gz OYEUEPOKKUHUTF-UHFFFAOYSA-N 2 2 216.328 2.278 20 30 BEEDLP C#CC[N@@H+](CC)CCCc1c[nH+]ccc1C ZINC000289369302 353625938 /nfs/dbraw/zinc/62/59/38/353625938.db2.gz OYEUEPOKKUHUTF-UHFFFAOYSA-N 2 2 216.328 2.278 20 30 BEEDLP C=C(CC)C[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000449732940 202011483 /nfs/dbraw/zinc/01/14/83/202011483.db2.gz FNFBKPQPMAZHHH-YPMHNXCESA-N 2 2 208.349 2.025 20 30 BEEDLP C=C(CC)C[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000449732940 202011487 /nfs/dbraw/zinc/01/14/87/202011487.db2.gz FNFBKPQPMAZHHH-YPMHNXCESA-N 2 2 208.349 2.025 20 30 BEEDLP C=C(CC)C[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000449732937 202011658 /nfs/dbraw/zinc/01/16/58/202011658.db2.gz FNFBKPQPMAZHHH-AAEUAGOBSA-N 2 2 208.349 2.025 20 30 BEEDLP C=C(CC)C[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000449732937 202011661 /nfs/dbraw/zinc/01/16/61/202011661.db2.gz FNFBKPQPMAZHHH-AAEUAGOBSA-N 2 2 208.349 2.025 20 30 BEEDLP Cc1cccn2c(C[NH2+]CCCC#N)c[nH+]c12 ZINC000344327700 354224939 /nfs/dbraw/zinc/22/49/39/354224939.db2.gz PLGYGMVQXBBFJJ-UHFFFAOYSA-N 2 2 228.299 2.036 20 30 BEEDLP C=CCOc1ccccc1C[NH2+][C@H]1CCC[NH2+]C1 ZINC000414867004 191607338 /nfs/dbraw/zinc/60/73/38/191607338.db2.gz NSIODZJPQZZUPI-AWEZNQCLSA-N 2 2 246.354 2.093 20 30 BEEDLP C=CC[NH+]1CCC([NH2+][C@@H](CC)C2CC2)CC1 ZINC000167404428 355992256 /nfs/dbraw/zinc/99/22/56/355992256.db2.gz FOUZLTQWFXUAFM-AWEZNQCLSA-N 2 2 222.376 2.415 20 30 BEEDLP C=CC[NH+]1CCC([NH2+][C@H](CC)C2CC2)CC1 ZINC000167404545 355992287 /nfs/dbraw/zinc/99/22/87/355992287.db2.gz FOUZLTQWFXUAFM-CQSZACIVSA-N 2 2 222.376 2.415 20 30 BEEDLP C=CC[C@H]1CC[C@H]([NH2+]C[C@H]2CCC[N@H+]2C)C1 ZINC000623634911 366313632 /nfs/dbraw/zinc/31/36/32/366313632.db2.gz GLZYHAFVFDHVOC-MELADBBJSA-N 2 2 222.376 2.415 20 30 BEEDLP C=CC[C@H]1CC[C@H]([NH2+]C[C@H]2CCC[N@@H+]2C)C1 ZINC000623634911 366313637 /nfs/dbraw/zinc/31/36/37/366313637.db2.gz GLZYHAFVFDHVOC-MELADBBJSA-N 2 2 222.376 2.415 20 30 BEEDLP CCCC[N@H+](C)CC[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000361460547 134205576 /nfs/dbraw/zinc/20/55/76/134205576.db2.gz ZEGUVULCVPCVGJ-KBPBESRZSA-N 2 2 237.391 2.390 20 30 BEEDLP CCCC[N@@H+](C)CC[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000361460547 134205577 /nfs/dbraw/zinc/20/55/77/134205577.db2.gz ZEGUVULCVPCVGJ-KBPBESRZSA-N 2 2 237.391 2.390 20 30 BEEDLP C[NH+](C)C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000035732125 358785681 /nfs/dbraw/zinc/78/56/81/358785681.db2.gz WCGMLFQAQMSTES-UHFFFAOYSA-N 2 2 243.354 2.084 20 30 BEEDLP CCC[NH2+]CC[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000423311342 192697916 /nfs/dbraw/zinc/69/79/16/192697916.db2.gz PNCOUXGEDNJKLX-LBPRGKRZSA-N 2 2 231.343 2.208 20 30 BEEDLP CCC[NH2+]CC[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000423314223 192700560 /nfs/dbraw/zinc/70/05/60/192700560.db2.gz VOCAAVIWCCRYEZ-OAHLLOKOSA-N 2 2 243.354 2.135 20 30 BEEDLP C[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc(C#N)c(F)c1 ZINC000423315555 192701373 /nfs/dbraw/zinc/70/13/73/192701373.db2.gz IZBYOWGJLASTBK-OTYXRUKQSA-N 2 2 247.317 2.085 20 30 BEEDLP C=CCC[C@H](C)[NH2+]C[C@@H](C)[N@H+](C)C1CC1 ZINC000134919401 364418805 /nfs/dbraw/zinc/41/88/05/364418805.db2.gz AVRWMOFWDPZVOB-NWDGAFQWSA-N 2 2 210.365 2.413 20 30 BEEDLP C=CCC[C@H](C)[NH2+]C[C@@H](C)[N@@H+](C)C1CC1 ZINC000134919401 364418813 /nfs/dbraw/zinc/41/88/13/364418813.db2.gz AVRWMOFWDPZVOB-NWDGAFQWSA-N 2 2 210.365 2.413 20 30 BEEDLP C=CC(C)(C)C[NH2+]Cc1c[nH+]c(C)n1C ZINC000576173580 365510215 /nfs/dbraw/zinc/51/02/15/365510215.db2.gz VSHPVXGODPGUOG-UHFFFAOYSA-N 2 2 207.321 2.030 20 30 BEEDLP C=C[C@H]1CCCC[N@H+]1CCCc1c[nH+]cn1C ZINC000581891896 367881318 /nfs/dbraw/zinc/88/13/18/367881318.db2.gz IPGYFZIEVFJIDU-ZDUSSCGKSA-N 2 2 233.359 2.393 20 30 BEEDLP C=C[C@H]1CCCC[N@@H+]1CCCc1c[nH+]cn1C ZINC000581891896 367881324 /nfs/dbraw/zinc/88/13/24/367881324.db2.gz IPGYFZIEVFJIDU-ZDUSSCGKSA-N 2 2 233.359 2.393 20 30 BEEDLP C[C@H]1C[C@H]([NH2+]CC2(C#N)CCCC2)CC[N@@H+]1C ZINC000405067975 369443234 /nfs/dbraw/zinc/44/32/34/369443234.db2.gz CBVZWVOIJJDXGI-QWHCGFSZSA-N 2 2 235.375 2.143 20 30 BEEDLP C[C@H]1C[C@H]([NH2+]CC2(C#N)CCCC2)CC[N@H+]1C ZINC000405067975 369443237 /nfs/dbraw/zinc/44/32/37/369443237.db2.gz CBVZWVOIJJDXGI-QWHCGFSZSA-N 2 2 235.375 2.143 20 30 BEEDLP C[C@@H]1C[C@H]([NH2+]CC2(C#N)CCCC2)CC[N@@H+]1C ZINC000405067973 369443495 /nfs/dbraw/zinc/44/34/95/369443495.db2.gz CBVZWVOIJJDXGI-CHWSQXEVSA-N 2 2 235.375 2.143 20 30 BEEDLP C[C@@H]1C[C@H]([NH2+]CC2(C#N)CCCC2)CC[N@H+]1C ZINC000405067973 369443498 /nfs/dbraw/zinc/44/34/98/369443498.db2.gz CBVZWVOIJJDXGI-CHWSQXEVSA-N 2 2 235.375 2.143 20 30 BEEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)C2CC2)CC1 ZINC000165302477 203382890 /nfs/dbraw/zinc/38/28/90/203382890.db2.gz MEOCPNNEXWLQBA-NSHDSACASA-N 2 2 208.349 2.025 20 30 BEEDLP Cc1ccc(C[N@@H+]2CCCC[C@@H]2C[NH3+])cc1C#N ZINC000600706993 369559859 /nfs/dbraw/zinc/55/98/59/369559859.db2.gz WHMOUXOLDUPKGK-OAHLLOKOSA-N 2 2 243.354 2.180 20 30 BEEDLP Cc1ccc(C[N@H+]2CCCC[C@@H]2C[NH3+])cc1C#N ZINC000600706993 369559863 /nfs/dbraw/zinc/55/98/63/369559863.db2.gz WHMOUXOLDUPKGK-OAHLLOKOSA-N 2 2 243.354 2.180 20 30 BEEDLP C[C@H](CC[NH+](C)C)[NH2+]Cc1cccc(F)c1C#N ZINC000602009162 369733510 /nfs/dbraw/zinc/73/35/10/369733510.db2.gz WPYFRYXIUJBUGR-LLVKDONJSA-N 2 2 249.333 2.127 20 30 BEEDLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@H](C)C#N ZINC000309759992 370255919 /nfs/dbraw/zinc/25/59/19/370255919.db2.gz MHOOOWLMASAPIJ-NSHDSACASA-N 2 2 217.316 2.072 20 30 BEEDLP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC000019959849 371212342 /nfs/dbraw/zinc/21/23/42/371212342.db2.gz HVMUBNKRWIIPNM-OAHLLOKOSA-N 2 2 243.354 2.132 20 30 BEEDLP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC000019959849 371212348 /nfs/dbraw/zinc/21/23/48/371212348.db2.gz HVMUBNKRWIIPNM-OAHLLOKOSA-N 2 2 243.354 2.132 20 30 BEEDLP C[C@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccc(C#N)c(F)c1 ZINC000335176432 371530407 /nfs/dbraw/zinc/53/04/07/371530407.db2.gz DVJGCMGHHXQSMF-GXFFZTMASA-N 2 2 247.317 2.100 20 30 BEEDLP C=CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000161707239 371554692 /nfs/dbraw/zinc/55/46/92/371554692.db2.gz SOTORPAGKWUZGE-OAHLLOKOSA-N 2 2 230.355 2.427 20 30 BEEDLP C=CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000161707239 371554700 /nfs/dbraw/zinc/55/47/00/371554700.db2.gz SOTORPAGKWUZGE-OAHLLOKOSA-N 2 2 230.355 2.427 20 30 BEEDLP CCC[NH+]1CCC([NH2+]Cc2ccc(C#N)o2)CC1 ZINC000135133515 169188971 /nfs/dbraw/zinc/18/89/71/169188971.db2.gz DUETWIVTIHNBQI-UHFFFAOYSA-N 2 2 247.342 2.115 20 30 BEEDLP C=CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000020361804 383861965 /nfs/dbraw/zinc/86/19/65/383861965.db2.gz UZWQRNPTKSMINY-AWEZNQCLSA-N 2 2 216.328 2.037 20 30 BEEDLP C=CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000020361804 383861972 /nfs/dbraw/zinc/86/19/72/383861972.db2.gz UZWQRNPTKSMINY-AWEZNQCLSA-N 2 2 216.328 2.037 20 30 BEEDLP C#C[C@@H]([NH2+]Cc1c[nH+]cn1C(C)C)C(C)C ZINC000300870308 384125538 /nfs/dbraw/zinc/12/55/38/384125538.db2.gz HMVVWMSBDLGTBB-CYBMUJFWSA-N 2 2 219.332 2.211 20 30 BEEDLP C#C[C@H](CC)[NH2+]CCCc1c[nH+]ccc1C ZINC000310042046 384600252 /nfs/dbraw/zinc/60/02/52/384600252.db2.gz ZEFJMIOJLJOMTQ-CQSZACIVSA-N 2 2 216.328 2.324 20 30 BEEDLP C=CCCC[C@H](C)[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000398107945 384808878 /nfs/dbraw/zinc/80/88/78/384808878.db2.gz LNJDUNCOYIFNCC-BFHYXJOUSA-N 2 2 240.391 2.088 20 30 BEEDLP CC#CCC[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000156771944 384953039 /nfs/dbraw/zinc/95/30/39/384953039.db2.gz FRNQOAVERWHGFC-UONOGXRCSA-N 2 2 231.343 2.179 20 30 BEEDLP CC#CCC[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000156771944 384953047 /nfs/dbraw/zinc/95/30/47/384953047.db2.gz FRNQOAVERWHGFC-UONOGXRCSA-N 2 2 231.343 2.179 20 30 BEEDLP C=CCC[C@H](C)[NH2+][C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000308920523 385292918 /nfs/dbraw/zinc/29/29/18/385292918.db2.gz CDOSMUIPLBRDBP-YNEHKIRRSA-N 2 2 210.365 2.413 20 30 BEEDLP C=CCC[C@H](C)[NH2+][C@@H]1CCC[N@@H+](C)[C@@H]1C ZINC000308920523 385292929 /nfs/dbraw/zinc/29/29/29/385292929.db2.gz CDOSMUIPLBRDBP-YNEHKIRRSA-N 2 2 210.365 2.413 20 30 BEEDLP C=CCOc1cccc(C[NH2+][C@H]2CCC[NH2+]C2)c1 ZINC000414862288 385749718 /nfs/dbraw/zinc/74/97/18/385749718.db2.gz HJGVITAOWSFAMW-AWEZNQCLSA-N 2 2 246.354 2.093 20 30 BEEDLP C[NH+](C)C1(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)CCC1 ZINC000618577457 385871827 /nfs/dbraw/zinc/87/18/27/385871827.db2.gz JRCZKQQYLCARAP-CHWSQXEVSA-N 2 2 235.375 2.143 20 30 BEEDLP C=CCOc1cccc(C[NH2+]CC[NH2+]CCC)c1 ZINC000414890793 386138544 /nfs/dbraw/zinc/13/85/44/386138544.db2.gz VMYZMTKUOCUSIQ-UHFFFAOYSA-N 2 2 248.370 2.341 20 30 BEEDLP C=CC[N@@H+](CCC[NH3+])Cc1ccccc1F ZINC000414696249 386197273 /nfs/dbraw/zinc/19/72/73/386197273.db2.gz VRAMMCRSAZAEDN-UHFFFAOYSA-N 2 2 222.307 2.163 20 30 BEEDLP C=CC[N@H+](CCC[NH3+])Cc1ccccc1F ZINC000414696249 386197279 /nfs/dbraw/zinc/19/72/79/386197279.db2.gz VRAMMCRSAZAEDN-UHFFFAOYSA-N 2 2 222.307 2.163 20 30 BEEDLP C[C@@H]1CCCC[N@@H+]1CC[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000442712242 386528927 /nfs/dbraw/zinc/52/89/27/386528927.db2.gz UKKFIVQJMUDOSM-MCIONIFRSA-N 2 2 235.375 2.143 20 30 BEEDLP C[C@@H]1CCCC[N@H+]1CC[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000442712242 386528931 /nfs/dbraw/zinc/52/89/31/386528931.db2.gz UKKFIVQJMUDOSM-MCIONIFRSA-N 2 2 235.375 2.143 20 30 BEEDLP C=CCOc1ccccc1C[NH2+]C[C@@H]([NH3+])C(C)C ZINC000414787368 386535739 /nfs/dbraw/zinc/53/57/39/386535739.db2.gz CGCFMOLGRBHLSN-CQSZACIVSA-N 2 2 248.370 2.324 20 30 BEEDLP C=CC[C@H](CC)[NH2+][C@H]1C[N@H+](CC)C[C@@H]1C ZINC000336739303 386880031 /nfs/dbraw/zinc/88/00/31/386880031.db2.gz SKGPPVKPNGGTFY-AVGNSLFASA-N 2 2 210.365 2.271 20 30 BEEDLP C=CC[C@H](CC)[NH2+][C@H]1C[N@@H+](CC)C[C@@H]1C ZINC000336739303 386880035 /nfs/dbraw/zinc/88/00/35/386880035.db2.gz SKGPPVKPNGGTFY-AVGNSLFASA-N 2 2 210.365 2.271 20 30 BEEDLP CC[N@@H+]1CC[C@@H]([NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000334866434 386924209 /nfs/dbraw/zinc/92/42/09/386924209.db2.gz DYYGPJHBEDDHMM-ROKHWSDSSA-N 2 2 235.375 2.143 20 30 BEEDLP CC[N@H+]1CC[C@@H]([NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000334866434 386924213 /nfs/dbraw/zinc/92/42/13/386924213.db2.gz DYYGPJHBEDDHMM-ROKHWSDSSA-N 2 2 235.375 2.143 20 30 BEEDLP C[C@@H]([NH2+]CC[NH+]1CCCC1)c1ccc(C#N)cc1 ZINC000020126820 387075795 /nfs/dbraw/zinc/07/57/95/387075795.db2.gz LBEUNTSVXNECHU-CYBMUJFWSA-N 2 2 243.354 2.305 20 30 BEEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)[C@@H]2CC23CC3)CC1 ZINC000527859234 387757515 /nfs/dbraw/zinc/75/75/15/387757515.db2.gz ODUQMDIFAPRHQS-JSGCOSHPSA-N 2 2 234.387 2.415 20 30 BEEDLP CC(C)C[C@H](C[NH2+][C@@H]1CC[C@@H](C#N)C1)[NH+](C)C ZINC000442711250 387826859 /nfs/dbraw/zinc/82/68/59/387826859.db2.gz DTIZFPHBACOCTK-MGPQQGTHSA-N 2 2 237.391 2.245 20 30 BEEDLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000442775669 387836666 /nfs/dbraw/zinc/83/66/66/387836666.db2.gz AXZLCLWFKJNRQO-HZSPNIEDSA-N 2 2 235.375 2.143 20 30 BEEDLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000442775669 387836668 /nfs/dbraw/zinc/83/66/68/387836668.db2.gz AXZLCLWFKJNRQO-HZSPNIEDSA-N 2 2 235.375 2.143 20 30 BEEDLP C=CCC[C@@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)C1CC1 ZINC000643537211 387874656 /nfs/dbraw/zinc/87/46/56/387874656.db2.gz AZQIYLCVPCUFIU-RWMBFGLXSA-N 2 2 226.339 2.021 20 30 BEEDLP C=CCC[C@@H](CC)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643537205 387875778 /nfs/dbraw/zinc/87/57/78/387875778.db2.gz AWLRPJUVMGMOOS-TUAOUCFPSA-N 2 2 214.328 2.021 20 30 BEEDLP C=C(C)C[NH+]1CCC([NH2+]CC2(F)CC2)CC1 ZINC000309675301 388008880 /nfs/dbraw/zinc/00/88/80/388008880.db2.gz LLPZXWXWPQRKPJ-UHFFFAOYSA-N 2 2 226.339 2.119 20 30 BEEDLP C=C(C)CC[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000449480836 388215570 /nfs/dbraw/zinc/21/55/70/388215570.db2.gz ZYSBWBWIUKIYLR-YPMHNXCESA-N 2 2 208.349 2.025 20 30 BEEDLP C=C(C)CC[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000449480836 388215571 /nfs/dbraw/zinc/21/55/71/388215571.db2.gz ZYSBWBWIUKIYLR-YPMHNXCESA-N 2 2 208.349 2.025 20 30 BEEDLP C=CC(C)(C)C[NH2+][C@H]1C[N@H+](CC)C[C@H]1C ZINC000449484874 388216054 /nfs/dbraw/zinc/21/60/54/388216054.db2.gz JVSVJEMDALUTOW-NEPJUHHUSA-N 2 2 210.365 2.128 20 30 BEEDLP C=CC(C)(C)C[NH2+][C@H]1C[N@@H+](CC)C[C@H]1C ZINC000449484874 388216056 /nfs/dbraw/zinc/21/60/56/388216056.db2.gz JVSVJEMDALUTOW-NEPJUHHUSA-N 2 2 210.365 2.128 20 30 BEEDLP C=CC(C)(C)C[NH2+][C@@H]1C[N@H+](CC)C[C@@H]1C ZINC000449484875 388216437 /nfs/dbraw/zinc/21/64/37/388216437.db2.gz JVSVJEMDALUTOW-NWDGAFQWSA-N 2 2 210.365 2.128 20 30 BEEDLP C=CC(C)(C)C[NH2+][C@@H]1C[N@@H+](CC)C[C@@H]1C ZINC000449484875 388216439 /nfs/dbraw/zinc/21/64/39/388216439.db2.gz JVSVJEMDALUTOW-NWDGAFQWSA-N 2 2 210.365 2.128 20 30 BEEDLP C#CC[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000491631000 388306414 /nfs/dbraw/zinc/30/64/14/388306414.db2.gz PSVZQQMIOGKZPE-UHFFFAOYSA-N 2 2 231.343 2.009 20 30 BEEDLP C#CC[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000192221634 388676161 /nfs/dbraw/zinc/67/61/61/388676161.db2.gz OIDVQXGEMUXOID-UHFFFAOYSA-N 2 2 239.322 2.246 20 30 BEEDLP N#C[C@@H]1CC[C@H]([NH2+]Cc2c[nH+]c3n2CCCC3)C1 ZINC000551571077 388634724 /nfs/dbraw/zinc/63/47/24/388634724.db2.gz QAUMJUXXVWMAGY-NEPJUHHUSA-N 2 2 244.342 2.001 20 30 BEEDLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(C#N)o2)CC[N@@H+]1C ZINC000093644185 388745826 /nfs/dbraw/zinc/74/58/26/388745826.db2.gz KUEJTBJIJDVPCY-NEPJUHHUSA-N 2 2 247.342 2.066 20 30 BEEDLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(C#N)o2)CC[N@H+]1C ZINC000093644185 388745828 /nfs/dbraw/zinc/74/58/28/388745828.db2.gz KUEJTBJIJDVPCY-NEPJUHHUSA-N 2 2 247.342 2.066 20 30 BEEDLP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(C#N)o2)CC[NH+]1C ZINC000093644185 388745831 /nfs/dbraw/zinc/74/58/31/388745831.db2.gz KUEJTBJIJDVPCY-NEPJUHHUSA-N 2 2 247.342 2.066 20 30 BEEDLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(C#N)o2)CC[NH+]1C ZINC000093644185 388745833 /nfs/dbraw/zinc/74/58/33/388745833.db2.gz KUEJTBJIJDVPCY-NEPJUHHUSA-N 2 2 247.342 2.066 20 30 BEEDLP C[C@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc(C#N)cc1F ZINC000423266746 388689676 /nfs/dbraw/zinc/68/96/76/388689676.db2.gz CFXHVSIQBYBWSR-LKFCYVNXSA-N 2 2 247.317 2.085 20 30 BEEDLP C[C@H]([NH2+]C[C@H]1CCC[NH2+]1)c1ccc(C#N)c(F)c1 ZINC000423229795 388690089 /nfs/dbraw/zinc/69/00/89/388690089.db2.gz CBIHEXMQMNUJTK-GXFFZTMASA-N 2 2 247.317 2.100 20 30 BEEDLP CC[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1ccc(C#N)cc1 ZINC000423244047 388690210 /nfs/dbraw/zinc/69/02/10/388690210.db2.gz XDIYELUUCCUARQ-GJZGRUSLSA-N 2 2 243.354 2.351 20 30 BEEDLP C[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccc(C#N)c(F)c1 ZINC000423280217 388690426 /nfs/dbraw/zinc/69/04/26/388690426.db2.gz SMHWFXZHIRKBGJ-OTYXRUKQSA-N 2 2 247.317 2.085 20 30 BEEDLP C[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc(C#N)cc1F ZINC000423322123 388690745 /nfs/dbraw/zinc/69/07/45/388690745.db2.gz NPHHMVBAPYTKAF-XPTSAGLGSA-N 2 2 247.317 2.085 20 30 BEEDLP CCC[NH2+]CC[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000423314220 388691795 /nfs/dbraw/zinc/69/17/95/388691795.db2.gz VOCAAVIWCCRYEZ-HNNXBMFYSA-N 2 2 243.354 2.135 20 30 BEEDLP C[C@@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000423453511 388692497 /nfs/dbraw/zinc/69/24/97/388692497.db2.gz XTDZLZOBXXXNOI-UTLUCORTSA-N 2 2 235.306 2.084 20 30 BEEDLP CCCCC(N)=[NH+]OCCCn1cc[nH+]c1C ZINC000271224355 133540797 /nfs/dbraw/zinc/54/07/97/133540797.db2.gz QHGOLSJGNDLJTG-UHFFFAOYSA-N 2 2 238.335 2.061 20 30 BEEDLP C=CC[C@H](C)[C@@H](C)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000353605896 134164756 /nfs/dbraw/zinc/16/47/56/134164756.db2.gz CKPLJIIHUKGBHQ-TUAOUCFPSA-N 2 2 233.359 2.457 20 30 BEEDLP C=CC[C@H](C)[C@@H](C)[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000353605896 134164757 /nfs/dbraw/zinc/16/47/57/134164757.db2.gz CKPLJIIHUKGBHQ-TUAOUCFPSA-N 2 2 233.359 2.457 20 30 BEEDLP C=C(C)COCC[NH2+]Cc1cccc2[nH+]ccn21 ZINC000179429669 134317229 /nfs/dbraw/zinc/31/72/29/134317229.db2.gz ULIXVKNXDDZNDB-UHFFFAOYSA-N 2 2 245.326 2.017 20 30 BEEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCC[C@@H](C#N)C2)CC1 ZINC000185815090 134390997 /nfs/dbraw/zinc/39/09/97/134390997.db2.gz NLEZMRZPXDWXSN-HIFRSBDPSA-N 2 2 247.386 2.309 20 30 BEEDLP CC1CC[NH+](CC[NH2+][C@@H]2CCC[C@@H](C#N)C2)CC1 ZINC000185779464 134395059 /nfs/dbraw/zinc/39/50/59/134395059.db2.gz LGROKZGZNKMVBG-HUUCEWRRSA-N 2 2 249.402 2.390 20 30 BEEDLP N#C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)C1 ZINC000293809243 135183976 /nfs/dbraw/zinc/18/39/76/135183976.db2.gz OBHZELZJRDCXCB-FRRDWIJNSA-N 2 2 244.342 2.281 20 30 BEEDLP N#C[C@@H]1CC[C@@H]([N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)C1 ZINC000293809243 135183978 /nfs/dbraw/zinc/18/39/78/135183978.db2.gz OBHZELZJRDCXCB-FRRDWIJNSA-N 2 2 244.342 2.281 20 30 BEEDLP C=CCC[C@@H](C)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000336738370 398076446 /nfs/dbraw/zinc/07/64/46/398076446.db2.gz KCBAJBSNEASNME-NEPJUHHUSA-N 2 2 219.332 2.142 20 30 BEEDLP C=CCC[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000271219175 166263296 /nfs/dbraw/zinc/26/32/96/166263296.db2.gz JUHCCYHWYKJIGW-STQMWFEESA-N 2 2 219.332 2.342 20 30 BEEDLP C=CCC[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000271219175 166263298 /nfs/dbraw/zinc/26/32/98/166263298.db2.gz JUHCCYHWYKJIGW-STQMWFEESA-N 2 2 219.332 2.342 20 30 BEEDLP C=CC[C@H]1CCC[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000661383455 410598290 /nfs/dbraw/zinc/59/82/90/410598290.db2.gz CZKVGHJPNFCHFT-ZDUSSCGKSA-N 2 2 233.359 2.251 20 30 BEEDLP C=CC[C@H]1CCC[N@H+](CCc2c[nH+]cn2C)C1 ZINC000661383455 410598296 /nfs/dbraw/zinc/59/82/96/410598296.db2.gz CZKVGHJPNFCHFT-ZDUSSCGKSA-N 2 2 233.359 2.251 20 30 BEEDLP C=CC[C@@H]1CC[C@@H]([NH2+]CC[NH+]2CCCC2)C1 ZINC000651749804 411140905 /nfs/dbraw/zinc/14/09/05/411140905.db2.gz KFQGKBFDIIIUIZ-ZIAGYGMSSA-N 2 2 222.376 2.417 20 30 BEEDLP C=CC[C@@H]1CC[C@H]([NH2+]CC[NH+]2CCCC2)C1 ZINC000651749802 411141062 /nfs/dbraw/zinc/14/10/62/411141062.db2.gz KFQGKBFDIIIUIZ-KGLIPLIRSA-N 2 2 222.376 2.417 20 30 BEEDLP CC1CC[NH+](CC[NH2+]C2CCC(C#N)CC2)CC1 ZINC000602516232 411296331 /nfs/dbraw/zinc/29/63/31/411296331.db2.gz WKOHLKDYWPWVRP-UHFFFAOYSA-N 2 2 249.402 2.390 20 30 BEEDLP C[C@H](CCC#N)C[NH2+]CC[NH+]1CCC(C)CC1 ZINC000602516341 411296419 /nfs/dbraw/zinc/29/64/19/411296419.db2.gz ZHVUUQOBIHNJAK-CQSZACIVSA-N 2 2 237.391 2.248 20 30 BEEDLP CC[N@H+](CCn1cc[nH+]c1)[C@H](C)CCCC#N ZINC001172510064 974864859 /nfs/dbraw/zinc/86/48/59/974864859.db2.gz VADVIQHEOBSGFH-CYBMUJFWSA-N 2 2 234.347 2.287 20 30 BEEDLP CC[N@@H+](CCn1cc[nH+]c1)[C@H](C)CCCC#N ZINC001172510064 974864863 /nfs/dbraw/zinc/86/48/63/974864863.db2.gz VADVIQHEOBSGFH-CYBMUJFWSA-N 2 2 234.347 2.287 20 30 BEEDLP C[C@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1ccc(C#N)cc1 ZINC000335498478 487819922 /nfs/dbraw/zinc/81/99/22/487819922.db2.gz NMXFXTATHQIWQX-SWLSCSKDSA-N 2 2 243.354 2.351 20 30 BEEDLP C=C(C)C[N@@H+](C)Cc1ccnn1-c1cc[nH+]cc1 ZINC000667943349 488164604 /nfs/dbraw/zinc/16/46/04/488164604.db2.gz KTSOFJAULKDGHB-UHFFFAOYSA-N 2 2 242.326 2.275 20 30 BEEDLP C=C(C)C[N@H+](C)Cc1ccnn1-c1cc[nH+]cc1 ZINC000667943349 488164608 /nfs/dbraw/zinc/16/46/08/488164608.db2.gz KTSOFJAULKDGHB-UHFFFAOYSA-N 2 2 242.326 2.275 20 30 BEEDLP C=C(CC)C[N@H+](C)CCCn1cc[nH+]c1 ZINC000341157153 534370829 /nfs/dbraw/zinc/37/08/29/534370829.db2.gz IKEIPBJQSYWOTE-UHFFFAOYSA-N 2 2 207.321 2.171 20 30 BEEDLP C=C(CC)C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000341157153 534370837 /nfs/dbraw/zinc/37/08/37/534370837.db2.gz IKEIPBJQSYWOTE-UHFFFAOYSA-N 2 2 207.321 2.171 20 30 BEEDLP C=CCC[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+]1CC ZINC000102232195 518710793 /nfs/dbraw/zinc/71/07/93/518710793.db2.gz XMDBXXDNGCAQLL-OLZOCXBDSA-N 2 2 210.365 2.415 20 30 BEEDLP C=CCC[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1CC ZINC000102232195 518710798 /nfs/dbraw/zinc/71/07/98/518710798.db2.gz XMDBXXDNGCAQLL-OLZOCXBDSA-N 2 2 210.365 2.415 20 30 BEEDLP CC(C)CC[NH+]1CCC([NH2+]CCC#N)CC1 ZINC000894084805 583295941 /nfs/dbraw/zinc/29/59/41/583295941.db2.gz WAKYRRMWWKLVCP-UHFFFAOYSA-N 2 2 223.364 2.000 20 30 BEEDLP C=CCOc1cccc(C[NH2+][C@H]2CC[N@@H+](C)C2)c1 ZINC000729682558 584022597 /nfs/dbraw/zinc/02/25/97/584022597.db2.gz VDOPEHVIAPBJAF-AWEZNQCLSA-N 2 2 246.354 2.045 20 30 BEEDLP C=CCOc1cccc(C[NH2+][C@H]2CC[N@H+](C)C2)c1 ZINC000729682558 584022598 /nfs/dbraw/zinc/02/25/98/584022598.db2.gz VDOPEHVIAPBJAF-AWEZNQCLSA-N 2 2 246.354 2.045 20 30 BEEDLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000898314330 584110828 /nfs/dbraw/zinc/11/08/28/584110828.db2.gz USTMJSLOLCKAIC-IHRRRGAJSA-N 2 2 237.391 2.245 20 30 BEEDLP C=CC(C)(C)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000898460556 584138026 /nfs/dbraw/zinc/13/80/26/584138026.db2.gz OELYDIJXVDMXBZ-UHFFFAOYSA-N 2 2 239.388 2.259 20 30 BEEDLP C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@@H]1C ZINC000903302059 584744494 /nfs/dbraw/zinc/74/44/94/584744494.db2.gz YFBJIZHPRFJJKC-WUHRBBMRSA-N 2 2 210.365 2.269 20 30 BEEDLP C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000903302059 584744496 /nfs/dbraw/zinc/74/44/96/584744496.db2.gz YFBJIZHPRFJJKC-WUHRBBMRSA-N 2 2 210.365 2.269 20 30 BEEDLP C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H]2C)C1 ZINC000903301306 584744504 /nfs/dbraw/zinc/74/45/04/584744504.db2.gz QCIZJDQDKPMWEQ-RFQIPJPRSA-N 2 2 222.376 2.413 20 30 BEEDLP C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H]2C)C1 ZINC000903301306 584744506 /nfs/dbraw/zinc/74/45/06/584744506.db2.gz QCIZJDQDKPMWEQ-RFQIPJPRSA-N 2 2 222.376 2.413 20 30 BEEDLP C[C@H]1[C@H]([NH2+]C2CCC(C)(C#N)CC2)CC[N@@H+]1C ZINC000903301801 584744751 /nfs/dbraw/zinc/74/47/51/584744751.db2.gz UJTYIDFMSIFACN-RJZJGCCBSA-N 2 2 235.375 2.141 20 30 BEEDLP C[C@H]1[C@H]([NH2+]C2CCC(C)(C#N)CC2)CC[N@H+]1C ZINC000903301801 584744752 /nfs/dbraw/zinc/74/47/52/584744752.db2.gz UJTYIDFMSIFACN-RJZJGCCBSA-N 2 2 235.375 2.141 20 30 BEEDLP C=CC[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](C)[C@H]2C)C1 ZINC000903301304 584744856 /nfs/dbraw/zinc/74/48/56/584744856.db2.gz QCIZJDQDKPMWEQ-CRWXNKLISA-N 2 2 222.376 2.413 20 30 BEEDLP C=CC[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@H]2C)C1 ZINC000903301304 584744857 /nfs/dbraw/zinc/74/48/57/584744857.db2.gz QCIZJDQDKPMWEQ-CRWXNKLISA-N 2 2 222.376 2.413 20 30 BEEDLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000774212454 585028053 /nfs/dbraw/zinc/02/80/53/585028053.db2.gz XHBCKEHRWNOTEI-MGPQQGTHSA-N 2 2 235.375 2.143 20 30 BEEDLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000774212454 585028054 /nfs/dbraw/zinc/02/80/54/585028054.db2.gz XHBCKEHRWNOTEI-MGPQQGTHSA-N 2 2 235.375 2.143 20 30 BEEDLP C=CC[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@H]1C)c1ccncc1 ZINC000766020450 585496103 /nfs/dbraw/zinc/49/61/03/585496103.db2.gz PVLGECOCKJIEIP-VHDGCEQUSA-N 2 2 245.370 2.239 20 30 BEEDLP C=CC[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@H]1C)c1ccncc1 ZINC000766020450 585496104 /nfs/dbraw/zinc/49/61/04/585496104.db2.gz PVLGECOCKJIEIP-VHDGCEQUSA-N 2 2 245.370 2.239 20 30 BEEDLP CC[N@@H+]1CC[C@@H]([NH2+]CC2(C#N)CCC2)[C@H](C)C1 ZINC000841898939 587982806 /nfs/dbraw/zinc/98/28/06/587982806.db2.gz QRORIJFJLZKRGU-CHWSQXEVSA-N 2 2 235.375 2.000 20 30 BEEDLP CC[N@H+]1CC[C@@H]([NH2+]CC2(C#N)CCC2)[C@H](C)C1 ZINC000841898939 587982808 /nfs/dbraw/zinc/98/28/08/587982808.db2.gz QRORIJFJLZKRGU-CHWSQXEVSA-N 2 2 235.375 2.000 20 30 BEEDLP C#CC[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1ccccc1 ZINC000844313429 588183830 /nfs/dbraw/zinc/18/38/30/588183830.db2.gz RMSWYYUCCFJVLO-HZPDHXFCSA-N 2 2 242.366 2.435 20 30 BEEDLP C#CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000844313429 588183832 /nfs/dbraw/zinc/18/38/32/588183832.db2.gz RMSWYYUCCFJVLO-HZPDHXFCSA-N 2 2 242.366 2.435 20 30 BEEDLP C=CC[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](C)C2)C1 ZINC000845934500 588250672 /nfs/dbraw/zinc/25/06/72/588250672.db2.gz BVNGPZWKSGJENF-AGIUHOORSA-N 2 2 208.349 2.025 20 30 BEEDLP C=CC[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](C)C2)C1 ZINC000845934500 588250673 /nfs/dbraw/zinc/25/06/73/588250673.db2.gz BVNGPZWKSGJENF-AGIUHOORSA-N 2 2 208.349 2.025 20 30 BEEDLP C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)C2)C1 ZINC000845934501 588250755 /nfs/dbraw/zinc/25/07/55/588250755.db2.gz BVNGPZWKSGJENF-FRRDWIJNSA-N 2 2 208.349 2.025 20 30 BEEDLP C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](C)C2)C1 ZINC000845934501 588250756 /nfs/dbraw/zinc/25/07/56/588250756.db2.gz BVNGPZWKSGJENF-FRRDWIJNSA-N 2 2 208.349 2.025 20 30 BEEDLP C#CCCCC[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000120540695 589434468 /nfs/dbraw/zinc/43/44/68/589434468.db2.gz ULOQJVXOJJSKRD-QWHCGFSZSA-N 2 2 220.360 2.005 20 30 BEEDLP C#CCCCC[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000120540695 589434470 /nfs/dbraw/zinc/43/44/70/589434470.db2.gz ULOQJVXOJJSKRD-QWHCGFSZSA-N 2 2 220.360 2.005 20 30 BEEDLP C[C@H](CCC#N)C[NH2+]C[C@H](C)[NH+]1CCCCC1 ZINC000876956596 590260927 /nfs/dbraw/zinc/26/09/27/590260927.db2.gz LPFYTJXRSHTTBZ-KGLIPLIRSA-N 2 2 237.391 2.390 20 30 BEEDLP C#CCCCCCC[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000876961550 590261612 /nfs/dbraw/zinc/26/16/12/590261612.db2.gz HTWYCKBZOUUVLS-AWEZNQCLSA-N 2 2 222.376 2.254 20 30 BEEDLP C#CCCCCCC[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000876961550 590261614 /nfs/dbraw/zinc/26/16/14/590261614.db2.gz HTWYCKBZOUUVLS-AWEZNQCLSA-N 2 2 222.376 2.254 20 30 BEEDLP C[C@@H]1CCC[N@@H+]1CC[NH2+]C1CCC(C#N)CC1 ZINC000877153405 590293032 /nfs/dbraw/zinc/29/30/32/590293032.db2.gz HVIXWQXAHGKCHC-IYXRBSQSSA-N 2 2 235.375 2.143 20 30 BEEDLP C[C@@H]1CCC[N@H+]1CC[NH2+]C1CCC(C#N)CC1 ZINC000877153405 590293033 /nfs/dbraw/zinc/29/30/33/590293033.db2.gz HVIXWQXAHGKCHC-IYXRBSQSSA-N 2 2 235.375 2.143 20 30 BEEDLP C=CC[C@H](C)[NH+]1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000878197325 590523231 /nfs/dbraw/zinc/52/32/31/590523231.db2.gz GGVJCRKNMVBKDT-AWEZNQCLSA-N 2 2 245.370 2.477 20 30 BEEDLP C=CC[C@@H](C)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000878302568 590539018 /nfs/dbraw/zinc/53/90/18/590539018.db2.gz QVEJNZCGIWLALY-NEPJUHHUSA-N 2 2 219.332 2.174 20 30 BEEDLP C=CC[C@@H](C)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000878302568 590539020 /nfs/dbraw/zinc/53/90/20/590539020.db2.gz QVEJNZCGIWLALY-NEPJUHHUSA-N 2 2 219.332 2.174 20 30 BEEDLP CC#CC[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880572191 591098070 /nfs/dbraw/zinc/09/80/70/591098070.db2.gz YDDZNAZVOORPCQ-OAHLLOKOSA-N 2 2 239.322 2.237 20 30 BEEDLP N#CC1(C[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)CCCCC1 ZINC000925711647 634412172 /nfs/dbraw/zinc/41/21/72/634412172.db2.gz ZGQAZQOAXSVFSE-QWHCGFSZSA-N 2 2 247.386 2.320 20 30 BEEDLP C=C(C)COCC[NH2+][C@@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925617227 634167866 /nfs/dbraw/zinc/16/78/66/634167866.db2.gz BVLPXNPYUBDJHM-UKRRQHHQSA-N 2 2 248.370 2.257 20 30 BEEDLP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H](C)CC(C)(C)C#N)C1 ZINC000924746998 637071449 /nfs/dbraw/zinc/07/14/49/637071449.db2.gz HTNPNIGORMNSQT-QWHCGFSZSA-N 2 2 237.391 2.389 20 30 BEEDLP CC[N@H+]1CCC[C@@H]([NH2+][C@@H](C)CC(C)(C)C#N)C1 ZINC000924746998 637071454 /nfs/dbraw/zinc/07/14/54/637071454.db2.gz HTNPNIGORMNSQT-QWHCGFSZSA-N 2 2 237.391 2.389 20 30 BEEDLP CCC#C[C@@H](C)[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931311395 640147538 /nfs/dbraw/zinc/14/75/38/640147538.db2.gz MWCRBLRGFPGSIH-KFWWJZLASA-N 2 2 234.387 2.062 20 30 BEEDLP CCC#C[C@@H](C)[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931311395 640147542 /nfs/dbraw/zinc/14/75/42/640147542.db2.gz MWCRBLRGFPGSIH-KFWWJZLASA-N 2 2 234.387 2.062 20 30 BEEDLP CCC#C[C@@H](C)[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC000931311395 640147544 /nfs/dbraw/zinc/14/75/44/640147544.db2.gz MWCRBLRGFPGSIH-KFWWJZLASA-N 2 2 234.387 2.062 20 30 BEEDLP CCC#C[C@@H](C)[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC000931311395 640147548 /nfs/dbraw/zinc/14/75/48/640147548.db2.gz MWCRBLRGFPGSIH-KFWWJZLASA-N 2 2 234.387 2.062 20 30 BEEDLP C=CC[NH+]1CCC([NH2+]Cc2ccoc2)CC1 ZINC000163926818 640431676 /nfs/dbraw/zinc/43/16/76/640431676.db2.gz OHNXOYKNSPYIMQ-UHFFFAOYSA-N 2 2 220.316 2.020 20 30 BEEDLP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H](C#N)C1 ZINC000932152786 640443176 /nfs/dbraw/zinc/44/31/76/640443176.db2.gz UODBABDISOJMGN-AWEZNQCLSA-N 2 2 246.358 2.207 20 30 BEEDLP C#CCC1([NH2+]CCn2cc[nH+]c2)CCCCC1 ZINC000933265002 642433485 /nfs/dbraw/zinc/43/34/85/642433485.db2.gz OKPACVVEPAEYRH-UHFFFAOYSA-N 2 2 231.343 2.199 20 30 BEEDLP C=CCCCCC[C@H](C)[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000817984181 644995018 /nfs/dbraw/zinc/99/50/18/644995018.db2.gz VTLHVIDRXXSGSW-UONOGXRCSA-N 2 2 240.391 2.089 20 30 BEEDLP C#CCCCC[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000925526728 646318311 /nfs/dbraw/zinc/31/83/11/646318311.db2.gz KVZGQWCNSDRYPR-GJZGRUSLSA-N 2 2 234.387 2.396 20 30 BEEDLP C#CCCCC[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000925526728 646318315 /nfs/dbraw/zinc/31/83/15/646318315.db2.gz KVZGQWCNSDRYPR-GJZGRUSLSA-N 2 2 234.387 2.396 20 30 BEEDLP C=C(C[NH2+][C@@H]1CCC[NH2+][C@@H]1C)c1ccccc1 ZINC000925636202 646379887 /nfs/dbraw/zinc/37/98/87/646379887.db2.gz RRDRDNAZQPXIKB-UKRRQHHQSA-N 2 2 230.355 2.430 20 30 BEEDLP CCCCCCC[N@H+](C)CC[NH2+]CC ZINC000109914026 1166062580 /nfs/dbraw/zinc/06/25/80/1166062580.db2.gz AZBACCQTQGYOBE-UHFFFAOYSA-N 2 2 200.370 2.498 20 30 BEEDLP CCCCCCC[N@@H+](C)CC[NH2+]CC ZINC000109914026 1166062586 /nfs/dbraw/zinc/06/25/86/1166062586.db2.gz AZBACCQTQGYOBE-UHFFFAOYSA-N 2 2 200.370 2.498 20 30 BEEDLP CCCC[N@H+](CC#N)CC1CC[NH+](CC)CC1 ZINC001208601222 969155494 /nfs/dbraw/zinc/15/54/94/969155494.db2.gz KOBUFKXECGXISJ-UHFFFAOYSA-N 2 2 237.391 2.344 20 30 BEEDLP CCCC[N@@H+](CC#N)CC1CC[NH+](CC)CC1 ZINC001208601222 969155496 /nfs/dbraw/zinc/15/54/96/969155496.db2.gz KOBUFKXECGXISJ-UHFFFAOYSA-N 2 2 237.391 2.344 20 30 BEEDLP C=CCCCC[N@@H+]1CCn2c(C)[nH+]cc2C1 ZINC001209201183 969388137 /nfs/dbraw/zinc/38/81/37/969388137.db2.gz WITZFNIMOXTPCW-UHFFFAOYSA-N 2 2 219.332 2.363 20 30 BEEDLP C=CCCCC[N@H+]1CCn2c(C)[nH+]cc2C1 ZINC001209201183 969388141 /nfs/dbraw/zinc/38/81/41/969388141.db2.gz WITZFNIMOXTPCW-UHFFFAOYSA-N 2 2 219.332 2.363 20 30 BEEDLP Cc1[nH+]cc2n1CC[N@H+](C1CCC(C#N)CC1)C2 ZINC001256963771 971039438 /nfs/dbraw/zinc/03/94/38/971039438.db2.gz LYPNSEVSLQVNNW-UHFFFAOYSA-N 2 2 244.342 2.090 20 30 BEEDLP Cc1[nH+]cc2n1CC[N@@H+](C1CCC(C#N)CC1)C2 ZINC001256963771 971039444 /nfs/dbraw/zinc/03/94/44/971039444.db2.gz LYPNSEVSLQVNNW-UHFFFAOYSA-N 2 2 244.342 2.090 20 30 BEEDLP CC[N@H+]([C@@H]1CC[C@@H](C#N)C1)C1CC[NH+](C)CC1 ZINC001254669742 1169818161 /nfs/dbraw/zinc/81/81/61/1169818161.db2.gz UQHIVIFYIVJXQP-TZMCWYRMSA-N 2 2 235.375 2.095 20 30 BEEDLP CC[N@@H+]([C@@H]1CC[C@@H](C#N)C1)C1CC[NH+](C)CC1 ZINC001254669742 1169818174 /nfs/dbraw/zinc/81/81/74/1169818174.db2.gz UQHIVIFYIVJXQP-TZMCWYRMSA-N 2 2 235.375 2.095 20 30 BEEDLP CC[C@H](CC#N)[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000715561486 967184473 /nfs/dbraw/zinc/18/44/73/967184473.db2.gz LFNOFHPRGWRZIJ-JHJVBQTASA-N 2 2 223.364 2.141 20 30 BEEDLP CCCCCCCCCC[N@@H+]1C[C@@H]([NH3+])[C@H](O)C1 ZINC001205339090 967548964 /nfs/dbraw/zinc/54/89/64/967548964.db2.gz DVHHLNGWSIJHKX-ZIAGYGMSSA-N 2 2 242.407 2.131 20 30 BEEDLP CCCCCCCCCC[N@H+]1C[C@@H]([NH3+])[C@H](O)C1 ZINC001205339090 967548975 /nfs/dbraw/zinc/54/89/75/967548975.db2.gz DVHHLNGWSIJHKX-ZIAGYGMSSA-N 2 2 242.407 2.131 20 30 BEEDLP C[NH+](C)CC(C)(C)CNc1ccc(CC#N)c[nH+]1 ZINC001168762432 968022378 /nfs/dbraw/zinc/02/23/78/968022378.db2.gz JMLVDACEQPEYML-UHFFFAOYSA-N 2 2 246.358 2.147 20 30 BEEDLP C=CCCC[N@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001206337748 968232528 /nfs/dbraw/zinc/23/25/28/968232528.db2.gz WIDGYPCCNDIQKL-GFCCVEGCSA-N 2 2 214.328 2.106 20 30 BEEDLP C=CCCC[N@@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001206337748 968232538 /nfs/dbraw/zinc/23/25/38/968232538.db2.gz WIDGYPCCNDIQKL-GFCCVEGCSA-N 2 2 214.328 2.106 20 30 BEEDLP CC[NH+]1CCC([NH+]2CCC(C)(C#N)CC2)CC1 ZINC001169264578 969520674 /nfs/dbraw/zinc/52/06/74/969520674.db2.gz IURYGVXPTUYHAY-UHFFFAOYSA-N 2 2 235.375 2.096 20 30 BEEDLP C[N@@H+]1CCC[C@H]([NH2+]Cc2ccccc2C#N)CC1 ZINC001254500993 969660943 /nfs/dbraw/zinc/66/09/43/969660943.db2.gz NTHGSLFMKITCCT-HNNXBMFYSA-N 2 2 243.354 2.132 20 30 BEEDLP C[N@H+]1CCC[C@H]([NH2+]Cc2ccccc2C#N)CC1 ZINC001254500993 969660954 /nfs/dbraw/zinc/66/09/54/969660954.db2.gz NTHGSLFMKITCCT-HNNXBMFYSA-N 2 2 243.354 2.132 20 30 BEEDLP N#C[C@H]1CC[C@@H]([NH2+][C@@H]2CC3CC[NH+](CC3)C2)CC1 ZINC001254839592 969801017 /nfs/dbraw/zinc/80/10/17/969801017.db2.gz TYOKSXQUCUOGQN-QLFBSQMISA-N 2 2 247.386 2.143 20 30 BEEDLP CC[C@H](CC#N)[NH2+][C@H](C)CC[NH+](CC)CC ZINC001255946523 970580884 /nfs/dbraw/zinc/58/08/84/970580884.db2.gz AQLUZZFJYMRFNF-CHWSQXEVSA-N 2 2 225.380 2.389 20 30 BEEDLP CC[NH+](CC)CC[C@@H](C)[NH+]1CCC(C#N)CC1 ZINC001255955482 970588626 /nfs/dbraw/zinc/58/86/26/970588626.db2.gz UTUROUVODJTQTP-CYBMUJFWSA-N 2 2 237.391 2.342 20 30 BEEDLP C[C@@H](CCCC#N)[N@@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001246584645 972963204 /nfs/dbraw/zinc/96/32/04/972963204.db2.gz XWIWJDYDCJAWKK-STQMWFEESA-N 2 2 241.354 2.222 20 30 BEEDLP C[C@@H](CCCC#N)[N@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001246584645 972963212 /nfs/dbraw/zinc/96/32/12/972963212.db2.gz XWIWJDYDCJAWKK-STQMWFEESA-N 2 2 241.354 2.222 20 30 BEEDLP C[C@@H](CCCC#N)[NH2+]CC[NH+]1CCCCC1 ZINC001172476214 974773210 /nfs/dbraw/zinc/77/32/10/974773210.db2.gz IZXGLMABHCPTNY-ZDUSSCGKSA-N 2 2 223.364 2.144 20 30 BEEDLP CCCC[N@H+](C)CC[NH2+][C@@H](C)CCCC#N ZINC001172481526 974780917 /nfs/dbraw/zinc/78/09/17/974780917.db2.gz VTQMWHXNYCZNIH-ZDUSSCGKSA-N 2 2 225.380 2.390 20 30 BEEDLP CCCC[N@@H+](C)CC[NH2+][C@@H](C)CCCC#N ZINC001172481526 974780923 /nfs/dbraw/zinc/78/09/23/974780923.db2.gz VTQMWHXNYCZNIH-ZDUSSCGKSA-N 2 2 225.380 2.390 20 30 BEEDLP C[C@@H](CCCC#N)[NH2+][C@@H](C)C[NH+]1CCCC1 ZINC001172481254 974781754 /nfs/dbraw/zinc/78/17/54/974781754.db2.gz RPLTYRMPTDCBBK-STQMWFEESA-N 2 2 223.364 2.143 20 30 BEEDLP C[C@@H](CCCC#N)[NH2+]CCOc1cc[nH+]cc1 ZINC001172490630 974836843 /nfs/dbraw/zinc/83/68/43/974836843.db2.gz JGTUZCIXIQUPOD-LBPRGKRZSA-N 2 2 233.315 2.132 20 30 BEEDLP C[C@@H](CCCC#N)[N@H+](C)C1CC[NH+](C)CC1 ZINC001172493085 974841889 /nfs/dbraw/zinc/84/18/89/974841889.db2.gz WEOBIOXDSOBSRK-LBPRGKRZSA-N 2 2 223.364 2.095 20 30 BEEDLP C[C@@H](CCCC#N)[N@@H+](C)C1CC[NH+](C)CC1 ZINC001172493085 974841891 /nfs/dbraw/zinc/84/18/91/974841891.db2.gz WEOBIOXDSOBSRK-LBPRGKRZSA-N 2 2 223.364 2.095 20 30 BEEDLP CC1(C#N)CCC(n2cc[nH+]c2CC[NH3+])CC1 ZINC001173584740 975422852 /nfs/dbraw/zinc/42/28/52/975422852.db2.gz JONFGRRHJXAVGD-UHFFFAOYSA-N 2 2 232.331 2.029 20 30 BEEDLP Cn1cc[nH+]c1CC[NH2+]C1CCC(C)(C#N)CC1 ZINC001173592188 975446038 /nfs/dbraw/zinc/44/60/38/975446038.db2.gz JMXXCIPINJBKFT-UHFFFAOYSA-N 2 2 246.358 2.025 20 30 BEEDLP C#Cc1cc(Nc2cc(C)[nH+]c(C)c2)cc[nH+]1 ZINC001176052052 977896812 /nfs/dbraw/zinc/89/68/12/977896812.db2.gz MDGASOCXFBPSRZ-UHFFFAOYSA-N 2 2 223.279 2.240 20 30 BEEDLP C=CCCCCC[N@@H+]1CC[C@H]2[NH2+]CC[C@H]21 ZINC001235072791 978968767 /nfs/dbraw/zinc/96/87/67/978968767.db2.gz LMWCEYTVGXDRSQ-CHWSQXEVSA-N 2 2 208.349 2.169 20 30 BEEDLP C=CCCCCC[N@H+]1CC[C@H]2[NH2+]CC[C@H]21 ZINC001235072791 978968775 /nfs/dbraw/zinc/96/87/75/978968775.db2.gz LMWCEYTVGXDRSQ-CHWSQXEVSA-N 2 2 208.349 2.169 20 30 BEEDLP C=C(C)[C@@H]1CC=C(C[N@@H+]2C[C@@H]3C[C@]3([NH3+])C2)CC1 ZINC001235146940 978980564 /nfs/dbraw/zinc/98/05/64/978980564.db2.gz ONMSSIFTZISPCW-ILXRZTDVSA-N 2 2 232.371 2.322 20 30 BEEDLP C=C(C)[C@@H]1CC=C(C[N@H+]2C[C@@H]3C[C@]3([NH3+])C2)CC1 ZINC001235146940 978980567 /nfs/dbraw/zinc/98/05/67/978980567.db2.gz ONMSSIFTZISPCW-ILXRZTDVSA-N 2 2 232.371 2.322 20 30 BEEDLP C#Cc1ccc(C[N@@H+](C)[C@]2(C)CCC[NH2+]C2)cc1 ZINC001236207459 979449206 /nfs/dbraw/zinc/44/92/06/979449206.db2.gz QBWZKOSCIFGPQV-MRXNPFEDSA-N 2 2 242.366 2.242 20 30 BEEDLP C#Cc1ccc(C[N@H+](C)[C@]2(C)CCC[NH2+]C2)cc1 ZINC001236207459 979449212 /nfs/dbraw/zinc/44/92/12/979449212.db2.gz QBWZKOSCIFGPQV-MRXNPFEDSA-N 2 2 242.366 2.242 20 30 BEEDLP C=CCc1cccc(C[N@H+]2CCC[C@@H]2C[NH3+])c1O ZINC001236245865 979467894 /nfs/dbraw/zinc/46/78/94/979467894.db2.gz RSPNMWOOITXABI-CQSZACIVSA-N 2 2 246.354 2.044 20 30 BEEDLP C=CCc1cccc(C[N@@H+]2CCC[C@@H]2C[NH3+])c1O ZINC001236245865 979467898 /nfs/dbraw/zinc/46/78/98/979467898.db2.gz RSPNMWOOITXABI-CQSZACIVSA-N 2 2 246.354 2.044 20 30 BEEDLP CCCCCCC[N@H+](CCOC)[C@H]1CC[NH2+]C1 ZINC001236334403 979535296 /nfs/dbraw/zinc/53/52/96/979535296.db2.gz PEALJNGHJVIBHW-AWEZNQCLSA-N 2 2 242.407 2.267 20 30 BEEDLP CCCCCCC[N@@H+](CCOC)[C@H]1CC[NH2+]C1 ZINC001236334403 979535307 /nfs/dbraw/zinc/53/53/07/979535307.db2.gz PEALJNGHJVIBHW-AWEZNQCLSA-N 2 2 242.407 2.267 20 30 BEEDLP CCCCCCCC[N@@H+]1C[C@@H]([NH3+])C2(COC2)C1 ZINC001237172211 979827992 /nfs/dbraw/zinc/82/79/92/979827992.db2.gz DQMAHLJDWUSHIS-CYBMUJFWSA-N 2 2 240.391 2.006 20 30 BEEDLP CCCCCCCC[N@H+]1C[C@@H]([NH3+])C2(COC2)C1 ZINC001237172211 979827995 /nfs/dbraw/zinc/82/79/95/979827995.db2.gz DQMAHLJDWUSHIS-CYBMUJFWSA-N 2 2 240.391 2.006 20 30 BEEDLP Cn1c[nH+]cc1C1CC[NH+](CCCCC#N)CC1 ZINC001198768424 982832888 /nfs/dbraw/zinc/83/28/88/982832888.db2.gz HJZZSVUUFWRKJZ-UHFFFAOYSA-N 2 2 246.358 2.293 20 30 BEEDLP C=CCCC[N@@H+]1CCC[NH+]2CCC[C@H]2C1 ZINC000379778749 986681070 /nfs/dbraw/zinc/68/10/70/986681070.db2.gz BHGLFGBVHXWYAA-ZDUSSCGKSA-N 2 2 208.349 2.123 20 30 BEEDLP C=CCCC[N@H+]1CCC[NH+]2CCC[C@H]2C1 ZINC000379778749 986681076 /nfs/dbraw/zinc/68/10/76/986681076.db2.gz BHGLFGBVHXWYAA-ZDUSSCGKSA-N 2 2 208.349 2.123 20 30 BEEDLP C=CCCC[NH+]1CCC[N@@H+]2CCC[C@H]2C1 ZINC000379778749 986681082 /nfs/dbraw/zinc/68/10/82/986681082.db2.gz BHGLFGBVHXWYAA-ZDUSSCGKSA-N 2 2 208.349 2.123 20 30 BEEDLP C=CCCC[NH+]1CCC[N@H+]2CCC[C@H]2C1 ZINC000379778749 986681088 /nfs/dbraw/zinc/68/10/88/986681088.db2.gz BHGLFGBVHXWYAA-ZDUSSCGKSA-N 2 2 208.349 2.123 20 30 BEEDLP C[N@H+](C1CC1)C1CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC001254672475 986721858 /nfs/dbraw/zinc/72/18/58/986721858.db2.gz BOVGDUGOMLFLAP-SWLSCSKDSA-N 2 2 247.386 2.237 20 30 BEEDLP C[N@@H+](C1CC1)C1CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC001254672475 986721864 /nfs/dbraw/zinc/72/18/64/986721864.db2.gz BOVGDUGOMLFLAP-SWLSCSKDSA-N 2 2 247.386 2.237 20 30 BEEDLP C=CCCCCCC[C@@H](O)C[N@H+](CC)CC[NH3+] ZINC001246051713 987345517 /nfs/dbraw/zinc/34/55/17/987345517.db2.gz KAONLIIJTXRNPP-CQSZACIVSA-N 2 2 242.407 2.155 20 30 BEEDLP C=CCCCCCC[C@@H](O)C[N@@H+](CC)CC[NH3+] ZINC001246051713 987345519 /nfs/dbraw/zinc/34/55/19/987345519.db2.gz KAONLIIJTXRNPP-CQSZACIVSA-N 2 2 242.407 2.155 20 30 BEEDLP CCCCCCC[C@H](CC)[NH2+][C@@H]1C[NH2+]C[C@@H]1O ZINC001246098693 987415623 /nfs/dbraw/zinc/41/56/23/987415623.db2.gz CYNSVVYRHZHPII-MJBXVCDLSA-N 2 2 242.407 2.048 20 30 BEEDLP CCCCCCC[C@@H](CC)[NH2+][C@@H]1C[NH2+]C[C@H]1O ZINC001246112152 987446821 /nfs/dbraw/zinc/44/68/21/987446821.db2.gz CYNSVVYRHZHPII-MGPQQGTHSA-N 2 2 242.407 2.048 20 30 BEEDLP C[C@H]([NH2+][C@H]1CC[C@H](C)[NH2+]C1)c1cccc(C#N)c1 ZINC001246202146 987599298 /nfs/dbraw/zinc/59/92/98/987599298.db2.gz RXGWUBMHHWPHRI-HUBLWGQQSA-N 2 2 243.354 2.349 20 30 BEEDLP CCCCCCC[C@H](C)[N@@H+]1C[C@@H]([NH3+])C[C@H](O)C1 ZINC001246538631 987898665 /nfs/dbraw/zinc/89/86/65/987898665.db2.gz IKKROQPKLMRMHA-IHRRRGAJSA-N 2 2 242.407 2.129 20 30 BEEDLP CCCCCCC[C@H](C)[N@H+]1C[C@@H]([NH3+])C[C@H](O)C1 ZINC001246538631 987898673 /nfs/dbraw/zinc/89/86/73/987898673.db2.gz IKKROQPKLMRMHA-IHRRRGAJSA-N 2 2 242.407 2.129 20 30 BEEDLP CC[C@@H](CC#N)[N@@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001246578757 988095909 /nfs/dbraw/zinc/09/59/09/988095909.db2.gz BXXCTNYMRACZOA-QWHCGFSZSA-N 2 2 223.364 2.130 20 30 BEEDLP CC[C@@H](CC#N)[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001246578757 988095923 /nfs/dbraw/zinc/09/59/23/988095923.db2.gz BXXCTNYMRACZOA-QWHCGFSZSA-N 2 2 223.364 2.130 20 30 BEEDLP N#CCC[N@@H+](C1CCCC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246770658 988454218 /nfs/dbraw/zinc/45/42/18/988454218.db2.gz QWOWBHZXVLETHA-NNQSOWQGSA-N 2 2 247.386 2.428 20 30 BEEDLP N#CCC[N@H+](C1CCCC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246770658 988454213 /nfs/dbraw/zinc/45/42/13/988454213.db2.gz QWOWBHZXVLETHA-NNQSOWQGSA-N 2 2 247.386 2.428 20 30 BEEDLP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCC[C@H]1C#N ZINC001258907616 991891630 /nfs/dbraw/zinc/89/16/30/991891630.db2.gz LKPSLKSPOOMMEI-KBPBESRZSA-N 2 2 237.391 2.485 20 30 BEEDLP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@H]1C#N ZINC001258907616 991891634 /nfs/dbraw/zinc/89/16/34/991891634.db2.gz LKPSLKSPOOMMEI-KBPBESRZSA-N 2 2 237.391 2.485 20 30 BEEDLP C#Cc1ccc(C[NH2+]C[C@H]2CCCCC[NH2+]2)cc1 ZINC001574757320 992898161 /nfs/dbraw/zinc/89/81/61/992898161.db2.gz LHXXIOVUGNIMJT-MRXNPFEDSA-N 2 2 242.366 2.290 20 30 BEEDLP C#Cc1cccc(C[NH2+][C@@H]2CC[NH2+]C23CCC3)c1 ZINC001574766039 992899533 /nfs/dbraw/zinc/89/95/33/992899533.db2.gz LZKCSJKSOUQHQN-OAHLLOKOSA-N 2 2 240.350 2.042 20 30 BEEDLP C=CCC[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC001574915960 992944021 /nfs/dbraw/zinc/94/40/21/992944021.db2.gz NBJQNUDXDRWIQH-HUUCEWRRSA-N 2 2 230.355 2.298 20 30 BEEDLP CC[NH+](CC)C1CC[NH+]([C@@H](C)CCC#N)CC1 ZINC000829179360 994571907 /nfs/dbraw/zinc/57/19/07/994571907.db2.gz LVLSUWQKNGDWGU-ZDUSSCGKSA-N 2 2 237.391 2.485 20 30 BEEDLP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+]CCC#N ZINC000576749657 365675773 /nfs/dbraw/zinc/67/57/73/365675773.db2.gz VNVXKSSZWQFTHP-ZDUSSCGKSA-N 2 2 223.364 2.000 20 30 BEEDLP C[C@H](CCC#N)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000602458926 349554903 /nfs/dbraw/zinc/55/49/03/349554903.db2.gz QYVNNSDWRPELSZ-KGLIPLIRSA-N 2 2 246.358 2.460 20 30 BEEDLP C[C@H](CCC#N)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000602458926 349554906 /nfs/dbraw/zinc/55/49/06/349554906.db2.gz QYVNNSDWRPELSZ-KGLIPLIRSA-N 2 2 246.358 2.460 20 30 BEEDLP C[C@@H](CCC#N)C[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C ZINC000602478377 349564192 /nfs/dbraw/zinc/56/41/92/349564192.db2.gz XOJFLTBWVOHNKP-MJBXVCDLSA-N 2 2 235.375 2.095 20 30 BEEDLP C[C@@H](CCC#N)C[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C ZINC000602478377 349564195 /nfs/dbraw/zinc/56/41/95/349564195.db2.gz XOJFLTBWVOHNKP-MJBXVCDLSA-N 2 2 235.375 2.095 20 30 BEEDLP C[C@@H](CCC#N)C[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000602478377 349564197 /nfs/dbraw/zinc/56/41/97/349564197.db2.gz XOJFLTBWVOHNKP-MJBXVCDLSA-N 2 2 235.375 2.095 20 30 BEEDLP C[C@@H](CCC#N)C[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000602478377 349564199 /nfs/dbraw/zinc/56/41/99/349564199.db2.gz XOJFLTBWVOHNKP-MJBXVCDLSA-N 2 2 235.375 2.095 20 30 BEEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2c[nH]nc2C)CC1 ZINC000180489326 538958661 /nfs/dbraw/zinc/95/86/61/538958661.db2.gz BZWUEKKQKQNKDY-LLVKDONJSA-N 2 2 248.374 2.019 20 30 BEEDLP CCCC[N@H+](C)CC[NH2+]C[C@@H](C)CCC#N ZINC000602563011 349601268 /nfs/dbraw/zinc/60/12/68/349601268.db2.gz JSQRKFQNVUBQCS-ZDUSSCGKSA-N 2 2 225.380 2.248 20 30 BEEDLP CCCC[N@@H+](C)CC[NH2+]C[C@@H](C)CCC#N ZINC000602563011 349601271 /nfs/dbraw/zinc/60/12/71/349601271.db2.gz JSQRKFQNVUBQCS-ZDUSSCGKSA-N 2 2 225.380 2.248 20 30 BEEDLP C[N@@H+]1CC[C@H]([NH2+]CC2(C#N)CCC2)CC1(C)C ZINC000600165251 342693803 /nfs/dbraw/zinc/69/38/03/342693803.db2.gz PEKFSVIRTNJSAC-LBPRGKRZSA-N 2 2 235.375 2.143 20 30 BEEDLP C[N@H+]1CC[C@H]([NH2+]CC2(C#N)CCC2)CC1(C)C ZINC000600165251 342693804 /nfs/dbraw/zinc/69/38/04/342693804.db2.gz PEKFSVIRTNJSAC-LBPRGKRZSA-N 2 2 235.375 2.143 20 30 BEEDLP N#CC1CCC([NH2+][C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000602564033 349616423 /nfs/dbraw/zinc/61/64/23/349616423.db2.gz KOWFAEIMSJZZSU-ZALBZXLWSA-N 2 2 247.386 2.143 20 30 BEEDLP N#CC1CCC([NH2+][C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000602564033 349616425 /nfs/dbraw/zinc/61/64/25/349616425.db2.gz KOWFAEIMSJZZSU-ZALBZXLWSA-N 2 2 247.386 2.143 20 30 BEEDLP C[C@@H]1C[C@H]([NH2+]C2CCC(C#N)CC2)C[N@@H+]1C1CC1 ZINC000602569225 349620339 /nfs/dbraw/zinc/62/03/39/349620339.db2.gz NUUIUWHRUZNXDD-RYSNWHEDSA-N 2 2 247.386 2.284 20 30 BEEDLP C[C@@H]1C[C@H]([NH2+]C2CCC(C#N)CC2)C[N@H+]1C1CC1 ZINC000602569225 349620340 /nfs/dbraw/zinc/62/03/40/349620340.db2.gz NUUIUWHRUZNXDD-RYSNWHEDSA-N 2 2 247.386 2.284 20 30 BEEDLP C[C@@H](CCC#N)C[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000602704985 349698899 /nfs/dbraw/zinc/69/88/99/349698899.db2.gz IYJFTHGEPGELBO-QWHCGFSZSA-N 2 2 237.391 2.389 20 30 BEEDLP C[C@@H](CCC#N)C[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000602704985 349698901 /nfs/dbraw/zinc/69/89/01/349698901.db2.gz IYJFTHGEPGELBO-QWHCGFSZSA-N 2 2 237.391 2.389 20 30 BEEDLP C[N@@H+]1CCCC12CC[NH+](CC1(CC#N)CC1)CC2 ZINC000602797772 349738623 /nfs/dbraw/zinc/73/86/23/349738623.db2.gz LOHVFNQDVIBAEE-UHFFFAOYSA-N 2 2 247.386 2.240 20 30 BEEDLP C[N@H+]1CCCC12CC[NH+](CC1(CC#N)CC1)CC2 ZINC000602797772 349738628 /nfs/dbraw/zinc/73/86/28/349738628.db2.gz LOHVFNQDVIBAEE-UHFFFAOYSA-N 2 2 247.386 2.240 20 30 BEEDLP C=CCC[C@H]([NH2+]CCn1cc[nH+]c1)C1CC1 ZINC000119851420 136292265 /nfs/dbraw/zinc/29/22/65/136292265.db2.gz VKDNTRMRTPVTFA-ZDUSSCGKSA-N 2 2 219.332 2.218 20 30 BEEDLP C=CCCCC[N@@H+]1CCc2[nH+]c[nH]c2C1 ZINC000625434542 343734897 /nfs/dbraw/zinc/73/48/97/343734897.db2.gz AGYSCNADBXTNLP-UHFFFAOYSA-N 2 2 205.305 2.124 20 30 BEEDLP C=CCCCC[N@H+]1CCc2[nH+]c[nH]c2C1 ZINC000625434542 343734899 /nfs/dbraw/zinc/73/48/99/343734899.db2.gz AGYSCNADBXTNLP-UHFFFAOYSA-N 2 2 205.305 2.124 20 30 BEEDLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CC1(CC#N)CC1 ZINC000394346024 344117409 /nfs/dbraw/zinc/11/74/09/344117409.db2.gz GGSFTWGAHJIRCZ-KGLIPLIRSA-N 2 2 247.386 2.239 20 30 BEEDLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CC1(CC#N)CC1 ZINC000394346024 344117410 /nfs/dbraw/zinc/11/74/10/344117410.db2.gz GGSFTWGAHJIRCZ-KGLIPLIRSA-N 2 2 247.386 2.239 20 30 BEEDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC1(CC#N)CC1 ZINC000394346024 344117411 /nfs/dbraw/zinc/11/74/11/344117411.db2.gz GGSFTWGAHJIRCZ-KGLIPLIRSA-N 2 2 247.386 2.239 20 30 BEEDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CC1(CC#N)CC1 ZINC000394346024 344117412 /nfs/dbraw/zinc/11/74/12/344117412.db2.gz GGSFTWGAHJIRCZ-KGLIPLIRSA-N 2 2 247.386 2.239 20 30 BEEDLP C=CCC[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000126825628 344184260 /nfs/dbraw/zinc/18/42/60/344184260.db2.gz PDFUKOMLDIOUDK-VXGBXAGGSA-N 2 2 208.349 2.167 20 30 BEEDLP C=CCC[C@@H](C)[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000126825628 344184261 /nfs/dbraw/zinc/18/42/61/344184261.db2.gz PDFUKOMLDIOUDK-VXGBXAGGSA-N 2 2 208.349 2.167 20 30 BEEDLP C=CC[C@H]1CCC[N@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634996561 345187987 /nfs/dbraw/zinc/18/79/87/345187987.db2.gz NRFIKDZLAVKCBN-HSBZDZAISA-N 2 2 220.360 2.027 20 30 BEEDLP C=CC[C@H]1CCC[N@@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634996561 345187990 /nfs/dbraw/zinc/18/79/90/345187990.db2.gz NRFIKDZLAVKCBN-HSBZDZAISA-N 2 2 220.360 2.027 20 30 BEEDLP C[N@@H+]1CCC[C@H]([NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000590643888 347484650 /nfs/dbraw/zinc/48/46/50/347484650.db2.gz GNXYOOBOOOFNOQ-MOKVOYLWSA-N 2 2 235.375 2.143 20 30 BEEDLP C[N@H+]1CCC[C@H]([NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000590643888 347484652 /nfs/dbraw/zinc/48/46/52/347484652.db2.gz GNXYOOBOOOFNOQ-MOKVOYLWSA-N 2 2 235.375 2.143 20 30 BEEDLP C=CCC[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000271219173 166263153 /nfs/dbraw/zinc/26/31/53/166263153.db2.gz JUHCCYHWYKJIGW-QWHCGFSZSA-N 2 2 219.332 2.342 20 30 BEEDLP C=CCC[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000271219173 166263157 /nfs/dbraw/zinc/26/31/57/166263157.db2.gz JUHCCYHWYKJIGW-QWHCGFSZSA-N 2 2 219.332 2.342 20 30 BEEDLP C[C@H](CCC#N)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591013253 347606173 /nfs/dbraw/zinc/60/61/73/347606173.db2.gz OPEIRYYNMPJLLG-OLZOCXBDSA-N 2 2 232.331 2.212 20 30 BEEDLP C[C@H](CCC#N)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591013253 347606175 /nfs/dbraw/zinc/60/61/75/347606175.db2.gz OPEIRYYNMPJLLG-OLZOCXBDSA-N 2 2 232.331 2.212 20 30 BEEDLP C[C@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1cccc(C#N)c1 ZINC000591578047 347677524 /nfs/dbraw/zinc/67/75/24/347677524.db2.gz PCMXXNNGAYLLQM-WFASDCNBSA-N 2 2 243.354 2.351 20 30 BEEDLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000595047913 348179748 /nfs/dbraw/zinc/17/97/48/348179748.db2.gz HTOLRLQOGXNGJS-FRRDWIJNSA-N 2 2 235.375 2.141 20 30 BEEDLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000595047913 348179752 /nfs/dbraw/zinc/17/97/52/348179752.db2.gz HTOLRLQOGXNGJS-FRRDWIJNSA-N 2 2 235.375 2.141 20 30 BEEDLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000595047916 348179818 /nfs/dbraw/zinc/17/98/18/348179818.db2.gz HTOLRLQOGXNGJS-YNEHKIRRSA-N 2 2 235.375 2.141 20 30 BEEDLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000595047916 348179820 /nfs/dbraw/zinc/17/98/20/348179820.db2.gz HTOLRLQOGXNGJS-YNEHKIRRSA-N 2 2 235.375 2.141 20 30 BEEDLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@](C)(C#N)C1 ZINC000595835135 348369333 /nfs/dbraw/zinc/36/93/33/348369333.db2.gz ORTLCVQEHGPCSO-ZIAGYGMSSA-N 2 2 235.375 2.096 20 30 BEEDLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@](C)(C#N)C1 ZINC000595835135 348369336 /nfs/dbraw/zinc/36/93/36/348369336.db2.gz ORTLCVQEHGPCSO-ZIAGYGMSSA-N 2 2 235.375 2.096 20 30 BEEDLP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595835135 348369337 /nfs/dbraw/zinc/36/93/37/348369337.db2.gz ORTLCVQEHGPCSO-ZIAGYGMSSA-N 2 2 235.375 2.096 20 30 BEEDLP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@](C)(C#N)C1 ZINC000595835135 348369340 /nfs/dbraw/zinc/36/93/40/348369340.db2.gz ORTLCVQEHGPCSO-ZIAGYGMSSA-N 2 2 235.375 2.096 20 30 BEEDLP Cc1ccc(CCC[NH+]2CC(CC#N)C2)c[nH+]1 ZINC000597203753 348677652 /nfs/dbraw/zinc/67/76/52/348677652.db2.gz OFJIDGGXXZARPB-UHFFFAOYSA-N 2 2 229.327 2.168 20 30 BEEDLP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1ccccc1C#N ZINC000598679332 349021427 /nfs/dbraw/zinc/02/14/27/349021427.db2.gz GRVHJZIPZQATNF-ZDUSSCGKSA-N 2 2 231.343 2.021 20 30 BEEDLP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1ccccc1C#N ZINC000598679908 349021730 /nfs/dbraw/zinc/02/17/30/349021730.db2.gz QHIUIDXEUNUQGN-CQSZACIVSA-N 2 2 243.354 2.036 20 30 BEEDLP C=CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427868898 191097318 /nfs/dbraw/zinc/09/73/18/191097318.db2.gz BKEOWDZDWZKMLZ-YNEHKIRRSA-N 2 2 233.359 2.388 20 30 BEEDLP C=CCCC[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000563968947 323335642 /nfs/dbraw/zinc/33/56/42/323335642.db2.gz HVCARDXWOCKJDM-LBPRGKRZSA-N 2 2 219.332 2.176 20 30 BEEDLP C=CCCC[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000563968947 323335648 /nfs/dbraw/zinc/33/56/48/323335648.db2.gz HVCARDXWOCKJDM-LBPRGKRZSA-N 2 2 219.332 2.176 20 30 BEEDLP C=CC1CC[NH+](CCn2cc[nH+]c2C)CC1 ZINC000336708575 350461806 /nfs/dbraw/zinc/46/18/06/350461806.db2.gz VEGRNKAMCGERMR-UHFFFAOYSA-N 2 2 219.332 2.090 20 30 BEEDLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](C)CCC#N ZINC000618888365 352166725 /nfs/dbraw/zinc/16/67/25/352166725.db2.gz QXZILFDOYJBVDL-ZNMIVQPWSA-N 2 2 249.402 2.485 20 30 BEEDLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](C)CCC#N ZINC000618888365 352166727 /nfs/dbraw/zinc/16/67/27/352166727.db2.gz QXZILFDOYJBVDL-ZNMIVQPWSA-N 2 2 249.402 2.485 20 30 BEEDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](C)CCC#N ZINC000618888365 352166728 /nfs/dbraw/zinc/16/67/28/352166728.db2.gz QXZILFDOYJBVDL-ZNMIVQPWSA-N 2 2 249.402 2.485 20 30 BEEDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](C)CCC#N ZINC000618888365 352166730 /nfs/dbraw/zinc/16/67/30/352166730.db2.gz QXZILFDOYJBVDL-ZNMIVQPWSA-N 2 2 249.402 2.485 20 30 BEEDLP C=C(C)C[N@H+](CC)CCCn1cc[nH+]c1 ZINC000182670428 353489119 /nfs/dbraw/zinc/48/91/19/353489119.db2.gz KHBPEMUJRJMPOP-UHFFFAOYSA-N 2 2 207.321 2.171 20 30 BEEDLP C=C(C)C[N@@H+](CC)CCCn1cc[nH+]c1 ZINC000182670428 353489122 /nfs/dbraw/zinc/48/91/22/353489122.db2.gz KHBPEMUJRJMPOP-UHFFFAOYSA-N 2 2 207.321 2.171 20 30 BEEDLP C#CCC[NH2+][C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000289400461 353627803 /nfs/dbraw/zinc/62/78/03/353627803.db2.gz NXKFDXRDTDHTJR-GJZGRUSLSA-N 2 2 228.339 2.045 20 30 BEEDLP C#CCC[NH2+][C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000289400461 353627805 /nfs/dbraw/zinc/62/78/05/353627805.db2.gz NXKFDXRDTDHTJR-GJZGRUSLSA-N 2 2 228.339 2.045 20 30 BEEDLP C#Cc1ccc(C[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000289205267 353620370 /nfs/dbraw/zinc/62/03/70/353620370.db2.gz IAXAOIMMLQGCBV-UHFFFAOYSA-N 2 2 239.322 2.044 20 30 BEEDLP N#CC1(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)CC1 ZINC000343316354 353654558 /nfs/dbraw/zinc/65/45/58/353654558.db2.gz SAUORSHVMOOXCY-AWEZNQCLSA-N 2 2 247.386 2.098 20 30 BEEDLP N#CC1(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)CC1 ZINC000343316354 353654560 /nfs/dbraw/zinc/65/45/60/353654560.db2.gz SAUORSHVMOOXCY-AWEZNQCLSA-N 2 2 247.386 2.098 20 30 BEEDLP N#CCCC[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000344328608 354224847 /nfs/dbraw/zinc/22/48/47/354224847.db2.gz QYDBJEVXPOSGNO-UHFFFAOYSA-N 2 2 246.339 2.327 20 30 BEEDLP C=CC[C@H]1CC[C@@H]([NH2+]C[C@H]2CCC[N@H+]2C)C1 ZINC000623634909 366314684 /nfs/dbraw/zinc/31/46/84/366314684.db2.gz GLZYHAFVFDHVOC-BFHYXJOUSA-N 2 2 222.376 2.415 20 30 BEEDLP C=CC[C@H]1CC[C@@H]([NH2+]C[C@H]2CCC[N@@H+]2C)C1 ZINC000623634909 366314691 /nfs/dbraw/zinc/31/46/91/366314691.db2.gz GLZYHAFVFDHVOC-BFHYXJOUSA-N 2 2 222.376 2.415 20 30 BEEDLP C=C(Cl)C[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000167736514 134153759 /nfs/dbraw/zinc/15/37/59/134153759.db2.gz PNWDLUAROHDIEY-NWDGAFQWSA-N 2 2 222.719 2.473 20 30 BEEDLP C=CC[N@H+]1CCC[C@H]1CNc1cccc(C)[nH+]1 ZINC000369899865 134223365 /nfs/dbraw/zinc/22/33/65/134223365.db2.gz KLWZSPRDLSBHGA-ZDUSSCGKSA-N 2 2 231.343 2.452 20 30 BEEDLP C=CC[N@@H+]1CCC[C@H]1CNc1cccc(C)[nH+]1 ZINC000369899865 134223366 /nfs/dbraw/zinc/22/33/66/134223366.db2.gz KLWZSPRDLSBHGA-ZDUSSCGKSA-N 2 2 231.343 2.452 20 30 BEEDLP CC[NH+](CC)CCC[N@H+](CCC#N)CC1CC1 ZINC000191526519 357783432 /nfs/dbraw/zinc/78/34/32/357783432.db2.gz HUFSLGXOJURZOP-UHFFFAOYSA-N 2 2 237.391 2.344 20 30 BEEDLP CC[NH+](CC)CCC[N@@H+](CCC#N)CC1CC1 ZINC000191526519 357783438 /nfs/dbraw/zinc/78/34/38/357783438.db2.gz HUFSLGXOJURZOP-UHFFFAOYSA-N 2 2 237.391 2.344 20 30 BEEDLP C=C(C)C[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000130806306 358647665 /nfs/dbraw/zinc/64/76/65/358647665.db2.gz PZKCPXHIIMMQIB-UHFFFAOYSA-N 2 2 245.370 2.212 20 30 BEEDLP C=CC[C@H](C)[C@H](C)[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000308823523 491138492 /nfs/dbraw/zinc/13/84/92/491138492.db2.gz CUYOVIMWMHPNCK-AVGNSLFASA-N 2 2 210.365 2.271 20 30 BEEDLP C=CC[C@H](C)[C@H](C)[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000308823523 491138493 /nfs/dbraw/zinc/13/84/93/491138493.db2.gz CUYOVIMWMHPNCK-AVGNSLFASA-N 2 2 210.365 2.271 20 30 BEEDLP C=C(C)C[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247738933 359243148 /nfs/dbraw/zinc/24/31/48/359243148.db2.gz VVJWXLZKICLDPV-CHWSQXEVSA-N 2 2 219.332 2.342 20 30 BEEDLP C=C(C)C[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247738933 359243151 /nfs/dbraw/zinc/24/31/51/359243151.db2.gz VVJWXLZKICLDPV-CHWSQXEVSA-N 2 2 219.332 2.342 20 30 BEEDLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@](C)(C#N)C1 ZINC000612163683 359716054 /nfs/dbraw/zinc/71/60/54/359716054.db2.gz YWIMABPWRHBUER-HUUCEWRRSA-N 2 2 249.402 2.486 20 30 BEEDLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@](C)(C#N)C1 ZINC000612163683 359716058 /nfs/dbraw/zinc/71/60/58/359716058.db2.gz YWIMABPWRHBUER-HUUCEWRRSA-N 2 2 249.402 2.486 20 30 BEEDLP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612163683 359716060 /nfs/dbraw/zinc/71/60/60/359716060.db2.gz YWIMABPWRHBUER-HUUCEWRRSA-N 2 2 249.402 2.486 20 30 BEEDLP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612163683 359716064 /nfs/dbraw/zinc/71/60/64/359716064.db2.gz YWIMABPWRHBUER-HUUCEWRRSA-N 2 2 249.402 2.486 20 30 BEEDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CCC(C)(C)C#N)C1 ZINC000573503110 364850321 /nfs/dbraw/zinc/85/03/21/364850321.db2.gz NJXVLEGKMTWQCV-GFCCVEGCSA-N 2 2 246.358 2.149 20 30 BEEDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CCC(C)(C)C#N)C1 ZINC000573503110 364850325 /nfs/dbraw/zinc/85/03/25/364850325.db2.gz NJXVLEGKMTWQCV-GFCCVEGCSA-N 2 2 246.358 2.149 20 30 BEEDLP Cc1ccc(C[N@@H+](C)C2(C[NH3+])CCC2)cc1C#N ZINC000600708649 369559064 /nfs/dbraw/zinc/55/90/64/369559064.db2.gz DVJKLOCXGQEPAA-UHFFFAOYSA-N 2 2 243.354 2.180 20 30 BEEDLP Cc1ccc(C[N@H+](C)C2(C[NH3+])CCC2)cc1C#N ZINC000600708649 369559073 /nfs/dbraw/zinc/55/90/73/369559073.db2.gz DVJKLOCXGQEPAA-UHFFFAOYSA-N 2 2 243.354 2.180 20 30 BEEDLP C=CCCC[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000308832353 384332442 /nfs/dbraw/zinc/33/24/42/384332442.db2.gz USTUYIQMWHWQFC-NWDGAFQWSA-N 2 2 208.349 2.167 20 30 BEEDLP C=CCCC[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000308832353 384332445 /nfs/dbraw/zinc/33/24/45/384332445.db2.gz USTUYIQMWHWQFC-NWDGAFQWSA-N 2 2 208.349 2.167 20 30 BEEDLP CC(C)CC[N@H+](CCC#N)CCn1cc[nH+]c1 ZINC000159867999 384507968 /nfs/dbraw/zinc/50/79/68/384507968.db2.gz NRWJXLWEBVRJTB-UHFFFAOYSA-N 2 2 234.347 2.145 20 30 BEEDLP CC(C)CC[N@@H+](CCC#N)CCn1cc[nH+]c1 ZINC000159867999 384507974 /nfs/dbraw/zinc/50/79/74/384507974.db2.gz NRWJXLWEBVRJTB-UHFFFAOYSA-N 2 2 234.347 2.145 20 30 BEEDLP C[C@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccc(C#N)c(F)c1 ZINC000423280218 384529132 /nfs/dbraw/zinc/52/91/32/384529132.db2.gz SMHWFXZHIRKBGJ-XPTSAGLGSA-N 2 2 247.317 2.085 20 30 BEEDLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@H]1C)c1ccc(C#N)cc1 ZINC000423354646 384546383 /nfs/dbraw/zinc/54/63/83/384546383.db2.gz DDNXRTLKOBXOGG-TYNCELHUSA-N 2 2 243.354 2.207 20 30 BEEDLP CC[NH2+][C@H](C)C[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000423386436 384551632 /nfs/dbraw/zinc/55/16/32/384551632.db2.gz LFIGLQNXOPWBIJ-IAQYHMDHSA-N 2 2 243.354 2.133 20 30 BEEDLP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000423463542 384575312 /nfs/dbraw/zinc/57/53/12/384575312.db2.gz LHOHFEFGEIGQEM-BXKDBHETSA-N 2 2 235.306 2.085 20 30 BEEDLP C=CCCC[C@H](C)[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000398107951 384808271 /nfs/dbraw/zinc/80/82/71/384808271.db2.gz LNJDUNCOYIFNCC-MJBXVCDLSA-N 2 2 240.391 2.088 20 30 BEEDLP C[C@@H]([NH2+]Cc1c[nH+]c[nH]1)c1ccc(C#N)cc1 ZINC000054764489 384898725 /nfs/dbraw/zinc/89/87/25/384898725.db2.gz ZYUXVBYXNQYUCN-SNVBAGLBSA-N 2 2 226.283 2.132 20 30 BEEDLP C=CCOc1cccc(C[N@H+]2CCC[C@@H]2C[NH3+])c1 ZINC000347031152 386223445 /nfs/dbraw/zinc/22/34/45/386223445.db2.gz YEIFPMBQJCRBRG-CQSZACIVSA-N 2 2 246.354 2.175 20 30 BEEDLP C=CCOc1cccc(C[N@@H+]2CCC[C@@H]2C[NH3+])c1 ZINC000347031152 386223449 /nfs/dbraw/zinc/22/34/49/386223449.db2.gz YEIFPMBQJCRBRG-CQSZACIVSA-N 2 2 246.354 2.175 20 30 BEEDLP C=CCOc1cccc(C[N@H+]2CC[C@H]([NH3+])[C@@H]2C)c1 ZINC000414772249 386457805 /nfs/dbraw/zinc/45/78/05/386457805.db2.gz QSSPWYUBVRRDEZ-WFASDCNBSA-N 2 2 246.354 2.173 20 30 BEEDLP C=CCOc1cccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H]2C)c1 ZINC000414772249 386457814 /nfs/dbraw/zinc/45/78/14/386457814.db2.gz QSSPWYUBVRRDEZ-WFASDCNBSA-N 2 2 246.354 2.173 20 30 BEEDLP C=CCOc1ccccc1C[N@@H+](C)CCC[NH2+]C ZINC000415133157 386638898 /nfs/dbraw/zinc/63/88/98/386638898.db2.gz MOVIREIESLKMTG-UHFFFAOYSA-N 2 2 248.370 2.293 20 30 BEEDLP C=CCOc1ccccc1C[N@H+](C)CCC[NH2+]C ZINC000415133157 386638903 /nfs/dbraw/zinc/63/89/03/386638903.db2.gz MOVIREIESLKMTG-UHFFFAOYSA-N 2 2 248.370 2.293 20 30 BEEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CS[C@H](C)C2)CC1 ZINC000638523752 386856023 /nfs/dbraw/zinc/85/60/23/386856023.db2.gz GGPCCXSFDNSHRE-YPMHNXCESA-N 2 2 240.416 2.120 20 30 BEEDLP C=CC[C@H](CC)[NH2+][C@@H]1C[N@H+](CC)C[C@H]1C ZINC000336739304 386878777 /nfs/dbraw/zinc/87/87/77/386878777.db2.gz SKGPPVKPNGGTFY-FRRDWIJNSA-N 2 2 210.365 2.271 20 30 BEEDLP C=CC[C@H](CC)[NH2+][C@@H]1C[N@@H+](CC)C[C@H]1C ZINC000336739304 386878783 /nfs/dbraw/zinc/87/87/83/386878783.db2.gz SKGPPVKPNGGTFY-FRRDWIJNSA-N 2 2 210.365 2.271 20 30 BEEDLP N#C[C@@H]1CCC[C@@H]([NH2+]CC[NH+]2CCCCC2)C1 ZINC000192641527 387048487 /nfs/dbraw/zinc/04/84/87/387048487.db2.gz XTPBNZLZJJJKMY-ZIAGYGMSSA-N 2 2 235.375 2.144 20 30 BEEDLP CC(C)[NH+]1CCC([NH2+]CC2(C#N)CCC2)CC1 ZINC000418135516 387169936 /nfs/dbraw/zinc/16/99/36/387169936.db2.gz AWJDOMWMFLNOTM-UHFFFAOYSA-N 2 2 235.375 2.143 20 30 BEEDLP C=CC[NH+]1CCC([NH2+][C@H](C)C2CC2)CC1 ZINC000165302571 387521469 /nfs/dbraw/zinc/52/14/69/387521469.db2.gz MEOCPNNEXWLQBA-LLVKDONJSA-N 2 2 208.349 2.025 20 30 BEEDLP C=CC[NH+]1CCC(Nc2[nH+]cccc2OC)CC1 ZINC000527878079 387768921 /nfs/dbraw/zinc/76/89/21/387768921.db2.gz BRQUZXBOJXRQQM-UHFFFAOYSA-N 2 2 247.342 2.153 20 30 BEEDLP N#C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)C1 ZINC000528001150 387807070 /nfs/dbraw/zinc/80/70/70/387807070.db2.gz LPOWCSVSZZBKTP-UMVBOHGHSA-N 2 2 247.386 2.285 20 30 BEEDLP N#C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CC[N@H+]2C2CCCC2)C1 ZINC000528001150 387807074 /nfs/dbraw/zinc/80/70/74/387807074.db2.gz LPOWCSVSZZBKTP-UMVBOHGHSA-N 2 2 247.386 2.285 20 30 BEEDLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CC2CCC(C#N)CC2)C1 ZINC000441389437 387757155 /nfs/dbraw/zinc/75/71/55/387757155.db2.gz ZLSQXHCVLDETLR-URGYJCLVSA-N 2 2 249.402 2.246 20 30 BEEDLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CC2CCC(C#N)CC2)C1 ZINC000441389437 387757159 /nfs/dbraw/zinc/75/71/59/387757159.db2.gz ZLSQXHCVLDETLR-URGYJCLVSA-N 2 2 249.402 2.246 20 30 BEEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)[C@H]2CC23CC3)CC1 ZINC000527859233 387757341 /nfs/dbraw/zinc/75/73/41/387757341.db2.gz ODUQMDIFAPRHQS-GXTWGEPZSA-N 2 2 234.387 2.415 20 30 BEEDLP Cc1c[nH+]ccc1CC[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000442841178 387850160 /nfs/dbraw/zinc/85/01/60/387850160.db2.gz FXTNWRDQVPNEKW-GXTWGEPZSA-N 2 2 229.327 2.214 20 30 BEEDLP N#C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000442857415 387850862 /nfs/dbraw/zinc/85/08/62/387850862.db2.gz FPRCQWYRRVPASH-VNHYZAJKSA-N 2 2 247.386 2.285 20 30 BEEDLP N#C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCC[N@H+]2C2CC2)C1 ZINC000442857415 387850864 /nfs/dbraw/zinc/85/08/64/387850864.db2.gz FPRCQWYRRVPASH-VNHYZAJKSA-N 2 2 247.386 2.285 20 30 BEEDLP C=CCC[C@H](CCC)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643537398 387875404 /nfs/dbraw/zinc/87/54/04/387875404.db2.gz GUCLZLHKXNPESJ-AVGNSLFASA-N 2 2 228.355 2.411 20 30 BEEDLP C[C@H]([NH2+]CC(C)(C)CC#N)[C@@H]1CCCC[NH2+]1 ZINC000423166076 387950362 /nfs/dbraw/zinc/95/03/62/387950362.db2.gz CEBHQVJXCBJVDA-RYUDHWBXSA-N 2 2 223.364 2.046 20 30 BEEDLP C[C@@H]([NH2+]CC(C)(C)CC#N)[C@@H]1CCCC[NH2+]1 ZINC000423166074 387950413 /nfs/dbraw/zinc/95/04/13/387950413.db2.gz CEBHQVJXCBJVDA-NEPJUHHUSA-N 2 2 223.364 2.046 20 30 BEEDLP C#CC[N@@H+](CC)CCCc1ccc(C)[nH+]c1 ZINC000490717912 388249810 /nfs/dbraw/zinc/24/98/10/388249810.db2.gz FVYZWDYVQUFTPZ-UHFFFAOYSA-N 2 2 216.328 2.278 20 30 BEEDLP C#C[C@@H](C)[N@H+](C)CCCc1ccc(C)[nH+]c1 ZINC000490740070 388251905 /nfs/dbraw/zinc/25/19/05/388251905.db2.gz MFYNBHMISSBEGW-CYBMUJFWSA-N 2 2 216.328 2.276 20 30 BEEDLP C#C[C@@H](C)[N@@H+](C)CCCc1ccc(C)[nH+]c1 ZINC000490740070 388251907 /nfs/dbraw/zinc/25/19/07/388251907.db2.gz MFYNBHMISSBEGW-CYBMUJFWSA-N 2 2 216.328 2.276 20 30 BEEDLP C[C@@H]([NH2+]CC[NH+]1CCCC1)c1cccc(C#N)c1 ZINC000037228741 388238356 /nfs/dbraw/zinc/23/83/56/388238356.db2.gz SFPBOKHRFDPWRI-CYBMUJFWSA-N 2 2 243.354 2.305 20 30 BEEDLP C#C[C@H](CC)[NH2+]Cc1c[nH+]c2ccc(C)cn12 ZINC000491663411 388309285 /nfs/dbraw/zinc/30/92/85/388309285.db2.gz MTQAZQYKOQOLIL-GFCCVEGCSA-N 2 2 227.311 2.144 20 30 BEEDLP C#C[C@@H]([NH2+]Cc1c[nH+]cn1CC)C(C)(C)C ZINC000491771849 388319264 /nfs/dbraw/zinc/31/92/64/388319264.db2.gz RNVJGDGLKZXNIB-GFCCVEGCSA-N 2 2 219.332 2.041 20 30 BEEDLP C[NH+](C)CC(C)(C)[NH2+]CCCC(C)(C)C#N ZINC000308632562 388446266 /nfs/dbraw/zinc/44/62/66/388446266.db2.gz QQLCYQKVTJTVAY-UHFFFAOYSA-N 2 2 225.380 2.246 20 30 BEEDLP N#C[C@@H]1CC[C@@H]([NH2+]Cc2c[nH+]c3n2CCCC3)C1 ZINC000551571080 388634648 /nfs/dbraw/zinc/63/46/48/388634648.db2.gz QAUMJUXXVWMAGY-VXGBXAGGSA-N 2 2 244.342 2.001 20 30 BEEDLP N#CC1(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCCC1 ZINC000405104019 388637599 /nfs/dbraw/zinc/63/75/99/388637599.db2.gz FUZBSSIELNJNAK-UONOGXRCSA-N 2 2 247.386 2.287 20 30 BEEDLP N#CC1(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CCCC1 ZINC000405104019 388637600 /nfs/dbraw/zinc/63/76/00/388637600.db2.gz FUZBSSIELNJNAK-UONOGXRCSA-N 2 2 247.386 2.287 20 30 BEEDLP CCC[NH2+]CC[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000423307246 388691452 /nfs/dbraw/zinc/69/14/52/388691452.db2.gz GKVRMLRBUBOQSM-NSHDSACASA-N 2 2 249.333 2.348 20 30 BEEDLP C[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc(C#N)cc1F ZINC000423322122 388691638 /nfs/dbraw/zinc/69/16/38/388691638.db2.gz NPHHMVBAPYTKAF-OTYXRUKQSA-N 2 2 247.317 2.085 20 30 BEEDLP C[C@@H]([NH3+])[C@@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000423452742 388692931 /nfs/dbraw/zinc/69/29/31/388692931.db2.gz WUJBXJWKCLPPBW-BBBLOLIVSA-N 2 2 235.306 2.084 20 30 BEEDLP CC[NH2+][C@H](C)C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000423377877 388693186 /nfs/dbraw/zinc/69/31/86/388693186.db2.gz KPBCZGJNCKMYHX-VXGBXAGGSA-N 2 2 231.343 2.207 20 30 BEEDLP CC#CCC[NH2+]Cc1c[nH+]c2ccc(C)cn12 ZINC000354177276 134167008 /nfs/dbraw/zinc/16/70/08/134167008.db2.gz GNCSCBKMMPWCGA-UHFFFAOYSA-N 2 2 227.311 2.146 20 30 BEEDLP C[N@@H+]1CC[C@H]2CC[NH+](CC(C)(C)CCC#N)[C@@H]2C1 ZINC000360676336 134201889 /nfs/dbraw/zinc/20/18/89/134201889.db2.gz ZQMQLHFNNODHLQ-UONOGXRCSA-N 2 2 249.402 2.342 20 30 BEEDLP C[N@H+]1CC[C@H]2CC[NH+](CC(C)(C)CCC#N)[C@@H]2C1 ZINC000360676336 134201890 /nfs/dbraw/zinc/20/18/90/134201890.db2.gz ZQMQLHFNNODHLQ-UONOGXRCSA-N 2 2 249.402 2.342 20 30 BEEDLP C[NH+]1CC[C@H]2CC[N@H+](CC(C)(C)CCC#N)[C@@H]2C1 ZINC000360676336 134201891 /nfs/dbraw/zinc/20/18/91/134201891.db2.gz ZQMQLHFNNODHLQ-UONOGXRCSA-N 2 2 249.402 2.342 20 30 BEEDLP C[NH+]1CC[C@H]2CC[N@@H+](CC(C)(C)CCC#N)[C@@H]2C1 ZINC000360676336 134201892 /nfs/dbraw/zinc/20/18/92/134201892.db2.gz ZQMQLHFNNODHLQ-UONOGXRCSA-N 2 2 249.402 2.342 20 30 BEEDLP N#C[C@@H]1CC[C@H]([N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)C1 ZINC000293809239 135183189 /nfs/dbraw/zinc/18/31/89/135183189.db2.gz OBHZELZJRDCXCB-AGIUHOORSA-N 2 2 244.342 2.281 20 30 BEEDLP N#C[C@@H]1CC[C@H]([N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)C1 ZINC000293809239 135183191 /nfs/dbraw/zinc/18/31/91/135183191.db2.gz OBHZELZJRDCXCB-AGIUHOORSA-N 2 2 244.342 2.281 20 30 BEEDLP C=CCOc1ccc(C[N@H+]2C[C@H](C)[C@H]([NH3+])C2)cc1 ZINC000261924589 135269720 /nfs/dbraw/zinc/26/97/20/135269720.db2.gz BZLLEHPOXCEUDU-SWLSCSKDSA-N 2 2 246.354 2.030 20 30 BEEDLP C=CCOc1ccc(C[N@@H+]2C[C@H](C)[C@H]([NH3+])C2)cc1 ZINC000261924589 135269721 /nfs/dbraw/zinc/26/97/21/135269721.db2.gz BZLLEHPOXCEUDU-SWLSCSKDSA-N 2 2 246.354 2.030 20 30 BEEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccccn2)CC1 ZINC000179470899 166352576 /nfs/dbraw/zinc/35/25/76/166352576.db2.gz XQKDZFVIEZNGMZ-ZDUSSCGKSA-N 2 2 245.370 2.383 20 30 BEEDLP C=CC[C@@H]1CC[C@H]([NH2+][C@H]2CCC[N@@H+](C)C2)C1 ZINC000651685030 411135995 /nfs/dbraw/zinc/13/59/95/411135995.db2.gz GRCIVNBIXRHKAX-RDBSUJKOSA-N 2 2 222.376 2.415 20 30 BEEDLP C=CC[C@@H]1CC[C@H]([NH2+][C@H]2CCC[N@H+](C)C2)C1 ZINC000651685030 411135996 /nfs/dbraw/zinc/13/59/96/411135996.db2.gz GRCIVNBIXRHKAX-RDBSUJKOSA-N 2 2 222.376 2.415 20 30 BEEDLP C=CC[C@H]1CC[C@@H]([NH2+]CCc2cn(C)c[nH+]2)C1 ZINC000651828669 411146478 /nfs/dbraw/zinc/14/64/78/411146478.db2.gz YEHYITNJVRGDFK-QWHCGFSZSA-N 2 2 233.359 2.297 20 30 BEEDLP C=CC[C@@H]1CCC[N@@H+](CCn2cc[nH+]c2C)C1 ZINC000661380425 411763165 /nfs/dbraw/zinc/76/31/65/411763165.db2.gz GYTFZNGHMCDOQT-CQSZACIVSA-N 2 2 233.359 2.480 20 30 BEEDLP C=CC[C@@H]1CCC[N@H+](CCn2cc[nH+]c2C)C1 ZINC000661380425 411763167 /nfs/dbraw/zinc/76/31/67/411763167.db2.gz GYTFZNGHMCDOQT-CQSZACIVSA-N 2 2 233.359 2.480 20 30 BEEDLP C[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2)[C@@H]1C[NH3+] ZINC000070175445 176099636 /nfs/dbraw/zinc/09/96/36/176099636.db2.gz WXOJJJZGDYXRQW-IUODEOHRSA-N 2 2 243.354 2.117 20 30 BEEDLP C[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)[C@@H]1C[NH3+] ZINC000070175445 176099637 /nfs/dbraw/zinc/09/96/37/176099637.db2.gz WXOJJJZGDYXRQW-IUODEOHRSA-N 2 2 243.354 2.117 20 30 BEEDLP CC[N@H+](CC[NH2+]CC(C)(C)CCC#N)C1CC1 ZINC000174335202 323075120 /nfs/dbraw/zinc/07/51/20/323075120.db2.gz WZBFWDXIQMFSLL-UHFFFAOYSA-N 2 2 237.391 2.390 20 30 BEEDLP CC[N@@H+](CC[NH2+]CC(C)(C)CCC#N)C1CC1 ZINC000174335202 323075121 /nfs/dbraw/zinc/07/51/21/323075121.db2.gz WZBFWDXIQMFSLL-UHFFFAOYSA-N 2 2 237.391 2.390 20 30 BEEDLP CC[N@@H+]1CCC[C@H]([NH2+]CC(C)(C)CCC#N)C1 ZINC000135161364 325398235 /nfs/dbraw/zinc/39/82/35/325398235.db2.gz ZSXHUCNTOATTHA-ZDUSSCGKSA-N 2 2 237.391 2.390 20 30 BEEDLP CC[N@H+]1CCC[C@H]([NH2+]CC(C)(C)CCC#N)C1 ZINC000135161364 325398238 /nfs/dbraw/zinc/39/82/38/325398238.db2.gz ZSXHUCNTOATTHA-ZDUSSCGKSA-N 2 2 237.391 2.390 20 30 BEEDLP N#CCC1(C[NH2+]Cc2cccc3[nH+]ccn32)CC1 ZINC000564699594 325803656 /nfs/dbraw/zinc/80/36/56/325803656.db2.gz HZOWAIIWQXYLEU-UHFFFAOYSA-N 2 2 240.310 2.118 20 30 BEEDLP CC(C)C[C@@H](C[NH+](C)C)[NH2+]C[C@H](C)CCC#N ZINC000602542084 487995269 /nfs/dbraw/zinc/99/52/69/487995269.db2.gz SMKCTPXRXJTBKC-KGLIPLIRSA-N 2 2 239.407 2.492 20 30 BEEDLP C=C(C)C[N@@H+](CC)Cc1c[nH+]c(C)n1C ZINC000667473565 488020008 /nfs/dbraw/zinc/02/00/08/488020008.db2.gz NKJZYUDJSLLEMI-UHFFFAOYSA-N 2 2 207.321 2.127 20 30 BEEDLP C=C(C)C[N@H+](CC)Cc1c[nH+]c(C)n1C ZINC000667473565 488020010 /nfs/dbraw/zinc/02/00/10/488020010.db2.gz NKJZYUDJSLLEMI-UHFFFAOYSA-N 2 2 207.321 2.127 20 30 BEEDLP C#CC[N@@H+](Cc1c[nH+]cn1C)C1CCCCC1 ZINC000490852996 488025818 /nfs/dbraw/zinc/02/58/18/488025818.db2.gz PBHWIUSBKFDANX-UHFFFAOYSA-N 2 2 231.343 2.188 20 30 BEEDLP C#CC[N@H+](Cc1c[nH+]cn1C)C1CCCCC1 ZINC000490852996 488025822 /nfs/dbraw/zinc/02/58/22/488025822.db2.gz PBHWIUSBKFDANX-UHFFFAOYSA-N 2 2 231.343 2.188 20 30 BEEDLP C=CC[N@@H+](CCc1c[nH+]cn1C)C(C)(C)C ZINC000661759489 488037065 /nfs/dbraw/zinc/03/70/65/488037065.db2.gz HTBWINOGSDJSGI-UHFFFAOYSA-N 2 2 221.348 2.249 20 30 BEEDLP C=CC[N@H+](CCc1c[nH+]cn1C)C(C)(C)C ZINC000661759489 488037070 /nfs/dbraw/zinc/03/70/70/488037070.db2.gz HTBWINOGSDJSGI-UHFFFAOYSA-N 2 2 221.348 2.249 20 30 BEEDLP C=CCC[C@@H](C)[NH2+][C@H]1CC[N@@H+](CCC)C1 ZINC000389339384 488090785 /nfs/dbraw/zinc/09/07/85/488090785.db2.gz IXEQSCCLCNFZJV-OLZOCXBDSA-N 2 2 210.365 2.415 20 30 BEEDLP C=CCC[C@@H](C)[NH2+][C@H]1CC[N@H+](CCC)C1 ZINC000389339384 488090788 /nfs/dbraw/zinc/09/07/88/488090788.db2.gz IXEQSCCLCNFZJV-OLZOCXBDSA-N 2 2 210.365 2.415 20 30 BEEDLP C=CC[N@H+](Cc1cccs1)C[C@@H](C)[NH3+] ZINC000261529563 534841169 /nfs/dbraw/zinc/84/11/69/534841169.db2.gz BBCHKYJUKHQSFL-SNVBAGLBSA-N 2 2 210.346 2.083 20 30 BEEDLP C=CC[N@@H+](Cc1cccs1)C[C@@H](C)[NH3+] ZINC000261529563 534841173 /nfs/dbraw/zinc/84/11/73/534841173.db2.gz BBCHKYJUKHQSFL-SNVBAGLBSA-N 2 2 210.346 2.083 20 30 BEEDLP C=CC[C@H](C)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000878058947 583359564 /nfs/dbraw/zinc/35/95/64/583359564.db2.gz DVVVRRLAZWUBHA-STQMWFEESA-N 2 2 219.332 2.485 20 30 BEEDLP C=CC[C@H](C)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000878058947 583359566 /nfs/dbraw/zinc/35/95/66/583359566.db2.gz DVVVRRLAZWUBHA-STQMWFEESA-N 2 2 219.332 2.485 20 30 BEEDLP CC[N@@H+](CC#Cc1ccccc1)CCC[NH+](C)C ZINC000894470187 583469413 /nfs/dbraw/zinc/46/94/13/583469413.db2.gz DVRARDLFMBQEQD-UHFFFAOYSA-N 2 2 244.382 2.312 20 30 BEEDLP CC[N@H+](CC#Cc1ccccc1)CCC[NH+](C)C ZINC000894470187 583469414 /nfs/dbraw/zinc/46/94/14/583469414.db2.gz DVRARDLFMBQEQD-UHFFFAOYSA-N 2 2 244.382 2.312 20 30 BEEDLP C#CCCCCCC[NH2+][C@H]1CC[N@@H+](C)[C@@H]1C ZINC000896556156 583811714 /nfs/dbraw/zinc/81/17/14/583811714.db2.gz SQIDIRZFSCZWIC-KGLIPLIRSA-N 2 2 222.376 2.252 20 30 BEEDLP C#CCCCCCC[NH2+][C@H]1CC[N@H+](C)[C@@H]1C ZINC000896556156 583811711 /nfs/dbraw/zinc/81/17/11/583811711.db2.gz SQIDIRZFSCZWIC-KGLIPLIRSA-N 2 2 222.376 2.252 20 30 BEEDLP C=CCOc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)C2)c1 ZINC000729682559 584022685 /nfs/dbraw/zinc/02/26/85/584022685.db2.gz VDOPEHVIAPBJAF-CQSZACIVSA-N 2 2 246.354 2.045 20 30 BEEDLP C=CCOc1cccc(C[NH2+][C@@H]2CC[N@H+](C)C2)c1 ZINC000729682559 584022687 /nfs/dbraw/zinc/02/26/87/584022687.db2.gz VDOPEHVIAPBJAF-CQSZACIVSA-N 2 2 246.354 2.045 20 30 BEEDLP CC(=[NH+]OC1CCCCC1)c1c[nH]c(N)[nH+]1 ZINC000901222774 584411174 /nfs/dbraw/zinc/41/11/74/584411174.db2.gz SFFXPILLIFWKQP-UHFFFAOYSA-N 2 2 222.292 2.065 20 30 BEEDLP C=CC[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@H]1C)c1ccncc1 ZINC000766020449 585495939 /nfs/dbraw/zinc/49/59/39/585495939.db2.gz PVLGECOCKJIEIP-SNPRPXQTSA-N 2 2 245.370 2.239 20 30 BEEDLP C=CC[C@H]([NH2+][C@H]1C[N@H+](C)C[C@H]1C)c1ccncc1 ZINC000766020449 585495940 /nfs/dbraw/zinc/49/59/40/585495940.db2.gz PVLGECOCKJIEIP-SNPRPXQTSA-N 2 2 245.370 2.239 20 30 BEEDLP CCC#C[C@H](C)[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000770025366 585569767 /nfs/dbraw/zinc/56/97/67/585569767.db2.gz LWRAWPRGAQRHOV-UONOGXRCSA-N 2 2 245.370 2.401 20 30 BEEDLP CCC#C[C@H](C)[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000770025366 585569768 /nfs/dbraw/zinc/56/97/68/585569768.db2.gz LWRAWPRGAQRHOV-UONOGXRCSA-N 2 2 245.370 2.401 20 30 BEEDLP CN(C)c1cc[nH+]cc1C=[NH+]OC/C=C/Cl ZINC000811667709 586564879 /nfs/dbraw/zinc/56/48/79/586564879.db2.gz BLHDJOYOJLZXDT-CVKONFARSA-N 2 2 239.706 2.251 20 30 BEEDLP C=C(Cl)C[NH2+][C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000817903581 586835728 /nfs/dbraw/zinc/83/57/28/586835728.db2.gz FWFVEAOWHMVDDS-DGCLKSJQSA-N 2 2 238.762 2.287 20 30 BEEDLP C=C(Cl)C[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000817903582 586835935 /nfs/dbraw/zinc/83/59/35/586835935.db2.gz FWFVEAOWHMVDDS-WCQYABFASA-N 2 2 238.762 2.287 20 30 BEEDLP C=CC[N@H+](Cc1c[nH+]c(C)n1C)C(C)C ZINC000824580724 587277666 /nfs/dbraw/zinc/27/76/66/587277666.db2.gz JFXZUAGQDXAKCP-UHFFFAOYSA-N 2 2 207.321 2.125 20 30 BEEDLP C=CC[N@@H+](Cc1c[nH+]c(C)n1C)C(C)C ZINC000824580724 587277668 /nfs/dbraw/zinc/27/76/68/587277668.db2.gz JFXZUAGQDXAKCP-UHFFFAOYSA-N 2 2 207.321 2.125 20 30 BEEDLP CC[N@@H+]1CC[C@H]([NH2+]CC2(C#N)CCCC2)[C@H](C)C1 ZINC000846011772 588253548 /nfs/dbraw/zinc/25/35/48/588253548.db2.gz ZBMNSWXDQFJBBN-KGLIPLIRSA-N 2 2 249.402 2.390 20 30 BEEDLP CC[N@H+]1CC[C@H]([NH2+]CC2(C#N)CCCC2)[C@H](C)C1 ZINC000846011772 588253549 /nfs/dbraw/zinc/25/35/49/588253549.db2.gz ZBMNSWXDQFJBBN-KGLIPLIRSA-N 2 2 249.402 2.390 20 30 BEEDLP C#C[C@@H]1CCC[N@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000848923377 588421501 /nfs/dbraw/zinc/42/15/01/588421501.db2.gz CSQYDOLGVMQZAL-CYBMUJFWSA-N 2 2 239.322 2.180 20 30 BEEDLP C#C[C@@H]1CCC[N@@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000848923377 588421502 /nfs/dbraw/zinc/42/15/02/588421502.db2.gz CSQYDOLGVMQZAL-CYBMUJFWSA-N 2 2 239.322 2.180 20 30 BEEDLP C[C@@H](CC/[NH+]=C\c1ccccc1O)[NH+](C)C ZINC000849170497 588459551 /nfs/dbraw/zinc/45/95/51/588459551.db2.gz QEYBKKBYSKMQLH-HKLRHMNMSA-N 2 2 220.316 2.151 20 30 BEEDLP C#C[C@H]1CC[C@H]([NH2+][C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000872139319 589880365 /nfs/dbraw/zinc/88/03/65/589880365.db2.gz BSINKYWFFNLUPJ-TUVASFSCSA-N 2 2 246.398 2.393 20 30 BEEDLP C#C[C@H]1CC[C@H]([NH2+][C@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC1 ZINC000872139319 589880367 /nfs/dbraw/zinc/88/03/67/589880367.db2.gz BSINKYWFFNLUPJ-TUVASFSCSA-N 2 2 246.398 2.393 20 30 BEEDLP C#C[C@H]1CC[C@H]([NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)CC1 ZINC000872140250 589881358 /nfs/dbraw/zinc/88/13/58/589881358.db2.gz HIEZBQSRWKWRJU-IXYNUQLISA-N 2 2 246.398 2.251 20 30 BEEDLP C#C[C@H]1CC[C@H]([NH2+][C@@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC000872140250 589881360 /nfs/dbraw/zinc/88/13/60/589881360.db2.gz HIEZBQSRWKWRJU-IXYNUQLISA-N 2 2 246.398 2.251 20 30 BEEDLP C#CCCCCCC[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000876985948 590265331 /nfs/dbraw/zinc/26/53/31/590265331.db2.gz XULTYVGKEHGJER-AWEZNQCLSA-N 2 2 222.376 2.254 20 30 BEEDLP C#CCCCCCC[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000876985948 590265332 /nfs/dbraw/zinc/26/53/32/590265332.db2.gz XULTYVGKEHGJER-AWEZNQCLSA-N 2 2 222.376 2.254 20 30 BEEDLP C#CCCCCCC[NH2+]CC1([NH+](C)C)CC1 ZINC000877593554 590368926 /nfs/dbraw/zinc/36/89/26/590368926.db2.gz DGPRKFQVEPWWHS-UHFFFAOYSA-N 2 2 222.376 2.254 20 30 BEEDLP C=CC[C@H](C)[NH+]1CCN(c2c[nH+]ccc2C)CC1 ZINC000878550874 590590965 /nfs/dbraw/zinc/59/09/65/590590965.db2.gz GOMNRAHMLKAMJQ-AWEZNQCLSA-N 2 2 245.370 2.477 20 30 BEEDLP C=CCC[C@H]([NH2+]C[C@@H](C)[NH+](C)C)[C@@H]1CCCO1 ZINC000883186555 591565084 /nfs/dbraw/zinc/56/50/84/591565084.db2.gz UVWZRGJLVIDRJT-RDBSUJKOSA-N 2 2 240.391 2.040 20 30 BEEDLP C=C(Cl)C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000135834068 592059905 /nfs/dbraw/zinc/05/99/05/592059905.db2.gz SHFZUVVWNBQKKQ-UHFFFAOYSA-N 2 2 216.756 2.201 20 30 BEEDLP CCCCCCCC[N@@H+]1CCO[C@@H](C[NH3+])C1 ZINC000104694443 592621071 /nfs/dbraw/zinc/62/10/71/592621071.db2.gz WFRVMRDYMGPDOC-ZDUSSCGKSA-N 2 2 228.380 2.006 20 30 BEEDLP CCCCCCCC[N@H+]1CCO[C@@H](C[NH3+])C1 ZINC000104694443 592621072 /nfs/dbraw/zinc/62/10/72/592621072.db2.gz WFRVMRDYMGPDOC-ZDUSSCGKSA-N 2 2 228.380 2.006 20 30 BEEDLP Cc1ccc(C[NH2+][C@H]2CCC[NH2+][C@@H]2C)cc1C#N ZINC000925838325 635498917 /nfs/dbraw/zinc/49/89/17/635498917.db2.gz LRAJHXWITZIADL-DOMZBBRYSA-N 2 2 243.354 2.097 20 30 BEEDLP CC[N@H+]1CCC[C@H]([NH2+][C@H](C)CC(C)(C)C#N)C1 ZINC000924746997 637071170 /nfs/dbraw/zinc/07/11/70/637071170.db2.gz HTNPNIGORMNSQT-OLZOCXBDSA-N 2 2 237.391 2.389 20 30 BEEDLP CC[N@@H+]1CCC[C@H]([NH2+][C@H](C)CC(C)(C)C#N)C1 ZINC000924746997 637071163 /nfs/dbraw/zinc/07/11/63/637071163.db2.gz HTNPNIGORMNSQT-OLZOCXBDSA-N 2 2 237.391 2.389 20 30 BEEDLP C=CCCC[N@@H+](CC)CCn1cc[nH+]c1 ZINC000934646989 641231195 /nfs/dbraw/zinc/23/11/95/641231195.db2.gz QJHYXBLNQAPZCM-UHFFFAOYSA-N 2 2 207.321 2.171 20 30 BEEDLP C=CCCC[N@H+](CC)CCn1cc[nH+]c1 ZINC000934646989 641231200 /nfs/dbraw/zinc/23/12/00/641231200.db2.gz QJHYXBLNQAPZCM-UHFFFAOYSA-N 2 2 207.321 2.171 20 30 BEEDLP C[C@@H](CC(C)(C)C#N)[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000925013395 646156776 /nfs/dbraw/zinc/15/67/76/646156776.db2.gz VADVJFAGLWRSIL-GXTWGEPZSA-N 2 2 249.402 2.389 20 30 BEEDLP C[C@@H](CC(C)(C)C#N)[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000925013395 646156785 /nfs/dbraw/zinc/15/67/85/646156785.db2.gz VADVJFAGLWRSIL-GXTWGEPZSA-N 2 2 249.402 2.389 20 30 BEEDLP C=C[C@H](C)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000925258264 646223114 /nfs/dbraw/zinc/22/31/14/646223114.db2.gz UBKSCMBKXDBIQA-RWMBFGLXSA-N 2 2 208.349 2.167 20 30 BEEDLP C=C[C@H](C)[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000925258264 646223121 /nfs/dbraw/zinc/22/31/21/646223121.db2.gz UBKSCMBKXDBIQA-RWMBFGLXSA-N 2 2 208.349 2.167 20 30 BEEDLP C[NH+]1C[C@@]2(C)C[NH+](CCC(C)(C)C#N)C[C@]2(C)C1 ZINC000706252366 712142822 /nfs/dbraw/zinc/14/28/22/712142822.db2.gz FCPZOWMIOKVDQN-GJZGRUSLSA-N 2 2 249.402 2.200 20 30 BEEDLP CC[C@H](CC#N)[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000715561489 967183532 /nfs/dbraw/zinc/18/35/32/967183532.db2.gz LFNOFHPRGWRZIJ-UPJWGTAASA-N 2 2 223.364 2.141 20 30 BEEDLP CCCC[N@H+](CCC#N)[C@H]1CCC[NH+](C)CC1 ZINC001254522947 969713689 /nfs/dbraw/zinc/71/36/89/969713689.db2.gz KXOGYBLAGZKLGM-AWEZNQCLSA-N 2 2 237.391 2.486 20 30 BEEDLP CCCC[N@@H+](CCC#N)[C@H]1CCC[NH+](C)CC1 ZINC001254522947 969713696 /nfs/dbraw/zinc/71/36/96/969713696.db2.gz KXOGYBLAGZKLGM-AWEZNQCLSA-N 2 2 237.391 2.486 20 30 BEEDLP CCCC[NH+](CCC#N)[C@H]1CCC[N@H+](C)CC1 ZINC001254522947 969713705 /nfs/dbraw/zinc/71/37/05/969713705.db2.gz KXOGYBLAGZKLGM-AWEZNQCLSA-N 2 2 237.391 2.486 20 30 BEEDLP CCCC[NH+](CCC#N)[C@H]1CCC[N@@H+](C)CC1 ZINC001254522947 969713712 /nfs/dbraw/zinc/71/37/12/969713712.db2.gz KXOGYBLAGZKLGM-AWEZNQCLSA-N 2 2 237.391 2.486 20 30 BEEDLP C[C@@H](CCC#N)C[N@@H+]1CCC[NH+]2CCC[C@H]2C1 ZINC001336721774 977882760 /nfs/dbraw/zinc/88/27/60/977882760.db2.gz PCJNEJWSVIIOIX-KBPBESRZSA-N 2 2 235.375 2.096 20 30 BEEDLP C[C@@H](CCC#N)C[N@H+]1CCC[NH+]2CCC[C@H]2C1 ZINC001336721774 977882764 /nfs/dbraw/zinc/88/27/64/977882764.db2.gz PCJNEJWSVIIOIX-KBPBESRZSA-N 2 2 235.375 2.096 20 30 BEEDLP C[C@@H](CCC#N)C[NH+]1CCC[N@@H+]2CCC[C@H]2C1 ZINC001336721774 977882769 /nfs/dbraw/zinc/88/27/69/977882769.db2.gz PCJNEJWSVIIOIX-KBPBESRZSA-N 2 2 235.375 2.096 20 30 BEEDLP C[C@@H](CCC#N)C[NH+]1CCC[N@H+]2CCC[C@H]2C1 ZINC001336721774 977882774 /nfs/dbraw/zinc/88/27/74/977882774.db2.gz PCJNEJWSVIIOIX-KBPBESRZSA-N 2 2 235.375 2.096 20 30 BEEDLP CCCCCCC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001235036602 978959147 /nfs/dbraw/zinc/95/91/47/978959147.db2.gz AJZIVVHTUKIWDN-QWHCGFSZSA-N 2 2 210.365 2.393 20 30 BEEDLP N#C[C@H]1CC[C@@H]([NH2+][C@@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC001254649613 1169237346 /nfs/dbraw/zinc/23/73/46/1169237346.db2.gz QHKAHXLGCAIREW-BFHYXJOUSA-N 2 2 247.386 2.285 20 30 BEEDLP N#C[C@H]1CC[C@@H]([NH2+][C@@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC001254649613 1169237351 /nfs/dbraw/zinc/23/73/51/1169237351.db2.gz QHKAHXLGCAIREW-BFHYXJOUSA-N 2 2 247.386 2.285 20 30 BEEDLP CCCCCCCCC[N@@H+]1CC[NH2+]C[C@H](O)C1 ZINC000310245027 971960340 /nfs/dbraw/zinc/96/03/40/971960340.db2.gz URKHETWHYAHBRM-AWEZNQCLSA-N 2 2 242.407 2.003 20 30 BEEDLP CCCCCCCCC[N@H+]1CC[NH2+]C[C@H](O)C1 ZINC000310245027 971960345 /nfs/dbraw/zinc/96/03/45/971960345.db2.gz URKHETWHYAHBRM-AWEZNQCLSA-N 2 2 242.407 2.003 20 30 BEEDLP CCCCCCC[C@@H](CC)[NH2+]CC1(O)C[NH2+]C1 ZINC001246098649 972153306 /nfs/dbraw/zinc/15/33/06/972153306.db2.gz TZWTZCSFHKVJPU-CYBMUJFWSA-N 2 2 242.407 2.049 20 30 BEEDLP CC[C@@H]([NH2+][C@H]1CCC[NH2+]C1)c1cccc(C#N)c1 ZINC001246312918 972273020 /nfs/dbraw/zinc/27/30/20/972273020.db2.gz DEWVTRNRSWXNIV-LSDHHAIUSA-N 2 2 243.354 2.351 20 30 BEEDLP N#CC1CC[NH+](Cc2c[nH]c3cc[nH+]cc23)CC1 ZINC001140799543 960582114 /nfs/dbraw/zinc/58/21/14/960582114.db2.gz FBLWNLBQEDPQOX-UHFFFAOYSA-N 2 2 240.310 2.298 20 30 BEEDLP C#CC1CC[NH+](Cc2c[nH]c3cc[nH+]cc23)CC1 ZINC001140804958 960605355 /nfs/dbraw/zinc/60/53/55/960605355.db2.gz LSXVIQRJFCZPRZ-UHFFFAOYSA-N 2 2 239.322 2.408 20 30 BEEDLP C[C@H]([NH3+])[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccccc1 ZINC000925702895 960698518 /nfs/dbraw/zinc/69/85/18/960698518.db2.gz FTIYCVMCSSRVHH-DDHJSBNISA-N 2 2 243.354 2.357 20 30 BEEDLP CC[NH+](CC)C1CC[NH+]([C@H]2CC[C@H](C#N)C2)CC1 ZINC001254670026 1169818228 /nfs/dbraw/zinc/81/82/28/1169818228.db2.gz YBOHZSDLVMNQJP-ZFWWWQNUSA-N 2 2 249.402 2.485 20 30 BEEDLP CC[N@H+]([C@H]1CC[C@H](C#N)C1)C1CC[NH+](C)CC1 ZINC001254669740 1169818297 /nfs/dbraw/zinc/81/82/97/1169818297.db2.gz UQHIVIFYIVJXQP-JSGCOSHPSA-N 2 2 235.375 2.095 20 30 BEEDLP CC[N@@H+]([C@H]1CC[C@H](C#N)C1)C1CC[NH+](C)CC1 ZINC001254669740 1169818308 /nfs/dbraw/zinc/81/83/08/1169818308.db2.gz UQHIVIFYIVJXQP-JSGCOSHPSA-N 2 2 235.375 2.095 20 30 BEEDLP C[NH+](C)C1CCC([N@@H+]2CCCC[C@@H]2C#N)CC1 ZINC001168323767 964451862 /nfs/dbraw/zinc/45/18/62/964451862.db2.gz CHASOJABKOPOSF-JXQTWKCFSA-N 2 2 235.375 2.237 20 30 BEEDLP C[NH+](C)C1CCC([N@H+]2CCCC[C@@H]2C#N)CC1 ZINC001168323767 964451869 /nfs/dbraw/zinc/45/18/69/964451869.db2.gz CHASOJABKOPOSF-JXQTWKCFSA-N 2 2 235.375 2.237 20 30 BEEDLP N#Cc1cccc(C[N@H+]2CCC[C@@H]([NH3+])CC2)c1F ZINC001205130431 965932130 /nfs/dbraw/zinc/93/21/30/965932130.db2.gz DXXYKRZUTIOGDA-CYBMUJFWSA-N 2 2 247.317 2.011 20 30 BEEDLP N#Cc1cccc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)c1F ZINC001205130431 965932142 /nfs/dbraw/zinc/93/21/42/965932142.db2.gz DXXYKRZUTIOGDA-CYBMUJFWSA-N 2 2 247.317 2.011 20 30 BEEDLP C=CCOc1ccc(C[NH+]2CC(C)(C[NH3+])C2)cc1 ZINC001206712300 966264272 /nfs/dbraw/zinc/26/42/72/966264272.db2.gz ZPMPFNFHSLEDMS-UHFFFAOYSA-N 2 2 246.354 2.032 20 30 BEEDLP CCCCCCC[N@@H+]1C[C@@H]([NH3+])C2(CC2)C1 ZINC001204904638 967226657 /nfs/dbraw/zinc/22/66/57/967226657.db2.gz UYJASKWEHBOFKA-GFCCVEGCSA-N 2 2 210.365 2.380 20 30 BEEDLP CCCCCCC[N@H+]1C[C@@H]([NH3+])C2(CC2)C1 ZINC001204904638 967226669 /nfs/dbraw/zinc/22/66/69/967226669.db2.gz UYJASKWEHBOFKA-GFCCVEGCSA-N 2 2 210.365 2.380 20 30 BEEDLP C#Cc1ccc(C[N@H+]2C[C@@H](C)CC[C@H]2C[NH3+])cc1 ZINC001205831068 967842425 /nfs/dbraw/zinc/84/24/25/967842425.db2.gz WEZHZHNVCQESLI-BBRMVZONSA-N 2 2 242.366 2.227 20 30 BEEDLP C=CC[NH+](CC=C)C1CC[NH+](CC)CC1 ZINC001169258140 969543668 /nfs/dbraw/zinc/54/36/68/969543668.db2.gz CVKZVCFMFAKQHX-UHFFFAOYSA-N 2 2 208.349 2.145 20 30 BEEDLP N#C[C@@H]1CC[C@H]([NH2+]Cc2ccc3[nH+]ccn3c2)C1 ZINC001254654388 969764798 /nfs/dbraw/zinc/76/47/98/969764798.db2.gz UNURFHJTDAHXJD-YPMHNXCESA-N 2 2 240.310 2.116 20 30 BEEDLP CC(C)[N@H+]([C@@H]1CC[C@@H](C#N)C1)C1CC[NH+](C)CC1 ZINC001254676033 969781520 /nfs/dbraw/zinc/78/15/20/969781520.db2.gz IGGUIHSKYXXGQB-UKRRQHHQSA-N 2 2 249.402 2.483 20 30 BEEDLP CC(C)[N@@H+]([C@@H]1CC[C@@H](C#N)C1)C1CC[NH+](C)CC1 ZINC001254676033 969781526 /nfs/dbraw/zinc/78/15/26/969781526.db2.gz IGGUIHSKYXXGQB-UKRRQHHQSA-N 2 2 249.402 2.483 20 30 BEEDLP C=CCCC[NH2+][C@@H]1CC2CC[NH+](CC2)C1 ZINC001254847477 969804604 /nfs/dbraw/zinc/80/46/04/969804604.db2.gz HPGIHRHZPQTULM-CYBMUJFWSA-N 2 2 208.349 2.027 20 30 BEEDLP CC[C@H](CC#N)[NH2+][C@H]1CC[N@@H+](C(C)C)C[C@@H]1C ZINC001255165569 969976983 /nfs/dbraw/zinc/97/69/83/969976983.db2.gz YMMCBULIWVLAQI-MJBXVCDLSA-N 2 2 237.391 2.387 20 30 BEEDLP CC[C@H](CC#N)[NH2+][C@H]1CC[N@H+](C(C)C)C[C@@H]1C ZINC001255165569 969976991 /nfs/dbraw/zinc/97/69/91/969976991.db2.gz YMMCBULIWVLAQI-MJBXVCDLSA-N 2 2 237.391 2.387 20 30 BEEDLP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1ccc(C#N)o1 ZINC001255951194 970580380 /nfs/dbraw/zinc/58/03/80/970580380.db2.gz NSXJEXPFNSROOF-LBPRGKRZSA-N 2 2 249.358 2.361 20 30 BEEDLP C[C@H](C[NH+](C)C)[NH2+][C@@H](C)Cc1cccc(C#N)c1 ZINC001171178102 972804985 /nfs/dbraw/zinc/80/49/85/972804985.db2.gz CEMJHOXVJDFPOX-QWHCGFSZSA-N 2 2 245.370 2.029 20 30 BEEDLP C[C@H](CCCC#N)[NH2+]CC[NH+]1CCCCC1 ZINC001172476213 974773111 /nfs/dbraw/zinc/77/31/11/974773111.db2.gz IZXGLMABHCPTNY-CYBMUJFWSA-N 2 2 223.364 2.144 20 30 BEEDLP C[C@H](CCCC#N)[NH2+][C@@H](C)C[NH+]1CCCC1 ZINC001172481252 974782660 /nfs/dbraw/zinc/78/26/60/974782660.db2.gz RPLTYRMPTDCBBK-OLZOCXBDSA-N 2 2 223.364 2.143 20 30 BEEDLP C[C@@H](CCCC#N)[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC001172486231 974790558 /nfs/dbraw/zinc/79/05/58/974790558.db2.gz AJFRCDYTFQDLNF-JSGCOSHPSA-N 2 2 235.375 2.143 20 30 BEEDLP C[C@@H](CCCC#N)[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC001172486231 974790563 /nfs/dbraw/zinc/79/05/63/974790563.db2.gz AJFRCDYTFQDLNF-JSGCOSHPSA-N 2 2 235.375 2.143 20 30 BEEDLP C#CC[NH+]1CCC(Nc2ccc(CC)c[nH+]2)CC1 ZINC001336416346 977671477 /nfs/dbraw/zinc/67/14/77/977671477.db2.gz BDZLVMRBLJKNRI-UHFFFAOYSA-N 2 2 243.354 2.154 20 30 BEEDLP CCCCCCC[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001235036602 978959141 /nfs/dbraw/zinc/95/91/41/978959141.db2.gz AJZIVVHTUKIWDN-QWHCGFSZSA-N 2 2 210.365 2.393 20 30 BEEDLP C=CCOc1cccc(C[N@@H+](C)C[C@@H]([NH3+])CC)c1 ZINC001236871023 979775442 /nfs/dbraw/zinc/77/54/42/979775442.db2.gz WGCPJMPPTUIGFO-AWEZNQCLSA-N 2 2 248.370 2.421 20 30 BEEDLP C=CCOc1cccc(C[N@H+](C)C[C@@H]([NH3+])CC)c1 ZINC001236871023 979775446 /nfs/dbraw/zinc/77/54/46/979775446.db2.gz WGCPJMPPTUIGFO-AWEZNQCLSA-N 2 2 248.370 2.421 20 30 BEEDLP CCC#C[C@@H](C)[NH+]1CCC([NH2+]C(C)C)CC1 ZINC001459756026 985598080 /nfs/dbraw/zinc/59/80/80/985598080.db2.gz ZOPFFYDAJBHXNQ-CYBMUJFWSA-N 2 2 222.376 2.251 20 30 BEEDLP C#CC1([NH2+][C@H]2CC[C@@H](C)[NH2+]C2)CCCCC1 ZINC001246461575 987818483 /nfs/dbraw/zinc/81/84/83/987818483.db2.gz DJMUVSHZSIVQPM-OLZOCXBDSA-N 2 2 220.360 2.053 20 30 BEEDLP CCCCCCC[C@H](C)[N@@H+]1C[C@H]([NH3+])C[C@@H](O)C1 ZINC001246538629 987897202 /nfs/dbraw/zinc/89/72/02/987897202.db2.gz IKKROQPKLMRMHA-BFHYXJOUSA-N 2 2 242.407 2.129 20 30 BEEDLP CCCCCCC[C@H](C)[N@H+]1C[C@H]([NH3+])C[C@@H](O)C1 ZINC001246538629 987897209 /nfs/dbraw/zinc/89/72/09/987897209.db2.gz IKKROQPKLMRMHA-BFHYXJOUSA-N 2 2 242.407 2.129 20 30 BEEDLP CCCC[N@H+](CCC#N)[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246769471 988454902 /nfs/dbraw/zinc/45/49/02/988454902.db2.gz KLIFTCJJAHIXKG-CHWSQXEVSA-N 2 2 223.364 2.143 20 30 BEEDLP CCCC[N@@H+](CCC#N)[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246769471 988454911 /nfs/dbraw/zinc/45/49/11/988454911.db2.gz KLIFTCJJAHIXKG-CHWSQXEVSA-N 2 2 223.364 2.143 20 30 BEEDLP C=CCC[C@H]1CCC[N@H+]1CCc1c[nH+]cn1C ZINC001560199769 991409844 /nfs/dbraw/zinc/40/98/44/991409844.db2.gz CPDGSMWODGBSKA-ZDUSSCGKSA-N 2 2 233.359 2.393 20 30 BEEDLP C=CCC[C@H]1CCC[N@@H+]1CCc1c[nH+]cn1C ZINC001560199769 991409848 /nfs/dbraw/zinc/40/98/48/991409848.db2.gz CPDGSMWODGBSKA-ZDUSSCGKSA-N 2 2 233.359 2.393 20 30 BEEDLP CC(C)[C@@H](C[NH3+])C[N@H+](CCC#N)CC(C)(C)C ZINC001575423810 993034401 /nfs/dbraw/zinc/03/44/01/993034401.db2.gz YKYPFOXLJNKYSZ-ZDUSSCGKSA-N 2 2 239.407 2.479 20 30 BEEDLP CC(C)[C@@H](C[NH3+])C[N@@H+](CCC#N)CC(C)(C)C ZINC001575423810 993034406 /nfs/dbraw/zinc/03/44/06/993034406.db2.gz YKYPFOXLJNKYSZ-ZDUSSCGKSA-N 2 2 239.407 2.479 20 30 BEEDLP CC1(C)CCC[N@H+](CC[C@@H]2CCC[NH2+]C2)[C@@H]1C#N ZINC001576433793 993302292 /nfs/dbraw/zinc/30/22/92/993302292.db2.gz KASMAYCLTYKAPZ-UONOGXRCSA-N 2 2 249.402 2.390 20 30 BEEDLP CC1(C)CCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)[C@@H]1C#N ZINC001576433793 993302307 /nfs/dbraw/zinc/30/23/07/993302307.db2.gz KASMAYCLTYKAPZ-UONOGXRCSA-N 2 2 249.402 2.390 20 30 BEEDLP CC[NH+](CC)C1CC[NH+]([C@H](C)CCC#N)CC1 ZINC000829179358 994571808 /nfs/dbraw/zinc/57/18/08/994571808.db2.gz LVLSUWQKNGDWGU-CYBMUJFWSA-N 2 2 237.391 2.485 20 30 BEEDLP C[N@H+](Cc1ccc(C#N)cc1)C1CC[NH+](C)CC1 ZINC000019427356 1170125354 /nfs/dbraw/zinc/12/53/54/1170125354.db2.gz ACAITHJWNHNIRX-UHFFFAOYSA-N 2 2 243.354 2.084 20 30 BEEDLP C[N@@H+](Cc1ccc(C#N)cc1)C1CC[NH+](C)CC1 ZINC000019427356 1170125358 /nfs/dbraw/zinc/12/53/58/1170125358.db2.gz ACAITHJWNHNIRX-UHFFFAOYSA-N 2 2 243.354 2.084 20 30 BEEDLP C=CCOc1ccccc1C[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000422906923 398156832 /nfs/dbraw/zinc/15/68/32/398156832.db2.gz KNVYNTSMQXYTAQ-ZIAGYGMSSA-N 2 2 246.354 2.221 20 30 BEEDLP C[C@H](CCC#N)C[N@@H+]1CCC[C@H]1C[NH+]1CCCC1 ZINC000602449088 349549830 /nfs/dbraw/zinc/54/98/30/349549830.db2.gz CBDAAOSZMBFOPR-CABCVRRESA-N 2 2 249.402 2.486 20 30 BEEDLP C[C@H](CCC#N)C[N@H+]1CCC[C@H]1C[NH+]1CCCC1 ZINC000602449088 349549834 /nfs/dbraw/zinc/54/98/34/349549834.db2.gz CBDAAOSZMBFOPR-CABCVRRESA-N 2 2 249.402 2.486 20 30 BEEDLP C[C@H](CCC#N)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000602458931 349554640 /nfs/dbraw/zinc/55/46/40/349554640.db2.gz QYVNNSDWRPELSZ-ZIAGYGMSSA-N 2 2 246.358 2.460 20 30 BEEDLP C[C@H](CCC#N)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000602458931 349554646 /nfs/dbraw/zinc/55/46/46/349554646.db2.gz QYVNNSDWRPELSZ-ZIAGYGMSSA-N 2 2 246.358 2.460 20 30 BEEDLP CC[N@H+](CC[NH2+]C[C@H](C)CCC#N)C1CC1 ZINC000602525738 349577809 /nfs/dbraw/zinc/57/78/09/349577809.db2.gz IGWQXQFEDPXAOV-GFCCVEGCSA-N 2 2 223.364 2.000 20 30 BEEDLP CC[N@@H+](CC[NH2+]C[C@H](C)CCC#N)C1CC1 ZINC000602525738 349577812 /nfs/dbraw/zinc/57/78/12/349577812.db2.gz IGWQXQFEDPXAOV-GFCCVEGCSA-N 2 2 223.364 2.000 20 30 BEEDLP C[C@@H](CCC#N)C[NH2+]CC[N@@H+]1CCC[C@@H](C)C1 ZINC000602514578 349586872 /nfs/dbraw/zinc/58/68/72/349586872.db2.gz LCCNYGGNDXNJQV-UONOGXRCSA-N 2 2 237.391 2.248 20 30 BEEDLP C[C@@H](CCC#N)C[NH2+]CC[N@H+]1CCC[C@@H](C)C1 ZINC000602514578 349586874 /nfs/dbraw/zinc/58/68/74/349586874.db2.gz LCCNYGGNDXNJQV-UONOGXRCSA-N 2 2 237.391 2.248 20 30 BEEDLP C[C@H](C[NH2+]C1CCC(C#N)CC1)[N@H+](C)C1CC1 ZINC000602544430 349588567 /nfs/dbraw/zinc/58/85/67/349588567.db2.gz RNGLSTMXZKUAGV-PNESKVBLSA-N 2 2 235.375 2.141 20 30 BEEDLP C[C@H](C[NH2+]C1CCC(C#N)CC1)[N@@H+](C)C1CC1 ZINC000602544430 349588571 /nfs/dbraw/zinc/58/85/71/349588571.db2.gz RNGLSTMXZKUAGV-PNESKVBLSA-N 2 2 235.375 2.141 20 30 BEEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C1CCC(C#N)CC1 ZINC000602568722 349620073 /nfs/dbraw/zinc/62/00/73/349620073.db2.gz LFNKMZRLTQUZIH-XZNOPERXSA-N 2 2 247.386 2.141 20 30 BEEDLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C1CCC(C#N)CC1 ZINC000602568722 349620076 /nfs/dbraw/zinc/62/00/76/349620076.db2.gz LFNKMZRLTQUZIH-XZNOPERXSA-N 2 2 247.386 2.141 20 30 BEEDLP C[C@H]1C[C@@H]([NH2+]C2CCC(C#N)CC2)C[N@@H+]1C1CC1 ZINC000602569219 349620313 /nfs/dbraw/zinc/62/03/13/349620313.db2.gz NUUIUWHRUZNXDD-GFJIZPEISA-N 2 2 247.386 2.284 20 30 BEEDLP C[C@H]1C[C@@H]([NH2+]C2CCC(C#N)CC2)C[N@H+]1C1CC1 ZINC000602569219 349620314 /nfs/dbraw/zinc/62/03/14/349620314.db2.gz NUUIUWHRUZNXDD-GFJIZPEISA-N 2 2 247.386 2.284 20 30 BEEDLP C[C@H](CCC#N)C[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000602707590 349700881 /nfs/dbraw/zinc/70/08/81/349700881.db2.gz NWCBSRUGABKWLW-OLZOCXBDSA-N 2 2 237.391 2.389 20 30 BEEDLP C[C@H](CCC#N)C[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000602707590 349700884 /nfs/dbraw/zinc/70/08/84/349700884.db2.gz NWCBSRUGABKWLW-OLZOCXBDSA-N 2 2 237.391 2.389 20 30 BEEDLP N#CCC1(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)CC1 ZINC000602794344 349736515 /nfs/dbraw/zinc/73/65/15/349736515.db2.gz WDIPGXHTCHAIRX-UHFFFAOYSA-N 2 2 244.342 2.283 20 30 BEEDLP N#CCC1(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000602796239 349737841 /nfs/dbraw/zinc/73/78/41/349737841.db2.gz WPELYOXKFOJWDL-LBPRGKRZSA-N 2 2 244.342 2.283 20 30 BEEDLP N#CCC1(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000602796239 349737844 /nfs/dbraw/zinc/73/78/44/349737844.db2.gz WPELYOXKFOJWDL-LBPRGKRZSA-N 2 2 244.342 2.283 20 30 BEEDLP C[N@@H+]1CC[C@H]([NH2+]CCCC#N)[C@H]1c1ccccc1 ZINC000284227666 136287178 /nfs/dbraw/zinc/28/71/78/136287178.db2.gz KCBGBNJTDBKBEU-LSDHHAIUSA-N 2 2 243.354 2.325 20 30 BEEDLP C[N@H+]1CC[C@H]([NH2+]CCCC#N)[C@H]1c1ccccc1 ZINC000284227666 136287179 /nfs/dbraw/zinc/28/71/79/136287179.db2.gz KCBGBNJTDBKBEU-LSDHHAIUSA-N 2 2 243.354 2.325 20 30 BEEDLP CCC1([NH+](C)C)CC[NH+](CC2(CC#N)CC2)CC1 ZINC000602966547 349827070 /nfs/dbraw/zinc/82/70/70/349827070.db2.gz JCGOLCGXCZKADB-UHFFFAOYSA-N 2 2 249.402 2.486 20 30 BEEDLP C[N@H+](CC[C@H]1CCC[NH+]1C)[C@H]1CCC[C@H]1C#N ZINC000602979385 349843846 /nfs/dbraw/zinc/84/38/46/349843846.db2.gz CSEPPWYENQNUOQ-MJBXVCDLSA-N 2 2 235.375 2.095 20 30 BEEDLP C[N@@H+](CC[C@H]1CCC[NH+]1C)[C@H]1CCC[C@H]1C#N ZINC000602979385 349843848 /nfs/dbraw/zinc/84/38/48/349843848.db2.gz CSEPPWYENQNUOQ-MJBXVCDLSA-N 2 2 235.375 2.095 20 30 BEEDLP C[NH+](CC[C@H]1CCC[N@@H+]1C)[C@H]1CCC[C@H]1C#N ZINC000602979385 349843851 /nfs/dbraw/zinc/84/38/51/349843851.db2.gz CSEPPWYENQNUOQ-MJBXVCDLSA-N 2 2 235.375 2.095 20 30 BEEDLP C[NH+](CC[C@H]1CCC[N@H+]1C)[C@H]1CCC[C@H]1C#N ZINC000602979385 349843852 /nfs/dbraw/zinc/84/38/52/349843852.db2.gz CSEPPWYENQNUOQ-MJBXVCDLSA-N 2 2 235.375 2.095 20 30 BEEDLP CC[NH+](CC)CCC[N@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602980554 349846384 /nfs/dbraw/zinc/84/63/84/349846384.db2.gz RGICQDNUFRFGPY-KGLIPLIRSA-N 2 2 237.391 2.342 20 30 BEEDLP CC[NH+](CC)CCC[N@@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602980554 349846389 /nfs/dbraw/zinc/84/63/89/349846389.db2.gz RGICQDNUFRFGPY-KGLIPLIRSA-N 2 2 237.391 2.342 20 30 BEEDLP Cc1ccc2[nH+]cc(C[NH2+]CCCCC#N)n2c1 ZINC000178894413 346968032 /nfs/dbraw/zinc/96/80/32/346968032.db2.gz KHKYYTKCMOLDSS-UHFFFAOYSA-N 2 2 242.326 2.426 20 30 BEEDLP N#CCCCC[NH2+]Cc1cccc2[nH+]ccn21 ZINC000179423319 346983746 /nfs/dbraw/zinc/98/37/46/346983746.db2.gz GJIVCCMYQAUZEF-UHFFFAOYSA-N 2 2 228.299 2.118 20 30 BEEDLP C[N@H+](CCCn1cc[nH+]c1)CCC(C)(C)C#N ZINC000119745876 344861647 /nfs/dbraw/zinc/86/16/47/344861647.db2.gz OWDOGEUWAPZRCQ-UHFFFAOYSA-N 2 2 234.347 2.145 20 30 BEEDLP C[N@@H+](CCCn1cc[nH+]c1)CCC(C)(C)C#N ZINC000119745876 344861648 /nfs/dbraw/zinc/86/16/48/344861648.db2.gz OWDOGEUWAPZRCQ-UHFFFAOYSA-N 2 2 234.347 2.145 20 30 BEEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc(C)o2)CC1 ZINC000237731525 344893617 /nfs/dbraw/zinc/89/36/17/344893617.db2.gz MWEIZQLTYYUFGH-UHFFFAOYSA-N 2 2 234.343 2.328 20 30 BEEDLP C=CCCCCC[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000563638649 323133291 /nfs/dbraw/zinc/13/32/91/323133291.db2.gz RWIHDGZVGCABOB-STQMWFEESA-N 2 2 210.365 2.273 20 30 BEEDLP C=CCCCCC[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000563638649 323133292 /nfs/dbraw/zinc/13/32/92/323133292.db2.gz RWIHDGZVGCABOB-STQMWFEESA-N 2 2 210.365 2.273 20 30 BEEDLP Cc1ccc(CCC[NH2+]CCCC#N)c[nH+]1 ZINC000309612810 347123354 /nfs/dbraw/zinc/12/33/54/347123354.db2.gz ASBNJHZZHKFPPW-UHFFFAOYSA-N 2 2 217.316 2.216 20 30 BEEDLP C=CC[NH+]1CCC([NH2+][C@H]2CC[C@@H]2CC)CC1 ZINC000309703003 347144899 /nfs/dbraw/zinc/14/48/99/347144899.db2.gz NIEHOVQSWWEWJA-JSGCOSHPSA-N 2 2 222.376 2.415 20 30 BEEDLP C=C(C)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591083286 347616086 /nfs/dbraw/zinc/61/60/86/347616086.db2.gz UJBWXICWIGDUPT-GFCCVEGCSA-N 2 2 205.305 2.096 20 30 BEEDLP C=C(C)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591083286 347616088 /nfs/dbraw/zinc/61/60/88/347616088.db2.gz UJBWXICWIGDUPT-GFCCVEGCSA-N 2 2 205.305 2.096 20 30 BEEDLP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1cccc(C#N)c1 ZINC000591570989 347676123 /nfs/dbraw/zinc/67/61/23/347676123.db2.gz PRZDRGOBEHITAW-XUJVJEKNSA-N 2 2 243.354 2.349 20 30 BEEDLP N#CC1(C[NH2+]C2CC[NH+](C3CC3)CC2)CCCC1 ZINC000593654512 347922059 /nfs/dbraw/zinc/92/20/59/347922059.db2.gz FGVDIQBZEHIGOX-UHFFFAOYSA-N 2 2 247.386 2.287 20 30 BEEDLP Cc1[nH+]cc(C[NH2+]CC2CCC(C#N)CC2)n1C ZINC000594937583 348141829 /nfs/dbraw/zinc/14/18/29/348141829.db2.gz RAALUZOXPCAHEU-UHFFFAOYSA-N 2 2 246.358 2.148 20 30 BEEDLP C[NH+](C)CC(C)(C)[NH2+]CCc1ccc(C#N)cc1 ZINC000595529968 348272660 /nfs/dbraw/zinc/27/26/60/348272660.db2.gz LMKULGPJLCCKCW-UHFFFAOYSA-N 2 2 245.370 2.031 20 30 BEEDLP Cc1[nH+]ccn1CCCC[N@@H+]([C@@H](C)C#N)C1CC1 ZINC000595713492 348325309 /nfs/dbraw/zinc/32/53/09/348325309.db2.gz VBNOVFKOEJFBQI-LBPRGKRZSA-N 2 2 246.358 2.348 20 30 BEEDLP Cc1[nH+]ccn1CCCC[N@H+]([C@@H](C)C#N)C1CC1 ZINC000595713492 348325311 /nfs/dbraw/zinc/32/53/11/348325311.db2.gz VBNOVFKOEJFBQI-LBPRGKRZSA-N 2 2 246.358 2.348 20 30 BEEDLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CC[C@@](C)(C#N)C1 ZINC000595835130 348368462 /nfs/dbraw/zinc/36/84/62/348368462.db2.gz ORTLCVQEHGPCSO-KBPBESRZSA-N 2 2 235.375 2.096 20 30 BEEDLP C[N@H+]1CCCC[C@H]1CC[NH+]1CC[C@@](C)(C#N)C1 ZINC000595835130 348368463 /nfs/dbraw/zinc/36/84/63/348368463.db2.gz ORTLCVQEHGPCSO-KBPBESRZSA-N 2 2 235.375 2.096 20 30 BEEDLP C[NH+]1CCCC[C@H]1CC[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595835130 348368466 /nfs/dbraw/zinc/36/84/66/348368466.db2.gz ORTLCVQEHGPCSO-KBPBESRZSA-N 2 2 235.375 2.096 20 30 BEEDLP C[NH+]1CCCC[C@H]1CC[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595835130 348368468 /nfs/dbraw/zinc/36/84/68/348368468.db2.gz ORTLCVQEHGPCSO-KBPBESRZSA-N 2 2 235.375 2.096 20 30 BEEDLP N#CC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCCCC1 ZINC000596654259 348607699 /nfs/dbraw/zinc/60/76/99/348607699.db2.gz ZKTRGLMUOQUOIY-PBWFPOADSA-N 2 2 247.386 2.333 20 30 BEEDLP N#CC1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000161301469 349418798 /nfs/dbraw/zinc/41/87/98/349418798.db2.gz KPRQKSHQRIRBOI-UHFFFAOYSA-N 2 2 235.375 2.098 20 30 BEEDLP C=CCCC[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000605150568 350261538 /nfs/dbraw/zinc/26/15/38/350261538.db2.gz ADWQNAGWWBEVDJ-CYBMUJFWSA-N 2 2 219.332 2.486 20 30 BEEDLP C=CCCC[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000605150568 350261540 /nfs/dbraw/zinc/26/15/40/350261540.db2.gz ADWQNAGWWBEVDJ-CYBMUJFWSA-N 2 2 219.332 2.486 20 30 BEEDLP CC#CCC[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000365622767 350396989 /nfs/dbraw/zinc/39/69/89/350396989.db2.gz KDIPOPGOFOOOOJ-CYBMUJFWSA-N 2 2 231.343 2.013 20 30 BEEDLP CC#CCC[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000365622767 350396991 /nfs/dbraw/zinc/39/69/91/350396991.db2.gz KDIPOPGOFOOOOJ-CYBMUJFWSA-N 2 2 231.343 2.013 20 30 BEEDLP C=CCCCC[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000336780940 191130608 /nfs/dbraw/zinc/13/06/08/191130608.db2.gz SPUWWOHIVURWHS-OCCSQVGLSA-N 2 2 222.376 2.415 20 30 BEEDLP C=CCCCC[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000336780940 191130610 /nfs/dbraw/zinc/13/06/10/191130610.db2.gz SPUWWOHIVURWHS-OCCSQVGLSA-N 2 2 222.376 2.415 20 30 BEEDLP CC1(C)CCCN(CCCn2cc[nH+]c2)[C@H]1C#N ZINC000277715154 351723696 /nfs/dbraw/zinc/72/36/96/351723696.db2.gz ITYMINVMLFPIDV-ZDUSSCGKSA-N 2 2 246.358 2.287 20 30 BEEDLP CC1(C)CCC[N@H+](CCCn2cc[nH+]c2)[C@H]1C#N ZINC000277715154 351723699 /nfs/dbraw/zinc/72/36/99/351723699.db2.gz ITYMINVMLFPIDV-ZDUSSCGKSA-N 2 2 246.358 2.287 20 30 BEEDLP CC1(C)CCC[N@@H+](CCCn2cc[nH+]c2)[C@H]1C#N ZINC000277715154 351723701 /nfs/dbraw/zinc/72/37/01/351723701.db2.gz ITYMINVMLFPIDV-ZDUSSCGKSA-N 2 2 246.358 2.287 20 30 BEEDLP CC[NH+]1CCC([NH2+]CC2(C#N)CCCC2)CC1 ZINC000405160492 351982506 /nfs/dbraw/zinc/98/25/06/351982506.db2.gz XAKUOMLSJQGVLH-UHFFFAOYSA-N 2 2 235.375 2.144 20 30 BEEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)[C@H]2CC2(F)F)CC1 ZINC000638524060 352356837 /nfs/dbraw/zinc/35/68/37/352356837.db2.gz KITGKTLCNBUGBJ-CMPLNLGQSA-N 2 2 244.329 2.270 20 30 BEEDLP C[C@H]([NH2+]CCC#N)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411519132 191191850 /nfs/dbraw/zinc/19/18/50/191191850.db2.gz REPVMDJTWICKMB-STQMWFEESA-N 2 2 235.375 2.143 20 30 BEEDLP C[C@H]([NH2+]CCC#N)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000411519132 191191852 /nfs/dbraw/zinc/19/18/52/191191852.db2.gz REPVMDJTWICKMB-STQMWFEESA-N 2 2 235.375 2.143 20 30 BEEDLP N#CCC[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000020199405 188174772 /nfs/dbraw/zinc/17/47/72/188174772.db2.gz VVCSAMZZQCPYFB-UHFFFAOYSA-N 2 2 243.354 2.154 20 30 BEEDLP C=CC[NH+](CC=C)CCC[NH+](CC)CC ZINC000191435488 353479637 /nfs/dbraw/zinc/47/96/37/353479637.db2.gz CFROHCWKVXSWJX-UHFFFAOYSA-N 2 2 210.365 2.392 20 30 BEEDLP C#CCSCC[NH2+]CCCc1c[nH+]ccc1C ZINC000290200672 353651408 /nfs/dbraw/zinc/65/14/08/353651408.db2.gz CXSVGSDTTBNFGD-UHFFFAOYSA-N 2 2 248.395 2.279 20 30 BEEDLP C=C(C)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000334699522 354491548 /nfs/dbraw/zinc/49/15/48/354491548.db2.gz CFILDMCFUXTGIW-UHFFFAOYSA-N 2 2 205.305 2.165 20 30 BEEDLP C#CCC[N@H+]1CCC[C@H]1CNc1cccc(C)[nH+]1 ZINC000366902664 354677060 /nfs/dbraw/zinc/67/70/60/354677060.db2.gz JYVCBOPVDVZFMX-AWEZNQCLSA-N 2 2 243.354 2.290 20 30 BEEDLP C#CCC[N@@H+]1CCC[C@H]1CNc1cccc(C)[nH+]1 ZINC000366902664 354677064 /nfs/dbraw/zinc/67/70/64/354677064.db2.gz JYVCBOPVDVZFMX-AWEZNQCLSA-N 2 2 243.354 2.290 20 30 BEEDLP C=CC[N@@H+](Cc1ccc(OC)cc1)CC(C)(C)[NH3+] ZINC000346818941 355124076 /nfs/dbraw/zinc/12/40/76/355124076.db2.gz DBMCASSDNZYVPP-UHFFFAOYSA-N 2 2 248.370 2.421 20 30 BEEDLP C=CC[N@H+](Cc1ccc(OC)cc1)CC(C)(C)[NH3+] ZINC000346818941 355124080 /nfs/dbraw/zinc/12/40/80/355124080.db2.gz DBMCASSDNZYVPP-UHFFFAOYSA-N 2 2 248.370 2.421 20 30 BEEDLP C[C@@H](CCC#N)[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000351331140 355980334 /nfs/dbraw/zinc/98/03/34/355980334.db2.gz RLDIKOYHKHZGSC-JSGCOSHPSA-N 2 2 245.326 2.227 20 30 BEEDLP C[C@@H](CCC#N)[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000351331140 355980337 /nfs/dbraw/zinc/98/03/37/355980337.db2.gz RLDIKOYHKHZGSC-JSGCOSHPSA-N 2 2 245.326 2.227 20 30 BEEDLP C[C@H](CCC#N)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000351472190 355997019 /nfs/dbraw/zinc/99/70/19/355997019.db2.gz OVMPPKNESARORX-MCIONIFRSA-N 2 2 246.358 2.458 20 30 BEEDLP C[C@H](CCC#N)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000351472190 355997023 /nfs/dbraw/zinc/99/70/23/355997023.db2.gz OVMPPKNESARORX-MCIONIFRSA-N 2 2 246.358 2.458 20 30 BEEDLP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000420355252 192218630 /nfs/dbraw/zinc/21/86/30/192218630.db2.gz BXIMLNDMDRWDRM-XUJVJEKNSA-N 2 2 243.354 2.034 20 30 BEEDLP C[C@H](CC[NH+](C)C)[NH2+]Cc1ccc(C#N)cc1F ZINC000049557704 356482301 /nfs/dbraw/zinc/48/23/01/356482301.db2.gz VKYRQXODQVDYNK-LLVKDONJSA-N 2 2 249.333 2.127 20 30 BEEDLP CC1(C)CCC[N@@H+]1CC[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000449779314 202033422 /nfs/dbraw/zinc/03/34/22/202033422.db2.gz DASPLDGRYSCZBS-QWHCGFSZSA-N 2 2 235.375 2.143 20 30 BEEDLP CC1(C)CCC[N@H+]1CC[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000449779314 202033423 /nfs/dbraw/zinc/03/34/23/202033423.db2.gz DASPLDGRYSCZBS-QWHCGFSZSA-N 2 2 235.375 2.143 20 30 BEEDLP C[C@H]([NH2+]Cc1c[nH+]c[nH]1)c1cccc(C#N)c1 ZINC000088750852 356807321 /nfs/dbraw/zinc/80/73/21/356807321.db2.gz AOKPOHKMPUKNGF-JTQLQIEISA-N 2 2 226.283 2.132 20 30 BEEDLP C[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@H]1C)c1cccc(C#N)c1 ZINC000610830468 358210874 /nfs/dbraw/zinc/21/08/74/358210874.db2.gz WJJJFOFTIALAHA-TYNCELHUSA-N 2 2 243.354 2.159 20 30 BEEDLP C[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@H]1C)c1cccc(C#N)c1 ZINC000610830468 358210877 /nfs/dbraw/zinc/21/08/77/358210877.db2.gz WJJJFOFTIALAHA-TYNCELHUSA-N 2 2 243.354 2.159 20 30 BEEDLP C[C@H]([NH2+][C@H]1C[N@H+](C)C[C@H]1C)c1cccc(C#N)c1 ZINC000610830469 358210964 /nfs/dbraw/zinc/21/09/64/358210964.db2.gz WJJJFOFTIALAHA-XUJVJEKNSA-N 2 2 243.354 2.159 20 30 BEEDLP C[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@H]1C)c1cccc(C#N)c1 ZINC000610830469 358210967 /nfs/dbraw/zinc/21/09/67/358210967.db2.gz WJJJFOFTIALAHA-XUJVJEKNSA-N 2 2 243.354 2.159 20 30 BEEDLP C=C(CC)C[N@@H+]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000309109299 491145128 /nfs/dbraw/zinc/14/51/28/491145128.db2.gz JEBSLCSVTKAULJ-CYBMUJFWSA-N 2 2 210.365 2.415 20 30 BEEDLP C=C(CC)C[N@H+]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000309109299 491145129 /nfs/dbraw/zinc/14/51/29/491145129.db2.gz JEBSLCSVTKAULJ-CYBMUJFWSA-N 2 2 210.365 2.415 20 30 BEEDLP CC[NH+]1CCC([NH2+]Cc2ccc(C#N)cc2)CC1 ZINC000037978909 360680491 /nfs/dbraw/zinc/68/04/91/360680491.db2.gz PUVQODUTIILEPZ-UHFFFAOYSA-N 2 2 243.354 2.132 20 30 BEEDLP C[C@@H]1C[C@@H]([NH2+]Cc2cc(C#N)cs2)CC[N@@H+]1C ZINC000093492699 361224558 /nfs/dbraw/zinc/22/45/58/361224558.db2.gz CPIAKABGGVTTSI-PWSUYJOCSA-N 2 2 249.383 2.192 20 30 BEEDLP C[C@@H]1C[C@@H]([NH2+]Cc2cc(C#N)cs2)CC[N@H+]1C ZINC000093492699 361224564 /nfs/dbraw/zinc/22/45/64/361224564.db2.gz CPIAKABGGVTTSI-PWSUYJOCSA-N 2 2 249.383 2.192 20 30 BEEDLP C=CCC[C@@H](C)[NH2+]C[C@H](C)[N@H+](C)C1CC1 ZINC000134919462 364419488 /nfs/dbraw/zinc/41/94/88/364419488.db2.gz AVRWMOFWDPZVOB-NEPJUHHUSA-N 2 2 210.365 2.413 20 30 BEEDLP C=CCC[C@@H](C)[NH2+]C[C@H](C)[N@@H+](C)C1CC1 ZINC000134919462 364419492 /nfs/dbraw/zinc/41/94/92/364419492.db2.gz AVRWMOFWDPZVOB-NEPJUHHUSA-N 2 2 210.365 2.413 20 30 BEEDLP CC(C)(CCC#N)C[NH2+]CC[NH+]1CCCCC1 ZINC000135142627 364428371 /nfs/dbraw/zinc/42/83/71/364428371.db2.gz WFSQNBIPCHWPCB-UHFFFAOYSA-N 2 2 237.391 2.392 20 30 BEEDLP N#C[C@H]1CC[C@@H]([NH2+]CCCNc2cccc[nH+]2)C1 ZINC000442774465 192989900 /nfs/dbraw/zinc/98/99/00/192989900.db2.gz ZEVPJGGNZCHTJM-QWHCGFSZSA-N 2 2 244.342 2.165 20 30 BEEDLP C[C@H]1CC[N@H+](CC[NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000581588368 367615000 /nfs/dbraw/zinc/61/50/00/367615000.db2.gz OERUTFKZYAUMRZ-NFOMZHRRSA-N 2 2 249.402 2.390 20 30 BEEDLP C[C@H]1CC[N@@H+](CC[NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000581588368 367615004 /nfs/dbraw/zinc/61/50/04/367615004.db2.gz OERUTFKZYAUMRZ-NFOMZHRRSA-N 2 2 249.402 2.390 20 30 BEEDLP C[N@@H+]1CCC[C@@H]1C[NH2+]CC(C)(C)CCC#N ZINC000164453958 203112729 /nfs/dbraw/zinc/11/27/29/203112729.db2.gz MCYAOPYFDVCZQI-GFCCVEGCSA-N 2 2 223.364 2.000 20 30 BEEDLP C[N@H+]1CCC[C@@H]1C[NH2+]CC(C)(C)CCC#N ZINC000164453958 203112731 /nfs/dbraw/zinc/11/27/31/203112731.db2.gz MCYAOPYFDVCZQI-GFCCVEGCSA-N 2 2 223.364 2.000 20 30 BEEDLP C=CCC[C@@H](CC)[NH2+]CCc1cn(C)c[nH+]1 ZINC000459672778 203332467 /nfs/dbraw/zinc/33/24/67/203332467.db2.gz YHABGYRXQHVUEG-GFCCVEGCSA-N 2 2 221.348 2.297 20 30 BEEDLP C=CC[C@H](C)[C@@H](C)[NH2+]CCc1cn(C)c[nH+]1 ZINC000459658912 203330918 /nfs/dbraw/zinc/33/09/18/203330918.db2.gz JLSQGOABSYDAID-NWDGAFQWSA-N 2 2 221.348 2.153 20 30 BEEDLP C=CC[C@@H](C)[C@H](C)[NH2+]CCc1cn(C)c[nH+]1 ZINC000459658911 203331218 /nfs/dbraw/zinc/33/12/18/203331218.db2.gz JLSQGOABSYDAID-NEPJUHHUSA-N 2 2 221.348 2.153 20 30 BEEDLP CC[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1ccc(C#N)cc1 ZINC000600714941 369560898 /nfs/dbraw/zinc/56/08/98/369560898.db2.gz VVIXJQMAVDMWDF-NILFDRSVSA-N 2 2 243.354 2.349 20 30 BEEDLP N#Cc1cccc(C[N@H+]2CCCCC[C@H]([NH3+])C2)c1 ZINC000602022950 369736707 /nfs/dbraw/zinc/73/67/07/369736707.db2.gz UQZOXTPZCBHZSH-HNNXBMFYSA-N 2 2 243.354 2.262 20 30 BEEDLP N#Cc1cccc(C[N@@H+]2CCCCC[C@H]([NH3+])C2)c1 ZINC000602022950 369736712 /nfs/dbraw/zinc/73/67/12/369736712.db2.gz UQZOXTPZCBHZSH-HNNXBMFYSA-N 2 2 243.354 2.262 20 30 BEEDLP Cc1cc[nH+]cc1CCC[NH2+]C[C@H](C)C#N ZINC000309759990 370255562 /nfs/dbraw/zinc/25/55/62/370255562.db2.gz MHOOOWLMASAPIJ-LLVKDONJSA-N 2 2 217.316 2.072 20 30 BEEDLP C[C@H]1CCC[N@H+](Cc2cccc(C#N)c2)[C@@H]1C[NH3+] ZINC000070175334 371012662 /nfs/dbraw/zinc/01/26/62/371012662.db2.gz BKPYQIPAIATIKN-SWLSCSKDSA-N 2 2 243.354 2.117 20 30 BEEDLP C[C@H]1CCC[N@@H+](Cc2cccc(C#N)c2)[C@@H]1C[NH3+] ZINC000070175334 371012664 /nfs/dbraw/zinc/01/26/64/371012664.db2.gz BKPYQIPAIATIKN-SWLSCSKDSA-N 2 2 243.354 2.117 20 30 BEEDLP C=CC[C@@H](C)[C@H](C)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000624100893 371305914 /nfs/dbraw/zinc/30/59/14/371305914.db2.gz UIGRHHWEVIKLDL-FRRDWIJNSA-N 2 2 210.365 2.271 20 30 BEEDLP C=CC[C@@H](C)[C@H](C)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000624100893 371305920 /nfs/dbraw/zinc/30/59/20/371305920.db2.gz UIGRHHWEVIKLDL-FRRDWIJNSA-N 2 2 210.365 2.271 20 30 BEEDLP C=CC[NH+]1CCC([NH2+][C@H](C)C(C)C)CC1 ZINC000167400986 206145375 /nfs/dbraw/zinc/14/53/75/206145375.db2.gz AFBYAFFLGBFBCA-GFCCVEGCSA-N 2 2 210.365 2.271 20 30 BEEDLP C=CC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC001644474744 1172564463 /nfs/dbraw/zinc/56/44/63/1172564463.db2.gz LITQVCUCXMVEMO-RWMBFGLXSA-N 2 2 208.349 2.120 20 30 BEEDLP C=CC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC001644474744 1172564467 /nfs/dbraw/zinc/56/44/67/1172564467.db2.gz LITQVCUCXMVEMO-RWMBFGLXSA-N 2 2 208.349 2.120 20 30 BEEDLP C=CC[C@H](C)[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC001644474744 1172564472 /nfs/dbraw/zinc/56/44/72/1172564472.db2.gz LITQVCUCXMVEMO-RWMBFGLXSA-N 2 2 208.349 2.120 20 30 BEEDLP C=CC[C@H](C)[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC001644474744 1172564481 /nfs/dbraw/zinc/56/44/81/1172564481.db2.gz LITQVCUCXMVEMO-RWMBFGLXSA-N 2 2 208.349 2.120 20 30 BEEDLP C[C@H](C[NH3+])[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000335467699 384290545 /nfs/dbraw/zinc/29/05/45/384290545.db2.gz BWRLXCCTHSBERQ-IAQYHMDHSA-N 2 2 243.354 2.263 20 30 BEEDLP N#CC[N@H+](CCCn1cc[nH+]c1)C1CCCC1 ZINC000080215684 384525228 /nfs/dbraw/zinc/52/52/28/384525228.db2.gz RYDJXZZGPVBIMC-UHFFFAOYSA-N 2 2 232.331 2.041 20 30 BEEDLP N#CC[N@@H+](CCCn1cc[nH+]c1)C1CCCC1 ZINC000080215684 384525235 /nfs/dbraw/zinc/52/52/35/384525235.db2.gz RYDJXZZGPVBIMC-UHFFFAOYSA-N 2 2 232.331 2.041 20 30 BEEDLP C[C@H](CC#N)[NH+](C)C/C=C/C[N@@H+](C)[C@@H](C)CC#N ZINC000161880879 384536439 /nfs/dbraw/zinc/53/64/39/384536439.db2.gz ZVVIGZNAECGDAF-DLPZHFSESA-N 2 2 248.374 2.011 20 30 BEEDLP C[C@H](CC#N)[NH+](C)C/C=C/C[N@H+](C)[C@@H](C)CC#N ZINC000161880879 384536447 /nfs/dbraw/zinc/53/64/47/384536447.db2.gz ZVVIGZNAECGDAF-DLPZHFSESA-N 2 2 248.374 2.011 20 30 BEEDLP C[C@H](CC#N)[N@@H+](C)C/C=C/C[NH+](C)[C@@H](C)CC#N ZINC000161880879 384536453 /nfs/dbraw/zinc/53/64/53/384536453.db2.gz ZVVIGZNAECGDAF-DLPZHFSESA-N 2 2 248.374 2.011 20 30 BEEDLP C[C@H](CC#N)[N@H+](C)C/C=C/C[NH+](C)[C@@H](C)CC#N ZINC000161880879 384536457 /nfs/dbraw/zinc/53/64/57/384536457.db2.gz ZVVIGZNAECGDAF-DLPZHFSESA-N 2 2 248.374 2.011 20 30 BEEDLP C[C@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)C[N@@H+]1C1CC1 ZINC000449446918 384554713 /nfs/dbraw/zinc/55/47/13/384554713.db2.gz UOFWOPYYIMBRGI-XDQVBPFNSA-N 2 2 247.386 2.284 20 30 BEEDLP C[C@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)C[N@H+]1C1CC1 ZINC000449446918 384554716 /nfs/dbraw/zinc/55/47/16/384554716.db2.gz UOFWOPYYIMBRGI-XDQVBPFNSA-N 2 2 247.386 2.284 20 30 BEEDLP CC[C@H]([NH3+])C[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000423463545 384575482 /nfs/dbraw/zinc/57/54/82/384575482.db2.gz LHOHFEFGEIGQEM-SKDRFNHKSA-N 2 2 235.306 2.085 20 30 BEEDLP C=C(C)C[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000156470557 384856912 /nfs/dbraw/zinc/85/69/12/384856912.db2.gz VVJWXLZKICLDPV-OLZOCXBDSA-N 2 2 219.332 2.342 20 30 BEEDLP C=C(C)C[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000156470557 384856919 /nfs/dbraw/zinc/85/69/19/384856919.db2.gz VVJWXLZKICLDPV-OLZOCXBDSA-N 2 2 219.332 2.342 20 30 BEEDLP C=CCCCCC[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000564666630 385114900 /nfs/dbraw/zinc/11/49/00/385114900.db2.gz OGUMIZGASJJOCL-UHFFFAOYSA-N 2 2 248.374 2.278 20 30 BEEDLP C#CC[N@@H+](Cc1c[nH+]cn1CC)C1CCCC1 ZINC000491263782 385275224 /nfs/dbraw/zinc/27/52/24/385275224.db2.gz BYERPVFWYQJFTC-UHFFFAOYSA-N 2 2 231.343 2.281 20 30 BEEDLP C#CC[N@H+](Cc1c[nH+]cn1CC)C1CCCC1 ZINC000491263782 385275229 /nfs/dbraw/zinc/27/52/29/385275229.db2.gz BYERPVFWYQJFTC-UHFFFAOYSA-N 2 2 231.343 2.281 20 30 BEEDLP C=CCOc1ccccc1C[NH2+]CC1([NH3+])CCC1 ZINC000414892198 386147827 /nfs/dbraw/zinc/14/78/27/386147827.db2.gz WTZGQNAPZMPJOO-UHFFFAOYSA-N 2 2 246.354 2.222 20 30 BEEDLP C=CCOc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@@H]2C)cc1 ZINC000414768574 386443346 /nfs/dbraw/zinc/44/33/46/386443346.db2.gz KUMIVOYPLSNNTJ-WFASDCNBSA-N 2 2 246.354 2.173 20 30 BEEDLP C=CCOc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H]2C)cc1 ZINC000414768574 386443348 /nfs/dbraw/zinc/44/33/48/386443348.db2.gz KUMIVOYPLSNNTJ-WFASDCNBSA-N 2 2 246.354 2.173 20 30 BEEDLP C=CC[N@@H+](CCc1ccccc1)C[C@H](C)[NH3+] ZINC000442664838 386412363 /nfs/dbraw/zinc/41/23/63/386412363.db2.gz KVINKWULJQRBJC-ZDUSSCGKSA-N 2 2 218.344 2.064 20 30 BEEDLP C=CC[N@H+](CCc1ccccc1)C[C@H](C)[NH3+] ZINC000442664838 386412367 /nfs/dbraw/zinc/41/23/67/386412367.db2.gz KVINKWULJQRBJC-ZDUSSCGKSA-N 2 2 218.344 2.064 20 30 BEEDLP C[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000442712243 386528740 /nfs/dbraw/zinc/52/87/40/386528740.db2.gz UKKFIVQJMUDOSM-MGPQQGTHSA-N 2 2 235.375 2.143 20 30 BEEDLP C[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000442712243 386528745 /nfs/dbraw/zinc/52/87/45/386528745.db2.gz UKKFIVQJMUDOSM-MGPQQGTHSA-N 2 2 235.375 2.143 20 30 BEEDLP CC1CC[NH+](CC[NH2+][C@@H]2CC[C@H](C#N)C2)CC1 ZINC000442725922 386578136 /nfs/dbraw/zinc/57/81/36/386578136.db2.gz QOIMCRZXBITQPY-UONOGXRCSA-N 2 2 235.375 2.000 20 30 BEEDLP C=CC[C@H](CC)[NH2+][C@H]1C[N@H+](CC)C[C@H]1C ZINC000336739302 386879610 /nfs/dbraw/zinc/87/96/10/386879610.db2.gz SKGPPVKPNGGTFY-AGIUHOORSA-N 2 2 210.365 2.271 20 30 BEEDLP C=CC[C@H](CC)[NH2+][C@H]1C[N@@H+](CC)C[C@H]1C ZINC000336739302 386879614 /nfs/dbraw/zinc/87/96/14/386879614.db2.gz SKGPPVKPNGGTFY-AGIUHOORSA-N 2 2 210.365 2.271 20 30 BEEDLP CC[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H](C)C#N ZINC000228756645 387124038 /nfs/dbraw/zinc/12/40/38/387124038.db2.gz WHZHWKPDYDOELD-UONOGXRCSA-N 2 2 237.391 2.342 20 30 BEEDLP CC[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H](C)C#N ZINC000228756645 387124046 /nfs/dbraw/zinc/12/40/46/387124046.db2.gz WHZHWKPDYDOELD-UONOGXRCSA-N 2 2 237.391 2.342 20 30 BEEDLP CC[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@@H](C)C#N ZINC000228756645 387124054 /nfs/dbraw/zinc/12/40/54/387124054.db2.gz WHZHWKPDYDOELD-UONOGXRCSA-N 2 2 237.391 2.342 20 30 BEEDLP CC[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@@H](C)C#N ZINC000228756645 387124058 /nfs/dbraw/zinc/12/40/58/387124058.db2.gz WHZHWKPDYDOELD-UONOGXRCSA-N 2 2 237.391 2.342 20 30 BEEDLP C=CCC[C@@H]([NH2+][C@H](C)C[NH3+])c1ccco1 ZINC000423319829 387161408 /nfs/dbraw/zinc/16/14/08/387161408.db2.gz FPYUEGDDCTYRAN-GHMZBOCLSA-N 2 2 208.305 2.224 20 30 BEEDLP C=CCC[C@@H]([NH2+][C@@H](C)C[NH3+])c1ccco1 ZINC000423360491 387214053 /nfs/dbraw/zinc/21/40/53/387214053.db2.gz FPYUEGDDCTYRAN-WDEREUQCSA-N 2 2 208.305 2.224 20 30 BEEDLP C=CC(C)(C)CC[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000527734776 387681919 /nfs/dbraw/zinc/68/19/19/387681919.db2.gz JMEIYBBSZVFRRF-VXGBXAGGSA-N 2 2 210.365 2.128 20 30 BEEDLP C=CC(C)(C)CC[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000527734776 387681924 /nfs/dbraw/zinc/68/19/24/387681924.db2.gz JMEIYBBSZVFRRF-VXGBXAGGSA-N 2 2 210.365 2.128 20 30 BEEDLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CC2CCC(C#N)CC2)C1 ZINC000441389439 387755856 /nfs/dbraw/zinc/75/58/56/387755856.db2.gz ZLSQXHCVLDETLR-VXGQWTEUSA-N 2 2 249.402 2.246 20 30 BEEDLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CC2CCC(C#N)CC2)C1 ZINC000441389439 387755860 /nfs/dbraw/zinc/75/58/60/387755860.db2.gz ZLSQXHCVLDETLR-VXGQWTEUSA-N 2 2 249.402 2.246 20 30 BEEDLP N#C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)C1 ZINC000528001145 387808061 /nfs/dbraw/zinc/80/80/61/387808061.db2.gz LPOWCSVSZZBKTP-IPYPFGDCSA-N 2 2 247.386 2.285 20 30 BEEDLP N#C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)C1 ZINC000528001145 387808064 /nfs/dbraw/zinc/80/80/64/387808064.db2.gz LPOWCSVSZZBKTP-IPYPFGDCSA-N 2 2 247.386 2.285 20 30 BEEDLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000442726221 387830265 /nfs/dbraw/zinc/83/02/65/387830265.db2.gz RVJXQFSIMHYYGE-MCIONIFRSA-N 2 2 235.375 2.143 20 30 BEEDLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000442726219 387830973 /nfs/dbraw/zinc/83/09/73/387830973.db2.gz RVJXQFSIMHYYGE-HZSPNIEDSA-N 2 2 235.375 2.143 20 30 BEEDLP N#C[C@@H]1CC[C@H]([NH2+]CCCNc2cccc[nH+]2)C1 ZINC000442774463 387837634 /nfs/dbraw/zinc/83/76/34/387837634.db2.gz ZEVPJGGNZCHTJM-OLZOCXBDSA-N 2 2 244.342 2.165 20 30 BEEDLP C[C@H](C[NH2+][C@@H]1CC[C@H](C#N)C1)[NH+]1CCC(C)CC1 ZINC000442792711 387841422 /nfs/dbraw/zinc/84/14/22/387841422.db2.gz MWRPIHHACDPLBI-QLFBSQMISA-N 2 2 249.402 2.389 20 30 BEEDLP C[C@H](C[NH2+][C@@H]1CC[C@@H](C#N)C1)[NH+]1CCC(C)CC1 ZINC000442792712 387841796 /nfs/dbraw/zinc/84/17/96/387841796.db2.gz MWRPIHHACDPLBI-RBSFLKMASA-N 2 2 249.402 2.389 20 30 BEEDLP C#C[C@H](C)[N@H+](C)CCCc1ccc(C)[nH+]c1 ZINC000490740071 388251717 /nfs/dbraw/zinc/25/17/17/388251717.db2.gz MFYNBHMISSBEGW-ZDUSSCGKSA-N 2 2 216.328 2.276 20 30 BEEDLP C#C[C@H](C)[N@@H+](C)CCCc1ccc(C)[nH+]c1 ZINC000490740071 388251718 /nfs/dbraw/zinc/25/17/18/388251718.db2.gz MFYNBHMISSBEGW-ZDUSSCGKSA-N 2 2 216.328 2.276 20 30 BEEDLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000449446214 388208452 /nfs/dbraw/zinc/20/84/52/388208452.db2.gz OXFFFQYKYFDXOK-ABHRYQDASA-N 2 2 247.386 2.141 20 30 BEEDLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000449446214 388208454 /nfs/dbraw/zinc/20/84/54/388208454.db2.gz OXFFFQYKYFDXOK-ABHRYQDASA-N 2 2 247.386 2.141 20 30 BEEDLP C#C[C@@H]([NH2+]Cc1c[nH+]c2c(C)cccn12)C(C)C ZINC000491659194 388308747 /nfs/dbraw/zinc/30/87/47/388308747.db2.gz CHOARWBGYUUAAB-CQSZACIVSA-N 2 2 241.338 2.390 20 30 BEEDLP C#CC[N@H+](Cc1cc[nH+]c(N)c1)C1CCCCC1 ZINC000491821275 388324042 /nfs/dbraw/zinc/32/40/42/388324042.db2.gz UYUYDLVBENDCOI-UHFFFAOYSA-N 2 2 243.354 2.262 20 30 BEEDLP C[C@H]([NH2+]CCn1cc[nH+]c1)c1ccc(C#N)cc1 ZINC000041119094 388432454 /nfs/dbraw/zinc/43/24/54/388432454.db2.gz OKIISZFJYLEYEM-LBPRGKRZSA-N 2 2 240.310 2.106 20 30 BEEDLP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000063191727 388659829 /nfs/dbraw/zinc/65/98/29/388659829.db2.gz XVRSTOJMUBGRSL-IUODEOHRSA-N 2 2 243.354 2.260 20 30 BEEDLP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1 ZINC000063191727 388659831 /nfs/dbraw/zinc/65/98/31/388659831.db2.gz XVRSTOJMUBGRSL-IUODEOHRSA-N 2 2 243.354 2.260 20 30 BEEDLP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(C#N)o2)CC[N@@H+]1C ZINC000093644183 388745509 /nfs/dbraw/zinc/74/55/09/388745509.db2.gz KUEJTBJIJDVPCY-VXGBXAGGSA-N 2 2 247.342 2.066 20 30 BEEDLP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(C#N)o2)CC[N@H+]1C ZINC000093644183 388745511 /nfs/dbraw/zinc/74/55/11/388745511.db2.gz KUEJTBJIJDVPCY-VXGBXAGGSA-N 2 2 247.342 2.066 20 30 BEEDLP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(C#N)o2)CC[NH+]1C ZINC000093644183 388745514 /nfs/dbraw/zinc/74/55/14/388745514.db2.gz KUEJTBJIJDVPCY-VXGBXAGGSA-N 2 2 247.342 2.066 20 30 BEEDLP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(C#N)o2)CC[NH+]1C ZINC000093644183 388745516 /nfs/dbraw/zinc/74/55/16/388745516.db2.gz KUEJTBJIJDVPCY-VXGBXAGGSA-N 2 2 247.342 2.066 20 30 BEEDLP CC[C@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccc(C#N)cc1 ZINC000423179459 388687985 /nfs/dbraw/zinc/68/79/85/388687985.db2.gz DJSZOOSBYHPWSM-CABCVRRESA-N 2 2 243.354 2.351 20 30 BEEDLP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1ccc(C#N)c(F)c1 ZINC000423229796 388689396 /nfs/dbraw/zinc/68/93/96/388689396.db2.gz CBIHEXMQMNUJTK-MFKMUULPSA-N 2 2 247.317 2.100 20 30 BEEDLP C[C@H]([NH2+][C@H]1C[NH2+]CC[C@@H]1C)c1cccc(C#N)c1 ZINC000423358307 388690956 /nfs/dbraw/zinc/69/09/56/388690956.db2.gz JICDPUIJRGUCNU-HUBLWGQQSA-N 2 2 243.354 2.207 20 30 BEEDLP CC[NH2+][C@H](C)C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000423380593 388692808 /nfs/dbraw/zinc/69/28/08/388692808.db2.gz NCAFDWHDSAFUCD-VXGBXAGGSA-N 2 2 231.343 2.207 20 30 BEEDLP C[C@@H]([NH3+])[C@@H](C)[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000423453509 388692824 /nfs/dbraw/zinc/69/28/24/388692824.db2.gz XTDZLZOBXXXNOI-BBBLOLIVSA-N 2 2 235.306 2.084 20 30 BEEDLP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000423478513 388693055 /nfs/dbraw/zinc/69/30/55/388693055.db2.gz USFHZMRCRLOMHO-GXSJLCMTSA-N 2 2 235.306 2.085 20 30 BEEDLP CC#CCC[NH2+]Cc1c[nH+]c2c(C)cccn12 ZINC000360956969 134202688 /nfs/dbraw/zinc/20/26/88/134202688.db2.gz JNIQYLHZKDYCMG-UHFFFAOYSA-N 2 2 227.311 2.146 20 30 BEEDLP C=CC[N@@H+](C)C1CC[NH+](Cc2ccncc2)CC1 ZINC000378382600 134245905 /nfs/dbraw/zinc/24/59/05/134245905.db2.gz HEFHTNKUFHHRIX-UHFFFAOYSA-N 2 2 245.370 2.164 20 30 BEEDLP C=CC[N@H+](C)C1CC[NH+](Cc2ccncc2)CC1 ZINC000378382600 134245906 /nfs/dbraw/zinc/24/59/06/134245906.db2.gz HEFHTNKUFHHRIX-UHFFFAOYSA-N 2 2 245.370 2.164 20 30 BEEDLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](C#N)C2)C[N@@H+]1C1CC1 ZINC000185859162 134397587 /nfs/dbraw/zinc/39/75/87/134397587.db2.gz QNGSKWVUNKUJDI-RQJABVFESA-N 2 2 247.386 2.284 20 30 BEEDLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](C#N)C2)C[N@H+]1C1CC1 ZINC000185859162 134397588 /nfs/dbraw/zinc/39/75/88/134397588.db2.gz QNGSKWVUNKUJDI-RQJABVFESA-N 2 2 247.386 2.284 20 30 BEEDLP CC#CCC[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000248388834 135001994 /nfs/dbraw/zinc/00/19/94/135001994.db2.gz FRNQOAVERWHGFC-KGLIPLIRSA-N 2 2 231.343 2.179 20 30 BEEDLP CC#CCC[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000248388834 135001995 /nfs/dbraw/zinc/00/19/95/135001995.db2.gz FRNQOAVERWHGFC-KGLIPLIRSA-N 2 2 231.343 2.179 20 30 BEEDLP CC[N@H+](CC[NH2+][C@H]1CCC[C@@H](C#N)C1)C1CC1 ZINC000248730838 135020484 /nfs/dbraw/zinc/02/04/84/135020484.db2.gz DFGONDXVTIUMMT-OLZOCXBDSA-N 2 2 235.375 2.143 20 30 BEEDLP CC[N@@H+](CC[NH2+][C@H]1CCC[C@@H](C#N)C1)C1CC1 ZINC000248730838 135020486 /nfs/dbraw/zinc/02/04/86/135020486.db2.gz DFGONDXVTIUMMT-OLZOCXBDSA-N 2 2 235.375 2.143 20 30 BEEDLP C[C@H](CCC#N)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000298732130 135200506 /nfs/dbraw/zinc/20/05/06/135200506.db2.gz VHVHRZXGQKEFEY-VXGBXAGGSA-N 2 2 232.331 2.281 20 30 BEEDLP C[C@H](CCC#N)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000298732130 135200507 /nfs/dbraw/zinc/20/05/07/135200507.db2.gz VHVHRZXGQKEFEY-VXGBXAGGSA-N 2 2 232.331 2.281 20 30 BEEDLP C[C@@H](CCC#N)[NH+]1CCC(c2c[nH+]cn2C)CC1 ZINC001648645014 1172860870 /nfs/dbraw/zinc/86/08/70/1172860870.db2.gz MQKOLQKSAMUQEM-LBPRGKRZSA-N 2 2 246.358 2.292 20 30 BEEDLP C=CCC[C@H]([NH2+][C@H](C)C[NH2+]C)c1ccco1 ZINC000665298596 410831159 /nfs/dbraw/zinc/83/11/59/410831159.db2.gz YSLOYYHFCKXSIY-NEPJUHHUSA-N 2 2 222.332 2.484 20 30 BEEDLP C=CC[C@H]1CC[C@H]([NH2+]CC[NH+]2CCCC2)C1 ZINC000651749801 411140909 /nfs/dbraw/zinc/14/09/09/411140909.db2.gz KFQGKBFDIIIUIZ-KBPBESRZSA-N 2 2 222.376 2.417 20 30 BEEDLP C=CC[C@@H]1CC[C@@H]([NH2+][C@@H](C)C[NH+](C)C)C1 ZINC000651806990 411144630 /nfs/dbraw/zinc/14/46/30/411144630.db2.gz GPXYPQWXKSVWMT-YNEHKIRRSA-N 2 2 210.365 2.271 20 30 BEEDLP CCC#C[C@@H](C)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000653590464 411424922 /nfs/dbraw/zinc/42/49/22/411424922.db2.gz CLYHZMBMISUEEO-CHWSQXEVSA-N 2 2 231.343 2.011 20 30 BEEDLP CCC#C[C@@H](C)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000653590464 411424925 /nfs/dbraw/zinc/42/49/25/411424925.db2.gz CLYHZMBMISUEEO-CHWSQXEVSA-N 2 2 231.343 2.011 20 30 BEEDLP C[C@H]1C[C@H]([NH2+]Cc2cccc(C#N)c2)CC[N@@H+]1C ZINC000090721808 177370572 /nfs/dbraw/zinc/37/05/72/177370572.db2.gz IEDMVCPJPGMGGU-SWLSCSKDSA-N 2 2 243.354 2.131 20 30 BEEDLP C[C@H]1C[C@H]([NH2+]Cc2cccc(C#N)c2)CC[N@H+]1C ZINC000090721808 177370574 /nfs/dbraw/zinc/37/05/74/177370574.db2.gz IEDMVCPJPGMGGU-SWLSCSKDSA-N 2 2 243.354 2.131 20 30 BEEDLP C[C@H]([NH2+][C@H]1CCCC[NH2+]C1)c1ccc(C#N)cc1 ZINC000335498479 487819815 /nfs/dbraw/zinc/81/98/15/487819815.db2.gz NMXFXTATHQIWQX-WFASDCNBSA-N 2 2 243.354 2.351 20 30 BEEDLP CC[C@H](CC#N)[NH2+]CCc1cc[nH+]cc1C ZINC000582554559 487916494 /nfs/dbraw/zinc/91/64/94/487916494.db2.gz PLBBQTYSQGVGPI-CYBMUJFWSA-N 2 2 217.316 2.214 20 30 BEEDLP CC[C@H](CC#N)[NH2+]CC[C@@H]1CCCC[N@@H+]1C ZINC000566982303 323030426 /nfs/dbraw/zinc/03/04/26/323030426.db2.gz UJFHPYWKTRZBBC-OLZOCXBDSA-N 2 2 223.364 2.143 20 30 BEEDLP CC[C@H](CC#N)[NH2+]CC[C@@H]1CCCC[N@H+]1C ZINC000566982303 323030427 /nfs/dbraw/zinc/03/04/27/323030427.db2.gz UJFHPYWKTRZBBC-OLZOCXBDSA-N 2 2 223.364 2.143 20 30 BEEDLP Cn1c[nH+]cc1CCC[N@H+](CC#N)C1CCCC1 ZINC000314345643 326297940 /nfs/dbraw/zinc/29/79/40/326297940.db2.gz KTQDMIAAXTWARH-UHFFFAOYSA-N 2 2 246.358 2.121 20 30 BEEDLP Cn1c[nH+]cc1CCC[N@@H+](CC#N)C1CCCC1 ZINC000314345643 326297941 /nfs/dbraw/zinc/29/79/41/326297941.db2.gz KTQDMIAAXTWARH-UHFFFAOYSA-N 2 2 246.358 2.121 20 30 BEEDLP C=CCOCC[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000684394081 488305130 /nfs/dbraw/zinc/30/51/30/488305130.db2.gz WSBAYFBPVBDNGM-UHFFFAOYSA-N 2 2 234.343 2.115 20 30 BEEDLP C=C(Cl)C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000372991648 534438357 /nfs/dbraw/zinc/43/83/57/534438357.db2.gz SYGDLMIJEUGTFQ-NSHDSACASA-N 2 2 216.756 2.155 20 30 BEEDLP C=C(Cl)C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000372991648 534438359 /nfs/dbraw/zinc/43/83/59/534438359.db2.gz SYGDLMIJEUGTFQ-NSHDSACASA-N 2 2 216.756 2.155 20 30 BEEDLP C=C[C@H](C)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000119344356 534666590 /nfs/dbraw/zinc/66/65/90/534666590.db2.gz WUYANXLJLAWFLD-LBPRGKRZSA-N 2 2 231.343 2.215 20 30 BEEDLP C[NH+](C)CCC[N@H+](C)Cc1csc(C#N)c1 ZINC000894449815 583459735 /nfs/dbraw/zinc/45/97/35/583459735.db2.gz QLVAXFMMAWBYRR-UHFFFAOYSA-N 2 2 237.372 2.003 20 30 BEEDLP C[NH+](C)CCC[N@@H+](C)Cc1csc(C#N)c1 ZINC000894449815 583459737 /nfs/dbraw/zinc/45/97/37/583459737.db2.gz QLVAXFMMAWBYRR-UHFFFAOYSA-N 2 2 237.372 2.003 20 30 BEEDLP C#CCCCCCC[NH2+][C@@H]1CC[N@H+](C)[C@H]1C ZINC000896556157 583811405 /nfs/dbraw/zinc/81/14/05/583811405.db2.gz SQIDIRZFSCZWIC-UONOGXRCSA-N 2 2 222.376 2.252 20 30 BEEDLP C#CCCCCCC[NH2+][C@@H]1CC[N@@H+](C)[C@H]1C ZINC000896556157 583811407 /nfs/dbraw/zinc/81/14/07/583811407.db2.gz SQIDIRZFSCZWIC-UONOGXRCSA-N 2 2 222.376 2.252 20 30 BEEDLP C[C@H]([NH2+][C@@H]1C[NH2+]CC1(C)C)c1ccc(C#N)cc1 ZINC000902450822 584606797 /nfs/dbraw/zinc/60/67/97/584606797.db2.gz UMMJZCFMDCTYGV-SMDDNHRTSA-N 2 2 243.354 2.207 20 30 BEEDLP C[C@@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1ccc(C#N)cc1 ZINC000902470770 584616215 /nfs/dbraw/zinc/61/62/15/584616215.db2.gz GQCFSYJFSGHUAX-AQNFWKISSA-N 2 2 241.338 2.102 20 30 BEEDLP C=CCC[C@H](CC)[NH2+][C@@H]1CC[N@H+](C)[C@H]1C ZINC000903300944 584745050 /nfs/dbraw/zinc/74/50/50/584745050.db2.gz LFWLYZXQOHGNMF-RWMBFGLXSA-N 2 2 210.365 2.413 20 30 BEEDLP C=CCC[C@H](CC)[NH2+][C@@H]1CC[N@@H+](C)[C@H]1C ZINC000903300944 584745051 /nfs/dbraw/zinc/74/50/51/584745051.db2.gz LFWLYZXQOHGNMF-RWMBFGLXSA-N 2 2 210.365 2.413 20 30 BEEDLP C[C@@H]1[C@H]([NH2+]C2CCC(C)(C#N)CC2)CC[N@@H+]1C ZINC000903301800 584744488 /nfs/dbraw/zinc/74/44/88/584744488.db2.gz UJTYIDFMSIFACN-NELGMTEASA-N 2 2 235.375 2.141 20 30 BEEDLP C[C@@H]1[C@H]([NH2+]C2CCC(C)(C#N)CC2)CC[N@H+]1C ZINC000903301800 584744490 /nfs/dbraw/zinc/74/44/90/584744490.db2.gz UJTYIDFMSIFACN-NELGMTEASA-N 2 2 235.375 2.141 20 30 BEEDLP C=CCC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC000903301857 584744860 /nfs/dbraw/zinc/74/48/60/584744860.db2.gz WERSUMCREACETB-BNOWGMLFSA-N 2 2 222.376 2.413 20 30 BEEDLP C=CCC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC000903301857 584744862 /nfs/dbraw/zinc/74/48/62/584744862.db2.gz WERSUMCREACETB-BNOWGMLFSA-N 2 2 222.376 2.413 20 30 BEEDLP C[NH2+]C[C@H]1CCCC[N@@H+]1CC1CCC(C#N)CC1 ZINC000903482738 584778949 /nfs/dbraw/zinc/77/89/49/584778949.db2.gz RIVNXXIKFZQCAB-YMAMQOFZSA-N 2 2 249.402 2.390 20 30 BEEDLP C[NH2+]C[C@H]1CCCC[N@H+]1CC1CCC(C#N)CC1 ZINC000903482738 584778951 /nfs/dbraw/zinc/77/89/51/584778951.db2.gz RIVNXXIKFZQCAB-YMAMQOFZSA-N 2 2 249.402 2.390 20 30 BEEDLP C[NH2+]CC[N@H+](CC1CCC(C#N)CC1)C(C)C ZINC000903575942 584783842 /nfs/dbraw/zinc/78/38/42/584783842.db2.gz WJHAEIOLUXAVGE-UHFFFAOYSA-N 2 2 237.391 2.246 20 30 BEEDLP C[NH2+]CC[N@@H+](CC1CCC(C#N)CC1)C(C)C ZINC000903575942 584783844 /nfs/dbraw/zinc/78/38/44/584783844.db2.gz WJHAEIOLUXAVGE-UHFFFAOYSA-N 2 2 237.391 2.246 20 30 BEEDLP C[C@@H]([NH2+][C@H]1C[NH2+]C[C@@H](C)C1)c1cccc(C#N)c1 ZINC000903949450 584830123 /nfs/dbraw/zinc/83/01/23/584830123.db2.gz ATVBGDCTPXZVNR-YWPYICTPSA-N 2 2 243.354 2.207 20 30 BEEDLP C=CCC[C@H](C)[NH2+]Cc1cc(N)cc[nH+]1 ZINC000903950563 584831057 /nfs/dbraw/zinc/83/10/57/584831057.db2.gz OGWOJMVGEVQEHM-JTQLQIEISA-N 2 2 205.305 2.108 20 30 BEEDLP CCC#C[C@@H](C)[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000770025371 585569710 /nfs/dbraw/zinc/56/97/10/585569710.db2.gz LWRAWPRGAQRHOV-ZIAGYGMSSA-N 2 2 245.370 2.401 20 30 BEEDLP CCC#C[C@@H](C)[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000770025371 585569711 /nfs/dbraw/zinc/56/97/11/585569711.db2.gz LWRAWPRGAQRHOV-ZIAGYGMSSA-N 2 2 245.370 2.401 20 30 BEEDLP C#CC[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@@H]1C)c1ccccc1 ZINC000773108392 585631333 /nfs/dbraw/zinc/63/13/33/585631333.db2.gz XQBBIIJGFULZTK-BPUTZDHNSA-N 2 2 242.366 2.291 20 30 BEEDLP C#CC[C@H]([NH2+][C@H]1C[N@H+](C)C[C@@H]1C)c1ccccc1 ZINC000773108392 585631334 /nfs/dbraw/zinc/63/13/34/585631334.db2.gz XQBBIIJGFULZTK-BPUTZDHNSA-N 2 2 242.366 2.291 20 30 BEEDLP CN(C)c1ccc(C=[NH+]Nc2cc[nH+]cc2)cc1 ZINC000779808679 585765718 /nfs/dbraw/zinc/76/57/18/585765718.db2.gz NZWZRGQARSXJKW-UHFFFAOYSA-N 2 2 240.310 2.016 20 30 BEEDLP CC(=NNc1cc[nH+]cc1)c1ccc(C)[nH+]c1C ZINC000814899631 586646293 /nfs/dbraw/zinc/64/62/93/586646293.db2.gz FZZOMCOZMMVZPI-UHFFFAOYSA-N 2 2 240.310 2.351 20 30 BEEDLP C=C(Cl)C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000815146273 586670476 /nfs/dbraw/zinc/67/04/76/586670476.db2.gz PJPGABGJOPWGOP-GFCCVEGCSA-N 2 2 228.767 2.157 20 30 BEEDLP C=C(Cl)C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000815146273 586670478 /nfs/dbraw/zinc/67/04/78/586670478.db2.gz PJPGABGJOPWGOP-GFCCVEGCSA-N 2 2 228.767 2.157 20 30 BEEDLP C=C(Cl)C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000815146273 586670479 /nfs/dbraw/zinc/67/04/79/586670479.db2.gz PJPGABGJOPWGOP-GFCCVEGCSA-N 2 2 228.767 2.157 20 30 BEEDLP C=C(Cl)C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000815146273 586670481 /nfs/dbraw/zinc/67/04/81/586670481.db2.gz PJPGABGJOPWGOP-GFCCVEGCSA-N 2 2 228.767 2.157 20 30 BEEDLP C=CC[C@@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]1)c1ccncc1 ZINC000817895299 586835184 /nfs/dbraw/zinc/83/51/84/586835184.db2.gz XQOFMNBQAMKYLR-BPLDGKMQSA-N 2 2 245.370 2.429 20 30 BEEDLP C=C[C@H](C)O[NH+]=Cc1c[nH+]ccc1N(C)C ZINC000844622341 588209988 /nfs/dbraw/zinc/20/99/88/588209988.db2.gz YCTAAVNTRIKIRR-JTQLQIEISA-N 2 2 219.288 2.073 20 30 BEEDLP C#CCCCCCC[NH2+]CCc1cn(C)c[nH+]1 ZINC000877582174 590365445 /nfs/dbraw/zinc/36/54/45/590365445.db2.gz LMQVDKFGNIAUBT-UHFFFAOYSA-N 2 2 233.359 2.136 20 30 BEEDLP C=CC[C@H](C)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000878172733 590515192 /nfs/dbraw/zinc/51/51/92/590515192.db2.gz LOSGIJWHUIGNLW-LBPRGKRZSA-N 2 2 219.332 2.485 20 30 BEEDLP C=CC[C@H](C)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000878302569 590538194 /nfs/dbraw/zinc/53/81/94/590538194.db2.gz QVEJNZCGIWLALY-NWDGAFQWSA-N 2 2 219.332 2.174 20 30 BEEDLP C=CC[C@H](C)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000878302569 590538196 /nfs/dbraw/zinc/53/81/96/590538196.db2.gz QVEJNZCGIWLALY-NWDGAFQWSA-N 2 2 219.332 2.174 20 30 BEEDLP CC#CC[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880572188 591099163 /nfs/dbraw/zinc/09/91/63/591099163.db2.gz YDDZNAZVOORPCQ-HNNXBMFYSA-N 2 2 239.322 2.237 20 30 BEEDLP C[N@H+](Cc1ccc(C#N)o1)C1(C[NH3+])CCCCC1 ZINC000883455162 591672285 /nfs/dbraw/zinc/67/22/85/591672285.db2.gz VMBBUMOHNXKTRB-UHFFFAOYSA-N 2 2 247.342 2.245 20 30 BEEDLP C[N@@H+](Cc1ccc(C#N)o1)C1(C[NH3+])CCCCC1 ZINC000883455162 591672287 /nfs/dbraw/zinc/67/22/87/591672287.db2.gz VMBBUMOHNXKTRB-UHFFFAOYSA-N 2 2 247.342 2.245 20 30 BEEDLP C#Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](CCC)C2)cc1 ZINC000850394720 632974506 /nfs/dbraw/zinc/97/45/06/632974506.db2.gz AQEVCNVOVGQKRZ-MRXNPFEDSA-N 2 2 242.366 2.242 20 30 BEEDLP C#Cc1ccc(C[NH2+][C@@H]2CC[N@H+](CCC)C2)cc1 ZINC000850394720 632974508 /nfs/dbraw/zinc/97/45/08/632974508.db2.gz AQEVCNVOVGQKRZ-MRXNPFEDSA-N 2 2 242.366 2.242 20 30 BEEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cc(C)ccc1F ZINC000328011062 633215005 /nfs/dbraw/zinc/21/50/05/633215005.db2.gz PYBHHISIQZRPHC-UHFFFAOYSA-N 2 2 248.345 2.179 20 30 BEEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cc(C)ccc1F ZINC000328011062 633215007 /nfs/dbraw/zinc/21/50/07/633215007.db2.gz PYBHHISIQZRPHC-UHFFFAOYSA-N 2 2 248.345 2.179 20 30 BEEDLP C[N@H+](Cc1cc(C#N)cs1)C[C@@]1(C)CC[NH2+]C1 ZINC000904469006 637423621 /nfs/dbraw/zinc/42/36/21/637423621.db2.gz HTBNTRAWUZPEPM-ZDUSSCGKSA-N 2 2 249.383 2.051 20 30 BEEDLP C[N@@H+](Cc1cc(C#N)cs1)C[C@@]1(C)CC[NH2+]C1 ZINC000904469006 637423624 /nfs/dbraw/zinc/42/36/24/637423624.db2.gz HTBNTRAWUZPEPM-ZDUSSCGKSA-N 2 2 249.383 2.051 20 30 BEEDLP C#CC[N@@H+](Cc1[nH]c(C)[nH+]c1C)C(C)(C)C ZINC000932460257 640532412 /nfs/dbraw/zinc/53/24/12/640532412.db2.gz IDDAHZZRWLQYMW-UHFFFAOYSA-N 2 2 219.332 2.260 20 30 BEEDLP C#CC[N@H+](Cc1[nH]c(C)[nH+]c1C)C(C)(C)C ZINC000932460257 640532419 /nfs/dbraw/zinc/53/24/19/640532419.db2.gz IDDAHZZRWLQYMW-UHFFFAOYSA-N 2 2 219.332 2.260 20 30 BEEDLP C=C[C@H](C)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000925258270 646223477 /nfs/dbraw/zinc/22/34/77/646223477.db2.gz UBKSCMBKXDBIQA-YNEHKIRRSA-N 2 2 208.349 2.167 20 30 BEEDLP C=C[C@H](C)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000925258270 646223481 /nfs/dbraw/zinc/22/34/81/646223481.db2.gz UBKSCMBKXDBIQA-YNEHKIRRSA-N 2 2 208.349 2.167 20 30 BEEDLP C#CCCCC[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000925526729 646317034 /nfs/dbraw/zinc/31/70/34/646317034.db2.gz KVZGQWCNSDRYPR-HUUCEWRRSA-N 2 2 234.387 2.396 20 30 BEEDLP C#CCCCC[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000925526729 646317040 /nfs/dbraw/zinc/31/70/40/646317040.db2.gz KVZGQWCNSDRYPR-HUUCEWRRSA-N 2 2 234.387 2.396 20 30 BEEDLP C#CCCCC[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000925526730 646317198 /nfs/dbraw/zinc/31/71/98/646317198.db2.gz KVZGQWCNSDRYPR-LSDHHAIUSA-N 2 2 234.387 2.396 20 30 BEEDLP C#CCCCC[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000925526730 646317204 /nfs/dbraw/zinc/31/72/04/646317204.db2.gz KVZGQWCNSDRYPR-LSDHHAIUSA-N 2 2 234.387 2.396 20 30 BEEDLP C=CC[NH+]1CCC([NH2+][C@H]2CC[C@@H]2C)CC1 ZINC000380253017 712846341 /nfs/dbraw/zinc/84/63/41/712846341.db2.gz PQTJWYRBRDFSMH-AAEUAGOBSA-N 2 2 208.349 2.025 20 30 BEEDLP C[NH+]1C[C@]2(C)C[NH+](CCC(C)(C)C#N)C[C@@]2(C)C1 ZINC000706252368 712142794 /nfs/dbraw/zinc/14/27/94/712142794.db2.gz FCPZOWMIOKVDQN-HUUCEWRRSA-N 2 2 249.402 2.200 20 30 BEEDLP CC(C)[N@@H+](C)CC[NH2+][C@H](C)CC(C)(C)C#N ZINC000709998291 712238914 /nfs/dbraw/zinc/23/89/14/712238914.db2.gz RDSALFICLKXCCI-GFCCVEGCSA-N 2 2 225.380 2.245 20 30 BEEDLP CC(C)[N@H+](C)CC[NH2+][C@H](C)CC(C)(C)C#N ZINC000709998291 712238916 /nfs/dbraw/zinc/23/89/16/712238916.db2.gz RDSALFICLKXCCI-GFCCVEGCSA-N 2 2 225.380 2.245 20 30 BEEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CC[C@@H](C)C2)CC1 ZINC000164526655 1165766608 /nfs/dbraw/zinc/76/66/08/1165766608.db2.gz ZLQWOAVEAKLHFJ-TZMCWYRMSA-N 2 2 222.376 2.415 20 30 BEEDLP C#CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000307740101 1167159476 /nfs/dbraw/zinc/15/94/76/1167159476.db2.gz MQJBEZAJDBHIRA-ZBFHGGJFSA-N 2 2 242.366 2.262 20 30 BEEDLP C#CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000307740101 1167159482 /nfs/dbraw/zinc/15/94/82/1167159482.db2.gz MQJBEZAJDBHIRA-ZBFHGGJFSA-N 2 2 242.366 2.262 20 30 BEEDLP C=CCCCC[N@@H+](CCOC)[C@H]1CCC[NH2+]C1 ZINC001236327059 979534967 /nfs/dbraw/zinc/53/49/67/979534967.db2.gz JAWNRNOVYHXQAE-AWEZNQCLSA-N 2 2 240.391 2.043 20 30 BEEDLP C=CCCCC[N@H+](CCOC)[C@H]1CCC[NH2+]C1 ZINC001236327059 979534974 /nfs/dbraw/zinc/53/49/74/979534974.db2.gz JAWNRNOVYHXQAE-AWEZNQCLSA-N 2 2 240.391 2.043 20 30 BEEDLP CC(C)(C)[NH+]1CCC([NH+]2CCC(C#N)CC2)CC1 ZINC001256569187 970865978 /nfs/dbraw/zinc/86/59/78/970865978.db2.gz TXPUBCREWMFURF-UHFFFAOYSA-N 2 2 249.402 2.485 20 30 BEEDLP CC[NH+](CC)CC[NH2+]C1CCC(C#N)CC1 ZINC001256954801 971030853 /nfs/dbraw/zinc/03/08/53/971030853.db2.gz LRZHZNBOJISVDQ-UHFFFAOYSA-N 2 2 223.364 2.000 20 30 BEEDLP C[N@@H+]1CCC[C@H]2C[NH+](C3CCC(C#N)CC3)C[C@@H]21 ZINC001256971654 971049540 /nfs/dbraw/zinc/04/95/40/971049540.db2.gz KZYPBOYSTUOYBV-SHWKFHJASA-N 2 2 247.386 2.095 20 30 BEEDLP C[N@H+]1CCC[C@H]2C[NH+](C3CCC(C#N)CC3)C[C@@H]21 ZINC001256971654 971049554 /nfs/dbraw/zinc/04/95/54/971049554.db2.gz KZYPBOYSTUOYBV-SHWKFHJASA-N 2 2 247.386 2.095 20 30 BEEDLP C[NH+]1CCC[C@H]2C[N@@H+](C3CCC(C#N)CC3)C[C@@H]21 ZINC001256971654 971049564 /nfs/dbraw/zinc/04/95/64/971049564.db2.gz KZYPBOYSTUOYBV-SHWKFHJASA-N 2 2 247.386 2.095 20 30 BEEDLP C[NH+]1CCC[C@H]2C[N@H+](C3CCC(C#N)CC3)C[C@@H]21 ZINC001256971654 971049576 /nfs/dbraw/zinc/04/95/76/971049576.db2.gz KZYPBOYSTUOYBV-SHWKFHJASA-N 2 2 247.386 2.095 20 30 BEEDLP SC1CC[NH+](Cc2c[nH]c3cc[nH+]cc23)CC1 ZINC001140805572 960606035 /nfs/dbraw/zinc/60/60/35/960606035.db2.gz BGAAWGSRBDHHAW-UHFFFAOYSA-N 2 2 247.367 2.457 20 30 BEEDLP C[C@@H](CC#N)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167974305 963057271 /nfs/dbraw/zinc/05/72/71/963057271.db2.gz VFKXOCVYLLJPNO-PRTUASRFSA-N 2 2 247.386 2.284 20 30 BEEDLP C[C@@H](CC#N)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167974305 963057277 /nfs/dbraw/zinc/05/72/77/963057277.db2.gz VFKXOCVYLLJPNO-PRTUASRFSA-N 2 2 247.386 2.284 20 30 BEEDLP CC[N@H+]([C@H]1CC[C@@H](C#N)C1)C1CC[NH+](C)CC1 ZINC001254669741 1169819765 /nfs/dbraw/zinc/81/97/65/1169819765.db2.gz UQHIVIFYIVJXQP-OCCSQVGLSA-N 2 2 235.375 2.095 20 30 BEEDLP CC[N@@H+]([C@H]1CC[C@@H](C#N)C1)C1CC[NH+](C)CC1 ZINC001254669741 1169819775 /nfs/dbraw/zinc/81/97/75/1169819775.db2.gz UQHIVIFYIVJXQP-OCCSQVGLSA-N 2 2 235.375 2.095 20 30 BEEDLP CC(C)C[C@H](C#N)[NH2+]C1CCC([NH+](C)C)CC1 ZINC001168304111 964398294 /nfs/dbraw/zinc/39/82/94/964398294.db2.gz PRTSJWPUPKYOMV-ROKHWSDSSA-N 2 2 237.391 2.387 20 30 BEEDLP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1ccccc1CC#N ZINC001205083065 967335624 /nfs/dbraw/zinc/33/56/24/967335624.db2.gz OGAMXTGKKJQHNF-WFASDCNBSA-N 2 2 243.354 2.064 20 30 BEEDLP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1ccccc1CC#N ZINC001205083065 967335634 /nfs/dbraw/zinc/33/56/34/967335634.db2.gz OGAMXTGKKJQHNF-WFASDCNBSA-N 2 2 243.354 2.064 20 30 BEEDLP N#C[C@@H]1CC[C@@H]([NH2+][C@H]2CC[N@H+](CC3CCC3)C2)C1 ZINC001254650599 969764052 /nfs/dbraw/zinc/76/40/52/969764052.db2.gz WAGALAZTNNPXJJ-KFWWJZLASA-N 2 2 247.386 2.143 20 30 BEEDLP N#C[C@@H]1CC[C@@H]([NH2+][C@H]2CC[N@@H+](CC3CCC3)C2)C1 ZINC001254650599 969764057 /nfs/dbraw/zinc/76/40/57/969764057.db2.gz WAGALAZTNNPXJJ-KFWWJZLASA-N 2 2 247.386 2.143 20 30 BEEDLP N#C[C@H]1CC[C@H]([NH2+]Cc2ccc3[nH+]ccn3c2)C1 ZINC001254654385 969764894 /nfs/dbraw/zinc/76/48/94/969764894.db2.gz UNURFHJTDAHXJD-AAEUAGOBSA-N 2 2 240.310 2.116 20 30 BEEDLP N#C[C@@H]1CC[C@H](n2cc[nH+]c2[C@@H]2CCC[NH2+]C2)C1 ZINC001254671779 969777085 /nfs/dbraw/zinc/77/70/85/969777085.db2.gz UFBRAWYWQDZAQS-UPJWGTAASA-N 2 2 244.342 2.215 20 30 BEEDLP CC(C)[N@H+]([C@H]1CC[C@@H](C#N)C1)C1CC[NH+](C)CC1 ZINC001254676032 969780525 /nfs/dbraw/zinc/78/05/25/969780525.db2.gz IGGUIHSKYXXGQB-HIFRSBDPSA-N 2 2 249.402 2.483 20 30 BEEDLP CC(C)[N@@H+]([C@H]1CC[C@@H](C#N)C1)C1CC[NH+](C)CC1 ZINC001254676032 969780530 /nfs/dbraw/zinc/78/05/30/969780530.db2.gz IGGUIHSKYXXGQB-HIFRSBDPSA-N 2 2 249.402 2.483 20 30 BEEDLP CC[C@H](CC#N)[NH2+]CCC[NH+]1CCC(C)CC1 ZINC001255152638 969955461 /nfs/dbraw/zinc/95/54/61/969955461.db2.gz ZNHHKFQSBZWCKZ-CQSZACIVSA-N 2 2 237.391 2.390 20 30 BEEDLP CC[C@@H](CC#N)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC001255156527 969966834 /nfs/dbraw/zinc/96/68/34/969966834.db2.gz LOFKBFQYENPEGQ-LBPRGKRZSA-N 2 2 235.375 2.285 20 30 BEEDLP C[C@@H](CCCC#N)[NH2+]C[C@@H]1CCCC[N@@H+]1C ZINC001172480253 974780335 /nfs/dbraw/zinc/78/03/35/974780335.db2.gz NDJLKODMZDETQW-STQMWFEESA-N 2 2 223.364 2.143 20 30 BEEDLP C[C@@H](CCCC#N)[NH2+]C[C@@H]1CCCC[N@H+]1C ZINC001172480253 974780337 /nfs/dbraw/zinc/78/03/37/974780337.db2.gz NDJLKODMZDETQW-STQMWFEESA-N 2 2 223.364 2.143 20 30 BEEDLP C[C@H](CCCC#N)[NH2+][C@]1(C)CCC[N@H+](C)C1 ZINC001172493905 974841368 /nfs/dbraw/zinc/84/13/68/974841368.db2.gz WNZGOOKCEGUEPP-CHWSQXEVSA-N 2 2 223.364 2.143 20 30 BEEDLP C[C@H](CCCC#N)[NH2+][C@]1(C)CCC[N@@H+](C)C1 ZINC001172493905 974841370 /nfs/dbraw/zinc/84/13/70/974841370.db2.gz WNZGOOKCEGUEPP-CHWSQXEVSA-N 2 2 223.364 2.143 20 30 BEEDLP C[N@@H+]1CCC[C@H]1C[NH2+]C1CCC(CC#N)CC1 ZINC001173326350 975274280 /nfs/dbraw/zinc/27/42/80/975274280.db2.gz XYDJXKRWRLQEFQ-RUXDESIVSA-N 2 2 235.375 2.143 20 30 BEEDLP C[N@H+]1CCC[C@H]1C[NH2+]C1CCC(CC#N)CC1 ZINC001173326350 975274285 /nfs/dbraw/zinc/27/42/85/975274285.db2.gz XYDJXKRWRLQEFQ-RUXDESIVSA-N 2 2 235.375 2.143 20 30 BEEDLP C[N@H+](Cc1ccc(C#N)s1)C1CC[NH+](C)CC1 ZINC001232841948 978308090 /nfs/dbraw/zinc/30/80/90/978308090.db2.gz GNGGBIUIEKOCNK-UHFFFAOYSA-N 2 2 249.383 2.146 20 30 BEEDLP C[N@@H+](Cc1ccc(C#N)s1)C1CC[NH+](C)CC1 ZINC001232841948 978308100 /nfs/dbraw/zinc/30/81/00/978308100.db2.gz GNGGBIUIEKOCNK-UHFFFAOYSA-N 2 2 249.383 2.146 20 30 BEEDLP CCCCCCC[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]21 ZINC001235000770 978948403 /nfs/dbraw/zinc/94/84/03/978948403.db2.gz AJZIVVHTUKIWDN-STQMWFEESA-N 2 2 210.365 2.393 20 30 BEEDLP CCCCCCC[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]21 ZINC001235000770 978948410 /nfs/dbraw/zinc/94/84/10/978948410.db2.gz AJZIVVHTUKIWDN-STQMWFEESA-N 2 2 210.365 2.393 20 30 BEEDLP CCCCCCC[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]21 ZINC001235234957 979002328 /nfs/dbraw/zinc/00/23/28/979002328.db2.gz AJZIVVHTUKIWDN-OLZOCXBDSA-N 2 2 210.365 2.393 20 30 BEEDLP CCCCCCC[N@H+]1CC[C@H]2[NH2+]CC[C@@H]21 ZINC001235234957 979002332 /nfs/dbraw/zinc/00/23/32/979002332.db2.gz AJZIVVHTUKIWDN-OLZOCXBDSA-N 2 2 210.365 2.393 20 30 BEEDLP C=CCCCC[N@@H+](CCOC)[C@@H]1CCC[NH2+]C1 ZINC001236327060 979538377 /nfs/dbraw/zinc/53/83/77/979538377.db2.gz JAWNRNOVYHXQAE-CQSZACIVSA-N 2 2 240.391 2.043 20 30 BEEDLP C=CCCCC[N@H+](CCOC)[C@@H]1CCC[NH2+]C1 ZINC001236327060 979538382 /nfs/dbraw/zinc/53/83/82/979538382.db2.gz JAWNRNOVYHXQAE-CQSZACIVSA-N 2 2 240.391 2.043 20 30 BEEDLP C#Cc1ccc(C[N@@H+](CCC)[C@H]2CC[NH2+]C2)cc1 ZINC001236323022 979539262 /nfs/dbraw/zinc/53/92/62/979539262.db2.gz BOJXFEWJVNILSQ-INIZCTEOSA-N 2 2 242.366 2.242 20 30 BEEDLP C#Cc1ccc(C[N@H+](CCC)[C@H]2CC[NH2+]C2)cc1 ZINC001236323022 979539267 /nfs/dbraw/zinc/53/92/67/979539267.db2.gz BOJXFEWJVNILSQ-INIZCTEOSA-N 2 2 242.366 2.242 20 30 BEEDLP CCCCCCC[C@@H](C)[NH2+][C@@H]1COC[C@H]1[NH3+] ZINC001258038933 985310217 /nfs/dbraw/zinc/31/02/17/985310217.db2.gz HHRVLKZGIJSURJ-JHJVBQTASA-N 2 2 228.380 2.051 20 30 BEEDLP C=CCCC[N@@H+]1CCC[NH+]2CCC[C@@H]2C1 ZINC000379778747 986680505 /nfs/dbraw/zinc/68/05/05/986680505.db2.gz BHGLFGBVHXWYAA-CYBMUJFWSA-N 2 2 208.349 2.123 20 30 BEEDLP C=CCCC[N@H+]1CCC[NH+]2CCC[C@@H]2C1 ZINC000379778747 986680526 /nfs/dbraw/zinc/68/05/26/986680526.db2.gz BHGLFGBVHXWYAA-CYBMUJFWSA-N 2 2 208.349 2.123 20 30 BEEDLP C=CCCC[NH+]1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000379778747 986680542 /nfs/dbraw/zinc/68/05/42/986680542.db2.gz BHGLFGBVHXWYAA-CYBMUJFWSA-N 2 2 208.349 2.123 20 30 BEEDLP C=CCCC[NH+]1CCC[N@H+]2CCC[C@@H]2C1 ZINC000379778747 986680552 /nfs/dbraw/zinc/68/05/52/986680552.db2.gz BHGLFGBVHXWYAA-CYBMUJFWSA-N 2 2 208.349 2.123 20 30 BEEDLP CCCCCCCC[C@H](O)C[N@@H+]1CC[C@H]([NH3+])C1 ZINC001246070910 987356267 /nfs/dbraw/zinc/35/62/67/987356267.db2.gz OVKGSXSRDBZCMU-KBPBESRZSA-N 2 2 242.407 2.131 20 30 BEEDLP CCCCCCCC[C@H](O)C[N@H+]1CC[C@H]([NH3+])C1 ZINC001246070910 987356272 /nfs/dbraw/zinc/35/62/72/987356272.db2.gz OVKGSXSRDBZCMU-KBPBESRZSA-N 2 2 242.407 2.131 20 30 BEEDLP CC(C)([NH2+][C@@H]1CCC[NH2+]C1)c1ccc(C#N)cc1 ZINC001246178341 987546699 /nfs/dbraw/zinc/54/66/99/987546699.db2.gz MFQBGMVHTXFXFV-CQSZACIVSA-N 2 2 243.354 2.135 20 30 BEEDLP CC[NH+]1CCC(C[N@H+](CC#N)C2CCCC2)CC1 ZINC001474360401 987701132 /nfs/dbraw/zinc/70/11/32/987701132.db2.gz ORIAIKKJDNXHFF-UHFFFAOYSA-N 2 2 249.402 2.486 20 30 BEEDLP CC[NH+]1CCC(C[N@@H+](CC#N)C2CCCC2)CC1 ZINC001474360401 987701136 /nfs/dbraw/zinc/70/11/36/987701136.db2.gz ORIAIKKJDNXHFF-UHFFFAOYSA-N 2 2 249.402 2.486 20 30 BEEDLP CC[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)c1cccc(C#N)c1 ZINC001246312897 987715251 /nfs/dbraw/zinc/71/52/51/987715251.db2.gz DEWVTRNRSWXNIV-HUUCEWRRSA-N 2 2 243.354 2.351 20 30 BEEDLP CCCCCCC[C@H](C)[N@@H+]1C[C@H]([NH3+])C[C@H](O)C1 ZINC001246538637 987896813 /nfs/dbraw/zinc/89/68/13/987896813.db2.gz IKKROQPKLMRMHA-MJBXVCDLSA-N 2 2 242.407 2.129 20 30 BEEDLP CCCCCCC[C@H](C)[N@H+]1C[C@H]([NH3+])C[C@H](O)C1 ZINC001246538637 987896816 /nfs/dbraw/zinc/89/68/16/987896816.db2.gz IKKROQPKLMRMHA-MJBXVCDLSA-N 2 2 242.407 2.129 20 30 BEEDLP C[C@@H]1C[C@@H]([N@H+](CCC#N)C2CCCC2)CC[NH2+]1 ZINC001246767336 988455589 /nfs/dbraw/zinc/45/55/89/988455589.db2.gz BWBHJHMUNLRKHA-OCCSQVGLSA-N 2 2 235.375 2.285 20 30 BEEDLP C[C@@H]1C[C@@H]([N@@H+](CCC#N)C2CCCC2)CC[NH2+]1 ZINC001246767336 988455591 /nfs/dbraw/zinc/45/55/91/988455591.db2.gz BWBHJHMUNLRKHA-OCCSQVGLSA-N 2 2 235.375 2.285 20 30 BEEDLP C[C@H]1C[C@@H]([N@H+](CCC#N)C2CCCC2)CC[NH2+]1 ZINC001246767335 988456704 /nfs/dbraw/zinc/45/67/04/988456704.db2.gz BWBHJHMUNLRKHA-JSGCOSHPSA-N 2 2 235.375 2.285 20 30 BEEDLP C[C@H]1C[C@@H]([N@@H+](CCC#N)C2CCCC2)CC[NH2+]1 ZINC001246767335 988456712 /nfs/dbraw/zinc/45/67/12/988456712.db2.gz BWBHJHMUNLRKHA-JSGCOSHPSA-N 2 2 235.375 2.285 20 30 BEEDLP C=CCC[C@@H]1CCC[N@H+]1CCc1c[nH+]cn1C ZINC001560199768 991408921 /nfs/dbraw/zinc/40/89/21/991408921.db2.gz CPDGSMWODGBSKA-CYBMUJFWSA-N 2 2 233.359 2.393 20 30 BEEDLP C=CCC[C@@H]1CCC[N@@H+]1CCc1c[nH+]cn1C ZINC001560199768 991408927 /nfs/dbraw/zinc/40/89/27/991408927.db2.gz CPDGSMWODGBSKA-CYBMUJFWSA-N 2 2 233.359 2.393 20 30 BEEDLP C=CCCCCC[N@@H+]1C[C@H]2CC[NH2+]C[C@H]21 ZINC001574907509 992943221 /nfs/dbraw/zinc/94/32/21/992943221.db2.gz OMAJKWMVPKFZGX-CHWSQXEVSA-N 2 2 208.349 2.027 20 30 BEEDLP C=CCCCCC[N@H+]1C[C@H]2CC[NH2+]C[C@H]21 ZINC001574907509 992943230 /nfs/dbraw/zinc/94/32/30/992943230.db2.gz OMAJKWMVPKFZGX-CHWSQXEVSA-N 2 2 208.349 2.027 20 30 BEEDLP C[C@@]1(C[N@H+](CCC#N)CC2CC2)CCC[NH2+]C1 ZINC001576500322 993323118 /nfs/dbraw/zinc/32/31/18/993323118.db2.gz FYIZUSNWIYJMBM-CQSZACIVSA-N 2 2 235.375 2.002 20 30 BEEDLP C[C@@]1(C[N@@H+](CCC#N)CC2CC2)CCC[NH2+]C1 ZINC001576500322 993323124 /nfs/dbraw/zinc/32/31/24/993323124.db2.gz FYIZUSNWIYJMBM-CQSZACIVSA-N 2 2 235.375 2.002 20 30 BEEDLP C[N@@H+]1CCC[C@H]1CC[NH+](CCC#N)CC1CC1 ZINC000161985480 349528042 /nfs/dbraw/zinc/52/80/42/349528042.db2.gz ZFWBMXSNSJJWQS-AWEZNQCLSA-N 2 2 235.375 2.096 20 30 BEEDLP C[N@H+]1CCC[C@H]1CC[NH+](CCC#N)CC1CC1 ZINC000161985480 349528044 /nfs/dbraw/zinc/52/80/44/349528044.db2.gz ZFWBMXSNSJJWQS-AWEZNQCLSA-N 2 2 235.375 2.096 20 30 BEEDLP C[NH+]1CCC[C@H]1CC[N@H+](CCC#N)CC1CC1 ZINC000161985480 349528047 /nfs/dbraw/zinc/52/80/47/349528047.db2.gz ZFWBMXSNSJJWQS-AWEZNQCLSA-N 2 2 235.375 2.096 20 30 BEEDLP C[NH+]1CCC[C@H]1CC[N@@H+](CCC#N)CC1CC1 ZINC000161985480 349528049 /nfs/dbraw/zinc/52/80/49/349528049.db2.gz ZFWBMXSNSJJWQS-AWEZNQCLSA-N 2 2 235.375 2.096 20 30 BEEDLP CC[N@@H+]1CCC[C@@H]1C[NH2+]C1CCC(C#N)CC1 ZINC000602506621 349582685 /nfs/dbraw/zinc/58/26/85/349582685.db2.gz FJSGHXCIRPTXBA-JXQTWKCFSA-N 2 2 235.375 2.143 20 30 BEEDLP CC[N@H+]1CCC[C@@H]1C[NH2+]C1CCC(C#N)CC1 ZINC000602506621 349582687 /nfs/dbraw/zinc/58/26/87/349582687.db2.gz FJSGHXCIRPTXBA-JXQTWKCFSA-N 2 2 235.375 2.143 20 30 BEEDLP C[C@H](CCC#N)C[NH2+]CC[NH+]1CCCCCC1 ZINC000602512119 349585837 /nfs/dbraw/zinc/58/58/37/349585837.db2.gz PVEVXUSYNUAZTL-CQSZACIVSA-N 2 2 237.391 2.392 20 30 BEEDLP CC[C@@H](CC#N)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000600153293 342692046 /nfs/dbraw/zinc/69/20/46/342692046.db2.gz YBZZLYJSPXFPJS-RYUDHWBXSA-N 2 2 223.364 2.141 20 30 BEEDLP CC[C@@H](CC#N)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000600153293 342692048 /nfs/dbraw/zinc/69/20/48/342692048.db2.gz YBZZLYJSPXFPJS-RYUDHWBXSA-N 2 2 223.364 2.141 20 30 BEEDLP CC[C@H](CC#N)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000600153291 342692133 /nfs/dbraw/zinc/69/21/33/342692133.db2.gz YBZZLYJSPXFPJS-NEPJUHHUSA-N 2 2 223.364 2.141 20 30 BEEDLP CC[C@H](CC#N)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000600153291 342692135 /nfs/dbraw/zinc/69/21/35/342692135.db2.gz YBZZLYJSPXFPJS-NEPJUHHUSA-N 2 2 223.364 2.141 20 30 BEEDLP N#C[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000613254412 361858776 /nfs/dbraw/zinc/85/87/76/361858776.db2.gz JBUXVLPICHJWBA-KFWWJZLASA-N 2 2 247.386 2.143 20 30 BEEDLP N#C[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000613254412 361858787 /nfs/dbraw/zinc/85/87/87/361858787.db2.gz JBUXVLPICHJWBA-KFWWJZLASA-N 2 2 247.386 2.143 20 30 BEEDLP C[C@@H]1C[C@@H]([NH2+]C2CCC(C#N)CC2)C[N@@H+]1C1CC1 ZINC000602569212 349620110 /nfs/dbraw/zinc/62/01/10/349620110.db2.gz NUUIUWHRUZNXDD-BLYZHGLHSA-N 2 2 247.386 2.284 20 30 BEEDLP C[C@@H]1C[C@@H]([NH2+]C2CCC(C#N)CC2)C[N@H+]1C1CC1 ZINC000602569212 349620112 /nfs/dbraw/zinc/62/01/12/349620112.db2.gz NUUIUWHRUZNXDD-BLYZHGLHSA-N 2 2 247.386 2.284 20 30 BEEDLP C[C@@H](CCC#N)C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000602667511 349684895 /nfs/dbraw/zinc/68/48/95/349684895.db2.gz QBDBRZHEITUILU-QWHCGFSZSA-N 2 2 246.358 2.149 20 30 BEEDLP C[C@@H](CCC#N)C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000602667511 349684898 /nfs/dbraw/zinc/68/48/98/349684898.db2.gz QBDBRZHEITUILU-QWHCGFSZSA-N 2 2 246.358 2.149 20 30 BEEDLP CCC[N@@H+]1CC[C@@H]([NH2+]C2CCC(C#N)CC2)C1 ZINC000602714075 349705501 /nfs/dbraw/zinc/70/55/01/349705501.db2.gz SRNUOKYLHVSHOE-JXQTWKCFSA-N 2 2 235.375 2.143 20 30 BEEDLP CCC[N@H+]1CC[C@@H]([NH2+]C2CCC(C#N)CC2)C1 ZINC000602714075 349705504 /nfs/dbraw/zinc/70/55/04/349705504.db2.gz SRNUOKYLHVSHOE-JXQTWKCFSA-N 2 2 235.375 2.143 20 30 BEEDLP N#CCCCC[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609258468 343395520 /nfs/dbraw/zinc/39/55/20/343395520.db2.gz XZLNEWLJQFFFBG-ZDUSSCGKSA-N 2 2 232.331 2.214 20 30 BEEDLP N#CCCCC[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609258468 343395521 /nfs/dbraw/zinc/39/55/21/343395521.db2.gz XZLNEWLJQFFFBG-ZDUSSCGKSA-N 2 2 232.331 2.214 20 30 BEEDLP N#CCCCC[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609258467 343395612 /nfs/dbraw/zinc/39/56/12/343395612.db2.gz XZLNEWLJQFFFBG-CYBMUJFWSA-N 2 2 232.331 2.214 20 30 BEEDLP N#CCCCC[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609258467 343395615 /nfs/dbraw/zinc/39/56/15/343395615.db2.gz XZLNEWLJQFFFBG-CYBMUJFWSA-N 2 2 232.331 2.214 20 30 BEEDLP Cc1cc(C[NH2+][C@H]2CCC[N@@H+](C)C2)ccc1C#N ZINC000618191996 343578758 /nfs/dbraw/zinc/57/87/58/343578758.db2.gz DHJQQXYHBJDZGZ-HNNXBMFYSA-N 2 2 243.354 2.051 20 30 BEEDLP Cc1cc(C[NH2+][C@H]2CCC[N@H+](C)C2)ccc1C#N ZINC000618191996 343578762 /nfs/dbraw/zinc/57/87/62/343578762.db2.gz DHJQQXYHBJDZGZ-HNNXBMFYSA-N 2 2 243.354 2.051 20 30 BEEDLP C[N@H+](CC[C@H]1CCC[NH+]1C)[C@@H]1CCC[C@H]1C#N ZINC000602979382 349843918 /nfs/dbraw/zinc/84/39/18/349843918.db2.gz CSEPPWYENQNUOQ-BFHYXJOUSA-N 2 2 235.375 2.095 20 30 BEEDLP C[N@@H+](CC[C@H]1CCC[NH+]1C)[C@@H]1CCC[C@H]1C#N ZINC000602979382 349843921 /nfs/dbraw/zinc/84/39/21/349843921.db2.gz CSEPPWYENQNUOQ-BFHYXJOUSA-N 2 2 235.375 2.095 20 30 BEEDLP C[NH+](CC[C@H]1CCC[N@@H+]1C)[C@@H]1CCC[C@H]1C#N ZINC000602979382 349843924 /nfs/dbraw/zinc/84/39/24/349843924.db2.gz CSEPPWYENQNUOQ-BFHYXJOUSA-N 2 2 235.375 2.095 20 30 BEEDLP C[NH+](CC[C@H]1CCC[N@H+]1C)[C@@H]1CCC[C@H]1C#N ZINC000602979382 349843927 /nfs/dbraw/zinc/84/39/27/349843927.db2.gz CSEPPWYENQNUOQ-BFHYXJOUSA-N 2 2 235.375 2.095 20 30 BEEDLP C=CCC[C@H](C)[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000126825829 344184163 /nfs/dbraw/zinc/18/41/63/344184163.db2.gz PDFUKOMLDIOUDK-RYUDHWBXSA-N 2 2 208.349 2.167 20 30 BEEDLP C=CCC[C@H](C)[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000126825829 344184166 /nfs/dbraw/zinc/18/41/66/344184166.db2.gz PDFUKOMLDIOUDK-RYUDHWBXSA-N 2 2 208.349 2.167 20 30 BEEDLP N#CCC[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000380912291 344451637 /nfs/dbraw/zinc/45/16/37/344451637.db2.gz NKOKRJXJNXTIEI-HNNXBMFYSA-N 2 2 243.354 2.012 20 30 BEEDLP N#CCC[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000380912291 344451639 /nfs/dbraw/zinc/45/16/39/344451639.db2.gz NKOKRJXJNXTIEI-HNNXBMFYSA-N 2 2 243.354 2.012 20 30 BEEDLP N#CCCCC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109795780 344534687 /nfs/dbraw/zinc/53/46/87/344534687.db2.gz BCRIGOLIFNWBKG-UHFFFAOYSA-N 2 2 232.331 2.214 20 30 BEEDLP C=C(C)CC[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000387514221 344553513 /nfs/dbraw/zinc/55/35/13/344553513.db2.gz ZCIBLFFNZKMHQE-NWDGAFQWSA-N 2 2 208.349 2.167 20 30 BEEDLP C=C(C)CC[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000387514221 344553515 /nfs/dbraw/zinc/55/35/15/344553515.db2.gz ZCIBLFFNZKMHQE-NWDGAFQWSA-N 2 2 208.349 2.167 20 30 BEEDLP CC(C)(C)C[N@H+](CCC#N)CCn1cc[nH+]c1 ZINC000120552774 344893948 /nfs/dbraw/zinc/89/39/48/344893948.db2.gz ANRAUMXHKBUZBE-UHFFFAOYSA-N 2 2 234.347 2.145 20 30 BEEDLP CC(C)(C)C[N@@H+](CCC#N)CCn1cc[nH+]c1 ZINC000120552774 344893951 /nfs/dbraw/zinc/89/39/51/344893951.db2.gz ANRAUMXHKBUZBE-UHFFFAOYSA-N 2 2 234.347 2.145 20 30 BEEDLP N#C[C@@H]1CC[C@H]([N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)C1 ZINC000590158598 346782843 /nfs/dbraw/zinc/78/28/43/346782843.db2.gz DSTZXWKNIYLLSE-HZSPNIEDSA-N 2 2 244.342 2.212 20 30 BEEDLP N#C[C@@H]1CC[C@H]([N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)C1 ZINC000590158598 346782848 /nfs/dbraw/zinc/78/28/48/346782848.db2.gz DSTZXWKNIYLLSE-HZSPNIEDSA-N 2 2 244.342 2.212 20 30 BEEDLP CC(C)(C#N)CCC[N@@H+]1CCn2c[nH+]cc2C1 ZINC000590599112 347479826 /nfs/dbraw/zinc/47/98/26/347479826.db2.gz IENVYKGHZWMYFC-UHFFFAOYSA-N 2 2 232.331 2.029 20 30 BEEDLP CC(C)(C#N)CCC[N@H+]1CCn2c[nH+]cc2C1 ZINC000590599112 347479830 /nfs/dbraw/zinc/47/98/30/347479830.db2.gz IENVYKGHZWMYFC-UHFFFAOYSA-N 2 2 232.331 2.029 20 30 BEEDLP C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)[C@@H]1CCC[NH2+]1 ZINC000591570991 347676095 /nfs/dbraw/zinc/67/60/95/347676095.db2.gz PRZDRGOBEHITAW-ZOWXZIJZSA-N 2 2 243.354 2.349 20 30 BEEDLP C[NH2+]C[C@H](C)[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000596654388 348607728 /nfs/dbraw/zinc/60/77/28/348607728.db2.gz NRZWMFUIDMMFBM-NHYWBVRUSA-N 2 2 243.354 2.133 20 30 BEEDLP C[NH2+]C[C@H](C)[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000596654389 348607896 /nfs/dbraw/zinc/60/78/96/348607896.db2.gz NRZWMFUIDMMFBM-XHDPSFHLSA-N 2 2 243.354 2.133 20 30 BEEDLP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1ccccc1C#N ZINC000598679331 349021106 /nfs/dbraw/zinc/02/11/06/349021106.db2.gz GRVHJZIPZQATNF-CYBMUJFWSA-N 2 2 231.343 2.021 20 30 BEEDLP C=CCC[N@@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000070593290 350026314 /nfs/dbraw/zinc/02/63/14/350026314.db2.gz JVSNEWOIQGOUIK-STQMWFEESA-N 2 2 208.349 2.169 20 30 BEEDLP C=CCC[N@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000070593290 350026317 /nfs/dbraw/zinc/02/63/17/350026317.db2.gz JVSNEWOIQGOUIK-STQMWFEESA-N 2 2 208.349 2.169 20 30 BEEDLP C=CC[C@H](C)[C@@H](C)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427868897 191097779 /nfs/dbraw/zinc/09/77/79/191097779.db2.gz BKEOWDZDWZKMLZ-XQQFMLRXSA-N 2 2 233.359 2.388 20 30 BEEDLP C=CCC[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000606897948 350623611 /nfs/dbraw/zinc/62/36/11/350623611.db2.gz OMQSIVWIBPVLCL-LBPRGKRZSA-N 2 2 205.305 2.096 20 30 BEEDLP C=CCC[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000606897948 350623613 /nfs/dbraw/zinc/62/36/13/350623613.db2.gz OMQSIVWIBPVLCL-LBPRGKRZSA-N 2 2 205.305 2.096 20 30 BEEDLP C=CC(C)(C)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000384874671 350609090 /nfs/dbraw/zinc/60/90/90/350609090.db2.gz RUBAOOLUYYJCET-VXGBXAGGSA-N 2 2 222.376 2.413 20 30 BEEDLP C=CC(C)(C)C[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000384874671 350609094 /nfs/dbraw/zinc/60/90/94/350609094.db2.gz RUBAOOLUYYJCET-VXGBXAGGSA-N 2 2 222.376 2.413 20 30 BEEDLP N#C[C@@H]1CC[C@@H]([NH+]2CCC(n3cc[nH+]c3)CC2)C1 ZINC000278695295 351777187 /nfs/dbraw/zinc/77/71/87/351777187.db2.gz SMWYXFVUWUDKNZ-TZMCWYRMSA-N 2 2 244.342 2.212 20 30 BEEDLP N#C[C@H]1CC[C@@H]([NH+]2CCC(n3cc[nH+]c3)CC2)C1 ZINC000278695283 351777265 /nfs/dbraw/zinc/77/72/65/351777265.db2.gz SMWYXFVUWUDKNZ-GXTWGEPZSA-N 2 2 244.342 2.212 20 30 BEEDLP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2cccc(C#N)c2)C1 ZINC000389511870 352621439 /nfs/dbraw/zinc/62/14/39/352621439.db2.gz FEMJQOBZTSNDSC-WFASDCNBSA-N 2 2 243.354 2.303 20 30 BEEDLP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cccc(C#N)c2)C1 ZINC000389511870 352621442 /nfs/dbraw/zinc/62/14/42/352621442.db2.gz FEMJQOBZTSNDSC-WFASDCNBSA-N 2 2 243.354 2.303 20 30 BEEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2ncc[nH]2)CC1 ZINC000428229056 538107887 /nfs/dbraw/zinc/10/78/87/538107887.db2.gz DTPKTKNPBXBWFV-GFCCVEGCSA-N 2 2 248.374 2.101 20 30 BEEDLP C#C[C@H]([NH2+]Cc1cccc2[nH+]ccn21)C(C)(C)C ZINC000290147102 353650041 /nfs/dbraw/zinc/65/00/41/353650041.db2.gz KXIFHBNNOYFBLQ-ZDUSSCGKSA-N 2 2 241.338 2.472 20 30 BEEDLP C=CCC[C@@H](CO)[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000449694203 202001849 /nfs/dbraw/zinc/00/18/49/202001849.db2.gz ASYJGUXVBKUKMU-HNNXBMFYSA-N 2 2 248.370 2.239 20 30 BEEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccco2)CC1 ZINC000106245933 355771919 /nfs/dbraw/zinc/77/19/19/355771919.db2.gz KPVSVXUHPAFOHM-UHFFFAOYSA-N 2 2 234.343 2.410 20 30 BEEDLP C=C[C@@H]1OCCC[C@H]1[NH2+]CCc1cc[nH+]cc1C ZINC000583627964 355932922 /nfs/dbraw/zinc/93/29/22/355932922.db2.gz IMYCTIDCPUJNHA-CABCVRRESA-N 2 2 246.354 2.256 20 30 BEEDLP CC1(C)CCC[N@@H+]1CC[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000449779308 202032901 /nfs/dbraw/zinc/03/29/01/202032901.db2.gz DASPLDGRYSCZBS-CHWSQXEVSA-N 2 2 235.375 2.143 20 30 BEEDLP CC1(C)CCC[N@H+]1CC[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000449779308 202032903 /nfs/dbraw/zinc/03/29/03/202032903.db2.gz DASPLDGRYSCZBS-CHWSQXEVSA-N 2 2 235.375 2.143 20 30 BEEDLP C=CC[C@@H]1CC[N@@H+](Cc2c[nH+]c(C)n2C)C1 ZINC000628406068 357200654 /nfs/dbraw/zinc/20/06/54/357200654.db2.gz BAVLQKHJEZXRRV-GFCCVEGCSA-N 2 2 219.332 2.127 20 30 BEEDLP C=CC[C@@H]1CC[N@H+](Cc2c[nH+]c(C)n2C)C1 ZINC000628406068 357200656 /nfs/dbraw/zinc/20/06/56/357200656.db2.gz BAVLQKHJEZXRRV-GFCCVEGCSA-N 2 2 219.332 2.127 20 30 BEEDLP C[NH+](C)CCC[N@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000404058205 357494582 /nfs/dbraw/zinc/49/45/82/357494582.db2.gz LONWGICHPDXNDE-UHFFFAOYSA-N 2 2 249.333 2.081 20 30 BEEDLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000404058205 357494588 /nfs/dbraw/zinc/49/45/88/357494588.db2.gz LONWGICHPDXNDE-UHFFFAOYSA-N 2 2 249.333 2.081 20 30 BEEDLP C[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)cc2)CC[N@@H+]1C ZINC000090721035 363595474 /nfs/dbraw/zinc/59/54/74/363595474.db2.gz ARCWPPBLRJARFZ-SWLSCSKDSA-N 2 2 243.354 2.131 20 30 BEEDLP C[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)cc2)CC[N@H+]1C ZINC000090721035 363595478 /nfs/dbraw/zinc/59/54/78/363595478.db2.gz ARCWPPBLRJARFZ-SWLSCSKDSA-N 2 2 243.354 2.131 20 30 BEEDLP C[C@H]([NH2+][C@H]1C[N@H+](C)C[C@@H]1C)c1cccc(C#N)c1 ZINC000610830466 358211303 /nfs/dbraw/zinc/21/13/03/358211303.db2.gz WJJJFOFTIALAHA-HUBLWGQQSA-N 2 2 243.354 2.159 20 30 BEEDLP C[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@@H]1C)c1cccc(C#N)c1 ZINC000610830466 358211307 /nfs/dbraw/zinc/21/13/07/358211307.db2.gz WJJJFOFTIALAHA-HUBLWGQQSA-N 2 2 243.354 2.159 20 30 BEEDLP N#CCCC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134931034 358811047 /nfs/dbraw/zinc/81/10/47/358811047.db2.gz YCTWEEMYHMLKNT-HIFRSBDPSA-N 2 2 247.386 2.239 20 30 BEEDLP N#CCCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134931034 358811050 /nfs/dbraw/zinc/81/10/50/358811050.db2.gz YCTWEEMYHMLKNT-HIFRSBDPSA-N 2 2 247.386 2.239 20 30 BEEDLP N#CCCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134931034 358811053 /nfs/dbraw/zinc/81/10/53/358811053.db2.gz YCTWEEMYHMLKNT-HIFRSBDPSA-N 2 2 247.386 2.239 20 30 BEEDLP N#CCCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134931034 358811057 /nfs/dbraw/zinc/81/10/57/358811057.db2.gz YCTWEEMYHMLKNT-HIFRSBDPSA-N 2 2 247.386 2.239 20 30 BEEDLP CC[NH2+][C@H](C)C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000423380590 192756658 /nfs/dbraw/zinc/75/66/58/192756658.db2.gz NCAFDWHDSAFUCD-NEPJUHHUSA-N 2 2 231.343 2.207 20 30 BEEDLP C[C@H](CC[NH2+]CCC#N)[N@H+](C)Cc1ccccc1 ZINC000379657007 359576983 /nfs/dbraw/zinc/57/69/83/359576983.db2.gz REUWPBGBVFERSW-CQSZACIVSA-N 2 2 245.370 2.400 20 30 BEEDLP C[C@H](CC[NH2+]CCC#N)[N@@H+](C)Cc1ccccc1 ZINC000379657007 359576985 /nfs/dbraw/zinc/57/69/85/359576985.db2.gz REUWPBGBVFERSW-CQSZACIVSA-N 2 2 245.370 2.400 20 30 BEEDLP C=CCOc1ccc(C[N@H+](CC)CC[NH3+])cc1 ZINC000629655089 361560374 /nfs/dbraw/zinc/56/03/74/361560374.db2.gz QWUQLNRUWYNTGJ-UHFFFAOYSA-N 2 2 234.343 2.032 20 30 BEEDLP C=CCOc1ccc(C[N@@H+](CC)CC[NH3+])cc1 ZINC000629655089 361560381 /nfs/dbraw/zinc/56/03/81/361560381.db2.gz QWUQLNRUWYNTGJ-UHFFFAOYSA-N 2 2 234.343 2.032 20 30 BEEDLP C=C(C)c1ccc(NCCCn2cc[nH+]c2)[nH+]c1 ZINC000629729929 361668781 /nfs/dbraw/zinc/66/87/81/361668781.db2.gz KFGSTBHXYINWDZ-UHFFFAOYSA-N 2 2 242.326 2.235 20 30 BEEDLP N#C[C@H]1CCC[C@@H]([NH2+]CCCCn2cc[nH+]c2)C1 ZINC000618565188 369174694 /nfs/dbraw/zinc/17/46/94/369174694.db2.gz JZMDOHAFAGXPNI-UONOGXRCSA-N 2 2 246.358 2.335 20 30 BEEDLP C[C@@H]1CC[N@H+](CC[NH2+][C@@H]2CCC[C@@H](C#N)C2)C1 ZINC000618569896 369175856 /nfs/dbraw/zinc/17/58/56/369175856.db2.gz FIANVFLVJUTUHX-MGPQQGTHSA-N 2 2 235.375 2.000 20 30 BEEDLP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2CCC[C@@H](C#N)C2)C1 ZINC000618569896 369175862 /nfs/dbraw/zinc/17/58/62/369175862.db2.gz FIANVFLVJUTUHX-MGPQQGTHSA-N 2 2 235.375 2.000 20 30 BEEDLP CN(C)c1cc[nH+]cc1C[NH2+]CC(C)(C)CC#N ZINC000459738939 203349485 /nfs/dbraw/zinc/34/94/85/203349485.db2.gz YLEONIZSTOKFTD-UHFFFAOYSA-N 2 2 246.358 2.177 20 30 BEEDLP Cc1ccc(C[N@@H+](C)CC(C)(C)[NH3+])cc1C#N ZINC000600707553 369559742 /nfs/dbraw/zinc/55/97/42/369559742.db2.gz BLSMKYVXYZDMCG-UHFFFAOYSA-N 2 2 231.343 2.036 20 30 BEEDLP Cc1ccc(C[N@H+](C)CC(C)(C)[NH3+])cc1C#N ZINC000600707553 369559747 /nfs/dbraw/zinc/55/97/47/369559747.db2.gz BLSMKYVXYZDMCG-UHFFFAOYSA-N 2 2 231.343 2.036 20 30 BEEDLP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC000019959853 371212203 /nfs/dbraw/zinc/21/22/03/371212203.db2.gz HVMUBNKRWIIPNM-HNNXBMFYSA-N 2 2 243.354 2.132 20 30 BEEDLP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC000019959853 371212209 /nfs/dbraw/zinc/21/22/09/371212209.db2.gz HVMUBNKRWIIPNM-HNNXBMFYSA-N 2 2 243.354 2.132 20 30 BEEDLP C=CC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC001644474743 1172564391 /nfs/dbraw/zinc/56/43/91/1172564391.db2.gz LITQVCUCXMVEMO-FRRDWIJNSA-N 2 2 208.349 2.120 20 30 BEEDLP C=CC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC001644474743 1172564395 /nfs/dbraw/zinc/56/43/95/1172564395.db2.gz LITQVCUCXMVEMO-FRRDWIJNSA-N 2 2 208.349 2.120 20 30 BEEDLP C=CC[C@@H](C)[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC001644474743 1172564398 /nfs/dbraw/zinc/56/43/98/1172564398.db2.gz LITQVCUCXMVEMO-FRRDWIJNSA-N 2 2 208.349 2.120 20 30 BEEDLP C=CC[C@@H](C)[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC001644474743 1172564402 /nfs/dbraw/zinc/56/44/02/1172564402.db2.gz LITQVCUCXMVEMO-FRRDWIJNSA-N 2 2 208.349 2.120 20 30 BEEDLP C[C@@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc(C#N)c(F)c1 ZINC000423280219 384532291 /nfs/dbraw/zinc/53/22/91/384532291.db2.gz SMHWFXZHIRKBGJ-YMTOWFKASA-N 2 2 247.317 2.085 20 30 BEEDLP Cc1cc(C[NH2+]C2CC([NH+](C)C)C2)ccc1C#N ZINC000564582409 384547987 /nfs/dbraw/zinc/54/79/87/384547987.db2.gz DOJRAQKKACENKP-UHFFFAOYSA-N 2 2 243.354 2.049 20 30 BEEDLP C#CC[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000154735015 384660756 /nfs/dbraw/zinc/66/07/56/384660756.db2.gz ZUGPJNXYNMWFTM-OAHLLOKOSA-N 2 2 234.387 2.064 20 30 BEEDLP C#CC[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000154735015 384660763 /nfs/dbraw/zinc/66/07/63/384660763.db2.gz ZUGPJNXYNMWFTM-OAHLLOKOSA-N 2 2 234.387 2.064 20 30 BEEDLP N#CCCC[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000536370371 384748209 /nfs/dbraw/zinc/74/82/09/384748209.db2.gz YLZYRDDABRDORR-UHFFFAOYSA-N 2 2 244.342 2.262 20 30 BEEDLP C=CCC[C@@H](C)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000126758076 384801399 /nfs/dbraw/zinc/80/13/99/384801399.db2.gz YGTSGKUFXDIEMJ-NEPJUHHUSA-N 2 2 207.321 2.216 20 30 BEEDLP C=C(Cl)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000157350624 385155527 /nfs/dbraw/zinc/15/55/27/385155527.db2.gz AJQRVFKBDUMHNB-LBPRGKRZSA-N 2 2 228.767 2.157 20 30 BEEDLP C=C(Cl)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000157350624 385155533 /nfs/dbraw/zinc/15/55/33/385155533.db2.gz AJQRVFKBDUMHNB-LBPRGKRZSA-N 2 2 228.767 2.157 20 30 BEEDLP C[NH+](C)CCC[N@H+](C)Cc1cc(C#N)cs1 ZINC000581099200 385509720 /nfs/dbraw/zinc/50/97/20/385509720.db2.gz OWLURAMZTRZJFT-UHFFFAOYSA-N 2 2 237.372 2.003 20 30 BEEDLP C[NH+](C)CCC[N@@H+](C)Cc1cc(C#N)cs1 ZINC000581099200 385509723 /nfs/dbraw/zinc/50/97/23/385509723.db2.gz OWLURAMZTRZJFT-UHFFFAOYSA-N 2 2 237.372 2.003 20 30 BEEDLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1ccc(C#N)cc1 ZINC000181580081 385513865 /nfs/dbraw/zinc/51/38/65/385513865.db2.gz LDELQRZAKAKQLH-IUODEOHRSA-N 2 2 243.354 2.303 20 30 BEEDLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1ccc(C#N)cc1 ZINC000181580081 385513870 /nfs/dbraw/zinc/51/38/70/385513870.db2.gz LDELQRZAKAKQLH-IUODEOHRSA-N 2 2 243.354 2.303 20 30 BEEDLP C=CCOc1ccc(C[NH2+][C@H]2CCC[NH2+]C2)cc1 ZINC000414874226 385885200 /nfs/dbraw/zinc/88/52/00/385885200.db2.gz YVQLDLGHUGVEDZ-AWEZNQCLSA-N 2 2 246.354 2.093 20 30 BEEDLP C[NH+](C)C1(C[NH2+][C@H]2CCC[C@H](C#N)C2)CCC1 ZINC000618577475 385874145 /nfs/dbraw/zinc/87/41/45/385874145.db2.gz JRCZKQQYLCARAP-STQMWFEESA-N 2 2 235.375 2.143 20 30 BEEDLP C=C(C)C[NH+]1CCN(c2c[nH+]ccc2C)CC1 ZINC000334437388 386042933 /nfs/dbraw/zinc/04/29/33/386042933.db2.gz RGUIWWYFUBFCAS-UHFFFAOYSA-N 2 2 231.343 2.088 20 30 BEEDLP C=CCOc1ccccc1C[NH2+]C[C@H]([NH3+])C1CC1 ZINC000414892582 386153718 /nfs/dbraw/zinc/15/37/18/386153718.db2.gz JIQZWQJMOOQDJB-AWEZNQCLSA-N 2 2 246.354 2.078 20 30 BEEDLP C=CCOc1ccccc1C[NH2+]C[C@H]([NH3+])CC ZINC000414988329 386129555 /nfs/dbraw/zinc/12/95/55/386129555.db2.gz ZQLSRYRJDXUSKD-CYBMUJFWSA-N 2 2 234.343 2.078 20 30 BEEDLP C[C@@H]1CCC[N@H+](CC[NH2+][C@@H]2CC[C@@H](C#N)C2)C1 ZINC000442710843 386522734 /nfs/dbraw/zinc/52/27/34/386522734.db2.gz QWOHZUQILDPFAJ-MGPQQGTHSA-N 2 2 235.375 2.000 20 30 BEEDLP C[C@@H]1CCC[N@@H+](CC[NH2+][C@@H]2CC[C@@H](C#N)C2)C1 ZINC000442710843 386522740 /nfs/dbraw/zinc/52/27/40/386522740.db2.gz QWOHZUQILDPFAJ-MGPQQGTHSA-N 2 2 235.375 2.000 20 30 BEEDLP C=CCC[C@H](CC)[NH2+]CC1([NH+](C)C)CC1 ZINC000417361041 386565190 /nfs/dbraw/zinc/56/51/90/386565190.db2.gz YEHBEMWAGJDPJJ-LBPRGKRZSA-N 2 2 210.365 2.415 20 30 BEEDLP C=CCOc1ccccc1C[NH2+]C[C@H]1CCC[NH2+]1 ZINC000414843019 386757612 /nfs/dbraw/zinc/75/76/12/386757612.db2.gz JDEDTSQTPXXNPF-CQSZACIVSA-N 2 2 246.354 2.093 20 30 BEEDLP C=CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000020361803 386793591 /nfs/dbraw/zinc/79/35/91/386793591.db2.gz UZWQRNPTKSMINY-CQSZACIVSA-N 2 2 216.328 2.037 20 30 BEEDLP C=CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000020361803 386793598 /nfs/dbraw/zinc/79/35/98/386793598.db2.gz UZWQRNPTKSMINY-CQSZACIVSA-N 2 2 216.328 2.037 20 30 BEEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CC(C)(C)CCC#N ZINC000344898437 386796394 /nfs/dbraw/zinc/79/63/94/386796394.db2.gz RFZBZLXGLRWMPN-TZMCWYRMSA-N 2 2 249.402 2.389 20 30 BEEDLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CC(C)(C)CCC#N ZINC000344898437 386796398 /nfs/dbraw/zinc/79/63/98/386796398.db2.gz RFZBZLXGLRWMPN-TZMCWYRMSA-N 2 2 249.402 2.389 20 30 BEEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CS[C@@H](C)C2)CC1 ZINC000638523749 386855815 /nfs/dbraw/zinc/85/58/15/386855815.db2.gz GGPCCXSFDNSHRE-AAEUAGOBSA-N 2 2 240.416 2.120 20 30 BEEDLP CC[NH+](CC)CC[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000192595423 386996064 /nfs/dbraw/zinc/99/60/64/386996064.db2.gz ZSQSCUSAHTXPDS-OLZOCXBDSA-N 2 2 223.364 2.000 20 30 BEEDLP C[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc(C#N)c(F)c1 ZINC000423315549 387155958 /nfs/dbraw/zinc/15/59/58/387155958.db2.gz IZBYOWGJLASTBK-LKFCYVNXSA-N 2 2 247.317 2.085 20 30 BEEDLP N#C[C@@H]1CC[C@@H]([NH2+]CCCNc2cccc[nH+]2)C1 ZINC000442774461 387836774 /nfs/dbraw/zinc/83/67/74/387836774.db2.gz ZEVPJGGNZCHTJM-CHWSQXEVSA-N 2 2 244.342 2.165 20 30 BEEDLP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000442782957 387839945 /nfs/dbraw/zinc/83/99/45/387839945.db2.gz PEPPMYLQEMKHJI-QPSCCSFWSA-N 2 2 249.402 2.389 20 30 BEEDLP N#C[C@@H]1CC[C@@H]([NH2+][C@@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000442792506 387842455 /nfs/dbraw/zinc/84/24/55/387842455.db2.gz QHKAHXLGCAIREW-MGPQQGTHSA-N 2 2 247.386 2.285 20 30 BEEDLP N#C[C@@H]1CC[C@@H]([NH2+][C@@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000442792506 387842459 /nfs/dbraw/zinc/84/24/59/387842459.db2.gz QHKAHXLGCAIREW-MGPQQGTHSA-N 2 2 247.386 2.285 20 30 BEEDLP C=C(C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000423032128 387848905 /nfs/dbraw/zinc/84/89/05/387848905.db2.gz VSLKNOLFQHDNAQ-DZGCQCFKSA-N 2 2 230.355 2.430 20 30 BEEDLP C=CCC[C@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)C1CC1 ZINC000643537210 387875860 /nfs/dbraw/zinc/87/58/60/387875860.db2.gz AZQIYLCVPCUFIU-AVGNSLFASA-N 2 2 226.339 2.021 20 30 BEEDLP N#C[C@@H]1CCC[C@@H]([NH2+]C[C@H]([NH3+])c2ccccc2)C1 ZINC000423248429 388032183 /nfs/dbraw/zinc/03/21/83/388032183.db2.gz RTVZPVKQHIOONB-YUELXQCFSA-N 2 2 243.354 2.358 20 30 BEEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000449446215 388208324 /nfs/dbraw/zinc/20/83/24/388208324.db2.gz OXFFFQYKYFDXOK-OSFYFWSMSA-N 2 2 247.386 2.141 20 30 BEEDLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000449446215 388208327 /nfs/dbraw/zinc/20/83/27/388208327.db2.gz OXFFFQYKYFDXOK-OSFYFWSMSA-N 2 2 247.386 2.141 20 30 BEEDLP C#C[C@H]([NH2+]Cc1c[nH+]cn1CC)C(C)(C)C ZINC000491771862 388319438 /nfs/dbraw/zinc/31/94/38/388319438.db2.gz RNVJGDGLKZXNIB-LBPRGKRZSA-N 2 2 219.332 2.041 20 30 BEEDLP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C#N)o2)C1 ZINC000175013007 388444903 /nfs/dbraw/zinc/44/49/03/388444903.db2.gz NMTULDXUELDDNO-NWDGAFQWSA-N 2 2 247.342 2.114 20 30 BEEDLP C[C@H]1CC[N@H+](CC[NH2+]CC(C)(C)CCC#N)C1 ZINC000524771338 388409510 /nfs/dbraw/zinc/40/95/10/388409510.db2.gz FRLVFQIRMXIQRS-ZDUSSCGKSA-N 2 2 237.391 2.248 20 30 BEEDLP C[C@H]1CC[N@@H+](CC[NH2+]CC(C)(C)CCC#N)C1 ZINC000524771338 388409513 /nfs/dbraw/zinc/40/95/13/388409513.db2.gz FRLVFQIRMXIQRS-ZDUSSCGKSA-N 2 2 237.391 2.248 20 30 BEEDLP Cc1cc(C[NH2+]C[C@H]2CCC[N@H+]2C)ccc1C#N ZINC000443984386 388421579 /nfs/dbraw/zinc/42/15/79/388421579.db2.gz IXPLVXXKJQBKOU-OAHLLOKOSA-N 2 2 243.354 2.051 20 30 BEEDLP Cc1cc(C[NH2+]C[C@H]2CCC[N@@H+]2C)ccc1C#N ZINC000443984386 388421585 /nfs/dbraw/zinc/42/15/85/388421585.db2.gz IXPLVXXKJQBKOU-OAHLLOKOSA-N 2 2 243.354 2.051 20 30 BEEDLP C=CC[C@@H](C)[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000154552111 388626854 /nfs/dbraw/zinc/62/68/54/388626854.db2.gz UIGRHHWEVIKLDL-AGIUHOORSA-N 2 2 210.365 2.271 20 30 BEEDLP C=CC[C@@H](C)[C@H](C)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000154552111 388626856 /nfs/dbraw/zinc/62/68/56/388626856.db2.gz UIGRHHWEVIKLDL-AGIUHOORSA-N 2 2 210.365 2.271 20 30 BEEDLP C[C@H]1C[C@H]([NH+](C)Cc2ccc(C#N)o2)CC[N@@H+]1C ZINC000093644184 388745887 /nfs/dbraw/zinc/74/58/87/388745887.db2.gz KUEJTBJIJDVPCY-NWDGAFQWSA-N 2 2 247.342 2.066 20 30 BEEDLP C[C@H]1C[C@H]([NH+](C)Cc2ccc(C#N)o2)CC[N@H+]1C ZINC000093644184 388745889 /nfs/dbraw/zinc/74/58/89/388745889.db2.gz KUEJTBJIJDVPCY-NWDGAFQWSA-N 2 2 247.342 2.066 20 30 BEEDLP C[C@H]1C[C@H]([N@H+](C)Cc2ccc(C#N)o2)CC[NH+]1C ZINC000093644184 388745892 /nfs/dbraw/zinc/74/58/92/388745892.db2.gz KUEJTBJIJDVPCY-NWDGAFQWSA-N 2 2 247.342 2.066 20 30 BEEDLP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(C#N)o2)CC[NH+]1C ZINC000093644184 388745894 /nfs/dbraw/zinc/74/58/94/388745894.db2.gz KUEJTBJIJDVPCY-NWDGAFQWSA-N 2 2 247.342 2.066 20 30 BEEDLP C[NH+](C)[C@H]1CCC[N@H+](Cc2ccc(C#N)o2)CC1 ZINC000277392800 388746523 /nfs/dbraw/zinc/74/65/23/388746523.db2.gz HBWNHDBMLRRNQD-LBPRGKRZSA-N 2 2 247.342 2.067 20 30 BEEDLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2ccc(C#N)o2)CC1 ZINC000277392800 388746526 /nfs/dbraw/zinc/74/65/26/388746526.db2.gz HBWNHDBMLRRNQD-LBPRGKRZSA-N 2 2 247.342 2.067 20 30 BEEDLP CC[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)c1ccc(C#N)cc1 ZINC000423244048 388689632 /nfs/dbraw/zinc/68/96/32/388689632.db2.gz XDIYELUUCCUARQ-HUUCEWRRSA-N 2 2 243.354 2.351 20 30 BEEDLP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000423452743 388692620 /nfs/dbraw/zinc/69/26/20/388692620.db2.gz WUJBXJWKCLPPBW-GUBZILKMSA-N 2 2 235.306 2.084 20 30 BEEDLP C[C@@H](CCCC#N)[NH2+][C@]1(C)CCC[N@H+](C)C1 ZINC001172493912 974842159 /nfs/dbraw/zinc/84/21/59/974842159.db2.gz WNZGOOKCEGUEPP-QWHCGFSZSA-N 2 2 223.364 2.143 20 30 BEEDLP C[C@@H](CCCC#N)[NH2+][C@]1(C)CCC[N@@H+](C)C1 ZINC001172493912 974842161 /nfs/dbraw/zinc/84/21/61/974842161.db2.gz WNZGOOKCEGUEPP-QWHCGFSZSA-N 2 2 223.364 2.143 20 30 BEEDLP C=CC[C@H](CC)[NH2+]Cc1c[nH+]c(C)n1C ZINC000565843367 388974504 /nfs/dbraw/zinc/97/45/04/388974504.db2.gz MJDQTUINBPQFMD-NSHDSACASA-N 2 2 207.321 2.173 20 30 BEEDLP C[N@H+](CC1(C#N)CCC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000336262499 134141473 /nfs/dbraw/zinc/14/14/73/134141473.db2.gz QOTFAFVZAZXFJX-PBWFPOADSA-N 2 2 247.386 2.237 20 30 BEEDLP C[N@@H+](CC1(C#N)CCC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000336262499 134141474 /nfs/dbraw/zinc/14/14/74/134141474.db2.gz QOTFAFVZAZXFJX-PBWFPOADSA-N 2 2 247.386 2.237 20 30 BEEDLP C[NH+](CC1(C#N)CCC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000336262499 134141475 /nfs/dbraw/zinc/14/14/75/134141475.db2.gz QOTFAFVZAZXFJX-PBWFPOADSA-N 2 2 247.386 2.237 20 30 BEEDLP C[NH+](CC1(C#N)CCC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000336262499 134141476 /nfs/dbraw/zinc/14/14/76/134141476.db2.gz QOTFAFVZAZXFJX-PBWFPOADSA-N 2 2 247.386 2.237 20 30 BEEDLP C=CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000353605890 134164699 /nfs/dbraw/zinc/16/46/99/134164699.db2.gz CKPLJIIHUKGBHQ-QJPTWQEYSA-N 2 2 233.359 2.457 20 30 BEEDLP C=CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000353605890 134164700 /nfs/dbraw/zinc/16/47/00/134164700.db2.gz CKPLJIIHUKGBHQ-QJPTWQEYSA-N 2 2 233.359 2.457 20 30 BEEDLP C=CC[N@@H+](CCCc1ccc(C)[nH+]c1)CCOC ZINC000355107803 134171782 /nfs/dbraw/zinc/17/17/82/134171782.db2.gz CTRRTNIVHKIIBF-UHFFFAOYSA-N 2 2 248.370 2.457 20 30 BEEDLP C=CC[N@H+](CCCc1ccc(C)[nH+]c1)CCOC ZINC000355107803 134171783 /nfs/dbraw/zinc/17/17/83/134171783.db2.gz CTRRTNIVHKIIBF-UHFFFAOYSA-N 2 2 248.370 2.457 20 30 BEEDLP C=C(Cl)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000360699308 134201688 /nfs/dbraw/zinc/20/16/88/134201688.db2.gz ONWKCMJIGKBDOR-UHFFFAOYSA-N 2 2 225.723 2.342 20 30 BEEDLP CC1CC[NH+](CC[NH2+][C@@H]2CCC[C@H](C#N)C2)CC1 ZINC000185779423 134395103 /nfs/dbraw/zinc/39/51/03/134395103.db2.gz LGROKZGZNKMVBG-LSDHHAIUSA-N 2 2 249.402 2.390 20 30 BEEDLP C=CCC[C@@H](C)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000336738377 134919525 /nfs/dbraw/zinc/91/95/25/134919525.db2.gz KCBAJBSNEASNME-VXGBXAGGSA-N 2 2 219.332 2.142 20 30 BEEDLP C[C@@H]1CCC[N@H+](CC[NH2+][C@H]2CCC[C@@H](C#N)C2)C1 ZINC000248838083 135022388 /nfs/dbraw/zinc/02/23/88/135022388.db2.gz NHQHCLHVXSGTRO-KFWWJZLASA-N 2 2 249.402 2.390 20 30 BEEDLP C[C@@H]1CCC[N@@H+](CC[NH2+][C@H]2CCC[C@@H](C#N)C2)C1 ZINC000248838083 135022390 /nfs/dbraw/zinc/02/23/90/135022390.db2.gz NHQHCLHVXSGTRO-KFWWJZLASA-N 2 2 249.402 2.390 20 30 BEEDLP CCCn1cc[nH+]c1CCC[N@H+](C)CCC#N ZINC000298398135 135199124 /nfs/dbraw/zinc/19/91/24/135199124.db2.gz DZKDDNUEWNTPRO-UHFFFAOYSA-N 2 2 234.347 2.071 20 30 BEEDLP CCCn1cc[nH+]c1CCC[N@@H+](C)CCC#N ZINC000298398135 135199125 /nfs/dbraw/zinc/19/91/25/135199125.db2.gz DZKDDNUEWNTPRO-UHFFFAOYSA-N 2 2 234.347 2.071 20 30 BEEDLP C=CCOc1ccccc1C[N@H+]1C[C@H](C)[C@H]([NH3+])C1 ZINC000261988095 135269676 /nfs/dbraw/zinc/26/96/76/135269676.db2.gz JZPXYLJACUQCJU-GXTWGEPZSA-N 2 2 246.354 2.030 20 30 BEEDLP C=CCOc1ccccc1C[N@@H+]1C[C@H](C)[C@H]([NH3+])C1 ZINC000261988095 135269677 /nfs/dbraw/zinc/26/96/77/135269677.db2.gz JZPXYLJACUQCJU-GXTWGEPZSA-N 2 2 246.354 2.030 20 30 BEEDLP Cc1cc[nH+]cc1CCC[NH2+]CCCC#N ZINC000290417180 135374772 /nfs/dbraw/zinc/37/47/72/135374772.db2.gz QQPORTMUJCPCGN-UHFFFAOYSA-N 2 2 217.316 2.216 20 30 BEEDLP C=C(C)C[N@@H+](C)Cc1ncc(C[NH+](C)C)s1 ZINC000348136163 136038728 /nfs/dbraw/zinc/03/87/28/136038728.db2.gz WZKAZIANDSMIFD-UHFFFAOYSA-N 2 2 239.388 2.213 20 30 BEEDLP C=C(C)C[N@H+](C)Cc1ncc(C[NH+](C)C)s1 ZINC000348136163 136038729 /nfs/dbraw/zinc/03/87/29/136038729.db2.gz WZKAZIANDSMIFD-UHFFFAOYSA-N 2 2 239.388 2.213 20 30 BEEDLP C#CC[N@H+](CC#CC)CCCc1c[nH+]ccc1C ZINC000491264956 398034718 /nfs/dbraw/zinc/03/47/18/398034718.db2.gz IYFJDMAYPFNMLM-UHFFFAOYSA-N 2 2 240.350 2.281 20 30 BEEDLP C#CC[N@@H+](CC#CC)CCCc1c[nH+]ccc1C ZINC000491264956 398034723 /nfs/dbraw/zinc/03/47/23/398034723.db2.gz IYFJDMAYPFNMLM-UHFFFAOYSA-N 2 2 240.350 2.281 20 30 BEEDLP C=CCCC[C@H](C)[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000398107947 322864654 /nfs/dbraw/zinc/86/46/54/322864654.db2.gz LNJDUNCOYIFNCC-IHRRRGAJSA-N 2 2 240.391 2.088 20 30 BEEDLP C#CCCC[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000271195092 166130212 /nfs/dbraw/zinc/13/02/12/166130212.db2.gz DGFCPAHDUNXTLQ-KGLIPLIRSA-N 2 2 231.343 2.179 20 30 BEEDLP C#CCCC[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000271195092 166130214 /nfs/dbraw/zinc/13/02/14/166130214.db2.gz DGFCPAHDUNXTLQ-KGLIPLIRSA-N 2 2 231.343 2.179 20 30 BEEDLP C#CCCC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000270992742 166130737 /nfs/dbraw/zinc/13/07/37/166130737.db2.gz DZHOQFUGDMQETL-GFCCVEGCSA-N 2 2 217.316 2.003 20 30 BEEDLP C#CCCC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000270992742 166130741 /nfs/dbraw/zinc/13/07/41/166130741.db2.gz DZHOQFUGDMQETL-GFCCVEGCSA-N 2 2 217.316 2.003 20 30 BEEDLP C=CCCC[NH2+]Cc1cccc2[nH+]ccn21 ZINC000279182523 166242129 /nfs/dbraw/zinc/24/21/29/166242129.db2.gz SANXPTLLPOBKQZ-UHFFFAOYSA-N 2 2 215.300 2.390 20 30 BEEDLP C=CCCC[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000309140734 166244447 /nfs/dbraw/zinc/24/44/47/166244447.db2.gz SYBLDWBZWZISLW-WCQYABFASA-N 2 2 208.349 2.025 20 30 BEEDLP C=CCCC[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000309140734 166244448 /nfs/dbraw/zinc/24/44/48/166244448.db2.gz SYBLDWBZWZISLW-WCQYABFASA-N 2 2 208.349 2.025 20 30 BEEDLP C=CCC[C@@H]([NH2+][C@H](C)C[NH2+]C)c1ccco1 ZINC000665298599 410831358 /nfs/dbraw/zinc/83/13/58/410831358.db2.gz YSLOYYHFCKXSIY-VXGBXAGGSA-N 2 2 222.332 2.484 20 30 BEEDLP C=CC[C@H](CC)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657456583 411516705 /nfs/dbraw/zinc/51/67/05/411516705.db2.gz SOGGDFVHFLBWBI-NSHDSACASA-N 2 2 219.332 2.274 20 30 BEEDLP C=CCCCC[N@@H+]1CCn2c[nH+]cc2C1 ZINC000660584374 411604071 /nfs/dbraw/zinc/60/40/71/411604071.db2.gz SDKTXALPFQAVHG-UHFFFAOYSA-N 2 2 205.305 2.055 20 30 BEEDLP C=CCCCC[N@H+]1CCn2c[nH+]cc2C1 ZINC000660584374 411604073 /nfs/dbraw/zinc/60/40/73/411604073.db2.gz SDKTXALPFQAVHG-UHFFFAOYSA-N 2 2 205.305 2.055 20 30 BEEDLP C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CCn1cc[nH+]c1C ZINC000662087672 411981806 /nfs/dbraw/zinc/98/18/06/411981806.db2.gz HOJIVXNYAORSLU-OKILXGFUSA-N 2 2 231.343 2.375 20 30 BEEDLP C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCn1cc[nH+]c1C ZINC000662087672 411981811 /nfs/dbraw/zinc/98/18/11/411981811.db2.gz HOJIVXNYAORSLU-OKILXGFUSA-N 2 2 231.343 2.375 20 30 BEEDLP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCCc2occc21 ZINC000328060564 262902892 /nfs/dbraw/zinc/90/28/92/262902892.db2.gz BGJXEOKOOKJJPL-CQSZACIVSA-N 2 2 246.354 2.202 20 30 BEEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCCc2occc21 ZINC000328060564 262902893 /nfs/dbraw/zinc/90/28/93/262902893.db2.gz BGJXEOKOOKJJPL-CQSZACIVSA-N 2 2 246.354 2.202 20 30 BEEDLP C=C1CC[NH+](CCCc2c[nH+]cn2C)CC1 ZINC000566418572 326043460 /nfs/dbraw/zinc/04/34/60/326043460.db2.gz IXLIHPDKAORXLP-UHFFFAOYSA-N 2 2 219.332 2.005 20 30 BEEDLP CCC#C[C@H](C)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000672554904 488259756 /nfs/dbraw/zinc/25/97/56/488259756.db2.gz RSNWFLAIQGTKPV-DZGCQCFKSA-N 2 2 244.338 2.337 20 30 BEEDLP CCC#C[C@H](C)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000672554904 488259759 /nfs/dbraw/zinc/25/97/59/488259759.db2.gz RSNWFLAIQGTKPV-DZGCQCFKSA-N 2 2 244.338 2.337 20 30 BEEDLP CCC#C[C@@H](C)[N@H+](C)CCCn1cc[nH+]c1 ZINC000678721768 488278470 /nfs/dbraw/zinc/27/84/70/488278470.db2.gz MSVPTMULGNLCKS-CYBMUJFWSA-N 2 2 219.332 2.007 20 30 BEEDLP CCC#C[C@@H](C)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000678721768 488278472 /nfs/dbraw/zinc/27/84/72/488278472.db2.gz MSVPTMULGNLCKS-CYBMUJFWSA-N 2 2 219.332 2.007 20 30 BEEDLP C=CCC[C@H](C)[NH2+]CCCn1cc[nH+]c1 ZINC000096034256 518721329 /nfs/dbraw/zinc/72/13/29/518721329.db2.gz OTSNDEWESKRGEQ-LBPRGKRZSA-N 2 2 207.321 2.218 20 30 BEEDLP C=CCC[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1C)C1CC1 ZINC000227828197 534798165 /nfs/dbraw/zinc/79/81/65/534798165.db2.gz AXXHAFUMJJVJNV-UONOGXRCSA-N 2 2 222.376 2.415 20 30 BEEDLP C=CCC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC000227828197 534798168 /nfs/dbraw/zinc/79/81/68/534798168.db2.gz AXXHAFUMJJVJNV-UONOGXRCSA-N 2 2 222.376 2.415 20 30 BEEDLP N#Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1c[nH+]c[nH]1 ZINC000894589125 583489990 /nfs/dbraw/zinc/48/99/90/583489990.db2.gz IIMQMVKWJCHOET-CQSZACIVSA-N 2 2 238.294 2.058 20 30 BEEDLP N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1c[nH+]c[nH]1 ZINC000894589111 583490488 /nfs/dbraw/zinc/49/04/88/583490488.db2.gz IIMQMVKWJCHOET-AWEZNQCLSA-N 2 2 238.294 2.058 20 30 BEEDLP CC1(C)CC[N@H+](CC[NH2+][C@H]2CC[C@@H](C#N)C2)C1 ZINC000898034097 584078387 /nfs/dbraw/zinc/07/83/87/584078387.db2.gz HYMKLUFESICYEW-OLZOCXBDSA-N 2 2 235.375 2.000 20 30 BEEDLP CC1(C)CC[N@@H+](CC[NH2+][C@H]2CC[C@@H](C#N)C2)C1 ZINC000898034097 584078389 /nfs/dbraw/zinc/07/83/89/584078389.db2.gz HYMKLUFESICYEW-OLZOCXBDSA-N 2 2 235.375 2.000 20 30 BEEDLP C[C@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1ccc(C#N)cc1 ZINC000902470787 584616749 /nfs/dbraw/zinc/61/67/49/584616749.db2.gz GQCFSYJFSGHUAX-BSLXNSKLSA-N 2 2 241.338 2.102 20 30 BEEDLP N#CC1(CCCC[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)CCC1 ZINC000903752478 584795520 /nfs/dbraw/zinc/79/55/20/584795520.db2.gz TXTWLPQISBUJGI-KGLIPLIRSA-N 2 2 247.386 2.144 20 30 BEEDLP N#CC1(CCCC[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)CCC1 ZINC000903752478 584795522 /nfs/dbraw/zinc/79/55/22/584795522.db2.gz TXTWLPQISBUJGI-KGLIPLIRSA-N 2 2 247.386 2.144 20 30 BEEDLP C=C[C@@H]1CCCC[N@H+]1C[C@H]([NH3+])CC(F)F ZINC000903914745 584819118 /nfs/dbraw/zinc/81/91/18/584819118.db2.gz VUADETKZIDTJCT-NXEZZACHSA-N 2 2 218.291 2.009 20 30 BEEDLP C=C[C@@H]1CCCC[N@@H+]1C[C@H]([NH3+])CC(F)F ZINC000903914745 584819120 /nfs/dbraw/zinc/81/91/20/584819120.db2.gz VUADETKZIDTJCT-NXEZZACHSA-N 2 2 218.291 2.009 20 30 BEEDLP C=CC[N@@H+](CCOC)C[C@@H]([NH3+])CCC(C)(C)C ZINC000904346692 584868328 /nfs/dbraw/zinc/86/83/28/584868328.db2.gz YGZRFXHXVYATOG-ZDUSSCGKSA-N 2 2 242.407 2.274 20 30 BEEDLP C=CC[N@H+](CCOC)C[C@@H]([NH3+])CCC(C)(C)C ZINC000904346692 584868329 /nfs/dbraw/zinc/86/83/29/584868329.db2.gz YGZRFXHXVYATOG-ZDUSSCGKSA-N 2 2 242.407 2.274 20 30 BEEDLP C=C(Cl)C[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000839535931 585328662 /nfs/dbraw/zinc/32/86/62/585328662.db2.gz KRDHXOFHDKUPGQ-UHFFFAOYSA-N 2 2 228.767 2.299 20 30 BEEDLP C=C(Cl)C[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000839535931 585328663 /nfs/dbraw/zinc/32/86/63/585328663.db2.gz KRDHXOFHDKUPGQ-UHFFFAOYSA-N 2 2 228.767 2.299 20 30 BEEDLP CN(C)c1cc[nH+]cc1C=[NH+]O[C@@H]1CCCCO1 ZINC000776188318 585692474 /nfs/dbraw/zinc/69/24/74/585692474.db2.gz ZJVJBZKVJWQWGZ-CYBMUJFWSA-N 2 2 249.314 2.025 20 30 BEEDLP C=CC[C@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]1)c1ccncc1 ZINC000817895305 586834537 /nfs/dbraw/zinc/83/45/37/586834537.db2.gz XQOFMNBQAMKYLR-YUELXQCFSA-N 2 2 245.370 2.429 20 30 BEEDLP C[C@@H](CC/[NH+]=C/c1ccccc1O)[NH+](C)C ZINC000849170498 588459336 /nfs/dbraw/zinc/45/93/36/588459336.db2.gz QEYBKKBYSKMQLH-IWQAVIMZSA-N 2 2 220.316 2.151 20 30 BEEDLP c1cnn([NH+]=C2CCc3ccc[nH+]c3CC2)c1 ZINC000863163468 589266163 /nfs/dbraw/zinc/26/61/63/589266163.db2.gz DZZDNHVKBYVCGC-UHFFFAOYSA-N 2 2 226.283 2.061 20 30 BEEDLP C=CC[C@@H](C)[NH+]1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000878197326 590523110 /nfs/dbraw/zinc/52/31/10/590523110.db2.gz GGVJCRKNMVBKDT-CQSZACIVSA-N 2 2 245.370 2.477 20 30 BEEDLP C#CCCCCC[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000878302167 590538388 /nfs/dbraw/zinc/53/83/88/590538388.db2.gz INFOYNOTGCDXJW-CQSZACIVSA-N 2 2 245.370 2.403 20 30 BEEDLP C#CCCCCC[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000878302167 590538389 /nfs/dbraw/zinc/53/83/89/590538389.db2.gz INFOYNOTGCDXJW-CQSZACIVSA-N 2 2 245.370 2.403 20 30 BEEDLP CC#CC[NH+]1CCC(C)([NH+]2CCCCC2)CC1 ZINC000879948604 590895361 /nfs/dbraw/zinc/89/53/61/590895361.db2.gz HYFMUHPZVNSQHT-UHFFFAOYSA-N 2 2 234.387 2.350 20 30 BEEDLP C#CC[NH+]1CCC(CC)([NH+]2CCCCC2)CC1 ZINC000880257240 590979361 /nfs/dbraw/zinc/97/93/61/590979361.db2.gz ULSHVSCYKCZQQK-UHFFFAOYSA-N 2 2 234.387 2.350 20 30 BEEDLP N#CCCCC[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000924943392 635796222 /nfs/dbraw/zinc/79/62/22/635796222.db2.gz USINAUMZTLCPDQ-UONOGXRCSA-N 2 2 235.375 2.287 20 30 BEEDLP N#CCCCC[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000924943392 635796225 /nfs/dbraw/zinc/79/62/25/635796225.db2.gz USINAUMZTLCPDQ-UONOGXRCSA-N 2 2 235.375 2.287 20 30 BEEDLP C#Cc1ccc(C[NH2+][C@H]2CC[N@@H+](CCC)C2)cc1 ZINC000850394719 632975325 /nfs/dbraw/zinc/97/53/25/632975325.db2.gz AQEVCNVOVGQKRZ-INIZCTEOSA-N 2 2 242.366 2.242 20 30 BEEDLP C#Cc1ccc(C[NH2+][C@H]2CC[N@H+](CCC)C2)cc1 ZINC000850394719 632975329 /nfs/dbraw/zinc/97/53/29/632975329.db2.gz AQEVCNVOVGQKRZ-INIZCTEOSA-N 2 2 242.366 2.242 20 30 BEEDLP C=C(C)COCC[NH2+][C@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925617226 634166669 /nfs/dbraw/zinc/16/66/69/634166669.db2.gz BVLPXNPYUBDJHM-HIFRSBDPSA-N 2 2 248.370 2.257 20 30 BEEDLP C[C@@H](CC(C)(C)C#N)[NH2+]CC[N@@H+]1CCC[C@H]1C ZINC000925174560 636353022 /nfs/dbraw/zinc/35/30/22/636353022.db2.gz AYEIYXTVOMMMNU-QWHCGFSZSA-N 2 2 237.391 2.389 20 30 BEEDLP C[C@@H](CC(C)(C)C#N)[NH2+]CC[N@H+]1CCC[C@H]1C ZINC000925174560 636353028 /nfs/dbraw/zinc/35/30/28/636353028.db2.gz AYEIYXTVOMMMNU-QWHCGFSZSA-N 2 2 237.391 2.389 20 30 BEEDLP C[C@H](CC(C)(C)C#N)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000925197003 636376449 /nfs/dbraw/zinc/37/64/49/636376449.db2.gz JTRJSANGLTXVQD-CHWSQXEVSA-N 2 2 237.391 2.246 20 30 BEEDLP C[C@H](CC(C)(C)C#N)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000925197003 636376461 /nfs/dbraw/zinc/37/64/61/636376461.db2.gz JTRJSANGLTXVQD-CHWSQXEVSA-N 2 2 237.391 2.246 20 30 BEEDLP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H](C#N)C1 ZINC000932152787 640443334 /nfs/dbraw/zinc/44/33/34/640443334.db2.gz UODBABDISOJMGN-CQSZACIVSA-N 2 2 246.358 2.207 20 30 BEEDLP N#CCCCC[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000924943391 646137963 /nfs/dbraw/zinc/13/79/63/646137963.db2.gz USINAUMZTLCPDQ-KGLIPLIRSA-N 2 2 235.375 2.287 20 30 BEEDLP N#CCCCC[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000924943391 646137966 /nfs/dbraw/zinc/13/79/66/646137966.db2.gz USINAUMZTLCPDQ-KGLIPLIRSA-N 2 2 235.375 2.287 20 30 BEEDLP C[C@@H](CC(C)(C)C#N)[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000925013397 646158874 /nfs/dbraw/zinc/15/88/74/646158874.db2.gz VADVJFAGLWRSIL-JSGCOSHPSA-N 2 2 249.402 2.389 20 30 BEEDLP C[C@@H](CC(C)(C)C#N)[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000925013397 646158885 /nfs/dbraw/zinc/15/88/85/646158885.db2.gz VADVJFAGLWRSIL-JSGCOSHPSA-N 2 2 249.402 2.389 20 30 BEEDLP C[C@H](CC(C)(C)C#N)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000926228420 646600580 /nfs/dbraw/zinc/60/05/80/646600580.db2.gz HRXWSFNQNHFTCQ-NEPJUHHUSA-N 2 2 246.358 2.116 20 30 BEEDLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)CC(C)(C)C#N ZINC000709992452 712238103 /nfs/dbraw/zinc/23/81/03/712238103.db2.gz WNXIZVYWGMOMLM-NWDGAFQWSA-N 2 2 234.347 2.190 20 30 BEEDLP C[N@@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CCC(C)(C)C#N ZINC000720351747 712832853 /nfs/dbraw/zinc/83/28/53/712832853.db2.gz FMZYAVTYDLXHHZ-STQMWFEESA-N 2 2 235.375 2.095 20 30 BEEDLP C[N@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CCC(C)(C)C#N ZINC000720351747 712832855 /nfs/dbraw/zinc/83/28/55/712832855.db2.gz FMZYAVTYDLXHHZ-STQMWFEESA-N 2 2 235.375 2.095 20 30 BEEDLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@@H+]2CCC(C)(C)C#N ZINC000720351747 712832856 /nfs/dbraw/zinc/83/28/56/712832856.db2.gz FMZYAVTYDLXHHZ-STQMWFEESA-N 2 2 235.375 2.095 20 30 BEEDLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@H+]2CCC(C)(C)C#N ZINC000720351747 712832859 /nfs/dbraw/zinc/83/28/59/712832859.db2.gz FMZYAVTYDLXHHZ-STQMWFEESA-N 2 2 235.375 2.095 20 30 BEEDLP C#C[C@@H](C)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000381531897 710651343 /nfs/dbraw/zinc/65/13/43/710651343.db2.gz ZKLKKEJVBKXRBC-SNVBAGLBSA-N 2 2 231.324 2.045 20 30 BEEDLP CC[N@H+](C)C1CC[NH+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC001254677420 969785404 /nfs/dbraw/zinc/78/54/04/969785404.db2.gz SXYGMPPJCQHGTC-OCCSQVGLSA-N 2 2 235.375 2.095 20 30 BEEDLP CC[N@@H+](C)C1CC[NH+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC001254677420 969785408 /nfs/dbraw/zinc/78/54/08/969785408.db2.gz SXYGMPPJCQHGTC-OCCSQVGLSA-N 2 2 235.375 2.095 20 30 BEEDLP C[C@H](CC(C)(C)C#N)[NH2+]CC[NH+]1CCCC1 ZINC000695811973 1166689376 /nfs/dbraw/zinc/68/93/76/1166689376.db2.gz LKCAGKCNBVIUEY-GFCCVEGCSA-N 2 2 223.364 2.000 20 30 BEEDLP C#CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000307740096 1167158909 /nfs/dbraw/zinc/15/89/09/1167158909.db2.gz MQJBEZAJDBHIRA-GDBMZVCRSA-N 2 2 242.366 2.262 20 30 BEEDLP C#CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000307740096 1167158912 /nfs/dbraw/zinc/15/89/12/1167158912.db2.gz MQJBEZAJDBHIRA-GDBMZVCRSA-N 2 2 242.366 2.262 20 30 BEEDLP CC[NH+](CC)C1CC[NH+](CC2(CC#N)CC2)CC1 ZINC000384230528 1167289535 /nfs/dbraw/zinc/28/95/35/1167289535.db2.gz GESFGVWUDOTGEG-UHFFFAOYSA-N 2 2 249.402 2.486 20 30 BEEDLP CC[N@H+](C1CCC(C#N)CC1)C1CC[NH+](C)CC1 ZINC001256968828 971044027 /nfs/dbraw/zinc/04/40/27/971044027.db2.gz OTMSNWIVOWFLLE-UHFFFAOYSA-N 2 2 249.402 2.485 20 30 BEEDLP CC[N@@H+](C1CCC(C#N)CC1)C1CC[NH+](C)CC1 ZINC001256968828 971044040 /nfs/dbraw/zinc/04/40/40/971044040.db2.gz OTMSNWIVOWFLLE-UHFFFAOYSA-N 2 2 249.402 2.485 20 30 BEEDLP CC[N@H+](CCn1cc[nH+]c1)C1CCC(C#N)CC1 ZINC001256972545 971053226 /nfs/dbraw/zinc/05/32/26/971053226.db2.gz ZRPIZTGMLVGXNT-UHFFFAOYSA-N 2 2 246.358 2.287 20 30 BEEDLP CC[N@@H+](CCn1cc[nH+]c1)C1CCC(C#N)CC1 ZINC001256972545 971053237 /nfs/dbraw/zinc/05/32/37/971053237.db2.gz ZRPIZTGMLVGXNT-UHFFFAOYSA-N 2 2 246.358 2.287 20 30 BEEDLP CCCCCCC[C@@H](C)[NH2+]C1(C[NH3+])COC1 ZINC001258038626 971561148 /nfs/dbraw/zinc/56/11/48/971561148.db2.gz AVNJCIARVKLXGC-GFCCVEGCSA-N 2 2 228.380 2.053 20 30 BEEDLP C[C@H](CC(C)(C)C#N)[NH2+]CC(C)(C)[NH+](C)C ZINC000695776720 960453075 /nfs/dbraw/zinc/45/30/75/960453075.db2.gz FENXLIJBXIFDTG-LLVKDONJSA-N 2 2 225.380 2.245 20 30 BEEDLP CC[NH+](CC)CCC[C@H](C)[N@H+](C)[C@H](C)C#N ZINC001167842016 961234707 /nfs/dbraw/zinc/23/47/07/961234707.db2.gz VSSOFRAODZZGOZ-QWHCGFSZSA-N 2 2 225.380 2.341 20 30 BEEDLP CC[NH+](CC)CCC[C@H](C)[N@@H+](C)[C@H](C)C#N ZINC001167842016 961234716 /nfs/dbraw/zinc/23/47/16/961234716.db2.gz VSSOFRAODZZGOZ-QWHCGFSZSA-N 2 2 225.380 2.341 20 30 BEEDLP CC(C)[C@@](C)(C#N)[NH2+]C1CCC([NH+](C)C)CC1 ZINC001168298052 964392447 /nfs/dbraw/zinc/39/24/47/964392447.db2.gz ZJTYIUOKWBBDFM-JXQTWKCFSA-N 2 2 237.391 2.387 20 30 BEEDLP CC(C)C[N@@H+]1CC[C@H]([NH2+]C2CCC(C#N)CC2)C1 ZINC001256960427 1169848657 /nfs/dbraw/zinc/84/86/57/1169848657.db2.gz YWSYJWCOKLKSJU-NRXISQOPSA-N 2 2 249.402 2.389 20 30 BEEDLP CC(C)C[N@H+]1CC[C@H]([NH2+]C2CCC(C#N)CC2)C1 ZINC001256960427 1169848672 /nfs/dbraw/zinc/84/86/72/1169848672.db2.gz YWSYJWCOKLKSJU-NRXISQOPSA-N 2 2 249.402 2.389 20 30 BEEDLP Cc1ccc(C[N@@H+]2[C@@H](C)CC[C@H]2C[NH3+])cc1C#N ZINC001205068364 967328635 /nfs/dbraw/zinc/32/86/35/967328635.db2.gz HRTMWZRPTSSSRW-WFASDCNBSA-N 2 2 243.354 2.178 20 30 BEEDLP Cc1ccc(C[N@H+]2[C@@H](C)CC[C@H]2C[NH3+])cc1C#N ZINC001205068364 967328649 /nfs/dbraw/zinc/32/86/49/967328649.db2.gz HRTMWZRPTSSSRW-WFASDCNBSA-N 2 2 243.354 2.178 20 30 BEEDLP CC#CC[N@@H+]1CCC[C@H]1CNc1cccc(C)[nH+]1 ZINC001253442210 969174664 /nfs/dbraw/zinc/17/46/64/969174664.db2.gz INIFBWXJBFRKDR-AWEZNQCLSA-N 2 2 243.354 2.290 20 30 BEEDLP CC#CC[N@H+]1CCC[C@H]1CNc1cccc(C)[nH+]1 ZINC001253442210 969174668 /nfs/dbraw/zinc/17/46/68/969174668.db2.gz INIFBWXJBFRKDR-AWEZNQCLSA-N 2 2 243.354 2.290 20 30 BEEDLP N#C[C@H]1CC[C@@H]([NH2+][C@H]2CC[N@H+](CC3CCC3)C2)C1 ZINC001254650602 969763479 /nfs/dbraw/zinc/76/34/79/969763479.db2.gz WAGALAZTNNPXJJ-ZNMIVQPWSA-N 2 2 247.386 2.143 20 30 BEEDLP N#C[C@H]1CC[C@@H]([NH2+][C@H]2CC[N@@H+](CC3CCC3)C2)C1 ZINC001254650602 969763483 /nfs/dbraw/zinc/76/34/83/969763483.db2.gz WAGALAZTNNPXJJ-ZNMIVQPWSA-N 2 2 247.386 2.143 20 30 BEEDLP N#C[C@@H]1CC[C@@H](n2cc[nH+]c2[C@@H]2CCC[NH2+]C2)C1 ZINC001254671777 969777587 /nfs/dbraw/zinc/77/75/87/969777587.db2.gz UFBRAWYWQDZAQS-JHJVBQTASA-N 2 2 244.342 2.215 20 30 BEEDLP CC1(C#N)CC[NH+](C2CC[NH+](C3CC3)CC2)CC1 ZINC001256079999 970648078 /nfs/dbraw/zinc/64/80/78/970648078.db2.gz QSZIBSPQMWAJTH-UHFFFAOYSA-N 2 2 247.386 2.239 20 30 BEEDLP C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@@H](C)C[NH+](C)C ZINC001171178103 972806770 /nfs/dbraw/zinc/80/67/70/972806770.db2.gz CEMJHOXVJDFPOX-STQMWFEESA-N 2 2 245.370 2.029 20 30 BEEDLP CCCCCCC[C@H](CC)[NH2+]C1(C[NH3+])COC1 ZINC001172347095 974618591 /nfs/dbraw/zinc/61/85/91/974618591.db2.gz QZGLXFUOMYBAGT-ZDUSSCGKSA-N 2 2 242.407 2.443 20 30 BEEDLP CC(C)[N@@H+]1CC[C@H]([NH2+][C@@H](C)CCCC#N)C1 ZINC001172480436 974780006 /nfs/dbraw/zinc/78/00/06/974780006.db2.gz UFHUURSUNZIOLR-STQMWFEESA-N 2 2 223.364 2.141 20 30 BEEDLP CC(C)[N@H+]1CC[C@H]([NH2+][C@@H](C)CCCC#N)C1 ZINC001172480436 974780008 /nfs/dbraw/zinc/78/00/08/974780008.db2.gz UFHUURSUNZIOLR-STQMWFEESA-N 2 2 223.364 2.141 20 30 BEEDLP CC[N@H+](CCn1cc[nH+]c1)[C@@H](C)CCCC#N ZINC001172510065 974865933 /nfs/dbraw/zinc/86/59/33/974865933.db2.gz VADVIQHEOBSGFH-ZDUSSCGKSA-N 2 2 234.347 2.287 20 30 BEEDLP CC[N@@H+](CCn1cc[nH+]c1)[C@@H](C)CCCC#N ZINC001172510065 974865934 /nfs/dbraw/zinc/86/59/34/974865934.db2.gz VADVIQHEOBSGFH-ZDUSSCGKSA-N 2 2 234.347 2.287 20 30 BEEDLP C[N@@H+]1CCC[C@@H]1C[NH2+]C1CCC(CC#N)CC1 ZINC001173326348 975275050 /nfs/dbraw/zinc/27/50/50/975275050.db2.gz XYDJXKRWRLQEFQ-JXQTWKCFSA-N 2 2 235.375 2.143 20 30 BEEDLP C[N@H+]1CCC[C@@H]1C[NH2+]C1CCC(CC#N)CC1 ZINC001173326348 975275057 /nfs/dbraw/zinc/27/50/57/975275057.db2.gz XYDJXKRWRLQEFQ-JXQTWKCFSA-N 2 2 235.375 2.143 20 30 BEEDLP C[N@H+](C1CC[NH+](C)CC1)C1CCC(C)(C#N)CC1 ZINC001173592488 975443053 /nfs/dbraw/zinc/44/30/53/975443053.db2.gz QJONZBNXHXZTBV-UHFFFAOYSA-N 2 2 249.402 2.485 20 30 BEEDLP C[N@@H+](C1CC[NH+](C)CC1)C1CCC(C)(C#N)CC1 ZINC001173592488 975443067 /nfs/dbraw/zinc/44/30/67/975443067.db2.gz QJONZBNXHXZTBV-UHFFFAOYSA-N 2 2 249.402 2.485 20 30 BEEDLP C[C@H]([NH3+])C[NH+]1CCC(c2ccc(C#N)cc2)CC1 ZINC001236183256 979438420 /nfs/dbraw/zinc/43/84/20/979438420.db2.gz UYXYWXOQEDBWNB-LBPRGKRZSA-N 2 2 243.354 2.085 20 30 BEEDLP Cc1cc(C#N)cc(C)c1C[NH2+]C[C@H]1CCC[NH2+]1 ZINC001579554011 986083854 /nfs/dbraw/zinc/08/38/54/986083854.db2.gz JLLHKRYCGABPIS-CQSZACIVSA-N 2 2 243.354 2.017 20 30 BEEDLP C#CC1([NH2+][C@@H]2CC[C@H](C)[NH2+]C2)CCCCC1 ZINC001246461576 987819239 /nfs/dbraw/zinc/81/92/39/987819239.db2.gz DJMUVSHZSIVQPM-QWHCGFSZSA-N 2 2 220.360 2.053 20 30 BEEDLP C[C@H](CCCC#N)[NH2+][C@H](C[NH3+])c1ccccc1 ZINC001246508585 987863602 /nfs/dbraw/zinc/86/36/02/987863602.db2.gz UMXDNAVWMOGIAH-TZMCWYRMSA-N 2 2 231.343 2.358 20 30 BEEDLP CC[C@H](CC#N)[N@@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001246578756 988089633 /nfs/dbraw/zinc/08/96/33/988089633.db2.gz BXXCTNYMRACZOA-OLZOCXBDSA-N 2 2 223.364 2.130 20 30 BEEDLP CC[C@H](CC#N)[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001246578756 988089650 /nfs/dbraw/zinc/08/96/50/988089650.db2.gz BXXCTNYMRACZOA-OLZOCXBDSA-N 2 2 223.364 2.130 20 30 BEEDLP CCCCCCC[C@@H](CC)[N@H+]1C[C@@H](O)[C@@H]([NH3+])C1 ZINC001246847294 988560957 /nfs/dbraw/zinc/56/09/57/988560957.db2.gz SKLMTLCGGDMDHU-HZSPNIEDSA-N 2 2 242.407 2.129 20 30 BEEDLP CCCCCCC[C@@H](CC)[N@@H+]1C[C@@H](O)[C@@H]([NH3+])C1 ZINC001246847294 988560970 /nfs/dbraw/zinc/56/09/70/988560970.db2.gz SKLMTLCGGDMDHU-HZSPNIEDSA-N 2 2 242.407 2.129 20 30 BEEDLP CCCCCCC[C@@H](C)[N@H+]1C[C@@H](OC)[C@@H]([NH3+])C1 ZINC001246983462 988814405 /nfs/dbraw/zinc/81/44/05/988814405.db2.gz PWORUMNBMTXLES-HZSPNIEDSA-N 2 2 242.407 2.393 20 30 BEEDLP CCCCCCC[C@@H](C)[N@@H+]1C[C@@H](OC)[C@@H]([NH3+])C1 ZINC001246983462 988814417 /nfs/dbraw/zinc/81/44/17/988814417.db2.gz PWORUMNBMTXLES-HZSPNIEDSA-N 2 2 242.407 2.393 20 30 BEEDLP C=C(Cl)C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC001308283515 990960873 /nfs/dbraw/zinc/96/08/73/990960873.db2.gz WURIUNBCYXAKIZ-UHFFFAOYSA-N 2 2 248.717 2.109 20 30 BEEDLP CC[C@@H](C#N)[NH2+][C@H](C)CCC[NH+](CC)CC ZINC000043539236 1171299709 /nfs/dbraw/zinc/29/97/09/1171299709.db2.gz ZPKMBKPWUYONNG-OLZOCXBDSA-N 2 2 225.380 2.389 20 30 BEEDLP C=C(C[NH2+][C@@H]1C[NH2+]CC[C@H]1C)c1ccccc1 ZINC000423021747 398162495 /nfs/dbraw/zinc/16/24/95/398162495.db2.gz CSTJHYGHNFMPNL-IUODEOHRSA-N 2 2 230.355 2.287 20 30 BEEDLP C[C@@H](CCC#N)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000602458923 349554344 /nfs/dbraw/zinc/55/43/44/349554344.db2.gz QYVNNSDWRPELSZ-KBPBESRZSA-N 2 2 246.358 2.460 20 30 BEEDLP C[C@@H](CCC#N)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000602458923 349554346 /nfs/dbraw/zinc/55/43/46/349554346.db2.gz QYVNNSDWRPELSZ-KBPBESRZSA-N 2 2 246.358 2.460 20 30 BEEDLP C[C@@H](CCC#N)C[NH2+]CC[N@@H+]1CCCC[C@H]1C ZINC000602514458 349586932 /nfs/dbraw/zinc/58/69/32/349586932.db2.gz JOPKOXZJFXAWQT-UONOGXRCSA-N 2 2 237.391 2.390 20 30 BEEDLP C[C@@H](CCC#N)C[NH2+]CC[N@H+]1CCCC[C@H]1C ZINC000602514458 349586935 /nfs/dbraw/zinc/58/69/35/349586935.db2.gz JOPKOXZJFXAWQT-UONOGXRCSA-N 2 2 237.391 2.390 20 30 BEEDLP C[C@@H]1CC[N@H+](CC[NH2+]C2CCC(C#N)CC2)C1 ZINC000602594315 349611985 /nfs/dbraw/zinc/61/19/85/349611985.db2.gz RYNYFOLADWMOEY-IYXRBSQSSA-N 2 2 235.375 2.000 20 30 BEEDLP C[C@@H]1CC[N@@H+](CC[NH2+]C2CCC(C#N)CC2)C1 ZINC000602594315 349611988 /nfs/dbraw/zinc/61/19/88/349611988.db2.gz RYNYFOLADWMOEY-IYXRBSQSSA-N 2 2 235.375 2.000 20 30 BEEDLP C[C@H](CCC#N)C[NH2+]C1(C[NH+](C)C)CCC1 ZINC000602647106 349657554 /nfs/dbraw/zinc/65/75/54/349657554.db2.gz FXCKRCOFELECII-GFCCVEGCSA-N 2 2 223.364 2.000 20 30 BEEDLP C[C@@H](CCC#N)C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000602667512 349684497 /nfs/dbraw/zinc/68/44/97/349684497.db2.gz QBDBRZHEITUILU-STQMWFEESA-N 2 2 246.358 2.149 20 30 BEEDLP C[C@@H](CCC#N)C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000602667512 349684502 /nfs/dbraw/zinc/68/45/02/349684502.db2.gz QBDBRZHEITUILU-STQMWFEESA-N 2 2 246.358 2.149 20 30 BEEDLP C[C@@H](CCC#N)C[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000602707595 349700685 /nfs/dbraw/zinc/70/06/85/349700685.db2.gz NWCBSRUGABKWLW-STQMWFEESA-N 2 2 237.391 2.389 20 30 BEEDLP C[C@@H](CCC#N)C[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000602707595 349700686 /nfs/dbraw/zinc/70/06/86/349700686.db2.gz NWCBSRUGABKWLW-STQMWFEESA-N 2 2 237.391 2.389 20 30 BEEDLP CC(C)[NH2+]C1CC[NH+](CC2(CC#N)CC2)CC1 ZINC000602787287 349750660 /nfs/dbraw/zinc/75/06/60/349750660.db2.gz KIZWGJHYDVFBRR-UHFFFAOYSA-N 2 2 235.375 2.143 20 30 BEEDLP C[N@@H+]1CC[C@@H]([NH2+]CCCC#N)[C@@H]1c1ccccc1 ZINC000284227652 136287277 /nfs/dbraw/zinc/28/72/77/136287277.db2.gz KCBGBNJTDBKBEU-CABCVRRESA-N 2 2 243.354 2.325 20 30 BEEDLP C[N@H+]1CC[C@@H]([NH2+]CCCC#N)[C@@H]1c1ccccc1 ZINC000284227652 136287278 /nfs/dbraw/zinc/28/72/78/136287278.db2.gz KCBGBNJTDBKBEU-CABCVRRESA-N 2 2 243.354 2.325 20 30 BEEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CC[C@@H]2C2CC2)CC1 ZINC000348104956 537838454 /nfs/dbraw/zinc/83/84/54/537838454.db2.gz FJIGHEKYINQZIN-HUUCEWRRSA-N 2 2 234.387 2.415 20 30 BEEDLP C[C@@H](CCC#N)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591013254 347606209 /nfs/dbraw/zinc/60/62/09/347606209.db2.gz OPEIRYYNMPJLLG-QWHCGFSZSA-N 2 2 232.331 2.212 20 30 BEEDLP C[C@@H](CCC#N)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591013254 347606211 /nfs/dbraw/zinc/60/62/11/347606211.db2.gz OPEIRYYNMPJLLG-QWHCGFSZSA-N 2 2 232.331 2.212 20 30 BEEDLP CC[NH2+]CC[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000591576860 347676870 /nfs/dbraw/zinc/67/68/70/347676870.db2.gz KQQMRUUKXVMIAZ-HNNXBMFYSA-N 2 2 243.354 2.135 20 30 BEEDLP C[C@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1cccc(C#N)c1 ZINC000591578046 347677455 /nfs/dbraw/zinc/67/74/55/347677455.db2.gz PCMXXNNGAYLLQM-SWLSCSKDSA-N 2 2 243.354 2.351 20 30 BEEDLP C=CCC[C@H](C)[NH2+]CC[NH+]1CCCCC1 ZINC000096034292 166299244 /nfs/dbraw/zinc/29/92/44/166299244.db2.gz BVHFZMCWXJBJKW-ZDUSSCGKSA-N 2 2 210.365 2.417 20 30 BEEDLP C=CC[C@@H](CO)C[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000354588432 348800047 /nfs/dbraw/zinc/80/00/47/348800047.db2.gz WPWKWYXFWFMOBK-OAHLLOKOSA-N 2 2 248.370 2.097 20 30 BEEDLP C[C@@H](CCC#N)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000276284043 351614574 /nfs/dbraw/zinc/61/45/74/351614574.db2.gz GMQTXHLCHZYLTM-LBPRGKRZSA-N 2 2 232.331 2.212 20 30 BEEDLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H](C)CCC#N ZINC000618888364 352166168 /nfs/dbraw/zinc/16/61/68/352166168.db2.gz QXZILFDOYJBVDL-KFWWJZLASA-N 2 2 249.402 2.485 20 30 BEEDLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H](C)CCC#N ZINC000618888364 352166170 /nfs/dbraw/zinc/16/61/70/352166170.db2.gz QXZILFDOYJBVDL-KFWWJZLASA-N 2 2 249.402 2.485 20 30 BEEDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](C)CCC#N ZINC000618888364 352166174 /nfs/dbraw/zinc/16/61/74/352166174.db2.gz QXZILFDOYJBVDL-KFWWJZLASA-N 2 2 249.402 2.485 20 30 BEEDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](C)CCC#N ZINC000618888364 352166180 /nfs/dbraw/zinc/16/61/80/352166180.db2.gz QXZILFDOYJBVDL-KFWWJZLASA-N 2 2 249.402 2.485 20 30 BEEDLP Cc1cc[nH+]cc1CCC[N@@H+](C)C[C@H](C)C#N ZINC000289228443 352176112 /nfs/dbraw/zinc/17/61/12/352176112.db2.gz YJFMVRFKDCQUTO-GFCCVEGCSA-N 2 2 231.343 2.414 20 30 BEEDLP Cc1cc[nH+]cc1CCC[N@H+](C)C[C@H](C)C#N ZINC000289228443 352176115 /nfs/dbraw/zinc/17/61/15/352176115.db2.gz YJFMVRFKDCQUTO-GFCCVEGCSA-N 2 2 231.343 2.414 20 30 BEEDLP CC(C)[NH2+]C1CC[NH+]([C@H](C)CCC#N)CC1 ZINC000411359160 191180098 /nfs/dbraw/zinc/18/00/98/191180098.db2.gz DEDDDPJCNSHJLM-GFCCVEGCSA-N 2 2 223.364 2.141 20 30 BEEDLP C[C@H]([NH2+]CCC#N)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411519131 191190990 /nfs/dbraw/zinc/19/09/90/191190990.db2.gz REPVMDJTWICKMB-QWHCGFSZSA-N 2 2 235.375 2.143 20 30 BEEDLP C[C@H]([NH2+]CCC#N)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000411519131 191190992 /nfs/dbraw/zinc/19/09/92/191190992.db2.gz REPVMDJTWICKMB-QWHCGFSZSA-N 2 2 235.375 2.143 20 30 BEEDLP N#C[C@H]1CC[C@H]([NH+]2CCC(c3c[nH]c[nH+]3)CC2)C1 ZINC000334264223 352897927 /nfs/dbraw/zinc/89/79/27/352897927.db2.gz KTFHCOKJOVTQSA-AAEUAGOBSA-N 2 2 244.342 2.281 20 30 BEEDLP N#C[C@H]1CC[C@@H]([NH+]2CCC(c3c[nH]c[nH+]3)CC2)C1 ZINC000334264229 352898801 /nfs/dbraw/zinc/89/88/01/352898801.db2.gz KTFHCOKJOVTQSA-WCQYABFASA-N 2 2 244.342 2.281 20 30 BEEDLP N#C[C@@H]1CC[C@H]([NH+]2CCC(c3c[nH]c[nH+]3)CC2)C1 ZINC000334264233 352898848 /nfs/dbraw/zinc/89/88/48/352898848.db2.gz KTFHCOKJOVTQSA-YPMHNXCESA-N 2 2 244.342 2.281 20 30 BEEDLP C=CCCC[C@H](C)[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000336751494 353060341 /nfs/dbraw/zinc/06/03/41/353060341.db2.gz GJSNIADKQZDSGP-FRRDWIJNSA-N 2 2 210.365 2.271 20 30 BEEDLP C=CCCC[C@H](C)[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000336751494 353060343 /nfs/dbraw/zinc/06/03/43/353060343.db2.gz GJSNIADKQZDSGP-FRRDWIJNSA-N 2 2 210.365 2.271 20 30 BEEDLP C=CCCC[C@H](C)[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000336751495 353060504 /nfs/dbraw/zinc/06/05/04/353060504.db2.gz GJSNIADKQZDSGP-RWMBFGLXSA-N 2 2 210.365 2.271 20 30 BEEDLP C=CCCC[C@H](C)[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000336751495 353060506 /nfs/dbraw/zinc/06/05/06/353060506.db2.gz GJSNIADKQZDSGP-RWMBFGLXSA-N 2 2 210.365 2.271 20 30 BEEDLP N#CCC[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000045944270 353285584 /nfs/dbraw/zinc/28/55/84/353285584.db2.gz XJIQLQFHOWFMMC-UHFFFAOYSA-N 2 2 249.402 2.488 20 30 BEEDLP CCC[NH+]1CCC([N@H+](C)CC2(C#N)CC2)CC1 ZINC000343308349 353553721 /nfs/dbraw/zinc/55/37/21/353553721.db2.gz ZPWMUSGWDNEFJH-UHFFFAOYSA-N 2 2 235.375 2.096 20 30 BEEDLP CCC[NH+]1CCC([N@@H+](C)CC2(C#N)CC2)CC1 ZINC000343308349 353553723 /nfs/dbraw/zinc/55/37/23/353553723.db2.gz ZPWMUSGWDNEFJH-UHFFFAOYSA-N 2 2 235.375 2.096 20 30 BEEDLP CC(C)[NH+]1CCC([N@H+](C)CC2(C#N)CC2)CC1 ZINC000343317431 353659381 /nfs/dbraw/zinc/65/93/81/353659381.db2.gz VHKVVRNURZZAAX-UHFFFAOYSA-N 2 2 235.375 2.095 20 30 BEEDLP CC(C)[NH+]1CCC([N@@H+](C)CC2(C#N)CC2)CC1 ZINC000343317431 353659384 /nfs/dbraw/zinc/65/93/84/353659384.db2.gz VHKVVRNURZZAAX-UHFFFAOYSA-N 2 2 235.375 2.095 20 30 BEEDLP C=CCC[C@H](CO)[NH2+]CCCc1c[nH+]ccc1C ZINC000449697030 202005339 /nfs/dbraw/zinc/00/53/39/202005339.db2.gz JRCCSBKXGWJCPE-OAHLLOKOSA-N 2 2 248.370 2.239 20 30 BEEDLP C=C(CC)C[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000449732939 202011293 /nfs/dbraw/zinc/01/12/93/202011293.db2.gz FNFBKPQPMAZHHH-WCQYABFASA-N 2 2 208.349 2.025 20 30 BEEDLP C=C(CC)C[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000449732939 202011296 /nfs/dbraw/zinc/01/12/96/202011296.db2.gz FNFBKPQPMAZHHH-WCQYABFASA-N 2 2 208.349 2.025 20 30 BEEDLP C=C(CC)C[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000449732938 202012214 /nfs/dbraw/zinc/01/22/14/202012214.db2.gz FNFBKPQPMAZHHH-DGCLKSJQSA-N 2 2 208.349 2.025 20 30 BEEDLP C=C(CC)C[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000449732938 202012215 /nfs/dbraw/zinc/01/22/15/202012215.db2.gz FNFBKPQPMAZHHH-DGCLKSJQSA-N 2 2 208.349 2.025 20 30 BEEDLP C[C@H]1CC[N@H+](CC2(C#N)CC2)C[C@@H]1n1cc[nH+]c1 ZINC000335896082 355690741 /nfs/dbraw/zinc/69/07/41/355690741.db2.gz IBYHKQSHTHDBRW-STQMWFEESA-N 2 2 244.342 2.070 20 30 BEEDLP C[C@H]1CC[N@@H+](CC2(C#N)CC2)C[C@@H]1n1cc[nH+]c1 ZINC000335896082 355690745 /nfs/dbraw/zinc/69/07/45/355690745.db2.gz IBYHKQSHTHDBRW-STQMWFEESA-N 2 2 244.342 2.070 20 30 BEEDLP CC(C)[NH+]1CCC([N@H+](C)CC2(C#N)CCC2)CC1 ZINC000450337683 202131712 /nfs/dbraw/zinc/13/17/12/202131712.db2.gz GYWCFEPCAVTBAH-UHFFFAOYSA-N 2 2 249.402 2.485 20 30 BEEDLP CC(C)[NH+]1CCC([N@@H+](C)CC2(C#N)CCC2)CC1 ZINC000450337683 202131713 /nfs/dbraw/zinc/13/17/13/202131713.db2.gz GYWCFEPCAVTBAH-UHFFFAOYSA-N 2 2 249.402 2.485 20 30 BEEDLP C=C(Cl)C[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000167736825 134153669 /nfs/dbraw/zinc/15/36/69/134153669.db2.gz PNWDLUAROHDIEY-NEPJUHHUSA-N 2 2 222.719 2.473 20 30 BEEDLP CC[NH+]1CCC([N@H+](C)CC2(C#N)CCC2)CC1 ZINC000450471877 202177791 /nfs/dbraw/zinc/17/77/91/202177791.db2.gz WRKYGBZHVKSXGV-UHFFFAOYSA-N 2 2 235.375 2.096 20 30 BEEDLP CC[NH+]1CCC([N@@H+](C)CC2(C#N)CCC2)CC1 ZINC000450471877 202177795 /nfs/dbraw/zinc/17/77/95/202177795.db2.gz WRKYGBZHVKSXGV-UHFFFAOYSA-N 2 2 235.375 2.096 20 30 BEEDLP CC#CC[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000120201647 134228573 /nfs/dbraw/zinc/22/85/73/134228573.db2.gz NZGHJFMFWZWVJK-MRXNPFEDSA-N 2 2 248.414 2.454 20 30 BEEDLP CC#CC[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000120201647 134228574 /nfs/dbraw/zinc/22/85/74/134228574.db2.gz NZGHJFMFWZWVJK-MRXNPFEDSA-N 2 2 248.414 2.454 20 30 BEEDLP CC[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H](C)C#N ZINC000300404767 134228589 /nfs/dbraw/zinc/22/85/89/134228589.db2.gz WHZHWKPDYDOELD-KGLIPLIRSA-N 2 2 237.391 2.342 20 30 BEEDLP CC[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H](C)C#N ZINC000300404767 134228590 /nfs/dbraw/zinc/22/85/90/134228590.db2.gz WHZHWKPDYDOELD-KGLIPLIRSA-N 2 2 237.391 2.342 20 30 BEEDLP CC[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@H](C)C#N ZINC000300404767 134228591 /nfs/dbraw/zinc/22/85/91/134228591.db2.gz WHZHWKPDYDOELD-KGLIPLIRSA-N 2 2 237.391 2.342 20 30 BEEDLP CC[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@H](C)C#N ZINC000300404767 134228592 /nfs/dbraw/zinc/22/85/92/134228592.db2.gz WHZHWKPDYDOELD-KGLIPLIRSA-N 2 2 237.391 2.342 20 30 BEEDLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cc2)CC[N@@H+]1C ZINC000090721037 363596011 /nfs/dbraw/zinc/59/60/11/363596011.db2.gz ARCWPPBLRJARFZ-WFASDCNBSA-N 2 2 243.354 2.131 20 30 BEEDLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cc2)CC[N@H+]1C ZINC000090721037 363596017 /nfs/dbraw/zinc/59/60/17/363596017.db2.gz ARCWPPBLRJARFZ-WFASDCNBSA-N 2 2 243.354 2.131 20 30 BEEDLP C[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@@H]1C)c1cccc(C#N)c1 ZINC000610830467 358210993 /nfs/dbraw/zinc/21/09/93/358210993.db2.gz WJJJFOFTIALAHA-SLEUVZQESA-N 2 2 243.354 2.159 20 30 BEEDLP C[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C)c1cccc(C#N)c1 ZINC000610830467 358210996 /nfs/dbraw/zinc/21/09/96/358210996.db2.gz WJJJFOFTIALAHA-SLEUVZQESA-N 2 2 243.354 2.159 20 30 BEEDLP C#CC[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000359932664 358708840 /nfs/dbraw/zinc/70/88/40/358708840.db2.gz CBGQGUDJMGNDBX-OAHLLOKOSA-N 2 2 234.387 2.208 20 30 BEEDLP C#CC[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000359932664 358708842 /nfs/dbraw/zinc/70/88/42/358708842.db2.gz CBGQGUDJMGNDBX-OAHLLOKOSA-N 2 2 234.387 2.208 20 30 BEEDLP N#CCCC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000247024417 359185246 /nfs/dbraw/zinc/18/52/46/359185246.db2.gz YCTWEEMYHMLKNT-UKRRQHHQSA-N 2 2 247.386 2.239 20 30 BEEDLP N#CCCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000247024417 359185250 /nfs/dbraw/zinc/18/52/50/359185250.db2.gz YCTWEEMYHMLKNT-UKRRQHHQSA-N 2 2 247.386 2.239 20 30 BEEDLP N#CCCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000247024417 359185254 /nfs/dbraw/zinc/18/52/54/359185254.db2.gz YCTWEEMYHMLKNT-UKRRQHHQSA-N 2 2 247.386 2.239 20 30 BEEDLP N#CCCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000247024417 359185257 /nfs/dbraw/zinc/18/52/57/359185257.db2.gz YCTWEEMYHMLKNT-UKRRQHHQSA-N 2 2 247.386 2.239 20 30 BEEDLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@](C)(C#N)C1 ZINC000612164445 359718675 /nfs/dbraw/zinc/71/86/75/359718675.db2.gz GFZDLJRJLAZFHO-ZIAGYGMSSA-N 2 2 235.375 2.096 20 30 BEEDLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@](C)(C#N)C1 ZINC000612164445 359718684 /nfs/dbraw/zinc/71/86/84/359718684.db2.gz GFZDLJRJLAZFHO-ZIAGYGMSSA-N 2 2 235.375 2.096 20 30 BEEDLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612164445 359718688 /nfs/dbraw/zinc/71/86/88/359718688.db2.gz GFZDLJRJLAZFHO-ZIAGYGMSSA-N 2 2 235.375 2.096 20 30 BEEDLP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612164445 359718695 /nfs/dbraw/zinc/71/86/95/359718695.db2.gz GFZDLJRJLAZFHO-ZIAGYGMSSA-N 2 2 235.375 2.096 20 30 BEEDLP C[N@H+](CCC[NH+]1CCCCC1)CC(C)(C)C#N ZINC000433301384 201179704 /nfs/dbraw/zinc/17/97/04/201179704.db2.gz FZMRTQFSQUCYJT-UHFFFAOYSA-N 2 2 237.391 2.344 20 30 BEEDLP C[N@@H+](CCC[NH+]1CCCCC1)CC(C)(C)C#N ZINC000433301384 201179708 /nfs/dbraw/zinc/17/97/08/201179708.db2.gz FZMRTQFSQUCYJT-UHFFFAOYSA-N 2 2 237.391 2.344 20 30 BEEDLP C=CCC[C@@H](C)[NH2+]C[C@@H](C)[N@H+](C)C1CC1 ZINC000134919419 364418786 /nfs/dbraw/zinc/41/87/86/364418786.db2.gz AVRWMOFWDPZVOB-VXGBXAGGSA-N 2 2 210.365 2.413 20 30 BEEDLP C=CCC[C@@H](C)[NH2+]C[C@@H](C)[N@@H+](C)C1CC1 ZINC000134919419 364418790 /nfs/dbraw/zinc/41/87/90/364418790.db2.gz AVRWMOFWDPZVOB-VXGBXAGGSA-N 2 2 210.365 2.413 20 30 BEEDLP C=CC[N@@H+](CCC[NH2+]C)Cc1cccs1 ZINC000336698167 365358992 /nfs/dbraw/zinc/35/89/92/365358992.db2.gz MRQPXMQTZLXHHG-UHFFFAOYSA-N 2 2 224.373 2.346 20 30 BEEDLP C=CC[N@H+](CCC[NH2+]C)Cc1cccs1 ZINC000336698167 365359000 /nfs/dbraw/zinc/35/90/00/365359000.db2.gz MRQPXMQTZLXHHG-UHFFFAOYSA-N 2 2 224.373 2.346 20 30 BEEDLP C[C@H]([NH2+]Cc1c[nH+]c[nH]1)c1ccc(C#N)cc1 ZINC000054764488 369094254 /nfs/dbraw/zinc/09/42/54/369094254.db2.gz ZYUXVBYXNQYUCN-JTQLQIEISA-N 2 2 226.283 2.132 20 30 BEEDLP C=CC[C@H](C)[C@H](C)[NH2+]CCc1cn(C)c[nH+]1 ZINC000459658913 203330772 /nfs/dbraw/zinc/33/07/72/203330772.db2.gz JLSQGOABSYDAID-RYUDHWBXSA-N 2 2 221.348 2.153 20 30 BEEDLP C[C@@H]1C[C@@H]([NH2+]CC2(C#N)CCCC2)CC[N@@H+]1C ZINC000405067974 369443458 /nfs/dbraw/zinc/44/34/58/369443458.db2.gz CBVZWVOIJJDXGI-OLZOCXBDSA-N 2 2 235.375 2.143 20 30 BEEDLP C[C@@H]1C[C@@H]([NH2+]CC2(C#N)CCCC2)CC[N@H+]1C ZINC000405067974 369443460 /nfs/dbraw/zinc/44/34/60/369443460.db2.gz CBVZWVOIJJDXGI-OLZOCXBDSA-N 2 2 235.375 2.143 20 30 BEEDLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000600712252 369561274 /nfs/dbraw/zinc/56/12/74/369561274.db2.gz WIMJGNWOVLBEFD-BYCMXARLSA-N 2 2 243.354 2.349 20 30 BEEDLP C[C@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1cccc(C#N)c1 ZINC000600711242 369561386 /nfs/dbraw/zinc/56/13/86/369561386.db2.gz RXGWUBMHHWPHRI-XUJVJEKNSA-N 2 2 243.354 2.349 20 30 BEEDLP N#Cc1ccc(C[N@H+]2CCCCC[C@H]([NH3+])C2)cc1 ZINC000601324446 369621197 /nfs/dbraw/zinc/62/11/97/369621197.db2.gz MEZZWJRRKXKAEY-HNNXBMFYSA-N 2 2 243.354 2.262 20 30 BEEDLP N#Cc1ccc(C[N@@H+]2CCCCC[C@H]([NH3+])C2)cc1 ZINC000601324446 369621201 /nfs/dbraw/zinc/62/12/01/369621201.db2.gz MEZZWJRRKXKAEY-HNNXBMFYSA-N 2 2 243.354 2.262 20 30 BEEDLP N#Cc1ccc(C[N@H+]2CCCCC[C@@H]([NH3+])C2)cc1 ZINC000601324447 369621299 /nfs/dbraw/zinc/62/12/99/369621299.db2.gz MEZZWJRRKXKAEY-OAHLLOKOSA-N 2 2 243.354 2.262 20 30 BEEDLP N#Cc1ccc(C[N@@H+]2CCCCC[C@@H]([NH3+])C2)cc1 ZINC000601324447 369621303 /nfs/dbraw/zinc/62/13/03/369621303.db2.gz MEZZWJRRKXKAEY-OAHLLOKOSA-N 2 2 243.354 2.262 20 30 BEEDLP C=CC[C@H]1CC[C@@H]([NH2+]C[C@@H]2CCC[N@H+]2C)C1 ZINC000623786732 371092880 /nfs/dbraw/zinc/09/28/80/371092880.db2.gz GLZYHAFVFDHVOC-MJBXVCDLSA-N 2 2 222.376 2.415 20 30 BEEDLP C=CC[C@H]1CC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+]2C)C1 ZINC000623786732 371092884 /nfs/dbraw/zinc/09/28/84/371092884.db2.gz GLZYHAFVFDHVOC-MJBXVCDLSA-N 2 2 222.376 2.415 20 30 BEEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cc(C)no2)CC1 ZINC000631064144 371243678 /nfs/dbraw/zinc/24/36/78/371243678.db2.gz IYKUUSHKFDUAOF-UHFFFAOYSA-N 2 2 249.358 2.113 20 30 BEEDLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C#N)s2)CC[N@@H+]1C ZINC000135693670 384283442 /nfs/dbraw/zinc/28/34/42/384283442.db2.gz DDOXLMLHTGCNHL-GHMZBOCLSA-N 2 2 249.383 2.192 20 30 BEEDLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C#N)s2)CC[N@H+]1C ZINC000135693670 384283449 /nfs/dbraw/zinc/28/34/49/384283449.db2.gz DDOXLMLHTGCNHL-GHMZBOCLSA-N 2 2 249.383 2.192 20 30 BEEDLP C[C@@H](C[NH2+]CC(C)(C)CCC#N)[N@H+](C)C1CC1 ZINC000174357216 384323482 /nfs/dbraw/zinc/32/34/82/384323482.db2.gz MMVFJRUJQIKCRN-LBPRGKRZSA-N 2 2 237.391 2.389 20 30 BEEDLP C[C@@H](C[NH2+]CC(C)(C)CCC#N)[N@@H+](C)C1CC1 ZINC000174357216 384323483 /nfs/dbraw/zinc/32/34/83/384323483.db2.gz MMVFJRUJQIKCRN-LBPRGKRZSA-N 2 2 237.391 2.389 20 30 BEEDLP C=CCCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000308832355 384332775 /nfs/dbraw/zinc/33/27/75/384332775.db2.gz USTUYIQMWHWQFC-VXGBXAGGSA-N 2 2 208.349 2.167 20 30 BEEDLP C=CCCC[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000308832355 384332779 /nfs/dbraw/zinc/33/27/79/384332779.db2.gz USTUYIQMWHWQFC-VXGBXAGGSA-N 2 2 208.349 2.167 20 30 BEEDLP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)C[N@@H+]1C1CC1 ZINC000449446921 384555324 /nfs/dbraw/zinc/55/53/24/384555324.db2.gz UOFWOPYYIMBRGI-ZOBORPQBSA-N 2 2 247.386 2.284 20 30 BEEDLP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)C[N@H+]1C1CC1 ZINC000449446921 384555331 /nfs/dbraw/zinc/55/53/31/384555331.db2.gz UOFWOPYYIMBRGI-ZOBORPQBSA-N 2 2 247.386 2.284 20 30 BEEDLP C=CC[NH+]1CCC([NH2+][C@@H]2C[C@H](C)[C@@H]2C)CC1 ZINC000309745065 384577965 /nfs/dbraw/zinc/57/79/65/384577965.db2.gz FIVUQQZOHRXRIK-SGMGOOAPSA-N 2 2 222.376 2.271 20 30 BEEDLP C=CC[C@H](CC)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000309440431 385582937 /nfs/dbraw/zinc/58/29/37/385582937.db2.gz IIGUNXVODTUXJA-OBJOEFQTSA-N 2 2 222.376 2.413 20 30 BEEDLP C=CC[C@H](CC)[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000309440431 385582940 /nfs/dbraw/zinc/58/29/40/385582940.db2.gz IIGUNXVODTUXJA-OBJOEFQTSA-N 2 2 222.376 2.413 20 30 BEEDLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+][C@H]2CC[C@H](C#N)C2)C1 ZINC000595056145 385618527 /nfs/dbraw/zinc/61/85/27/385618527.db2.gz BKBQOAZYOHMYRH-AVGNSLFASA-N 2 2 235.375 2.141 20 30 BEEDLP CC(C)(C)[N@H+]1CC[C@H]([NH2+][C@H]2CC[C@H](C#N)C2)C1 ZINC000595056145 385618533 /nfs/dbraw/zinc/61/85/33/385618533.db2.gz BKBQOAZYOHMYRH-AVGNSLFASA-N 2 2 235.375 2.141 20 30 BEEDLP C=CCOc1cccc(C[NH2+][C@@H]2CCC[NH2+]C2)c1 ZINC000414862290 385750416 /nfs/dbraw/zinc/75/04/16/385750416.db2.gz HJGVITAOWSFAMW-CQSZACIVSA-N 2 2 246.354 2.093 20 30 BEEDLP C=CCOc1cccc(C[NH2+]C[C@@H](C)[NH2+]CC)c1 ZINC000414949729 385815158 /nfs/dbraw/zinc/81/51/58/385815158.db2.gz FLSTUWQZAPJDAA-CYBMUJFWSA-N 2 2 248.370 2.339 20 30 BEEDLP C=CCC[C@@H]([NH2+]CCc1cn(C)c[nH+]1)C1CC1 ZINC000414126393 385975538 /nfs/dbraw/zinc/97/55/38/385975538.db2.gz ONNZKEBZYGTYFU-CQSZACIVSA-N 2 2 233.359 2.297 20 30 BEEDLP C=CCOc1cccc(C[N@@H+](C)[C@H](C)C[NH3+])c1 ZINC000347051790 386207080 /nfs/dbraw/zinc/20/70/80/386207080.db2.gz REZJWNUOBGVUEM-GFCCVEGCSA-N 2 2 234.343 2.030 20 30 BEEDLP C=CCOc1cccc(C[N@H+](C)[C@H](C)C[NH3+])c1 ZINC000347051790 386207086 /nfs/dbraw/zinc/20/70/86/386207086.db2.gz REZJWNUOBGVUEM-GFCCVEGCSA-N 2 2 234.343 2.030 20 30 BEEDLP C=CCOc1ccccc1C[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000414843017 386757922 /nfs/dbraw/zinc/75/79/22/386757922.db2.gz JDEDTSQTPXXNPF-AWEZNQCLSA-N 2 2 246.354 2.093 20 30 BEEDLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CC(C)(C)CCC#N ZINC000344898427 386795586 /nfs/dbraw/zinc/79/55/86/386795586.db2.gz RFZBZLXGLRWMPN-GXTWGEPZSA-N 2 2 249.402 2.389 20 30 BEEDLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CC(C)(C)CCC#N ZINC000344898427 386795592 /nfs/dbraw/zinc/79/55/92/386795592.db2.gz RFZBZLXGLRWMPN-GXTWGEPZSA-N 2 2 249.402 2.389 20 30 BEEDLP CC1(C)CCC[N@H+](CC[NH2+][C@@H]2CC[C@@H](C#N)C2)C1 ZINC000442862976 386800651 /nfs/dbraw/zinc/80/06/51/386800651.db2.gz WJCGVFICGAPVRT-ZIAGYGMSSA-N 2 2 249.402 2.390 20 30 BEEDLP CC1(C)CCC[N@@H+](CC[NH2+][C@@H]2CC[C@@H](C#N)C2)C1 ZINC000442862976 386800656 /nfs/dbraw/zinc/80/06/56/386800656.db2.gz WJCGVFICGAPVRT-ZIAGYGMSSA-N 2 2 249.402 2.390 20 30 BEEDLP CC1(C)CCC[N@H+](CC[NH2+][C@H]2CC[C@H](C#N)C2)C1 ZINC000442862970 386800893 /nfs/dbraw/zinc/80/08/93/386800893.db2.gz WJCGVFICGAPVRT-KBPBESRZSA-N 2 2 249.402 2.390 20 30 BEEDLP CC1(C)CCC[N@@H+](CC[NH2+][C@H]2CC[C@H](C#N)C2)C1 ZINC000442862970 386800897 /nfs/dbraw/zinc/80/08/97/386800897.db2.gz WJCGVFICGAPVRT-KBPBESRZSA-N 2 2 249.402 2.390 20 30 BEEDLP C=CCC[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccco1 ZINC000423433715 387284113 /nfs/dbraw/zinc/28/41/13/387284113.db2.gz NKNOKYLXBTYJQN-KZVDOYCCSA-N 2 2 232.327 2.094 20 30 BEEDLP C=C(Cl)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000267499406 387410679 /nfs/dbraw/zinc/41/06/79/387410679.db2.gz SCXGGXRJJFTMSZ-UHFFFAOYSA-N 2 2 225.723 2.342 20 30 BEEDLP C=CCC[C@H]([NH2+]C[C@H](C)[NH3+])c1ccco1 ZINC000643527212 387762259 /nfs/dbraw/zinc/76/22/59/387762259.db2.gz KSKDMQJOWCNTMR-QWRGUYRKSA-N 2 2 208.305 2.224 20 30 BEEDLP C[C@H](C[NH2+][C@H]1CC[C@@H](C#N)C1)[NH+]1CCC(C)CC1 ZINC000442792710 387841295 /nfs/dbraw/zinc/84/12/95/387841295.db2.gz MWRPIHHACDPLBI-KFWWJZLASA-N 2 2 249.402 2.389 20 30 BEEDLP N#C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000442792508 387842099 /nfs/dbraw/zinc/84/20/99/387842099.db2.gz QHKAHXLGCAIREW-RDBSUJKOSA-N 2 2 247.386 2.285 20 30 BEEDLP N#C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000442792508 387842111 /nfs/dbraw/zinc/84/21/11/387842111.db2.gz QHKAHXLGCAIREW-RDBSUJKOSA-N 2 2 247.386 2.285 20 30 BEEDLP CC1(C#N)CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000444609559 387890407 /nfs/dbraw/zinc/89/04/07/387890407.db2.gz NMSRNTRHGNARHG-UHFFFAOYSA-N 2 2 249.402 2.488 20 30 BEEDLP C[C@H]([NH2+]CC(C)(C)CC#N)[C@H]1CCCC[NH2+]1 ZINC000423166075 387950912 /nfs/dbraw/zinc/95/09/12/387950912.db2.gz CEBHQVJXCBJVDA-NWDGAFQWSA-N 2 2 223.364 2.046 20 30 BEEDLP CC[N@H+](C)CC[NH2+]C1CCC(C)(C#N)CC1 ZINC000449107200 388143397 /nfs/dbraw/zinc/14/33/97/388143397.db2.gz LNZGHPHWLMGANL-UHFFFAOYSA-N 2 2 223.364 2.000 20 30 BEEDLP CC[N@@H+](C)CC[NH2+]C1CCC(C)(C#N)CC1 ZINC000449107200 388143399 /nfs/dbraw/zinc/14/33/99/388143399.db2.gz LNZGHPHWLMGANL-UHFFFAOYSA-N 2 2 223.364 2.000 20 30 BEEDLP C[C@@H]1CC[N@H+](CC[NH2+]CC(C)(C)CCC#N)C1 ZINC000524771337 388408904 /nfs/dbraw/zinc/40/89/04/388408904.db2.gz FRLVFQIRMXIQRS-CYBMUJFWSA-N 2 2 237.391 2.248 20 30 BEEDLP C[C@@H]1CC[N@@H+](CC[NH2+]CC(C)(C)CCC#N)C1 ZINC000524771337 388408907 /nfs/dbraw/zinc/40/89/07/388408907.db2.gz FRLVFQIRMXIQRS-CYBMUJFWSA-N 2 2 237.391 2.248 20 30 BEEDLP C=CC[NH+]1CCC([NH2+]C(C2CC2)C2CC2)CC1 ZINC000177906202 388523695 /nfs/dbraw/zinc/52/36/95/388523695.db2.gz NSKUNUHHKARMDK-UHFFFAOYSA-N 2 2 234.387 2.415 20 30 BEEDLP N#CC1(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCCC1 ZINC000405104013 388637501 /nfs/dbraw/zinc/63/75/01/388637501.db2.gz FUZBSSIELNJNAK-KGLIPLIRSA-N 2 2 247.386 2.287 20 30 BEEDLP N#CC1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CCCC1 ZINC000405104013 388637503 /nfs/dbraw/zinc/63/75/03/388637503.db2.gz FUZBSSIELNJNAK-KGLIPLIRSA-N 2 2 247.386 2.287 20 30 BEEDLP CC(C)[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000423272209 388689123 /nfs/dbraw/zinc/68/91/23/388689123.db2.gz JPYSHYKLPZSZSV-IINYFYTJSA-N 2 2 249.333 2.331 20 30 BEEDLP C[C@H]([NH2+][C@H]1C[NH2+]CC[C@H]1C)c1cccc(C#N)c1 ZINC000423358310 388690795 /nfs/dbraw/zinc/69/07/95/388690795.db2.gz JICDPUIJRGUCNU-XUJVJEKNSA-N 2 2 243.354 2.207 20 30 BEEDLP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000423453510 388692331 /nfs/dbraw/zinc/69/23/31/388692331.db2.gz XTDZLZOBXXXNOI-GUBZILKMSA-N 2 2 235.306 2.084 20 30 BEEDLP C#C[C@H](CC)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000229885803 388803949 /nfs/dbraw/zinc/80/39/49/388803949.db2.gz HTTBOXCNTLOQIY-CYBMUJFWSA-N 2 2 243.354 2.052 20 30 BEEDLP N#C[C@H]1CC[C@@H]([NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000331484981 134000437 /nfs/dbraw/zinc/00/04/37/134000437.db2.gz AHFJQVPVFMCKHT-DRABBMOASA-N 2 2 241.338 2.413 20 30 BEEDLP N#CCCCC[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000378059697 134245449 /nfs/dbraw/zinc/24/54/49/134245449.db2.gz ODDFASJWXRBONS-UHFFFAOYSA-N 2 2 232.331 2.283 20 30 BEEDLP C[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H](C#N)C2)C[N@@H+]1C1CC1 ZINC000185859218 134398110 /nfs/dbraw/zinc/39/81/10/134398110.db2.gz QNGSKWVUNKUJDI-IGQOVBAYSA-N 2 2 247.386 2.284 20 30 BEEDLP C[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H](C#N)C2)C[N@H+]1C1CC1 ZINC000185859218 134398111 /nfs/dbraw/zinc/39/81/11/134398111.db2.gz QNGSKWVUNKUJDI-IGQOVBAYSA-N 2 2 247.386 2.284 20 30 BEEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CC[C@@H]2CC)CC1 ZINC000309703001 134599052 /nfs/dbraw/zinc/59/90/52/134599052.db2.gz NIEHOVQSWWEWJA-GXTWGEPZSA-N 2 2 222.376 2.415 20 30 BEEDLP CC#CCC[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000248388831 135001282 /nfs/dbraw/zinc/00/12/82/135001282.db2.gz FRNQOAVERWHGFC-KBPBESRZSA-N 2 2 231.343 2.179 20 30 BEEDLP CC#CCC[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000248388831 135001284 /nfs/dbraw/zinc/00/12/84/135001284.db2.gz FRNQOAVERWHGFC-KBPBESRZSA-N 2 2 231.343 2.179 20 30 BEEDLP C=CC[NH+]1CCC([NH2+][C@H](C)COC(C)C)CC1 ZINC000337346692 135013181 /nfs/dbraw/zinc/01/31/81/135013181.db2.gz WQKMIKSCCXMYLY-CYBMUJFWSA-N 2 2 240.391 2.040 20 30 BEEDLP CC[N@@H+]1CCC[C@H]1C[NH2+]CC(C)(C)CCC#N ZINC000112683273 135026615 /nfs/dbraw/zinc/02/66/15/135026615.db2.gz FKQUPWDBDFKGLK-ZDUSSCGKSA-N 2 2 237.391 2.390 20 30 BEEDLP CC[N@H+]1CCC[C@H]1C[NH2+]CC(C)(C)CCC#N ZINC000112683273 135026618 /nfs/dbraw/zinc/02/66/18/135026618.db2.gz FKQUPWDBDFKGLK-ZDUSSCGKSA-N 2 2 237.391 2.390 20 30 BEEDLP Cn1c[nH+]cc1CC[N@H+](CCC#N)CC(C)(C)C ZINC000297789456 135197130 /nfs/dbraw/zinc/19/71/30/135197130.db2.gz NBWXUTSRODJTMR-UHFFFAOYSA-N 2 2 248.374 2.224 20 30 BEEDLP Cn1c[nH+]cc1CC[N@@H+](CCC#N)CC(C)(C)C ZINC000297789456 135197132 /nfs/dbraw/zinc/19/71/32/135197132.db2.gz NBWXUTSRODJTMR-UHFFFAOYSA-N 2 2 248.374 2.224 20 30 BEEDLP C=CCC[N@@H+](C)Cc1ncc(C[NH+](C)C)s1 ZINC000348407345 136076949 /nfs/dbraw/zinc/07/69/49/136076949.db2.gz LHZJTOYYHPOFJV-UHFFFAOYSA-N 2 2 239.388 2.213 20 30 BEEDLP C=CCC[N@H+](C)Cc1ncc(C[NH+](C)C)s1 ZINC000348407345 136076950 /nfs/dbraw/zinc/07/69/50/136076950.db2.gz LHZJTOYYHPOFJV-UHFFFAOYSA-N 2 2 239.388 2.213 20 30 BEEDLP C=C[C@@H](C)[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000309104286 397849078 /nfs/dbraw/zinc/84/90/78/397849078.db2.gz HDMRAIVNAFFXPA-LLVKDONJSA-N 2 2 204.317 2.487 20 30 BEEDLP C#C[C@@H](C)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000491407377 398040432 /nfs/dbraw/zinc/04/04/32/398040432.db2.gz RBPHWOICCSIOPH-CYBMUJFWSA-N 2 2 239.322 2.326 20 30 BEEDLP C#C[C@@H](C)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000491407377 398040438 /nfs/dbraw/zinc/04/04/38/398040438.db2.gz RBPHWOICCSIOPH-CYBMUJFWSA-N 2 2 239.322 2.326 20 30 BEEDLP C=CCC[N@@H+](C)Cc1cccc2[nH+]ccn21 ZINC000276131274 166259048 /nfs/dbraw/zinc/25/90/48/166259048.db2.gz LTMLSVRVGHTRME-UHFFFAOYSA-N 2 2 215.300 2.342 20 30 BEEDLP C=CCC[N@H+](C)Cc1cccc2[nH+]ccn21 ZINC000276131274 166259051 /nfs/dbraw/zinc/25/90/51/166259051.db2.gz LTMLSVRVGHTRME-UHFFFAOYSA-N 2 2 215.300 2.342 20 30 BEEDLP C=CCC[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000276406044 166259951 /nfs/dbraw/zinc/25/99/51/166259951.db2.gz LBPKUOJCVPBKOS-UHFFFAOYSA-N 2 2 242.326 2.275 20 30 BEEDLP C=CCC[N@H+](C)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000276406044 166259952 /nfs/dbraw/zinc/25/99/52/166259952.db2.gz LBPKUOJCVPBKOS-UHFFFAOYSA-N 2 2 242.326 2.275 20 30 BEEDLP C=CC[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000278589910 166352822 /nfs/dbraw/zinc/35/28/22/166352822.db2.gz KZKWQXWARPHKIN-UHFFFAOYSA-N 2 2 232.327 2.419 20 30 BEEDLP C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[N@@H+](C)C2)C1 ZINC000651685027 411136129 /nfs/dbraw/zinc/13/61/29/411136129.db2.gz GRCIVNBIXRHKAX-HZSPNIEDSA-N 2 2 222.376 2.415 20 30 BEEDLP C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[N@H+](C)C2)C1 ZINC000651685027 411136131 /nfs/dbraw/zinc/13/61/31/411136131.db2.gz GRCIVNBIXRHKAX-HZSPNIEDSA-N 2 2 222.376 2.415 20 30 BEEDLP C=CC[C@@H]1CC[C@H]([NH2+]C[C@H](C)[NH+](C)C)C1 ZINC000651752093 411141607 /nfs/dbraw/zinc/14/16/07/411141607.db2.gz UMKSHBCKCIXKEM-XQQFMLRXSA-N 2 2 210.365 2.271 20 30 BEEDLP C=CC[C@H]1CC[C@H]([NH2+]C[C@H](C)[NH+](C)C)C1 ZINC000651823058 411146062 /nfs/dbraw/zinc/14/60/62/411146062.db2.gz UMKSHBCKCIXKEM-AVGNSLFASA-N 2 2 210.365 2.271 20 30 BEEDLP C=CC[C@H]1CC[C@@H]([NH2+]C[C@H](C)[NH+](C)C)C1 ZINC000651823059 411146083 /nfs/dbraw/zinc/14/60/83/411146083.db2.gz UMKSHBCKCIXKEM-RWMBFGLXSA-N 2 2 210.365 2.271 20 30 BEEDLP C[C@H](C[NH2+][C@H]1CCC[C@H](C#N)C1)[N@H+](C)C1CC1 ZINC000192833172 411261581 /nfs/dbraw/zinc/26/15/81/411261581.db2.gz MTOPLRIAHWVTOQ-AGIUHOORSA-N 2 2 235.375 2.141 20 30 BEEDLP C[C@H](C[NH2+][C@H]1CCC[C@H](C#N)C1)[N@@H+](C)C1CC1 ZINC000192833172 411261586 /nfs/dbraw/zinc/26/15/86/411261586.db2.gz MTOPLRIAHWVTOQ-AGIUHOORSA-N 2 2 235.375 2.141 20 30 BEEDLP C[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2)[C@@H]1C[NH3+] ZINC000070175446 177099123 /nfs/dbraw/zinc/09/91/23/177099123.db2.gz WXOJJJZGDYXRQW-SWLSCSKDSA-N 2 2 243.354 2.117 20 30 BEEDLP C[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)[C@@H]1C[NH3+] ZINC000070175446 177099124 /nfs/dbraw/zinc/09/91/24/177099124.db2.gz WXOJJJZGDYXRQW-SWLSCSKDSA-N 2 2 243.354 2.117 20 30 BEEDLP C[C@H](C#N)C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000541764267 324979069 /nfs/dbraw/zinc/97/90/69/324979069.db2.gz YMQWPMJJZHKHRO-SNVBAGLBSA-N 2 2 246.339 2.183 20 30 BEEDLP CCC#C[C@H](C)[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000680073406 487533011 /nfs/dbraw/zinc/53/30/11/487533011.db2.gz CVEVRIXXKKNHGT-AWEZNQCLSA-N 2 2 234.387 2.349 20 30 BEEDLP CCC#C[C@H](C)[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000680073406 487533015 /nfs/dbraw/zinc/53/30/15/487533015.db2.gz CVEVRIXXKKNHGT-AWEZNQCLSA-N 2 2 234.387 2.349 20 30 BEEDLP CC(C)(CCC#N)C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000494424809 527000355 /nfs/dbraw/zinc/00/03/55/527000355.db2.gz JIAUTIQIROAIDQ-GFCCVEGCSA-N 2 2 246.358 2.117 20 30 BEEDLP C=C(Cl)C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000858140378 588935103 /nfs/dbraw/zinc/93/51/03/588935103.db2.gz CENHZNSUFHXJJE-JTQLQIEISA-N 2 2 216.756 2.201 20 30 BEEDLP C=C(Cl)C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000858140378 588935104 /nfs/dbraw/zinc/93/51/04/588935104.db2.gz CENHZNSUFHXJJE-JTQLQIEISA-N 2 2 216.756 2.201 20 30 BEEDLP CC1(C)CC[N@H+](CC[NH2+]C2CCC(C#N)CC2)C1 ZINC000898034859 584079178 /nfs/dbraw/zinc/07/91/78/584079178.db2.gz ZESUEAJKZAODRP-UHFFFAOYSA-N 2 2 249.402 2.390 20 30 BEEDLP CC1(C)CC[N@@H+](CC[NH2+]C2CCC(C#N)CC2)C1 ZINC000898034859 584079180 /nfs/dbraw/zinc/07/91/80/584079180.db2.gz ZESUEAJKZAODRP-UHFFFAOYSA-N 2 2 249.402 2.390 20 30 BEEDLP C=CC[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000903301305 584744870 /nfs/dbraw/zinc/74/48/70/584744870.db2.gz QCIZJDQDKPMWEQ-MQYQWHSLSA-N 2 2 222.376 2.413 20 30 BEEDLP C=CC[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000903301305 584744872 /nfs/dbraw/zinc/74/48/72/584744872.db2.gz QCIZJDQDKPMWEQ-MQYQWHSLSA-N 2 2 222.376 2.413 20 30 BEEDLP C=CC[C@H](C)[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@@H]1C ZINC000903302058 584745176 /nfs/dbraw/zinc/74/51/76/584745176.db2.gz YFBJIZHPRFJJKC-RVMXOQNASA-N 2 2 210.365 2.269 20 30 BEEDLP C=CC[C@H](C)[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@@H]1C ZINC000903302058 584745178 /nfs/dbraw/zinc/74/51/78/584745178.db2.gz YFBJIZHPRFJJKC-RVMXOQNASA-N 2 2 210.365 2.269 20 30 BEEDLP CCC[N@H+](CC1CCC(C#N)CC1)[C@H]1CC[NH2+]C1 ZINC000903423046 584764692 /nfs/dbraw/zinc/76/46/92/584764692.db2.gz OLDYSUGYVBJXNM-NRXISQOPSA-N 2 2 249.402 2.390 20 30 BEEDLP CCC[N@@H+](CC1CCC(C#N)CC1)[C@H]1CC[NH2+]C1 ZINC000903423046 584764694 /nfs/dbraw/zinc/76/46/94/584764694.db2.gz OLDYSUGYVBJXNM-NRXISQOPSA-N 2 2 249.402 2.390 20 30 BEEDLP Cc1cc(C#N)cc(C)c1C[N@H+]1C[C@@H]([NH3+])C[C@H]1C ZINC000903477024 584777214 /nfs/dbraw/zinc/77/72/14/584777214.db2.gz RBXRWHFTKVNMSZ-OCCSQVGLSA-N 2 2 243.354 2.097 20 30 BEEDLP Cc1cc(C#N)cc(C)c1C[N@@H+]1C[C@@H]([NH3+])C[C@H]1C ZINC000903477024 584777216 /nfs/dbraw/zinc/77/72/16/584777216.db2.gz RBXRWHFTKVNMSZ-OCCSQVGLSA-N 2 2 243.354 2.097 20 30 BEEDLP Cc1cc(C#N)cc(C)c1C[N@H+]1C[C@@H]([NH3+])C[C@@H]1C ZINC000903477023 584777457 /nfs/dbraw/zinc/77/74/57/584777457.db2.gz RBXRWHFTKVNMSZ-JSGCOSHPSA-N 2 2 243.354 2.097 20 30 BEEDLP Cc1cc(C#N)cc(C)c1C[N@@H+]1C[C@@H]([NH3+])C[C@@H]1C ZINC000903477023 584777458 /nfs/dbraw/zinc/77/74/58/584777458.db2.gz RBXRWHFTKVNMSZ-JSGCOSHPSA-N 2 2 243.354 2.097 20 30 BEEDLP C[N@H+](CCC[NH2+]C1CC1)Cc1cc(C#N)cs1 ZINC000903826536 584804856 /nfs/dbraw/zinc/80/48/56/584804856.db2.gz LMEWAYSSFYZCGP-UHFFFAOYSA-N 2 2 249.383 2.194 20 30 BEEDLP C[N@@H+](CCC[NH2+]C1CC1)Cc1cc(C#N)cs1 ZINC000903826536 584804857 /nfs/dbraw/zinc/80/48/57/584804857.db2.gz LMEWAYSSFYZCGP-UHFFFAOYSA-N 2 2 249.383 2.194 20 30 BEEDLP C=C[C@@H]1CCCC[N@H+]1C[C@@H]([NH3+])CC(F)F ZINC000903914747 584818721 /nfs/dbraw/zinc/81/87/21/584818721.db2.gz VUADETKZIDTJCT-VHSXEESVSA-N 2 2 218.291 2.009 20 30 BEEDLP C=C[C@@H]1CCCC[N@@H+]1C[C@@H]([NH3+])CC(F)F ZINC000903914747 584818723 /nfs/dbraw/zinc/81/87/23/584818723.db2.gz VUADETKZIDTJCT-VHSXEESVSA-N 2 2 218.291 2.009 20 30 BEEDLP C#CCCC[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000770028684 585569658 /nfs/dbraw/zinc/56/96/58/585569658.db2.gz MMPLNHREOXOCRT-ZDUSSCGKSA-N 2 2 231.343 2.013 20 30 BEEDLP C#CCCC[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000770028684 585569659 /nfs/dbraw/zinc/56/96/59/585569659.db2.gz MMPLNHREOXOCRT-ZDUSSCGKSA-N 2 2 231.343 2.013 20 30 BEEDLP C#CC[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@H]1C)c1ccccc1 ZINC000773108397 585631337 /nfs/dbraw/zinc/63/13/37/585631337.db2.gz XQBBIIJGFULZTK-VNQPRFMTSA-N 2 2 242.366 2.291 20 30 BEEDLP C#CC[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@H]1C)c1ccccc1 ZINC000773108397 585631338 /nfs/dbraw/zinc/63/13/38/585631338.db2.gz XQBBIIJGFULZTK-VNQPRFMTSA-N 2 2 242.366 2.291 20 30 BEEDLP CN(C)c1cc[nH+]cc1C=[NH+]NC1CCCC1 ZINC000776180689 585691695 /nfs/dbraw/zinc/69/16/95/585691695.db2.gz OXTALTLPWYZWDT-UHFFFAOYSA-N 2 2 232.331 2.014 20 30 BEEDLP CC(C)CO[NH+]=Cc1c[nH+]ccc1N(C)C ZINC000776188080 585692441 /nfs/dbraw/zinc/69/24/41/585692441.db2.gz VMZJGGXHTDSSRV-UHFFFAOYSA-N 2 2 221.304 2.154 20 30 BEEDLP CN(C)c1cc[nH+]cc1C=[NH+]NCC1CCCC1 ZINC000808005410 586458573 /nfs/dbraw/zinc/45/85/73/586458573.db2.gz FBEHCQZBUNRFEU-UHFFFAOYSA-N 2 2 246.358 2.261 20 30 BEEDLP C#C[C@H](C)[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000809683301 586511434 /nfs/dbraw/zinc/51/14/34/586511434.db2.gz YHMPGTMIULUFOR-JTQLQIEISA-N 2 2 248.292 2.015 20 30 BEEDLP C=CCOc1ccc(C[N@@H+](C)C[C@@H](C)[NH3+])cc1 ZINC000843356724 588103958 /nfs/dbraw/zinc/10/39/58/588103958.db2.gz XGMGHRURKBDYGP-GFCCVEGCSA-N 2 2 234.343 2.030 20 30 BEEDLP C=CCOc1ccc(C[N@H+](C)C[C@@H](C)[NH3+])cc1 ZINC000843356724 588103959 /nfs/dbraw/zinc/10/39/59/588103959.db2.gz XGMGHRURKBDYGP-GFCCVEGCSA-N 2 2 234.343 2.030 20 30 BEEDLP CC[N@@H+]1CC[C@@H]([NH2+]CC2(C#N)CCCC2)[C@H](C)C1 ZINC000846011775 588253412 /nfs/dbraw/zinc/25/34/12/588253412.db2.gz ZBMNSWXDQFJBBN-ZIAGYGMSSA-N 2 2 249.402 2.390 20 30 BEEDLP CC[N@H+]1CC[C@@H]([NH2+]CC2(C#N)CCCC2)[C@H](C)C1 ZINC000846011775 588253413 /nfs/dbraw/zinc/25/34/13/588253413.db2.gz ZBMNSWXDQFJBBN-ZIAGYGMSSA-N 2 2 249.402 2.390 20 30 BEEDLP C#C[C@H]1CC[C@H]([NH2+][C@H]2C[N@H+](C3CC3)C[C@@H]2C)CC1 ZINC000872140253 589880952 /nfs/dbraw/zinc/88/09/52/589880952.db2.gz HIEZBQSRWKWRJU-YXWQFLTLSA-N 2 2 246.398 2.251 20 30 BEEDLP C#C[C@H]1CC[C@H]([NH2+][C@H]2C[N@@H+](C3CC3)C[C@@H]2C)CC1 ZINC000872140253 589880953 /nfs/dbraw/zinc/88/09/53/589880953.db2.gz HIEZBQSRWKWRJU-YXWQFLTLSA-N 2 2 246.398 2.251 20 30 BEEDLP Cc1cc[nH+]c(N)c1C=[NH+]OC1CCCC1 ZINC000872362056 589919171 /nfs/dbraw/zinc/91/91/71/589919171.db2.gz BXVQVDDQYRBOMY-UHFFFAOYSA-N 2 2 219.288 2.265 20 30 BEEDLP C[C@H](C[NH2+]C[C@@H](C)CCC#N)[NH+]1CCCCC1 ZINC000876956597 590260970 /nfs/dbraw/zinc/26/09/70/590260970.db2.gz LPFYTJXRSHTTBZ-UONOGXRCSA-N 2 2 237.391 2.390 20 30 BEEDLP C#CCCCCCC[NH2+]CC[N@@H+](C)C(C)C ZINC000876995862 590266660 /nfs/dbraw/zinc/26/66/60/590266660.db2.gz KYWUAEPIGMTLSL-UHFFFAOYSA-N 2 2 224.392 2.500 20 30 BEEDLP C#CCCCCCC[NH2+]CC[N@H+](C)C(C)C ZINC000876995862 590266662 /nfs/dbraw/zinc/26/66/62/590266662.db2.gz KYWUAEPIGMTLSL-UHFFFAOYSA-N 2 2 224.392 2.500 20 30 BEEDLP C#C[C@@H](C)[N@H+](C)Cc1c(C)cc(C)[nH+]c1C ZINC000878517408 590585520 /nfs/dbraw/zinc/58/55/20/590585520.db2.gz RNRBYLTWYJLONM-GFCCVEGCSA-N 2 2 216.328 2.460 20 30 BEEDLP C#C[C@@H](C)[N@@H+](C)Cc1c(C)cc(C)[nH+]c1C ZINC000878517408 590585522 /nfs/dbraw/zinc/58/55/22/590585522.db2.gz RNRBYLTWYJLONM-GFCCVEGCSA-N 2 2 216.328 2.460 20 30 BEEDLP C=CC[C@@H](C)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000878527716 590586886 /nfs/dbraw/zinc/58/68/86/590586886.db2.gz FXFRBOXNSZZPHZ-TZMCWYRMSA-N 2 2 232.327 2.499 20 30 BEEDLP C=CC[C@@H](C)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000878527716 590586887 /nfs/dbraw/zinc/58/68/87/590586887.db2.gz FXFRBOXNSZZPHZ-TZMCWYRMSA-N 2 2 232.327 2.499 20 30 BEEDLP C=C(CC)C[N@@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC000880136439 590938257 /nfs/dbraw/zinc/93/82/57/590938257.db2.gz LVOUMQPOHMOFCD-STQMWFEESA-N 2 2 208.349 2.121 20 30 BEEDLP C=C(CC)C[N@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC000880136439 590938260 /nfs/dbraw/zinc/93/82/60/590938260.db2.gz LVOUMQPOHMOFCD-STQMWFEESA-N 2 2 208.349 2.121 20 30 BEEDLP C=C(CC)C[NH+]1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000880136439 590938263 /nfs/dbraw/zinc/93/82/63/590938263.db2.gz LVOUMQPOHMOFCD-STQMWFEESA-N 2 2 208.349 2.121 20 30 BEEDLP C=C(CC)C[NH+]1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000880136439 590938265 /nfs/dbraw/zinc/93/82/65/590938265.db2.gz LVOUMQPOHMOFCD-STQMWFEESA-N 2 2 208.349 2.121 20 30 BEEDLP CCC#C[C@H](C)[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000880473976 591054221 /nfs/dbraw/zinc/05/42/21/591054221.db2.gz RTCAGLZEXLPYHW-AWEZNQCLSA-N 2 2 234.387 2.349 20 30 BEEDLP C=CCC[C@H]([NH2+]C[C@H](C)[NH+](C)C)[C@@H]1CCCO1 ZINC000883186553 591564877 /nfs/dbraw/zinc/56/48/77/591564877.db2.gz UVWZRGJLVIDRJT-IHRRRGAJSA-N 2 2 240.391 2.040 20 30 BEEDLP C[C@@H]([NH2+][C@H]1CCCC[NH2+]C1)c1ccc(C#N)cc1 ZINC000335498476 631232891 /nfs/dbraw/zinc/23/28/91/631232891.db2.gz NMXFXTATHQIWQX-DOMZBBRYSA-N 2 2 243.354 2.351 20 30 BEEDLP C[C@@H](CC(C)(C)C#N)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000926228422 631485486 /nfs/dbraw/zinc/48/54/86/631485486.db2.gz HRXWSFNQNHFTCQ-RYUDHWBXSA-N 2 2 246.358 2.116 20 30 BEEDLP C=C(C)COCC[NH2+][C@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925617230 634167491 /nfs/dbraw/zinc/16/74/91/634167491.db2.gz BVLPXNPYUBDJHM-ZFWWWQNUSA-N 2 2 248.370 2.257 20 30 BEEDLP CCC#C[C@H](C)[NH+]1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931311397 640146408 /nfs/dbraw/zinc/14/64/08/640146408.db2.gz MWCRBLRGFPGSIH-KKUMJFAQSA-N 2 2 234.387 2.062 20 30 BEEDLP CCC#C[C@H](C)[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931311400 640147370 /nfs/dbraw/zinc/14/73/70/640147370.db2.gz MWCRBLRGFPGSIH-SOUVJXGZSA-N 2 2 234.387 2.062 20 30 BEEDLP CCC#C[C@H](C)[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931311400 640147375 /nfs/dbraw/zinc/14/73/75/640147375.db2.gz MWCRBLRGFPGSIH-SOUVJXGZSA-N 2 2 234.387 2.062 20 30 BEEDLP CCC#C[C@H](C)[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC000931311400 640147381 /nfs/dbraw/zinc/14/73/81/640147381.db2.gz MWCRBLRGFPGSIH-SOUVJXGZSA-N 2 2 234.387 2.062 20 30 BEEDLP CCC#C[C@H](C)[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC000931311400 640147387 /nfs/dbraw/zinc/14/73/87/640147387.db2.gz MWCRBLRGFPGSIH-SOUVJXGZSA-N 2 2 234.387 2.062 20 30 BEEDLP C=CC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000931719363 640336403 /nfs/dbraw/zinc/33/64/03/640336403.db2.gz LITQVCUCXMVEMO-XQQFMLRXSA-N 2 2 208.349 2.120 20 30 BEEDLP C=CC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000931719363 640336409 /nfs/dbraw/zinc/33/64/09/640336409.db2.gz LITQVCUCXMVEMO-XQQFMLRXSA-N 2 2 208.349 2.120 20 30 BEEDLP C=CC[C@H](C)[NH+]1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000931719363 640336418 /nfs/dbraw/zinc/33/64/18/640336418.db2.gz LITQVCUCXMVEMO-XQQFMLRXSA-N 2 2 208.349 2.120 20 30 BEEDLP C=CC[C@H](C)[NH+]1[C@@H]2CC[C@H]1C[N@@H+](C)CC2 ZINC000931719363 640336425 /nfs/dbraw/zinc/33/64/25/640336425.db2.gz LITQVCUCXMVEMO-XQQFMLRXSA-N 2 2 208.349 2.120 20 30 BEEDLP C#CC[C@H]1CCC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000829804565 645112176 /nfs/dbraw/zinc/11/21/76/645112176.db2.gz JDHHJDPQOUJHAU-AWEZNQCLSA-N 2 2 231.343 2.009 20 30 BEEDLP C#CC[C@H]1CCC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000829804565 645112179 /nfs/dbraw/zinc/11/21/79/645112179.db2.gz JDHHJDPQOUJHAU-AWEZNQCLSA-N 2 2 231.343 2.009 20 30 BEEDLP C=CCCOCC[NH2+][C@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925625176 646371772 /nfs/dbraw/zinc/37/17/72/646371772.db2.gz GKCXMMCYLRBGPI-HIFRSBDPSA-N 2 2 248.370 2.257 20 30 BEEDLP C=C(C[NH2+][C@H]1CCC[NH2+][C@@H]1C)c1ccccc1 ZINC000925636200 646380781 /nfs/dbraw/zinc/38/07/81/646380781.db2.gz RRDRDNAZQPXIKB-HIFRSBDPSA-N 2 2 230.355 2.430 20 30 BEEDLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)CC(C)(C)C#N)C1 ZINC000925929212 646543509 /nfs/dbraw/zinc/54/35/09/646543509.db2.gz KPLYUFQQIKFXGF-RWMBFGLXSA-N 2 2 237.391 2.245 20 30 BEEDLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)CC(C)(C)C#N)C1 ZINC000925929212 646543520 /nfs/dbraw/zinc/54/35/20/646543520.db2.gz KPLYUFQQIKFXGF-RWMBFGLXSA-N 2 2 237.391 2.245 20 30 BEEDLP N#CCC1(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000926344243 646621854 /nfs/dbraw/zinc/62/18/54/646621854.db2.gz JPBAUFFDTUNFBY-ZIAGYGMSSA-N 2 2 247.386 2.287 20 30 BEEDLP N#CCC1(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000926344243 646621858 /nfs/dbraw/zinc/62/18/58/646621858.db2.gz JPBAUFFDTUNFBY-ZIAGYGMSSA-N 2 2 247.386 2.287 20 30 BEEDLP C#CCCCCC[NH+]1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000720433302 712842304 /nfs/dbraw/zinc/84/23/04/712842304.db2.gz PNXFCICQIHJMIL-CABCVRRESA-N 2 2 234.387 2.349 20 30 BEEDLP C#CCCCCC[NH+]1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000720433302 712842305 /nfs/dbraw/zinc/84/23/05/712842305.db2.gz PNXFCICQIHJMIL-CABCVRRESA-N 2 2 234.387 2.349 20 30 BEEDLP C#CCCCCC[N@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC000720433302 712842306 /nfs/dbraw/zinc/84/23/06/712842306.db2.gz PNXFCICQIHJMIL-CABCVRRESA-N 2 2 234.387 2.349 20 30 BEEDLP C#CCCCCC[N@@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC000720433302 712842307 /nfs/dbraw/zinc/84/23/07/712842307.db2.gz PNXFCICQIHJMIL-CABCVRRESA-N 2 2 234.387 2.349 20 30 BEEDLP C#C[C@H](C)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000381531896 710651245 /nfs/dbraw/zinc/65/12/45/710651245.db2.gz ZKLKKEJVBKXRBC-JTQLQIEISA-N 2 2 231.324 2.045 20 30 BEEDLP C=CCC[C@@H](C)[NH2+][C@@H](C)C[NH+]1CCCC1 ZINC000126892644 1165929792 /nfs/dbraw/zinc/92/97/92/1165929792.db2.gz LOJHOWDPPSQEMG-OLZOCXBDSA-N 2 2 210.365 2.415 20 30 BEEDLP CC[C@@H](C#N)[NH2+][C@@H](C)CCC[NH+](CC)CC ZINC000043539234 1165931505 /nfs/dbraw/zinc/93/15/05/1165931505.db2.gz ZPKMBKPWUYONNG-STQMWFEESA-N 2 2 225.380 2.389 20 30 BEEDLP C=CCCCC[N@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001206334923 968241144 /nfs/dbraw/zinc/24/11/44/968241144.db2.gz AULJKVWTRAOPKL-CYBMUJFWSA-N 2 2 228.355 2.496 20 30 BEEDLP C=CCCCC[N@@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001206334923 968241156 /nfs/dbraw/zinc/24/11/56/968241156.db2.gz AULJKVWTRAOPKL-CYBMUJFWSA-N 2 2 228.355 2.496 20 30 BEEDLP CC[NH+](CC)CC[C@H](C)[NH2+]CC1(C#N)CCC1 ZINC001255940537 970570282 /nfs/dbraw/zinc/57/02/82/970570282.db2.gz CYQHSEDNFJXEMJ-ZDUSSCGKSA-N 2 2 237.391 2.390 20 30 BEEDLP CC[NH+](CC)C1CCC([N@H+](C)[C@@H](C)C#N)CC1 ZINC001173114199 975026191 /nfs/dbraw/zinc/02/61/91/975026191.db2.gz ZWYLEQHEKVDMGG-HSBZDZAISA-N 2 2 237.391 2.483 20 30 BEEDLP CC[NH+](CC)C1CCC([N@@H+](C)[C@@H](C)C#N)CC1 ZINC001173114199 975026197 /nfs/dbraw/zinc/02/61/97/975026197.db2.gz ZWYLEQHEKVDMGG-HSBZDZAISA-N 2 2 237.391 2.483 20 30 BEEDLP C[C@@H](CCC#N)C[N@@H+]1CCC[NH+]2CCC[C@@H]2C1 ZINC001336721776 977882592 /nfs/dbraw/zinc/88/25/92/977882592.db2.gz PCJNEJWSVIIOIX-UONOGXRCSA-N 2 2 235.375 2.096 20 30 BEEDLP C[C@@H](CCC#N)C[N@H+]1CCC[NH+]2CCC[C@@H]2C1 ZINC001336721776 977882594 /nfs/dbraw/zinc/88/25/94/977882594.db2.gz PCJNEJWSVIIOIX-UONOGXRCSA-N 2 2 235.375 2.096 20 30 BEEDLP C[C@@H](CCC#N)C[NH+]1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001336721776 977882595 /nfs/dbraw/zinc/88/25/95/977882595.db2.gz PCJNEJWSVIIOIX-UONOGXRCSA-N 2 2 235.375 2.096 20 30 BEEDLP C[C@@H](CCC#N)C[NH+]1CCC[N@H+]2CCC[C@@H]2C1 ZINC001336721776 977882597 /nfs/dbraw/zinc/88/25/97/977882597.db2.gz PCJNEJWSVIIOIX-UONOGXRCSA-N 2 2 235.375 2.096 20 30 BEEDLP C[C@@H](CCCC#N)[NH2+]C[C@H]1CCCC[N@@H+]1C ZINC001172480252 974778917 /nfs/dbraw/zinc/77/89/17/974778917.db2.gz NDJLKODMZDETQW-QWHCGFSZSA-N 2 2 223.364 2.143 20 30 BEEDLP C[C@@H](CCCC#N)[NH2+]C[C@H]1CCCC[N@H+]1C ZINC001172480252 974778920 /nfs/dbraw/zinc/77/89/20/974778920.db2.gz NDJLKODMZDETQW-QWHCGFSZSA-N 2 2 223.364 2.143 20 30 BEEDLP C[NH+](C)CC(C)(C)CNc1cc(CC#N)cc[nH+]1 ZINC001157944679 970967097 /nfs/dbraw/zinc/96/70/97/970967097.db2.gz PILJBXAVZPNBMQ-UHFFFAOYSA-N 2 2 246.358 2.147 20 30 BEEDLP CC(C)[N@@H+]1CC[C@@H]([NH2+]C2CCC(C#N)CC2)C1 ZINC001256953373 971025547 /nfs/dbraw/zinc/02/55/47/971025547.db2.gz HZATXQKBRXENPE-JXQTWKCFSA-N 2 2 235.375 2.141 20 30 BEEDLP CC(C)[N@H+]1CC[C@@H]([NH2+]C2CCC(C#N)CC2)C1 ZINC001256953373 971025555 /nfs/dbraw/zinc/02/55/55/971025555.db2.gz HZATXQKBRXENPE-JXQTWKCFSA-N 2 2 235.375 2.141 20 30 BEEDLP C[C@@H](C[NH+]1CCCC1)[NH2+]C1CCC(C#N)CC1 ZINC001256953653 971031898 /nfs/dbraw/zinc/03/18/98/971031898.db2.gz LEPVBONLKZNNBR-HSBZDZAISA-N 2 2 235.375 2.143 20 30 BEEDLP CC(C)[N@@H+]1CC[C@H]([NH2+]C2CCC(C#N)CC2)C1 ZINC001256953385 971028600 /nfs/dbraw/zinc/02/86/00/971028600.db2.gz HZATXQKBRXENPE-RUXDESIVSA-N 2 2 235.375 2.141 20 30 BEEDLP CC(C)[N@H+]1CC[C@H]([NH2+]C2CCC(C#N)CC2)C1 ZINC001256953385 971028608 /nfs/dbraw/zinc/02/86/08/971028608.db2.gz HZATXQKBRXENPE-RUXDESIVSA-N 2 2 235.375 2.141 20 30 BEEDLP CC[C@H](CC#N)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172104704 974364441 /nfs/dbraw/zinc/36/44/41/974364441.db2.gz CKLLSMIYDRCWTN-SYQHCUMBSA-N 2 2 235.375 2.284 20 30 BEEDLP CC[C@H](CC#N)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172104704 974364449 /nfs/dbraw/zinc/36/44/49/974364449.db2.gz CKLLSMIYDRCWTN-SYQHCUMBSA-N 2 2 235.375 2.284 20 30 BEEDLP C[C@H]([NH3+])[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccccc1 ZINC000925702899 960700727 /nfs/dbraw/zinc/70/07/27/960700727.db2.gz FTIYCVMCSSRVHH-VIRABCJISA-N 2 2 243.354 2.357 20 30 BEEDLP CC(C)[C@](C)(C#N)[NH2+]C1CCC([NH+](C)C)CC1 ZINC001168298053 964393775 /nfs/dbraw/zinc/39/37/75/964393775.db2.gz ZJTYIUOKWBBDFM-RUXDESIVSA-N 2 2 237.391 2.387 20 30 BEEDLP C#Cc1ccc(C[N@H+]2C[C@@H](C)CC[C@@H]2C[NH3+])cc1 ZINC001205831076 967842156 /nfs/dbraw/zinc/84/21/56/967842156.db2.gz WEZHZHNVCQESLI-XJKSGUPXSA-N 2 2 242.366 2.227 20 30 BEEDLP C=C(C)CNc1cccc(C[N@@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001163382243 968032541 /nfs/dbraw/zinc/03/25/41/968032541.db2.gz XENNHAJWFQJBCF-CQSZACIVSA-N 2 2 245.370 2.208 20 30 BEEDLP C=C(C)CNc1cccc(C[N@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001163382243 968032549 /nfs/dbraw/zinc/03/25/49/968032549.db2.gz XENNHAJWFQJBCF-CQSZACIVSA-N 2 2 245.370 2.208 20 30 BEEDLP CC#CC[N@@H+]1CCC[C@@H]1CNc1cccc(C)[nH+]1 ZINC001253442214 969175271 /nfs/dbraw/zinc/17/52/71/969175271.db2.gz INIFBWXJBFRKDR-CQSZACIVSA-N 2 2 243.354 2.290 20 30 BEEDLP CC#CC[N@H+]1CCC[C@@H]1CNc1cccc(C)[nH+]1 ZINC001253442214 969175278 /nfs/dbraw/zinc/17/52/78/969175278.db2.gz INIFBWXJBFRKDR-CQSZACIVSA-N 2 2 243.354 2.290 20 30 BEEDLP CC[NH+]1CCC([NH2+]C2(CC#N)CCCC2)CC1 ZINC001169244391 969531457 /nfs/dbraw/zinc/53/14/57/969531457.db2.gz LSFSEGADXSXYDI-UHFFFAOYSA-N 2 2 235.375 2.287 20 30 BEEDLP N#C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](CC3CCC3)C2)C1 ZINC001254650598 969763459 /nfs/dbraw/zinc/76/34/59/969763459.db2.gz WAGALAZTNNPXJJ-ILXRZTDVSA-N 2 2 247.386 2.143 20 30 BEEDLP N#C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](CC3CCC3)C2)C1 ZINC001254650598 969763463 /nfs/dbraw/zinc/76/34/63/969763463.db2.gz WAGALAZTNNPXJJ-ILXRZTDVSA-N 2 2 247.386 2.143 20 30 BEEDLP CC(C)[N@H+]([C@@H]1CC[C@H](C#N)C1)C1CC[NH+](C)CC1 ZINC001254676031 969779492 /nfs/dbraw/zinc/77/94/92/969779492.db2.gz IGGUIHSKYXXGQB-DZGCQCFKSA-N 2 2 249.402 2.483 20 30 BEEDLP CC(C)[N@@H+]([C@@H]1CC[C@H](C#N)C1)C1CC[NH+](C)CC1 ZINC001254676031 969779495 /nfs/dbraw/zinc/77/94/95/969779495.db2.gz IGGUIHSKYXXGQB-DZGCQCFKSA-N 2 2 249.402 2.483 20 30 BEEDLP CC[N@H+](C)C1CC[NH+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC001254677421 969784408 /nfs/dbraw/zinc/78/44/08/969784408.db2.gz SXYGMPPJCQHGTC-TZMCWYRMSA-N 2 2 235.375 2.095 20 30 BEEDLP CC[N@@H+](C)C1CC[NH+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC001254677421 969784410 /nfs/dbraw/zinc/78/44/10/969784410.db2.gz SXYGMPPJCQHGTC-TZMCWYRMSA-N 2 2 235.375 2.095 20 30 BEEDLP C=CCCC[NH2+][C@H]1CC2CC[NH+](CC2)C1 ZINC001254847486 969803846 /nfs/dbraw/zinc/80/38/46/969803846.db2.gz HPGIHRHZPQTULM-ZDUSSCGKSA-N 2 2 208.349 2.027 20 30 BEEDLP C#CC(CC)(CC)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC001256066006 970630585 /nfs/dbraw/zinc/63/05/85/970630585.db2.gz NZKAVHTUHRQQPY-UHFFFAOYSA-N 2 2 234.387 2.395 20 30 BEEDLP N#CC[C@H]1CCC[N@@H+](C2CC[NH+](C3CC3)CC2)C1 ZINC001256079574 970649838 /nfs/dbraw/zinc/64/98/38/970649838.db2.gz MJTZSHKUZHXLFN-CYBMUJFWSA-N 2 2 247.386 2.239 20 30 BEEDLP N#CC[C@H]1CCC[N@H+](C2CC[NH+](C3CC3)CC2)C1 ZINC001256079574 970649846 /nfs/dbraw/zinc/64/98/46/970649846.db2.gz MJTZSHKUZHXLFN-CYBMUJFWSA-N 2 2 247.386 2.239 20 30 BEEDLP CCCCCCC[C@@H](CC)[NH2+][C@@H]1COC[C@H]1[NH3+] ZINC001172346612 974615764 /nfs/dbraw/zinc/61/57/64/974615764.db2.gz KGIJCPDZMXXADD-MGPQQGTHSA-N 2 2 242.407 2.441 20 30 BEEDLP CCCC[N@H+](C)CC[NH2+][C@H](C)CCCC#N ZINC001172481525 974781468 /nfs/dbraw/zinc/78/14/68/974781468.db2.gz VTQMWHXNYCZNIH-CYBMUJFWSA-N 2 2 225.380 2.390 20 30 BEEDLP CCCC[N@@H+](C)CC[NH2+][C@H](C)CCCC#N ZINC001172481525 974781471 /nfs/dbraw/zinc/78/14/71/974781471.db2.gz VTQMWHXNYCZNIH-CYBMUJFWSA-N 2 2 225.380 2.390 20 30 BEEDLP CC[NH+](CC)C1CCC([NH+]2CC(C#N)C2)CC1 ZINC001173108226 975024202 /nfs/dbraw/zinc/02/42/02/975024202.db2.gz GRRWWTPWTCQDBP-UHFFFAOYSA-N 2 2 235.375 2.095 20 30 BEEDLP C#Cc1cccc(C[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC001231655301 977668183 /nfs/dbraw/zinc/66/81/83/977668183.db2.gz BMRISLXUGMEYBR-UHFFFAOYSA-N 2 2 242.366 2.194 20 30 BEEDLP C#Cc1cccc(C[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC001231655301 977668187 /nfs/dbraw/zinc/66/81/87/977668187.db2.gz BMRISLXUGMEYBR-UHFFFAOYSA-N 2 2 242.366 2.194 20 30 BEEDLP CCCCCCC[N@@H+]1CC[C@H]2[NH2+]CC[C@H]21 ZINC001235073271 978969630 /nfs/dbraw/zinc/96/96/30/978969630.db2.gz AJZIVVHTUKIWDN-CHWSQXEVSA-N 2 2 210.365 2.393 20 30 BEEDLP CCCCCCC[N@H+]1CC[C@H]2[NH2+]CC[C@H]21 ZINC001235073271 978969639 /nfs/dbraw/zinc/96/96/39/978969639.db2.gz AJZIVVHTUKIWDN-CHWSQXEVSA-N 2 2 210.365 2.393 20 30 BEEDLP C[C@H]([NH3+])C[NH+]1CCC(c2cccc(C#N)c2)CC1 ZINC001235718406 979137395 /nfs/dbraw/zinc/13/73/95/979137395.db2.gz GTCDHKYSLHZALU-LBPRGKRZSA-N 2 2 243.354 2.085 20 30 BEEDLP C#Cc1cccc(C[N@@H+](CC)[C@@H]2CCC[NH2+]C2)c1 ZINC001236008591 979298468 /nfs/dbraw/zinc/29/84/68/979298468.db2.gz UOSRPCUSBBCNCL-MRXNPFEDSA-N 2 2 242.366 2.242 20 30 BEEDLP C#Cc1cccc(C[N@H+](CC)[C@@H]2CCC[NH2+]C2)c1 ZINC001236008591 979298478 /nfs/dbraw/zinc/29/84/78/979298478.db2.gz UOSRPCUSBBCNCL-MRXNPFEDSA-N 2 2 242.366 2.242 20 30 BEEDLP C=C(C)[C@@H]1CC=C(C[N@@H+]2C[C@H]3C[C@@]3([NH3+])C2)CC1 ZINC001236016185 979302396 /nfs/dbraw/zinc/30/23/96/979302396.db2.gz ONMSSIFTZISPCW-RBSFLKMASA-N 2 2 232.371 2.322 20 30 BEEDLP C=C(C)[C@@H]1CC=C(C[N@H+]2C[C@H]3C[C@@]3([NH3+])C2)CC1 ZINC001236016185 979302405 /nfs/dbraw/zinc/30/24/05/979302405.db2.gz ONMSSIFTZISPCW-RBSFLKMASA-N 2 2 232.371 2.322 20 30 BEEDLP CC[C@H]([NH3+])C[N@H+](C)Cc1ccc(C#N)cc1C ZINC001236884299 979777273 /nfs/dbraw/zinc/77/72/73/979777273.db2.gz NYZGJHPUFOJCDE-AWEZNQCLSA-N 2 2 231.343 2.036 20 30 BEEDLP CC[C@H]([NH3+])C[N@@H+](C)Cc1ccc(C#N)cc1C ZINC001236884299 979777285 /nfs/dbraw/zinc/77/72/85/979777285.db2.gz NYZGJHPUFOJCDE-AWEZNQCLSA-N 2 2 231.343 2.036 20 30 BEEDLP CC[C@H]([NH3+])C[N@H+](C)Cc1ccc(C)c(C#N)c1 ZINC001236869728 979777882 /nfs/dbraw/zinc/77/78/82/979777882.db2.gz YEMFCOXPPRDQGT-AWEZNQCLSA-N 2 2 231.343 2.036 20 30 BEEDLP CC[C@H]([NH3+])C[N@@H+](C)Cc1ccc(C)c(C#N)c1 ZINC001236869728 979777888 /nfs/dbraw/zinc/77/78/88/979777888.db2.gz YEMFCOXPPRDQGT-AWEZNQCLSA-N 2 2 231.343 2.036 20 30 BEEDLP CCc1cc(C[N@@H+](C)C[C@@H]([NH3+])CC)ccc1C#N ZINC001236884955 979781352 /nfs/dbraw/zinc/78/13/52/979781352.db2.gz VVWVWCTXKMJSAX-HNNXBMFYSA-N 2 2 245.370 2.290 20 30 BEEDLP CCc1cc(C[N@H+](C)C[C@@H]([NH3+])CC)ccc1C#N ZINC001236884955 979781363 /nfs/dbraw/zinc/78/13/63/979781363.db2.gz VVWVWCTXKMJSAX-HNNXBMFYSA-N 2 2 245.370 2.290 20 30 BEEDLP C/C(=C\C=C\[NH3+])c1cc(C#N)cc(C2C[NH2+]C2)c1 ZINC001240350618 981308996 /nfs/dbraw/zinc/30/89/96/981308996.db2.gz BUYHQRQVOVHBPP-UGHVFFQZSA-N 2 2 239.322 2.121 20 30 BEEDLP C[C@@H]1CC[C@H](C[NH3+])[N@H+](Cc2ccc(C#N)cc2)C1 ZINC001205805500 982565522 /nfs/dbraw/zinc/56/55/22/982565522.db2.gz QPHYFGGYLKYZTJ-IUODEOHRSA-N 2 2 243.354 2.117 20 30 BEEDLP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001205805500 982565529 /nfs/dbraw/zinc/56/55/29/982565529.db2.gz QPHYFGGYLKYZTJ-IUODEOHRSA-N 2 2 243.354 2.117 20 30 BEEDLP CC[C@H](CC#N)n1cc[nH+]c1[C@H]1CCC[NH2+]C1 ZINC001255173733 986868072 /nfs/dbraw/zinc/86/80/72/986868072.db2.gz DELXQPVSHYPKMZ-NWDGAFQWSA-N 2 2 232.331 2.215 20 30 BEEDLP CCCCCCCC[C@@H](O)C[NH2+]CC[NH2+]CC ZINC001245994992 987279884 /nfs/dbraw/zinc/27/98/84/987279884.db2.gz QRQWGNAJXJPLMR-CQSZACIVSA-N 2 2 244.423 2.297 20 30 BEEDLP CCCCCCCC[C@@H](O)C[N@@H+]1CC[C@@H]([NH3+])C1 ZINC001246070913 987355720 /nfs/dbraw/zinc/35/57/20/987355720.db2.gz OVKGSXSRDBZCMU-ZIAGYGMSSA-N 2 2 242.407 2.131 20 30 BEEDLP CCCCCCCC[C@@H](O)C[N@H+]1CC[C@@H]([NH3+])C1 ZINC001246070913 987355726 /nfs/dbraw/zinc/35/57/26/987355726.db2.gz OVKGSXSRDBZCMU-ZIAGYGMSSA-N 2 2 242.407 2.131 20 30 BEEDLP CCCCCCC[C@@H](CC)[NH2+]CC[NH2+]CCO ZINC001246380235 987774199 /nfs/dbraw/zinc/77/41/99/987774199.db2.gz UOFDNCJVTZHPLE-CQSZACIVSA-N 2 2 244.423 2.297 20 30 BEEDLP CCCCCCC[C@@H](CC)[N@@H+]1C[C@@H]([NH3+])[C@H](O)C1 ZINC001246559194 987982612 /nfs/dbraw/zinc/98/26/12/987982612.db2.gz SKLMTLCGGDMDHU-MGPQQGTHSA-N 2 2 242.407 2.129 20 30 BEEDLP CCCCCCC[C@@H](CC)[N@H+]1C[C@@H]([NH3+])[C@H](O)C1 ZINC001246559194 987982621 /nfs/dbraw/zinc/98/26/21/987982621.db2.gz SKLMTLCGGDMDHU-MGPQQGTHSA-N 2 2 242.407 2.129 20 30 BEEDLP C=CCC[C@H](C)[NH2+]CCOc1cc[nH+]cc1 ZINC001258725195 991662577 /nfs/dbraw/zinc/66/25/77/991662577.db2.gz HJCIEFAEEBLORL-LBPRGKRZSA-N 2 2 220.316 2.405 20 30 BEEDLP C=CCC[C@H](C)n1c(C)[nH+]c2c1CC[NH2+]CC2 ZINC001258727706 991666426 /nfs/dbraw/zinc/66/64/26/991666426.db2.gz ILKDDOXGIWUVQT-NSHDSACASA-N 2 2 233.359 2.407 20 30 BEEDLP C#C[C@H]([NH2+]C1CC([NH3+])C1)c1ccc(Cl)cc1 ZINC001574503737 992869185 /nfs/dbraw/zinc/86/91/85/992869185.db2.gz CEQPVZOCVILXOS-BPCQOVAHSA-N 2 2 234.730 2.094 20 30 BEEDLP CC1(C)CCC[N@H+](CC[C@H]2CCC[NH2+]C2)[C@H]1C#N ZINC001576433792 993304689 /nfs/dbraw/zinc/30/46/89/993304689.db2.gz KASMAYCLTYKAPZ-KGLIPLIRSA-N 2 2 249.402 2.390 20 30 BEEDLP CC1(C)CCC[N@@H+](CC[C@H]2CCC[NH2+]C2)[C@H]1C#N ZINC001576433792 993304695 /nfs/dbraw/zinc/30/46/95/993304695.db2.gz KASMAYCLTYKAPZ-KGLIPLIRSA-N 2 2 249.402 2.390 20 30 BEEDLP C[N@@H+]1CCC[C@@H]1CC[NH+](CCC#N)CC1CC1 ZINC000161985343 349527946 /nfs/dbraw/zinc/52/79/46/349527946.db2.gz ZFWBMXSNSJJWQS-CQSZACIVSA-N 2 2 235.375 2.096 20 30 BEEDLP C[N@H+]1CCC[C@@H]1CC[NH+](CCC#N)CC1CC1 ZINC000161985343 349527949 /nfs/dbraw/zinc/52/79/49/349527949.db2.gz ZFWBMXSNSJJWQS-CQSZACIVSA-N 2 2 235.375 2.096 20 30 BEEDLP C[NH+]1CCC[C@@H]1CC[N@H+](CCC#N)CC1CC1 ZINC000161985343 349527951 /nfs/dbraw/zinc/52/79/51/349527951.db2.gz ZFWBMXSNSJJWQS-CQSZACIVSA-N 2 2 235.375 2.096 20 30 BEEDLP C[NH+]1CCC[C@@H]1CC[N@@H+](CCC#N)CC1CC1 ZINC000161985343 349527953 /nfs/dbraw/zinc/52/79/53/349527953.db2.gz ZFWBMXSNSJJWQS-CQSZACIVSA-N 2 2 235.375 2.096 20 30 BEEDLP C[C@@H](CCC#N)C[N@@H+]1CCC[C@H]1C[NH+]1CCCC1 ZINC000602449089 349550047 /nfs/dbraw/zinc/55/00/47/349550047.db2.gz CBDAAOSZMBFOPR-GJZGRUSLSA-N 2 2 249.402 2.486 20 30 BEEDLP C[C@@H](CCC#N)C[N@H+]1CCC[C@H]1C[NH+]1CCCC1 ZINC000602449089 349550052 /nfs/dbraw/zinc/55/00/52/349550052.db2.gz CBDAAOSZMBFOPR-GJZGRUSLSA-N 2 2 249.402 2.486 20 30 BEEDLP CC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@@H](C)CCC#N ZINC000602506564 349582837 /nfs/dbraw/zinc/58/28/37/349582837.db2.gz DIUQECGNYHKALQ-QWHCGFSZSA-N 2 2 223.364 2.000 20 30 BEEDLP CC[N@H+]1CCC[C@@H]1C[NH2+]C[C@@H](C)CCC#N ZINC000602506564 349582839 /nfs/dbraw/zinc/58/28/39/349582839.db2.gz DIUQECGNYHKALQ-QWHCGFSZSA-N 2 2 223.364 2.000 20 30 BEEDLP C[C@H](CCC#N)C[NH2+]CC[N@@H+]1CCC[C@@H](C)C1 ZINC000602514580 349587120 /nfs/dbraw/zinc/58/71/20/349587120.db2.gz LCCNYGGNDXNJQV-ZIAGYGMSSA-N 2 2 237.391 2.248 20 30 BEEDLP C[C@H](CCC#N)C[NH2+]CC[N@H+]1CCC[C@@H](C)C1 ZINC000602514580 349587122 /nfs/dbraw/zinc/58/71/22/349587122.db2.gz LCCNYGGNDXNJQV-ZIAGYGMSSA-N 2 2 237.391 2.248 20 30 BEEDLP C[C@H](CCC#N)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000602567597 349619526 /nfs/dbraw/zinc/61/95/26/349619526.db2.gz HLGBIXVREOYIMJ-FRRDWIJNSA-N 2 2 235.375 2.141 20 30 BEEDLP C[C@H](CCC#N)C[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000602567597 349619528 /nfs/dbraw/zinc/61/95/28/349619528.db2.gz HLGBIXVREOYIMJ-FRRDWIJNSA-N 2 2 235.375 2.141 20 30 BEEDLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C1CCC(C#N)CC1 ZINC000602568719 349620300 /nfs/dbraw/zinc/62/03/00/349620300.db2.gz LFNKMZRLTQUZIH-CLTVBZQCSA-N 2 2 247.386 2.141 20 30 BEEDLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C1CCC(C#N)CC1 ZINC000602568719 349620302 /nfs/dbraw/zinc/62/03/02/349620302.db2.gz LFNKMZRLTQUZIH-CLTVBZQCSA-N 2 2 247.386 2.141 20 30 BEEDLP C[C@@H](CCC#N)C[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000602707593 349700717 /nfs/dbraw/zinc/70/07/17/349700717.db2.gz NWCBSRUGABKWLW-QWHCGFSZSA-N 2 2 237.391 2.389 20 30 BEEDLP C[C@@H](CCC#N)C[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000602707593 349700719 /nfs/dbraw/zinc/70/07/19/349700719.db2.gz NWCBSRUGABKWLW-QWHCGFSZSA-N 2 2 237.391 2.389 20 30 BEEDLP N#CCC1(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000602796237 349737563 /nfs/dbraw/zinc/73/75/63/349737563.db2.gz WPELYOXKFOJWDL-GFCCVEGCSA-N 2 2 244.342 2.283 20 30 BEEDLP N#CCC1(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000602796237 349737565 /nfs/dbraw/zinc/73/75/65/349737565.db2.gz WPELYOXKFOJWDL-GFCCVEGCSA-N 2 2 244.342 2.283 20 30 BEEDLP C=CCC[C@H]([NH2+]CC[N@@H+](C)CC)C1CC1 ZINC000120567854 136275760 /nfs/dbraw/zinc/27/57/60/136275760.db2.gz UXCTWAFEDCEKRC-ZDUSSCGKSA-N 2 2 210.365 2.273 20 30 BEEDLP C=CCC[C@H]([NH2+]CC[N@H+](C)CC)C1CC1 ZINC000120567854 136275761 /nfs/dbraw/zinc/27/57/61/136275761.db2.gz UXCTWAFEDCEKRC-ZDUSSCGKSA-N 2 2 210.365 2.273 20 30 BEEDLP C[N@H+](CC[C@H]1CCC[NH+]1C)[C@H]1CCC[C@@H]1C#N ZINC000602979383 349844071 /nfs/dbraw/zinc/84/40/71/349844071.db2.gz CSEPPWYENQNUOQ-MCIONIFRSA-N 2 2 235.375 2.095 20 30 BEEDLP C[N@@H+](CC[C@H]1CCC[NH+]1C)[C@H]1CCC[C@@H]1C#N ZINC000602979383 349844073 /nfs/dbraw/zinc/84/40/73/349844073.db2.gz CSEPPWYENQNUOQ-MCIONIFRSA-N 2 2 235.375 2.095 20 30 BEEDLP C[NH+](CC[C@H]1CCC[N@@H+]1C)[C@H]1CCC[C@@H]1C#N ZINC000602979383 349844076 /nfs/dbraw/zinc/84/40/76/349844076.db2.gz CSEPPWYENQNUOQ-MCIONIFRSA-N 2 2 235.375 2.095 20 30 BEEDLP C[NH+](CC[C@H]1CCC[N@H+]1C)[C@H]1CCC[C@@H]1C#N ZINC000602979383 349844078 /nfs/dbraw/zinc/84/40/78/349844078.db2.gz CSEPPWYENQNUOQ-MCIONIFRSA-N 2 2 235.375 2.095 20 30 BEEDLP C=CC[C@@H]1CC[N@@H+](CCn2cc[nH+]c2C)C1 ZINC000625704633 344049726 /nfs/dbraw/zinc/04/97/26/344049726.db2.gz ZBTNPPHBKJTLET-CYBMUJFWSA-N 2 2 219.332 2.090 20 30 BEEDLP C=CC[C@@H]1CC[N@H+](CCn2cc[nH+]c2C)C1 ZINC000625704633 344049727 /nfs/dbraw/zinc/04/97/27/344049727.db2.gz ZBTNPPHBKJTLET-CYBMUJFWSA-N 2 2 219.332 2.090 20 30 BEEDLP CC(C)[NH2+][C@H]1CCC[N@H+](CCCCC#N)C1 ZINC000609385880 344470725 /nfs/dbraw/zinc/47/07/25/344470725.db2.gz GFRZACPRQFPGAC-ZDUSSCGKSA-N 2 2 223.364 2.143 20 30 BEEDLP CC(C)[NH2+][C@H]1CCC[N@@H+](CCCCC#N)C1 ZINC000609385880 344470726 /nfs/dbraw/zinc/47/07/26/344470726.db2.gz GFRZACPRQFPGAC-ZDUSSCGKSA-N 2 2 223.364 2.143 20 30 BEEDLP C=CCC[C@@H]([NH2+]CCn1cc[nH+]c1)C1CC1 ZINC000119851647 344868324 /nfs/dbraw/zinc/86/83/24/344868324.db2.gz VKDNTRMRTPVTFA-CYBMUJFWSA-N 2 2 219.332 2.218 20 30 BEEDLP CC(C)(CCC#N)C[N@@H+]1CCC[NH+]2CCC[C@H]2C1 ZINC000371418703 534995363 /nfs/dbraw/zinc/99/53/63/534995363.db2.gz FESDIJQNALJZSI-AWEZNQCLSA-N 2 2 249.402 2.486 20 30 BEEDLP CC(C)(CCC#N)C[N@H+]1CCC[NH+]2CCC[C@H]2C1 ZINC000371418703 534995366 /nfs/dbraw/zinc/99/53/66/534995366.db2.gz FESDIJQNALJZSI-AWEZNQCLSA-N 2 2 249.402 2.486 20 30 BEEDLP CC(C)(CCC#N)C[NH+]1CCC[N@@H+]2CCC[C@H]2C1 ZINC000371418703 534995370 /nfs/dbraw/zinc/99/53/70/534995370.db2.gz FESDIJQNALJZSI-AWEZNQCLSA-N 2 2 249.402 2.486 20 30 BEEDLP CC(C)(CCC#N)C[NH+]1CCC[N@H+]2CCC[C@H]2C1 ZINC000371418703 534995376 /nfs/dbraw/zinc/99/53/76/534995376.db2.gz FESDIJQNALJZSI-AWEZNQCLSA-N 2 2 249.402 2.486 20 30 BEEDLP N#C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)C1 ZINC000590158601 346782798 /nfs/dbraw/zinc/78/27/98/346782798.db2.gz DSTZXWKNIYLLSE-MGPQQGTHSA-N 2 2 244.342 2.212 20 30 BEEDLP N#C[C@@H]1CC[C@@H]([N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)C1 ZINC000590158601 346782801 /nfs/dbraw/zinc/78/28/01/346782801.db2.gz DSTZXWKNIYLLSE-MGPQQGTHSA-N 2 2 244.342 2.212 20 30 BEEDLP N#C[C@@H]1CC[C@H]([N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)C1 ZINC000590158602 346782925 /nfs/dbraw/zinc/78/29/25/346782925.db2.gz DSTZXWKNIYLLSE-RDBSUJKOSA-N 2 2 244.342 2.212 20 30 BEEDLP N#C[C@@H]1CC[C@H]([N@H+]2CCC[C@H](n3cc[nH+]c3)C2)C1 ZINC000590158602 346782926 /nfs/dbraw/zinc/78/29/26/346782926.db2.gz DSTZXWKNIYLLSE-RDBSUJKOSA-N 2 2 244.342 2.212 20 30 BEEDLP C=CCC[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000266711422 166263069 /nfs/dbraw/zinc/26/30/69/166263069.db2.gz FOAYVKOSKUATJW-UHFFFAOYSA-N 2 2 205.305 2.165 20 30 BEEDLP C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)[C@H]1CCC[NH2+]1 ZINC000591570990 347675809 /nfs/dbraw/zinc/67/58/09/347675809.db2.gz PRZDRGOBEHITAW-YWPYICTPSA-N 2 2 243.354 2.349 20 30 BEEDLP C[C@@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1cccc(C#N)c1 ZINC000591570988 347675941 /nfs/dbraw/zinc/67/59/41/347675941.db2.gz PRZDRGOBEHITAW-TYNCELHUSA-N 2 2 243.354 2.349 20 30 BEEDLP C[C@@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1cccc(C#N)c1 ZINC000591578044 347677481 /nfs/dbraw/zinc/67/74/81/347677481.db2.gz PCMXXNNGAYLLQM-DOMZBBRYSA-N 2 2 243.354 2.351 20 30 BEEDLP N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC000594520379 348069499 /nfs/dbraw/zinc/06/94/99/348069499.db2.gz NWFABTVCTJTYEB-BARDWOONSA-N 2 2 247.386 2.285 20 30 BEEDLP N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)C1 ZINC000594520379 348069502 /nfs/dbraw/zinc/06/95/02/348069502.db2.gz NWFABTVCTJTYEB-BARDWOONSA-N 2 2 247.386 2.285 20 30 BEEDLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000595047914 348179845 /nfs/dbraw/zinc/17/98/45/348179845.db2.gz HTOLRLQOGXNGJS-JHJVBQTASA-N 2 2 235.375 2.141 20 30 BEEDLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000595047914 348179848 /nfs/dbraw/zinc/17/98/48/348179848.db2.gz HTOLRLQOGXNGJS-JHJVBQTASA-N 2 2 235.375 2.141 20 30 BEEDLP C[NH2+]C[C@@H](C)[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000596654387 348607767 /nfs/dbraw/zinc/60/77/67/348607767.db2.gz NRZWMFUIDMMFBM-IAQYHMDHSA-N 2 2 243.354 2.133 20 30 BEEDLP CC[C@H]([NH2+][C@H](C)C[NH2+]C)c1ccc(C#N)cc1 ZINC000596654777 348607989 /nfs/dbraw/zinc/60/79/89/348607989.db2.gz NILCZTWPGMWEFY-RISCZKNCSA-N 2 2 231.343 2.207 20 30 BEEDLP C[C@@H]([NH2+]Cc1cccc(C#N)c1)[C@@H]1CCCC[NH2+]1 ZINC000386088859 362939830 /nfs/dbraw/zinc/93/98/30/362939830.db2.gz HVCYWBRJGWURNB-DOMZBBRYSA-N 2 2 243.354 2.178 20 30 BEEDLP CC(C)(C#N)CCCC[N@@H+]1CCc2[nH+]c[nH]c2C1 ZINC000599421609 349183452 /nfs/dbraw/zinc/18/34/52/349183452.db2.gz FTXZZMIFUNDDKX-UHFFFAOYSA-N 2 2 246.358 2.488 20 30 BEEDLP CC(C)(C#N)CCCC[N@H+]1CCc2[nH+]c[nH]c2C1 ZINC000599421609 349183457 /nfs/dbraw/zinc/18/34/57/349183457.db2.gz FTXZZMIFUNDDKX-UHFFFAOYSA-N 2 2 246.358 2.488 20 30 BEEDLP C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427868896 191097173 /nfs/dbraw/zinc/09/71/73/191097173.db2.gz BKEOWDZDWZKMLZ-RWMBFGLXSA-N 2 2 233.359 2.388 20 30 BEEDLP C[C@H](CCC#N)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000276284042 351615043 /nfs/dbraw/zinc/61/50/43/351615043.db2.gz GMQTXHLCHZYLTM-GFCCVEGCSA-N 2 2 232.331 2.212 20 30 BEEDLP Cc1cc[nH+]cc1CCC[N@@H+](C)C[C@@H](C)C#N ZINC000289228444 352176391 /nfs/dbraw/zinc/17/63/91/352176391.db2.gz YJFMVRFKDCQUTO-LBPRGKRZSA-N 2 2 231.343 2.414 20 30 BEEDLP Cc1cc[nH+]cc1CCC[N@H+](C)C[C@@H](C)C#N ZINC000289228444 352176396 /nfs/dbraw/zinc/17/63/96/352176396.db2.gz YJFMVRFKDCQUTO-LBPRGKRZSA-N 2 2 231.343 2.414 20 30 BEEDLP C=CC[NH+]1CCC([NH2+][C@H](C)[C@@H]2CC2(F)F)CC1 ZINC000638524062 352356605 /nfs/dbraw/zinc/35/66/05/352356605.db2.gz KITGKTLCNBUGBJ-PWSUYJOCSA-N 2 2 244.329 2.270 20 30 BEEDLP CC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)c2cccc(C#N)c2)C1 ZINC000389511869 352621403 /nfs/dbraw/zinc/62/14/03/352621403.db2.gz FEMJQOBZTSNDSC-SWLSCSKDSA-N 2 2 243.354 2.303 20 30 BEEDLP CC[N@H+]1CC[C@@H]([NH2+][C@@H](C)c2cccc(C#N)c2)C1 ZINC000389511869 352621407 /nfs/dbraw/zinc/62/14/07/352621407.db2.gz FEMJQOBZTSNDSC-SWLSCSKDSA-N 2 2 243.354 2.303 20 30 BEEDLP N#CC1(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)CC1 ZINC000334266534 352902285 /nfs/dbraw/zinc/90/22/85/352902285.db2.gz MVBGJOXYLNWYMN-CQSZACIVSA-N 2 2 247.386 2.240 20 30 BEEDLP N#CC1(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)CC1 ZINC000334266534 352902288 /nfs/dbraw/zinc/90/22/88/352902288.db2.gz MVBGJOXYLNWYMN-CQSZACIVSA-N 2 2 247.386 2.240 20 30 BEEDLP C=C(CC)C[NH+]1CCN(c2c[nH+]ccc2C)CC1 ZINC000343043869 352953107 /nfs/dbraw/zinc/95/31/07/352953107.db2.gz PZOOTBAFRSFYJY-UHFFFAOYSA-N 2 2 245.370 2.478 20 30 BEEDLP C#CC[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282024113 353461002 /nfs/dbraw/zinc/46/10/02/353461002.db2.gz KLDMSEWQCGNNAV-CYBMUJFWSA-N 2 2 243.354 2.032 20 30 BEEDLP C#CC[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282024113 353461003 /nfs/dbraw/zinc/46/10/03/353461003.db2.gz KLDMSEWQCGNNAV-CYBMUJFWSA-N 2 2 243.354 2.032 20 30 BEEDLP C#CCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000289400463 353626806 /nfs/dbraw/zinc/62/68/06/353626806.db2.gz NXKFDXRDTDHTJR-HUUCEWRRSA-N 2 2 228.339 2.045 20 30 BEEDLP C#CCC[NH2+][C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000289400463 353626810 /nfs/dbraw/zinc/62/68/10/353626810.db2.gz NXKFDXRDTDHTJR-HUUCEWRRSA-N 2 2 228.339 2.045 20 30 BEEDLP CC[N@@H+]1CC[C@H]([NH+](C)CC2(C#N)CC2)C[C@@H]1C ZINC000343316753 353650015 /nfs/dbraw/zinc/65/00/15/353650015.db2.gz SZPKOPFRJUHUSE-STQMWFEESA-N 2 2 235.375 2.095 20 30 BEEDLP CC[N@H+]1CC[C@H]([NH+](C)CC2(C#N)CC2)C[C@@H]1C ZINC000343316753 353650018 /nfs/dbraw/zinc/65/00/18/353650018.db2.gz SZPKOPFRJUHUSE-STQMWFEESA-N 2 2 235.375 2.095 20 30 BEEDLP CC[NH+]1CC[C@H]([N@H+](C)CC2(C#N)CC2)C[C@@H]1C ZINC000343316753 353650022 /nfs/dbraw/zinc/65/00/22/353650022.db2.gz SZPKOPFRJUHUSE-STQMWFEESA-N 2 2 235.375 2.095 20 30 BEEDLP CC[NH+]1CC[C@H]([N@@H+](C)CC2(C#N)CC2)C[C@@H]1C ZINC000343316753 353650024 /nfs/dbraw/zinc/65/00/24/353650024.db2.gz SZPKOPFRJUHUSE-STQMWFEESA-N 2 2 235.375 2.095 20 30 BEEDLP C#Cc1ccc(C[NH2+]C[C@H]2CCC[N@H+]2CC)cc1 ZINC000289206691 353619463 /nfs/dbraw/zinc/61/94/63/353619463.db2.gz IEJJDYXAAMRUQO-MRXNPFEDSA-N 2 2 242.366 2.242 20 30 BEEDLP C#Cc1ccc(C[NH2+]C[C@H]2CCC[N@@H+]2CC)cc1 ZINC000289206691 353619466 /nfs/dbraw/zinc/61/94/66/353619466.db2.gz IEJJDYXAAMRUQO-MRXNPFEDSA-N 2 2 242.366 2.242 20 30 BEEDLP C=C(CC)C[NH2+]Cc1cccc2[nH+]ccn21 ZINC000449732284 202010551 /nfs/dbraw/zinc/01/05/51/202010551.db2.gz BABXONMVEJWGAU-UHFFFAOYSA-N 2 2 215.300 2.390 20 30 BEEDLP C=CCOc1cccc(C[N@@H+]2CCC[NH2+]CC2)c1 ZINC000346632633 355014157 /nfs/dbraw/zinc/01/41/57/355014157.db2.gz DFZCNFRLBRTHCZ-UHFFFAOYSA-N 2 2 246.354 2.047 20 30 BEEDLP C=CCOc1cccc(C[N@H+]2CCC[NH2+]CC2)c1 ZINC000346632633 355014160 /nfs/dbraw/zinc/01/41/60/355014160.db2.gz DFZCNFRLBRTHCZ-UHFFFAOYSA-N 2 2 246.354 2.047 20 30 BEEDLP C=CC[N@H+](Cc1ccccc1)CC(C)(C)[NH3+] ZINC000346846958 355136623 /nfs/dbraw/zinc/13/66/23/355136623.db2.gz OGPSETNBYCWCOE-UHFFFAOYSA-N 2 2 218.344 2.412 20 30 BEEDLP C=CC[N@@H+](Cc1ccccc1)CC(C)(C)[NH3+] ZINC000346846958 355136626 /nfs/dbraw/zinc/13/66/26/355136626.db2.gz OGPSETNBYCWCOE-UHFFFAOYSA-N 2 2 218.344 2.412 20 30 BEEDLP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000420355250 192220421 /nfs/dbraw/zinc/22/04/21/192220421.db2.gz BXIMLNDMDRWDRM-TYNCELHUSA-N 2 2 243.354 2.034 20 30 BEEDLP C=CCC[N@@H+]1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000420395256 192236488 /nfs/dbraw/zinc/23/64/88/192236488.db2.gz SSWDAAUNJFUKPV-UONOGXRCSA-N 2 2 234.318 2.128 20 30 BEEDLP C=CCC[N@H+]1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000420395256 192236491 /nfs/dbraw/zinc/23/64/91/192236491.db2.gz SSWDAAUNJFUKPV-UONOGXRCSA-N 2 2 234.318 2.128 20 30 BEEDLP C[C@@H](CC[NH+](C)C)[NH2+]Cc1ccc(C#N)cc1F ZINC000049557703 356482154 /nfs/dbraw/zinc/48/21/54/356482154.db2.gz VKYRQXODQVDYNK-NSHDSACASA-N 2 2 249.333 2.127 20 30 BEEDLP CC1(C)CCC[N@@H+]1CC[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000449779316 202032361 /nfs/dbraw/zinc/03/23/61/202032361.db2.gz DASPLDGRYSCZBS-STQMWFEESA-N 2 2 235.375 2.143 20 30 BEEDLP CC1(C)CCC[N@H+]1CC[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000449779316 202032363 /nfs/dbraw/zinc/03/23/63/202032363.db2.gz DASPLDGRYSCZBS-STQMWFEESA-N 2 2 235.375 2.143 20 30 BEEDLP C=CC[C@@H]1CC[N@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000628406748 357201181 /nfs/dbraw/zinc/20/11/81/357201181.db2.gz PXJOZMJEIZCTTE-GFCCVEGCSA-N 2 2 231.343 2.227 20 30 BEEDLP C=CC[C@@H]1CC[N@@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000628406748 357201183 /nfs/dbraw/zinc/20/11/83/357201183.db2.gz PXJOZMJEIZCTTE-GFCCVEGCSA-N 2 2 231.343 2.227 20 30 BEEDLP CC(C)(CCC#N)C[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000610270905 357404767 /nfs/dbraw/zinc/40/47/67/357404767.db2.gz GNJHZPFSPYDRMB-AWEZNQCLSA-N 2 2 249.402 2.390 20 30 BEEDLP CC(C)(CCC#N)C[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000610270905 357404770 /nfs/dbraw/zinc/40/47/70/357404770.db2.gz GNJHZPFSPYDRMB-AWEZNQCLSA-N 2 2 249.402 2.390 20 30 BEEDLP CCCC[N@H+](C)CC[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000361460550 134205304 /nfs/dbraw/zinc/20/53/04/134205304.db2.gz ZEGUVULCVPCVGJ-ZIAGYGMSSA-N 2 2 237.391 2.390 20 30 BEEDLP CCCC[N@@H+](C)CC[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000361460550 134205305 /nfs/dbraw/zinc/20/53/05/134205305.db2.gz ZEGUVULCVPCVGJ-ZIAGYGMSSA-N 2 2 237.391 2.390 20 30 BEEDLP CCCC[N@H+](C)CC[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000361460549 134205497 /nfs/dbraw/zinc/20/54/97/134205497.db2.gz ZEGUVULCVPCVGJ-UONOGXRCSA-N 2 2 237.391 2.390 20 30 BEEDLP CCCC[N@@H+](C)CC[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000361460549 134205498 /nfs/dbraw/zinc/20/54/98/134205498.db2.gz ZEGUVULCVPCVGJ-UONOGXRCSA-N 2 2 237.391 2.390 20 30 BEEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)CCCOC)CC1 ZINC000177911526 134301455 /nfs/dbraw/zinc/30/14/55/134301455.db2.gz MHQHEXYLPQIMDC-ZDUSSCGKSA-N 2 2 240.391 2.042 20 30 BEEDLP C=CC[C@H](C)[C@@H](C)[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000308823525 491138498 /nfs/dbraw/zinc/13/84/98/491138498.db2.gz CUYOVIMWMHPNCK-XQQFMLRXSA-N 2 2 210.365 2.271 20 30 BEEDLP C=CC[C@H](C)[C@@H](C)[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000308823525 491138499 /nfs/dbraw/zinc/13/84/99/491138499.db2.gz CUYOVIMWMHPNCK-XQQFMLRXSA-N 2 2 210.365 2.271 20 30 BEEDLP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612159405 359707647 /nfs/dbraw/zinc/70/76/47/359707647.db2.gz AVICVIRNELYFFN-CQSZACIVSA-N 2 2 246.358 2.207 20 30 BEEDLP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612159405 359707651 /nfs/dbraw/zinc/70/76/51/359707651.db2.gz AVICVIRNELYFFN-CQSZACIVSA-N 2 2 246.358 2.207 20 30 BEEDLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@](C)(C#N)C1 ZINC000612164443 359718622 /nfs/dbraw/zinc/71/86/22/359718622.db2.gz GFZDLJRJLAZFHO-KGLIPLIRSA-N 2 2 235.375 2.096 20 30 BEEDLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@](C)(C#N)C1 ZINC000612164443 359718628 /nfs/dbraw/zinc/71/86/28/359718628.db2.gz GFZDLJRJLAZFHO-KGLIPLIRSA-N 2 2 235.375 2.096 20 30 BEEDLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612164443 359718632 /nfs/dbraw/zinc/71/86/32/359718632.db2.gz GFZDLJRJLAZFHO-KGLIPLIRSA-N 2 2 235.375 2.096 20 30 BEEDLP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612164443 359718638 /nfs/dbraw/zinc/71/86/38/359718638.db2.gz GFZDLJRJLAZFHO-KGLIPLIRSA-N 2 2 235.375 2.096 20 30 BEEDLP C=CC[N@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000435614774 201280475 /nfs/dbraw/zinc/28/04/75/201280475.db2.gz FQFUMVGWRCEKIO-HNNXBMFYSA-N 2 2 245.370 2.212 20 30 BEEDLP C=CC[N@@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000435614774 201280479 /nfs/dbraw/zinc/28/04/79/201280479.db2.gz FQFUMVGWRCEKIO-HNNXBMFYSA-N 2 2 245.370 2.212 20 30 BEEDLP C=CCC(C)(C)C[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000339418241 365460836 /nfs/dbraw/zinc/46/08/36/365460836.db2.gz ZECVMVGLFAFOBK-RYUDHWBXSA-N 2 2 210.365 2.128 20 30 BEEDLP C=CCC(C)(C)C[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000339418241 365460839 /nfs/dbraw/zinc/46/08/39/365460839.db2.gz ZECVMVGLFAFOBK-RYUDHWBXSA-N 2 2 210.365 2.128 20 30 BEEDLP Cc1ccc(C[N@@H+](C)[C@@H](C[NH3+])C2CC2)cc1C#N ZINC000600709941 369559672 /nfs/dbraw/zinc/55/96/72/369559672.db2.gz LKXSVTJBSQNSAP-HNNXBMFYSA-N 2 2 243.354 2.036 20 30 BEEDLP Cc1ccc(C[N@H+](C)[C@@H](C[NH3+])C2CC2)cc1C#N ZINC000600709941 369559674 /nfs/dbraw/zinc/55/96/74/369559674.db2.gz LKXSVTJBSQNSAP-HNNXBMFYSA-N 2 2 243.354 2.036 20 30 BEEDLP C[C@@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1cccc(C#N)c1 ZINC000600711237 369561098 /nfs/dbraw/zinc/56/10/98/369561098.db2.gz RXGWUBMHHWPHRI-JMSVASOKSA-N 2 2 243.354 2.349 20 30 BEEDLP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1ccccc1C#N ZINC000133537686 372071055 /nfs/dbraw/zinc/07/10/55/372071055.db2.gz AEQBKQLQNULYQD-OAHLLOKOSA-N 2 2 245.370 2.363 20 30 BEEDLP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1ccccc1C#N ZINC000133537686 372071063 /nfs/dbraw/zinc/07/10/63/372071063.db2.gz AEQBKQLQNULYQD-OAHLLOKOSA-N 2 2 245.370 2.363 20 30 BEEDLP C=C(C)C[N@@H+](C)Cc1cccc2[nH+]ccn21 ZINC000181043163 134333240 /nfs/dbraw/zinc/33/32/40/134333240.db2.gz KMPULOMCRILRKK-UHFFFAOYSA-N 2 2 215.300 2.342 20 30 BEEDLP C=C(C)C[N@H+](C)Cc1cccc2[nH+]ccn21 ZINC000181043163 134333241 /nfs/dbraw/zinc/33/32/41/134333241.db2.gz KMPULOMCRILRKK-UHFFFAOYSA-N 2 2 215.300 2.342 20 30 BEEDLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000135690995 384278312 /nfs/dbraw/zinc/27/83/12/384278312.db2.gz YFGNXKWVUYFPSP-GWCFXTLKSA-N 2 2 249.383 2.050 20 30 BEEDLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000135690995 384278320 /nfs/dbraw/zinc/27/83/20/384278320.db2.gz YFGNXKWVUYFPSP-GWCFXTLKSA-N 2 2 249.383 2.050 20 30 BEEDLP C=CCCC[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000308832354 384330849 /nfs/dbraw/zinc/33/08/49/384330849.db2.gz USTUYIQMWHWQFC-RYUDHWBXSA-N 2 2 208.349 2.167 20 30 BEEDLP C=CCCC[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000308832354 384330851 /nfs/dbraw/zinc/33/08/51/384330851.db2.gz USTUYIQMWHWQFC-RYUDHWBXSA-N 2 2 208.349 2.167 20 30 BEEDLP C=C(CC)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000313495663 384426200 /nfs/dbraw/zinc/42/62/00/384426200.db2.gz XSEXLPFQDUCATM-VXGBXAGGSA-N 2 2 208.349 2.167 20 30 BEEDLP C=C(CC)C[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000313495663 384426206 /nfs/dbraw/zinc/42/62/06/384426206.db2.gz XSEXLPFQDUCATM-VXGBXAGGSA-N 2 2 208.349 2.167 20 30 BEEDLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)C[N@@H+]1C1CC1 ZINC000449446913 384554377 /nfs/dbraw/zinc/55/43/77/384554377.db2.gz UOFWOPYYIMBRGI-RFGFWPKPSA-N 2 2 247.386 2.284 20 30 BEEDLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)C[N@H+]1C1CC1 ZINC000449446913 384554384 /nfs/dbraw/zinc/55/43/84/384554384.db2.gz UOFWOPYYIMBRGI-RFGFWPKPSA-N 2 2 247.386 2.284 20 30 BEEDLP C=CC(C)(C)C[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000449487649 385228322 /nfs/dbraw/zinc/22/83/22/385228322.db2.gz ZUOCNWYMWOKMOX-DGCLKSJQSA-N 2 2 222.376 2.271 20 30 BEEDLP C=CC(C)(C)C[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000449487649 385228330 /nfs/dbraw/zinc/22/83/30/385228330.db2.gz ZUOCNWYMWOKMOX-DGCLKSJQSA-N 2 2 222.376 2.271 20 30 BEEDLP C=CCC[C@H](C)[NH2+][C@H]1CCC[N@H+](C)[C@@H]1C ZINC000308920520 385292259 /nfs/dbraw/zinc/29/22/59/385292259.db2.gz CDOSMUIPLBRDBP-XQQFMLRXSA-N 2 2 210.365 2.413 20 30 BEEDLP C=CCC[C@H](C)[NH2+][C@H]1CCC[N@@H+](C)[C@@H]1C ZINC000308920520 385292264 /nfs/dbraw/zinc/29/22/64/385292264.db2.gz CDOSMUIPLBRDBP-XQQFMLRXSA-N 2 2 210.365 2.413 20 30 BEEDLP C=CCOc1ccc(C[NH2+][C@@H]2CCC[NH2+]C2)cc1 ZINC000414874227 385883945 /nfs/dbraw/zinc/88/39/45/385883945.db2.gz YVQLDLGHUGVEDZ-CQSZACIVSA-N 2 2 246.354 2.093 20 30 BEEDLP C=CC[NH+]1CCC([NH2+]Cc2ccoc2C)CC1 ZINC000414332261 386128423 /nfs/dbraw/zinc/12/84/23/386128423.db2.gz LIRMSNJYQHTDCF-UHFFFAOYSA-N 2 2 234.343 2.328 20 30 BEEDLP C=CC[N@@H+](Cc1ccccc1F)C[C@@H]1CC[NH2+]C1 ZINC000647881582 386215618 /nfs/dbraw/zinc/21/56/18/386215618.db2.gz NYCGFJMAQWKECA-CYBMUJFWSA-N 2 2 248.345 2.423 20 30 BEEDLP C=CC[N@H+](Cc1ccccc1F)C[C@@H]1CC[NH2+]C1 ZINC000647881582 386215623 /nfs/dbraw/zinc/21/56/23/386215623.db2.gz NYCGFJMAQWKECA-CYBMUJFWSA-N 2 2 248.345 2.423 20 30 BEEDLP C[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000442712241 386528611 /nfs/dbraw/zinc/52/86/11/386528611.db2.gz UKKFIVQJMUDOSM-HZSPNIEDSA-N 2 2 235.375 2.143 20 30 BEEDLP C[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000442712241 386528618 /nfs/dbraw/zinc/52/86/18/386528618.db2.gz UKKFIVQJMUDOSM-HZSPNIEDSA-N 2 2 235.375 2.143 20 30 BEEDLP C[C@@H]1CCC[N@H+](CC[NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC000442710838 386523505 /nfs/dbraw/zinc/52/35/05/386523505.db2.gz QWOHZUQILDPFAJ-HZSPNIEDSA-N 2 2 235.375 2.000 20 30 BEEDLP C[C@@H]1CCC[N@@H+](CC[NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC000442710838 386523508 /nfs/dbraw/zinc/52/35/08/386523508.db2.gz QWOHZUQILDPFAJ-HZSPNIEDSA-N 2 2 235.375 2.000 20 30 BEEDLP C=CC[NH+]1CCC([NH2+][C@H]2CC[C@@H]2SC)CC1 ZINC000425339741 386839304 /nfs/dbraw/zinc/83/93/04/386839304.db2.gz CWRNSGPPCNGLGW-STQMWFEESA-N 2 2 240.416 2.120 20 30 BEEDLP C=C(C)C[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000188802883 387104417 /nfs/dbraw/zinc/10/44/17/387104417.db2.gz RWCDKIKYRUZWGM-UHFFFAOYSA-N 2 2 245.370 2.212 20 30 BEEDLP C=C(Cl)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000267498396 387410714 /nfs/dbraw/zinc/41/07/14/387410714.db2.gz SBKXBELHNLTSGY-UHFFFAOYSA-N 2 2 225.723 2.273 20 30 BEEDLP C=CCC[C@@H]([NH2+]C[C@H](C)[NH3+])c1ccco1 ZINC000643527254 387764306 /nfs/dbraw/zinc/76/43/06/387764306.db2.gz KSKDMQJOWCNTMR-WDEREUQCSA-N 2 2 208.305 2.224 20 30 BEEDLP N#C[C@@H]1CC[C@H]([NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)C1 ZINC000528001152 387808458 /nfs/dbraw/zinc/80/84/58/387808458.db2.gz LPOWCSVSZZBKTP-VNHYZAJKSA-N 2 2 247.386 2.285 20 30 BEEDLP N#C[C@@H]1CC[C@H]([NH2+]C[C@H]2CC[N@H+]2C2CCCC2)C1 ZINC000528001152 387808465 /nfs/dbraw/zinc/80/84/65/387808465.db2.gz LPOWCSVSZZBKTP-VNHYZAJKSA-N 2 2 247.386 2.285 20 30 BEEDLP C=C(C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000423032129 387848260 /nfs/dbraw/zinc/84/82/60/387848260.db2.gz VSLKNOLFQHDNAQ-HIFRSBDPSA-N 2 2 230.355 2.430 20 30 BEEDLP C=C(C[NH2+][C@H](C)[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000423032130 387848783 /nfs/dbraw/zinc/84/87/83/387848783.db2.gz VSLKNOLFQHDNAQ-UKRRQHHQSA-N 2 2 230.355 2.430 20 30 BEEDLP N#C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000442857413 387851194 /nfs/dbraw/zinc/85/11/94/387851194.db2.gz FPRCQWYRRVPASH-UMVBOHGHSA-N 2 2 247.386 2.285 20 30 BEEDLP N#C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCCC[N@H+]2C2CC2)C1 ZINC000442857413 387851198 /nfs/dbraw/zinc/85/11/98/387851198.db2.gz FPRCQWYRRVPASH-UMVBOHGHSA-N 2 2 247.386 2.285 20 30 BEEDLP N#CCC1(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000423096447 387885307 /nfs/dbraw/zinc/88/53/07/387885307.db2.gz OVOCAJXHSBGBFB-ZIAGYGMSSA-N 2 2 241.338 2.415 20 30 BEEDLP C[C@@H]([NH2+]CC(C)(C)CC#N)[C@H]1CCCC[NH2+]1 ZINC000423166077 387949671 /nfs/dbraw/zinc/94/96/71/387949671.db2.gz CEBHQVJXCBJVDA-VXGBXAGGSA-N 2 2 223.364 2.046 20 30 BEEDLP CC1(C#N)CCC([NH2+]CC[NH+]2CCCC2)CC1 ZINC000449218542 388158077 /nfs/dbraw/zinc/15/80/77/388158077.db2.gz JKFDYMUHTLPGMW-UHFFFAOYSA-N 2 2 235.375 2.144 20 30 BEEDLP C[NH+](C)C(C)(C)C[NH2+]C1CCC(C)(C#N)CC1 ZINC000449064988 388138551 /nfs/dbraw/zinc/13/85/51/388138551.db2.gz RJJCSWPUTHGUIC-UHFFFAOYSA-N 2 2 237.391 2.389 20 30 BEEDLP C=C[C@@H]1OCC[C@H]1[NH2+]CCCc1c[nH+]ccc1C ZINC000449519145 388222648 /nfs/dbraw/zinc/22/26/48/388222648.db2.gz LVHROXJTBNQBRX-CABCVRRESA-N 2 2 246.354 2.256 20 30 BEEDLP C#CC[N@@H+](CCc1c[nH+]cn1C)C1CCCCC1 ZINC000491621866 388305619 /nfs/dbraw/zinc/30/56/19/388305619.db2.gz DNMKFZWIBBPVES-UHFFFAOYSA-N 2 2 245.370 2.231 20 30 BEEDLP C#CC[N@H+](CCc1c[nH+]cn1C)C1CCCCC1 ZINC000491621866 388305620 /nfs/dbraw/zinc/30/56/20/388305620.db2.gz DNMKFZWIBBPVES-UHFFFAOYSA-N 2 2 245.370 2.231 20 30 BEEDLP C#CC[N@H+](CCn1cc[nH+]c1)C1CCCCC1 ZINC000491126005 388272230 /nfs/dbraw/zinc/27/22/30/388272230.db2.gz JPWDXFAWLXTHAM-UHFFFAOYSA-N 2 2 231.343 2.151 20 30 BEEDLP C#CC[N@@H+](CCn1cc[nH+]c1)C1CCCCC1 ZINC000491126005 388272232 /nfs/dbraw/zinc/27/22/32/388272232.db2.gz JPWDXFAWLXTHAM-UHFFFAOYSA-N 2 2 231.343 2.151 20 30 BEEDLP C[NH+](C)[C@H]1CCC[C@H]([NH2+]Cc2ccc(C#N)o2)C1 ZINC000175013020 388444821 /nfs/dbraw/zinc/44/48/21/388444821.db2.gz NMTULDXUELDDNO-RYUDHWBXSA-N 2 2 247.342 2.114 20 30 BEEDLP C[C@@H]1C[C@H]([NH2+]Cc2cccc(C#N)c2)CC[N@@H+]1C ZINC000090721805 388485311 /nfs/dbraw/zinc/48/53/11/388485311.db2.gz IEDMVCPJPGMGGU-IUODEOHRSA-N 2 2 243.354 2.131 20 30 BEEDLP C[C@@H]1C[C@H]([NH2+]Cc2cccc(C#N)c2)CC[N@H+]1C ZINC000090721805 388485312 /nfs/dbraw/zinc/48/53/12/388485312.db2.gz IEDMVCPJPGMGGU-IUODEOHRSA-N 2 2 243.354 2.131 20 30 BEEDLP C[C@@H]([NH2+]CCC[NH+](C)C)c1ccc(C#N)cc1F ZINC000358561790 388622568 /nfs/dbraw/zinc/62/25/68/388622568.db2.gz SYRLFVIMRCYJLJ-LLVKDONJSA-N 2 2 249.333 2.300 20 30 BEEDLP C=CCC[C@H](CC)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000154607896 388635058 /nfs/dbraw/zinc/63/50/58/388635058.db2.gz QCQUIKGAZACIEJ-STQMWFEESA-N 2 2 210.365 2.415 20 30 BEEDLP C=CCC[C@H](CC)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000154607896 388635060 /nfs/dbraw/zinc/63/50/60/388635060.db2.gz QCQUIKGAZACIEJ-STQMWFEESA-N 2 2 210.365 2.415 20 30 BEEDLP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000063191726 388660092 /nfs/dbraw/zinc/66/00/92/388660092.db2.gz XVRSTOJMUBGRSL-SWLSCSKDSA-N 2 2 243.354 2.260 20 30 BEEDLP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1 ZINC000063191726 388660094 /nfs/dbraw/zinc/66/00/94/388660094.db2.gz XVRSTOJMUBGRSL-SWLSCSKDSA-N 2 2 243.354 2.260 20 30 BEEDLP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(C#N)o2)CC[N@@H+]1C ZINC000093644186 388745714 /nfs/dbraw/zinc/74/57/14/388745714.db2.gz KUEJTBJIJDVPCY-RYUDHWBXSA-N 2 2 247.342 2.066 20 30 BEEDLP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(C#N)o2)CC[N@H+]1C ZINC000093644186 388745715 /nfs/dbraw/zinc/74/57/15/388745715.db2.gz KUEJTBJIJDVPCY-RYUDHWBXSA-N 2 2 247.342 2.066 20 30 BEEDLP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(C#N)o2)CC[NH+]1C ZINC000093644186 388745716 /nfs/dbraw/zinc/74/57/16/388745716.db2.gz KUEJTBJIJDVPCY-RYUDHWBXSA-N 2 2 247.342 2.066 20 30 BEEDLP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(C#N)o2)CC[NH+]1C ZINC000093644186 388745717 /nfs/dbraw/zinc/74/57/17/388745717.db2.gz KUEJTBJIJDVPCY-RYUDHWBXSA-N 2 2 247.342 2.066 20 30 BEEDLP C[C@@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]1)c1ccc(C#N)cc1 ZINC000422966481 388687013 /nfs/dbraw/zinc/68/70/13/388687013.db2.gz AGXBMTZYZMLCEQ-JMSVASOKSA-N 2 2 243.354 2.349 20 30 BEEDLP C[NH2+]CC[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000423238120 388689924 /nfs/dbraw/zinc/68/99/24/388689924.db2.gz FEZWPBLZINMQPW-HNNXBMFYSA-N 2 2 243.354 2.135 20 30 BEEDLP C[NH2+]CC[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000423238121 388689986 /nfs/dbraw/zinc/68/99/86/388689986.db2.gz FEZWPBLZINMQPW-OAHLLOKOSA-N 2 2 243.354 2.135 20 30 BEEDLP C[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccc(C#N)cc1F ZINC000423266747 388689993 /nfs/dbraw/zinc/68/99/93/388689993.db2.gz CFXHVSIQBYBWSR-OTYXRUKQSA-N 2 2 247.317 2.085 20 30 BEEDLP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000423478515 388693250 /nfs/dbraw/zinc/69/32/50/388693250.db2.gz USFHZMRCRLOMHO-MWLCHTKSSA-N 2 2 235.306 2.085 20 30 BEEDLP N#C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCCn3cc[nH+]c32)C1 ZINC000331625483 134000928 /nfs/dbraw/zinc/00/09/28/134000928.db2.gz YKXBKTYJJKQFBZ-JHJVBQTASA-N 2 2 244.342 2.042 20 30 BEEDLP C=C(Cl)C[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000167736613 134154013 /nfs/dbraw/zinc/15/40/13/134154013.db2.gz PNWDLUAROHDIEY-RYUDHWBXSA-N 2 2 222.719 2.473 20 30 BEEDLP CCC[N@@H+](CC#N)CCCCn1cc[nH+]c1C ZINC000120467246 134229533 /nfs/dbraw/zinc/22/95/33/134229533.db2.gz CREBTJRMTIBPOS-UHFFFAOYSA-N 2 2 234.347 2.207 20 30 BEEDLP CCC[N@H+](CC#N)CCCCn1cc[nH+]c1C ZINC000120467246 134229534 /nfs/dbraw/zinc/22/95/34/134229534.db2.gz CREBTJRMTIBPOS-UHFFFAOYSA-N 2 2 234.347 2.207 20 30 BEEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H](C#N)C2)CC1 ZINC000185815071 134391336 /nfs/dbraw/zinc/39/13/36/134391336.db2.gz NLEZMRZPXDWXSN-UKRRQHHQSA-N 2 2 247.386 2.309 20 30 BEEDLP CC[N@H+](CC[NH2+][C@H]1CCC[C@H](C#N)C1)C1CC1 ZINC000185807452 134391367 /nfs/dbraw/zinc/39/13/67/134391367.db2.gz DFGONDXVTIUMMT-STQMWFEESA-N 2 2 235.375 2.143 20 30 BEEDLP CC[N@@H+](CC[NH2+][C@H]1CCC[C@H](C#N)C1)C1CC1 ZINC000185807452 134391368 /nfs/dbraw/zinc/39/13/68/134391368.db2.gz DFGONDXVTIUMMT-STQMWFEESA-N 2 2 235.375 2.143 20 30 BEEDLP CC1CC[NH+](CC[NH2+][C@H]2CCC[C@H](C#N)C2)CC1 ZINC000185779445 134394820 /nfs/dbraw/zinc/39/48/20/134394820.db2.gz LGROKZGZNKMVBG-GJZGRUSLSA-N 2 2 249.402 2.390 20 30 BEEDLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000248783664 135021355 /nfs/dbraw/zinc/02/13/55/135021355.db2.gz ICRXXAOUYAJOBL-MGPQQGTHSA-N 2 2 235.375 2.143 20 30 BEEDLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000248783664 135021357 /nfs/dbraw/zinc/02/13/57/135021357.db2.gz ICRXXAOUYAJOBL-MGPQQGTHSA-N 2 2 235.375 2.143 20 30 BEEDLP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H](C#N)C2)C[N@@H+]1C1CC1 ZINC000248870535 135023601 /nfs/dbraw/zinc/02/36/01/135023601.db2.gz QNGSKWVUNKUJDI-RFGFWPKPSA-N 2 2 247.386 2.284 20 30 BEEDLP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H](C#N)C2)C[N@H+]1C1CC1 ZINC000248870535 135023602 /nfs/dbraw/zinc/02/36/02/135023602.db2.gz QNGSKWVUNKUJDI-RFGFWPKPSA-N 2 2 247.386 2.284 20 30 BEEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)C(C)(C)OC)CC1 ZINC000340479831 135187037 /nfs/dbraw/zinc/18/70/37/135187037.db2.gz UPNSTFVDJRPRPY-LBPRGKRZSA-N 2 2 240.391 2.040 20 30 BEEDLP C[C@@H](CCC#N)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000298732115 135200123 /nfs/dbraw/zinc/20/01/23/135200123.db2.gz VHVHRZXGQKEFEY-NWDGAFQWSA-N 2 2 232.331 2.281 20 30 BEEDLP C[C@@H](CCC#N)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000298732115 135200125 /nfs/dbraw/zinc/20/01/25/135200125.db2.gz VHVHRZXGQKEFEY-NWDGAFQWSA-N 2 2 232.331 2.281 20 30 BEEDLP C=CCOc1ccccc1C[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000261988099 135269346 /nfs/dbraw/zinc/26/93/46/135269346.db2.gz JZPXYLJACUQCJU-TZMCWYRMSA-N 2 2 246.354 2.030 20 30 BEEDLP C=CCOc1ccccc1C[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000261988099 135269348 /nfs/dbraw/zinc/26/93/48/135269348.db2.gz JZPXYLJACUQCJU-TZMCWYRMSA-N 2 2 246.354 2.030 20 30 BEEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(C)o1 ZINC000295087246 135379114 /nfs/dbraw/zinc/37/91/14/135379114.db2.gz UNDXUOKTUIVXLS-CYBMUJFWSA-N 2 2 234.343 2.194 20 30 BEEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(C)o1 ZINC000295087246 135379115 /nfs/dbraw/zinc/37/91/15/135379115.db2.gz UNDXUOKTUIVXLS-CYBMUJFWSA-N 2 2 234.343 2.194 20 30 BEEDLP C=CCCC[C@H](C)[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000398107950 322864729 /nfs/dbraw/zinc/86/47/29/322864729.db2.gz LNJDUNCOYIFNCC-MELADBBJSA-N 2 2 240.391 2.088 20 30 BEEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccncc2)CC1 ZINC000179387842 166351908 /nfs/dbraw/zinc/35/19/08/166351908.db2.gz ISSKDTMRKCDURY-CYBMUJFWSA-N 2 2 245.370 2.383 20 30 BEEDLP C=CC[C@@H]1CCC[N@H+](CCn2cc[nH+]c2)C1 ZINC000661381498 410596868 /nfs/dbraw/zinc/59/68/68/410596868.db2.gz MHZFTOSVICADTJ-CYBMUJFWSA-N 2 2 219.332 2.171 20 30 BEEDLP C=CC[C@@H]1CCC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000661381498 410596874 /nfs/dbraw/zinc/59/68/74/410596874.db2.gz MHZFTOSVICADTJ-CYBMUJFWSA-N 2 2 219.332 2.171 20 30 BEEDLP C=CCC[C@H]([NH2+][C@@H](C)C[NH2+]C)c1ccco1 ZINC000665298598 410830941 /nfs/dbraw/zinc/83/09/41/410830941.db2.gz YSLOYYHFCKXSIY-RYUDHWBXSA-N 2 2 222.332 2.484 20 30 BEEDLP C=CCC[C@@H]([NH2+][C@@H](C)C[NH2+]C)c1ccco1 ZINC000665298597 410832760 /nfs/dbraw/zinc/83/27/60/410832760.db2.gz YSLOYYHFCKXSIY-NWDGAFQWSA-N 2 2 222.332 2.484 20 30 BEEDLP C=CC[C@@H]1CC[C@H]([NH2+]CCc2cn(C)c[nH+]2)C1 ZINC000651828668 411146545 /nfs/dbraw/zinc/14/65/45/411146545.db2.gz YEHYITNJVRGDFK-OLZOCXBDSA-N 2 2 233.359 2.297 20 30 BEEDLP C=CC[C@@H]1CC[C@H]([NH2+]CC2([NH+](C)C)CC2)C1 ZINC000651833195 411147079 /nfs/dbraw/zinc/14/70/79/411147079.db2.gz TVBJSQGPSJNHBQ-OLZOCXBDSA-N 2 2 222.376 2.415 20 30 BEEDLP C=CC[C@H]1CC[C@@H]([NH2+]CC2([NH+](C)C)CC2)C1 ZINC000651833196 411147140 /nfs/dbraw/zinc/14/71/40/411147140.db2.gz TVBJSQGPSJNHBQ-QWHCGFSZSA-N 2 2 222.376 2.415 20 30 BEEDLP CCC#C[C@H](C)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000653590467 411425676 /nfs/dbraw/zinc/42/56/76/411425676.db2.gz CLYHZMBMISUEEO-STQMWFEESA-N 2 2 231.343 2.011 20 30 BEEDLP CCC#C[C@H](C)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000653590467 411425678 /nfs/dbraw/zinc/42/56/78/411425678.db2.gz CLYHZMBMISUEEO-STQMWFEESA-N 2 2 231.343 2.011 20 30 BEEDLP CC[N@@H+]1CC[C@@H]([NH2+][C@H](C)c2ccc(C#N)cc2)C1 ZINC000328335769 170013601 /nfs/dbraw/zinc/01/36/01/170013601.db2.gz JBWPLKKOTYWYJT-IUODEOHRSA-N 2 2 243.354 2.303 20 30 BEEDLP CC[N@H+]1CC[C@@H]([NH2+][C@H](C)c2ccc(C#N)cc2)C1 ZINC000328335769 170013603 /nfs/dbraw/zinc/01/36/03/170013603.db2.gz JBWPLKKOTYWYJT-IUODEOHRSA-N 2 2 243.354 2.303 20 30 BEEDLP C=CCCC[C@H](C)[N@@H+]1CCn2c[nH+]cc2C1 ZINC000660582137 411603339 /nfs/dbraw/zinc/60/33/39/411603339.db2.gz PANHBCYFMOQSAB-LBPRGKRZSA-N 2 2 219.332 2.444 20 30 BEEDLP C=CCCC[C@H](C)[N@H+]1CCn2c[nH+]cc2C1 ZINC000660582137 411603340 /nfs/dbraw/zinc/60/33/40/411603340.db2.gz PANHBCYFMOQSAB-LBPRGKRZSA-N 2 2 219.332 2.444 20 30 BEEDLP C[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)s2)CC[N@@H+]1C ZINC000135693704 177371063 /nfs/dbraw/zinc/37/10/63/177371063.db2.gz DDOXLMLHTGCNHL-WDEREUQCSA-N 2 2 249.383 2.192 20 30 BEEDLP C[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)s2)CC[N@H+]1C ZINC000135693704 177371065 /nfs/dbraw/zinc/37/10/65/177371065.db2.gz DDOXLMLHTGCNHL-WDEREUQCSA-N 2 2 249.383 2.192 20 30 BEEDLP C=CC1CC[NH+](Cc2c[nH+]c3n2CCC3)CC1 ZINC000667623774 488061576 /nfs/dbraw/zinc/06/15/76/488061576.db2.gz DQAYLGIPIPRJAU-UHFFFAOYSA-N 2 2 231.343 2.227 20 30 BEEDLP C=CCCC[N@@H+](C)Cc1c[nH+]c(C)n1C ZINC000667656471 488076719 /nfs/dbraw/zinc/07/67/19/488076719.db2.gz IEXYACYHODXVHC-UHFFFAOYSA-N 2 2 207.321 2.127 20 30 BEEDLP C=C(CC)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000358491503 534381690 /nfs/dbraw/zinc/38/16/90/534381690.db2.gz NQYYCJBWLAEPLH-UHFFFAOYSA-N 2 2 219.332 2.486 20 30 BEEDLP C=CCCCC[NH2+][C@H]1C[N@H+](CC)C[C@H]1C ZINC000309061515 534693973 /nfs/dbraw/zinc/69/39/73/534693973.db2.gz WXUHJFZRKBAXAS-OLZOCXBDSA-N 2 2 210.365 2.273 20 30 BEEDLP C=CCCCC[NH2+][C@H]1C[N@@H+](CC)C[C@H]1C ZINC000309061515 534693979 /nfs/dbraw/zinc/69/39/79/534693979.db2.gz WXUHJFZRKBAXAS-OLZOCXBDSA-N 2 2 210.365 2.273 20 30 BEEDLP C=CCCCC[NH2+][C@H]1C[N@H+](CC)C[C@@H]1C ZINC000309061517 534694515 /nfs/dbraw/zinc/69/45/15/534694515.db2.gz WXUHJFZRKBAXAS-STQMWFEESA-N 2 2 210.365 2.273 20 30 BEEDLP C=CCCCC[NH2+][C@H]1C[N@@H+](CC)C[C@@H]1C ZINC000309061517 534694525 /nfs/dbraw/zinc/69/45/25/534694525.db2.gz WXUHJFZRKBAXAS-STQMWFEESA-N 2 2 210.365 2.273 20 30 BEEDLP C[N@@H+]1CC[C@@H]2CC[NH+](CC(C)(C)CCC#N)[C@@H]2C1 ZINC000360676337 536463211 /nfs/dbraw/zinc/46/32/11/536463211.db2.gz ZQMQLHFNNODHLQ-ZIAGYGMSSA-N 2 2 249.402 2.342 20 30 BEEDLP C[N@H+]1CC[C@@H]2CC[NH+](CC(C)(C)CCC#N)[C@@H]2C1 ZINC000360676337 536463215 /nfs/dbraw/zinc/46/32/15/536463215.db2.gz ZQMQLHFNNODHLQ-ZIAGYGMSSA-N 2 2 249.402 2.342 20 30 BEEDLP C[NH+]1CC[C@@H]2CC[N@H+](CC(C)(C)CCC#N)[C@@H]2C1 ZINC000360676337 536463218 /nfs/dbraw/zinc/46/32/18/536463218.db2.gz ZQMQLHFNNODHLQ-ZIAGYGMSSA-N 2 2 249.402 2.342 20 30 BEEDLP C[NH+]1CC[C@@H]2CC[N@@H+](CC(C)(C)CCC#N)[C@@H]2C1 ZINC000360676337 536463221 /nfs/dbraw/zinc/46/32/21/536463221.db2.gz ZQMQLHFNNODHLQ-ZIAGYGMSSA-N 2 2 249.402 2.342 20 30 BEEDLP C=CC[NH+](CC=C)Cc1c(C)cc[nH+]c1N ZINC000893871917 583237024 /nfs/dbraw/zinc/23/70/24/583237024.db2.gz NRDMKHQYSFWKIE-UHFFFAOYSA-N 2 2 217.316 2.146 20 30 BEEDLP CC1(C)CC[N@H+](CC[NH2+][C@H]2CCC[C@H](C#N)C2)C1 ZINC000898035551 584079404 /nfs/dbraw/zinc/07/94/04/584079404.db2.gz UXOUCSYCFSEAQC-KBPBESRZSA-N 2 2 249.402 2.390 20 30 BEEDLP CC1(C)CC[N@@H+](CC[NH2+][C@H]2CCC[C@H](C#N)C2)C1 ZINC000898035551 584079406 /nfs/dbraw/zinc/07/94/06/584079406.db2.gz UXOUCSYCFSEAQC-KBPBESRZSA-N 2 2 249.402 2.390 20 30 BEEDLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000898314333 584110742 /nfs/dbraw/zinc/11/07/42/584110742.db2.gz USTMJSLOLCKAIC-RDBSUJKOSA-N 2 2 237.391 2.245 20 30 BEEDLP C=CC(C)(C)[NH2+]Cc1cccc2[nH+]ccn21 ZINC000898457683 584137478 /nfs/dbraw/zinc/13/74/78/584137478.db2.gz RVAGVWLANFICQK-UHFFFAOYSA-N 2 2 215.300 2.389 20 30 BEEDLP C=CCC[C@H]([NH2+]CC1([NH3+])CC1)c1ccco1 ZINC000902406469 584573834 /nfs/dbraw/zinc/57/38/34/584573834.db2.gz MKWJGSXEVHETAO-NSHDSACASA-N 2 2 220.316 2.368 20 30 BEEDLP C[C@H]([NH2+][C@H]1C[NH2+]CC1(C)C)c1cccc(C#N)c1 ZINC000902448150 584604971 /nfs/dbraw/zinc/60/49/71/584604971.db2.gz CZRQPZJNUTXJLS-FZMZJTMJSA-N 2 2 243.354 2.207 20 30 BEEDLP Cc1cc(C#N)cc(C)c1C[N@@H+]1CCC[C@H]([NH3+])C1 ZINC000903420921 584763628 /nfs/dbraw/zinc/76/36/28/584763628.db2.gz GRWTULLMYMAKBE-AWEZNQCLSA-N 2 2 243.354 2.098 20 30 BEEDLP Cc1cc(C#N)cc(C)c1C[N@H+]1CCC[C@H]([NH3+])C1 ZINC000903420921 584763630 /nfs/dbraw/zinc/76/36/30/584763630.db2.gz GRWTULLMYMAKBE-AWEZNQCLSA-N 2 2 243.354 2.098 20 30 BEEDLP Cc1cc(C#N)cc(C)c1C[N@H+]1C[C@H]([NH3+])C[C@H]1C ZINC000903477025 584777382 /nfs/dbraw/zinc/77/73/82/584777382.db2.gz RBXRWHFTKVNMSZ-TZMCWYRMSA-N 2 2 243.354 2.097 20 30 BEEDLP Cc1cc(C#N)cc(C)c1C[N@@H+]1C[C@H]([NH3+])C[C@H]1C ZINC000903477025 584777383 /nfs/dbraw/zinc/77/73/83/584777383.db2.gz RBXRWHFTKVNMSZ-TZMCWYRMSA-N 2 2 243.354 2.097 20 30 BEEDLP C[NH2+]C[C@@H]1CCCC[N@@H+]1CC1CCC(C#N)CC1 ZINC000903527057 584781655 /nfs/dbraw/zinc/78/16/55/584781655.db2.gz RIVNXXIKFZQCAB-NRXISQOPSA-N 2 2 249.402 2.390 20 30 BEEDLP C[NH2+]C[C@@H]1CCCC[N@H+]1CC1CCC(C#N)CC1 ZINC000903527057 584781656 /nfs/dbraw/zinc/78/16/56/584781656.db2.gz RIVNXXIKFZQCAB-NRXISQOPSA-N 2 2 249.402 2.390 20 30 BEEDLP C[C@@H]([NH2+][C@@H]1C[NH2+]C[C@@H](C)C1)c1cccc(C#N)c1 ZINC000903949453 584830121 /nfs/dbraw/zinc/83/01/21/584830121.db2.gz ATVBGDCTPXZVNR-ZOWXZIJZSA-N 2 2 243.354 2.207 20 30 BEEDLP C[C@H]([NH2+][C@@H]1C[NH2+]C[C@@H](C)C1)c1cccc(C#N)c1 ZINC000903949446 584830333 /nfs/dbraw/zinc/83/03/33/584830333.db2.gz ATVBGDCTPXZVNR-HUBLWGQQSA-N 2 2 243.354 2.207 20 30 BEEDLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000774212456 585028045 /nfs/dbraw/zinc/02/80/45/585028045.db2.gz XHBCKEHRWNOTEI-RDBSUJKOSA-N 2 2 235.375 2.143 20 30 BEEDLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000774212456 585028046 /nfs/dbraw/zinc/02/80/46/585028046.db2.gz XHBCKEHRWNOTEI-RDBSUJKOSA-N 2 2 235.375 2.143 20 30 BEEDLP C#CCCC[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000766940176 585511996 /nfs/dbraw/zinc/51/19/96/585511996.db2.gz LPZWFUDUFQBABZ-UHFFFAOYSA-N 2 2 243.354 2.371 20 30 BEEDLP C[NH+](C)Cc1ccc(C[N@H+](C)CCC#N)cc1 ZINC000768137098 585532794 /nfs/dbraw/zinc/53/27/94/585532794.db2.gz KJVGUNYCCXUWHS-UHFFFAOYSA-N 2 2 231.343 2.094 20 30 BEEDLP C[NH+](C)Cc1ccc(C[N@@H+](C)CCC#N)cc1 ZINC000768137098 585532795 /nfs/dbraw/zinc/53/27/95/585532795.db2.gz KJVGUNYCCXUWHS-UHFFFAOYSA-N 2 2 231.343 2.094 20 30 BEEDLP C=C(Cl)C[NH2+][C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000817903583 586835901 /nfs/dbraw/zinc/83/59/01/586835901.db2.gz FWFVEAOWHMVDDS-YPMHNXCESA-N 2 2 238.762 2.287 20 30 BEEDLP CC[N@@H+]1CC[C@H]([NH2+]CC2(C#N)CCC2)[C@@H](C)C1 ZINC000841898943 587982912 /nfs/dbraw/zinc/98/29/12/587982912.db2.gz QRORIJFJLZKRGU-STQMWFEESA-N 2 2 235.375 2.000 20 30 BEEDLP CC[N@H+]1CC[C@H]([NH2+]CC2(C#N)CCC2)[C@@H](C)C1 ZINC000841898943 587982915 /nfs/dbraw/zinc/98/29/15/587982915.db2.gz QRORIJFJLZKRGU-STQMWFEESA-N 2 2 235.375 2.000 20 30 BEEDLP C#CC[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1ccccc1 ZINC000844313427 588183603 /nfs/dbraw/zinc/18/36/03/588183603.db2.gz RMSWYYUCCFJVLO-CVEARBPZSA-N 2 2 242.366 2.435 20 30 BEEDLP C#CC[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000844313427 588183604 /nfs/dbraw/zinc/18/36/04/588183604.db2.gz RMSWYYUCCFJVLO-CVEARBPZSA-N 2 2 242.366 2.435 20 30 BEEDLP C#C[C@H]1CCC[N@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000848923378 588421310 /nfs/dbraw/zinc/42/13/10/588421310.db2.gz CSQYDOLGVMQZAL-ZDUSSCGKSA-N 2 2 239.322 2.180 20 30 BEEDLP C#C[C@H]1CCC[N@@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000848923378 588421312 /nfs/dbraw/zinc/42/13/12/588421312.db2.gz CSQYDOLGVMQZAL-ZDUSSCGKSA-N 2 2 239.322 2.180 20 30 BEEDLP C=C(Cl)C[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000852750139 588699908 /nfs/dbraw/zinc/69/99/08/588699908.db2.gz MGRWLXMDELVDPS-NSHDSACASA-N 2 2 216.756 2.236 20 30 BEEDLP C=C(Cl)C[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000852750138 588699939 /nfs/dbraw/zinc/69/99/39/588699939.db2.gz MGRWLXMDELVDPS-LLVKDONJSA-N 2 2 216.756 2.236 20 30 BEEDLP C#CCCCC[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000120540239 589433614 /nfs/dbraw/zinc/43/36/14/589433614.db2.gz ULOQJVXOJJSKRD-OLZOCXBDSA-N 2 2 220.360 2.005 20 30 BEEDLP C#CCCCC[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000120540239 589433615 /nfs/dbraw/zinc/43/36/15/589433615.db2.gz ULOQJVXOJJSKRD-OLZOCXBDSA-N 2 2 220.360 2.005 20 30 BEEDLP C[C@@H](CCC#N)C[NH2+]CC[N@@H+]1CCC[C@H]1C ZINC000877154744 590293289 /nfs/dbraw/zinc/29/32/89/590293289.db2.gz YQEKFYMCZQCQPF-QWHCGFSZSA-N 2 2 223.364 2.000 20 30 BEEDLP C[C@@H](CCC#N)C[NH2+]CC[N@H+]1CCC[C@H]1C ZINC000877154744 590293290 /nfs/dbraw/zinc/29/32/90/590293290.db2.gz YQEKFYMCZQCQPF-QWHCGFSZSA-N 2 2 223.364 2.000 20 30 BEEDLP C#CCCCCCC[NH2+][C@@H](C)C[NH+](C)C ZINC000877522904 590347223 /nfs/dbraw/zinc/34/72/23/590347223.db2.gz FCEFVSWDBVOOBO-ZDUSSCGKSA-N 2 2 210.365 2.110 20 30 BEEDLP C=CC[C@@H](C)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000878172732 590515437 /nfs/dbraw/zinc/51/54/37/590515437.db2.gz LOSGIJWHUIGNLW-GFCCVEGCSA-N 2 2 219.332 2.485 20 30 BEEDLP C=C(C)CC[NH+]1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000880136688 590940204 /nfs/dbraw/zinc/94/02/04/590940204.db2.gz QDLRGBLRLZMSOJ-QWHCGFSZSA-N 2 2 208.349 2.121 20 30 BEEDLP C=C(C)CC[NH+]1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000880136688 590940206 /nfs/dbraw/zinc/94/02/06/590940206.db2.gz QDLRGBLRLZMSOJ-QWHCGFSZSA-N 2 2 208.349 2.121 20 30 BEEDLP C=C(C)CC[N@H+]1CC[C@H]2[C@H]1CCC[NH+]2C ZINC000880136688 590940207 /nfs/dbraw/zinc/94/02/07/590940207.db2.gz QDLRGBLRLZMSOJ-QWHCGFSZSA-N 2 2 208.349 2.121 20 30 BEEDLP C=C(C)CC[N@@H+]1CC[C@H]2[C@H]1CCC[NH+]2C ZINC000880136688 590940209 /nfs/dbraw/zinc/94/02/09/590940209.db2.gz QDLRGBLRLZMSOJ-QWHCGFSZSA-N 2 2 208.349 2.121 20 30 BEEDLP C=C(C)CC[NH+]1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000880136686 590940797 /nfs/dbraw/zinc/94/07/97/590940797.db2.gz QDLRGBLRLZMSOJ-CHWSQXEVSA-N 2 2 208.349 2.121 20 30 BEEDLP C=C(C)CC[NH+]1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000880136686 590940800 /nfs/dbraw/zinc/94/08/00/590940800.db2.gz QDLRGBLRLZMSOJ-CHWSQXEVSA-N 2 2 208.349 2.121 20 30 BEEDLP C=C(C)CC[N@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC000880136686 590940801 /nfs/dbraw/zinc/94/08/01/590940801.db2.gz QDLRGBLRLZMSOJ-CHWSQXEVSA-N 2 2 208.349 2.121 20 30 BEEDLP C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC000880136686 590940804 /nfs/dbraw/zinc/94/08/04/590940804.db2.gz QDLRGBLRLZMSOJ-CHWSQXEVSA-N 2 2 208.349 2.121 20 30 BEEDLP C=C(Cl)C[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886874037 592377615 /nfs/dbraw/zinc/37/76/15/592377615.db2.gz FBISRNDBYWAHJJ-LBPRGKRZSA-N 2 2 228.767 2.205 20 30 BEEDLP C=C(Cl)C[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886874037 592377620 /nfs/dbraw/zinc/37/76/20/592377620.db2.gz FBISRNDBYWAHJJ-LBPRGKRZSA-N 2 2 228.767 2.205 20 30 BEEDLP C=CCOCCC[NH2+][C@@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925709789 634407041 /nfs/dbraw/zinc/40/70/41/634407041.db2.gz OLOSYSWFVNNYIY-DZGCQCFKSA-N 2 2 248.370 2.257 20 30 BEEDLP N#CC1(C[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)CCCCC1 ZINC000925711642 634412494 /nfs/dbraw/zinc/41/24/94/634412494.db2.gz ZGQAZQOAXSVFSE-CHWSQXEVSA-N 2 2 247.386 2.320 20 30 BEEDLP C[C@H](CC(C)(C)C#N)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000926228423 631486117 /nfs/dbraw/zinc/48/61/17/631486117.db2.gz HRXWSFNQNHFTCQ-VXGBXAGGSA-N 2 2 246.358 2.116 20 30 BEEDLP C=CCC[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000926684656 632819451 /nfs/dbraw/zinc/81/94/51/632819451.db2.gz HVSWOFOFPNHAHH-STQMWFEESA-N 2 2 208.349 2.169 20 30 BEEDLP C=CCC[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000926684656 632819452 /nfs/dbraw/zinc/81/94/52/632819452.db2.gz HVSWOFOFPNHAHH-STQMWFEESA-N 2 2 208.349 2.169 20 30 BEEDLP C=CCC[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000926684653 632820019 /nfs/dbraw/zinc/82/00/19/632820019.db2.gz HVSWOFOFPNHAHH-CHWSQXEVSA-N 2 2 208.349 2.169 20 30 BEEDLP C=CCC[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000926684653 632820022 /nfs/dbraw/zinc/82/00/22/632820022.db2.gz HVSWOFOFPNHAHH-CHWSQXEVSA-N 2 2 208.349 2.169 20 30 BEEDLP Cc1ccc(C[NH2+][C@@H]2CCC[NH2+][C@@H]2C)cc1C#N ZINC000925838330 635497922 /nfs/dbraw/zinc/49/79/22/635497922.db2.gz LRAJHXWITZIADL-IUODEOHRSA-N 2 2 243.354 2.097 20 30 BEEDLP CC(C)[N@H+](C)CCC[NH2+]CC#Cc1ccccc1 ZINC000226392716 640758192 /nfs/dbraw/zinc/75/81/92/640758192.db2.gz QICLSNSAHKZVKX-UHFFFAOYSA-N 2 2 244.382 2.358 20 30 BEEDLP CC(C)[N@@H+](C)CCC[NH2+]CC#Cc1ccccc1 ZINC000226392716 640758194 /nfs/dbraw/zinc/75/81/94/640758194.db2.gz QICLSNSAHKZVKX-UHFFFAOYSA-N 2 2 244.382 2.358 20 30 BEEDLP C[C@H](CC[NH+](C)C)[NH2+]Cc1csc(C#N)c1 ZINC000921618686 643624107 /nfs/dbraw/zinc/62/41/07/643624107.db2.gz KGBXVEPIZJBCID-SNVBAGLBSA-N 2 2 237.372 2.050 20 30 BEEDLP C[C@H](CC[NH2+]Cc1csc(C#N)c1)[NH+](C)C ZINC000922254815 643924566 /nfs/dbraw/zinc/92/45/66/643924566.db2.gz NPSSMOBKVJDUON-SNVBAGLBSA-N 2 2 237.372 2.050 20 30 BEEDLP C[C@@H](CC[NH2+]Cc1csc(C#N)c1)[NH+](C)C ZINC000922254814 643925516 /nfs/dbraw/zinc/92/55/16/643925516.db2.gz NPSSMOBKVJDUON-JTQLQIEISA-N 2 2 237.372 2.050 20 30 BEEDLP C=CCCCCC[C@@H](C)[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000817984183 644994940 /nfs/dbraw/zinc/99/49/40/644994940.db2.gz VTLHVIDRXXSGSW-ZIAGYGMSSA-N 2 2 240.391 2.089 20 30 BEEDLP C#CCCCCCC[NH2+]C(C)(C)C[NH+](C)C ZINC000877578543 645800290 /nfs/dbraw/zinc/80/02/90/645800290.db2.gz DJWYJKOAQLOQGC-UHFFFAOYSA-N 2 2 224.392 2.500 20 30 BEEDLP C=C(C[NH2+][C@@H]1CCC[NH2+][C@H]1C)c1ccccc1 ZINC000925636198 646379795 /nfs/dbraw/zinc/37/97/95/646379795.db2.gz RRDRDNAZQPXIKB-DZGCQCFKSA-N 2 2 230.355 2.430 20 30 BEEDLP N#CCC1(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000926344239 646621595 /nfs/dbraw/zinc/62/15/95/646621595.db2.gz JPBAUFFDTUNFBY-KBPBESRZSA-N 2 2 247.386 2.287 20 30 BEEDLP N#CCC1(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000926344239 646621600 /nfs/dbraw/zinc/62/16/00/646621600.db2.gz JPBAUFFDTUNFBY-KBPBESRZSA-N 2 2 247.386 2.287 20 30 BEEDLP C[C@@H](CC(C)(C)C#N)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000926449363 646641692 /nfs/dbraw/zinc/64/16/92/646641692.db2.gz FSEPTMPCYJNZOV-WDEREUQCSA-N 2 2 246.358 2.185 20 30 BEEDLP C[C@@H](CC(C)(C)C#N)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000926449362 646642562 /nfs/dbraw/zinc/64/25/62/646642562.db2.gz FSEPTMPCYJNZOV-QWRGUYRKSA-N 2 2 246.358 2.185 20 30 BEEDLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCC(C)(C)C#N ZINC000718920384 712787867 /nfs/dbraw/zinc/78/78/67/712787867.db2.gz XKWQCTCRPIAKAY-QWHCGFSZSA-N 2 2 235.375 2.095 20 30 BEEDLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCC(C)(C)C#N ZINC000718920384 712787869 /nfs/dbraw/zinc/78/78/69/712787869.db2.gz XKWQCTCRPIAKAY-QWHCGFSZSA-N 2 2 235.375 2.095 20 30 BEEDLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2CCC(C)(C)C#N ZINC000718920384 712787871 /nfs/dbraw/zinc/78/78/71/712787871.db2.gz XKWQCTCRPIAKAY-QWHCGFSZSA-N 2 2 235.375 2.095 20 30 BEEDLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2CCC(C)(C)C#N ZINC000718920384 712787873 /nfs/dbraw/zinc/78/78/73/712787873.db2.gz XKWQCTCRPIAKAY-QWHCGFSZSA-N 2 2 235.375 2.095 20 30 BEEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CC[C@@H]2C)CC1 ZINC000380253021 712846283 /nfs/dbraw/zinc/84/62/83/712846283.db2.gz PQTJWYRBRDFSMH-WCQYABFASA-N 2 2 208.349 2.025 20 30 BEEDLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H](C)CC(C)(C)C#N)C1 ZINC000709978611 712236503 /nfs/dbraw/zinc/23/65/03/712236503.db2.gz WVKNTGSKJKTNRR-CHWSQXEVSA-N 2 2 237.391 2.389 20 30 BEEDLP CCC[N@H+]1CC[C@@H]([NH2+][C@H](C)CC(C)(C)C#N)C1 ZINC000709978611 712236504 /nfs/dbraw/zinc/23/65/04/712236504.db2.gz WVKNTGSKJKTNRR-CHWSQXEVSA-N 2 2 237.391 2.389 20 30 BEEDLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)CC(C)(C)C#N)C1 ZINC000709978618 712236721 /nfs/dbraw/zinc/23/67/21/712236721.db2.gz WVKNTGSKJKTNRR-STQMWFEESA-N 2 2 237.391 2.389 20 30 BEEDLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](C)CC(C)(C)C#N)C1 ZINC000709978618 712236723 /nfs/dbraw/zinc/23/67/23/712236723.db2.gz WVKNTGSKJKTNRR-STQMWFEESA-N 2 2 237.391 2.389 20 30 BEEDLP C[N@@H+]1CCC[C@H]2[C@H]1CC[NH+]2CCC(C)(C)C#N ZINC000720351738 712832793 /nfs/dbraw/zinc/83/27/93/712832793.db2.gz FMZYAVTYDLXHHZ-OLZOCXBDSA-N 2 2 235.375 2.095 20 30 BEEDLP C[N@H+]1CCC[C@H]2[C@H]1CC[NH+]2CCC(C)(C)C#N ZINC000720351738 712832794 /nfs/dbraw/zinc/83/27/94/712832794.db2.gz FMZYAVTYDLXHHZ-OLZOCXBDSA-N 2 2 235.375 2.095 20 30 BEEDLP C[NH+]1CCC[C@H]2[C@H]1CC[N@@H+]2CCC(C)(C)C#N ZINC000720351738 712832795 /nfs/dbraw/zinc/83/27/95/712832795.db2.gz FMZYAVTYDLXHHZ-OLZOCXBDSA-N 2 2 235.375 2.095 20 30 BEEDLP C[NH+]1CCC[C@H]2[C@H]1CC[N@H+]2CCC(C)(C)C#N ZINC000720351738 712832796 /nfs/dbraw/zinc/83/27/96/712832796.db2.gz FMZYAVTYDLXHHZ-OLZOCXBDSA-N 2 2 235.375 2.095 20 30 BEEDLP C[C@H](CCCC#N)[NH2+]CC[NH+]1CCC(C)CC1 ZINC001172476657 974774714 /nfs/dbraw/zinc/77/47/14/974774714.db2.gz PLKDFYDOCVISRH-CQSZACIVSA-N 2 2 237.391 2.390 20 30 BEEDLP C[C@H](CCCC#N)[NH2+][C@H]1CC[N@@H+](C2CCC2)C1 ZINC001172487798 974832184 /nfs/dbraw/zinc/83/21/84/974832184.db2.gz JMEFQLBTAHPTRM-OLZOCXBDSA-N 2 2 235.375 2.285 20 30 BEEDLP C[C@H](CCCC#N)[NH2+][C@H]1CC[N@H+](C2CCC2)C1 ZINC001172487798 974832187 /nfs/dbraw/zinc/83/21/87/974832187.db2.gz JMEFQLBTAHPTRM-OLZOCXBDSA-N 2 2 235.375 2.285 20 30 BEEDLP CC(C)C[NH+]1CCC([NH2+]CC2(C#N)CCC2)CC1 ZINC001258001291 971552454 /nfs/dbraw/zinc/55/24/54/971552454.db2.gz IRZXZHBXNTYKQR-UHFFFAOYSA-N 2 2 249.402 2.390 20 30 BEEDLP C#Cc1cccc(C[NH+]2CCC([NH+](C)C)CC2)c1 ZINC001231657095 1169678483 /nfs/dbraw/zinc/67/84/83/1169678483.db2.gz XLCHNIGFWOVQDQ-UHFFFAOYSA-N 2 2 242.366 2.194 20 30 BEEDLP CC[NH+](CC)CC[NH2+][C@H](C)CC(C)(C)C#N ZINC000695779530 960455232 /nfs/dbraw/zinc/45/52/32/960455232.db2.gz QATQMYDTLYLXDJ-GFCCVEGCSA-N 2 2 225.380 2.246 20 30 BEEDLP C=CCCC[NH+]1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000880130051 963049893 /nfs/dbraw/zinc/04/98/93/963049893.db2.gz BUFXIZXEVSIRRA-QWHCGFSZSA-N 2 2 208.349 2.121 20 30 BEEDLP C=CCCC[NH+]1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000880130051 963049904 /nfs/dbraw/zinc/04/99/04/963049904.db2.gz BUFXIZXEVSIRRA-QWHCGFSZSA-N 2 2 208.349 2.121 20 30 BEEDLP C=CCCC[N@H+]1CC[C@H]2[C@H]1CCC[NH+]2C ZINC000880130051 963049918 /nfs/dbraw/zinc/04/99/18/963049918.db2.gz BUFXIZXEVSIRRA-QWHCGFSZSA-N 2 2 208.349 2.121 20 30 BEEDLP C=CCCC[N@@H+]1CC[C@H]2[C@H]1CCC[NH+]2C ZINC000880130051 963049933 /nfs/dbraw/zinc/04/99/33/963049933.db2.gz BUFXIZXEVSIRRA-QWHCGFSZSA-N 2 2 208.349 2.121 20 30 BEEDLP CC(C)C[C@@H](C#N)[NH2+]C1CCC([NH+](C)C)CC1 ZINC001168304110 964395329 /nfs/dbraw/zinc/39/53/29/964395329.db2.gz PRTSJWPUPKYOMV-MOKVOYLWSA-N 2 2 237.391 2.387 20 30 BEEDLP C#Cc1ccc(C[N@H+]2C[C@H](C)CC[C@@H]2C[NH3+])cc1 ZINC001205831073 967841393 /nfs/dbraw/zinc/84/13/93/967841393.db2.gz WEZHZHNVCQESLI-CZUORRHYSA-N 2 2 242.366 2.227 20 30 BEEDLP C#Cc1cccc(C[N@@H+]2C[C@H](C)CC[C@@H]2C[NH3+])c1 ZINC001205828775 967843169 /nfs/dbraw/zinc/84/31/69/967843169.db2.gz MYUDZGPUAUUYBS-CZUORRHYSA-N 2 2 242.366 2.227 20 30 BEEDLP C#Cc1cccc(C[N@H+]2C[C@H](C)CC[C@@H]2C[NH3+])c1 ZINC001205828775 967843171 /nfs/dbraw/zinc/84/31/71/967843171.db2.gz MYUDZGPUAUUYBS-CZUORRHYSA-N 2 2 242.366 2.227 20 30 BEEDLP C[NH+](C)CCC[N@H+](C)Cc1cc(F)cc(C#N)c1 ZINC000163618080 967877936 /nfs/dbraw/zinc/87/79/36/967877936.db2.gz NURQUBKKVWQMGV-UHFFFAOYSA-N 2 2 249.333 2.081 20 30 BEEDLP C[NH+](C)CCC[N@@H+](C)Cc1cc(F)cc(C#N)c1 ZINC000163618080 967877938 /nfs/dbraw/zinc/87/79/38/967877938.db2.gz NURQUBKKVWQMGV-UHFFFAOYSA-N 2 2 249.333 2.081 20 30 BEEDLP C=C(C)c1ccccc1C[N@@H+]1CC[C@@H]([NH3+])C1 ZINC001240836346 968747825 /nfs/dbraw/zinc/74/78/25/968747825.db2.gz DIRFIGDINZPTAO-CYBMUJFWSA-N 2 2 216.328 2.253 20 30 BEEDLP C=C(C)c1ccccc1C[N@H+]1CC[C@@H]([NH3+])C1 ZINC001240836346 968747833 /nfs/dbraw/zinc/74/78/33/968747833.db2.gz DIRFIGDINZPTAO-CYBMUJFWSA-N 2 2 216.328 2.253 20 30 BEEDLP C[N@@H+]1CCC[C@@H](C[NH+](CCC#N)C2CCCC2)C1 ZINC001208610146 969169210 /nfs/dbraw/zinc/16/92/10/969169210.db2.gz YWUCQJCXBFOVGF-CQSZACIVSA-N 2 2 249.402 2.486 20 30 BEEDLP C[N@H+]1CCC[C@@H](C[NH+](CCC#N)C2CCCC2)C1 ZINC001208610146 969169212 /nfs/dbraw/zinc/16/92/12/969169212.db2.gz YWUCQJCXBFOVGF-CQSZACIVSA-N 2 2 249.402 2.486 20 30 BEEDLP C[NH+]1CCC[C@@H](C[N@H+](CCC#N)C2CCCC2)C1 ZINC001208610146 969169218 /nfs/dbraw/zinc/16/92/18/969169218.db2.gz YWUCQJCXBFOVGF-CQSZACIVSA-N 2 2 249.402 2.486 20 30 BEEDLP C[NH+]1CCC[C@@H](C[N@@H+](CCC#N)C2CCCC2)C1 ZINC001208610146 969169219 /nfs/dbraw/zinc/16/92/19/969169219.db2.gz YWUCQJCXBFOVGF-CQSZACIVSA-N 2 2 249.402 2.486 20 30 BEEDLP C[N@@H+]1CCC[C@H](C[NH+](CCC#N)C2CCCC2)C1 ZINC001208610145 969170619 /nfs/dbraw/zinc/17/06/19/969170619.db2.gz YWUCQJCXBFOVGF-AWEZNQCLSA-N 2 2 249.402 2.486 20 30 BEEDLP C[N@H+]1CCC[C@H](C[NH+](CCC#N)C2CCCC2)C1 ZINC001208610145 969170628 /nfs/dbraw/zinc/17/06/28/969170628.db2.gz YWUCQJCXBFOVGF-AWEZNQCLSA-N 2 2 249.402 2.486 20 30 BEEDLP C[NH+]1CCC[C@H](C[N@H+](CCC#N)C2CCCC2)C1 ZINC001208610145 969170635 /nfs/dbraw/zinc/17/06/35/969170635.db2.gz YWUCQJCXBFOVGF-AWEZNQCLSA-N 2 2 249.402 2.486 20 30 BEEDLP C[NH+]1CCC[C@H](C[N@@H+](CCC#N)C2CCCC2)C1 ZINC001208610145 969170638 /nfs/dbraw/zinc/17/06/38/969170638.db2.gz YWUCQJCXBFOVGF-AWEZNQCLSA-N 2 2 249.402 2.486 20 30 BEEDLP C#Cc1ccc(C[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC001144567625 972875546 /nfs/dbraw/zinc/87/55/46/972875546.db2.gz VLPRJBQADFSBKG-UHFFFAOYSA-N 2 2 242.366 2.194 20 30 BEEDLP C#Cc1ccc(C[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC001144567625 972875559 /nfs/dbraw/zinc/87/55/59/972875559.db2.gz VLPRJBQADFSBKG-UHFFFAOYSA-N 2 2 242.366 2.194 20 30 BEEDLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC[C@@](C)(C#N)C1)C2 ZINC001172130398 974356649 /nfs/dbraw/zinc/35/66/49/974356649.db2.gz OQRHJHLIKYETJN-YJNKXOJESA-N 2 2 247.386 2.237 20 30 BEEDLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC[C@@](C)(C#N)C1)C2 ZINC001172130398 974356660 /nfs/dbraw/zinc/35/66/60/974356660.db2.gz OQRHJHLIKYETJN-YJNKXOJESA-N 2 2 247.386 2.237 20 30 BEEDLP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CC[C@@](C)(C#N)C1)C2 ZINC001172130398 974356668 /nfs/dbraw/zinc/35/66/68/974356668.db2.gz OQRHJHLIKYETJN-YJNKXOJESA-N 2 2 247.386 2.237 20 30 BEEDLP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CC[C@@](C)(C#N)C1)C2 ZINC001172130398 974356677 /nfs/dbraw/zinc/35/66/77/974356677.db2.gz OQRHJHLIKYETJN-YJNKXOJESA-N 2 2 247.386 2.237 20 30 BEEDLP CC[C@H](CC#N)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172104706 974370175 /nfs/dbraw/zinc/37/01/75/974370175.db2.gz CKLLSMIYDRCWTN-YIYPIFLZSA-N 2 2 235.375 2.284 20 30 BEEDLP CC[C@H](CC#N)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172104706 974370186 /nfs/dbraw/zinc/37/01/86/974370186.db2.gz CKLLSMIYDRCWTN-YIYPIFLZSA-N 2 2 235.375 2.284 20 30 BEEDLP C[C@H](CCCC#N)[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC001172486234 974790858 /nfs/dbraw/zinc/79/08/58/974790858.db2.gz AJFRCDYTFQDLNF-OCCSQVGLSA-N 2 2 235.375 2.143 20 30 BEEDLP C[C@H](CCCC#N)[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC001172486234 974790862 /nfs/dbraw/zinc/79/08/62/974790862.db2.gz AJFRCDYTFQDLNF-OCCSQVGLSA-N 2 2 235.375 2.143 20 30 BEEDLP N#CCC1CCC([NH2+]CC[NH+]2CCCC2)CC1 ZINC001173325694 975273659 /nfs/dbraw/zinc/27/36/59/975273659.db2.gz PQKPZKGGMVUYST-UHFFFAOYSA-N 2 2 235.375 2.144 20 30 BEEDLP C#CCCC[NH+]1CC2(C1)CC[N@@H+](C1CCCC1)C2 ZINC001275975741 984757707 /nfs/dbraw/zinc/75/77/07/984757707.db2.gz MYGYJIOQTMFUJJ-UHFFFAOYSA-N 2 2 246.398 2.350 20 30 BEEDLP C#CCCC[NH+]1CC2(C1)CC[N@H+](C1CCCC1)C2 ZINC001275975741 984757736 /nfs/dbraw/zinc/75/77/36/984757736.db2.gz MYGYJIOQTMFUJJ-UHFFFAOYSA-N 2 2 246.398 2.350 20 30 BEEDLP C=CCCCCCC[C@@H](O)C[NH2+]CC[NH2+]CC ZINC001245996597 987280869 /nfs/dbraw/zinc/28/08/69/987280869.db2.gz VVJIOLTXFVBNPI-CQSZACIVSA-N 2 2 242.407 2.073 20 30 BEEDLP CCCCCCC[C@H](C)[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC001246086090 987385570 /nfs/dbraw/zinc/38/55/70/987385570.db2.gz BUCGLLFTIGDLAZ-KBPBESRZSA-N 2 2 242.407 2.313 20 30 BEEDLP CCCCCCC[C@@H](C)[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC001246086092 987385875 /nfs/dbraw/zinc/38/58/75/987385875.db2.gz BUCGLLFTIGDLAZ-KGLIPLIRSA-N 2 2 242.407 2.313 20 30 BEEDLP CCCCCCC[C@H](C)[NH2+][C@H]1C[NH2+]CCOC1 ZINC001246093249 987402986 /nfs/dbraw/zinc/40/29/86/987402986.db2.gz MSORXMNYTGCVIR-KBPBESRZSA-N 2 2 242.407 2.313 20 30 BEEDLP CCCCCCC[C@H](C)[NH2+][C@H]1C[NH2+]C[C@@H]1OC ZINC001246240903 987643461 /nfs/dbraw/zinc/64/34/61/987643461.db2.gz SBWLYCLRPXZSTR-IHRRRGAJSA-N 2 2 242.407 2.312 20 30 BEEDLP C[C@@H](CCCC#N)[NH2+][C@H](C[NH3+])c1ccccc1 ZINC001246508584 987861856 /nfs/dbraw/zinc/86/18/56/987861856.db2.gz UMXDNAVWMOGIAH-GXTWGEPZSA-N 2 2 231.343 2.358 20 30 BEEDLP CCCC[N@H+](CCC#N)[C@H]1CC[NH2+][C@H](C)C1 ZINC001246769472 988453720 /nfs/dbraw/zinc/45/37/20/988453720.db2.gz KLIFTCJJAHIXKG-OLZOCXBDSA-N 2 2 223.364 2.143 20 30 BEEDLP CCCC[N@@H+](CCC#N)[C@H]1CC[NH2+][C@H](C)C1 ZINC001246769472 988453731 /nfs/dbraw/zinc/45/37/31/988453731.db2.gz KLIFTCJJAHIXKG-OLZOCXBDSA-N 2 2 223.364 2.143 20 30 BEEDLP C=CCC[C@@H](C)n1c(C)[nH+]c2c1CC[NH2+]CC2 ZINC001258727703 991668427 /nfs/dbraw/zinc/66/84/27/991668427.db2.gz ILKDDOXGIWUVQT-LLVKDONJSA-N 2 2 233.359 2.407 20 30 BEEDLP CC[NH+](CC)CCC[C@H](C)[NH+]1CC(C)(C#N)C1 ZINC001258907027 991890757 /nfs/dbraw/zinc/89/07/57/991890757.db2.gz DBXLPTDWDDTXQJ-ZDUSSCGKSA-N 2 2 237.391 2.342 20 30 BEEDLP CC1(C)CCC[N@H+](CC[C@@H]2CCC[NH2+]C2)[C@H]1C#N ZINC001576433791 993305389 /nfs/dbraw/zinc/30/53/89/993305389.db2.gz KASMAYCLTYKAPZ-KBPBESRZSA-N 2 2 249.402 2.390 20 30 BEEDLP CC1(C)CCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)[C@H]1C#N ZINC001576433791 993305393 /nfs/dbraw/zinc/30/53/93/993305393.db2.gz KASMAYCLTYKAPZ-KBPBESRZSA-N 2 2 249.402 2.390 20 30 BEEDLP C=CC[NH+]1CCC([NH2+][C@H](C)[C@H]2C[C@@H]2C)CC1 ZINC000414129845 398218069 /nfs/dbraw/zinc/21/80/69/398218069.db2.gz VNKJUODKGBBVTM-SCRDCRAPSA-N 2 2 222.376 2.271 20 30 BEEDLP CC[N@H+](CC[NH2+]C[C@@H](C)CCC#N)C1CC1 ZINC000602525740 349577400 /nfs/dbraw/zinc/57/74/00/349577400.db2.gz IGWQXQFEDPXAOV-LBPRGKRZSA-N 2 2 223.364 2.000 20 30 BEEDLP CC[N@@H+](CC[NH2+]C[C@@H](C)CCC#N)C1CC1 ZINC000602525740 349577404 /nfs/dbraw/zinc/57/74/04/349577404.db2.gz IGWQXQFEDPXAOV-LBPRGKRZSA-N 2 2 223.364 2.000 20 30 BEEDLP CC[N@H+](CC[NH2+]C1CCC(C#N)CC1)C1CC1 ZINC000602525032 349577558 /nfs/dbraw/zinc/57/75/58/349577558.db2.gz DIFIZRZTISBTDA-UHFFFAOYSA-N 2 2 235.375 2.143 20 30 BEEDLP CC[N@@H+](CC[NH2+]C1CCC(C#N)CC1)C1CC1 ZINC000602525032 349577562 /nfs/dbraw/zinc/57/75/62/349577562.db2.gz DIFIZRZTISBTDA-UHFFFAOYSA-N 2 2 235.375 2.143 20 30 BEEDLP C[C@H](CCC#N)C[NH2+]CC[N@@H+]1CCC[C@H](C)C1 ZINC000602514577 349586798 /nfs/dbraw/zinc/58/67/98/349586798.db2.gz LCCNYGGNDXNJQV-KGLIPLIRSA-N 2 2 237.391 2.248 20 30 BEEDLP C[C@H](CCC#N)C[NH2+]CC[N@H+]1CCC[C@H](C)C1 ZINC000602514577 349586800 /nfs/dbraw/zinc/58/68/00/349586800.db2.gz LCCNYGGNDXNJQV-KGLIPLIRSA-N 2 2 237.391 2.248 20 30 BEEDLP C[C@H]1CCC[N@H+](CC[NH2+]C2CCC(C#N)CC2)C1 ZINC000602514533 349586826 /nfs/dbraw/zinc/58/68/26/349586826.db2.gz KQLLFFMHBKZXFJ-NFOMZHRRSA-N 2 2 249.402 2.390 20 30 BEEDLP C[C@H]1CCC[N@@H+](CC[NH2+]C2CCC(C#N)CC2)C1 ZINC000602514533 349586828 /nfs/dbraw/zinc/58/68/28/349586828.db2.gz KQLLFFMHBKZXFJ-NFOMZHRRSA-N 2 2 249.402 2.390 20 30 BEEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2c[nH]nc2C)CC1 ZINC000180489345 538958603 /nfs/dbraw/zinc/95/86/03/538958603.db2.gz BZWUEKKQKQNKDY-NSHDSACASA-N 2 2 248.374 2.019 20 30 BEEDLP CC[C@H](CC#N)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000600153294 342692020 /nfs/dbraw/zinc/69/20/20/342692020.db2.gz YBZZLYJSPXFPJS-VXGBXAGGSA-N 2 2 223.364 2.141 20 30 BEEDLP CC[C@H](CC#N)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000600153294 342692022 /nfs/dbraw/zinc/69/20/22/342692022.db2.gz YBZZLYJSPXFPJS-VXGBXAGGSA-N 2 2 223.364 2.141 20 30 BEEDLP CCC[NH+]1CCC([NH2+]CC(C)(C)C#N)CC1 ZINC000164956408 342859980 /nfs/dbraw/zinc/85/99/80/342859980.db2.gz VCJUYVPOLDCFGQ-UHFFFAOYSA-N 2 2 223.364 2.000 20 30 BEEDLP C[C@H](CCC#N)C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000602667509 349684863 /nfs/dbraw/zinc/68/48/63/349684863.db2.gz QBDBRZHEITUILU-CHWSQXEVSA-N 2 2 246.358 2.149 20 30 BEEDLP C[C@H](CCC#N)C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000602667509 349684867 /nfs/dbraw/zinc/68/48/67/349684867.db2.gz QBDBRZHEITUILU-CHWSQXEVSA-N 2 2 246.358 2.149 20 30 BEEDLP C[C@H](CCC#N)C[N@H+](C)CCCn1cc[nH+]c1 ZINC000602662307 349681860 /nfs/dbraw/zinc/68/18/60/349681860.db2.gz KOWMVTVJXPVERT-CYBMUJFWSA-N 2 2 234.347 2.145 20 30 BEEDLP C[C@H](CCC#N)C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000602662307 349681864 /nfs/dbraw/zinc/68/18/64/349681864.db2.gz KOWMVTVJXPVERT-CYBMUJFWSA-N 2 2 234.347 2.145 20 30 BEEDLP C[C@@H](CCC#N)C[N@H+](C)CCCn1cc[nH+]c1 ZINC000602662308 349682334 /nfs/dbraw/zinc/68/23/34/349682334.db2.gz KOWMVTVJXPVERT-ZDUSSCGKSA-N 2 2 234.347 2.145 20 30 BEEDLP C[C@@H](CCC#N)C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000602662308 349682337 /nfs/dbraw/zinc/68/23/37/349682337.db2.gz KOWMVTVJXPVERT-ZDUSSCGKSA-N 2 2 234.347 2.145 20 30 BEEDLP C=CC[NH2+]CC[N@@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC000053385546 1172027496 /nfs/dbraw/zinc/02/74/96/1172027496.db2.gz JCFANXZJSIJZJX-ZIAGYGMSSA-N 2 2 222.376 2.274 20 30 BEEDLP C=CC[NH2+]CC[N@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC000053385546 1172027501 /nfs/dbraw/zinc/02/75/01/1172027501.db2.gz JCFANXZJSIJZJX-ZIAGYGMSSA-N 2 2 222.376 2.274 20 30 BEEDLP Cc1cc(C[NH2+][C@@H]2CCC[N@@H+](C)C2)ccc1C#N ZINC000618191997 343578937 /nfs/dbraw/zinc/57/89/37/343578937.db2.gz DHJQQXYHBJDZGZ-OAHLLOKOSA-N 2 2 243.354 2.051 20 30 BEEDLP Cc1cc(C[NH2+][C@@H]2CCC[N@H+](C)C2)ccc1C#N ZINC000618191997 343578940 /nfs/dbraw/zinc/57/89/40/343578940.db2.gz DHJQQXYHBJDZGZ-OAHLLOKOSA-N 2 2 243.354 2.051 20 30 BEEDLP CCC[N@@H+]1CC[C@H]([NH2+]CC(C)(C)CCC#N)C1 ZINC000389264426 343685639 /nfs/dbraw/zinc/68/56/39/343685639.db2.gz PJEQBKRVCGLDOD-ZDUSSCGKSA-N 2 2 237.391 2.390 20 30 BEEDLP CCC[N@H+]1CC[C@H]([NH2+]CC(C)(C)CCC#N)C1 ZINC000389264426 343685645 /nfs/dbraw/zinc/68/56/45/343685645.db2.gz PJEQBKRVCGLDOD-ZDUSSCGKSA-N 2 2 237.391 2.390 20 30 BEEDLP CC[NH+](CC)CCC[N@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602980555 349846334 /nfs/dbraw/zinc/84/63/34/349846334.db2.gz RGICQDNUFRFGPY-UONOGXRCSA-N 2 2 237.391 2.342 20 30 BEEDLP CC[NH+](CC)CCC[N@@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602980555 349846340 /nfs/dbraw/zinc/84/63/40/349846340.db2.gz RGICQDNUFRFGPY-UONOGXRCSA-N 2 2 237.391 2.342 20 30 BEEDLP C[C@H]1CCC[N@H+](Cc2cccc(C#N)c2)[C@H]1C[NH3+] ZINC000251593347 344081259 /nfs/dbraw/zinc/08/12/59/344081259.db2.gz BKPYQIPAIATIKN-WFASDCNBSA-N 2 2 243.354 2.117 20 30 BEEDLP C[C@H]1CCC[N@@H+](Cc2cccc(C#N)c2)[C@H]1C[NH3+] ZINC000251593347 344081262 /nfs/dbraw/zinc/08/12/62/344081262.db2.gz BKPYQIPAIATIKN-WFASDCNBSA-N 2 2 243.354 2.117 20 30 BEEDLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCC(C)(C)C#N ZINC000119725728 344527913 /nfs/dbraw/zinc/52/79/13/344527913.db2.gz HOHKOMBSEVRUDW-KGLIPLIRSA-N 2 2 249.402 2.485 20 30 BEEDLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCC(C)(C)C#N ZINC000119725728 344527916 /nfs/dbraw/zinc/52/79/16/344527916.db2.gz HOHKOMBSEVRUDW-KGLIPLIRSA-N 2 2 249.402 2.485 20 30 BEEDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC(C)(C)C#N ZINC000119725728 344527919 /nfs/dbraw/zinc/52/79/19/344527919.db2.gz HOHKOMBSEVRUDW-KGLIPLIRSA-N 2 2 249.402 2.485 20 30 BEEDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC(C)(C)C#N ZINC000119725728 344527922 /nfs/dbraw/zinc/52/79/22/344527922.db2.gz HOHKOMBSEVRUDW-KGLIPLIRSA-N 2 2 249.402 2.485 20 30 BEEDLP C[C@@H]1C[C@H]([NH2+]Cc2cc(C#N)cs2)CC[N@@H+]1C ZINC000093492697 362427505 /nfs/dbraw/zinc/42/75/05/362427505.db2.gz CPIAKABGGVTTSI-ZYHUDNBSSA-N 2 2 249.383 2.192 20 30 BEEDLP C[C@@H]1C[C@H]([NH2+]Cc2cc(C#N)cs2)CC[N@H+]1C ZINC000093492697 362427512 /nfs/dbraw/zinc/42/75/12/362427512.db2.gz CPIAKABGGVTTSI-ZYHUDNBSSA-N 2 2 249.383 2.192 20 30 BEEDLP C=CC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000249199165 346489600 /nfs/dbraw/zinc/48/96/00/346489600.db2.gz SCSVYTFEJLPBRN-DZGCQCFKSA-N 2 2 230.355 2.283 20 30 BEEDLP C=CC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000249199165 346489602 /nfs/dbraw/zinc/48/96/02/346489602.db2.gz SCSVYTFEJLPBRN-DZGCQCFKSA-N 2 2 230.355 2.283 20 30 BEEDLP CC[C@H](CC#N)[NH2+]Cc1cccc2[nH+]ccn21 ZINC000184092500 347149306 /nfs/dbraw/zinc/14/93/06/347149306.db2.gz UMNNUYZNFCKCTA-LLVKDONJSA-N 2 2 228.299 2.116 20 30 BEEDLP C[N@@H+]1CCC[C@@H]([NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000590643900 347484639 /nfs/dbraw/zinc/48/46/39/347484639.db2.gz GNXYOOBOOOFNOQ-ROKHWSDSSA-N 2 2 235.375 2.143 20 30 BEEDLP C[N@H+]1CCC[C@@H]([NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000590643900 347484641 /nfs/dbraw/zinc/48/46/41/347484641.db2.gz GNXYOOBOOOFNOQ-ROKHWSDSSA-N 2 2 235.375 2.143 20 30 BEEDLP C=CCC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000267403892 166265689 /nfs/dbraw/zinc/26/56/89/166265689.db2.gz GQJWBXFFDHJRQK-NSHDSACASA-N 2 2 205.305 2.165 20 30 BEEDLP CC(C)[NH2+][C@@H]1CCC[N@@H+]([C@H]2CC[C@H](C#N)C2)C1 ZINC000590166127 347609104 /nfs/dbraw/zinc/60/91/04/347609104.db2.gz QEAQLEVQPIWNSP-MJBXVCDLSA-N 2 2 235.375 2.141 20 30 BEEDLP CC(C)[NH2+][C@@H]1CCC[N@H+]([C@H]2CC[C@H](C#N)C2)C1 ZINC000590166127 347609106 /nfs/dbraw/zinc/60/91/06/347609106.db2.gz QEAQLEVQPIWNSP-MJBXVCDLSA-N 2 2 235.375 2.141 20 30 BEEDLP C[C@@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]1)c1cccc(C#N)c1 ZINC000591570986 347675709 /nfs/dbraw/zinc/67/57/09/347675709.db2.gz PRZDRGOBEHITAW-LALPHHSUSA-N 2 2 243.354 2.349 20 30 BEEDLP C[C@H](C#N)C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000054181098 348896256 /nfs/dbraw/zinc/89/62/56/348896256.db2.gz WMKPKXPSMRBRDJ-GFCCVEGCSA-N 2 2 240.310 2.122 20 30 BEEDLP C[C@@H]([NH2+]Cc1cccc(C#N)c1)[C@H]1CCCC[NH2+]1 ZINC000386088860 362939317 /nfs/dbraw/zinc/93/93/17/362939317.db2.gz HVCYWBRJGWURNB-IUODEOHRSA-N 2 2 243.354 2.178 20 30 BEEDLP C=CCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000161707392 350274307 /nfs/dbraw/zinc/27/43/07/350274307.db2.gz SOTORPAGKWUZGE-HNNXBMFYSA-N 2 2 230.355 2.427 20 30 BEEDLP C=CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000161707392 350274308 /nfs/dbraw/zinc/27/43/08/350274308.db2.gz SOTORPAGKWUZGE-HNNXBMFYSA-N 2 2 230.355 2.427 20 30 BEEDLP C=CC(C)(C)C[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000384874670 350609145 /nfs/dbraw/zinc/60/91/45/350609145.db2.gz RUBAOOLUYYJCET-RYUDHWBXSA-N 2 2 222.376 2.413 20 30 BEEDLP C=CC(C)(C)C[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000384874670 350609150 /nfs/dbraw/zinc/60/91/50/350609150.db2.gz RUBAOOLUYYJCET-RYUDHWBXSA-N 2 2 222.376 2.413 20 30 BEEDLP C[C@@H](CCC#N)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000618887258 352157919 /nfs/dbraw/zinc/15/79/19/352157919.db2.gz QBFULVSXBTYRMJ-ZDUSSCGKSA-N 2 2 246.358 2.460 20 30 BEEDLP C[C@H](CCC#N)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000618887257 352158220 /nfs/dbraw/zinc/15/82/20/352158220.db2.gz QBFULVSXBTYRMJ-CYBMUJFWSA-N 2 2 246.358 2.460 20 30 BEEDLP CC(C)CC[N@H+](CCC#N)CCc1c[nH+]cn1C ZINC000290065223 352208815 /nfs/dbraw/zinc/20/88/15/352208815.db2.gz PQMDKGFFWXVPKS-UHFFFAOYSA-N 2 2 248.374 2.224 20 30 BEEDLP CC(C)CC[N@@H+](CCC#N)CCc1c[nH+]cn1C ZINC000290065223 352208820 /nfs/dbraw/zinc/20/88/20/352208820.db2.gz PQMDKGFFWXVPKS-UHFFFAOYSA-N 2 2 248.374 2.224 20 30 BEEDLP CC(C)[NH2+]C1CC[NH+]([C@@H](C)CCC#N)CC1 ZINC000411359169 191180391 /nfs/dbraw/zinc/18/03/91/191180391.db2.gz DEDDDPJCNSHJLM-LBPRGKRZSA-N 2 2 223.364 2.141 20 30 BEEDLP C=C(C)C[N@H+](CC[NH3+])Cc1ccccc1 ZINC000232584097 353138266 /nfs/dbraw/zinc/13/82/66/353138266.db2.gz UZMLKGKPDMAFPX-UHFFFAOYSA-N 2 2 204.317 2.023 20 30 BEEDLP C=C(C)C[N@@H+](CC[NH3+])Cc1ccccc1 ZINC000232584097 353138267 /nfs/dbraw/zinc/13/82/67/353138267.db2.gz UZMLKGKPDMAFPX-UHFFFAOYSA-N 2 2 204.317 2.023 20 30 BEEDLP CC#CC[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000278680811 188095153 /nfs/dbraw/zinc/09/51/53/188095153.db2.gz ROJGDAFNUGZBGR-UHFFFAOYSA-N 2 2 244.338 2.257 20 30 BEEDLP C#C[C@@H]([NH2+]Cc1c[nH+]c2ccc(C)cn12)C(C)C ZINC000289619266 353633673 /nfs/dbraw/zinc/63/36/73/353633673.db2.gz WGKHTHDIPMEEIB-CQSZACIVSA-N 2 2 241.338 2.390 20 30 BEEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2conc2C)CC1 ZINC000293647040 353759371 /nfs/dbraw/zinc/75/93/71/353759371.db2.gz SCPLKOMQYNYMMH-UHFFFAOYSA-N 2 2 249.358 2.113 20 30 BEEDLP C=CCOc1ccc(C[N@@H+]2CCC[NH2+]CC2)cc1 ZINC000346689596 355074124 /nfs/dbraw/zinc/07/41/24/355074124.db2.gz QPLHQXCCDMUWNB-UHFFFAOYSA-N 2 2 246.354 2.047 20 30 BEEDLP C=CCOc1ccc(C[N@H+]2CCC[NH2+]CC2)cc1 ZINC000346689596 355074127 /nfs/dbraw/zinc/07/41/27/355074127.db2.gz QPLHQXCCDMUWNB-UHFFFAOYSA-N 2 2 246.354 2.047 20 30 BEEDLP C[C@@H]1CC[N@H+](CC2(C#N)CC2)C[C@@H]1n1cc[nH+]c1 ZINC000335896080 355690819 /nfs/dbraw/zinc/69/08/19/355690819.db2.gz IBYHKQSHTHDBRW-OLZOCXBDSA-N 2 2 244.342 2.070 20 30 BEEDLP C[C@@H]1CC[N@@H+](CC2(C#N)CC2)C[C@@H]1n1cc[nH+]c1 ZINC000335896080 355690821 /nfs/dbraw/zinc/69/08/21/355690821.db2.gz IBYHKQSHTHDBRW-OLZOCXBDSA-N 2 2 244.342 2.070 20 30 BEEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cccnc2)CC1 ZINC000106245908 355771745 /nfs/dbraw/zinc/77/17/45/355771745.db2.gz HTIGQUUZQKNIDZ-UHFFFAOYSA-N 2 2 245.370 2.212 20 30 BEEDLP C[C@H](CCC#N)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000351331143 355980513 /nfs/dbraw/zinc/98/05/13/355980513.db2.gz RLDIKOYHKHZGSC-TZMCWYRMSA-N 2 2 245.326 2.227 20 30 BEEDLP C[C@H](CCC#N)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000351331143 355980515 /nfs/dbraw/zinc/98/05/15/355980515.db2.gz RLDIKOYHKHZGSC-TZMCWYRMSA-N 2 2 245.326 2.227 20 30 BEEDLP CC1(C)CCC[N@H+](CC[NH2+][C@H]2CC[C@@H](C#N)C2)C1 ZINC000442862973 191935264 /nfs/dbraw/zinc/93/52/64/191935264.db2.gz WJCGVFICGAPVRT-KGLIPLIRSA-N 2 2 249.402 2.390 20 30 BEEDLP CC1(C)CCC[N@@H+](CC[NH2+][C@H]2CC[C@@H](C#N)C2)C1 ZINC000442862973 191935267 /nfs/dbraw/zinc/93/52/67/191935267.db2.gz WJCGVFICGAPVRT-KGLIPLIRSA-N 2 2 249.402 2.390 20 30 BEEDLP CC[C@H]1C[N@H+](Cc2ccccc2C#N)CC[C@@H]1[NH3+] ZINC000122691516 363495624 /nfs/dbraw/zinc/49/56/24/363495624.db2.gz UFQSZJQAMLYZFZ-WFASDCNBSA-N 2 2 243.354 2.117 20 30 BEEDLP CC[C@H]1C[N@@H+](Cc2ccccc2C#N)CC[C@@H]1[NH3+] ZINC000122691516 363495627 /nfs/dbraw/zinc/49/56/27/363495627.db2.gz UFQSZJQAMLYZFZ-WFASDCNBSA-N 2 2 243.354 2.117 20 30 BEEDLP CC[NH+]1CCC([N@H+](C)CC2(CC#N)CC2)CC1 ZINC000088259421 356647205 /nfs/dbraw/zinc/64/72/05/356647205.db2.gz OOUXTOKIAAQQQG-UHFFFAOYSA-N 2 2 235.375 2.096 20 30 BEEDLP CC[NH+]1CCC([N@@H+](C)CC2(CC#N)CC2)CC1 ZINC000088259421 356647208 /nfs/dbraw/zinc/64/72/08/356647208.db2.gz OOUXTOKIAAQQQG-UHFFFAOYSA-N 2 2 235.375 2.096 20 30 BEEDLP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCC[N@H+]2C)C1 ZINC000623634912 366314830 /nfs/dbraw/zinc/31/48/30/366314830.db2.gz GLZYHAFVFDHVOC-MGPQQGTHSA-N 2 2 222.376 2.415 20 30 BEEDLP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCC[N@@H+]2C)C1 ZINC000623634912 366314834 /nfs/dbraw/zinc/31/48/34/366314834.db2.gz GLZYHAFVFDHVOC-MGPQQGTHSA-N 2 2 222.376 2.415 20 30 BEEDLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C#N)cc2)CC[N@@H+]1C ZINC000090721034 363596380 /nfs/dbraw/zinc/59/63/80/363596380.db2.gz ARCWPPBLRJARFZ-IUODEOHRSA-N 2 2 243.354 2.131 20 30 BEEDLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C#N)cc2)CC[N@H+]1C ZINC000090721034 363596382 /nfs/dbraw/zinc/59/63/82/363596382.db2.gz ARCWPPBLRJARFZ-IUODEOHRSA-N 2 2 243.354 2.131 20 30 BEEDLP C=CCSCC[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000127515223 358563223 /nfs/dbraw/zinc/56/32/23/358563223.db2.gz RCCXQNNOUNLTFM-NWDGAFQWSA-N 2 2 240.416 2.120 20 30 BEEDLP C=CCSCC[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000127515223 358563226 /nfs/dbraw/zinc/56/32/26/358563226.db2.gz RCCXQNNOUNLTFM-NWDGAFQWSA-N 2 2 240.416 2.120 20 30 BEEDLP C=CCC[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000131928280 358701795 /nfs/dbraw/zinc/70/17/95/358701795.db2.gz PGPMDYJJWRNGRT-ZDUSSCGKSA-N 2 2 218.300 2.111 20 30 BEEDLP C=CCC[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000131928280 358701800 /nfs/dbraw/zinc/70/18/00/358701800.db2.gz PGPMDYJJWRNGRT-ZDUSSCGKSA-N 2 2 218.300 2.111 20 30 BEEDLP C[C@H](CC#N)[NH+](C)C/C=C/C[N@@H+](C)[C@H](C)CC#N ZINC000247797797 359245907 /nfs/dbraw/zinc/24/59/07/359245907.db2.gz ZVVIGZNAECGDAF-QAMKJQMISA-N 2 2 248.374 2.011 20 30 BEEDLP C[C@H](CC#N)[NH+](C)C/C=C/C[N@H+](C)[C@H](C)CC#N ZINC000247797797 359245912 /nfs/dbraw/zinc/24/59/12/359245912.db2.gz ZVVIGZNAECGDAF-QAMKJQMISA-N 2 2 248.374 2.011 20 30 BEEDLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC[C@](C)(C#N)C1 ZINC000612163684 359715422 /nfs/dbraw/zinc/71/54/22/359715422.db2.gz YWIMABPWRHBUER-LSDHHAIUSA-N 2 2 249.402 2.486 20 30 BEEDLP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC[C@](C)(C#N)C1 ZINC000612163684 359715426 /nfs/dbraw/zinc/71/54/26/359715426.db2.gz YWIMABPWRHBUER-LSDHHAIUSA-N 2 2 249.402 2.486 20 30 BEEDLP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612163684 359715432 /nfs/dbraw/zinc/71/54/32/359715432.db2.gz YWIMABPWRHBUER-LSDHHAIUSA-N 2 2 249.402 2.486 20 30 BEEDLP C[NH+]1CCCC[C@H]1CC[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612163684 359715435 /nfs/dbraw/zinc/71/54/35/359715435.db2.gz YWIMABPWRHBUER-LSDHHAIUSA-N 2 2 249.402 2.486 20 30 BEEDLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@](C)(C#N)C1 ZINC000612164444 359718315 /nfs/dbraw/zinc/71/83/15/359718315.db2.gz GFZDLJRJLAZFHO-UONOGXRCSA-N 2 2 235.375 2.096 20 30 BEEDLP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@](C)(C#N)C1 ZINC000612164444 359718318 /nfs/dbraw/zinc/71/83/18/359718318.db2.gz GFZDLJRJLAZFHO-UONOGXRCSA-N 2 2 235.375 2.096 20 30 BEEDLP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612164444 359718320 /nfs/dbraw/zinc/71/83/20/359718320.db2.gz GFZDLJRJLAZFHO-UONOGXRCSA-N 2 2 235.375 2.096 20 30 BEEDLP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612164444 359718324 /nfs/dbraw/zinc/71/83/24/359718324.db2.gz GFZDLJRJLAZFHO-UONOGXRCSA-N 2 2 235.375 2.096 20 30 BEEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)Cc2ccoc2)CC1 ZINC000449122465 200658900 /nfs/dbraw/zinc/65/89/00/200658900.db2.gz LOQIFIACUOBPRZ-ZDUSSCGKSA-N 2 2 248.370 2.451 20 30 BEEDLP CC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181414294 366809601 /nfs/dbraw/zinc/80/96/01/366809601.db2.gz KVPDXSFGBWFJGZ-UHFFFAOYSA-N 2 2 243.354 2.132 20 30 BEEDLP C=CC[N@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000435614775 201279561 /nfs/dbraw/zinc/27/95/61/201279561.db2.gz FQFUMVGWRCEKIO-OAHLLOKOSA-N 2 2 245.370 2.212 20 30 BEEDLP C=CC[N@@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000435614775 201279567 /nfs/dbraw/zinc/27/95/67/201279567.db2.gz FQFUMVGWRCEKIO-OAHLLOKOSA-N 2 2 245.370 2.212 20 30 BEEDLP CCC#C[C@H](C)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001642120455 1172324102 /nfs/dbraw/zinc/32/41/02/1172324102.db2.gz NILZTSDOLXHCIM-QWHCGFSZSA-N 2 2 231.343 2.391 20 30 BEEDLP CCC#C[C@H](C)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001642120455 1172324109 /nfs/dbraw/zinc/32/41/09/1172324109.db2.gz NILZTSDOLXHCIM-QWHCGFSZSA-N 2 2 231.343 2.391 20 30 BEEDLP C=CCC(C)(C)C[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000339418236 365461286 /nfs/dbraw/zinc/46/12/86/365461286.db2.gz ZECVMVGLFAFOBK-NEPJUHHUSA-N 2 2 210.365 2.128 20 30 BEEDLP C=CCC(C)(C)C[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000339418236 365461291 /nfs/dbraw/zinc/46/12/91/365461291.db2.gz ZECVMVGLFAFOBK-NEPJUHHUSA-N 2 2 210.365 2.128 20 30 BEEDLP N#CC1(C[NH2+]Cc2cccc3[nH+]ccn32)CCC1 ZINC000581180883 367285177 /nfs/dbraw/zinc/28/51/77/367285177.db2.gz UAQGSNOZAIPYLB-UHFFFAOYSA-N 2 2 240.310 2.118 20 30 BEEDLP C[C@@H]1CC[N@H+](CC[NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000581588369 367615454 /nfs/dbraw/zinc/61/54/54/367615454.db2.gz OERUTFKZYAUMRZ-WLYUNCDWSA-N 2 2 249.402 2.390 20 30 BEEDLP C[C@@H]1CC[N@@H+](CC[NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000581588369 367615459 /nfs/dbraw/zinc/61/54/59/367615459.db2.gz OERUTFKZYAUMRZ-WLYUNCDWSA-N 2 2 249.402 2.390 20 30 BEEDLP N#C[C@H]1CCC[C@H]([NH2+]CCCCn2cc[nH+]c2)C1 ZINC000618565186 369174612 /nfs/dbraw/zinc/17/46/12/369174612.db2.gz JZMDOHAFAGXPNI-KBPBESRZSA-N 2 2 246.358 2.335 20 30 BEEDLP CC(C)(CC#N)C[NH2+]Cc1cccc2[nH+]ccn21 ZINC000459733817 203344511 /nfs/dbraw/zinc/34/45/11/203344511.db2.gz RAFXJXQBOYRFTR-UHFFFAOYSA-N 2 2 242.326 2.364 20 30 BEEDLP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1ccc(C#N)c(F)c1 ZINC000600714932 369560790 /nfs/dbraw/zinc/56/07/90/369560790.db2.gz VQSHQSMXSJIERE-ISTVAULSSA-N 2 2 247.317 2.098 20 30 BEEDLP C[C@@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1cccc(C#N)c1 ZINC000600711239 369561281 /nfs/dbraw/zinc/56/12/81/369561281.db2.gz RXGWUBMHHWPHRI-LALPHHSUSA-N 2 2 243.354 2.349 20 30 BEEDLP C[C@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccc(C#N)c(F)c1 ZINC000335176430 371530328 /nfs/dbraw/zinc/53/03/28/371530328.db2.gz DVJGCMGHHXQSMF-GWCFXTLKSA-N 2 2 247.317 2.100 20 30 BEEDLP C=C(CC)C[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000313495660 384425057 /nfs/dbraw/zinc/42/50/57/384425057.db2.gz XSEXLPFQDUCATM-NEPJUHHUSA-N 2 2 208.349 2.167 20 30 BEEDLP C=C(CC)C[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000313495660 384425063 /nfs/dbraw/zinc/42/50/63/384425063.db2.gz XSEXLPFQDUCATM-NEPJUHHUSA-N 2 2 208.349 2.167 20 30 BEEDLP CC[NH2+][C@H](C)C[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000423386435 384548712 /nfs/dbraw/zinc/54/87/12/384548712.db2.gz LFIGLQNXOPWBIJ-ABAIWWIYSA-N 2 2 243.354 2.133 20 30 BEEDLP C[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc(C#N)c(F)c1 ZINC000423315556 384538463 /nfs/dbraw/zinc/53/84/63/384538463.db2.gz IZBYOWGJLASTBK-XPTSAGLGSA-N 2 2 247.317 2.085 20 30 BEEDLP C=CC[NH+]1CCC([NH2+][C@@H]2C[C@@H](C)[C@@H]2C)CC1 ZINC000309745063 384577854 /nfs/dbraw/zinc/57/78/54/384577854.db2.gz FIVUQQZOHRXRIK-MBNYWOFBSA-N 2 2 222.376 2.271 20 30 BEEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000361435185 384564591 /nfs/dbraw/zinc/56/45/91/384564591.db2.gz KDWYJZNYSYVDBK-CXTNEJHOSA-N 2 2 247.386 2.141 20 30 BEEDLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000361435185 384564602 /nfs/dbraw/zinc/56/46/02/384564602.db2.gz KDWYJZNYSYVDBK-CXTNEJHOSA-N 2 2 247.386 2.141 20 30 BEEDLP C#C[C@@H](C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000162561977 384647165 /nfs/dbraw/zinc/64/71/65/384647165.db2.gz ICUAGAZVKFIZJG-CQSZACIVSA-N 2 2 242.366 2.262 20 30 BEEDLP C=CC1CC[NH+](CC[NH2+]C(C)(C)C)CC1 ZINC000414687906 386180962 /nfs/dbraw/zinc/18/09/62/386180962.db2.gz CRNBSZNPBBXXLM-UHFFFAOYSA-N 2 2 210.365 2.273 20 30 BEEDLP C=CCOc1ccc(C[N@H+]2CCC[C@@H]2C[NH3+])cc1 ZINC000347033994 386224389 /nfs/dbraw/zinc/22/43/89/386224389.db2.gz BOSNFLHUZCHQPL-CQSZACIVSA-N 2 2 246.354 2.175 20 30 BEEDLP C=CCOc1ccc(C[N@@H+]2CCC[C@@H]2C[NH3+])cc1 ZINC000347033994 386224392 /nfs/dbraw/zinc/22/43/92/386224392.db2.gz BOSNFLHUZCHQPL-CQSZACIVSA-N 2 2 246.354 2.175 20 30 BEEDLP C=CC[NH+]1CCC([NH2+]Cc2cnccc2C)CC1 ZINC000280933988 386359843 /nfs/dbraw/zinc/35/98/43/386359843.db2.gz QNGJISKKCNAPDI-UHFFFAOYSA-N 2 2 245.370 2.130 20 30 BEEDLP N#C[C@H]1CC[C@H]([NH2+]CC[NH+]2CCCCCC2)C1 ZINC000442705562 386506709 /nfs/dbraw/zinc/50/67/09/386506709.db2.gz BRHGOQYPOCXOOU-KBPBESRZSA-N 2 2 235.375 2.144 20 30 BEEDLP C=CCC[N@@H+]1CCc2ccccc2[C@@H]1C[NH3+] ZINC000647995858 386559126 /nfs/dbraw/zinc/55/91/26/386559126.db2.gz QNLMMNHBMDPIJF-AWEZNQCLSA-N 2 2 216.328 2.121 20 30 BEEDLP C=CCC[N@H+]1CCc2ccccc2[C@@H]1C[NH3+] ZINC000647995858 386559131 /nfs/dbraw/zinc/55/91/31/386559131.db2.gz QNLMMNHBMDPIJF-AWEZNQCLSA-N 2 2 216.328 2.121 20 30 BEEDLP C=CCC[C@@H](CC)[NH2+]CC1([NH+](C)C)CC1 ZINC000417361040 386564559 /nfs/dbraw/zinc/56/45/59/386564559.db2.gz YEHBEMWAGJDPJJ-GFCCVEGCSA-N 2 2 210.365 2.415 20 30 BEEDLP C=C(CC)C[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000571937407 387199264 /nfs/dbraw/zinc/19/92/64/387199264.db2.gz VPZGSQLAEVWKED-QWHCGFSZSA-N 2 2 208.349 2.121 20 30 BEEDLP C=C(CC)C[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000571937407 387199271 /nfs/dbraw/zinc/19/92/71/387199271.db2.gz VPZGSQLAEVWKED-QWHCGFSZSA-N 2 2 208.349 2.121 20 30 BEEDLP C=C(CC)C[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000571937407 387199275 /nfs/dbraw/zinc/19/92/75/387199275.db2.gz VPZGSQLAEVWKED-QWHCGFSZSA-N 2 2 208.349 2.121 20 30 BEEDLP C=C(CC)C[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000571937407 387199282 /nfs/dbraw/zinc/19/92/82/387199282.db2.gz VPZGSQLAEVWKED-QWHCGFSZSA-N 2 2 208.349 2.121 20 30 BEEDLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000442775671 387837089 /nfs/dbraw/zinc/83/70/89/387837089.db2.gz AXZLCLWFKJNRQO-MELADBBJSA-N 2 2 235.375 2.143 20 30 BEEDLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000442775671 387837094 /nfs/dbraw/zinc/83/70/94/387837094.db2.gz AXZLCLWFKJNRQO-MELADBBJSA-N 2 2 235.375 2.143 20 30 BEEDLP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000442782952 387839046 /nfs/dbraw/zinc/83/90/46/387839046.db2.gz PEPPMYLQEMKHJI-BARDWOONSA-N 2 2 249.402 2.389 20 30 BEEDLP C=CCCCC[C@H](C)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643538732 387877319 /nfs/dbraw/zinc/87/73/19/387877319.db2.gz TZLVDHBJAJXSJJ-AVGNSLFASA-N 2 2 228.355 2.411 20 30 BEEDLP C[C@@H]1[C@H]([NH2+][C@@H]2CCC[C@@H](C#N)C2)CCC[N@@H+]1C ZINC000446763561 388037626 /nfs/dbraw/zinc/03/76/26/388037626.db2.gz WXDKMNVASQNYLG-AAVRWANBSA-N 2 2 235.375 2.141 20 30 BEEDLP C[C@@H]1[C@H]([NH2+][C@@H]2CCC[C@@H](C#N)C2)CCC[N@H+]1C ZINC000446763561 388037630 /nfs/dbraw/zinc/03/76/30/388037630.db2.gz WXDKMNVASQNYLG-AAVRWANBSA-N 2 2 235.375 2.141 20 30 BEEDLP N#C[C@@H]1CCC[C@H]([NH2+]C[C@H]([NH3+])c2ccccc2)C1 ZINC000423248427 388031342 /nfs/dbraw/zinc/03/13/42/388031342.db2.gz RTVZPVKQHIOONB-SNPRPXQTSA-N 2 2 243.354 2.358 20 30 BEEDLP CC(C)[N@H+](C)CC[NH2+]C1CCC(C)(C#N)CC1 ZINC000449111207 388143850 /nfs/dbraw/zinc/14/38/50/388143850.db2.gz JXSDIWDFBIIJBH-UHFFFAOYSA-N 2 2 237.391 2.389 20 30 BEEDLP CC(C)[N@@H+](C)CC[NH2+]C1CCC(C)(C#N)CC1 ZINC000449111207 388143852 /nfs/dbraw/zinc/14/38/52/388143852.db2.gz JXSDIWDFBIIJBH-UHFFFAOYSA-N 2 2 237.391 2.389 20 30 BEEDLP C=CC[NH+]1CCC([NH2+][C@H](C)Cc2ccoc2)CC1 ZINC000449122464 388145305 /nfs/dbraw/zinc/14/53/05/388145305.db2.gz LOQIFIACUOBPRZ-CYBMUJFWSA-N 2 2 248.370 2.451 20 30 BEEDLP C=C(C)CC[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000449480833 388215499 /nfs/dbraw/zinc/21/54/99/388215499.db2.gz ZYSBWBWIUKIYLR-AAEUAGOBSA-N 2 2 208.349 2.025 20 30 BEEDLP C=C(C)CC[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000449480833 388215501 /nfs/dbraw/zinc/21/55/01/388215501.db2.gz ZYSBWBWIUKIYLR-AAEUAGOBSA-N 2 2 208.349 2.025 20 30 BEEDLP C[C@@H]([NH2+]CCn1cc[nH+]c1)c1cccc(C#N)c1 ZINC000041119739 388234991 /nfs/dbraw/zinc/23/49/91/388234991.db2.gz BMWARLYJMNTITF-GFCCVEGCSA-N 2 2 240.310 2.106 20 30 BEEDLP C#C[C@H](C)[N@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000491371190 388288979 /nfs/dbraw/zinc/28/89/79/388288979.db2.gz DBDZJACKNBVIJT-NSHDSACASA-N 2 2 245.351 2.387 20 30 BEEDLP C#C[C@H](C)[N@@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000491371190 388288980 /nfs/dbraw/zinc/28/89/80/388288980.db2.gz DBDZJACKNBVIJT-NSHDSACASA-N 2 2 245.351 2.387 20 30 BEEDLP C#CC[N@@H+](CCCc1c[nH+]ccc1C)C1CC1 ZINC000491692005 388311188 /nfs/dbraw/zinc/31/11/88/388311188.db2.gz QHHZNYWHYOGYAF-UHFFFAOYSA-N 2 2 228.339 2.420 20 30 BEEDLP C#CC[N@H+](CCCc1c[nH+]ccc1C)C1CC1 ZINC000491692005 388311189 /nfs/dbraw/zinc/31/11/89/388311189.db2.gz QHHZNYWHYOGYAF-UHFFFAOYSA-N 2 2 228.339 2.420 20 30 BEEDLP C#C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000491724759 388314979 /nfs/dbraw/zinc/31/49/79/388314979.db2.gz AFBCQROLKPZCFM-OAHLLOKOSA-N 2 2 246.329 2.184 20 30 BEEDLP C=C(C)C[NH+]1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000166342717 388425539 /nfs/dbraw/zinc/42/55/39/388425539.db2.gz WSFKKKYJAVTBQU-UHFFFAOYSA-N 2 2 231.343 2.088 20 30 BEEDLP C=CCC[C@H](CC)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000154608122 388634942 /nfs/dbraw/zinc/63/49/42/388634942.db2.gz QCQUIKGAZACIEJ-QWHCGFSZSA-N 2 2 210.365 2.415 20 30 BEEDLP C=CCC[C@H](CC)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000154608122 388634945 /nfs/dbraw/zinc/63/49/45/388634945.db2.gz QCQUIKGAZACIEJ-QWHCGFSZSA-N 2 2 210.365 2.415 20 30 BEEDLP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)c1ccc(C#N)c(F)c1 ZINC000423229797 388689432 /nfs/dbraw/zinc/68/94/32/388689432.db2.gz CBIHEXMQMNUJTK-ZWNOBZJWSA-N 2 2 247.317 2.100 20 30 BEEDLP CC[NH2+][C@H](C)C[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000423389529 388692596 /nfs/dbraw/zinc/69/25/96/388692596.db2.gz VCLMUAOIBSIPPZ-MNOVXSKESA-N 2 2 249.333 2.346 20 30 BEEDLP C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)[C@H](C)[NH3+] ZINC000423452738 388692784 /nfs/dbraw/zinc/69/27/84/388692784.db2.gz WUJBXJWKCLPPBW-AEJSXWLSSA-N 2 2 235.306 2.084 20 30 BEEDLP C[C@@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000423452744 388693013 /nfs/dbraw/zinc/69/30/13/388693013.db2.gz WUJBXJWKCLPPBW-UTLUCORTSA-N 2 2 235.306 2.084 20 30 BEEDLP Cc1[nH+]cc(C[NH2+]CC(C)(C)CCC#N)n1C ZINC000565241523 388931119 /nfs/dbraw/zinc/93/11/19/388931119.db2.gz FIEFBGARARNDLV-UHFFFAOYSA-N 2 2 234.347 2.148 20 30 BEEDLP CC1(C#N)CCC([NH2+][C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000336204832 134131766 /nfs/dbraw/zinc/13/17/66/134131766.db2.gz CKQXXIDWEGRCKS-OWYJLGKBSA-N 2 2 247.386 2.285 20 30 BEEDLP CC1(C#N)CCC([NH2+][C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000336204832 134131767 /nfs/dbraw/zinc/13/17/67/134131767.db2.gz CKQXXIDWEGRCKS-OWYJLGKBSA-N 2 2 247.386 2.285 20 30 BEEDLP C=C(Cl)C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000167736720 134153868 /nfs/dbraw/zinc/15/38/68/134153868.db2.gz PNWDLUAROHDIEY-VXGBXAGGSA-N 2 2 222.719 2.473 20 30 BEEDLP C[NH+](CCC[N@H+](C)CCCC#N)Cc1ccco1 ZINC000353545155 134164383 /nfs/dbraw/zinc/16/43/83/134164383.db2.gz RHUFFBJMOYITES-UHFFFAOYSA-N 2 2 249.358 2.337 20 30 BEEDLP C[NH+](CCC[N@@H+](C)CCCC#N)Cc1ccco1 ZINC000353545155 134164384 /nfs/dbraw/zinc/16/43/84/134164384.db2.gz RHUFFBJMOYITES-UHFFFAOYSA-N 2 2 249.358 2.337 20 30 BEEDLP C[NH+](CCCC#N)CCC[N@H+](C)Cc1ccco1 ZINC000353545155 134164385 /nfs/dbraw/zinc/16/43/85/134164385.db2.gz RHUFFBJMOYITES-UHFFFAOYSA-N 2 2 249.358 2.337 20 30 BEEDLP C[NH+](CCCC#N)CCC[N@@H+](C)Cc1ccco1 ZINC000353545155 134164386 /nfs/dbraw/zinc/16/43/86/134164386.db2.gz RHUFFBJMOYITES-UHFFFAOYSA-N 2 2 249.358 2.337 20 30 BEEDLP C[N@H+](CC[C@H]1CCCC[NH+]1C)CC(C)(C)C#N ZINC000359745339 134196928 /nfs/dbraw/zinc/19/69/28/134196928.db2.gz POBKOCFWLFGBIN-CYBMUJFWSA-N 2 2 237.391 2.342 20 30 BEEDLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)CC(C)(C)C#N ZINC000359745339 134196929 /nfs/dbraw/zinc/19/69/29/134196929.db2.gz POBKOCFWLFGBIN-CYBMUJFWSA-N 2 2 237.391 2.342 20 30 BEEDLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)CC(C)(C)C#N ZINC000359745339 134196930 /nfs/dbraw/zinc/19/69/30/134196930.db2.gz POBKOCFWLFGBIN-CYBMUJFWSA-N 2 2 237.391 2.342 20 30 BEEDLP C[NH+](CC[C@H]1CCCC[N@H+]1C)CC(C)(C)C#N ZINC000359745339 134196931 /nfs/dbraw/zinc/19/69/31/134196931.db2.gz POBKOCFWLFGBIN-CYBMUJFWSA-N 2 2 237.391 2.342 20 30 BEEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCC[C@H](C#N)C2)CC1 ZINC000185815036 134390791 /nfs/dbraw/zinc/39/07/91/134390791.db2.gz NLEZMRZPXDWXSN-DZGCQCFKSA-N 2 2 247.386 2.309 20 30 BEEDLP C[C@H]1CCC[N@H+](CC[NH2+][C@@H]2CCC[C@H](C#N)C2)C1 ZINC000185779310 134395091 /nfs/dbraw/zinc/39/50/91/134395091.db2.gz NHQHCLHVXSGTRO-SOUVJXGZSA-N 2 2 249.402 2.390 20 30 BEEDLP C[C@H]1CCC[N@@H+](CC[NH2+][C@@H]2CCC[C@H](C#N)C2)C1 ZINC000185779310 134395092 /nfs/dbraw/zinc/39/50/92/134395092.db2.gz NHQHCLHVXSGTRO-SOUVJXGZSA-N 2 2 249.402 2.390 20 30 BEEDLP C=CC[NH+]1CCC([NH2+][C@@H]2C[C@@H](C)[C@H]2C)CC1 ZINC000309745066 134483518 /nfs/dbraw/zinc/48/35/18/134483518.db2.gz FIVUQQZOHRXRIK-YRGRVCCFSA-N 2 2 222.376 2.271 20 30 BEEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)COC(C)C)CC1 ZINC000337346693 135013386 /nfs/dbraw/zinc/01/33/86/135013386.db2.gz WQKMIKSCCXMYLY-ZDUSSCGKSA-N 2 2 240.391 2.040 20 30 BEEDLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000248783660 135021521 /nfs/dbraw/zinc/02/15/21/135021521.db2.gz ICRXXAOUYAJOBL-MELADBBJSA-N 2 2 235.375 2.143 20 30 BEEDLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000248783660 135021523 /nfs/dbraw/zinc/02/15/23/135021523.db2.gz ICRXXAOUYAJOBL-MELADBBJSA-N 2 2 235.375 2.143 20 30 BEEDLP C[C@H](CC#N)[NH+](C)C/C=C\C[N@@H+](C)[C@@H](C)CC#N ZINC000255060194 135128312 /nfs/dbraw/zinc/12/83/12/135128312.db2.gz ZVVIGZNAECGDAF-YOQOKRQFSA-N 2 2 248.374 2.011 20 30 BEEDLP C[C@H](CC#N)[NH+](C)C/C=C\C[N@H+](C)[C@@H](C)CC#N ZINC000255060194 135128313 /nfs/dbraw/zinc/12/83/13/135128313.db2.gz ZVVIGZNAECGDAF-YOQOKRQFSA-N 2 2 248.374 2.011 20 30 BEEDLP C[C@H](CC#N)[N@@H+](C)C/C=C\C[NH+](C)[C@@H](C)CC#N ZINC000255060194 135128314 /nfs/dbraw/zinc/12/83/14/135128314.db2.gz ZVVIGZNAECGDAF-YOQOKRQFSA-N 2 2 248.374 2.011 20 30 BEEDLP C[C@H](CC#N)[N@H+](C)C/C=C\C[NH+](C)[C@@H](C)CC#N ZINC000255060194 135128315 /nfs/dbraw/zinc/12/83/15/135128315.db2.gz ZVVIGZNAECGDAF-YOQOKRQFSA-N 2 2 248.374 2.011 20 30 BEEDLP Cc1[nH+]ccn1CC[N@H+](CCC#N)CC(C)(C)C ZINC000270861378 135173682 /nfs/dbraw/zinc/17/36/82/135173682.db2.gz JYBJYMPFBASJCZ-UHFFFAOYSA-N 2 2 248.374 2.453 20 30 BEEDLP Cc1[nH+]ccn1CC[N@@H+](CCC#N)CC(C)(C)C ZINC000270861378 135173683 /nfs/dbraw/zinc/17/36/83/135173683.db2.gz JYBJYMPFBASJCZ-UHFFFAOYSA-N 2 2 248.374 2.453 20 30 BEEDLP C[C@@H](CCC#N)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000298732123 135200566 /nfs/dbraw/zinc/20/05/66/135200566.db2.gz VHVHRZXGQKEFEY-RYUDHWBXSA-N 2 2 232.331 2.281 20 30 BEEDLP C[C@@H](CCC#N)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000298732123 135200568 /nfs/dbraw/zinc/20/05/68/135200568.db2.gz VHVHRZXGQKEFEY-RYUDHWBXSA-N 2 2 232.331 2.281 20 30 BEEDLP C=CCOc1ccc(C[N@@H+]2C[C@H]([NH3+])[C@@H](C)C2)cc1 ZINC000261924591 135269587 /nfs/dbraw/zinc/26/95/87/135269587.db2.gz BZLLEHPOXCEUDU-WFASDCNBSA-N 2 2 246.354 2.030 20 30 BEEDLP C=CCOc1ccc(C[N@H+]2C[C@H]([NH3+])[C@@H](C)C2)cc1 ZINC000261924591 135269588 /nfs/dbraw/zinc/26/95/88/135269588.db2.gz BZLLEHPOXCEUDU-WFASDCNBSA-N 2 2 246.354 2.030 20 30 BEEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccccc1F ZINC000295090365 135378581 /nfs/dbraw/zinc/37/85/81/135378581.db2.gz UUYAPYMAJNTFJJ-ZDUSSCGKSA-N 2 2 248.345 2.431 20 30 BEEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccccc1F ZINC000295090365 135378583 /nfs/dbraw/zinc/37/85/83/135378583.db2.gz UUYAPYMAJNTFJJ-ZDUSSCGKSA-N 2 2 248.345 2.431 20 30 BEEDLP C=CC[N@@H+](CCCc1c[nH+]ccc1C)CCOC ZINC000348412530 136077754 /nfs/dbraw/zinc/07/77/54/136077754.db2.gz SBJMDYDRZBVQHJ-UHFFFAOYSA-N 2 2 248.370 2.457 20 30 BEEDLP C=CC[N@H+](CCCc1c[nH+]ccc1C)CCOC ZINC000348412530 136077755 /nfs/dbraw/zinc/07/77/55/136077755.db2.gz SBJMDYDRZBVQHJ-UHFFFAOYSA-N 2 2 248.370 2.457 20 30 BEEDLP C=CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000245420005 398115695 /nfs/dbraw/zinc/11/56/95/398115695.db2.gz BGOIXJIUJGZAMS-OLZOCXBDSA-N 2 2 208.349 2.120 20 30 BEEDLP C=CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000245420005 398115698 /nfs/dbraw/zinc/11/56/98/398115698.db2.gz BGOIXJIUJGZAMS-OLZOCXBDSA-N 2 2 208.349 2.120 20 30 BEEDLP C=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC000245420005 398115700 /nfs/dbraw/zinc/11/57/00/398115700.db2.gz BGOIXJIUJGZAMS-OLZOCXBDSA-N 2 2 208.349 2.120 20 30 BEEDLP C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC000245420005 398115702 /nfs/dbraw/zinc/11/57/02/398115702.db2.gz BGOIXJIUJGZAMS-OLZOCXBDSA-N 2 2 208.349 2.120 20 30 BEEDLP C=CC[NH2+]CC[NH+]1CCC2(CCCC2)CC1 ZINC000062958953 1172794061 /nfs/dbraw/zinc/79/40/61/1172794061.db2.gz USDBXDDOTJTJIL-UHFFFAOYSA-N 2 2 222.376 2.418 20 30 BEEDLP C#C[C@@H]1CCCC[N@H+]1CCC[NH+](CC)CC ZINC001648562945 1172850162 /nfs/dbraw/zinc/85/01/62/1172850162.db2.gz CLWBQKPWLJJIMX-CQSZACIVSA-N 2 2 222.376 2.206 20 30 BEEDLP C#C[C@@H]1CCCC[N@@H+]1CCC[NH+](CC)CC ZINC001648562945 1172850166 /nfs/dbraw/zinc/85/01/66/1172850166.db2.gz CLWBQKPWLJJIMX-CQSZACIVSA-N 2 2 222.376 2.206 20 30 BEEDLP C#C[C@H]1CCCC[N@H+]1CCC[NH+](CC)CC ZINC001648562944 1172852025 /nfs/dbraw/zinc/85/20/25/1172852025.db2.gz CLWBQKPWLJJIMX-AWEZNQCLSA-N 2 2 222.376 2.206 20 30 BEEDLP C#C[C@H]1CCCC[N@@H+]1CCC[NH+](CC)CC ZINC001648562944 1172852029 /nfs/dbraw/zinc/85/20/29/1172852029.db2.gz CLWBQKPWLJJIMX-AWEZNQCLSA-N 2 2 222.376 2.206 20 30 BEEDLP C[C@H](CCC#N)[NH+]1CCC(c2c[nH+]cn2C)CC1 ZINC001648645013 1172860840 /nfs/dbraw/zinc/86/08/40/1172860840.db2.gz MQKOLQKSAMUQEM-GFCCVEGCSA-N 2 2 246.358 2.292 20 30 BEEDLP C#CCCC[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000271195095 166129986 /nfs/dbraw/zinc/12/99/86/166129986.db2.gz DGFCPAHDUNXTLQ-UONOGXRCSA-N 2 2 231.343 2.179 20 30 BEEDLP C#CCCC[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000271195095 166129987 /nfs/dbraw/zinc/12/99/87/166129987.db2.gz DGFCPAHDUNXTLQ-UONOGXRCSA-N 2 2 231.343 2.179 20 30 BEEDLP C=CCC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000267403892 166265686 /nfs/dbraw/zinc/26/56/86/166265686.db2.gz GQJWBXFFDHJRQK-NSHDSACASA-N 2 2 205.305 2.165 20 30 BEEDLP C=CCC[C@@H](C)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000336740836 166295304 /nfs/dbraw/zinc/29/53/04/166295304.db2.gz MOKXOZVJRNGFKM-GHMZBOCLSA-N 2 2 219.332 2.211 20 30 BEEDLP C=CCC[C@@H](C)[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000336740836 166295307 /nfs/dbraw/zinc/29/53/07/166295307.db2.gz MOKXOZVJRNGFKM-GHMZBOCLSA-N 2 2 219.332 2.211 20 30 BEEDLP C=CC[C@@H]1CCC[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000661383454 410598230 /nfs/dbraw/zinc/59/82/30/410598230.db2.gz CZKVGHJPNFCHFT-CYBMUJFWSA-N 2 2 233.359 2.251 20 30 BEEDLP C=CC[C@@H]1CCC[N@H+](CCc2c[nH+]cn2C)C1 ZINC000661383454 410598234 /nfs/dbraw/zinc/59/82/34/410598234.db2.gz CZKVGHJPNFCHFT-CYBMUJFWSA-N 2 2 233.359 2.251 20 30 BEEDLP C=CC[C@H]1CC[C@H]([NH2+][C@@H](C)C[NH+](C)C)C1 ZINC000651806987 411144709 /nfs/dbraw/zinc/14/47/09/411144709.db2.gz GPXYPQWXKSVWMT-AVGNSLFASA-N 2 2 210.365 2.271 20 30 BEEDLP C=CC[C@@H]1CCCC[C@H]1[NH2+]CC[NH+](C)C ZINC000658016166 411198460 /nfs/dbraw/zinc/19/84/60/411198460.db2.gz XGCSDCXUBRSBNE-CHWSQXEVSA-N 2 2 210.365 2.273 20 30 BEEDLP CCC#C[C@H](C)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000653590466 411425339 /nfs/dbraw/zinc/42/53/39/411425339.db2.gz CLYHZMBMISUEEO-QWHCGFSZSA-N 2 2 231.343 2.011 20 30 BEEDLP CCC#C[C@H](C)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000653590466 411425341 /nfs/dbraw/zinc/42/53/41/411425341.db2.gz CLYHZMBMISUEEO-QWHCGFSZSA-N 2 2 231.343 2.011 20 30 BEEDLP C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CCc1c[nH+]cn1C ZINC000662089522 411983382 /nfs/dbraw/zinc/98/33/82/411983382.db2.gz BNKCAJVACPIJLD-BETUJISGSA-N 2 2 231.343 2.146 20 30 BEEDLP C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCc1c[nH+]cn1C ZINC000662089522 411983383 /nfs/dbraw/zinc/98/33/83/411983383.db2.gz BNKCAJVACPIJLD-BETUJISGSA-N 2 2 231.343 2.146 20 30 BEEDLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)s2)CC[N@@H+]1C ZINC000135693762 177331632 /nfs/dbraw/zinc/33/16/32/177331632.db2.gz DDOXLMLHTGCNHL-QWRGUYRKSA-N 2 2 249.383 2.192 20 30 BEEDLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)s2)CC[N@H+]1C ZINC000135693762 177331634 /nfs/dbraw/zinc/33/16/34/177331634.db2.gz DDOXLMLHTGCNHL-QWRGUYRKSA-N 2 2 249.383 2.192 20 30 BEEDLP C=CCCCCC[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000565906127 325973487 /nfs/dbraw/zinc/97/34/87/325973487.db2.gz XPPGOPNONCJMCJ-ZIAGYGMSSA-N 2 2 240.391 2.089 20 30 BEEDLP CCC#C[C@@H](C)[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000680073407 487533482 /nfs/dbraw/zinc/53/34/82/487533482.db2.gz CVEVRIXXKKNHGT-CQSZACIVSA-N 2 2 234.387 2.349 20 30 BEEDLP CCC#C[C@@H](C)[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000680073407 487533486 /nfs/dbraw/zinc/53/34/86/487533486.db2.gz CVEVRIXXKKNHGT-CQSZACIVSA-N 2 2 234.387 2.349 20 30 BEEDLP C=C[C@@H]1CCCC[N@H+]1Cc1c[nH+]c(C)n1C ZINC000668078899 488199147 /nfs/dbraw/zinc/19/91/47/488199147.db2.gz WZEBSNVUBRPUFH-GFCCVEGCSA-N 2 2 219.332 2.269 20 30 BEEDLP C=C[C@@H]1CCCC[N@@H+]1Cc1c[nH+]c(C)n1C ZINC000668078899 488199149 /nfs/dbraw/zinc/19/91/49/488199149.db2.gz WZEBSNVUBRPUFH-GFCCVEGCSA-N 2 2 219.332 2.269 20 30 BEEDLP CCC#C[C@@H](C)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000672554905 488259844 /nfs/dbraw/zinc/25/98/44/488259844.db2.gz RSNWFLAIQGTKPV-UKRRQHHQSA-N 2 2 244.338 2.337 20 30 BEEDLP CCC#C[C@@H](C)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000672554905 488259845 /nfs/dbraw/zinc/25/98/45/488259845.db2.gz RSNWFLAIQGTKPV-UKRRQHHQSA-N 2 2 244.338 2.337 20 30 BEEDLP C=CCCCC[NH2+][C@@H]1C[N@H+](CC)C[C@@H]1C ZINC000309061516 534694540 /nfs/dbraw/zinc/69/45/40/534694540.db2.gz WXUHJFZRKBAXAS-QWHCGFSZSA-N 2 2 210.365 2.273 20 30 BEEDLP C=CCCCC[NH2+][C@@H]1C[N@@H+](CC)C[C@@H]1C ZINC000309061516 534694542 /nfs/dbraw/zinc/69/45/42/534694542.db2.gz WXUHJFZRKBAXAS-QWHCGFSZSA-N 2 2 210.365 2.273 20 30 BEEDLP C=CC[N@H+](Cc1cccs1)C[C@H](C)[NH3+] ZINC000261529562 534841306 /nfs/dbraw/zinc/84/13/06/534841306.db2.gz BBCHKYJUKHQSFL-JTQLQIEISA-N 2 2 210.346 2.083 20 30 BEEDLP C=CC[N@@H+](Cc1cccs1)C[C@H](C)[NH3+] ZINC000261529562 534841309 /nfs/dbraw/zinc/84/13/09/534841309.db2.gz BBCHKYJUKHQSFL-JTQLQIEISA-N 2 2 210.346 2.083 20 30 BEEDLP C#C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)C(C)(C)C ZINC000491640587 527409363 /nfs/dbraw/zinc/40/93/63/527409363.db2.gz YZEHTAZECBSTBG-AWEZNQCLSA-N 2 2 234.387 2.251 20 30 BEEDLP CC1(C)CC[N@H+](CC[NH2+][C@H]2CCC[C@@H](C#N)C2)C1 ZINC000898035552 584079087 /nfs/dbraw/zinc/07/90/87/584079087.db2.gz UXOUCSYCFSEAQC-KGLIPLIRSA-N 2 2 249.402 2.390 20 30 BEEDLP CC1(C)CC[N@@H+](CC[NH2+][C@H]2CCC[C@@H](C#N)C2)C1 ZINC000898035552 584079089 /nfs/dbraw/zinc/07/90/89/584079089.db2.gz UXOUCSYCFSEAQC-KGLIPLIRSA-N 2 2 249.402 2.390 20 30 BEEDLP C[C@@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1cccc(C#N)c1 ZINC000902472219 584601161 /nfs/dbraw/zinc/60/11/61/584601161.db2.gz ZCWIACNBOAGVHT-AQNFWKISSA-N 2 2 241.338 2.102 20 30 BEEDLP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1ccc(C#N)cc1 ZINC000902474628 584601714 /nfs/dbraw/zinc/60/17/14/584601714.db2.gz GQCFSYJFSGHUAX-OADPDTJPSA-N 2 2 241.338 2.102 20 30 BEEDLP C[C@H]1[C@@H]([NH2+]C2CCC(C)(C#N)CC2)CC[N@@H+]1C ZINC000903301799 584745172 /nfs/dbraw/zinc/74/51/72/584745172.db2.gz UJTYIDFMSIFACN-AHPWVWPOSA-N 2 2 235.375 2.141 20 30 BEEDLP C[C@H]1[C@@H]([NH2+]C2CCC(C)(C#N)CC2)CC[N@H+]1C ZINC000903301799 584745173 /nfs/dbraw/zinc/74/51/73/584745173.db2.gz UJTYIDFMSIFACN-AHPWVWPOSA-N 2 2 235.375 2.141 20 30 BEEDLP Cc1cc(C#N)cc(C)c1C[N@H+]1C[C@H]([NH3+])C[C@@H]1C ZINC000903477022 584777242 /nfs/dbraw/zinc/77/72/42/584777242.db2.gz RBXRWHFTKVNMSZ-GXTWGEPZSA-N 2 2 243.354 2.097 20 30 BEEDLP Cc1cc(C#N)cc(C)c1C[N@@H+]1C[C@H]([NH3+])C[C@@H]1C ZINC000903477022 584777243 /nfs/dbraw/zinc/77/72/43/584777243.db2.gz RBXRWHFTKVNMSZ-GXTWGEPZSA-N 2 2 243.354 2.097 20 30 BEEDLP C=C[C@H]1CCCC[N@H+]1C[C@H]([NH3+])CC(F)F ZINC000903914748 584818943 /nfs/dbraw/zinc/81/89/43/584818943.db2.gz VUADETKZIDTJCT-ZJUUUORDSA-N 2 2 218.291 2.009 20 30 BEEDLP C=C[C@H]1CCCC[N@@H+]1C[C@H]([NH3+])CC(F)F ZINC000903914748 584818944 /nfs/dbraw/zinc/81/89/44/584818944.db2.gz VUADETKZIDTJCT-ZJUUUORDSA-N 2 2 218.291 2.009 20 30 BEEDLP C=CC[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C)c1ccncc1 ZINC000766020447 585496110 /nfs/dbraw/zinc/49/61/10/585496110.db2.gz PVLGECOCKJIEIP-AEGPPILISA-N 2 2 245.370 2.239 20 30 BEEDLP C=CC[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@@H]1C)c1ccncc1 ZINC000766020447 585496111 /nfs/dbraw/zinc/49/61/11/585496111.db2.gz PVLGECOCKJIEIP-AEGPPILISA-N 2 2 245.370 2.239 20 30 BEEDLP C#CCCC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000766903644 585510794 /nfs/dbraw/zinc/51/07/94/585510794.db2.gz UHYDKMICWRQABG-CABCVRRESA-N 2 2 234.387 2.347 20 30 BEEDLP C#CCCC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000766903644 585510795 /nfs/dbraw/zinc/51/07/95/585510795.db2.gz UHYDKMICWRQABG-CABCVRRESA-N 2 2 234.387 2.347 20 30 BEEDLP C#CCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC000766903644 585510796 /nfs/dbraw/zinc/51/07/96/585510796.db2.gz UHYDKMICWRQABG-CABCVRRESA-N 2 2 234.387 2.347 20 30 BEEDLP C#CCCC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC000766903644 585510797 /nfs/dbraw/zinc/51/07/97/585510797.db2.gz UHYDKMICWRQABG-CABCVRRESA-N 2 2 234.387 2.347 20 30 BEEDLP CN(C)c1cc[nH+]cc1C=[NH+]NC1CCCCC1 ZINC000786043778 585886334 /nfs/dbraw/zinc/88/63/34/585886334.db2.gz XMTRPPBGHGLYBO-UHFFFAOYSA-N 2 2 246.358 2.404 20 30 BEEDLP C=CCOc1ccc(C[N@@H+](C)C[C@H](C)[NH3+])cc1 ZINC000843356725 588103890 /nfs/dbraw/zinc/10/38/90/588103890.db2.gz XGMGHRURKBDYGP-LBPRGKRZSA-N 2 2 234.343 2.030 20 30 BEEDLP C=CCOc1ccc(C[N@H+](C)C[C@H](C)[NH3+])cc1 ZINC000843356725 588103892 /nfs/dbraw/zinc/10/38/92/588103892.db2.gz XGMGHRURKBDYGP-LBPRGKRZSA-N 2 2 234.343 2.030 20 30 BEEDLP C#C[C@H]1CC[C@H]([NH2+]Cc2c[nH+]c(C)n2C)CC1 ZINC000873197850 589992375 /nfs/dbraw/zinc/99/23/75/589992375.db2.gz GCUAPZRAEHXLEV-JOCQHMNTSA-N 2 2 231.343 2.010 20 30 BEEDLP C#CCCCCCC[NH2+]C[C@@H](C)[NH+](C)C ZINC000877149831 590292953 /nfs/dbraw/zinc/29/29/53/590292953.db2.gz HROMBXICLUFEQR-CYBMUJFWSA-N 2 2 210.365 2.110 20 30 BEEDLP C#CCCCCCC[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000877429678 590326154 /nfs/dbraw/zinc/32/61/54/590326154.db2.gz KTPCACAABAXSKS-AWEZNQCLSA-N 2 2 245.370 2.371 20 30 BEEDLP C#CCCCCCC[N@H+]1CCn2c[nH+]cc2C1 ZINC000877538841 590351109 /nfs/dbraw/zinc/35/11/09/590351109.db2.gz FIOOWDMGBMYBLW-UHFFFAOYSA-N 2 2 231.343 2.282 20 30 BEEDLP C=CC[C@@H](C)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000878302571 590538294 /nfs/dbraw/zinc/53/82/94/590538294.db2.gz QVEJNZCGIWLALY-VXGBXAGGSA-N 2 2 219.332 2.174 20 30 BEEDLP C=CC[C@@H](C)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000878302571 590538295 /nfs/dbraw/zinc/53/82/95/590538295.db2.gz QVEJNZCGIWLALY-VXGBXAGGSA-N 2 2 219.332 2.174 20 30 BEEDLP C=CC[C@@H](C)[N@@H+]1CC2CCC1(C[NH3+])CC2 ZINC000883435386 591666389 /nfs/dbraw/zinc/66/63/89/591666389.db2.gz RLXZIPVFJQVFPX-PNESKVBLSA-N 2 2 208.349 2.154 20 30 BEEDLP C=CC[C@@H](C)[N@H+]1CC2CCC1(C[NH3+])CC2 ZINC000883435386 591666393 /nfs/dbraw/zinc/66/63/93/591666393.db2.gz RLXZIPVFJQVFPX-PNESKVBLSA-N 2 2 208.349 2.154 20 30 BEEDLP C=CCOCCC[NH2+][C@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925709795 634407607 /nfs/dbraw/zinc/40/76/07/634407607.db2.gz OLOSYSWFVNNYIY-ZFWWWQNUSA-N 2 2 248.370 2.257 20 30 BEEDLP CC[C@H](CC#N)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000054181952 636047003 /nfs/dbraw/zinc/04/70/03/636047003.db2.gz HKKCLILJUJVBLU-GFCCVEGCSA-N 2 2 223.364 2.141 20 30 BEEDLP C[C@H](CC(C)(C)C#N)[NH2+]CC[N@@H+]1CCC[C@H]1C ZINC000925174558 636352943 /nfs/dbraw/zinc/35/29/43/636352943.db2.gz AYEIYXTVOMMMNU-CHWSQXEVSA-N 2 2 237.391 2.389 20 30 BEEDLP C[C@H](CC(C)(C)C#N)[NH2+]CC[N@H+]1CCC[C@H]1C ZINC000925174558 636352948 /nfs/dbraw/zinc/35/29/48/636352948.db2.gz AYEIYXTVOMMMNU-CHWSQXEVSA-N 2 2 237.391 2.389 20 30 BEEDLP C[C@H](CC(C)(C)C#N)[NH2+]CC[N@@H+]1CCC[C@@H]1C ZINC000925174559 636353311 /nfs/dbraw/zinc/35/33/11/636353311.db2.gz AYEIYXTVOMMMNU-OLZOCXBDSA-N 2 2 237.391 2.389 20 30 BEEDLP C[C@H](CC(C)(C)C#N)[NH2+]CC[N@H+]1CCC[C@@H]1C ZINC000925174559 636353315 /nfs/dbraw/zinc/35/33/15/636353315.db2.gz AYEIYXTVOMMMNU-OLZOCXBDSA-N 2 2 237.391 2.389 20 30 BEEDLP C[C@H]1CCC[N@@H+]1CC[NH2+]CC(C)(C)CCC#N ZINC000742386605 641173063 /nfs/dbraw/zinc/17/30/63/641173063.db2.gz JEVCXXMNPGMEEB-ZDUSSCGKSA-N 2 2 237.391 2.390 20 30 BEEDLP C[C@H]1CCC[N@H+]1CC[NH2+]CC(C)(C)CCC#N ZINC000742386605 641173066 /nfs/dbraw/zinc/17/30/66/641173066.db2.gz JEVCXXMNPGMEEB-ZDUSSCGKSA-N 2 2 237.391 2.390 20 30 BEEDLP C[C@@H]1C[C@H]([NH2+]Cc2csc(C#N)c2)CC[N@@H+]1C ZINC000921778873 643783199 /nfs/dbraw/zinc/78/31/99/643783199.db2.gz AUSBFDSJFGMAAE-ZYHUDNBSSA-N 2 2 249.383 2.192 20 30 BEEDLP C[C@@H]1C[C@H]([NH2+]Cc2csc(C#N)c2)CC[N@H+]1C ZINC000921778873 643783200 /nfs/dbraw/zinc/78/32/00/643783200.db2.gz AUSBFDSJFGMAAE-ZYHUDNBSSA-N 2 2 249.383 2.192 20 30 BEEDLP C=CC[NH+]1CCC([NH2+][C@H](C)C2(Cl)CC2)CC1 ZINC000924984932 646150264 /nfs/dbraw/zinc/15/02/64/646150264.db2.gz YSSVXJIWZITTSN-LLVKDONJSA-N 2 2 242.794 2.386 20 30 BEEDLP C#CCCC[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000925161092 646197401 /nfs/dbraw/zinc/19/74/01/646197401.db2.gz NJMHPVVXVOVYIU-KGLIPLIRSA-N 2 2 220.360 2.006 20 30 BEEDLP C#CCCC[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000925161092 646197406 /nfs/dbraw/zinc/19/74/06/646197406.db2.gz NJMHPVVXVOVYIU-KGLIPLIRSA-N 2 2 220.360 2.006 20 30 BEEDLP CCCCCCC[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000703748989 712085322 /nfs/dbraw/zinc/08/53/22/712085322.db2.gz UBFHLLXEVKLZPH-ZIAGYGMSSA-N 2 2 242.407 2.313 20 30 BEEDLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](C)CC(C)(C)C#N)C1 ZINC000709978613 712236832 /nfs/dbraw/zinc/23/68/32/712236832.db2.gz WVKNTGSKJKTNRR-OLZOCXBDSA-N 2 2 237.391 2.389 20 30 BEEDLP CCC[N@H+]1CC[C@H]([NH2+][C@H](C)CC(C)(C)C#N)C1 ZINC000709978613 712236833 /nfs/dbraw/zinc/23/68/33/712236833.db2.gz WVKNTGSKJKTNRR-OLZOCXBDSA-N 2 2 237.391 2.389 20 30 BEEDLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)CC(C)(C)C#N ZINC000709992455 712237998 /nfs/dbraw/zinc/23/79/98/712237998.db2.gz WNXIZVYWGMOMLM-VXGBXAGGSA-N 2 2 234.347 2.190 20 30 BEEDLP C=CC[C@H](C)[N@@H+]1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000717157637 712637990 /nfs/dbraw/zinc/63/79/90/712637990.db2.gz BYLVBPQLCYBPFS-LPEHRKFASA-N 2 2 236.281 2.163 20 30 BEEDLP C=CC[C@H](C)[N@H+]1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000717157637 712637991 /nfs/dbraw/zinc/63/79/91/712637991.db2.gz BYLVBPQLCYBPFS-LPEHRKFASA-N 2 2 236.281 2.163 20 30 BEEDLP C=CC[C@H](C)[N@@H+]1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000717157632 712638003 /nfs/dbraw/zinc/63/80/03/712638003.db2.gz BYLVBPQLCYBPFS-GUBZILKMSA-N 2 2 236.281 2.163 20 30 BEEDLP C=CC[C@H](C)[N@H+]1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000717157632 712638004 /nfs/dbraw/zinc/63/80/04/712638004.db2.gz BYLVBPQLCYBPFS-GUBZILKMSA-N 2 2 236.281 2.163 20 30 BEEDLP C[N@@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CCCC(C)(C)C#N ZINC000720361726 712835194 /nfs/dbraw/zinc/83/51/94/712835194.db2.gz COIYPLSZTQXWSU-KBPBESRZSA-N 2 2 249.402 2.485 20 30 BEEDLP C[N@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CCCC(C)(C)C#N ZINC000720361726 712835196 /nfs/dbraw/zinc/83/51/96/712835196.db2.gz COIYPLSZTQXWSU-KBPBESRZSA-N 2 2 249.402 2.485 20 30 BEEDLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@@H+]2CCCC(C)(C)C#N ZINC000720361726 712835197 /nfs/dbraw/zinc/83/51/97/712835197.db2.gz COIYPLSZTQXWSU-KBPBESRZSA-N 2 2 249.402 2.485 20 30 BEEDLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@H+]2CCCC(C)(C)C#N ZINC000720361726 712835199 /nfs/dbraw/zinc/83/51/99/712835199.db2.gz COIYPLSZTQXWSU-KBPBESRZSA-N 2 2 249.402 2.485 20 30 BEEDLP C[C@H]1C[C@H]([NH2+]CC#Cc2ccccc2)CC[N@@H+]1C ZINC000158157079 1166399595 /nfs/dbraw/zinc/39/95/95/1166399595.db2.gz ZENWZDLNFUEHRW-GOEBONIOSA-N 2 2 242.366 2.110 20 30 BEEDLP C[C@H]1C[C@H]([NH2+]CC#Cc2ccccc2)CC[N@H+]1C ZINC000158157079 1166399604 /nfs/dbraw/zinc/39/96/04/1166399604.db2.gz ZENWZDLNFUEHRW-GOEBONIOSA-N 2 2 242.366 2.110 20 30 BEEDLP N#CCC1CCC(n2cc[nH+]c2CC[NH3+])CC1 ZINC001173328173 1168685895 /nfs/dbraw/zinc/68/58/95/1168685895.db2.gz QIXAVQJYTUXZCF-UHFFFAOYSA-N 2 2 232.331 2.029 20 30 BEEDLP CC[NH+](CC)CC[NH2+][C@H](C)CCCC#N ZINC001172476888 974775467 /nfs/dbraw/zinc/77/54/67/974775467.db2.gz SGPMWAISWZLXFL-GFCCVEGCSA-N 2 2 211.353 2.000 20 30 BEEDLP CC[C@@H](CC#N)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172104705 974368362 /nfs/dbraw/zinc/36/83/62/974368362.db2.gz CKLLSMIYDRCWTN-XDQVBPFNSA-N 2 2 235.375 2.284 20 30 BEEDLP CC[C@@H](CC#N)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172104705 974368372 /nfs/dbraw/zinc/36/83/72/974368372.db2.gz CKLLSMIYDRCWTN-XDQVBPFNSA-N 2 2 235.375 2.284 20 30 BEEDLP CCCCCCC[C@H](CC)[NH2+]CC1(O)C[NH2+]C1 ZINC001246098650 972153459 /nfs/dbraw/zinc/15/34/59/972153459.db2.gz TZWTZCSFHKVJPU-ZDUSSCGKSA-N 2 2 242.407 2.049 20 30 BEEDLP N#CCC1([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCCC1 ZINC001246517723 972373942 /nfs/dbraw/zinc/37/39/42/972373942.db2.gz BGJPYWQTUAFPJY-FUNVUKJBSA-N 2 2 233.359 2.085 20 30 BEEDLP CC[NH+](CC)CCC[C@H](C)[N@H+](C)[C@@H](C)C#N ZINC001167842017 961237196 /nfs/dbraw/zinc/23/71/96/961237196.db2.gz VSSOFRAODZZGOZ-STQMWFEESA-N 2 2 225.380 2.341 20 30 BEEDLP CC[NH+](CC)CCC[C@H](C)[N@@H+](C)[C@@H](C)C#N ZINC001167842017 961237211 /nfs/dbraw/zinc/23/72/11/961237211.db2.gz VSSOFRAODZZGOZ-STQMWFEESA-N 2 2 225.380 2.341 20 30 BEEDLP C=CCCC[NH+]1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000880130046 963047558 /nfs/dbraw/zinc/04/75/58/963047558.db2.gz BUFXIZXEVSIRRA-CHWSQXEVSA-N 2 2 208.349 2.121 20 30 BEEDLP C=CCCC[NH+]1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000880130046 963047576 /nfs/dbraw/zinc/04/75/76/963047576.db2.gz BUFXIZXEVSIRRA-CHWSQXEVSA-N 2 2 208.349 2.121 20 30 BEEDLP C=CCCC[N@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC000880130046 963047592 /nfs/dbraw/zinc/04/75/92/963047592.db2.gz BUFXIZXEVSIRRA-CHWSQXEVSA-N 2 2 208.349 2.121 20 30 BEEDLP C=CCCC[N@@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC000880130046 963047606 /nfs/dbraw/zinc/04/76/06/963047606.db2.gz BUFXIZXEVSIRRA-CHWSQXEVSA-N 2 2 208.349 2.121 20 30 BEEDLP C=CCCSCC[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000696088810 965236860 /nfs/dbraw/zinc/23/68/60/965236860.db2.gz CKWXASKSMGWGEE-VXGBXAGGSA-N 2 2 228.405 2.026 20 30 BEEDLP CCCCCCCCC[N@@H+]1C[C@H]([NH3+])C[C@@H](O)C1 ZINC001204958023 967258072 /nfs/dbraw/zinc/25/80/72/967258072.db2.gz UYHZLLNKXMCBNA-ZIAGYGMSSA-N 2 2 242.407 2.131 20 30 BEEDLP CCCCCCCCC[N@H+]1C[C@H]([NH3+])C[C@@H](O)C1 ZINC001204958023 967258082 /nfs/dbraw/zinc/25/80/82/967258082.db2.gz UYHZLLNKXMCBNA-ZIAGYGMSSA-N 2 2 242.407 2.131 20 30 BEEDLP N#Cc1ccc(C[N@H+]2CCC[C@@H]([NH3+])CC2)c(F)c1 ZINC001205109471 967353683 /nfs/dbraw/zinc/35/36/83/967353683.db2.gz GSLMXHMJTROQAK-CYBMUJFWSA-N 2 2 247.317 2.011 20 30 BEEDLP N#Cc1ccc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)c(F)c1 ZINC001205109471 967353693 /nfs/dbraw/zinc/35/36/93/967353693.db2.gz GSLMXHMJTROQAK-CYBMUJFWSA-N 2 2 247.317 2.011 20 30 BEEDLP C=CCCCC[N@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001206334924 968240590 /nfs/dbraw/zinc/24/05/90/968240590.db2.gz AULJKVWTRAOPKL-ZDUSSCGKSA-N 2 2 228.355 2.496 20 30 BEEDLP C=CCCCC[N@@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001206334924 968240603 /nfs/dbraw/zinc/24/06/03/968240603.db2.gz AULJKVWTRAOPKL-ZDUSSCGKSA-N 2 2 228.355 2.496 20 30 BEEDLP N#C[C@H]1CC[C@H]([NH2+][C@@H]2CC3CC[NH+](CC3)C2)CC1 ZINC001254839593 969802330 /nfs/dbraw/zinc/80/23/30/969802330.db2.gz TYOKSXQUCUOGQN-RBSFLKMASA-N 2 2 247.386 2.143 20 30 BEEDLP CC[C@H](CC#N)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC001255156525 969964987 /nfs/dbraw/zinc/96/49/87/969964987.db2.gz LOFKBFQYENPEGQ-GFCCVEGCSA-N 2 2 235.375 2.285 20 30 BEEDLP CC(C)[N@@H+]1CC[C@H]([NH2+][C@H](C)CCCC#N)C1 ZINC001172480432 974779642 /nfs/dbraw/zinc/77/96/42/974779642.db2.gz UFHUURSUNZIOLR-OLZOCXBDSA-N 2 2 223.364 2.141 20 30 BEEDLP CC(C)[N@H+]1CC[C@H]([NH2+][C@H](C)CCCC#N)C1 ZINC001172480432 974779648 /nfs/dbraw/zinc/77/96/48/974779648.db2.gz UFHUURSUNZIOLR-OLZOCXBDSA-N 2 2 223.364 2.141 20 30 BEEDLP Cc1[nH+]c2c(n1[C@@H](C)CCCC#N)CC[NH2+]CC2 ZINC001172496363 974844246 /nfs/dbraw/zinc/84/42/46/974844246.db2.gz MEYVVLHWDQDHAT-NSHDSACASA-N 2 2 246.358 2.135 20 30 BEEDLP CC[N@H+]([C@H](C)CCCC#N)C1CC[NH+](C)CC1 ZINC001172506945 974860060 /nfs/dbraw/zinc/86/00/60/974860060.db2.gz MJJOJNSWPJKRAS-CYBMUJFWSA-N 2 2 237.391 2.485 20 30 BEEDLP CC[N@@H+]([C@H](C)CCCC#N)C1CC[NH+](C)CC1 ZINC001172506945 974860065 /nfs/dbraw/zinc/86/00/65/974860065.db2.gz MJJOJNSWPJKRAS-CYBMUJFWSA-N 2 2 237.391 2.485 20 30 BEEDLP C[C@H](CCCC#N)[N@@H+]1C[C@H]2CCC[NH+](C)[C@H]2C1 ZINC001172508961 974862706 /nfs/dbraw/zinc/86/27/06/974862706.db2.gz ICFZVWWMURMNLZ-MCIONIFRSA-N 2 2 235.375 2.095 20 30 BEEDLP C[C@H](CCCC#N)[N@H+]1C[C@H]2CCC[NH+](C)[C@H]2C1 ZINC001172508961 974862709 /nfs/dbraw/zinc/86/27/09/974862709.db2.gz ICFZVWWMURMNLZ-MCIONIFRSA-N 2 2 235.375 2.095 20 30 BEEDLP C[C@H](CCCC#N)[NH+]1C[C@H]2CCC[N@H+](C)[C@H]2C1 ZINC001172508961 974862714 /nfs/dbraw/zinc/86/27/14/974862714.db2.gz ICFZVWWMURMNLZ-MCIONIFRSA-N 2 2 235.375 2.095 20 30 BEEDLP C[C@H](CCCC#N)[NH+]1C[C@H]2CCC[N@@H+](C)[C@H]2C1 ZINC001172508961 974862716 /nfs/dbraw/zinc/86/27/16/974862716.db2.gz ICFZVWWMURMNLZ-MCIONIFRSA-N 2 2 235.375 2.095 20 30 BEEDLP CCCCCCCC[C@H](O)C[N@H+](CC)CC[NH3+] ZINC001246054405 987349458 /nfs/dbraw/zinc/34/94/58/987349458.db2.gz ZLQRWWLPVMWKQB-AWEZNQCLSA-N 2 2 244.423 2.379 20 30 BEEDLP CCCCCCCC[C@H](O)C[N@@H+](CC)CC[NH3+] ZINC001246054405 987349468 /nfs/dbraw/zinc/34/94/68/987349468.db2.gz ZLQRWWLPVMWKQB-AWEZNQCLSA-N 2 2 244.423 2.379 20 30 BEEDLP CC[C@H](CC#N)[N@@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001246578755 988086848 /nfs/dbraw/zinc/08/68/48/988086848.db2.gz BXXCTNYMRACZOA-CHWSQXEVSA-N 2 2 223.364 2.130 20 30 BEEDLP CC[C@H](CC#N)[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001246578755 988086862 /nfs/dbraw/zinc/08/68/62/988086862.db2.gz BXXCTNYMRACZOA-CHWSQXEVSA-N 2 2 223.364 2.130 20 30 BEEDLP CCCC[N@H+](CCC#N)[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246769475 988453083 /nfs/dbraw/zinc/45/30/83/988453083.db2.gz KLIFTCJJAHIXKG-STQMWFEESA-N 2 2 223.364 2.143 20 30 BEEDLP CCCC[N@@H+](CCC#N)[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246769475 988453092 /nfs/dbraw/zinc/45/30/92/988453092.db2.gz KLIFTCJJAHIXKG-STQMWFEESA-N 2 2 223.364 2.143 20 30 BEEDLP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCC[C@H]1C#N ZINC001258907617 991896168 /nfs/dbraw/zinc/89/61/68/991896168.db2.gz LKPSLKSPOOMMEI-KGLIPLIRSA-N 2 2 237.391 2.485 20 30 BEEDLP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@H]1C#N ZINC001258907617 991896172 /nfs/dbraw/zinc/89/61/72/991896172.db2.gz LKPSLKSPOOMMEI-KGLIPLIRSA-N 2 2 237.391 2.485 20 30 BEEDLP C#CCCCCCC[N@@H+]1CCC[C@@H]([NH2+]C)C1 ZINC001574545132 992876961 /nfs/dbraw/zinc/87/69/61/992876961.db2.gz NNTKPJDRSSFCJT-CQSZACIVSA-N 2 2 222.376 2.254 20 30 BEEDLP C#CCCCCCC[N@H+]1CCC[C@@H]([NH2+]C)C1 ZINC001574545132 992876958 /nfs/dbraw/zinc/87/69/58/992876958.db2.gz NNTKPJDRSSFCJT-CQSZACIVSA-N 2 2 222.376 2.254 20 30 BEEDLP C=C(C[NH2+][C@@H]1C[NH2+]CC[C@@H]1C)c1ccccc1 ZINC000423021748 398162100 /nfs/dbraw/zinc/16/21/00/398162100.db2.gz CSTJHYGHNFMPNL-SWLSCSKDSA-N 2 2 230.355 2.287 20 30 BEEDLP C=CC[NH+]1CCC([NH2+][C@H](C)[C@@H]2C[C@H]2C)CC1 ZINC000414129846 398218154 /nfs/dbraw/zinc/21/81/54/398218154.db2.gz VNKJUODKGBBVTM-YRGRVCCFSA-N 2 2 222.376 2.271 20 30 BEEDLP CC#CC[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000293186915 136229698 /nfs/dbraw/zinc/22/96/98/136229698.db2.gz PXZKXIIHXOIRLR-UHFFFAOYSA-N 2 2 239.322 2.327 20 30 BEEDLP CC#CC[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000293186915 136229699 /nfs/dbraw/zinc/22/96/99/136229699.db2.gz PXZKXIIHXOIRLR-UHFFFAOYSA-N 2 2 239.322 2.327 20 30 BEEDLP C[C@H](CCC#N)C[N@@H+]1CCC[C@@H]1C[NH+]1CCCC1 ZINC000602449090 349549780 /nfs/dbraw/zinc/54/97/80/349549780.db2.gz CBDAAOSZMBFOPR-HUUCEWRRSA-N 2 2 249.402 2.486 20 30 BEEDLP C[C@H](CCC#N)C[N@H+]1CCC[C@@H]1C[NH+]1CCCC1 ZINC000602449090 349549784 /nfs/dbraw/zinc/54/97/84/349549784.db2.gz CBDAAOSZMBFOPR-HUUCEWRRSA-N 2 2 249.402 2.486 20 30 BEEDLP CC[N@@H+]1CCC[C@H]1C[NH2+]C1CCC(C#N)CC1 ZINC000602506622 349582811 /nfs/dbraw/zinc/58/28/11/349582811.db2.gz FJSGHXCIRPTXBA-RUXDESIVSA-N 2 2 235.375 2.143 20 30 BEEDLP CC[N@H+]1CCC[C@H]1C[NH2+]C1CCC(C#N)CC1 ZINC000602506622 349582813 /nfs/dbraw/zinc/58/28/13/349582813.db2.gz FJSGHXCIRPTXBA-RUXDESIVSA-N 2 2 235.375 2.143 20 30 BEEDLP C[C@@H](CCC#N)C[NH2+]CC[N@@H+]1CCCC[C@@H]1C ZINC000602514456 349586778 /nfs/dbraw/zinc/58/67/78/349586778.db2.gz JOPKOXZJFXAWQT-KBPBESRZSA-N 2 2 237.391 2.390 20 30 BEEDLP C[C@@H](CCC#N)C[NH2+]CC[N@H+]1CCCC[C@@H]1C ZINC000602514456 349586780 /nfs/dbraw/zinc/58/67/80/349586780.db2.gz JOPKOXZJFXAWQT-KBPBESRZSA-N 2 2 237.391 2.390 20 30 BEEDLP CCCC[N@H+](C)CC[NH2+]C1CCC(C#N)CC1 ZINC000602567127 349618669 /nfs/dbraw/zinc/61/86/69/349618669.db2.gz VCIMLYJJXXDMJQ-UHFFFAOYSA-N 2 2 237.391 2.390 20 30 BEEDLP CCCC[N@@H+](C)CC[NH2+]C1CCC(C#N)CC1 ZINC000602567127 349618671 /nfs/dbraw/zinc/61/86/71/349618671.db2.gz VCIMLYJJXXDMJQ-UHFFFAOYSA-N 2 2 237.391 2.390 20 30 BEEDLP C[C@H](CCC#N)C[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000602653731 349660276 /nfs/dbraw/zinc/66/02/76/349660276.db2.gz OMHMMFWLVDNXJJ-GFCCVEGCSA-N 2 2 246.358 2.249 20 30 BEEDLP C[C@H](CCC#N)C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000602667510 349684774 /nfs/dbraw/zinc/68/47/74/349684774.db2.gz QBDBRZHEITUILU-OLZOCXBDSA-N 2 2 246.358 2.149 20 30 BEEDLP C[C@H](CCC#N)C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000602667510 349684777 /nfs/dbraw/zinc/68/47/77/349684777.db2.gz QBDBRZHEITUILU-OLZOCXBDSA-N 2 2 246.358 2.149 20 30 BEEDLP C[C@H](CCC#N)C[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000602707587 349700707 /nfs/dbraw/zinc/70/07/07/349700707.db2.gz NWCBSRUGABKWLW-CHWSQXEVSA-N 2 2 237.391 2.389 20 30 BEEDLP C[C@H](CCC#N)C[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000602707587 349700710 /nfs/dbraw/zinc/70/07/10/349700710.db2.gz NWCBSRUGABKWLW-CHWSQXEVSA-N 2 2 237.391 2.389 20 30 BEEDLP C=C(C)CC[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000387514219 344553525 /nfs/dbraw/zinc/55/35/25/344553525.db2.gz ZCIBLFFNZKMHQE-NEPJUHHUSA-N 2 2 208.349 2.167 20 30 BEEDLP C=C(C)CC[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000387514219 344553528 /nfs/dbraw/zinc/55/35/28/344553528.db2.gz ZCIBLFFNZKMHQE-NEPJUHHUSA-N 2 2 208.349 2.167 20 30 BEEDLP CC(C)(C#N)CC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000119901948 344673847 /nfs/dbraw/zinc/67/38/47/344673847.db2.gz CJYMRKLJZLZWFS-UHFFFAOYSA-N 2 2 246.358 2.460 20 30 BEEDLP CC(C)(CCC#N)C[NH2+]CCCn1cc[nH+]c1 ZINC000135123341 345432651 /nfs/dbraw/zinc/43/26/51/345432651.db2.gz SFDYTPXFHXTNJI-UHFFFAOYSA-N 2 2 234.347 2.193 20 30 BEEDLP C=CCCCCC[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000563638637 323133320 /nfs/dbraw/zinc/13/33/20/323133320.db2.gz RWIHDGZVGCABOB-CHWSQXEVSA-N 2 2 210.365 2.273 20 30 BEEDLP C=CCCCCC[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000563638637 323133321 /nfs/dbraw/zinc/13/33/21/323133321.db2.gz RWIHDGZVGCABOB-CHWSQXEVSA-N 2 2 210.365 2.273 20 30 BEEDLP C=CCCC[N@H+]1C[C@H]([NH3+])[C@@H](c2ccccc2)C1 ZINC000302323703 347516419 /nfs/dbraw/zinc/51/64/19/347516419.db2.gz FFSDORSFURIWCT-CABCVRRESA-N 2 2 230.355 2.379 20 30 BEEDLP C=CCCC[N@@H+]1C[C@H]([NH3+])[C@@H](c2ccccc2)C1 ZINC000302323703 347516420 /nfs/dbraw/zinc/51/64/20/347516420.db2.gz FFSDORSFURIWCT-CABCVRRESA-N 2 2 230.355 2.379 20 30 BEEDLP CC[NH2+]CC[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000591576862 347676842 /nfs/dbraw/zinc/67/68/42/347676842.db2.gz KQQMRUUKXVMIAZ-OAHLLOKOSA-N 2 2 243.354 2.135 20 30 BEEDLP CC[C@H](CC#N)[NH2+]CCC[NH+](CC)CC ZINC000036987463 347997927 /nfs/dbraw/zinc/99/79/27/347997927.db2.gz YXDGGPCUGPLKDS-GFCCVEGCSA-N 2 2 211.353 2.000 20 30 BEEDLP CC(C)(C#N)CCCC[N@@H+]1CCn2c[nH+]cc2C1 ZINC000595489352 348261520 /nfs/dbraw/zinc/26/15/20/348261520.db2.gz HTKFXXZQPMTJJE-UHFFFAOYSA-N 2 2 246.358 2.419 20 30 BEEDLP CC(C)(C#N)CCCC[N@H+]1CCn2c[nH+]cc2C1 ZINC000595489352 348261522 /nfs/dbraw/zinc/26/15/22/348261522.db2.gz HTKFXXZQPMTJJE-UHFFFAOYSA-N 2 2 246.358 2.419 20 30 BEEDLP CCC[N@H+](Cc1cccc(C#N)c1)[C@@H]1CC[NH2+]C1 ZINC000071314714 350099189 /nfs/dbraw/zinc/09/91/89/350099189.db2.gz DUQOZGFUSFISDO-OAHLLOKOSA-N 2 2 243.354 2.132 20 30 BEEDLP CCC[N@@H+](Cc1cccc(C#N)c1)[C@@H]1CC[NH2+]C1 ZINC000071314714 350099193 /nfs/dbraw/zinc/09/91/93/350099193.db2.gz DUQOZGFUSFISDO-OAHLLOKOSA-N 2 2 243.354 2.132 20 30 BEEDLP CC#CC[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000285492242 353544292 /nfs/dbraw/zinc/54/42/92/353544292.db2.gz CDIRTDVTPVETMS-UHFFFAOYSA-N 2 2 234.343 2.057 20 30 BEEDLP CC#CC[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000285492242 353544296 /nfs/dbraw/zinc/54/42/96/353544296.db2.gz CDIRTDVTPVETMS-UHFFFAOYSA-N 2 2 234.343 2.057 20 30 BEEDLP CC#CC[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000285492242 353544298 /nfs/dbraw/zinc/54/42/98/353544298.db2.gz CDIRTDVTPVETMS-UHFFFAOYSA-N 2 2 234.343 2.057 20 30 BEEDLP CC#CC[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000285492242 353544299 /nfs/dbraw/zinc/54/42/99/353544299.db2.gz CDIRTDVTPVETMS-UHFFFAOYSA-N 2 2 234.343 2.057 20 30 BEEDLP C#CCCC[NH2+][C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000289398469 353627707 /nfs/dbraw/zinc/62/77/07/353627707.db2.gz NPDYZPPMRSVVAH-JKSUJKDBSA-N 2 2 242.366 2.435 20 30 BEEDLP C#CCCC[NH2+][C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000289398469 353627709 /nfs/dbraw/zinc/62/77/09/353627709.db2.gz NPDYZPPMRSVVAH-JKSUJKDBSA-N 2 2 242.366 2.435 20 30 BEEDLP C#CCC[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000289325798 353613242 /nfs/dbraw/zinc/61/32/42/353613242.db2.gz CWUDAAFVCIHRJM-UHFFFAOYSA-N 2 2 244.338 2.257 20 30 BEEDLP C#C[C@H]([NH2+]Cc1cccc2[nH+]ccn21)C(C)C ZINC000289328659 353613838 /nfs/dbraw/zinc/61/38/38/353613838.db2.gz GLGNDVYYAKKDNI-ZDUSSCGKSA-N 2 2 227.311 2.082 20 30 BEEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(CC)o1 ZINC000295079166 353800963 /nfs/dbraw/zinc/80/09/63/353800963.db2.gz SZHDIJZQSOYUQC-CYBMUJFWSA-N 2 2 248.370 2.448 20 30 BEEDLP C=CCC[C@@H](C)[NH2+]CC[N@@H+](CC)C1CC1 ZINC000230660362 363316824 /nfs/dbraw/zinc/31/68/24/363316824.db2.gz FOOGDJIJNVMOOH-GFCCVEGCSA-N 2 2 210.365 2.415 20 30 BEEDLP C=CCC[C@@H](C)[NH2+]CC[N@H+](CC)C1CC1 ZINC000230660362 363316829 /nfs/dbraw/zinc/31/68/29/363316829.db2.gz FOOGDJIJNVMOOH-GFCCVEGCSA-N 2 2 210.365 2.415 20 30 BEEDLP C=C(C)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109795535 355858885 /nfs/dbraw/zinc/85/88/85/355858885.db2.gz KQUPMHQICPXQFU-UHFFFAOYSA-N 2 2 205.305 2.096 20 30 BEEDLP C[C@@H](CCC#N)[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000351614939 356028143 /nfs/dbraw/zinc/02/81/43/356028143.db2.gz JIPIYVNLPMZQJX-ZDUSSCGKSA-N 2 2 235.375 2.239 20 30 BEEDLP C[C@H]1C[C@@H]([NH+](C)CC2(C#N)CCC2)CC[N@@H+]1C ZINC000336186453 134121427 /nfs/dbraw/zinc/12/14/27/134121427.db2.gz VGDRWSAYZSESDH-STQMWFEESA-N 2 2 235.375 2.095 20 30 BEEDLP C[C@H]1C[C@@H]([NH+](C)CC2(C#N)CCC2)CC[N@H+]1C ZINC000336186453 134121428 /nfs/dbraw/zinc/12/14/28/134121428.db2.gz VGDRWSAYZSESDH-STQMWFEESA-N 2 2 235.375 2.095 20 30 BEEDLP C[C@H]1C[C@@H]([N@H+](C)CC2(C#N)CCC2)CC[NH+]1C ZINC000336186453 134121429 /nfs/dbraw/zinc/12/14/29/134121429.db2.gz VGDRWSAYZSESDH-STQMWFEESA-N 2 2 235.375 2.095 20 30 BEEDLP C[C@H]1C[C@@H]([N@@H+](C)CC2(C#N)CCC2)CC[NH+]1C ZINC000336186453 134121430 /nfs/dbraw/zinc/12/14/30/134121430.db2.gz VGDRWSAYZSESDH-STQMWFEESA-N 2 2 235.375 2.095 20 30 BEEDLP C=CC[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[N@H+]2C)C1 ZINC000623634910 366313890 /nfs/dbraw/zinc/31/38/90/366313890.db2.gz GLZYHAFVFDHVOC-HZSPNIEDSA-N 2 2 222.376 2.415 20 30 BEEDLP C=CC[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[N@@H+]2C)C1 ZINC000623634910 366313898 /nfs/dbraw/zinc/31/38/98/366313898.db2.gz GLZYHAFVFDHVOC-HZSPNIEDSA-N 2 2 222.376 2.415 20 30 BEEDLP C=CCC[N@@H+]1CCC[C@@H]1C[NH+]1CCCC1 ZINC000172624354 357379270 /nfs/dbraw/zinc/37/92/70/357379270.db2.gz MRVJRGOVEVENFU-CYBMUJFWSA-N 2 2 208.349 2.123 20 30 BEEDLP C=CCC[N@H+]1CCC[C@@H]1C[NH+]1CCCC1 ZINC000172624354 357379275 /nfs/dbraw/zinc/37/92/75/357379275.db2.gz MRVJRGOVEVENFU-CYBMUJFWSA-N 2 2 208.349 2.123 20 30 BEEDLP C=CCCC[N@@H+](CC[NH3+])Cc1ccccc1 ZINC000231784445 357628879 /nfs/dbraw/zinc/62/88/79/357628879.db2.gz ZHLQSKLBGXXULD-UHFFFAOYSA-N 2 2 218.344 2.414 20 30 BEEDLP C=CCCC[N@H+](CC[NH3+])Cc1ccccc1 ZINC000231784445 357628883 /nfs/dbraw/zinc/62/88/83/357628883.db2.gz ZHLQSKLBGXXULD-UHFFFAOYSA-N 2 2 218.344 2.414 20 30 BEEDLP N#CCCCC[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000131811553 358695948 /nfs/dbraw/zinc/69/59/48/358695948.db2.gz QNIMNGFUSLUJMG-CQSZACIVSA-N 2 2 245.326 2.229 20 30 BEEDLP N#CCCCC[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000131811553 358695951 /nfs/dbraw/zinc/69/59/51/358695951.db2.gz QNIMNGFUSLUJMG-CQSZACIVSA-N 2 2 245.326 2.229 20 30 BEEDLP C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1cccc(C#N)c1 ZINC000423405606 192746384 /nfs/dbraw/zinc/74/63/84/192746384.db2.gz YDXIWTUWJDJJSK-CQDKDKBSSA-N 2 2 243.354 2.479 20 30 BEEDLP CC(C)(C#N)CC[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000611462451 359373491 /nfs/dbraw/zinc/37/34/91/359373491.db2.gz AIBBHSAJRARXDR-ZDUSSCGKSA-N 2 2 246.358 2.460 20 30 BEEDLP CC(C)(C#N)CC[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000611462451 359373494 /nfs/dbraw/zinc/37/34/94/359373494.db2.gz AIBBHSAJRARXDR-ZDUSSCGKSA-N 2 2 246.358 2.460 20 30 BEEDLP CC(C)[NH2+][C@@H]1CCC[N@H+](CCC(C)(C)C#N)C1 ZINC000611463088 359373507 /nfs/dbraw/zinc/37/35/07/359373507.db2.gz UMQAUSVGDANZNJ-CYBMUJFWSA-N 2 2 237.391 2.389 20 30 BEEDLP CC(C)[NH2+][C@@H]1CCC[N@@H+](CCC(C)(C)C#N)C1 ZINC000611463088 359373510 /nfs/dbraw/zinc/37/35/10/359373510.db2.gz UMQAUSVGDANZNJ-CYBMUJFWSA-N 2 2 237.391 2.389 20 30 BEEDLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@@](C)(C#N)C1 ZINC000612164437 359718190 /nfs/dbraw/zinc/71/81/90/359718190.db2.gz GFZDLJRJLAZFHO-KBPBESRZSA-N 2 2 235.375 2.096 20 30 BEEDLP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@@](C)(C#N)C1 ZINC000612164437 359718195 /nfs/dbraw/zinc/71/81/95/359718195.db2.gz GFZDLJRJLAZFHO-KBPBESRZSA-N 2 2 235.375 2.096 20 30 BEEDLP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612164437 359718198 /nfs/dbraw/zinc/71/81/98/359718198.db2.gz GFZDLJRJLAZFHO-KBPBESRZSA-N 2 2 235.375 2.096 20 30 BEEDLP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612164437 359718201 /nfs/dbraw/zinc/71/82/01/359718201.db2.gz GFZDLJRJLAZFHO-KBPBESRZSA-N 2 2 235.375 2.096 20 30 BEEDLP C[NH+](C)C1(C[NH2+]CC(C)(C)CCC#N)CCC1 ZINC000097927773 360382138 /nfs/dbraw/zinc/38/21/38/360382138.db2.gz GQJIOOHVBJZAGC-UHFFFAOYSA-N 2 2 237.391 2.390 20 30 BEEDLP C=CCOc1cccc(C[N@H+](CC)CC[NH3+])c1 ZINC000629655345 361560010 /nfs/dbraw/zinc/56/00/10/361560010.db2.gz VEGUJBSUVUJMHK-UHFFFAOYSA-N 2 2 234.343 2.032 20 30 BEEDLP C=CCOc1cccc(C[N@@H+](CC)CC[NH3+])c1 ZINC000629655345 361560012 /nfs/dbraw/zinc/56/00/12/361560012.db2.gz VEGUJBSUVUJMHK-UHFFFAOYSA-N 2 2 234.343 2.032 20 30 BEEDLP CC[NH2+]CCC[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000573474099 364842775 /nfs/dbraw/zinc/84/27/75/364842775.db2.gz HLYYJANZJQLDCV-NSHDSACASA-N 2 2 249.333 2.348 20 30 BEEDLP CC(C)(C)[NH+]1CCC([NH2+]CC2(C#N)CC2)CC1 ZINC000574624618 365104322 /nfs/dbraw/zinc/10/43/22/365104322.db2.gz RIBBQTGANITBSH-UHFFFAOYSA-N 2 2 235.375 2.143 20 30 BEEDLP C[C@@H]1CC[N@H+](CC[NH2+][C@H]2CCC[C@H](C#N)C2)C1 ZINC000618569897 369173497 /nfs/dbraw/zinc/17/34/97/369173497.db2.gz FIANVFLVJUTUHX-RDBSUJKOSA-N 2 2 235.375 2.000 20 30 BEEDLP C[C@@H]1CC[N@@H+](CC[NH2+][C@H]2CCC[C@H](C#N)C2)C1 ZINC000618569897 369173503 /nfs/dbraw/zinc/17/35/03/369173503.db2.gz FIANVFLVJUTUHX-RDBSUJKOSA-N 2 2 235.375 2.000 20 30 BEEDLP N#C[C@@H]1CCC[C@H]([NH2+]CCCCn2cc[nH+]c2)C1 ZINC000618565187 369173973 /nfs/dbraw/zinc/17/39/73/369173973.db2.gz JZMDOHAFAGXPNI-KGLIPLIRSA-N 2 2 246.358 2.335 20 30 BEEDLP C[C@@H]1CC[N@H+](CC[NH2+][C@@H]2CCC[C@H](C#N)C2)C1 ZINC000618569893 369175948 /nfs/dbraw/zinc/17/59/48/369175948.db2.gz FIANVFLVJUTUHX-HZSPNIEDSA-N 2 2 235.375 2.000 20 30 BEEDLP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2CCC[C@H](C#N)C2)C1 ZINC000618569893 369175955 /nfs/dbraw/zinc/17/59/55/369175955.db2.gz FIANVFLVJUTUHX-HZSPNIEDSA-N 2 2 235.375 2.000 20 30 BEEDLP N#Cc1ccc(C[NH2+][C@@H](C[NH3+])C2CCCCC2)o1 ZINC000600769271 369563709 /nfs/dbraw/zinc/56/37/09/369563709.db2.gz LBFBNWOTVZJLNF-AWEZNQCLSA-N 2 2 247.342 2.148 20 30 BEEDLP N#Cc1cccc(C[N@H+]2CCCCC[C@@H]([NH3+])C2)c1 ZINC000602022951 369736822 /nfs/dbraw/zinc/73/68/22/369736822.db2.gz UQZOXTPZCBHZSH-OAHLLOKOSA-N 2 2 243.354 2.262 20 30 BEEDLP N#Cc1cccc(C[N@@H+]2CCCCC[C@@H]([NH3+])C2)c1 ZINC000602022951 369736825 /nfs/dbraw/zinc/73/68/25/369736825.db2.gz UQZOXTPZCBHZSH-OAHLLOKOSA-N 2 2 243.354 2.262 20 30 BEEDLP C[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2)[C@H]1C[NH3+] ZINC000252213195 370002430 /nfs/dbraw/zinc/00/24/30/370002430.db2.gz WXOJJJZGDYXRQW-WFASDCNBSA-N 2 2 243.354 2.117 20 30 BEEDLP C[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)[C@H]1C[NH3+] ZINC000252213195 370002435 /nfs/dbraw/zinc/00/24/35/370002435.db2.gz WXOJJJZGDYXRQW-WFASDCNBSA-N 2 2 243.354 2.117 20 30 BEEDLP C=CC[C@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@H+]2C)C1 ZINC000623786730 371091820 /nfs/dbraw/zinc/09/18/20/371091820.db2.gz GLZYHAFVFDHVOC-IHRRRGAJSA-N 2 2 222.376 2.415 20 30 BEEDLP C=CC[C@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2C)C1 ZINC000623786730 371091826 /nfs/dbraw/zinc/09/18/26/371091826.db2.gz GLZYHAFVFDHVOC-IHRRRGAJSA-N 2 2 222.376 2.415 20 30 BEEDLP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1ccccc1C#N ZINC000133537879 372071189 /nfs/dbraw/zinc/07/11/89/372071189.db2.gz AEQBKQLQNULYQD-HNNXBMFYSA-N 2 2 245.370 2.363 20 30 BEEDLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1ccccc1C#N ZINC000133537879 372071192 /nfs/dbraw/zinc/07/11/92/372071192.db2.gz AEQBKQLQNULYQD-HNNXBMFYSA-N 2 2 245.370 2.363 20 30 BEEDLP C[C@H]([NH2+][C@H]1CCC[N@H+](C)C1)c1cccc(C#N)c1 ZINC000040673127 373592470 /nfs/dbraw/zinc/59/24/70/373592470.db2.gz CVSIARMOESSYAQ-WFASDCNBSA-N 2 2 243.354 2.303 20 30 BEEDLP C[C@H]([NH2+][C@H]1CCC[N@@H+](C)C1)c1cccc(C#N)c1 ZINC000040673127 373592478 /nfs/dbraw/zinc/59/24/78/373592478.db2.gz CVSIARMOESSYAQ-WFASDCNBSA-N 2 2 243.354 2.303 20 30 BEEDLP C=CC[NH+]1CCC([NH2+][C@H](C)C2(C)CC2)CC1 ZINC000167403741 206145427 /nfs/dbraw/zinc/14/54/27/206145427.db2.gz TXMIZKLDGWJEEA-GFCCVEGCSA-N 2 2 222.376 2.415 20 30 BEEDLP C#CC[N@H+](CCCn1cc[nH+]c1)C1CCCC1 ZINC000182848590 384293349 /nfs/dbraw/zinc/29/33/49/384293349.db2.gz GJDKSVMDSKECIC-UHFFFAOYSA-N 2 2 231.343 2.151 20 30 BEEDLP C#CC[N@@H+](CCCn1cc[nH+]c1)C1CCCC1 ZINC000182848590 384293356 /nfs/dbraw/zinc/29/33/56/384293356.db2.gz GJDKSVMDSKECIC-UHFFFAOYSA-N 2 2 231.343 2.151 20 30 BEEDLP C=C(CC)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000313495661 384426325 /nfs/dbraw/zinc/42/63/25/384426325.db2.gz XSEXLPFQDUCATM-NWDGAFQWSA-N 2 2 208.349 2.167 20 30 BEEDLP C=C(CC)C[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000313495661 384426334 /nfs/dbraw/zinc/42/63/34/384426334.db2.gz XSEXLPFQDUCATM-NWDGAFQWSA-N 2 2 208.349 2.167 20 30 BEEDLP C[C@@H](CC#N)[NH+](C)C/C=C/C[N@@H+](C)[C@@H](C)CC#N ZINC000161880781 384538176 /nfs/dbraw/zinc/53/81/76/384538176.db2.gz ZVVIGZNAECGDAF-BEVHLOIGSA-N 2 2 248.374 2.011 20 30 BEEDLP C[C@@H](CC#N)[NH+](C)C/C=C/C[N@H+](C)[C@@H](C)CC#N ZINC000161880781 384538178 /nfs/dbraw/zinc/53/81/78/384538178.db2.gz ZVVIGZNAECGDAF-BEVHLOIGSA-N 2 2 248.374 2.011 20 30 BEEDLP C=C(C)C[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000156470666 384863231 /nfs/dbraw/zinc/86/32/31/384863231.db2.gz VVJWXLZKICLDPV-STQMWFEESA-N 2 2 219.332 2.342 20 30 BEEDLP C=C(C)C[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000156470666 384863241 /nfs/dbraw/zinc/86/32/41/384863241.db2.gz VVJWXLZKICLDPV-STQMWFEESA-N 2 2 219.332 2.342 20 30 BEEDLP C=C[C@@H](C)[NH2+]CCCc1c[nH+]ccc1C ZINC000309130997 385431098 /nfs/dbraw/zinc/43/10/98/385431098.db2.gz QZIJIYNJAMVZOU-GFCCVEGCSA-N 2 2 204.317 2.487 20 30 BEEDLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H](C#N)C2)C1 ZINC000595056146 385618656 /nfs/dbraw/zinc/61/86/56/385618656.db2.gz BKBQOAZYOHMYRH-UPJWGTAASA-N 2 2 235.375 2.141 20 30 BEEDLP CC(C)(C)[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H](C#N)C2)C1 ZINC000595056146 385618659 /nfs/dbraw/zinc/61/86/59/385618659.db2.gz BKBQOAZYOHMYRH-UPJWGTAASA-N 2 2 235.375 2.141 20 30 BEEDLP C[NH+](C)C1(C[NH2+][C@H]2CCC[C@@H](C#N)C2)CCC1 ZINC000618577469 385873051 /nfs/dbraw/zinc/87/30/51/385873051.db2.gz JRCZKQQYLCARAP-OLZOCXBDSA-N 2 2 235.375 2.143 20 30 BEEDLP C=CCOc1ccc(C[N@H+]2CCC[C@H]2C[NH3+])cc1 ZINC000347033992 386223436 /nfs/dbraw/zinc/22/34/36/386223436.db2.gz BOSNFLHUZCHQPL-AWEZNQCLSA-N 2 2 246.354 2.175 20 30 BEEDLP C=CCOc1ccc(C[N@@H+]2CCC[C@H]2C[NH3+])cc1 ZINC000347033992 386223438 /nfs/dbraw/zinc/22/34/38/386223438.db2.gz BOSNFLHUZCHQPL-AWEZNQCLSA-N 2 2 246.354 2.175 20 30 BEEDLP C=CC[C@@H](C)[C@H](C)[NH2+]CC1([NH+](C)C)CC1 ZINC000417357734 386493840 /nfs/dbraw/zinc/49/38/40/386493840.db2.gz RXQNDEGHJOXBRS-NEPJUHHUSA-N 2 2 210.365 2.271 20 30 BEEDLP C=CCC[C@H]([NH2+]CC1([NH+](C)C)CC1)C1CC1 ZINC000417355477 386493955 /nfs/dbraw/zinc/49/39/55/386493955.db2.gz NSPLFLUUSSNTDV-ZDUSSCGKSA-N 2 2 222.376 2.415 20 30 BEEDLP CC1CC[NH+](CC[NH2+][C@H]2CC[C@H](C#N)C2)CC1 ZINC000442725920 386577653 /nfs/dbraw/zinc/57/76/53/386577653.db2.gz QOIMCRZXBITQPY-KBPBESRZSA-N 2 2 235.375 2.000 20 30 BEEDLP C#C[C@@H](C)[NH2+]Cc1c[nH+]c(C)n1-c1ccccc1 ZINC000123130356 386537714 /nfs/dbraw/zinc/53/77/14/386537714.db2.gz QGVAZYBLSVFOKM-GFCCVEGCSA-N 2 2 239.322 2.292 20 30 BEEDLP CC[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H](C)C#N ZINC000228756631 387124866 /nfs/dbraw/zinc/12/48/66/387124866.db2.gz WHZHWKPDYDOELD-KBPBESRZSA-N 2 2 237.391 2.342 20 30 BEEDLP CC[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H](C)C#N ZINC000228756631 387124868 /nfs/dbraw/zinc/12/48/68/387124868.db2.gz WHZHWKPDYDOELD-KBPBESRZSA-N 2 2 237.391 2.342 20 30 BEEDLP CC[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@@H](C)C#N ZINC000228756631 387124871 /nfs/dbraw/zinc/12/48/71/387124871.db2.gz WHZHWKPDYDOELD-KBPBESRZSA-N 2 2 237.391 2.342 20 30 BEEDLP CC[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@@H](C)C#N ZINC000228756631 387124876 /nfs/dbraw/zinc/12/48/76/387124876.db2.gz WHZHWKPDYDOELD-KBPBESRZSA-N 2 2 237.391 2.342 20 30 BEEDLP N#C[C@@H]1CC[C@H]([NH2+]Cc2cccc3[nH+]ccn32)C1 ZINC000571909404 387192035 /nfs/dbraw/zinc/19/20/35/387192035.db2.gz GYILGLRPGJPALK-NEPJUHHUSA-N 2 2 240.310 2.116 20 30 BEEDLP C=CCC[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccco1 ZINC000423433703 387283090 /nfs/dbraw/zinc/28/30/90/387283090.db2.gz NKNOKYLXBTYJQN-CZXHOFHRSA-N 2 2 232.327 2.094 20 30 BEEDLP C=C(Cl)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000269632189 387421077 /nfs/dbraw/zinc/42/10/77/387421077.db2.gz LXRAMBSPDRCUDP-SNVBAGLBSA-N 2 2 225.723 2.342 20 30 BEEDLP C=C(Cl)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000269632189 387421079 /nfs/dbraw/zinc/42/10/79/387421079.db2.gz LXRAMBSPDRCUDP-SNVBAGLBSA-N 2 2 225.723 2.342 20 30 BEEDLP N#C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)C1 ZINC000528001149 387808538 /nfs/dbraw/zinc/80/85/38/387808538.db2.gz LPOWCSVSZZBKTP-NFAWXSAZSA-N 2 2 247.386 2.285 20 30 BEEDLP N#C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)C1 ZINC000528001149 387808540 /nfs/dbraw/zinc/80/85/40/387808540.db2.gz LPOWCSVSZZBKTP-NFAWXSAZSA-N 2 2 247.386 2.285 20 30 BEEDLP C=CC[NH+]1CCC([NH2+][C@H](C)[C@H]2CC23CC3)CC1 ZINC000527859236 387760275 /nfs/dbraw/zinc/76/02/75/387760275.db2.gz ODUQMDIFAPRHQS-TZMCWYRMSA-N 2 2 234.387 2.415 20 30 BEEDLP CC(C)C[C@H](C[NH2+][C@H]1CC[C@@H](C#N)C1)[NH+](C)C ZINC000442711245 387827279 /nfs/dbraw/zinc/82/72/79/387827279.db2.gz DTIZFPHBACOCTK-HZSPNIEDSA-N 2 2 237.391 2.245 20 30 BEEDLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000442775673 387836752 /nfs/dbraw/zinc/83/67/52/387836752.db2.gz AXZLCLWFKJNRQO-MGPQQGTHSA-N 2 2 235.375 2.143 20 30 BEEDLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000442775673 387836754 /nfs/dbraw/zinc/83/67/54/387836754.db2.gz AXZLCLWFKJNRQO-MGPQQGTHSA-N 2 2 235.375 2.143 20 30 BEEDLP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000442782956 387838883 /nfs/dbraw/zinc/83/88/83/387838883.db2.gz PEPPMYLQEMKHJI-LXTVHRRPSA-N 2 2 249.402 2.389 20 30 BEEDLP C=CCC[C@H](CC)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643537204 387875796 /nfs/dbraw/zinc/87/57/96/387875796.db2.gz AWLRPJUVMGMOOS-SRVKXCTJSA-N 2 2 214.328 2.021 20 30 BEEDLP C[NH+](C)C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000036192119 387876152 /nfs/dbraw/zinc/87/61/52/387876152.db2.gz IHZISEQZBJPHJY-UHFFFAOYSA-N 2 2 243.354 2.084 20 30 BEEDLP C[C@H]1CC[N@H+](CCCC#N)C[C@H]1n1cc[nH+]c1 ZINC000246306618 388030621 /nfs/dbraw/zinc/03/06/21/388030621.db2.gz QGQGXFQNKHMABN-QWHCGFSZSA-N 2 2 232.331 2.070 20 30 BEEDLP C[C@H]1CC[N@@H+](CCCC#N)C[C@H]1n1cc[nH+]c1 ZINC000246306618 388030624 /nfs/dbraw/zinc/03/06/24/388030624.db2.gz QGQGXFQNKHMABN-QWHCGFSZSA-N 2 2 232.331 2.070 20 30 BEEDLP CC(C)[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000423272208 388050722 /nfs/dbraw/zinc/05/07/22/388050722.db2.gz JPYSHYKLPZSZSV-HZMBPMFUSA-N 2 2 249.333 2.331 20 30 BEEDLP C#CC[N@H+](CC#CC)CCCc1ccc(C)[nH+]c1 ZINC000490740474 388251940 /nfs/dbraw/zinc/25/19/40/388251940.db2.gz OZNUZFAWCLJVGT-UHFFFAOYSA-N 2 2 240.350 2.281 20 30 BEEDLP C#CC[N@@H+](CC#CC)CCCc1ccc(C)[nH+]c1 ZINC000490740474 388251943 /nfs/dbraw/zinc/25/19/43/388251943.db2.gz OZNUZFAWCLJVGT-UHFFFAOYSA-N 2 2 240.350 2.281 20 30 BEEDLP C=C(C)CC[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000449480834 388215576 /nfs/dbraw/zinc/21/55/76/388215576.db2.gz ZYSBWBWIUKIYLR-DGCLKSJQSA-N 2 2 208.349 2.025 20 30 BEEDLP C=C(C)CC[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000449480834 388215577 /nfs/dbraw/zinc/21/55/77/388215577.db2.gz ZYSBWBWIUKIYLR-DGCLKSJQSA-N 2 2 208.349 2.025 20 30 BEEDLP C#C[C@@H](C)[N@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000491371189 388288994 /nfs/dbraw/zinc/28/89/94/388288994.db2.gz DBDZJACKNBVIJT-LLVKDONJSA-N 2 2 245.351 2.387 20 30 BEEDLP C#C[C@@H](C)[N@@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000491371189 388288995 /nfs/dbraw/zinc/28/89/95/388288995.db2.gz DBDZJACKNBVIJT-LLVKDONJSA-N 2 2 245.351 2.387 20 30 BEEDLP C#C[C@@H](CC)[NH2+]Cc1c[nH+]c2c(C)cccn12 ZINC000491665268 388309546 /nfs/dbraw/zinc/30/95/46/388309546.db2.gz RRBNSZGIRKORQL-LBPRGKRZSA-N 2 2 227.311 2.144 20 30 BEEDLP C=CCC[C@H]([NH2+]CC[NH+]1CCCC1)C1CC1 ZINC000125286933 388671041 /nfs/dbraw/zinc/67/10/41/388671041.db2.gz CYNCYDWLCLVESF-AWEZNQCLSA-N 2 2 222.376 2.417 20 30 BEEDLP C[C@@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1ccc(C#N)cc1 ZINC000422966483 388686305 /nfs/dbraw/zinc/68/63/05/388686305.db2.gz AGXBMTZYZMLCEQ-TYNCELHUSA-N 2 2 243.354 2.349 20 30 BEEDLP C=CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000154552006 388626742 /nfs/dbraw/zinc/62/67/42/388626742.db2.gz UIGRHHWEVIKLDL-AVGNSLFASA-N 2 2 210.365 2.271 20 30 BEEDLP C=CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000154552006 388626745 /nfs/dbraw/zinc/62/67/45/388626745.db2.gz UIGRHHWEVIKLDL-AVGNSLFASA-N 2 2 210.365 2.271 20 30 BEEDLP C=CCC[C@@H](CC)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000154608235 388634653 /nfs/dbraw/zinc/63/46/53/388634653.db2.gz QCQUIKGAZACIEJ-CHWSQXEVSA-N 2 2 210.365 2.415 20 30 BEEDLP C=CCC[C@@H](CC)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000154608235 388634655 /nfs/dbraw/zinc/63/46/55/388634655.db2.gz QCQUIKGAZACIEJ-CHWSQXEVSA-N 2 2 210.365 2.415 20 30 BEEDLP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1Cc1cccc(C#N)c1 ZINC000063191706 388659917 /nfs/dbraw/zinc/65/99/17/388659917.db2.gz LEZNUOQMVKRVSK-WFASDCNBSA-N 2 2 243.354 2.260 20 30 BEEDLP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1Cc1cccc(C#N)c1 ZINC000063191706 388659921 /nfs/dbraw/zinc/65/99/21/388659921.db2.gz LEZNUOQMVKRVSK-WFASDCNBSA-N 2 2 243.354 2.260 20 30 BEEDLP CC[C@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccc(C#N)cc1 ZINC000423179460 388688767 /nfs/dbraw/zinc/68/87/67/388688767.db2.gz DJSZOOSBYHPWSM-GJZGRUSLSA-N 2 2 243.354 2.351 20 30 BEEDLP CCC[NH2+]CC[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000423314191 388690803 /nfs/dbraw/zinc/69/08/03/388690803.db2.gz VLSMISCDQJPVCS-GFCCVEGCSA-N 2 2 231.343 2.208 20 30 BEEDLP CCC[NH2+]CC[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000423307245 388691533 /nfs/dbraw/zinc/69/15/33/388691533.db2.gz GKVRMLRBUBOQSM-LLVKDONJSA-N 2 2 249.333 2.348 20 30 BEEDLP C[C@H](C[NH2+][C@@H]1CCC[C@@H](C#N)C1)[N@H+](C)C1CC1 ZINC000253354847 388815069 /nfs/dbraw/zinc/81/50/69/388815069.db2.gz MTOPLRIAHWVTOQ-JHJVBQTASA-N 2 2 235.375 2.141 20 30 BEEDLP C[C@H](C[NH2+][C@@H]1CCC[C@@H](C#N)C1)[N@@H+](C)C1CC1 ZINC000253354847 388815072 /nfs/dbraw/zinc/81/50/72/388815072.db2.gz MTOPLRIAHWVTOQ-JHJVBQTASA-N 2 2 235.375 2.141 20 30 BEEDLP C[C@H](C[NH2+][C@H]1CCC[C@@H](C#N)C1)[N@H+](C)C1CC1 ZINC000253354848 388815753 /nfs/dbraw/zinc/81/57/53/388815753.db2.gz MTOPLRIAHWVTOQ-UPJWGTAASA-N 2 2 235.375 2.141 20 30 BEEDLP C[C@H](C[NH2+][C@H]1CCC[C@@H](C#N)C1)[N@@H+](C)C1CC1 ZINC000253354848 388815757 /nfs/dbraw/zinc/81/57/57/388815757.db2.gz MTOPLRIAHWVTOQ-UPJWGTAASA-N 2 2 235.375 2.141 20 30 BEEDLP C[C@H]([NH2+]C1CC[NH2+]CC1)c1ccc(C#N)cc1F ZINC000335007903 388827325 /nfs/dbraw/zinc/82/73/25/388827325.db2.gz AZAABBICWJFOAN-JTQLQIEISA-N 2 2 247.317 2.100 20 30 BEEDLP C[C@@H](C#N)C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000541764266 388867731 /nfs/dbraw/zinc/86/77/31/388867731.db2.gz YMQWPMJJZHKHRO-JTQLQIEISA-N 2 2 246.339 2.183 20 30 BEEDLP C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)[C@@H]1CCC[NH2+]1 ZINC000400325849 533503373 /nfs/dbraw/zinc/50/33/73/533503373.db2.gz AGXBMTZYZMLCEQ-ZOWXZIJZSA-N 2 2 243.354 2.349 20 30 BEEDLP C[C@@H]([NH2+][C@H]1CCCC[NH2+]C1)c1cccc(C#N)c1 ZINC000335498173 133867589 /nfs/dbraw/zinc/86/75/89/133867589.db2.gz FDTBUFFXQSPWDF-DOMZBBRYSA-N 2 2 243.354 2.351 20 30 BEEDLP N#C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCCn3cc[nH+]c32)C1 ZINC000331625481 134000877 /nfs/dbraw/zinc/00/08/77/134000877.db2.gz YKXBKTYJJKQFBZ-FRRDWIJNSA-N 2 2 244.342 2.042 20 30 BEEDLP C[N@@H+]1CCC[C@H]1C[NH2+]C1CCC(C)(C#N)CC1 ZINC000336217401 134137685 /nfs/dbraw/zinc/13/76/85/134137685.db2.gz FSWLUWHSPJHOEG-MOKVOYLWSA-N 2 2 235.375 2.143 20 30 BEEDLP C[N@H+]1CCC[C@H]1C[NH2+]C1CCC(C)(C#N)CC1 ZINC000336217401 134137686 /nfs/dbraw/zinc/13/76/86/134137686.db2.gz FSWLUWHSPJHOEG-MOKVOYLWSA-N 2 2 235.375 2.143 20 30 BEEDLP C[N@@H+]1CC[C@H]2CC[NH+](CC(C)(C)CCC#N)[C@H]2C1 ZINC000360676334 134201673 /nfs/dbraw/zinc/20/16/73/134201673.db2.gz ZQMQLHFNNODHLQ-KBPBESRZSA-N 2 2 249.402 2.342 20 30 BEEDLP C[N@H+]1CC[C@H]2CC[NH+](CC(C)(C)CCC#N)[C@H]2C1 ZINC000360676334 134201674 /nfs/dbraw/zinc/20/16/74/134201674.db2.gz ZQMQLHFNNODHLQ-KBPBESRZSA-N 2 2 249.402 2.342 20 30 BEEDLP C[NH+]1CC[C@H]2CC[N@H+](CC(C)(C)CCC#N)[C@H]2C1 ZINC000360676334 134201675 /nfs/dbraw/zinc/20/16/75/134201675.db2.gz ZQMQLHFNNODHLQ-KBPBESRZSA-N 2 2 249.402 2.342 20 30 BEEDLP C[NH+]1CC[C@H]2CC[N@@H+](CC(C)(C)CCC#N)[C@H]2C1 ZINC000360676334 134201676 /nfs/dbraw/zinc/20/16/76/134201676.db2.gz ZQMQLHFNNODHLQ-KBPBESRZSA-N 2 2 249.402 2.342 20 30 BEEDLP C#CCCC[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000224307241 134346138 /nfs/dbraw/zinc/34/61/38/134346138.db2.gz YPIXJMNSRDFZKT-UHFFFAOYSA-N 2 2 243.354 2.053 20 30 BEEDLP N#C[C@H]1CC[C@@H]([NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000331485011 135011889 /nfs/dbraw/zinc/01/18/89/135011889.db2.gz AHFJQVPVFMCKHT-RBDSIQFVSA-N 2 2 241.338 2.413 20 30 BEEDLP C=CCOc1cccc(C[N@H+]2C[C@H](C)[C@H]([NH3+])C2)c1 ZINC000262032257 135275205 /nfs/dbraw/zinc/27/52/05/135275205.db2.gz OEBXBNBZNMHLJT-SWLSCSKDSA-N 2 2 246.354 2.030 20 30 BEEDLP C=CCOc1cccc(C[N@@H+]2C[C@H](C)[C@H]([NH3+])C2)c1 ZINC000262032257 135275207 /nfs/dbraw/zinc/27/52/07/135275207.db2.gz OEBXBNBZNMHLJT-SWLSCSKDSA-N 2 2 246.354 2.030 20 30 BEEDLP C=CC[NH2+][C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000284342807 135371549 /nfs/dbraw/zinc/37/15/49/135371549.db2.gz RGYKNRRHZZGGBE-KBPBESRZSA-N 2 2 216.328 2.207 20 30 BEEDLP C=CC[NH2+][C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000284342807 135371551 /nfs/dbraw/zinc/37/15/51/135371551.db2.gz RGYKNRRHZZGGBE-KBPBESRZSA-N 2 2 216.328 2.207 20 30 BEEDLP CC[C@H](CC#N)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000545168076 398131764 /nfs/dbraw/zinc/13/17/64/398131764.db2.gz UTNAGGIWKUKWBL-CYBMUJFWSA-N 2 2 235.375 2.143 20 30 BEEDLP C=CCC[C@@H](C)[NH2+]CC[NH+]1CCCCC1 ZINC000096034293 166292345 /nfs/dbraw/zinc/29/23/45/166292345.db2.gz BVHFZMCWXJBJKW-CYBMUJFWSA-N 2 2 210.365 2.417 20 30 BEEDLP C=CC[C@@H]1CC[C@@H]([NH2+][C@H]2CCC[N@@H+](C)C2)C1 ZINC000651685028 411135849 /nfs/dbraw/zinc/13/58/49/411135849.db2.gz GRCIVNBIXRHKAX-MCIONIFRSA-N 2 2 222.376 2.415 20 30 BEEDLP C=CC[C@@H]1CC[C@@H]([NH2+][C@H]2CCC[N@H+](C)C2)C1 ZINC000651685028 411135850 /nfs/dbraw/zinc/13/58/50/411135850.db2.gz GRCIVNBIXRHKAX-MCIONIFRSA-N 2 2 222.376 2.415 20 30 BEEDLP CCC[NH+]1CCC([NH2+][C@@H](CC)CC#N)CC1 ZINC000049555372 411240092 /nfs/dbraw/zinc/24/00/92/411240092.db2.gz TXEKOJXOKWOEFN-LBPRGKRZSA-N 2 2 223.364 2.143 20 30 BEEDLP C=CCC[NH2+]Cc1c[nH+]c2c(C)cccn12 ZINC000657582817 411554576 /nfs/dbraw/zinc/55/45/76/411554576.db2.gz HXSSMHHVLVEOOR-UHFFFAOYSA-N 2 2 215.300 2.308 20 30 BEEDLP CC#CC[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660677794 411616803 /nfs/dbraw/zinc/61/68/03/411616803.db2.gz JGKXOUJOVQQKRN-UHFFFAOYSA-N 2 2 242.366 2.264 20 30 BEEDLP C=CCC1([NH2+]Cc2c[nH+]c[nH]2)CCCC1 ZINC000661852591 411902551 /nfs/dbraw/zinc/90/25/51/411902551.db2.gz ZULDJIYCYBRVJR-UHFFFAOYSA-N 2 2 205.305 2.388 20 30 BEEDLP C#C[C@H]([NH2+]Cc1c[nH+]cn1C(C)C)C(C)C ZINC000300870310 527410614 /nfs/dbraw/zinc/41/06/14/527410614.db2.gz HMVVWMSBDLGTBB-ZDUSSCGKSA-N 2 2 219.332 2.211 20 30 BEEDLP CC[C@H](CC#N)[NH2+]CC[C@H]1CCCC[N@@H+]1C ZINC000566982299 323030487 /nfs/dbraw/zinc/03/04/87/323030487.db2.gz UJFHPYWKTRZBBC-CHWSQXEVSA-N 2 2 223.364 2.143 20 30 BEEDLP CC[C@H](CC#N)[NH2+]CC[C@H]1CCCC[N@H+]1C ZINC000566982299 323030488 /nfs/dbraw/zinc/03/04/88/323030488.db2.gz UJFHPYWKTRZBBC-CHWSQXEVSA-N 2 2 223.364 2.143 20 30 BEEDLP C=CCC[C@@H](C)[NH2+][C@@H]1CC[N@@H+](CCC)C1 ZINC000389339383 488090681 /nfs/dbraw/zinc/09/06/81/488090681.db2.gz IXEQSCCLCNFZJV-CHWSQXEVSA-N 2 2 210.365 2.415 20 30 BEEDLP C=CCC[C@@H](C)[NH2+][C@@H]1CC[N@H+](CCC)C1 ZINC000389339383 488090687 /nfs/dbraw/zinc/09/06/87/488090687.db2.gz IXEQSCCLCNFZJV-CHWSQXEVSA-N 2 2 210.365 2.415 20 30 BEEDLP C=CCC[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000668483714 490296156 /nfs/dbraw/zinc/29/61/56/490296156.db2.gz ZGTSEAORSDZPFR-UHFFFAOYSA-N 2 2 204.317 2.488 20 30 BEEDLP C=CCCC[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000309140723 534735875 /nfs/dbraw/zinc/73/58/75/534735875.db2.gz SYBLDWBZWZISLW-AAEUAGOBSA-N 2 2 208.349 2.025 20 30 BEEDLP C=CCCC[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000309140723 534735886 /nfs/dbraw/zinc/73/58/86/534735886.db2.gz SYBLDWBZWZISLW-AAEUAGOBSA-N 2 2 208.349 2.025 20 30 BEEDLP C=CCOc1ccc(C[N@H+]2C[C@@H](C)[C@H]([NH3+])C2)cc1 ZINC000261924587 534883493 /nfs/dbraw/zinc/88/34/93/534883493.db2.gz BZLLEHPOXCEUDU-IUODEOHRSA-N 2 2 246.354 2.030 20 30 BEEDLP C=CCOc1ccc(C[N@@H+]2C[C@@H](C)[C@H]([NH3+])C2)cc1 ZINC000261924587 534883496 /nfs/dbraw/zinc/88/34/96/534883496.db2.gz BZLLEHPOXCEUDU-IUODEOHRSA-N 2 2 246.354 2.030 20 30 BEEDLP C[C@@H]1CCCCN1[NH+]=Cc1c[nH+]ccc1N(C)C ZINC000853378630 588739023 /nfs/dbraw/zinc/73/90/23/588739023.db2.gz AGHNNCMAGLFUDN-GFCCVEGCSA-N 2 2 246.358 2.356 20 30 BEEDLP CN(C)c1cc[nH+]cc1C=[NH+]OCC1CCC1 ZINC000853439972 588742985 /nfs/dbraw/zinc/74/29/85/588742985.db2.gz UXPFZHVXNOXSFB-UHFFFAOYSA-N 2 2 233.315 2.298 20 30 BEEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ocnc2C)CC1 ZINC000894229076 583384469 /nfs/dbraw/zinc/38/44/69/583384469.db2.gz MDCUHBRKOCKNFT-UHFFFAOYSA-N 2 2 249.358 2.113 20 30 BEEDLP C#CCCCCCC[NH2+]C[C@H]1CC[N@H+]1CC ZINC000895672180 583706710 /nfs/dbraw/zinc/70/67/10/583706710.db2.gz QZSAPGCSZQPVDQ-CQSZACIVSA-N 2 2 222.376 2.254 20 30 BEEDLP C#CCCCCCC[NH2+]C[C@H]1CC[N@@H+]1CC ZINC000895672180 583706711 /nfs/dbraw/zinc/70/67/11/583706711.db2.gz QZSAPGCSZQPVDQ-CQSZACIVSA-N 2 2 222.376 2.254 20 30 BEEDLP CC#CC[N@H+](C)CCCc1ccc(C)[nH+]c1 ZINC000897167969 583887559 /nfs/dbraw/zinc/88/75/59/583887559.db2.gz YOPGSZLNZHTIOK-UHFFFAOYSA-N 2 2 216.328 2.278 20 30 BEEDLP CC#CC[N@@H+](C)CCCc1ccc(C)[nH+]c1 ZINC000897167969 583887560 /nfs/dbraw/zinc/88/75/60/583887560.db2.gz YOPGSZLNZHTIOK-UHFFFAOYSA-N 2 2 216.328 2.278 20 30 BEEDLP C=C(Cl)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000729932350 584030286 /nfs/dbraw/zinc/03/02/86/584030286.db2.gz ZGUIBWMMCUWENV-LLVKDONJSA-N 2 2 225.723 2.273 20 30 BEEDLP C=C(Cl)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000729932350 584030287 /nfs/dbraw/zinc/03/02/87/584030287.db2.gz ZGUIBWMMCUWENV-LLVKDONJSA-N 2 2 225.723 2.273 20 30 BEEDLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000898314331 584110945 /nfs/dbraw/zinc/11/09/45/584110945.db2.gz USTMJSLOLCKAIC-MCIONIFRSA-N 2 2 237.391 2.245 20 30 BEEDLP C[C@@H]([NH2+][C@H]1C[NH2+]CC1(C)C)c1ccc(C#N)cc1 ZINC000902450819 584606782 /nfs/dbraw/zinc/60/67/82/584606782.db2.gz UMMJZCFMDCTYGV-RISCZKNCSA-N 2 2 243.354 2.207 20 30 BEEDLP C[N@@H+]1CC[C@H]([NH2+]CC2(C#N)CCC2)[C@H]2CCC[C@@H]21 ZINC000903035671 584719688 /nfs/dbraw/zinc/71/96/88/584719688.db2.gz SHJLDOUYLTWMIZ-RDBSUJKOSA-N 2 2 247.386 2.143 20 30 BEEDLP C[N@H+]1CC[C@H]([NH2+]CC2(C#N)CCC2)[C@H]2CCC[C@@H]21 ZINC000903035671 584719690 /nfs/dbraw/zinc/71/96/90/584719690.db2.gz SHJLDOUYLTWMIZ-RDBSUJKOSA-N 2 2 247.386 2.143 20 30 BEEDLP C=CCC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H]1C)C1CC1 ZINC000903301858 584744819 /nfs/dbraw/zinc/74/48/19/584744819.db2.gz WERSUMCREACETB-UBHSHLNASA-N 2 2 222.376 2.413 20 30 BEEDLP C=CCC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H]1C)C1CC1 ZINC000903301858 584744820 /nfs/dbraw/zinc/74/48/20/584744820.db2.gz WERSUMCREACETB-UBHSHLNASA-N 2 2 222.376 2.413 20 30 BEEDLP N#Cc1cc(Cl)cc(C[NH+]2CCC([NH3+])CC2)c1 ZINC000903422314 584764377 /nfs/dbraw/zinc/76/43/77/584764377.db2.gz XWFPUYGWPJMFQD-UHFFFAOYSA-N 2 2 249.745 2.135 20 30 BEEDLP C[NH2+][C@@H]1CC[N@H+](CCCCC2(C#N)CCC2)C1 ZINC000903713542 584793435 /nfs/dbraw/zinc/79/34/35/584793435.db2.gz VBCNLAYUYLIUPW-CYBMUJFWSA-N 2 2 235.375 2.144 20 30 BEEDLP C[NH2+][C@@H]1CC[N@@H+](CCCCC2(C#N)CCC2)C1 ZINC000903713542 584793436 /nfs/dbraw/zinc/79/34/36/584793436.db2.gz VBCNLAYUYLIUPW-CYBMUJFWSA-N 2 2 235.375 2.144 20 30 BEEDLP C=CCOCC[NH2+]CCCc1c[nH+]ccc1C ZINC000809636780 586510379 /nfs/dbraw/zinc/51/03/79/586510379.db2.gz DUNQQHJSANYLCL-UHFFFAOYSA-N 2 2 234.343 2.115 20 30 BEEDLP CN(C)c1cc[nH+]cc1C=[NH+]OCCC1CC1 ZINC000814244928 586619941 /nfs/dbraw/zinc/61/99/41/586619941.db2.gz FRPJDXYTYFGGMV-UHFFFAOYSA-N 2 2 233.315 2.298 20 30 BEEDLP C=CC[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1ccncc1 ZINC000817895302 586834972 /nfs/dbraw/zinc/83/49/72/586834972.db2.gz XQOFMNBQAMKYLR-QEJZJMRPSA-N 2 2 245.370 2.429 20 30 BEEDLP C=CC[C@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]1)c1ccncc1 ZINC000817895303 586835045 /nfs/dbraw/zinc/83/50/45/586835045.db2.gz XQOFMNBQAMKYLR-SNPRPXQTSA-N 2 2 245.370 2.429 20 30 BEEDLP C=CC[C@@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]1)c1ccncc1 ZINC000817895304 586835159 /nfs/dbraw/zinc/83/51/59/586835159.db2.gz XQOFMNBQAMKYLR-VHDGCEQUSA-N 2 2 245.370 2.429 20 30 BEEDLP C#CC[N@@H+](Cc1c[nH+]c(C)n1C)C1CCCC1 ZINC000824902107 587292427 /nfs/dbraw/zinc/29/24/27/587292427.db2.gz RGKSACRYKVMGRZ-UHFFFAOYSA-N 2 2 231.343 2.106 20 30 BEEDLP C#CC[N@H+](Cc1c[nH+]c(C)n1C)C1CCCC1 ZINC000824902107 587292429 /nfs/dbraw/zinc/29/24/29/587292429.db2.gz RGKSACRYKVMGRZ-UHFFFAOYSA-N 2 2 231.343 2.106 20 30 BEEDLP CC[N@@H+]1CC[C@H]([NH2+]CC2(C#N)CCCC2)[C@@H](C)C1 ZINC000846011770 588253542 /nfs/dbraw/zinc/25/35/42/588253542.db2.gz ZBMNSWXDQFJBBN-KBPBESRZSA-N 2 2 249.402 2.390 20 30 BEEDLP CC[N@H+]1CC[C@H]([NH2+]CC2(C#N)CCCC2)[C@@H](C)C1 ZINC000846011770 588253543 /nfs/dbraw/zinc/25/35/43/588253543.db2.gz ZBMNSWXDQFJBBN-KBPBESRZSA-N 2 2 249.402 2.390 20 30 BEEDLP C[C@H](CC/[NH+]=C/c1ccccc1O)[NH+](C)C ZINC000849170500 588459513 /nfs/dbraw/zinc/45/95/13/588459513.db2.gz QEYBKKBYSKMQLH-ZTMOJVSCSA-N 2 2 220.316 2.151 20 30 BEEDLP C=C(Cl)C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000852108892 588664446 /nfs/dbraw/zinc/66/44/46/588664446.db2.gz PEJBSRWSIUYKDR-LBPRGKRZSA-N 2 2 228.767 2.157 20 30 BEEDLP C=C(Cl)C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000852108892 588664447 /nfs/dbraw/zinc/66/44/47/588664447.db2.gz PEJBSRWSIUYKDR-LBPRGKRZSA-N 2 2 228.767 2.157 20 30 BEEDLP C=C(Cl)C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000852108892 588664448 /nfs/dbraw/zinc/66/44/48/588664448.db2.gz PEJBSRWSIUYKDR-LBPRGKRZSA-N 2 2 228.767 2.157 20 30 BEEDLP C=C(Cl)C[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000852108892 588664449 /nfs/dbraw/zinc/66/44/49/588664449.db2.gz PEJBSRWSIUYKDR-LBPRGKRZSA-N 2 2 228.767 2.157 20 30 BEEDLP Cc1c[nH+]ccc1NN=Cc1c[nH+]cn1C(C)C ZINC000863157689 589263856 /nfs/dbraw/zinc/26/38/56/589263856.db2.gz FYKBEQMNBBGCST-UHFFFAOYSA-N 2 2 243.314 2.035 20 30 BEEDLP C#CCCCCCC[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000876961551 590261434 /nfs/dbraw/zinc/26/14/34/590261434.db2.gz HTWYCKBZOUUVLS-CQSZACIVSA-N 2 2 222.376 2.254 20 30 BEEDLP C#CCCCCCC[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000876961551 590261435 /nfs/dbraw/zinc/26/14/35/590261435.db2.gz HTWYCKBZOUUVLS-CQSZACIVSA-N 2 2 222.376 2.254 20 30 BEEDLP C#CCCCCCC[NH2+]C[C@H]1CCC[N@H+]1C ZINC000876985949 590265276 /nfs/dbraw/zinc/26/52/76/590265276.db2.gz XULTYVGKEHGJER-CQSZACIVSA-N 2 2 222.376 2.254 20 30 BEEDLP C#CCCCCCC[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000876985949 590265278 /nfs/dbraw/zinc/26/52/78/590265278.db2.gz XULTYVGKEHGJER-CQSZACIVSA-N 2 2 222.376 2.254 20 30 BEEDLP C[C@@H](CCC#N)C[NH2+]CC[N@@H+]1CCC[C@@H]1C ZINC000877154745 590293491 /nfs/dbraw/zinc/29/34/91/590293491.db2.gz YQEKFYMCZQCQPF-STQMWFEESA-N 2 2 223.364 2.000 20 30 BEEDLP C[C@@H](CCC#N)C[NH2+]CC[N@H+]1CCC[C@@H]1C ZINC000877154745 590293493 /nfs/dbraw/zinc/29/34/93/590293493.db2.gz YQEKFYMCZQCQPF-STQMWFEESA-N 2 2 223.364 2.000 20 30 BEEDLP C#CCCCCCC[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000877429679 590325746 /nfs/dbraw/zinc/32/57/46/590325746.db2.gz KTPCACAABAXSKS-CQSZACIVSA-N 2 2 245.370 2.371 20 30 BEEDLP C#CCCCCC[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000878302166 590538890 /nfs/dbraw/zinc/53/88/90/590538890.db2.gz INFOYNOTGCDXJW-AWEZNQCLSA-N 2 2 245.370 2.403 20 30 BEEDLP C#CCCCCC[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000878302166 590538891 /nfs/dbraw/zinc/53/88/91/590538891.db2.gz INFOYNOTGCDXJW-AWEZNQCLSA-N 2 2 245.370 2.403 20 30 BEEDLP C#CCCCCC[N@@H+](C)CCCn1cc[nH+]c1 ZINC000878319130 590544118 /nfs/dbraw/zinc/54/41/18/590544118.db2.gz KPEXQXGZPABKPD-UHFFFAOYSA-N 2 2 233.359 2.399 20 30 BEEDLP C#CCCCCC[N@H+](C)CCCn1cc[nH+]c1 ZINC000878319130 590544121 /nfs/dbraw/zinc/54/41/21/590544121.db2.gz KPEXQXGZPABKPD-UHFFFAOYSA-N 2 2 233.359 2.399 20 30 BEEDLP CCC#C[C@@H](C)[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000880473977 591053363 /nfs/dbraw/zinc/05/33/63/591053363.db2.gz RTCAGLZEXLPYHW-CQSZACIVSA-N 2 2 234.387 2.349 20 30 BEEDLP C=CC[C@H](C)[NH2+]c1ccc(OCC[NH3+])cc1 ZINC000883424910 591652816 /nfs/dbraw/zinc/65/28/16/591652816.db2.gz GZDSDDSBVPMVMV-NSHDSACASA-N 2 2 220.316 2.401 20 30 BEEDLP C=C(Cl)C[NH2+][C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000222094990 592467659 /nfs/dbraw/zinc/46/76/59/592467659.db2.gz UHBYNHQEJBBFJR-GXSJLCMTSA-N 2 2 216.756 2.059 20 30 BEEDLP C=C(Cl)C[NH2+][C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000222094990 592467661 /nfs/dbraw/zinc/46/76/61/592467661.db2.gz UHBYNHQEJBBFJR-GXSJLCMTSA-N 2 2 216.756 2.059 20 30 BEEDLP CCCCCCCC[N@@H+]1CCO[C@H](C[NH3+])C1 ZINC000104694439 592621053 /nfs/dbraw/zinc/62/10/53/592621053.db2.gz WFRVMRDYMGPDOC-CYBMUJFWSA-N 2 2 228.380 2.006 20 30 BEEDLP CCCCCCCC[N@H+]1CCO[C@H](C[NH3+])C1 ZINC000104694439 592621054 /nfs/dbraw/zinc/62/10/54/592621054.db2.gz WFRVMRDYMGPDOC-CYBMUJFWSA-N 2 2 228.380 2.006 20 30 BEEDLP N#CC1(C[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)CCCCC1 ZINC000925711649 634411627 /nfs/dbraw/zinc/41/16/27/634411627.db2.gz ZGQAZQOAXSVFSE-STQMWFEESA-N 2 2 247.386 2.320 20 30 BEEDLP C[C@H](CC(C)(C)C#N)[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000925197012 636376219 /nfs/dbraw/zinc/37/62/19/636376219.db2.gz JTRJSANGLTXVQD-QWHCGFSZSA-N 2 2 237.391 2.246 20 30 BEEDLP C[C@H](CC(C)(C)C#N)[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000925197012 636376224 /nfs/dbraw/zinc/37/62/24/636376224.db2.gz JTRJSANGLTXVQD-QWHCGFSZSA-N 2 2 237.391 2.246 20 30 BEEDLP C#CCCC[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000174614400 636562492 /nfs/dbraw/zinc/56/24/92/636562492.db2.gz ZYSPJGAIBZILHX-UHFFFAOYSA-N 2 2 239.322 2.375 20 30 BEEDLP C=CC[C@H]1CC[N@H+]1CCCc1c[nH+]cn1C ZINC000934458634 641153511 /nfs/dbraw/zinc/15/35/11/641153511.db2.gz BLSVQILVAQGCTJ-LBPRGKRZSA-N 2 2 219.332 2.003 20 30 BEEDLP C=CC[C@H]1CC[N@@H+]1CCCc1c[nH+]cn1C ZINC000934458634 641153521 /nfs/dbraw/zinc/15/35/21/641153521.db2.gz BLSVQILVAQGCTJ-LBPRGKRZSA-N 2 2 219.332 2.003 20 30 BEEDLP C[C@H](CC(C)(C)C#N)[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000925013402 646158394 /nfs/dbraw/zinc/15/83/94/646158394.db2.gz VADVJFAGLWRSIL-TZMCWYRMSA-N 2 2 249.402 2.389 20 30 BEEDLP C[C@H](CC(C)(C)C#N)[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000925013402 646158398 /nfs/dbraw/zinc/15/83/98/646158398.db2.gz VADVJFAGLWRSIL-TZMCWYRMSA-N 2 2 249.402 2.389 20 30 BEEDLP C=CCCOCC[NH2+][C@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925625178 646371179 /nfs/dbraw/zinc/37/11/79/646371179.db2.gz GKCXMMCYLRBGPI-ZFWWWQNUSA-N 2 2 248.370 2.257 20 30 BEEDLP C[C@@H](CC(C)(C)C#N)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000926228421 646599671 /nfs/dbraw/zinc/59/96/71/646599671.db2.gz HRXWSFNQNHFTCQ-NWDGAFQWSA-N 2 2 246.358 2.116 20 30 BEEDLP C#CCCCCC[NH+]1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000720433304 712842094 /nfs/dbraw/zinc/84/20/94/712842094.db2.gz PNXFCICQIHJMIL-HUUCEWRRSA-N 2 2 234.387 2.349 20 30 BEEDLP C#CCCCCC[NH+]1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000720433304 712842096 /nfs/dbraw/zinc/84/20/96/712842096.db2.gz PNXFCICQIHJMIL-HUUCEWRRSA-N 2 2 234.387 2.349 20 30 BEEDLP C#CCCCCC[N@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC000720433304 712842099 /nfs/dbraw/zinc/84/20/99/712842099.db2.gz PNXFCICQIHJMIL-HUUCEWRRSA-N 2 2 234.387 2.349 20 30 BEEDLP C#CCCCCC[N@@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC000720433304 712842102 /nfs/dbraw/zinc/84/21/02/712842102.db2.gz PNXFCICQIHJMIL-HUUCEWRRSA-N 2 2 234.387 2.349 20 30 BEEDLP