smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C#CCCCCC(=O)N1CCC[C@H]([N@H+](CCO)Cc2nccs2)C1 ZINC001566030071 1125505188 /nfs/dbraw/zinc/50/51/88/1125505188.db2.gz AGAKFWBVJJXGIR-INIZCTEOSA-N 1 2 349.500 2.122 10 30 EEEELO C#CCCCCC(=O)N1CCC[C@H]([N@@H+](CCO)Cc2nccs2)C1 ZINC001566030071 1125505194 /nfs/dbraw/zinc/50/51/94/1125505194.db2.gz AGAKFWBVJJXGIR-INIZCTEOSA-N 1 2 349.500 2.122 10 30 EEEELO C=C[C@](C)(O)CC(=O)N1C[C@@H]2C[N@@H+](C/C(Cl)=C\Cl)CC[C@@H]2C1 ZINC001566042929 1125519947 /nfs/dbraw/zinc/51/99/47/1125519947.db2.gz HTRFTTNHOGQCJK-NWGKBUIASA-N 1 2 347.286 2.413 10 30 EEEELO C=C[C@](C)(O)CC(=O)N1C[C@@H]2C[N@H+](C/C(Cl)=C\Cl)CC[C@@H]2C1 ZINC001566042929 1125519954 /nfs/dbraw/zinc/51/99/54/1125519954.db2.gz HTRFTTNHOGQCJK-NWGKBUIASA-N 1 2 347.286 2.413 10 30 EEEELO C=C(Br)C[N@H+]1CC[C@@](C)(NC(=O)CC[C@@H]2CCCO2)C1 ZINC001439832910 1092826433 /nfs/dbraw/zinc/82/64/33/1092826433.db2.gz JEQHRRCRSGDQAM-DZGCQCFKSA-N 1 2 345.281 2.435 10 30 EEEELO C=C(Br)C[N@@H+]1CC[C@@](C)(NC(=O)CC[C@@H]2CCCO2)C1 ZINC001439832910 1092826443 /nfs/dbraw/zinc/82/64/43/1092826443.db2.gz JEQHRRCRSGDQAM-DZGCQCFKSA-N 1 2 345.281 2.435 10 30 EEEELO CCC(CC)C(=O)NC[C@]1(O)CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001439975147 1093094581 /nfs/dbraw/zinc/09/45/81/1093094581.db2.gz ASVYTRGIHZZUJG-LJQANCHMSA-N 1 2 347.434 2.187 10 30 EEEELO CCC(CC)C(=O)NC[C@]1(O)CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001439975147 1093094591 /nfs/dbraw/zinc/09/45/91/1093094591.db2.gz ASVYTRGIHZZUJG-LJQANCHMSA-N 1 2 347.434 2.187 10 30 EEEELO C=C(Cl)CN1CC[NH+]([C@H]2CCN(C(=O)C[C@@H](C)SC)C2)CC1 ZINC001440386681 1093559969 /nfs/dbraw/zinc/55/99/69/1093559969.db2.gz BCHKGHXYMQFWMR-CABCVRRESA-N 1 2 345.940 2.099 10 30 EEEELO CC[C@@H]1[C@@H](NC(=O)[C@@H](C)C#N)CC[N@@H+]1CC(=O)Nc1cccc(C)c1 ZINC001440424921 1093621781 /nfs/dbraw/zinc/62/17/81/1093621781.db2.gz TYBWDALBRMNDFO-BHYGNILZSA-N 1 2 342.443 2.062 10 30 EEEELO CC[C@@H]1[C@@H](NC(=O)[C@@H](C)C#N)CC[N@H+]1CC(=O)Nc1cccc(C)c1 ZINC001440424921 1093621783 /nfs/dbraw/zinc/62/17/83/1093621783.db2.gz TYBWDALBRMNDFO-BHYGNILZSA-N 1 2 342.443 2.062 10 30 EEEELO Cc1nocc1C[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H](C)C#N ZINC001440693417 1093945983 /nfs/dbraw/zinc/94/59/83/1093945983.db2.gz ZEMKDJUJWJIRLG-ACJLOTCBSA-N 1 2 338.411 2.358 10 30 EEEELO Cc1nocc1C[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H](C)C#N ZINC001440693417 1093945986 /nfs/dbraw/zinc/94/59/86/1093945986.db2.gz ZEMKDJUJWJIRLG-ACJLOTCBSA-N 1 2 338.411 2.358 10 30 EEEELO C[C@H](C#N)C(=O)NC[C@H]1CCCCC[N@@H+]1Cc1cn(C(C)(C)C)nn1 ZINC001441141939 1094478092 /nfs/dbraw/zinc/47/80/92/1094478092.db2.gz TWNHJCUQYYKGGE-GDBMZVCRSA-N 1 2 346.479 2.054 10 30 EEEELO C[C@H](C#N)C(=O)NC[C@H]1CCCCC[N@H+]1Cc1cn(C(C)(C)C)nn1 ZINC001441141939 1094478096 /nfs/dbraw/zinc/47/80/96/1094478096.db2.gz TWNHJCUQYYKGGE-GDBMZVCRSA-N 1 2 346.479 2.054 10 30 EEEELO C=C(Cl)C[N@@H+](C)CCN(C(=O)CC[C@@]1(C)CCC(=O)N1)C(C)C ZINC001442127267 1096364536 /nfs/dbraw/zinc/36/45/36/1096364536.db2.gz HVMCKZQOQMFNLR-QGZVFWFLSA-N 1 2 343.899 2.357 10 30 EEEELO C=C(Cl)C[N@H+](C)CCN(C(=O)CC[C@@]1(C)CCC(=O)N1)C(C)C ZINC001442127267 1096364544 /nfs/dbraw/zinc/36/45/44/1096364544.db2.gz HVMCKZQOQMFNLR-QGZVFWFLSA-N 1 2 343.899 2.357 10 30 EEEELO COC[C@@H](C)[C@@H](C)C(=O)NCC[N@H+](C)Cc1cc(C#N)ccc1F ZINC001442419684 1096742937 /nfs/dbraw/zinc/74/29/37/1096742937.db2.gz FWSXBJHQSDTJHW-ZIAGYGMSSA-N 1 2 335.423 2.164 10 30 EEEELO COC[C@@H](C)[C@@H](C)C(=O)NCC[N@@H+](C)Cc1cc(C#N)ccc1F ZINC001442419684 1096742941 /nfs/dbraw/zinc/74/29/41/1096742941.db2.gz FWSXBJHQSDTJHW-ZIAGYGMSSA-N 1 2 335.423 2.164 10 30 EEEELO C=C(Br)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)CSC ZINC001442781133 1097157769 /nfs/dbraw/zinc/15/77/69/1097157769.db2.gz QDYIAFZSUYMGMN-CMPLNLGQSA-N 1 2 335.311 2.475 10 30 EEEELO C=C(Br)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)CSC ZINC001442781133 1097157771 /nfs/dbraw/zinc/15/77/71/1097157771.db2.gz QDYIAFZSUYMGMN-CMPLNLGQSA-N 1 2 335.311 2.475 10 30 EEEELO N#Cc1ccc(C[N@H+]2CC[C@@H](CNC(=O)C(F)C(F)(F)F)C2)s1 ZINC001442853630 1097246897 /nfs/dbraw/zinc/24/68/97/1097246897.db2.gz GXKNPSBMQCRLLU-JOYOIKCWSA-N 1 2 349.353 2.458 10 30 EEEELO N#Cc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)C(F)C(F)(F)F)C2)s1 ZINC001442853630 1097246901 /nfs/dbraw/zinc/24/69/01/1097246901.db2.gz GXKNPSBMQCRLLU-JOYOIKCWSA-N 1 2 349.353 2.458 10 30 EEEELO N#Cc1ccc(C[N@H+]2CC[C@@H](CNC(=O)[C@@H](F)C(F)(F)F)C2)s1 ZINC001442853630 1097246908 /nfs/dbraw/zinc/24/69/08/1097246908.db2.gz GXKNPSBMQCRLLU-JOYOIKCWSA-N 1 2 349.353 2.458 10 30 EEEELO N#Cc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)[C@@H](F)C(F)(F)F)C2)s1 ZINC001442853630 1097246913 /nfs/dbraw/zinc/24/69/13/1097246913.db2.gz GXKNPSBMQCRLLU-JOYOIKCWSA-N 1 2 349.353 2.458 10 30 EEEELO CC[C@@H]1[C@@H](NC(=O)C#CC(C)C)CC[N@@H+]1Cc1csnc1OC ZINC001479634745 1098662874 /nfs/dbraw/zinc/66/28/74/1098662874.db2.gz ILURSALCGYHOOH-LSDHHAIUSA-N 1 2 335.473 2.280 10 30 EEEELO CC[C@@H]1[C@@H](NC(=O)C#CC(C)C)CC[N@H+]1Cc1csnc1OC ZINC001479634745 1098662877 /nfs/dbraw/zinc/66/28/77/1098662877.db2.gz ILURSALCGYHOOH-LSDHHAIUSA-N 1 2 335.473 2.280 10 30 EEEELO CCc1nnc([C@@H](C)[NH+]2CCC(N(C)C(=O)C#CC3CC3)CC2)o1 ZINC001479888100 1099260521 /nfs/dbraw/zinc/26/05/21/1099260521.db2.gz XFJWPAKEOODOTN-CYBMUJFWSA-N 1 2 330.432 2.029 10 30 EEEELO CO[C@H](C(=O)N[C@H]1CCC[N@H+](CC#Cc2ccccc2)C1)C1CCC1 ZINC001479907503 1099297108 /nfs/dbraw/zinc/29/71/08/1099297108.db2.gz BNLSBBGSASLMID-PMACEKPBSA-N 1 2 340.467 2.434 10 30 EEEELO CO[C@H](C(=O)N[C@H]1CCC[N@@H+](CC#Cc2ccccc2)C1)C1CCC1 ZINC001479907503 1099297114 /nfs/dbraw/zinc/29/71/14/1099297114.db2.gz BNLSBBGSASLMID-PMACEKPBSA-N 1 2 340.467 2.434 10 30 EEEELO C=CCOCC(=O)N[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2OC)C1 ZINC001479948678 1099375782 /nfs/dbraw/zinc/37/57/82/1099375782.db2.gz UTXZJIKNNOACTO-HNNXBMFYSA-N 1 2 338.835 2.242 10 30 EEEELO C=CCOCC(=O)N[C@H]1CC[N@H+](Cc2ccc(Cl)cc2OC)C1 ZINC001479948678 1099375794 /nfs/dbraw/zinc/37/57/94/1099375794.db2.gz UTXZJIKNNOACTO-HNNXBMFYSA-N 1 2 338.835 2.242 10 30 EEEELO C=C(C)CCC(=O)N[C@H]1CC[N@@H+](CC(=O)N[C@H](C)c2cccs2)C1 ZINC001479954371 1099392305 /nfs/dbraw/zinc/39/23/05/1099392305.db2.gz GZEXYGNMHLDHGK-CABCVRRESA-N 1 2 349.500 2.472 10 30 EEEELO C=C(C)CCC(=O)N[C@H]1CC[N@H+](CC(=O)N[C@H](C)c2cccs2)C1 ZINC001479954371 1099392316 /nfs/dbraw/zinc/39/23/16/1099392316.db2.gz GZEXYGNMHLDHGK-CABCVRRESA-N 1 2 349.500 2.472 10 30 EEEELO CCCN(C(=O)C#CC(C)C)C1CC[NH+](Cc2cnnn2CC)CC1 ZINC001479992713 1099455159 /nfs/dbraw/zinc/45/51/59/1099455159.db2.gz ANYCHLDHUZJCNZ-UHFFFAOYSA-N 1 2 345.491 2.160 10 30 EEEELO C[C@H](C#N)C(=O)N1CCCC[C@@H]1CC[NH2+]Cc1noc(C(C)(C)C)n1 ZINC001496389249 1100981448 /nfs/dbraw/zinc/98/14/48/1100981448.db2.gz KVRCUXXMXQVWMW-ZIAGYGMSSA-N 1 2 347.463 2.388 10 30 EEEELO CO[C@H]1CCC[C@H]1C(=O)N(C)CC[N@H+](C)Cc1cc(C#N)ccc1F ZINC001496728553 1101353632 /nfs/dbraw/zinc/35/36/32/1101353632.db2.gz HOBKRWPONITUET-AEFFLSMTSA-N 1 2 347.434 2.403 10 30 EEEELO CO[C@H]1CCC[C@H]1C(=O)N(C)CC[N@@H+](C)Cc1cc(C#N)ccc1F ZINC001496728553 1101353647 /nfs/dbraw/zinc/35/36/47/1101353647.db2.gz HOBKRWPONITUET-AEFFLSMTSA-N 1 2 347.434 2.403 10 30 EEEELO C#CCCCC(=O)N(C)[C@H](C)C[NH2+]Cc1ncn(-c2ccccc2)n1 ZINC001496041816 1101971742 /nfs/dbraw/zinc/97/17/42/1101971742.db2.gz QPXTYMROXDSLDA-MRXNPFEDSA-N 1 2 339.443 2.007 10 30 EEEELO CC(C)C#CC(=O)NC/C=C/C[NH2+][C@H](C)c1nc(C(C)(C)C)no1 ZINC001497580734 1102694894 /nfs/dbraw/zinc/69/48/94/1102694894.db2.gz YEGGGBAKNGAYLE-HSBSLETESA-N 1 2 332.448 2.350 10 30 EEEELO C=CC(C)(C)C(=O)N1CCC([C@H](C)NC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001497603992 1102735679 /nfs/dbraw/zinc/73/56/79/1102735679.db2.gz KASNRELLBIIJHG-AWEZNQCLSA-N 1 2 346.475 2.298 10 30 EEEELO C=CC(C)(C)C(=O)N1CCC([C@H](C)NC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001497603992 1102735689 /nfs/dbraw/zinc/73/56/89/1102735689.db2.gz KASNRELLBIIJHG-AWEZNQCLSA-N 1 2 346.475 2.298 10 30 EEEELO C=C[C@](C)(O)CC(=O)NC[C@H]([NH2+]Cc1ocnc1C)c1ccccc1 ZINC001493889175 1103049502 /nfs/dbraw/zinc/04/95/02/1103049502.db2.gz KWUOSXOPWMAZIE-LPHOPBHVSA-N 1 2 343.427 2.257 10 30 EEEELO C=CCCO[C@@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cncs1 ZINC001493908169 1103100927 /nfs/dbraw/zinc/10/09/27/1103100927.db2.gz LHXGEKFWSUOCPF-SOUVJXGZSA-N 1 2 335.473 2.300 10 30 EEEELO C=CCCO[C@@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cncs1 ZINC001493908169 1103100933 /nfs/dbraw/zinc/10/09/33/1103100933.db2.gz LHXGEKFWSUOCPF-SOUVJXGZSA-N 1 2 335.473 2.300 10 30 EEEELO COC[C@@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1C#N ZINC001493910987 1103102684 /nfs/dbraw/zinc/10/26/84/1103102684.db2.gz ACPBNUUINKXKDR-OLMNPRSZSA-N 1 2 327.428 2.016 10 30 EEEELO COC[C@@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1C#N ZINC001493910987 1103102689 /nfs/dbraw/zinc/10/26/89/1103102689.db2.gz ACPBNUUINKXKDR-OLMNPRSZSA-N 1 2 327.428 2.016 10 30 EEEELO C=CCCOCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)c1cnc(C)cn1 ZINC001493929464 1103133358 /nfs/dbraw/zinc/13/33/58/1103133358.db2.gz BMEFMIGBYIIEHK-YESZJQIVSA-N 1 2 344.459 2.114 10 30 EEEELO C=CCCOCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)c1cnc(C)cn1 ZINC001493929464 1103133368 /nfs/dbraw/zinc/13/33/68/1103133368.db2.gz BMEFMIGBYIIEHK-YESZJQIVSA-N 1 2 344.459 2.114 10 30 EEEELO CCCN(C(=O)C#CC1CC1)[C@H]1CC[N@H+](Cc2csnc2OC)C1 ZINC001493950974 1103182767 /nfs/dbraw/zinc/18/27/67/1103182767.db2.gz MBUCYVZGMPWOSO-INIZCTEOSA-N 1 2 347.484 2.378 10 30 EEEELO CCCN(C(=O)C#CC1CC1)[C@H]1CC[N@@H+](Cc2csnc2OC)C1 ZINC001493950974 1103182771 /nfs/dbraw/zinc/18/27/71/1103182771.db2.gz MBUCYVZGMPWOSO-INIZCTEOSA-N 1 2 347.484 2.378 10 30 EEEELO C#CCCCCCC(=O)NC1CCC(NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001494546613 1104141821 /nfs/dbraw/zinc/14/18/21/1104141821.db2.gz HPZRUQDMUDGCHY-UHFFFAOYSA-N 1 2 344.459 2.080 10 30 EEEELO C=CCCCC(=O)NC1CCC(NC(=O)CCc2c[nH+]cn2C)CC1 ZINC001494547583 1104142606 /nfs/dbraw/zinc/14/26/06/1104142606.db2.gz UZKSVORNBNWILY-UHFFFAOYSA-N 1 2 346.475 2.253 10 30 EEEELO C=C[C@H](CC(=O)NC[C@@H](C)[NH2+]Cc1cnsn1)c1ccccc1 ZINC001480598619 1106739173 /nfs/dbraw/zinc/73/91/73/1106739173.db2.gz RQQZJRMUNYHGDI-ZIAGYGMSSA-N 1 2 330.457 2.492 10 30 EEEELO C=CC[C@H](C(=O)N1CC[C@H]([NH2+]Cc2nc(C)no2)C1)c1ccccc1 ZINC001480625614 1106788901 /nfs/dbraw/zinc/78/89/01/1106788901.db2.gz WJIOOOXQCWURMQ-IRXDYDNUSA-N 1 2 340.427 2.428 10 30 EEEELO C=C[C@](C)(O)CC(=O)N1CCC[C@@H]([N@H+](C)Cc2csc(C)n2)C1 ZINC001480725416 1106975732 /nfs/dbraw/zinc/97/57/32/1106975732.db2.gz QCTULKOPYHDSSR-WBVHZDCISA-N 1 2 337.489 2.201 10 30 EEEELO C=C[C@](C)(O)CC(=O)N1CCC[C@@H]([N@@H+](C)Cc2csc(C)n2)C1 ZINC001480725416 1106975745 /nfs/dbraw/zinc/97/57/45/1106975745.db2.gz QCTULKOPYHDSSR-WBVHZDCISA-N 1 2 337.489 2.201 10 30 EEEELO CCc1ccc(NC(=O)C[N@H+](C)C[C@H](C)NC(=O)C#CC(C)C)cc1 ZINC001498275308 1107196912 /nfs/dbraw/zinc/19/69/12/1107196912.db2.gz DADIAYNGIMUGCP-INIZCTEOSA-N 1 2 343.471 2.283 10 30 EEEELO CCc1ccc(NC(=O)C[N@@H+](C)C[C@H](C)NC(=O)C#CC(C)C)cc1 ZINC001498275308 1107196919 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C=C(C)CCC(=O)N[C@@H]1CCC[N@H+](CC(=O)Nc2cc(C)no2)CC1 ZINC001484715539 1191480064 /nfs/dbraw/zinc/48/00/64/1191480064.db2.gz RIKDUYRRBXOTOP-OAHLLOKOSA-N 1 2 348.447 2.249 10 30 EEEELO C=C(C)CCC(=O)N[C@@H]1CCC[N@@H+](CC(=O)Nc2cc(C)no2)CC1 ZINC001484715539 1191480067 /nfs/dbraw/zinc/48/00/67/1191480067.db2.gz RIKDUYRRBXOTOP-OAHLLOKOSA-N 1 2 348.447 2.249 10 30 EEEELO CCCCCCC[NH+]1CC2(C1)CN(C(=O)c1nccc(C)n1)CCO2 ZINC001484774700 1191515908 /nfs/dbraw/zinc/51/59/08/1191515908.db2.gz OONGUYPALOFYKN-UHFFFAOYSA-N 1 2 346.475 2.282 10 30 EEEELO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)C1(CCOCC)CCC1)O2 ZINC001484782284 1191518678 /nfs/dbraw/zinc/51/86/78/1191518678.db2.gz MOSDNTQBDFTFDG-INIZCTEOSA-N 1 2 336.476 2.119 10 30 EEEELO C=CCOCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cccc(C)c1C)CO2 ZINC001484802501 1191524678 /nfs/dbraw/zinc/52/46/78/1191524678.db2.gz QQBNVLUNPPYGRD-QGZVFWFLSA-N 1 2 344.455 2.079 10 30 EEEELO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H](C)c1c(C)noc1C)O2 ZINC001484787761 1191525890 /nfs/dbraw/zinc/52/58/90/1191525890.db2.gz KPTZZJIPEPEPNI-CJNGLKHVSA-N 1 2 347.459 2.321 10 30 EEEELO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H](C)Cc1ccco1)O2 ZINC001484787830 1191525973 /nfs/dbraw/zinc/52/59/73/1191525973.db2.gz MKACEYOZMXUCBK-DOTOQJQBSA-N 1 2 332.444 2.384 10 30 EEEELO C=CC(C)(C)C(=O)N1CCC[C@@H]1C[N@@H+](C)CC(=O)Nc1cc(C)no1 ZINC001485065550 1191634314 /nfs/dbraw/zinc/63/43/14/1191634314.db2.gz MDAPHEDGWXUKFQ-CQSZACIVSA-N 1 2 348.447 2.057 10 30 EEEELO C=CC(C)(C)C(=O)N1CCC[C@@H]1C[N@H+](C)CC(=O)Nc1cc(C)no1 ZINC001485065550 1191634316 /nfs/dbraw/zinc/63/43/16/1191634316.db2.gz MDAPHEDGWXUKFQ-CQSZACIVSA-N 1 2 348.447 2.057 10 30 EEEELO C#Cc1cccc(NC(=O)C[N@@H+](C)[C@H](C)CNC(=O)CCC=C)c1 ZINC001485284460 1191716620 /nfs/dbraw/zinc/71/66/20/1191716620.db2.gz NHCDCAALVVZKBQ-OAHLLOKOSA-N 1 2 327.428 2.009 10 30 EEEELO C#Cc1cccc(NC(=O)C[N@H+](C)[C@H](C)CNC(=O)CCC=C)c1 ZINC001485284460 1191716621 /nfs/dbraw/zinc/71/66/21/1191716621.db2.gz NHCDCAALVVZKBQ-OAHLLOKOSA-N 1 2 327.428 2.009 10 30 EEEELO C=C[C@H](CC)CC(=O)N(C)C[C@H]1CCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001486562137 1194076224 /nfs/dbraw/zinc/07/62/24/1194076224.db2.gz QYWWZUHKUSCMEY-HZPDHXFCSA-N 1 2 346.475 2.312 10 30 EEEELO C=CCN1CC[C@@H]([N@H+]2CC[C@H]2CN(C)C(=O)C(C)(CC)CC)C1=O ZINC001691678227 1197479702 /nfs/dbraw/zinc/47/97/02/1197479702.db2.gz LCPWZDTZIVPUMB-JKSUJKDBSA-N 1 2 335.492 2.132 10 30 EEEELO C=CCN1CC[C@@H]([N@@H+]2CC[C@H]2CN(C)C(=O)C(C)(CC)CC)C1=O ZINC001691678227 1197479703 /nfs/dbraw/zinc/47/97/03/1197479703.db2.gz LCPWZDTZIVPUMB-JKSUJKDBSA-N 1 2 335.492 2.132 10 30 EEEELO C#CCN(C(=O)NC[C@H]1C[N@H+](Cc2cccc(C)c2)CCO1)C1CC1 ZINC000876195942 1199537563 /nfs/dbraw/zinc/53/75/63/1199537563.db2.gz WSZHKZZQGWPPOI-IBGZPJMESA-N 1 2 341.455 2.003 10 30 EEEELO C#CCN(C(=O)NC[C@H]1C[N@@H+](Cc2cccc(C)c2)CCO1)C1CC1 ZINC000876195942 1199537565 /nfs/dbraw/zinc/53/75/65/1199537565.db2.gz WSZHKZZQGWPPOI-IBGZPJMESA-N 1 2 341.455 2.003 10 30 EEEELO C=C(C)C[C@H]([NH2+]C[C@@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2)C(=O)OC ZINC000877689193 1200032446 /nfs/dbraw/zinc/03/24/46/1200032446.db2.gz AKADRLDWENMVDS-QWQRMKEZSA-N 1 2 338.448 2.341 10 30 EEEELO N#Cc1cccc(ONC(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)c1 ZINC000870692395 1200816155 /nfs/dbraw/zinc/81/61/55/1200816155.db2.gz CIPIFEZVRKPGAU-KRWDZBQOSA-N 1 2 336.395 2.275 10 30 EEEELO N#Cc1cccc(ONC(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)c1 ZINC000870692395 1200816162 /nfs/dbraw/zinc/81/61/62/1200816162.db2.gz CIPIFEZVRKPGAU-KRWDZBQOSA-N 1 2 336.395 2.275 10 30 EEEELO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)Nc1cnn(Cc2ccc(C#N)cc2)c1 ZINC000871179874 1201088421 /nfs/dbraw/zinc/08/84/21/1201088421.db2.gz URMYOAWTXGIIGZ-IAGOWNOFSA-N 1 2 346.394 2.279 10 30 EEEELO C#CCC1(O)CC[NH+](CC(=O)Nc2ccccc2SCC#N)CC1 ZINC000880480615 1201498781 /nfs/dbraw/zinc/49/87/81/1201498781.db2.gz YQIJRCGLZMDYAL-UHFFFAOYSA-N 1 2 343.452 2.091 10 30 EEEELO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1ccccc1NCC(F)(F)F ZINC000884198716 1202260428 /nfs/dbraw/zinc/26/04/28/1202260428.db2.gz DSAFYQVWRYYHRU-JTQLQIEISA-N 1 2 345.321 2.046 10 30 EEEELO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H](C)C1(c2ccccc2)CCCC1 ZINC000884333667 1202295172 /nfs/dbraw/zinc/29/51/72/1202295172.db2.gz UYMNPHDQPQVZQS-RDJZCZTQSA-N 1 2 344.455 2.450 10 30 EEEELO C#CC[C@H]1CC[N@@H+](Cc2nc3cc(S(=O)(=O)CC)ccc3o2)C1 ZINC000886359996 1202496529 /nfs/dbraw/zinc/49/65/29/1202496529.db2.gz NDRFJJDGMDFFNU-ZDUSSCGKSA-N 1 2 332.425 2.467 10 30 EEEELO C#CC[C@H]1CC[N@H+](Cc2nc3cc(S(=O)(=O)CC)ccc3o2)C1 ZINC000886359996 1202496531 /nfs/dbraw/zinc/49/65/31/1202496531.db2.gz NDRFJJDGMDFFNU-ZDUSSCGKSA-N 1 2 332.425 2.467 10 30 EEEELO C=CCC(CC=C)C(=O)N[C@H]1CC[N@@H+](Cc2cnn(C)n2)CC1(C)C ZINC001274436259 1205035775 /nfs/dbraw/zinc/03/57/75/1205035775.db2.gz NQHBOHSMQKMCHX-KRWDZBQOSA-N 1 2 345.491 2.300 10 30 EEEELO C=CCC(CC=C)C(=O)N[C@H]1CC[N@H+](Cc2cnn(C)n2)CC1(C)C ZINC001274436259 1205035778 /nfs/dbraw/zinc/03/57/78/1205035778.db2.gz NQHBOHSMQKMCHX-KRWDZBQOSA-N 1 2 345.491 2.300 10 30 EEEELO C=CCCCC(=O)N1CCC[C@H]1C[N@@H+](C)CC(=O)Nc1cc(C)no1 ZINC001275136423 1205265116 /nfs/dbraw/zinc/26/51/16/1205265116.db2.gz VWKAWHQYXDDJCX-HNNXBMFYSA-N 1 2 348.447 2.201 10 30 EEEELO C=CCCCC(=O)N1CCC[C@H]1C[N@H+](C)CC(=O)Nc1cc(C)no1 ZINC001275136423 1205265118 /nfs/dbraw/zinc/26/51/18/1205265118.db2.gz VWKAWHQYXDDJCX-HNNXBMFYSA-N 1 2 348.447 2.201 10 30 EEEELO C#CC1(O)CC[NH+](Cc2nc(-c3ccc(OCC)cc3)no2)CC1 ZINC000931142145 1206610361 /nfs/dbraw/zinc/61/03/61/1206610361.db2.gz HSYDLXZZCFHRTF-UHFFFAOYSA-N 1 2 327.384 2.095 10 30 EEEELO C#CC1(O)CC[NH+]([C@@H](C)C(=O)Nc2ccccc2OC(F)F)CC1 ZINC000931141985 1206610468 /nfs/dbraw/zinc/61/04/68/1206610468.db2.gz KRHGXVXKUOSKMU-LBPRGKRZSA-N 1 2 338.354 2.075 10 30 EEEELO C=CCn1cc2ccc(NC(=O)N(C)CC[NH+]3CCOCC3)cc2n1 ZINC000933689237 1207817539 /nfs/dbraw/zinc/81/75/39/1207817539.db2.gz UAJPCFYTUNONET-UHFFFAOYSA-N 1 2 343.431 2.018 10 30 EEEELO C#C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1N1CCCC1=O ZINC000934511185 1207976163 /nfs/dbraw/zinc/97/61/63/1207976163.db2.gz QWUWKZVFKXAURY-HNNXBMFYSA-N 1 2 325.412 2.240 10 30 EEEELO C#C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1N1CCCC1=O ZINC000934511185 1207976164 /nfs/dbraw/zinc/97/61/64/1207976164.db2.gz QWUWKZVFKXAURY-HNNXBMFYSA-N 1 2 325.412 2.240 10 30 EEEELO C=CC1(CC(=O)NC[C@H](C)CNC(=O)Cc2c[nH]c[nH+]2)CCCCC1 ZINC001746624888 1256969827 /nfs/dbraw/zinc/96/98/27/1256969827.db2.gz CFGREFUTNCTBQA-OAHLLOKOSA-N 1 2 346.475 2.347 10 30 EEEELO C#CCCCCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2nnc(C)o2)C1 ZINC001491117936 1258713500 /nfs/dbraw/zinc/71/35/00/1258713500.db2.gz VXFJKPVCTOEUHU-INIZCTEOSA-N 1 2 332.448 2.290 10 30 EEEELO C#CCCCCCC(=O)NC[C@@H]1CCC[N@H+](Cc2nnc(C)o2)C1 ZINC001491117936 1258713505 /nfs/dbraw/zinc/71/35/05/1258713505.db2.gz VXFJKPVCTOEUHU-INIZCTEOSA-N 1 2 332.448 2.290 10 30 EEEELO C#CCCCCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cc(C)n(C)n1 ZINC001491209210 1258781284 /nfs/dbraw/zinc/78/12/84/1258781284.db2.gz YQYGXBCIKLKLCC-SFHVURJKSA-N 1 2 330.476 2.393 10 30 EEEELO C#CCCCCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cc(C)n(C)n1 ZINC001491209210 1258781286 /nfs/dbraw/zinc/78/12/86/1258781286.db2.gz YQYGXBCIKLKLCC-SFHVURJKSA-N 1 2 330.476 2.393 10 30 EEEELO C=CCCC(=O)N[C@@H]1C[N@@H+](Cc2nnc(C)[nH]2)C[C@H]1c1ccccc1 ZINC001488885820 1290277669 /nfs/dbraw/zinc/27/76/69/1290277669.db2.gz DXTVDGOFVCPXIJ-DLBZAZTESA-N 1 2 339.443 2.164 10 30 EEEELO C=CCCC(=O)N[C@@H]1C[N@H+](Cc2nnc(C)[nH]2)C[C@H]1c1ccccc1 ZINC001488885820 1290277673 /nfs/dbraw/zinc/27/76/73/1290277673.db2.gz DXTVDGOFVCPXIJ-DLBZAZTESA-N 1 2 339.443 2.164 10 30 EEEELO CC#CC[NH2+]Cc1nc2c(s1)CCN(C(=O)CC(C)(F)F)C2 ZINC001489336887 1290519972 /nfs/dbraw/zinc/51/99/72/1290519972.db2.gz FEYJLJMYILTIID-UHFFFAOYSA-N 1 2 327.400 2.186 10 30 EEEELO C#CCCCC(=O)N[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2)C1 ZINC001490435057 1291348857 /nfs/dbraw/zinc/34/88/57/1291348857.db2.gz OTZLBBZOUAEQHF-QGZVFWFLSA-N 1 2 327.428 2.009 10 30 EEEELO C#CCCCC(=O)N[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2)C1 ZINC001490435057 1291348868 /nfs/dbraw/zinc/34/88/68/1291348868.db2.gz OTZLBBZOUAEQHF-QGZVFWFLSA-N 1 2 327.428 2.009 10 30 EEEELO C=C[C@@](C)(CC)C(=O)NCC[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001490456129 1291393076 /nfs/dbraw/zinc/39/30/76/1291393076.db2.gz MNEWYOKPVHJINP-MDZRGWNJSA-N 1 2 346.475 2.086 10 30 EEEELO C=C[C@](C)(CCOC)C(=O)N[C@@H]1CC[N@H+](Cc2cccnc2OC)C1 ZINC001490553665 1291451217 /nfs/dbraw/zinc/45/12/17/1291451217.db2.gz XYBBHWVUDTUBHD-VQIMIIECSA-N 1 2 347.459 2.010 10 30 EEEELO C=C[C@](C)(CCOC)C(=O)N[C@@H]1CC[N@@H+](Cc2cccnc2OC)C1 ZINC001490553665 1291451222 /nfs/dbraw/zinc/45/12/22/1291451222.db2.gz XYBBHWVUDTUBHD-VQIMIIECSA-N 1 2 347.459 2.010 10 30 EEEELO C=C[C@@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CCc1[nH]cc[nH+]1 ZINC001490684219 1291565076 /nfs/dbraw/zinc/56/50/76/1291565076.db2.gz OLNMOKCTKCBWJU-FZKCQIBNSA-N 1 2 344.459 2.193 10 30 EEEELO C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001490763162 1291694328 /nfs/dbraw/zinc/69/43/28/1291694328.db2.gz FUDATAXIZIFOMH-CLWVCHIJSA-N 1 2 342.443 2.044 10 30 EEEELO COCC[NH+]1CCN(C(=O)C2(c3ccc(C#N)cc3)CCCC2)CC1 ZINC000859354408 1294407220 /nfs/dbraw/zinc/40/72/20/1294407220.db2.gz WITJPNDRLIKSLX-UHFFFAOYSA-N 1 2 341.455 2.161 10 30 EEEELO N#CCc1cccc2c1CC[N@@H+](CN1CCC3(CCOCC3)C1=O)C2 ZINC000863336183 1296230438 /nfs/dbraw/zinc/23/04/38/1296230438.db2.gz OUCXAKKNANFSFG-UHFFFAOYSA-N 1 2 339.439 2.097 10 30 EEEELO N#CCc1cccc2c1CC[N@H+](CN1CCC3(CCOCC3)C1=O)C2 ZINC000863336183 1296230445 /nfs/dbraw/zinc/23/04/45/1296230445.db2.gz OUCXAKKNANFSFG-UHFFFAOYSA-N 1 2 339.439 2.097 10 30 EEEELO C=CCCC(=O)NC[C@@H]1CC[N@H+]1[C@H](C)C(=O)N(C)Cc1ccccc1 ZINC001276799790 1297865598 /nfs/dbraw/zinc/86/55/98/1297865598.db2.gz FLSOQHSNVRBBHN-AEFFLSMTSA-N 1 2 343.471 2.190 10 30 EEEELO C=CCCC(=O)NC[C@@H]1CC[N@@H+]1[C@H](C)C(=O)N(C)Cc1ccccc1 ZINC001276799790 1297865608 /nfs/dbraw/zinc/86/56/08/1297865608.db2.gz FLSOQHSNVRBBHN-AEFFLSMTSA-N 1 2 343.471 2.190 10 30 EEEELO C=CCCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2[C@@H]1CCN(C2CCC2)C1=O ZINC001277425793 1302969420 /nfs/dbraw/zinc/96/94/20/1302969420.db2.gz NWONOBFOBYUOFY-FGTMMUONSA-N 1 2 345.487 2.171 10 30 EEEELO C=CCCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2[C@@H]1CCN(C2CCC2)C1=O ZINC001277425793 1302969430 /nfs/dbraw/zinc/96/94/30/1302969430.db2.gz NWONOBFOBYUOFY-FGTMMUONSA-N 1 2 345.487 2.171 10 30 EEEELO C=CCOCC[NH+]1CC(N(C)C(=O)c2ccc(C(C)(C)C)cn2)C1 ZINC001277597447 1303968725 /nfs/dbraw/zinc/96/87/25/1303968725.db2.gz FEGAWTBLRBVCKM-UHFFFAOYSA-N 1 2 331.460 2.338 10 30 EEEELO C#Cc1ccc(C(=O)N(C)C[C@@H](C)[NH2+][C@@H](C)c2nnc(CC)o2)cc1 ZINC001277901693 1305040801 /nfs/dbraw/zinc/04/08/01/1305040801.db2.gz ZSXPUXFKOOSYQW-KGLIPLIRSA-N 1 2 340.427 2.425 10 30 EEEELO C#CCC1(C(=O)N(C)C[C@@H](C)[NH2+]Cc2nc(C)no2)CCCCC1 ZINC001278025586 1305722932 /nfs/dbraw/zinc/72/29/32/1305722932.db2.gz OKDDOSTWAJHPJA-CQSZACIVSA-N 1 2 332.448 2.288 10 30 EEEELO C=CCOCCCC(=O)NC1(C)CC[NH+]([C@H](C)c2nnc(C)[nH]2)CC1 ZINC001278039556 1305767082 /nfs/dbraw/zinc/76/70/82/1305767082.db2.gz VBYRHRXLHGARDA-CQSZACIVSA-N 1 2 349.479 2.128 10 30 EEEELO C#CCN(C(=O)C[C@@H](C)CC)C1CC[NH+](Cc2cn(CC)nn2)CC1 ZINC001278145039 1306088914 /nfs/dbraw/zinc/08/89/14/1306088914.db2.gz WIOSKKJPEBTFGN-INIZCTEOSA-N 1 2 345.491 2.160 10 30 EEEELO Cc1ccn(C[N@@H+]2CCC[C@H]2COc2cccnc2C)c(=O)c1C#N ZINC000841689044 1315597740 /nfs/dbraw/zinc/59/77/40/1315597740.db2.gz BHZKWVUWHJDKGK-INIZCTEOSA-N 1 2 338.411 2.233 10 30 EEEELO Cc1ccn(C[N@H+]2CCC[C@H]2COc2cccnc2C)c(=O)c1C#N ZINC000841689044 1315597745 /nfs/dbraw/zinc/59/77/45/1315597745.db2.gz BHZKWVUWHJDKGK-INIZCTEOSA-N 1 2 338.411 2.233 10 30 EEEELO C=CCC1(C(=O)N(C)C[C@H](O)C[N@H+](C)Cc2nccs2)CCC1 ZINC001278873591 1318473953 /nfs/dbraw/zinc/47/39/53/1318473953.db2.gz KZUQYRLXTLJSAM-CQSZACIVSA-N 1 2 337.489 2.141 10 30 EEEELO C=CCC1(C(=O)N(C)C[C@H](O)C[N@@H+](C)Cc2nccs2)CCC1 ZINC001278873591 1318473968 /nfs/dbraw/zinc/47/39/68/1318473968.db2.gz KZUQYRLXTLJSAM-CQSZACIVSA-N 1 2 337.489 2.141 10 30 EEEELO C=CCCC(=O)NC1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001293768765 1328806393 /nfs/dbraw/zinc/80/63/93/1328806393.db2.gz VYVGLGLDHIOQCF-UHFFFAOYSA-N 1 2 340.427 2.330 10 30 EEEELO CCc1nnc([C@H](C)[NH+]2CCC([C@@H](C)NC(=O)C#CC(C)C)CC2)[nH]1 ZINC001279079082 1319192855 /nfs/dbraw/zinc/19/28/55/1319192855.db2.gz DYBJSUXOUCDYGP-CABCVRRESA-N 1 2 345.491 2.304 10 30 EEEELO C#Cc1ccc(C(=O)N2CC3(C2)CC[N@@H+](Cc2nccc(C)n2)C3)cc1 ZINC001258461855 1319264379 /nfs/dbraw/zinc/26/43/79/1319264379.db2.gz GEFXNXUHZMQZJF-UHFFFAOYSA-N 1 2 346.434 2.114 10 30 EEEELO C#Cc1ccc(C(=O)N2CC3(C2)CC[N@H+](Cc2nccc(C)n2)C3)cc1 ZINC001258461855 1319264388 /nfs/dbraw/zinc/26/43/88/1319264388.db2.gz GEFXNXUHZMQZJF-UHFFFAOYSA-N 1 2 346.434 2.114 10 30 EEEELO C=C(C)CCC(=O)NCCCN(C)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001294118916 1328894795 /nfs/dbraw/zinc/89/47/95/1328894795.db2.gz RKKZKLABYUGKHF-UHFFFAOYSA-N 1 2 334.464 2.248 10 30 EEEELO CCCCCCN(CC[NH+]1CCOCC1)c1cc(C#N)nc(C)n1 ZINC001162669990 1320925406 /nfs/dbraw/zinc/92/54/06/1320925406.db2.gz SAHXCEGJJJTZMN-UHFFFAOYSA-N 1 2 331.464 2.376 10 30 EEEELO C=CCNC(=O)C[NH+]1CC([C@H](C)NC(=O)c2ccc(C(C)C)cc2)C1 ZINC001276453271 1322110210 /nfs/dbraw/zinc/11/02/10/1322110210.db2.gz KAUZBIWZBXMXCL-HNNXBMFYSA-N 1 2 343.471 2.162 10 30 EEEELO C=CCn1c(N(CC)C2CC(C)(C)C2)nnc1[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC001262987709 1322416353 /nfs/dbraw/zinc/41/63/53/1322416353.db2.gz DYCQNEBIKPIAOF-HNAYVOBHSA-N 1 2 347.507 2.391 10 30 EEEELO C=CCn1c(N(CC)C2CC(C)(C)C2)nnc1[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC001262987709 1322416357 /nfs/dbraw/zinc/41/63/57/1322416357.db2.gz DYCQNEBIKPIAOF-HNAYVOBHSA-N 1 2 347.507 2.391 10 30 EEEELO C=CCn1c(N2CCCCCCC2)nnc1[C@]1(C)C[C@H](O)C[N@H+]1C ZINC001262988181 1322416522 /nfs/dbraw/zinc/41/65/22/1322416522.db2.gz MVNRPJCUSPOJQE-YJBOKZPZSA-N 1 2 333.480 2.146 10 30 EEEELO C=CCn1c(N2CCCCCCC2)nnc1[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC001262988181 1322416525 /nfs/dbraw/zinc/41/65/25/1322416525.db2.gz MVNRPJCUSPOJQE-YJBOKZPZSA-N 1 2 333.480 2.146 10 30 EEEELO C=C[C@@](C)(CC)C(=O)N(C)C[C@@H]1CC[N@@H+]1CC(=O)N1CCCCC1 ZINC001263809784 1322521273 /nfs/dbraw/zinc/52/12/73/1322521273.db2.gz PARNDSYEGVIIIC-LPHOPBHVSA-N 1 2 335.492 2.134 10 30 EEEELO C=C[C@@](C)(CC)C(=O)N(C)C[C@@H]1CC[N@H+]1CC(=O)N1CCCCC1 ZINC001263809784 1322521274 /nfs/dbraw/zinc/52/12/74/1322521274.db2.gz PARNDSYEGVIIIC-LPHOPBHVSA-N 1 2 335.492 2.134 10 30 EEEELO Cc1ncoc1C[N@H+]1CC[C@@H]1CN(C)C(=O)CC#Cc1ccccc1 ZINC001263821029 1322526951 /nfs/dbraw/zinc/52/69/51/1322526951.db2.gz LDLJEFJPFURJNX-GOSISDBHSA-N 1 2 337.423 2.458 10 30 EEEELO Cc1ncoc1C[N@@H+]1CC[C@@H]1CN(C)C(=O)CC#Cc1ccccc1 ZINC001263821029 1322526954 /nfs/dbraw/zinc/52/69/54/1322526954.db2.gz LDLJEFJPFURJNX-GOSISDBHSA-N 1 2 337.423 2.458 10 30 EEEELO CCc1nc(C[NH2+]CC[C@@H]2[C@H](C)CCCN2C(=O)C#CC(C)C)no1 ZINC001263952833 1322565730 /nfs/dbraw/zinc/56/57/30/1322565730.db2.gz MDMANCZFUQIDBZ-HZPDHXFCSA-N 1 2 346.475 2.398 10 30 EEEELO C=CCOCC(=O)N[C@H]1CC[N@H+](Cc2cc(-c3ccco3)on2)[C@@H]1C ZINC001264134787 1322638642 /nfs/dbraw/zinc/63/86/42/1322638642.db2.gz ZKGNVNMHUKKGHH-HIFRSBDPSA-N 1 2 345.399 2.216 10 30 EEEELO C=CCOCC(=O)N[C@H]1CC[N@@H+](Cc2cc(-c3ccco3)on2)[C@@H]1C ZINC001264134787 1322638644 /nfs/dbraw/zinc/63/86/44/1322638644.db2.gz ZKGNVNMHUKKGHH-HIFRSBDPSA-N 1 2 345.399 2.216 10 30 EEEELO C#CCCCCCC(=O)N[C@H]1CC[N@H+](Cc2cc(C)n(C)n2)[C@@H]1C ZINC001264156286 1322643438 /nfs/dbraw/zinc/64/34/38/1322643438.db2.gz RIUXSXMBUZETFZ-AEFFLSMTSA-N 1 2 330.476 2.391 10 30 EEEELO C#CCCCCCC(=O)N[C@H]1CC[N@@H+](Cc2cc(C)n(C)n2)[C@@H]1C ZINC001264156286 1322643443 /nfs/dbraw/zinc/64/34/43/1322643443.db2.gz RIUXSXMBUZETFZ-AEFFLSMTSA-N 1 2 330.476 2.391 10 30 EEEELO CC#CCN1CC[NH+](CCNC(=O)C[C@@H](C)c2cccc(F)c2)CC1 ZINC001265264011 1323018659 /nfs/dbraw/zinc/01/86/59/1323018659.db2.gz DTMYZJOINOQCST-QGZVFWFLSA-N 1 2 345.462 2.076 10 30 EEEELO CCOc1cccc(C[N@@H+]2CC[C@@H](NC(=O)C#CC(C)(C)C)C2)n1 ZINC001265283592 1323034704 /nfs/dbraw/zinc/03/47/04/1323034704.db2.gz GOZIKDGXPOPCCB-MRXNPFEDSA-N 1 2 329.444 2.220 10 30 EEEELO CCOc1cccc(C[N@H+]2CC[C@@H](NC(=O)C#CC(C)(C)C)C2)n1 ZINC001265283592 1323034709 /nfs/dbraw/zinc/03/47/09/1323034709.db2.gz GOZIKDGXPOPCCB-MRXNPFEDSA-N 1 2 329.444 2.220 10 30 EEEELO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](CC(=O)N[C@@H](C)CCC(C)C)C2)C1 ZINC001265303360 1323052522 /nfs/dbraw/zinc/05/25/22/1323052522.db2.gz GTXGWKDLMXACHM-IRXDYDNUSA-N 1 2 349.519 2.474 10 30 EEEELO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](CC(=O)N[C@@H](C)CCC(C)C)C2)C1 ZINC001265303360 1323052526 /nfs/dbraw/zinc/05/25/26/1323052526.db2.gz GTXGWKDLMXACHM-IRXDYDNUSA-N 1 2 349.519 2.474 10 30 EEEELO COCC#CC[N@@H+]1CC[C@H](NC(=O)c2ccc(C(C)(C)C)s2)C1 ZINC001265316963 1323065164 /nfs/dbraw/zinc/06/51/64/1323065164.db2.gz HDIBSRPBKZWYDS-AWEZNQCLSA-N 1 2 334.485 2.500 10 30 EEEELO COCC#CC[N@H+]1CC[C@H](NC(=O)c2ccc(C(C)(C)C)s2)C1 ZINC001265316963 1323065172 /nfs/dbraw/zinc/06/51/72/1323065172.db2.gz HDIBSRPBKZWYDS-AWEZNQCLSA-N 1 2 334.485 2.500 10 30 EEEELO C#CCCCCC(=O)NC[C@@H]1CCC[N@H+](Cc2nc(C3CC3)no2)C1 ZINC001265580277 1323235350 /nfs/dbraw/zinc/23/53/50/1323235350.db2.gz UJKMVUYXKUTGIB-HNNXBMFYSA-N 1 2 344.459 2.469 10 30 EEEELO C#CCCCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2nc(C3CC3)no2)C1 ZINC001265580277 1323235355 /nfs/dbraw/zinc/23/53/55/1323235355.db2.gz UJKMVUYXKUTGIB-HNNXBMFYSA-N 1 2 344.459 2.469 10 30 EEEELO C=C(Br)C[N@@H+](C)CCCNC(=O)[C@@H]1CCC[C@H]1OC ZINC001265877548 1323448693 /nfs/dbraw/zinc/44/86/93/1323448693.db2.gz JNXRCJWYURGTLE-CHWSQXEVSA-N 1 2 333.270 2.148 10 30 EEEELO C=C(Br)C[N@H+](C)CCCNC(=O)[C@@H]1CCC[C@H]1OC ZINC001265877548 1323448698 /nfs/dbraw/zinc/44/86/98/1323448698.db2.gz JNXRCJWYURGTLE-CHWSQXEVSA-N 1 2 333.270 2.148 10 30 EEEELO CCc1nnc([C@H](C)[N@H+](C)[C@H]2CCCN(C(=O)C#CC(C)C)C2)o1 ZINC001266099734 1323662796 /nfs/dbraw/zinc/66/27/96/1323662796.db2.gz LSZIRXQDGKKNOS-GJZGRUSLSA-N 1 2 332.448 2.275 10 30 EEEELO CCc1nnc([C@H](C)[N@@H+](C)[C@H]2CCCN(C(=O)C#CC(C)C)C2)o1 ZINC001266099734 1323662804 /nfs/dbraw/zinc/66/28/04/1323662804.db2.gz LSZIRXQDGKKNOS-GJZGRUSLSA-N 1 2 332.448 2.275 10 30 EEEELO C=C(C)C(C)(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2c(C)nnn2CC)C1 ZINC001266233188 1323814080 /nfs/dbraw/zinc/81/40/80/1323814080.db2.gz FUGOVSMXEBYMST-OAHLLOKOSA-N 1 2 333.480 2.289 10 30 EEEELO C=C(C)C(C)(C)C(=O)N[C@@H]1CCC[N@H+](Cc2c(C)nnn2CC)C1 ZINC001266233188 1323814086 /nfs/dbraw/zinc/81/40/86/1323814086.db2.gz FUGOVSMXEBYMST-OAHLLOKOSA-N 1 2 333.480 2.289 10 30 EEEELO C#CCCCCC(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2Cc1nnc(CC)o1 ZINC001279555743 1323935945 /nfs/dbraw/zinc/93/59/45/1323935945.db2.gz OLLSCILPWZWSIM-HOTGVXAUSA-N 1 2 344.459 2.391 10 30 EEEELO C#CCCCCC(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2Cc1nnc(CC)o1 ZINC001279555743 1323935949 /nfs/dbraw/zinc/93/59/49/1323935949.db2.gz OLLSCILPWZWSIM-HOTGVXAUSA-N 1 2 344.459 2.391 10 30 EEEELO C=C(C)CCC(=O)N1CC([C@@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001280638690 1324364824 /nfs/dbraw/zinc/36/48/24/1324364824.db2.gz OIVJEBQINLIBRO-CYBMUJFWSA-N 1 2 340.427 2.496 10 30 EEEELO C=CCCCC(=O)N1CC[C@H]([NH+]2CCN(Cc3cnoc3C)CC2)C1 ZINC001280690921 1324413661 /nfs/dbraw/zinc/41/36/61/1324413661.db2.gz HBZCTQQXZHZDQR-SFHVURJKSA-N 1 2 346.475 2.058 10 30 EEEELO C#CCCCCC(=O)N[C@@H]1CCC[N@@H+](Cc2nc(CC)no2)CC1 ZINC001280727814 1324446920 /nfs/dbraw/zinc/44/69/20/1324446920.db2.gz MOWFXOOUDCVWBV-OAHLLOKOSA-N 1 2 332.448 2.296 10 30 EEEELO C#CCCCCC(=O)N[C@@H]1CCC[N@H+](Cc2nc(CC)no2)CC1 ZINC001280727814 1324446926 /nfs/dbraw/zinc/44/69/26/1324446926.db2.gz MOWFXOOUDCVWBV-OAHLLOKOSA-N 1 2 332.448 2.296 10 30 EEEELO C=CC(C)(C)CC(=O)N1CCC(N(C)C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001280889995 1324611731 /nfs/dbraw/zinc/61/17/31/1324611731.db2.gz PHIIKGLIXRXUSV-UHFFFAOYSA-N 1 2 332.448 2.004 10 30 EEEELO C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(Cl)nc2)CC1(C)C ZINC001276578465 1324619632 /nfs/dbraw/zinc/61/96/32/1324619632.db2.gz HKYNNWDBQCJPSW-DZGCQCFKSA-N 1 2 349.862 2.100 10 30 EEEELO C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(Cl)nc2)CC1(C)C 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C=CCCCN(C)C(=O)NC[C@@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC000173425751 464259162 /nfs/dbraw/zinc/25/91/62/464259162.db2.gz DVKMQBMRUPKTGX-AWEZNQCLSA-N 1 2 332.452 2.095 10 30 EEEELO CCN(CCC#N)C(=O)CN1CCC[C@H]1c1[nH+]c2c(n1C)CCCC2 ZINC000275567003 464779170 /nfs/dbraw/zinc/77/91/70/464779170.db2.gz FDRVODTXJKWODV-KRWDZBQOSA-N 1 2 343.475 2.198 10 30 EEEELO CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@H]1c1nc2c(n1C)CCCC2 ZINC000275567003 464779174 /nfs/dbraw/zinc/77/91/74/464779174.db2.gz FDRVODTXJKWODV-KRWDZBQOSA-N 1 2 343.475 2.198 10 30 EEEELO CCN(CCC#N)C(=O)C[N@H+]1CCC[C@H]1c1nc2c(n1C)CCCC2 ZINC000275567003 464779179 /nfs/dbraw/zinc/77/91/79/464779179.db2.gz FDRVODTXJKWODV-KRWDZBQOSA-N 1 2 343.475 2.198 10 30 EEEELO C[N@H+](CCn1cc(Br)cn1)Cc1nc(C#N)cs1 ZINC000356337794 465320515 /nfs/dbraw/zinc/32/05/15/465320515.db2.gz MGZKVFHSSZFVTI-UHFFFAOYSA-N 1 2 326.223 2.106 10 30 EEEELO C[N@@H+](CCn1cc(Br)cn1)Cc1nc(C#N)cs1 ZINC000356337794 465320521 /nfs/dbraw/zinc/32/05/21/465320521.db2.gz 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ZINC000593528073 469017600 /nfs/dbraw/zinc/01/76/00/469017600.db2.gz YVPHFCQKTDIMLJ-UHFFFAOYSA-N 1 2 348.453 2.093 10 30 EEEELO Cn1cc(C[N@@H+]2CCc3nccnc3C2)c(-c2ccc(C#N)cc2)n1 ZINC000595863696 469051916 /nfs/dbraw/zinc/05/19/16/469051916.db2.gz OPHAIBXOYHJRLF-UHFFFAOYSA-N 1 2 330.395 2.307 10 30 EEEELO Cn1cc(C[N@H+]2CCc3nccnc3C2)c(-c2ccc(C#N)cc2)n1 ZINC000595863696 469051923 /nfs/dbraw/zinc/05/19/23/469051923.db2.gz OPHAIBXOYHJRLF-UHFFFAOYSA-N 1 2 330.395 2.307 10 30 EEEELO CCC(F)(F)CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000599171496 469149338 /nfs/dbraw/zinc/14/93/38/469149338.db2.gz ITNFYSDSCDAPMD-UHFFFAOYSA-N 1 2 336.386 2.431 10 30 EEEELO CC(C)(NC(=O)NCC[N@@H+]1CCOC(C)(C)C1)c1cccc(C#N)c1 ZINC000596232392 469215376 /nfs/dbraw/zinc/21/53/76/469215376.db2.gz CRAWPGFOWMUXPH-UHFFFAOYSA-N 1 2 344.459 2.203 10 30 EEEELO CC(C)(NC(=O)NCC[N@H+]1CCOC(C)(C)C1)c1cccc(C#N)c1 ZINC000596232392 469215378 /nfs/dbraw/zinc/21/53/78/469215378.db2.gz CRAWPGFOWMUXPH-UHFFFAOYSA-N 1 2 344.459 2.203 10 30 EEEELO N#Cc1ccccc1NC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000602181870 469229864 /nfs/dbraw/zinc/22/98/64/469229864.db2.gz FSOXYFUBCGNRAQ-HZPDHXFCSA-N 1 2 335.411 2.488 10 30 EEEELO N#Cc1ccccc1NC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000602181870 469229869 /nfs/dbraw/zinc/22/98/69/469229869.db2.gz FSOXYFUBCGNRAQ-HZPDHXFCSA-N 1 2 335.411 2.488 10 30 EEEELO CC1(C)C[NH+](CC(=O)N[C@H](C#N)c2ccc(Br)cc2)C1 ZINC000565178576 469268216 /nfs/dbraw/zinc/26/82/16/469268216.db2.gz QWAQRAJIVREMGJ-CYBMUJFWSA-N 1 2 336.233 2.472 10 30 EEEELO COC(=O)c1cnoc1C[NH2+]C1(c2ccc(C#N)cc2)CCOCC1 ZINC000599631725 469316353 /nfs/dbraw/zinc/31/63/53/469316353.db2.gz XZTUSDKPQYMQOB-UHFFFAOYSA-N 1 2 341.367 2.128 10 30 EEEELO C[C@H](c1cccc(NC(=O)N2CC(CC#N)C2)c1)[NH+]1CCOCC1 ZINC000596727098 469344850 /nfs/dbraw/zinc/34/48/50/469344850.db2.gz NOWLERMJZDFPMP-CQSZACIVSA-N 1 2 328.416 2.457 10 30 EEEELO N#CC1(CC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CCOCC1 ZINC000596774480 469355735 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CC#CC[NH2+]Cc1cn(Cc2nc(-c3ccsc3)oc2C)nn1 ZINC000641026492 471167879 /nfs/dbraw/zinc/16/78/79/471167879.db2.gz VSWBRYMGPSHVKV-UHFFFAOYSA-N 1 2 327.413 2.464 10 30 EEEELO C=CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCc1[nH+]ccn1CC(C)C ZINC000669092517 471376633 /nfs/dbraw/zinc/37/66/33/471376633.db2.gz SITFYRJXZXYPOR-HZPDHXFCSA-N 1 2 346.475 2.406 10 30 EEEELO C=C(C)CCNC(=O)NC[C@@H]1CN(C)CC[N@@H+]1Cc1ccccc1 ZINC000661264584 471692513 /nfs/dbraw/zinc/69/25/13/471692513.db2.gz UOJUAVWCIGWTOH-GOSISDBHSA-N 1 2 330.476 2.068 10 30 EEEELO C=C(C)CCNC(=O)NC[C@@H]1CN(C)CC[N@H+]1Cc1ccccc1 ZINC000661264584 471692518 /nfs/dbraw/zinc/69/25/18/471692518.db2.gz UOJUAVWCIGWTOH-GOSISDBHSA-N 1 2 330.476 2.068 10 30 EEEELO C=CCOCCNC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000679503257 485716559 /nfs/dbraw/zinc/71/65/59/485716559.db2.gz JLOHDODQNURKMJ-HNNXBMFYSA-N 1 2 332.379 2.150 10 30 EEEELO N#CCOc1ccc(CC(=O)NCc2ccnc(-n3cc[nH+]c3)c2)cc1 ZINC000110668730 534691591 /nfs/dbraw/zinc/69/15/91/534691591.db2.gz 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EEEELO C=CCC(C)(C)C(=O)N(C)C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001287370292 1327486728 /nfs/dbraw/zinc/48/67/28/1327486728.db2.gz QHHSJZYVEVQUOO-UHFFFAOYSA-N 1 2 332.448 2.004 10 30 EEEELO C#CC[C@H](COC)NC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000859033410 1294298732 /nfs/dbraw/zinc/29/87/32/1294298732.db2.gz FNFXDBGQDOZEKJ-GDBMZVCRSA-N 1 2 335.473 2.175 10 30 EEEELO CCCN(CC(F)(F)F)C(=O)CO[NH+]=C(N)c1ccc(F)cc1 ZINC000863454928 1296292788 /nfs/dbraw/zinc/29/27/88/1296292788.db2.gz PMSOPENRJGRHPY-UHFFFAOYSA-N 1 2 335.301 2.264 10 30 EEEELO C#CCC[NH+]1CCN(C(=O)c2cc(C)c(Br)o2)CC1 ZINC000931344767 1297149311 /nfs/dbraw/zinc/14/93/11/1297149311.db2.gz BMUIJIISOCIEMA-UHFFFAOYSA-N 1 2 325.206 2.132 10 30 EEEELO C#CCN(C(=O)[C@@H]1CC1(C)C)C1CC[NH+](Cc2coc(C)n2)CC1 ZINC001278144914 1306090242 /nfs/dbraw/zinc/09/02/42/1306090242.db2.gz UGGCYXHCARNVRK-KRWDZBQOSA-N 1 2 329.444 2.455 10 30 EEEELO C=CCC(CC=C)C(=O)N[C@@]1(C)CC[N@@H+](Cc2cnnn2CC)C1 ZINC001278396338 1310020550 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BGLJVMJXTOOINR-CGTJXYLNSA-N 1 2 345.491 2.369 10 30 EEEELO C=CCCC(=O)N[C@@H]1[C@@H]2CCC[N@H+](Cc3cnn(CC)n3)[C@H]2C1(C)C ZINC001264029278 1322588696 /nfs/dbraw/zinc/58/86/96/1322588696.db2.gz BGLJVMJXTOOINR-CGTJXYLNSA-N 1 2 345.491 2.369 10 30 EEEELO C=C[C@@H](CC)CC(=O)N1CCC[C@H]([N@H+](CCO)Cc2cc(C)on2)C1 ZINC001264078342 1322610190 /nfs/dbraw/zinc/61/01/90/1322610190.db2.gz IDABZCVJFQSBMX-WMZOPIPTSA-N 1 2 349.475 2.371 10 30 EEEELO C=C[C@@H](CC)CC(=O)N1CCC[C@H]([N@@H+](CCO)Cc2cc(C)on2)C1 ZINC001264078342 1322610196 /nfs/dbraw/zinc/61/01/96/1322610196.db2.gz IDABZCVJFQSBMX-WMZOPIPTSA-N 1 2 349.475 2.371 10 30 EEEELO CC#CC[NH2+]Cc1nc2c(s1)CCN(C(=O)[C@H]1CCC1(F)F)C2 ZINC001264189942 1322656410 /nfs/dbraw/zinc/65/64/10/1322656410.db2.gz PTVNFBKOUFPAFT-LLVKDONJSA-N 1 2 339.411 2.186 10 30 EEEELO C[N@H+](CCCNC(=O)c1cc(C#N)c[nH]1)Cc1coc(C2CC2)n1 ZINC001264974010 1322824191 /nfs/dbraw/zinc/82/41/91/1322824191.db2.gz NEQZIUAARQGCMH-UHFFFAOYSA-N 1 2 327.388 2.004 10 30 EEEELO 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EEEELO Cc1[nH+]c2cc(NC(=O)Cc3ccc(C#N)nc3)ccc2n1[C@H](C)CO ZINC000529465962 268079345 /nfs/dbraw/zinc/07/93/45/268079345.db2.gz CFTLNNJIAWQZJW-GFCCVEGCSA-N 1 2 349.394 2.346 10 30 EEEELO CN(C(=O)N[C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1)[C@H]1CCNC1=O ZINC000328804863 465134710 /nfs/dbraw/zinc/13/47/10/465134710.db2.gz BTXXTTIVHXNXJX-NEPJUHHUSA-N 1 2 333.436 2.070 10 30 EEEELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)NCCc3cc4ccccc4[nH]3)C[C@@H]21 ZINC000328868710 465152115 /nfs/dbraw/zinc/15/21/15/465152115.db2.gz HIGDIKZYYFWSAQ-ZWKOTPCHSA-N 1 2 342.443 2.029 10 30 EEEELO C[N@H+]1CCO[C@@H]2CCN(C(=O)NCCc3cc4ccccc4[nH]3)C[C@@H]21 ZINC000328868710 465152120 /nfs/dbraw/zinc/15/21/20/465152120.db2.gz HIGDIKZYYFWSAQ-ZWKOTPCHSA-N 1 2 342.443 2.029 10 30 EEEELO C[C@H](Oc1ccccc1C#N)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000075713296 462752101 /nfs/dbraw/zinc/75/21/01/462752101.db2.gz OCVCWBIRPKBMPA-AWEZNQCLSA-N 1 2 338.411 2.217 10 30 EEEELO C[C@H](c1nnnn1C1CC1)[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000276722088 463731574 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CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1C[C@@H](c2ccccc2)OC[C@H]1C ZINC000245400388 464474736 /nfs/dbraw/zinc/47/47/36/464474736.db2.gz BYDPAJSQPGZZIM-NUJGCVRESA-N 1 2 329.444 2.457 10 30 EEEELO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1C[C@@H](c2ccccc2)OC[C@H]1C ZINC000245400388 464474743 /nfs/dbraw/zinc/47/47/43/464474743.db2.gz BYDPAJSQPGZZIM-NUJGCVRESA-N 1 2 329.444 2.457 10 30 EEEELO CN(C)S(=O)(=O)[C@@H]1CCC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000285644101 464641466 /nfs/dbraw/zinc/64/14/66/464641466.db2.gz ONZPZPZPVHBPSF-MRXNPFEDSA-N 1 2 340.876 2.047 10 30 EEEELO CN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000285644101 464641469 /nfs/dbraw/zinc/64/14/69/464641469.db2.gz ONZPZPZPVHBPSF-MRXNPFEDSA-N 1 2 340.876 2.047 10 30 EEEELO C[C@@H]1CN(C(=O)c2cccc(SCC#N)c2)C[C@H]1[NH+]1CCOCC1 ZINC000176072076 464693103 /nfs/dbraw/zinc/69/31/03/464693103.db2.gz OQNXXCLRFVFIFV-RHSMWYFYSA-N 1 2 345.468 2.095 10 30 EEEELO C=C(C)CS(=O)(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000248972181 464824832 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EEEELO C=CCN1CC[C@@H]([N@H+]2CCC[C@H]2c2nnc(-c3ccccc3)[nH]2)C1=O ZINC000374170929 467021719 /nfs/dbraw/zinc/02/17/19/467021719.db2.gz BILZKEAVIOHGLH-JKSUJKDBSA-N 1 2 337.427 2.396 10 30 EEEELO Cc1nn(C)c(C)c1[C@H]1COCC[N@@H+]1CCOc1cccc(C#N)c1 ZINC000374470072 467054953 /nfs/dbraw/zinc/05/49/53/467054953.db2.gz IJIMMMWTWNJDEV-GOSISDBHSA-N 1 2 340.427 2.361 10 30 EEEELO Cc1nn(C)c(C)c1[C@H]1COCC[N@H+]1CCOc1cccc(C#N)c1 ZINC000374470072 467054957 /nfs/dbraw/zinc/05/49/57/467054957.db2.gz IJIMMMWTWNJDEV-GOSISDBHSA-N 1 2 340.427 2.361 10 30 EEEELO CN([C@@H](c1[nH]cc[nH+]1)c1ccccc1)S(=O)(=O)CC1(C#N)CCC1 ZINC000432260764 467226587 /nfs/dbraw/zinc/22/65/87/467226587.db2.gz WETDQPAUEQKKHO-OAHLLOKOSA-N 1 2 344.440 2.455 10 30 EEEELO N#Cc1ccc2[nH+]cc(CNc3cccc(N4CCNC4=O)c3)n2c1 ZINC000432422875 467239451 /nfs/dbraw/zinc/23/94/51/467239451.db2.gz VUGPOPZIOHEVAD-UHFFFAOYSA-N 1 2 332.367 2.348 10 30 EEEELO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3nc(-c4ccoc4)no3)C2)nc1 ZINC000428818408 467272608 /nfs/dbraw/zinc/27/26/08/467272608.db2.gz NABSWKYZTMFAFH-AWEZNQCLSA-N 1 2 337.339 2.250 10 30 EEEELO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3nc(-c4ccoc4)no3)C2)nc1 ZINC000428818408 467272612 /nfs/dbraw/zinc/27/26/12/467272612.db2.gz NABSWKYZTMFAFH-AWEZNQCLSA-N 1 2 337.339 2.250 10 30 EEEELO Cc1n[nH]c(C)c1[C@@H]1COCCN1Cc1c[nH+]c2ccc(C#N)cn12 ZINC000378367213 467280168 /nfs/dbraw/zinc/28/01/68/467280168.db2.gz CKJXREVOPIMSIP-INIZCTEOSA-N 1 2 336.399 2.119 10 30 EEEELO Cn1c(C#N)ccc1C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000448565219 467593696 /nfs/dbraw/zinc/59/36/96/467593696.db2.gz MKELAOJJLOCUIU-VMPITWQZSA-N 1 2 334.423 2.368 10 30 EEEELO C=C[C@@H]1OCC[C@H]1NC(=O)N1CC[NH+](Cc2ccc(CC)s2)CC1 ZINC000455409956 467676547 /nfs/dbraw/zinc/67/65/47/467676547.db2.gz LPMBZTTZYIPPTD-SJORKVTESA-N 1 2 349.500 2.481 10 30 EEEELO Cn1c(C#N)ccc1C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000450540404 467866810 /nfs/dbraw/zinc/86/68/10/467866810.db2.gz NZUHFCORUIQWKU-UHFFFAOYSA-N 1 2 325.416 2.426 10 30 EEEELO C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000566145725 468145584 /nfs/dbraw/zinc/14/55/84/468145584.db2.gz MBCVNDPUKSATBA-HOCLYGCPSA-N 1 2 333.432 2.440 10 30 EEEELO COc1c(C)[nH+]cnc1N1CCN(c2ccc(C#N)cc2F)CC1 ZINC000594548618 468618582 /nfs/dbraw/zinc/61/85/82/468618582.db2.gz WNLWZUFQBMMQTO-UHFFFAOYSA-N 1 2 327.363 2.131 10 30 EEEELO CN1CC[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1c1nc(C2CC2)no1 ZINC000583617678 468726712 /nfs/dbraw/zinc/72/67/12/468726712.db2.gz DEMUXDMDXBRECA-INIZCTEOSA-N 1 2 341.390 2.446 10 30 EEEELO CN1CC[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1c1nc(C2CC2)no1 ZINC000583617678 468726713 /nfs/dbraw/zinc/72/67/13/468726713.db2.gz DEMUXDMDXBRECA-INIZCTEOSA-N 1 2 341.390 2.446 10 30 EEEELO COc1cc(F)ccc1N1CC[NH+](Cc2ccc(C#N)cn2)CC1 ZINC000584299360 468839934 /nfs/dbraw/zinc/83/99/34/468839934.db2.gz HNLLDFOPPZKOOE-UHFFFAOYSA-N 1 2 326.375 2.423 10 30 EEEELO N#CCc1cccc(C(=O)N2CCc3[nH]c[nH+]c3C23CCOCC3)c1 ZINC000601652817 468951976 /nfs/dbraw/zinc/95/19/76/468951976.db2.gz JWQDBFGFYWCMRH-UHFFFAOYSA-N 1 2 336.395 2.180 10 30 EEEELO C[N@@H+]1CCN(S(=O)(=O)c2ccsc2C#N)[C@H](c2ccccc2)C1 ZINC000593525897 469017657 /nfs/dbraw/zinc/01/76/57/469017657.db2.gz NJAAOESEGKHUOP-AWEZNQCLSA-N 1 2 347.465 2.297 10 30 EEEELO C[N@H+]1CCN(S(=O)(=O)c2ccsc2C#N)[C@H](c2ccccc2)C1 ZINC000593525897 469017661 /nfs/dbraw/zinc/01/76/61/469017661.db2.gz NJAAOESEGKHUOP-AWEZNQCLSA-N 1 2 347.465 2.297 10 30 EEEELO N#CC1(C[C@H](O)C[N@@H+]2CCc3nccc(Br)c3C2)CC1 ZINC000598950510 469064302 /nfs/dbraw/zinc/06/43/02/469064302.db2.gz SBPKLUSNFPPBMI-NSHDSACASA-N 1 2 336.233 2.257 10 30 EEEELO N#CC1(C[C@H](O)C[N@H+]2CCc3nccc(Br)c3C2)CC1 ZINC000598950510 469064311 /nfs/dbraw/zinc/06/43/11/469064311.db2.gz SBPKLUSNFPPBMI-NSHDSACASA-N 1 2 336.233 2.257 10 30 EEEELO C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)[N@@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000593651185 469078933 /nfs/dbraw/zinc/07/89/33/469078933.db2.gz ZOUKNKDPEOQMGB-IUODEOHRSA-N 1 2 341.415 2.296 10 30 EEEELO C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)[N@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000593651185 469078942 /nfs/dbraw/zinc/07/89/42/469078942.db2.gz ZOUKNKDPEOQMGB-IUODEOHRSA-N 1 2 341.415 2.296 10 30 EEEELO C[C@]([NH2+]Cc1ccnc(C#N)c1)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000610994717 469134026 /nfs/dbraw/zinc/13/40/26/469134026.db2.gz JYYOSUVSLSSEPV-MRXNPFEDSA-N 1 2 348.328 2.462 10 30 EEEELO N#Cc1cccc([N+](=O)[O-])c1C[NH+]1CCC(OC[C@H]2CCOC2)CC1 ZINC000563095576 469168813 /nfs/dbraw/zinc/16/88/13/469168813.db2.gz ATOZQYDXOVDYHY-AWEZNQCLSA-N 1 2 345.399 2.484 10 30 EEEELO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC(Nc2ccccc2C#N)CC1 ZINC000602181616 469229736 /nfs/dbraw/zinc/22/97/36/469229736.db2.gz QGVSOYFKGPPFIP-IAGOWNOFSA-N 1 2 349.438 2.498 10 30 EEEELO Cc1cc(C(=O)Nc2cc[nH+]cc2N(C)C)nn1-c1cccc(C#N)c1 ZINC000612391635 469454169 /nfs/dbraw/zinc/45/41/69/469454169.db2.gz AJUZCVVWWBGKLS-UHFFFAOYSA-N 1 2 346.394 2.188 10 30 EEEELO CN(C)c1[nH+]cccc1CNC(=O)[C@H]1CCCN1c1ccc(C#N)cc1 ZINC000609107953 469890546 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326.440 2.045 10 30 EEEELO O=C(CC[C@H]1CCOC1)NC[C@@H]1CC[N@H+]1CC#Cc1ccccc1 ZINC001483643201 1190706137 /nfs/dbraw/zinc/70/61/37/1190706137.db2.gz WNRKXLPJBTXEGU-OALUTQOASA-N 1 2 326.440 2.045 10 30 EEEELO C=C(C)C(C)(C)C(=O)NC[C@H]1CC[N@@H+]1[C@H]1CCN(C(C)(C)C)C1=O ZINC001483669664 1190728338 /nfs/dbraw/zinc/72/83/38/1190728338.db2.gz ATPFLWCQOHTCAQ-CABCVRRESA-N 1 2 335.492 2.179 10 30 EEEELO C=C(C)C(C)(C)C(=O)NC[C@H]1CC[N@H+]1[C@H]1CCN(C(C)(C)C)C1=O ZINC001483669664 1190728340 /nfs/dbraw/zinc/72/83/40/1190728340.db2.gz ATPFLWCQOHTCAQ-CABCVRRESA-N 1 2 335.492 2.179 10 30 EEEELO C=CCN1CC[C@@H]([N@H+]2CC[C@H]2CNC(=O)C2(C)C(C)(C)C2(C)C)C1=O ZINC001483707941 1190787129 /nfs/dbraw/zinc/78/71/29/1190787129.db2.gz PGVDMWWJNVSEAW-LSDHHAIUSA-N 1 2 347.503 2.036 10 30 EEEELO C=CCN1CC[C@@H]([N@@H+]2CC[C@H]2CNC(=O)C2(C)C(C)(C)C2(C)C)C1=O ZINC001483707941 1190787131 /nfs/dbraw/zinc/78/71/31/1190787131.db2.gz PGVDMWWJNVSEAW-LSDHHAIUSA-N 1 2 347.503 2.036 10 30 EEEELO C=CCOCC[NH+]1CC(N(C)C(=O)CCc2ncc(C(C)(C)C)o2)C1 ZINC001483868588 1191099155 /nfs/dbraw/zinc/09/91/55/1191099155.db2.gz CGGSRHUSWRVVJS-UHFFFAOYSA-N 1 2 349.475 2.250 10 30 EEEELO CN(C(=O)CC#Cc1ccccc1)C1C[NH+](CCOC2CCC2)C1 ZINC001483893519 1191112444 /nfs/dbraw/zinc/11/24/44/1191112444.db2.gz XNEWMVAFYNTGCX-UHFFFAOYSA-N 1 2 326.440 2.140 10 30 EEEELO C#CCN(C(=O)CC(C)(C)C=C)C1CC[NH+](Cc2nonc2C)CC1 ZINC001483985202 1191142590 /nfs/dbraw/zinc/14/25/90/1191142590.db2.gz OCSVSUXMKVLVJN-UHFFFAOYSA-N 1 2 344.459 2.407 10 30 EEEELO C=CCCC(=O)N[C@]1(C)CC[N@H+](Cc2nc(-c3ccco3)no2)C1 ZINC001484034621 1191166872 /nfs/dbraw/zinc/16/68/72/1191166872.db2.gz LUGUSGDLHPTUNY-QGZVFWFLSA-N 1 2 330.388 2.376 10 30 EEEELO C=CCCC(=O)N[C@]1(C)CC[N@@H+](Cc2nc(-c3ccco3)no2)C1 ZINC001484034621 1191166874 /nfs/dbraw/zinc/16/68/74/1191166874.db2.gz LUGUSGDLHPTUNY-QGZVFWFLSA-N 1 2 330.388 2.376 10 30 EEEELO C=CCCCC(=O)NC[C@]1(C)CCC[N@@H+]([C@@H](C)c2nncn2C)C1 ZINC001484166236 1191253722 /nfs/dbraw/zinc/25/37/22/1191253722.db2.gz FCEXDPONNFDHTA-YJBOKZPZSA-N 1 2 333.480 2.451 10 30 EEEELO C=CCCCC(=O)NC[C@]1(C)CCC[N@H+]([C@@H](C)c2nncn2C)C1 ZINC001484166236 1191253724 /nfs/dbraw/zinc/25/37/24/1191253724.db2.gz FCEXDPONNFDHTA-YJBOKZPZSA-N 1 2 333.480 2.451 10 30 EEEELO CCC(=O)N[C@@]1(CO)CCC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001484423875 1191343721 /nfs/dbraw/zinc/34/37/21/1191343721.db2.gz IRDKPWPECXQZQO-SFHVURJKSA-N 1 2 334.847 2.045 10 30 EEEELO CCC(=O)N[C@@]1(CO)CCC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001484423875 1191343723 /nfs/dbraw/zinc/34/37/23/1191343723.db2.gz IRDKPWPECXQZQO-SFHVURJKSA-N 1 2 334.847 2.045 10 30 EEEELO C=C[C@@](C)(CCOC)C(=O)N[C@H]1COC2(C[NH+](CC=C(C)C)C2)C1 ZINC001484799184 1191523356 /nfs/dbraw/zinc/52/33/56/1191523356.db2.gz IJSVNIMAFVTUTP-AEFFLSMTSA-N 1 2 336.476 2.141 10 30 EEEELO C=C1CC(C)(C(=O)NC[C@@H]2CCC3(C[NH+](CCOC(C)C)C3)O2)C1 ZINC001484786998 1191525707 /nfs/dbraw/zinc/52/57/07/1191525707.db2.gz VLDCPKOONYMXPR-INIZCTEOSA-N 1 2 336.476 2.117 10 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/nfs/dbraw/zinc/55/55/44/1191555544.db2.gz ZHURVBCQVWKHQI-NSHDSACASA-N 1 2 326.334 2.108 10 30 EEEELO C=C(C)CC[NH2+]CC1(NC(=O)[C@H](F)C(F)(F)F)CCOCC1 ZINC001484864822 1191555546 /nfs/dbraw/zinc/55/55/46/1191555546.db2.gz ZHURVBCQVWKHQI-NSHDSACASA-N 1 2 326.334 2.108 10 30 EEEELO CC1(C)C[N@H+](Cc2cscn2)CC[C@@H]1NC(=O)CSCC#N ZINC001484932930 1191577455 /nfs/dbraw/zinc/57/74/55/1191577455.db2.gz AXEYWQACBPZCQV-ZDUSSCGKSA-N 1 2 338.502 2.117 10 30 EEEELO CC1(C)C[N@@H+](Cc2cscn2)CC[C@@H]1NC(=O)CSCC#N ZINC001484932930 1191577456 /nfs/dbraw/zinc/57/74/56/1191577456.db2.gz AXEYWQACBPZCQV-ZDUSSCGKSA-N 1 2 338.502 2.117 10 30 EEEELO C#Cc1ccc(C(=O)N[C@H](C)[C@@H](C)[NH2+]Cc2nnc(C3CC3)o2)cc1 ZINC001485178137 1191677971 /nfs/dbraw/zinc/67/79/71/1191677971.db2.gz BGEZDRJPCRYARM-CHWSQXEVSA-N 1 2 338.411 2.225 10 30 EEEELO C=C[C@@](C)(O)CC(=O)NC[C@H](C)[N@H+](C)Cc1cnc(Cl)s1 ZINC001485296755 1191723808 /nfs/dbraw/zinc/72/38/08/1191723808.db2.gz DPAHPUGHISGQSG-IINYFYTJSA-N 1 2 331.869 2.060 10 30 EEEELO C=C[C@@](C)(O)CC(=O)NC[C@H](C)[N@@H+](C)Cc1cnc(Cl)s1 ZINC001485296755 1191723810 /nfs/dbraw/zinc/72/38/10/1191723810.db2.gz DPAHPUGHISGQSG-IINYFYTJSA-N 1 2 331.869 2.060 10 30 EEEELO C=C(C)C[NH+]1CC(CCO)(NC(=O)C(C)(C)c2cccc(F)c2)C1 ZINC001485418870 1191781031 /nfs/dbraw/zinc/78/10/31/1191781031.db2.gz IQWWODAWKNCMDX-UHFFFAOYSA-N 1 2 334.435 2.232 10 30 EEEELO C=CCCC(=O)N[C@H]1CCC[N@H+](CC(=O)NC(C2CC2)C2CC2)[C@@H]1C ZINC001486171747 1193712008 /nfs/dbraw/zinc/71/20/08/1193712008.db2.gz QAOHIMGMAGYBCB-PBHICJAKSA-N 1 2 347.503 2.227 10 30 EEEELO C=CCCC(=O)N[C@H]1CCC[N@@H+](CC(=O)NC(C2CC2)C2CC2)[C@@H]1C ZINC001486171747 1193712010 /nfs/dbraw/zinc/71/20/10/1193712010.db2.gz QAOHIMGMAGYBCB-PBHICJAKSA-N 1 2 347.503 2.227 10 30 EEEELO C=C(C)C[C@@H](C)C(=O)NCC(C)(C)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001486765561 1194236560 /nfs/dbraw/zinc/23/65/60/1194236560.db2.gz LQBOMKZBLGUILU-OAHLLOKOSA-N 1 2 334.464 2.086 10 30 EEEELO C#CC[C@@H](COC)NC(=O)Nc1ccc2c(cc[nH+]c2N(C)C)c1 ZINC000879719441 1201224807 /nfs/dbraw/zinc/22/48/07/1201224807.db2.gz NMZMLHJSHGAKJI-HNNXBMFYSA-N 1 2 326.400 2.461 10 30 EEEELO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)CCC2(C)CC2)C1=O ZINC001490804461 1201679146 /nfs/dbraw/zinc/67/91/46/1201679146.db2.gz PGUUNJSPBGXXPN-IXDOHACOSA-N 1 2 345.487 2.029 10 30 EEEELO C=CCN1CC[C@@H]([N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)CCC2(C)CC2)C1=O ZINC001490804461 1201679148 /nfs/dbraw/zinc/67/91/48/1201679148.db2.gz PGUUNJSPBGXXPN-IXDOHACOSA-N 1 2 345.487 2.029 10 30 EEEELO COCC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1C[C@H](C)C[C@@H](C)C1 ZINC001490806199 1201689472 /nfs/dbraw/zinc/68/94/72/1201689472.db2.gz ZLIJPZWDOHVGRC-RWQQGDIJSA-N 1 2 332.488 2.384 10 30 EEEELO COCC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1C[C@H](C)C[C@@H](C)C1 ZINC001490806199 1201689473 /nfs/dbraw/zinc/68/94/73/1201689473.db2.gz ZLIJPZWDOHVGRC-RWQQGDIJSA-N 1 2 332.488 2.384 10 30 EEEELO C=CCCCS(=O)(=O)N1CC[NH+](CCCOC(C)(C)C)CC1 ZINC000882734928 1201930806 /nfs/dbraw/zinc/93/08/06/1201930806.db2.gz PDCHDNHPXDSYCE-UHFFFAOYSA-N 1 2 332.510 2.105 10 30 EEEELO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1cccc(OC2CCCC2)c1 ZINC000884074372 1202225051 /nfs/dbraw/zinc/22/50/51/1202225051.db2.gz NGUNKXGRKOCTKB-INIZCTEOSA-N 1 2 332.400 2.393 10 30 EEEELO C=CCC(CC=C)C(=O)N(C)C1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001299357698 1205130810 /nfs/dbraw/zinc/13/08/10/1205130810.db2.gz JQYYLSQHRXDRSI-UHFFFAOYSA-N 1 2 344.459 2.125 10 30 EEEELO C=CCCC(=O)NC[C@H](C)[N@H+](C)CC(=O)Nc1cc(F)ccc1F ZINC001275781676 1205524615 /nfs/dbraw/zinc/52/46/15/1205524615.db2.gz MTBVQWGCKWURNQ-LBPRGKRZSA-N 1 2 339.386 2.306 10 30 EEEELO C=CCCC(=O)NC[C@H](C)[N@@H+](C)CC(=O)Nc1cc(F)ccc1F ZINC001275781676 1205524616 /nfs/dbraw/zinc/52/46/16/1205524616.db2.gz MTBVQWGCKWURNQ-LBPRGKRZSA-N 1 2 339.386 2.306 10 30 EEEELO CC(C)C#CC(=O)NC[C@H](C)[N@@H+](C)Cc1nc(-c2cccs2)no1 ZINC001275827821 1205553240 /nfs/dbraw/zinc/55/32/40/1205553240.db2.gz NAWDIARZQNOYQR-ZDUSSCGKSA-N 1 2 346.456 2.394 10 30 EEEELO CC(C)C#CC(=O)NC[C@H](C)[N@H+](C)Cc1nc(-c2cccs2)no1 ZINC001275827821 1205553239 /nfs/dbraw/zinc/55/32/39/1205553239.db2.gz NAWDIARZQNOYQR-ZDUSSCGKSA-N 1 2 346.456 2.394 10 30 EEEELO C=CCOCC(=O)NC[C@@H]1CCCCC[N@H+]1Cc1ncc(CC)o1 ZINC001276289657 1205869635 /nfs/dbraw/zinc/86/96/35/1205869635.db2.gz OGVRSRPIDYPFEN-HNNXBMFYSA-N 1 2 335.448 2.300 10 30 EEEELO C=CCOCC(=O)NC[C@@H]1CCCCC[N@@H+]1Cc1ncc(CC)o1 ZINC001276289657 1205869637 /nfs/dbraw/zinc/86/96/37/1205869637.db2.gz OGVRSRPIDYPFEN-HNNXBMFYSA-N 1 2 335.448 2.300 10 30 EEEELO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(c2cncc(OC)c2)CC1 ZINC000931209193 1206616017 /nfs/dbraw/zinc/61/60/17/1206616017.db2.gz TZULEYGLMIMVBG-MRXNPFEDSA-N 1 2 346.475 2.025 10 30 EEEELO C#CC[N@@H+](Cc1cn(CC)nn1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000931741068 1207454056 /nfs/dbraw/zinc/45/40/56/1207454056.db2.gz HNFRGDMREIAOSD-UHFFFAOYSA-N 1 2 347.463 2.133 10 30 EEEELO C#CC[N@H+](Cc1cn(CC)nn1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000931741068 1207454057 /nfs/dbraw/zinc/45/40/57/1207454057.db2.gz HNFRGDMREIAOSD-UHFFFAOYSA-N 1 2 347.463 2.133 10 30 EEEELO CC(C)(C#N)CC[N@@H+]1C[C@@H]2[C@](C(F)(F)F)(C1)CCCS2(=O)=O ZINC000934790385 1208030474 /nfs/dbraw/zinc/03/04/74/1208030474.db2.gz XLNIVDISGFHILS-DGCLKSJQSA-N 1 2 338.395 2.368 10 30 EEEELO CC(C)(C#N)CC[N@H+]1C[C@@H]2[C@](C(F)(F)F)(C1)CCCS2(=O)=O ZINC000934790385 1208030477 /nfs/dbraw/zinc/03/04/77/1208030477.db2.gz XLNIVDISGFHILS-DGCLKSJQSA-N 1 2 338.395 2.368 10 30 EEEELO Cc1cccc(NC(=O)CO[NH+]=C(N)c2ccc3c(c2)CCO3)c1 ZINC000158240478 1208392031 /nfs/dbraw/zinc/39/20/31/1208392031.db2.gz ZGFWGTSXIFOFKI-UHFFFAOYSA-N 1 2 325.368 2.206 10 30 EEEELO C[C@]1(c2ccccc2)CC(=O)N(C[NH+]2CCC(C)(C#N)CC2)C1=O ZINC000779879330 1211636622 /nfs/dbraw/zinc/63/66/22/1211636622.db2.gz UEEFBJUCFOJIAF-LJQANCHMSA-N 1 2 325.412 2.286 10 30 EEEELO C=CCC[C@H]([NH2+]Cc1nnc2n1CCNC2=O)c1cccc(Cl)c1 ZINC000903221841 1240038423 /nfs/dbraw/zinc/03/84/23/1240038423.db2.gz URVBSCCVIGGHEH-AWEZNQCLSA-N 1 2 345.834 2.472 10 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ZINC001491121381 1258705791 /nfs/dbraw/zinc/70/57/91/1258705791.db2.gz XTAUBZDXUBTBSK-HOTGVXAUSA-N 1 2 333.480 2.229 10 30 EEEELO CCC(CC)NC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)C#CC(C)(C)C ZINC001491206397 1258777017 /nfs/dbraw/zinc/77/70/17/1258777017.db2.gz LTKYWTRVVZVUBW-QGZVFWFLSA-N 1 2 349.519 2.311 10 30 EEEELO CCC(CC)NC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)C#CC(C)(C)C ZINC001491206397 1258777020 /nfs/dbraw/zinc/77/70/20/1258777020.db2.gz LTKYWTRVVZVUBW-QGZVFWFLSA-N 1 2 349.519 2.311 10 30 EEEELO C=C(C)CCC(=O)N1CC[C@]2(CC[N@@H+]([C@@H](C)c3nnc(C)[nH]3)C2)C1 ZINC001671074627 1278352974 /nfs/dbraw/zinc/35/29/74/1278352974.db2.gz AXNUSOKPRKUPAI-KSSFIOAISA-N 1 2 331.464 2.455 10 30 EEEELO C=C(C)CCC(=O)N1CC[C@]2(CC[N@H+]([C@@H](C)c3nnc(C)[nH]3)C2)C1 ZINC001671074627 1278352983 /nfs/dbraw/zinc/35/29/83/1278352983.db2.gz AXNUSOKPRKUPAI-KSSFIOAISA-N 1 2 331.464 2.455 10 30 EEEELO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H](C)Oc1cccc(C)c1)CO2 ZINC001273729498 1284282237 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346.475 2.299 10 30 EEEELO C=C(C)CCC(=O)N1C[C@@H](C)[C@H](CCNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001490429758 1291341811 /nfs/dbraw/zinc/34/18/11/1291341811.db2.gz FFWYDJNBXPBBMN-HZPDHXFCSA-N 1 2 346.475 2.299 10 30 EEEELO C#C[C@@H](NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1)C1CCOCC1 ZINC000856100527 1293404635 /nfs/dbraw/zinc/40/46/35/1293404635.db2.gz OZMANGLJEHMACP-ZWKOTPCHSA-N 1 2 337.423 2.476 10 30 EEEELO COc1ccc(C[NH2+][C@H]2CS(=O)(=O)Cc3ccccc32)cc1C#N ZINC000856787874 1293631445 /nfs/dbraw/zinc/63/14/45/1293631445.db2.gz HKPWCUYUANDYSA-KRWDZBQOSA-N 1 2 342.420 2.326 10 30 EEEELO COCC#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H](C)Cc1ccccc1C ZINC001276977220 1300627313 /nfs/dbraw/zinc/62/73/13/1300627313.db2.gz HNBWRPTWXYAZON-IEBWSBKVSA-N 1 2 328.456 2.014 10 30 EEEELO COCC#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H](C)Cc1ccccc1C ZINC001276977220 1300627316 /nfs/dbraw/zinc/62/73/16/1300627316.db2.gz HNBWRPTWXYAZON-IEBWSBKVSA-N 1 2 328.456 2.014 10 30 EEEELO C=C[C@](C)(CC)C(=O)NCC1([NH2+]Cc2noc3c2COCC3)CC1 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EEEELO C=CCCOCC(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2Cc1coc(C)n1 ZINC001325915035 1333992981 /nfs/dbraw/zinc/99/29/81/1333992981.db2.gz BZMQMQSWFCIUAZ-SJORKVTESA-N 1 2 333.432 2.141 10 30 EEEELO C[C@@H](NCC#N)c1ccc(CNC(=O)CCCn2cc[nH+]c2)cc1 ZINC001326490041 1334103244 /nfs/dbraw/zinc/10/32/44/1334103244.db2.gz MIVHSZZNNRHIOY-OAHLLOKOSA-N 1 2 325.416 2.154 10 30 EEEELO C=CC(C)(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2nnnn2CCCC)CC1 ZINC001327141850 1334232410 /nfs/dbraw/zinc/23/24/10/1334232410.db2.gz GHMKFFVSGGLLOB-OAHLLOKOSA-N 1 2 348.495 2.156 10 30 EEEELO C=CC(C)(C)C(=O)N[C@@H]1CCC[N@H+](Cc2nnnn2CCCC)CC1 ZINC001327141850 1334232412 /nfs/dbraw/zinc/23/24/12/1334232412.db2.gz GHMKFFVSGGLLOB-OAHLLOKOSA-N 1 2 348.495 2.156 10 30 EEEELO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)CC1CCC(OC)CC1)O2 ZINC001327371467 1334279349 /nfs/dbraw/zinc/27/93/49/1334279349.db2.gz FLOIUODPTFDPMZ-OFLPRAFFSA-N 1 2 336.476 2.117 10 30 EEEELO C=CCOCC[NH+]1CC2(C1)C[C@@H](NC(=O)C1(C3CCC3)CCC1)CO2 ZINC001327397076 1334284500 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ZINC001661083973 1354588040 /nfs/dbraw/zinc/58/80/40/1354588040.db2.gz VCVNGOUJRBSBQW-UHFFFAOYSA-N 1 2 335.448 2.389 10 30 EEEELO C=C1CCC(C(=O)NCC[N@@H+](CCC)[C@@H](C)c2nncn2C)CC1 ZINC001663679626 1355016051 /nfs/dbraw/zinc/01/60/51/1355016051.db2.gz NAUBLCFDLXTIJG-HNNXBMFYSA-N 1 2 333.480 2.451 10 30 EEEELO C=C1CCC(C(=O)NCC[N@H+](CCC)[C@@H](C)c2nncn2C)CC1 ZINC001663679626 1355016055 /nfs/dbraw/zinc/01/60/55/1355016055.db2.gz NAUBLCFDLXTIJG-HNNXBMFYSA-N 1 2 333.480 2.451 10 30 EEEELO C=CC[C@H](C(=O)N(C)CC[NH2+]Cc1cnsn1)c1ccccc1 ZINC001664387788 1355152318 /nfs/dbraw/zinc/15/23/18/1355152318.db2.gz VXZYSMLANVMYTD-INIZCTEOSA-N 1 2 330.457 2.446 10 30 EEEELO C=CCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C)C(=O)NC(CC)CC ZINC001664608157 1355199465 /nfs/dbraw/zinc/19/94/65/1355199465.db2.gz CPFQPKPCAVAXJD-OIISXLGYSA-N 1 2 335.492 2.321 10 30 EEEELO C=CCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)C(=O)NC(CC)CC ZINC001664608157 1355199467 /nfs/dbraw/zinc/19/94/67/1355199467.db2.gz CPFQPKPCAVAXJD-OIISXLGYSA-N 1 2 335.492 2.321 10 30 EEEELO C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@H](NC(=O)c2ccc(C)o2)C1 ZINC001665034379 1355266547 /nfs/dbraw/zinc/26/65/47/1355266547.db2.gz FJVMYOGFMLRLNJ-INIZCTEOSA-N 1 2 347.459 2.207 10 30 EEEELO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@H](NC(=O)c2ccc(C)o2)C1 ZINC001665034379 1355266550 /nfs/dbraw/zinc/26/65/50/1355266550.db2.gz FJVMYOGFMLRLNJ-INIZCTEOSA-N 1 2 347.459 2.207 10 30 EEEELO C=CCC1(C(=O)N(C)CCC[N@@H+](C)[C@@H](C)c2nncn2C)CCC1 ZINC001673466806 1355323654 /nfs/dbraw/zinc/32/36/54/1355323654.db2.gz GLEYPKIRIGXYBA-HNNXBMFYSA-N 1 2 333.480 2.403 10 30 EEEELO C=CCC1(C(=O)N(C)CCC[N@H+](C)[C@@H](C)c2nncn2C)CCC1 ZINC001673466806 1355323657 /nfs/dbraw/zinc/32/36/57/1355323657.db2.gz GLEYPKIRIGXYBA-HNNXBMFYSA-N 1 2 333.480 2.403 10 30 EEEELO C[C@H](CC[NH2+]Cc1cccc(C#N)c1)NC(=O)C(F)C(F)(F)F ZINC001668065004 1355860602 /nfs/dbraw/zinc/86/06/02/1355860602.db2.gz DRRZJOUNGASLBM-MFKMUULPSA-N 1 2 331.313 2.443 10 30 EEEELO C[C@H](CC[NH2+]Cc1cccc(C#N)c1)NC(=O)[C@H](F)C(F)(F)F ZINC001668065004 1355860608 /nfs/dbraw/zinc/86/06/08/1355860608.db2.gz DRRZJOUNGASLBM-MFKMUULPSA-N 1 2 331.313 2.443 10 30 EEEELO C#CCN(C(=O)CCC)C1CC[NH+]([C@@H](C)c2nc(CC)no2)CC1 ZINC001671450403 1356340727 /nfs/dbraw/zinc/34/07/27/1356340727.db2.gz IATOXSIQLAYQDG-AWEZNQCLSA-N 1 2 332.448 2.419 10 30 EEEELO C#CCN(C(=O)[C@@H]1CC=CCC1)C1CC[NH+](Cc2nnc(C)o2)CC1 ZINC001671456149 1356342333 /nfs/dbraw/zinc/34/23/33/1356342333.db2.gz HRFQMYZGBGZTHN-MRXNPFEDSA-N 1 2 342.443 2.161 10 30 EEEELO C#CCN(C(=O)CC(C)(F)F)C1CC[NH+](Cc2cnns2)CC1 ZINC001671492263 1356349653 /nfs/dbraw/zinc/34/96/53/1356349653.db2.gz UVOMDCGGFOMOFD-UHFFFAOYSA-N 1 2 342.415 2.010 10 30 EEEELO C=CCCO[C@H](C)C(=O)NC[C@@]1(C)CCC[N@H+](Cc2nccn2C)C1 ZINC001671876562 1356428615 /nfs/dbraw/zinc/42/86/15/1356428615.db2.gz BHLZEYPBAGRLPK-VQIMIIECSA-N 1 2 348.491 2.120 10 30 EEEELO C=CCCO[C@H](C)C(=O)NC[C@@]1(C)CCC[N@@H+](Cc2nccn2C)C1 ZINC001671876562 1356428619 /nfs/dbraw/zinc/42/86/19/1356428619.db2.gz BHLZEYPBAGRLPK-VQIMIIECSA-N 1 2 348.491 2.120 10 30 EEEELO C=CCCC(=O)NC[C@@H]1C[N@H+](Cc2snnc2C)CCC1(F)F ZINC001671961913 1356444211 /nfs/dbraw/zinc/44/42/11/1356444211.db2.gz BIZIBWRDYIDBTO-GFCCVEGCSA-N 1 2 344.431 2.386 10 30 EEEELO C=CCCC(=O)NC[C@@H]1C[N@@H+](Cc2snnc2C)CCC1(F)F ZINC001671961913 1356444212 /nfs/dbraw/zinc/44/42/12/1356444212.db2.gz BIZIBWRDYIDBTO-GFCCVEGCSA-N 1 2 344.431 2.386 10 30 EEEELO C#CCC[N@H+]1CCOC[C@@H]1CNC(=O)Cc1cccc(C(F)F)c1 ZINC001673049843 1356638549 /nfs/dbraw/zinc/63/85/49/1356638549.db2.gz RRMZYDTZYMHJAE-INIZCTEOSA-N 1 2 336.382 2.007 10 30 EEEELO C#CCC[N@@H+]1CCOC[C@@H]1CNC(=O)Cc1cccc(C(F)F)c1 ZINC001673049843 1356638553 /nfs/dbraw/zinc/63/85/53/1356638553.db2.gz RRMZYDTZYMHJAE-INIZCTEOSA-N 1 2 336.382 2.007 10 30 EEEELO C=CCCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cc(-c2ccco2)on1 ZINC001673055587 1356639038 /nfs/dbraw/zinc/63/90/38/1356639038.db2.gz UMTXISUTUXPEFN-CQSZACIVSA-N 1 2 345.399 2.331 10 30 EEEELO C=CCCC[N@H+]1CCOC[C@H]1CNC(=O)c1cc(-c2ccco2)on1 ZINC001673055587 1356639044 /nfs/dbraw/zinc/63/90/44/1356639044.db2.gz UMTXISUTUXPEFN-CQSZACIVSA-N 1 2 345.399 2.331 10 30 EEEELO C=CCCOCC(=O)N[C@H]1CCC[N@@H+]([C@H](C)c2csnn2)CC1 ZINC001673406264 1356687222 /nfs/dbraw/zinc/68/72/22/1356687222.db2.gz CYMVBRKULSHBDD-KGLIPLIRSA-N 1 2 338.477 2.163 10 30 EEEELO C=CCCOCC(=O)N[C@H]1CCC[N@H+]([C@H](C)c2csnn2)CC1 ZINC001673406264 1356687227 /nfs/dbraw/zinc/68/72/27/1356687227.db2.gz CYMVBRKULSHBDD-KGLIPLIRSA-N 1 2 338.477 2.163 10 30 EEEELO C=CCOCC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1oc(C)cc1C)O2 ZINC001673526258 1356703009 /nfs/dbraw/zinc/70/30/09/1356703009.db2.gz CACJRAPKIYEYSX-MRXNPFEDSA-N 1 2 348.443 2.062 10 30 EEEELO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)CCc1cncc(C)c1 ZINC001673634732 1356721644 /nfs/dbraw/zinc/72/16/44/1356721644.db2.gz UCFWXSWPJGKGBU-OAQYLSRUSA-N 1 2 347.462 2.499 10 30 EEEELO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)CCc1cncc(C)c1 ZINC001673634732 1356721646 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C=CC(C)(C)C(=O)N[C@@H](CNC(=O)CCn1cc[nH+]c1)C(C)(C)C ZINC001681059800 1357947008 /nfs/dbraw/zinc/94/70/08/1357947008.db2.gz BAYHQIBVLJPIDI-AWEZNQCLSA-N 1 2 334.464 2.133 10 30 EEEELO C=C(C)CCC(=O)N[C@@H]1CC[C@H](CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001684422106 1358264356 /nfs/dbraw/zinc/26/43/56/1358264356.db2.gz HYKYMGCEGZJOFX-HRCADAONSA-N 1 2 346.475 2.346 10 30 EEEELO C=C(C)CCC(=O)N[C@@H]1CC[C@H](CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001684422106 1358264359 /nfs/dbraw/zinc/26/43/59/1358264359.db2.gz HYKYMGCEGZJOFX-HRCADAONSA-N 1 2 346.475 2.346 10 30 EEEELO C=CCCCC(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1[nH]c[nH+]c1C ZINC001688034315 1358739170 /nfs/dbraw/zinc/73/91/70/1358739170.db2.gz HQRSJORWVIDIMO-MQVJKMGUSA-N 1 2 344.459 2.255 10 30 EEEELO C=C(C)CCC(=O)N1CCC[C@H](CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001688069566 1358760483 /nfs/dbraw/zinc/76/04/83/1358760483.db2.gz MOLLLVBHIRXMCQ-JKSUJKDBSA-N 1 2 346.475 2.299 10 30 EEEELO 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EEEELO Cc1cc(NC(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)nn1CCC#N ZINC000369803448 466756111 /nfs/dbraw/zinc/75/61/11/466756111.db2.gz AXVVNPJXBJJTTG-ZDUSSCGKSA-N 1 2 340.431 2.695 10 30 EEEELO CO[C@H]1CC[N@H+](CCS(=O)(=O)c2cccc(C#N)c2)CC1(C)C ZINC000451565176 467260732 /nfs/dbraw/zinc/26/07/32/467260732.db2.gz MVFHJPRTKLUCAJ-INIZCTEOSA-N 1 2 336.457 2.079 10 30 EEEELO CO[C@H]1CC[N@@H+](CCS(=O)(=O)c2cccc(C#N)c2)CC1(C)C ZINC000451565176 467260735 /nfs/dbraw/zinc/26/07/35/467260735.db2.gz MVFHJPRTKLUCAJ-INIZCTEOSA-N 1 2 336.457 2.079 10 30 EEEELO COc1c(C)c[nH+]c(CN(C)S(=O)(=O)CC2(C#N)CCC2)c1C ZINC000565742757 468136944 /nfs/dbraw/zinc/13/69/44/468136944.db2.gz DHSVYRODWMYIRX-UHFFFAOYSA-N 1 2 337.445 2.163 10 30 EEEELO COc1cc2c(cc1F)C[N@H+](Cc1cnc3c(C#N)cnn3c1)CC2 ZINC000519651739 468190186 /nfs/dbraw/zinc/19/01/86/468190186.db2.gz FJAAERGFRQBQMO-UHFFFAOYSA-N 1 2 337.358 2.307 10 30 EEEELO COc1cc2c(cc1F)C[N@@H+](Cc1cnc3c(C#N)cnn3c1)CC2 ZINC000519651739 468190191 /nfs/dbraw/zinc/19/01/91/468190191.db2.gz FJAAERGFRQBQMO-UHFFFAOYSA-N 1 2 337.358 2.307 10 30 EEEELO Cc1cnc([C@H](C)[NH+]2CCN(c3oc(C4CC4)nc3C#N)CC2)cn1 ZINC000589984908 468201255 /nfs/dbraw/zinc/20/12/55/468201255.db2.gz FTYOCQCGDYISLJ-ZDUSSCGKSA-N 1 2 338.415 2.405 10 30 EEEELO CC1(C)C[NH+](CC(=O)N[C@@H](C#N)c2ccccc2Br)C1 ZINC000594296065 468545935 /nfs/dbraw/zinc/54/59/35/468545935.db2.gz GSEUEYHCSKOHDO-ZDUSSCGKSA-N 1 2 336.233 2.472 10 30 EEEELO N#CCCCCC(=O)Nc1ccc2[nH]c(N3CCOCC3)[nH+]c2c1 ZINC000594419870 468579763 /nfs/dbraw/zinc/57/97/63/468579763.db2.gz BZRLSPOZTJJRFD-UHFFFAOYSA-N 1 2 327.388 2.422 10 30 EEEELO N#CCCN(C(=O)C[N@@H+]1CCO[C@H](C2CCC2)C1)c1ccccc1 ZINC000570058234 468585331 /nfs/dbraw/zinc/58/53/31/468585331.db2.gz IVZJAUNKUYPYAE-SFHVURJKSA-N 1 2 327.428 2.434 10 30 EEEELO N#CCCN(C(=O)C[N@H+]1CCO[C@H](C2CCC2)C1)c1ccccc1 ZINC000570058234 468585337 /nfs/dbraw/zinc/58/53/37/468585337.db2.gz IVZJAUNKUYPYAE-SFHVURJKSA-N 1 2 327.428 2.434 10 30 EEEELO CN1CC[N@H+](Cc2ccccc2)[C@H](CNC(=O)CCCCC#N)C1 ZINC000598507520 468892085 /nfs/dbraw/zinc/89/20/85/468892085.db2.gz UONPRQJILPEEPF-GOSISDBHSA-N 1 2 328.460 2.003 10 30 EEEELO CN1CC[N@@H+](Cc2ccccc2)[C@H](CNC(=O)CCCCC#N)C1 ZINC000598507520 468892090 /nfs/dbraw/zinc/89/20/90/468892090.db2.gz UONPRQJILPEEPF-GOSISDBHSA-N 1 2 328.460 2.003 10 30 EEEELO C=C(C)C[C@@H](NC(=O)C[C@H](c1[nH+]ccn1C)C(F)(F)F)C(=O)OC ZINC000601781088 469022234 /nfs/dbraw/zinc/02/22/34/469022234.db2.gz HEJGIURBXDSQOJ-GHMZBOCLSA-N 1 2 347.337 2.080 10 30 EEEELO N#Cc1cc(C[N@H+]2CCCN(C(=O)c3cccc(F)c3)CC2)ccn1 ZINC000610991768 469131870 /nfs/dbraw/zinc/13/18/70/469131870.db2.gz IFXVYEGOFCXSNK-UHFFFAOYSA-N 1 2 338.386 2.440 10 30 EEEELO N#Cc1cc(C[N@@H+]2CCCN(C(=O)c3cccc(F)c3)CC2)ccn1 ZINC000610991768 469131874 /nfs/dbraw/zinc/13/18/74/469131874.db2.gz IFXVYEGOFCXSNK-UHFFFAOYSA-N 1 2 338.386 2.440 10 30 EEEELO Cc1cccc(S(=O)(=O)Nc2cnn(-c3cc[nH+]cc3)c2)c1C#N ZINC000610999969 469136177 /nfs/dbraw/zinc/13/61/77/469136177.db2.gz JSHLIZVTVQLSCW-UHFFFAOYSA-N 1 2 339.380 2.248 10 30 EEEELO CCOC(=O)C1([S@@](C)=O)CC[NH+](Cc2ccc(C)c(C#N)c2)CC1 ZINC000599432105 469253743 /nfs/dbraw/zinc/25/37/43/469253743.db2.gz HVAYVQPXLLULSI-XMMPIXPASA-N 1 2 348.468 2.143 10 30 EEEELO C/C(=N/NC(=S)NC[C@@H]1CCCO1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000006185317 518450681 /nfs/dbraw/zinc/45/06/81/518450681.db2.gz LBCSOFXWTOJBIC-SMEDBKPVSA-N 1 2 343.456 2.239 10 30 EEEELO CC(C)(C)C[N@H+](CCC#N)CC(=O)NCCN1CCc2ccccc21 ZINC000111250770 527681159 /nfs/dbraw/zinc/68/11/59/527681159.db2.gz YFJULWBPFQXENG-UHFFFAOYSA-N 1 2 342.487 2.427 10 30 EEEELO CC(C)(C)C[N@@H+](CCC#N)CC(=O)NCCN1CCc2ccccc21 ZINC000111250770 527681160 /nfs/dbraw/zinc/68/11/60/527681160.db2.gz YFJULWBPFQXENG-UHFFFAOYSA-N 1 2 342.487 2.427 10 30 EEEELO Cc1nn(C)c(N2CCOCC2)c1C=[NH+]Nc1cccc(F)c1F ZINC000755748616 577830329 /nfs/dbraw/zinc/83/03/29/577830329.db2.gz DKTBEQVBXTYPAM-UHFFFAOYSA-N 1 2 335.358 2.289 10 30 EEEELO COc1ccc(CNC(=O)c2ccnc(-n3cc[nH+]c3)c2)cc1C#N ZINC000747446746 577944401 /nfs/dbraw/zinc/94/44/01/577944401.db2.gz FKSREEUYNWZAGM-UHFFFAOYSA-N 1 2 333.351 2.078 10 30 EEEELO N#C[C@]1(c2nc(Cc3ccc(-n4cc[nH+]c4)cc3)no2)CCCOC1 ZINC000896820419 685292161 /nfs/dbraw/zinc/29/21/61/685292161.db2.gz DYSRBQOQBSNRCD-GOSISDBHSA-N 1 2 335.367 2.418 10 30 EEEELO C#C[C@H]([NH2+][C@@H]1CCCS(=O)(=O)C1)c1ccc(Br)cc1 ZINC000894667524 683017270 /nfs/dbraw/zinc/01/72/70/683017270.db2.gz GWZJHHKLVBBUTK-KGLIPLIRSA-N 1 2 342.258 2.290 10 30 EEEELO COCc1ccccc1/C=C(\C)C[NH+]1CCN(C(=O)CC#N)CC1 ZINC000895065671 683656980 /nfs/dbraw/zinc/65/69/80/683656980.db2.gz GUFSPVGPLQZDSR-DTQAZKPQSA-N 1 2 327.428 2.294 10 30 EEEELO C#CC1(O)CC[NH+](Cc2c(C(F)(F)F)nc3n2CCCC3)CC1 ZINC000895386117 684574192 /nfs/dbraw/zinc/57/41/92/684574192.db2.gz SZOKOVUFQPDCED-UHFFFAOYSA-N 1 2 327.350 2.198 10 30 EEEELO C#CCN(C(=O)NC[C@H]1C[N@H+](Cc2cccc(C)c2)CCO1)C(C)C ZINC000923916883 692920515 /nfs/dbraw/zinc/92/05/15/692920515.db2.gz CWNYXQXXQOXNKC-IBGZPJMESA-N 1 2 343.471 2.249 10 30 EEEELO C#CCN(C(=O)NC[C@H]1C[N@@H+](Cc2cccc(C)c2)CCO1)C(C)C ZINC000923916883 692920518 /nfs/dbraw/zinc/92/05/18/692920518.db2.gz CWNYXQXXQOXNKC-IBGZPJMESA-N 1 2 343.471 2.249 10 30 EEEELO C=CC(C)(C)C(=O)N[C@H](C)C1C[NH+](CC(=O)NCC2CCCCC2)C1 ZINC001485521067 1191824533 /nfs/dbraw/zinc/82/45/33/1191824533.db2.gz XUXRYBDCCWPCGV-OAHLLOKOSA-N 1 2 349.519 2.332 10 30 EEEELO CC#CC[NH+]1CCN(CCCNC(=O)c2c(C)cccc2Cl)CC1 ZINC001266271790 1176070985 /nfs/dbraw/zinc/07/09/85/1176070985.db2.gz RNCQIGNRHFVMCL-UHFFFAOYSA-N 1 2 347.890 2.409 10 30 EEEELO C#CCO[C@@H](C)C(=O)N(CCC)C1CC[NH+](Cc2cscn2)CC1 ZINC001266386964 1176458861 /nfs/dbraw/zinc/45/88/61/1176458861.db2.gz ZFGUFTUXNCLVEP-HNNXBMFYSA-N 1 2 349.500 2.384 10 30 EEEELO CC[N@H+](CCNC(=O)C#CC(C)C)CC(=O)Nc1ccc(C)c(F)c1 ZINC001266387727 1176460642 /nfs/dbraw/zinc/46/06/42/1176460642.db2.gz DORWPRUFZLWTBU-UHFFFAOYSA-N 1 2 347.434 2.170 10 30 EEEELO CC[N@@H+](CCNC(=O)C#CC(C)C)CC(=O)Nc1ccc(C)c(F)c1 ZINC001266387727 1176460648 /nfs/dbraw/zinc/46/06/48/1176460648.db2.gz DORWPRUFZLWTBU-UHFFFAOYSA-N 1 2 347.434 2.170 10 30 EEEELO C=C(Cl)C[N@H+](CC)CCNC(=O)[C@H]1CCCN(C(C)(C)C)C1=O ZINC001266410443 1176499042 /nfs/dbraw/zinc/49/90/42/1176499042.db2.gz BAIUHJBZQVDQGO-CQSZACIVSA-N 1 2 343.899 2.214 10 30 EEEELO C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@H]1CCCN(C(C)(C)C)C1=O ZINC001266410443 1176499045 /nfs/dbraw/zinc/49/90/45/1176499045.db2.gz BAIUHJBZQVDQGO-CQSZACIVSA-N 1 2 343.899 2.214 10 30 EEEELO C=C(Br)C[N@@H+]1CCC[C@@H]1CNC(=O)CCOCC1CC1 ZINC001266464448 1176584962 /nfs/dbraw/zinc/58/49/62/1176584962.db2.gz APUKPYMLGTYKKM-CQSZACIVSA-N 1 2 345.281 2.292 10 30 EEEELO C=C(Br)C[N@H+]1CCC[C@@H]1CNC(=O)CCOCC1CC1 ZINC001266464448 1176584967 /nfs/dbraw/zinc/58/49/67/1176584967.db2.gz APUKPYMLGTYKKM-CQSZACIVSA-N 1 2 345.281 2.292 10 30 EEEELO C=C[C@H](C(=O)N[C@@H](C[NH2+]Cc1nnc(C)o1)C1CC1)c1ccccc1 ZINC001670556218 1176901268 /nfs/dbraw/zinc/90/12/68/1176901268.db2.gz JGTKKWFPBKHHAB-IRXDYDNUSA-N 1 2 340.427 2.332 10 30 EEEELO C=CC(C)(C)C(=O)NCC[N@@H+]([C@@H](C)C(=O)Nc1cc(C)no1)C1CC1 ZINC001266604822 1176941006 /nfs/dbraw/zinc/94/10/06/1176941006.db2.gz RLFIESSAUJFRDD-ZDUSSCGKSA-N 1 2 348.447 2.103 10 30 EEEELO C=CC(C)(C)C(=O)NCC[N@H+]([C@@H](C)C(=O)Nc1cc(C)no1)C1CC1 ZINC001266604822 1176941011 /nfs/dbraw/zinc/94/10/11/1176941011.db2.gz RLFIESSAUJFRDD-ZDUSSCGKSA-N 1 2 348.447 2.103 10 30 EEEELO C=C1CC(C)(C(=O)NC[C@@H]2CC[N@H+]2[C@H](C)C(=O)N2CCCCCC2)C1 ZINC001670687420 1176998785 /nfs/dbraw/zinc/99/87/85/1176998785.db2.gz TZVHYPSUJROFIX-SJORKVTESA-N 1 2 347.503 2.324 10 30 EEEELO C=C1CC(C)(C(=O)NC[C@@H]2CC[N@@H+]2[C@H](C)C(=O)N2CCCCCC2)C1 ZINC001670687420 1176998789 /nfs/dbraw/zinc/99/87/89/1176998789.db2.gz TZVHYPSUJROFIX-SJORKVTESA-N 1 2 347.503 2.324 10 30 EEEELO CC(C)(C)C#CC(=O)NC[C@H]1CCC[N@H+](Cc2nc(C3CC3)no2)C1 ZINC001266750000 1177346589 /nfs/dbraw/zinc/34/65/89/1177346589.db2.gz OWBLKDQWNZIZIT-CQSZACIVSA-N 1 2 344.459 2.325 10 30 EEEELO CC(C)(C)C#CC(=O)NC[C@H]1CCC[N@@H+](Cc2nc(C3CC3)no2)C1 ZINC001266750000 1177346594 /nfs/dbraw/zinc/34/65/94/1177346594.db2.gz OWBLKDQWNZIZIT-CQSZACIVSA-N 1 2 344.459 2.325 10 30 EEEELO C#CCCCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cc2n(n1)CCCC2 ZINC001266839584 1177513120 /nfs/dbraw/zinc/51/31/20/1177513120.db2.gz DMNJYNOMXDSLEQ-LJQANCHMSA-N 1 2 342.487 2.494 10 30 EEEELO C#CCCCC(=O)NC[C@H]1CCCC[N@H+]1Cc1cc2n(n1)CCCC2 ZINC001266839584 1177513124 /nfs/dbraw/zinc/51/31/24/1177513124.db2.gz DMNJYNOMXDSLEQ-LJQANCHMSA-N 1 2 342.487 2.494 10 30 EEEELO C#CCCCC(=O)N1CCCC[C@H]1C[NH2+]Cc1nnc(C(C)C)o1 ZINC001266866244 1177623291 /nfs/dbraw/zinc/62/32/91/1177623291.db2.gz KZSVDHMPVGTFAP-HNNXBMFYSA-N 1 2 332.448 2.467 10 30 EEEELO C=C(C)C(C)(C)C(=O)NCC[N@@H+](C)CC(=O)N[C@@H](C)c1ccco1 ZINC001480898969 1177755571 /nfs/dbraw/zinc/75/55/71/1177755571.db2.gz WVBCMOQUZVSPGK-AWEZNQCLSA-N 1 2 335.448 2.107 10 30 EEEELO C=C(C)C(C)(C)C(=O)NCC[N@H+](C)CC(=O)N[C@@H](C)c1ccco1 ZINC001480898969 1177755581 /nfs/dbraw/zinc/75/55/81/1177755581.db2.gz WVBCMOQUZVSPGK-AWEZNQCLSA-N 1 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VYDUBSNCONDLQU-IRXDYDNUSA-N 1 2 346.475 2.373 10 30 EEEELO C=CCC1(C(=O)N2CC[C@H](CN(C)C(=O)Cc3[nH]cc[nH+]3)C2)CCC1 ZINC001530190311 1121855809 /nfs/dbraw/zinc/85/58/09/1121855809.db2.gz OLIBZHANVZWAMR-OAHLLOKOSA-N 1 2 344.459 2.006 10 30 EEEELO C=C(C)C[C@@H](C)C(=O)N(C)CC1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001530226577 1121890845 /nfs/dbraw/zinc/89/08/45/1121890845.db2.gz JOWYMYUGEGHBQE-OAHLLOKOSA-N 1 2 346.475 2.252 10 30 EEEELO C=C(C)CCC(=O)NC1C[C@H]2CCC[C@@H](C1)N2C(=O)Cc1[nH]cc[nH+]1 ZINC001536095200 1123649427 /nfs/dbraw/zinc/64/94/27/1123649427.db2.gz UHJHIIVHAFRLIK-MQVJKMGUSA-N 1 2 344.459 2.337 10 30 EEEELO C=C(C)C[C@H](C)C(=O)NC[C@H](NC(=O)Cc1[nH]cc[nH+]1)C1CCCC1 ZINC001536704208 1123781658 /nfs/dbraw/zinc/78/16/58/1123781658.db2.gz GMHNOWANNBZIES-HOCLYGCPSA-N 1 2 346.475 2.346 10 30 EEEELO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[C@@H]2CCc3ccccc32)C1 ZINC001568226859 1124372522 /nfs/dbraw/zinc/37/25/22/1124372522.db2.gz NOOMXUQUXGJKSC-ROUUACIJSA-N 1 2 328.456 2.500 10 30 EEEELO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)C[C@@H]2CCc3ccccc32)C1 ZINC001568226859 1124372525 /nfs/dbraw/zinc/37/25/25/1124372525.db2.gz NOOMXUQUXGJKSC-ROUUACIJSA-N 1 2 328.456 2.500 10 30 EEEELO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H](C)Cc2ccc(F)cc2)C1 ZINC001568229765 1124375196 /nfs/dbraw/zinc/37/51/96/1124375196.db2.gz LALRWJDYNAFSRX-YJBOKZPZSA-N 1 2 334.435 2.397 10 30 EEEELO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@@H](C)Cc2ccc(F)cc2)C1 ZINC001568229765 1124375199 /nfs/dbraw/zinc/37/51/99/1124375199.db2.gz LALRWJDYNAFSRX-YJBOKZPZSA-N 1 2 334.435 2.397 10 30 EEEELO CC(C)c1ocnc1C[NH2+]C/C=C\CNC(=O)c1c[nH]c(C#N)c1 ZINC001568839868 1124859362 /nfs/dbraw/zinc/85/93/62/1124859362.db2.gz LTFXCSLRXRMKFZ-ARJAWSKDSA-N 1 2 327.388 2.074 10 30 EEEELO C=C[C@@](C)(CC)C(=O)N[C@@H](C)C[NH2+]Cc1ncn(-c2ccccc2)n1 ZINC001569078858 1125084500 /nfs/dbraw/zinc/08/45/00/1125084500.db2.gz DVDMSLKFVOYIMA-KXBFYZLASA-N 1 2 341.459 2.464 10 30 EEEELO C=CCC(C)(C)C(=O)N[C@@H](C)C[N@H+](C)[C@@H](C(N)=O)c1ccc(F)cc1 ZINC001569141593 1125122627 /nfs/dbraw/zinc/12/26/27/1125122627.db2.gz TXCKAICQNNFKEN-XJKSGUPXSA-N 1 2 349.450 2.391 10 30 EEEELO C=CCC(C)(C)C(=O)N[C@@H](C)C[N@@H+](C)[C@@H](C(N)=O)c1ccc(F)cc1 ZINC001569141593 1125122628 /nfs/dbraw/zinc/12/26/28/1125122628.db2.gz TXCKAICQNNFKEN-XJKSGUPXSA-N 1 2 349.450 2.391 10 30 EEEELO C=CCOc1ccc(NC(=O)C[NH+]2CCC(C(=O)OCC)CC2)cc1 ZINC000066092843 215008599 /nfs/dbraw/zinc/00/85/99/215008599.db2.gz GIRPQXKNMYXOPF-UHFFFAOYSA-N 1 2 346.427 2.465 10 30 EEEELO Cc1cc(C)n(C[C@H]2C[N@H+](CCOc3ccc(C#N)cc3)CCO2)n1 ZINC000069351339 202274761 /nfs/dbraw/zinc/27/47/61/202274761.db2.gz DHRTYDDKCHUNMJ-LJQANCHMSA-N 1 2 340.427 2.151 10 30 EEEELO Cc1cc(C)n(C[C@H]2C[N@@H+](CCOc3ccc(C#N)cc3)CCO2)n1 ZINC000069351339 202274764 /nfs/dbraw/zinc/27/47/64/202274764.db2.gz DHRTYDDKCHUNMJ-LJQANCHMSA-N 1 2 340.427 2.151 10 30 EEEELO C[C@H]1C[N@@H+]([C@H](CNc2nccnc2C#N)c2cccs2)CCO1 ZINC000252506858 201183363 /nfs/dbraw/zinc/18/33/63/201183363.db2.gz WTZNWNWUWYIYRC-GXTWGEPZSA-N 1 2 329.429 2.284 10 30 EEEELO C[C@H]1C[N@H+]([C@H](CNc2nccnc2C#N)c2cccs2)CCO1 ZINC000252506858 201183366 /nfs/dbraw/zinc/18/33/66/201183366.db2.gz WTZNWNWUWYIYRC-GXTWGEPZSA-N 1 2 329.429 2.284 10 30 EEEELO Cc1nsc(NC(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)c1C#N ZINC000459580000 245174988 /nfs/dbraw/zinc/17/49/88/245174988.db2.gz JLYLMKAQTPZYMZ-CYBMUJFWSA-N 1 2 349.460 2.042 10 30 EEEELO C=CCOc1ccc(C[N@H+]2CC[C@H](NS(C)(=O)=O)C2)cc1Cl ZINC000093530776 218228587 /nfs/dbraw/zinc/22/85/87/218228587.db2.gz MXCGJRBNFLWKTN-ZDUSSCGKSA-N 1 2 344.864 2.028 10 30 EEEELO C=CCOc1ccc(C[N@@H+]2CC[C@H](NS(C)(=O)=O)C2)cc1Cl ZINC000093530776 218228588 /nfs/dbraw/zinc/22/85/88/218228588.db2.gz MXCGJRBNFLWKTN-ZDUSSCGKSA-N 1 2 344.864 2.028 10 30 EEEELO N#Cc1ccc(NC(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)cc1 ZINC000109847247 159354817 /nfs/dbraw/zinc/35/48/17/159354817.db2.gz RFTLUIZPSQVDGH-QGZVFWFLSA-N 1 2 328.416 2.277 10 30 EEEELO C[C@H]1C[N@@H+]([C@H](CNC(=O)c2cc(C#N)c[nH]2)c2cccs2)CCO1 ZINC000246641678 160288290 /nfs/dbraw/zinc/28/82/90/160288290.db2.gz BLZOEGPSJZXXIZ-SWLSCSKDSA-N 1 2 344.440 2.140 10 30 EEEELO C[C@H]1C[N@H+]([C@H](CNC(=O)c2cc(C#N)c[nH]2)c2cccs2)CCO1 ZINC000246641678 160288291 /nfs/dbraw/zinc/28/82/91/160288291.db2.gz BLZOEGPSJZXXIZ-SWLSCSKDSA-N 1 2 344.440 2.140 10 30 EEEELO C[C@H](C(=O)N(C)c1ccccc1)[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000247965787 160334725 /nfs/dbraw/zinc/33/47/25/160334725.db2.gz SDFAXHIQYLDNQX-MRXNPFEDSA-N 1 2 349.438 2.127 10 30 EEEELO N#Cc1ccc(-c2nnc(C[NH2+][C@H](CO)c3ccsc3)o2)cc1 ZINC000352023313 162033180 /nfs/dbraw/zinc/03/31/80/162033180.db2.gz WLJBLSVLSOPFRD-CQSZACIVSA-N 1 2 326.381 2.493 10 30 EEEELO CS(=O)(=O)c1ccc(C[NH2+]Cc2nc(C#N)cs2)cc1Cl ZINC000352888517 162332761 /nfs/dbraw/zinc/33/27/61/162332761.db2.gz HWRHGVIVVHADRU-UHFFFAOYSA-N 1 2 341.845 2.361 10 30 EEEELO N#Cc1cccc(NC(=O)C[N@@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)c1 ZINC000375467566 167140447 /nfs/dbraw/zinc/14/04/47/167140447.db2.gz YKTXYADUFSNUAA-CQSZACIVSA-N 1 2 337.383 2.247 10 30 EEEELO N#Cc1cccc(NC(=O)C[N@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)c1 ZINC000375467566 167140449 /nfs/dbraw/zinc/14/04/49/167140449.db2.gz YKTXYADUFSNUAA-CQSZACIVSA-N 1 2 337.383 2.247 10 30 EEEELO C[C@@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)CCC1=O ZINC000299415766 267048144 /nfs/dbraw/zinc/04/81/44/267048144.db2.gz UALZEMCBDGJLCM-LLVKDONJSA-N 1 2 331.441 2.348 10 30 EEEELO C[C@@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)CCC1=O ZINC000299415766 267048147 /nfs/dbraw/zinc/04/81/47/267048147.db2.gz UALZEMCBDGJLCM-LLVKDONJSA-N 1 2 331.441 2.348 10 30 EEEELO N#Cc1ccc(CNC(=O)NCc2[nH+]ccn2CC(F)(F)F)cc1 ZINC000341235685 268071390 /nfs/dbraw/zinc/07/13/90/268071390.db2.gz GFYPAFZCOVHSSU-UHFFFAOYSA-N 1 2 337.305 2.316 10 30 EEEELO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000547984078 318341009 /nfs/dbraw/zinc/34/10/09/318341009.db2.gz SGKJMUPGBJKCOI-MAUKXSAKSA-N 1 2 338.411 2.289 10 30 EEEELO C[C@H]1C[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C[C@@]2(CCCOC2)O1 ZINC000565050509 319144105 /nfs/dbraw/zinc/14/41/05/319144105.db2.gz DNDLJUPKTSVVOY-SUMWQHHRSA-N 1 2 331.372 2.236 10 30 EEEELO C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C[C@@]2(CCCOC2)O1 ZINC000565050509 319144108 /nfs/dbraw/zinc/14/41/08/319144108.db2.gz DNDLJUPKTSVVOY-SUMWQHHRSA-N 1 2 331.372 2.236 10 30 EEEELO Cc1cn2c([nH+]1)C[C@H](C(=O)Nc1n[nH]c3cc(C#N)c(C)cc31)CC2 ZINC000600082404 449179023 /nfs/dbraw/zinc/17/90/23/449179023.db2.gz BHUVRISPSGGTBV-GFCCVEGCSA-N 1 2 334.383 2.449 10 30 EEEELO N#Cc1cccc(-c2cc(C(=O)N[C@@H]3CCc4[nH+]c[nH]c4C3)on2)c1 ZINC000358424820 465114840 /nfs/dbraw/zinc/11/48/40/465114840.db2.gz QHTGOFWLHNOWKT-CYBMUJFWSA-N 1 2 333.351 2.224 10 30 EEEELO N#Cc1cccc(-c2cc(C(=O)N[C@@H]3CCc4[nH]c[nH+]c4C3)on2)c1 ZINC000358424820 465114841 /nfs/dbraw/zinc/11/48/41/465114841.db2.gz QHTGOFWLHNOWKT-CYBMUJFWSA-N 1 2 333.351 2.224 10 30 EEEELO CCc1cnccc1[C@H](C)NC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000328852965 465148028 /nfs/dbraw/zinc/14/80/28/465148028.db2.gz BVYSESJFQXPOOR-JQFCIGGWSA-N 1 2 332.448 2.024 10 30 EEEELO CCc1cnccc1[C@H](C)NC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000328852965 465148035 /nfs/dbraw/zinc/14/80/35/465148035.db2.gz BVYSESJFQXPOOR-JQFCIGGWSA-N 1 2 332.448 2.024 10 30 EEEELO C=CCN1CC[C@H]([NH2+][C@@H](C)c2nc(C)c(C(=O)OCC)s2)C1=O ZINC000337186202 465233026 /nfs/dbraw/zinc/23/30/26/465233026.db2.gz DBOFUJHCXYIAJB-RYUDHWBXSA-N 1 2 337.445 2.066 10 30 EEEELO C[C@H](C(=O)NC1CCC(C)CC1)[N@@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000329186785 465261267 /nfs/dbraw/zinc/26/12/67/465261267.db2.gz PYAHXGINDBKKEK-OYNNJRIESA-N 1 2 328.478 2.029 10 30 EEEELO C[C@H](C(=O)NC1CCC(C)CC1)[N@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000329186785 465261272 /nfs/dbraw/zinc/26/12/72/465261272.db2.gz PYAHXGINDBKKEK-OYNNJRIESA-N 1 2 328.478 2.029 10 30 EEEELO N#CCCN(CC[NH+]1CCOCC1)Cc1cc(-c2ccccc2)n[nH]1 ZINC000154748194 462804086 /nfs/dbraw/zinc/80/40/86/462804086.db2.gz OJYIWIFMPIKOFP-UHFFFAOYSA-N 1 2 339.443 2.125 10 30 EEEELO CC(C)Cc1noc(C[N@@H+]2CCCN(c3ncccc3C#N)CC2)n1 ZINC000058438571 463599226 /nfs/dbraw/zinc/59/92/26/463599226.db2.gz XMYUPEMWRGNZHD-UHFFFAOYSA-N 1 2 340.431 2.247 10 30 EEEELO CC(C)Cc1noc(C[N@H+]2CCCN(c3ncccc3C#N)CC2)n1 ZINC000058438571 463599235 /nfs/dbraw/zinc/59/92/35/463599235.db2.gz XMYUPEMWRGNZHD-UHFFFAOYSA-N 1 2 340.431 2.247 10 30 EEEELO Cc1cc(NCCCc2[nH]nc(N)c2C#N)nc(-c2ccncc2)[nH+]1 ZINC000112073011 463690166 /nfs/dbraw/zinc/69/01/66/463690166.db2.gz FYPZEDPSVVJDAB-UHFFFAOYSA-N 1 2 334.387 2.069 10 30 EEEELO N#Cc1ccc(N2CC[C@H]([NH+]3CCC(c4ccn[nH]4)CC3)C2=O)cc1 ZINC000171639784 463897557 /nfs/dbraw/zinc/89/75/57/463897557.db2.gz PJXAHSNPDSIHBX-SFHVURJKSA-N 1 2 335.411 2.266 10 30 EEEELO C=CCCCNC(=O)C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000280615843 464222479 /nfs/dbraw/zinc/22/24/79/464222479.db2.gz ZKYPZZMSHJWENE-OAHLLOKOSA-N 1 2 345.443 2.101 10 30 EEEELO C=CCN1CC[C@H]([N@@H+](C)CC(=O)Nc2c(CC)cccc2CC)C1=O ZINC000281437265 464455307 /nfs/dbraw/zinc/45/53/07/464455307.db2.gz SYFGHKDDLCLPFR-KRWDZBQOSA-N 1 2 343.471 2.469 10 30 EEEELO C=CCN1CC[C@H]([N@H+](C)CC(=O)Nc2c(CC)cccc2CC)C1=O ZINC000281437265 464455310 /nfs/dbraw/zinc/45/53/10/464455310.db2.gz SYFGHKDDLCLPFR-KRWDZBQOSA-N 1 2 343.471 2.469 10 30 EEEELO N#CC1CCC(CNc2cc(N3CCC[C@@H](CO)C3)nc[nH+]2)CC1 ZINC000281748963 464570431 /nfs/dbraw/zinc/57/04/31/464570431.db2.gz XRUYKIGFUBMWNI-UYSNPLJNSA-N 1 2 329.448 2.427 10 30 EEEELO N#CC1CCC(CNc2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)CC1 ZINC000281748963 464570438 /nfs/dbraw/zinc/57/04/38/464570438.db2.gz XRUYKIGFUBMWNI-UYSNPLJNSA-N 1 2 329.448 2.427 10 30 EEEELO Cn1cc([C@H]2OCC[C@@H]2C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cn1 ZINC000329912030 465472055 /nfs/dbraw/zinc/47/20/55/465472055.db2.gz WRGVVGCVOWEVLO-HLLBOEOZSA-N 1 2 341.415 2.128 10 30 EEEELO Cc1cc(C#N)cc(NC[C@H](c2ccc(F)cc2)[NH+]2CCOCC2)n1 ZINC000339969515 465646195 /nfs/dbraw/zinc/64/61/95/465646195.db2.gz UDPNDXSOXQDYTO-GOSISDBHSA-N 1 2 340.402 2.886 10 30 EEEELO C=CCCC[C@@H](C)NC(=O)C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000339987059 465663136 /nfs/dbraw/zinc/66/31/36/465663136.db2.gz GQSHWZISSKLKHL-GFCCVEGCSA-N 1 2 348.834 2.465 10 30 EEEELO C=CCCn1cc(C[NH2+][C@@H](c2ccccc2)[C@H](C)C(=O)OC)nn1 ZINC000593966056 468446345 /nfs/dbraw/zinc/44/63/45/468446345.db2.gz MDJZGFRRSAEEQC-WMLDXEAASA-N 1 2 328.416 2.494 10 30 EEEELO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCn1nc2ccccn2c1=O ZINC000362436872 465737958 /nfs/dbraw/zinc/73/79/58/465737958.db2.gz HZABJWHJUMYRMS-MSOLQXFVSA-N 1 2 347.422 2.268 10 30 EEEELO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCn1nc2ccccn2c1=O ZINC000362436872 465737963 /nfs/dbraw/zinc/73/79/63/465737963.db2.gz HZABJWHJUMYRMS-MSOLQXFVSA-N 1 2 347.422 2.268 10 30 EEEELO CC(C)Cn1cc[nH+]c1CNC(=O)N1CCC(O)(C(F)(F)F)CC1 ZINC000330711885 465772456 /nfs/dbraw/zinc/77/24/56/465772456.db2.gz VLDDZJFVBKLAGX-UHFFFAOYSA-N 1 2 348.369 2.342 10 30 EEEELO CC(C)(C)n1nnnc1C[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000330920528 465861807 /nfs/dbraw/zinc/86/18/07/465861807.db2.gz PHDIAUFMWDFQFT-UHFFFAOYSA-N 1 2 340.431 2.343 10 30 EEEELO CCc1ccc(C[NH+]2CCN(C(=O)NCC3(C#N)CC3)CC2)s1 ZINC000555718619 468492140 /nfs/dbraw/zinc/49/21/40/468492140.db2.gz CNVXWJFFKVSQDU-UHFFFAOYSA-N 1 2 332.473 2.441 10 30 EEEELO N#C[C@H](NC(=O)CCc1c[nH+]c[nH]1)c1ccc(Br)cc1 ZINC000354300045 466455889 /nfs/dbraw/zinc/45/58/89/466455889.db2.gz JQWDATYGUFQCSN-ZDUSSCGKSA-N 1 2 333.189 2.486 10 30 EEEELO N#C[C@H](NC(=O)CCc1c[nH]c[nH+]1)c1ccc(Br)cc1 ZINC000354300045 466455894 /nfs/dbraw/zinc/45/58/94/466455894.db2.gz JQWDATYGUFQCSN-ZDUSSCGKSA-N 1 2 333.189 2.486 10 30 EEEELO C[C@H](C#N)Oc1ccccc1NC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000377746022 467131412 /nfs/dbraw/zinc/13/14/12/467131412.db2.gz NUNFBPAZHIORMU-NEPJUHHUSA-N 1 2 325.372 2.380 10 30 EEEELO C[C@H](C#N)Oc1ccccc1NC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000377746022 467131413 /nfs/dbraw/zinc/13/14/13/467131413.db2.gz NUNFBPAZHIORMU-NEPJUHHUSA-N 1 2 325.372 2.380 10 30 EEEELO CC(C)O[C@H]1CCC[N@H+](CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000404681400 467475980 /nfs/dbraw/zinc/47/59/80/467475980.db2.gz CSOQEULRFUOBAV-INIZCTEOSA-N 1 2 336.457 2.221 10 30 EEEELO CC(C)O[C@H]1CCC[N@@H+](CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000404681400 467475984 /nfs/dbraw/zinc/47/59/84/467475984.db2.gz CSOQEULRFUOBAV-INIZCTEOSA-N 1 2 336.457 2.221 10 30 EEEELO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CC[C@@H](C)[C@@H](O)C1 ZINC000408090315 467508044 /nfs/dbraw/zinc/50/80/44/467508044.db2.gz LSTMSLWBGPJLSF-SUNKGSAMSA-N 1 2 333.457 2.138 10 30 EEEELO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CC[C@@H](C)[C@@H](O)C1 ZINC000408090315 467508047 /nfs/dbraw/zinc/50/80/47/467508047.db2.gz LSTMSLWBGPJLSF-SUNKGSAMSA-N 1 2 333.457 2.138 10 30 EEEELO C=C(C)C[C@@H](C)C(=O)N1CC[N@H+](C)[C@@H](CNC(=O)[C@@H](C)CC(=C)C)C1 ZINC000578660335 468235820 /nfs/dbraw/zinc/23/58/20/468235820.db2.gz COHDMEMPGUKTED-KSZLIROESA-N 1 2 349.519 2.450 10 30 EEEELO C=C(C)C[C@@H](C)C(=O)N1CC[N@@H+](C)[C@@H](CNC(=O)[C@@H](C)CC(=C)C)C1 ZINC000578660335 468235828 /nfs/dbraw/zinc/23/58/28/468235828.db2.gz COHDMEMPGUKTED-KSZLIROESA-N 1 2 349.519 2.450 10 30 EEEELO C[C@@H]1CCCN(C(=O)C2CC[NH+](Cc3ccncc3C#N)CC2)C1 ZINC000592060369 468609187 /nfs/dbraw/zinc/60/91/87/468609187.db2.gz KYLUICRMPZAGJY-OAHLLOKOSA-N 1 2 326.444 2.424 10 30 EEEELO C[C@@H](O)[C@H]1CCN(c2cc(N3Cc4ccc(C#N)cc4C3)nc[nH+]2)C1 ZINC000594603626 468633038 /nfs/dbraw/zinc/63/30/38/468633038.db2.gz MHWAVOKYLRIXDH-HIFRSBDPSA-N 1 2 335.411 2.076 10 30 EEEELO C[C@@H](O)[C@H]1CCN(c2cc(N3Cc4ccc(C#N)cc4C3)[nH+]cn2)C1 ZINC000594603626 468633041 /nfs/dbraw/zinc/63/30/41/468633041.db2.gz MHWAVOKYLRIXDH-HIFRSBDPSA-N 1 2 335.411 2.076 10 30 EEEELO C=CCN(CCc1ccco1)C(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000583603555 468720972 /nfs/dbraw/zinc/72/09/72/468720972.db2.gz ZNDOXVIHWRATQJ-UHFFFAOYSA-N 1 2 338.367 2.123 10 30 EEEELO Cc1nc(N2CC[NH+](CCc3cnccn3)CC2)c(Cl)cc1C#N ZINC000601253264 468798352 /nfs/dbraw/zinc/79/83/52/468798352.db2.gz IFWHTQCFABTOHU-UHFFFAOYSA-N 1 2 342.834 2.070 10 30 EEEELO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2Cc3cccc(C#N)c3C2)cc1 ZINC000593122184 468878652 /nfs/dbraw/zinc/87/86/52/468878652.db2.gz DGFKUPOWHBWCTN-SFHVURJKSA-N 1 2 333.391 2.380 10 30 EEEELO N#CCc1ccc(OC[C@@H](O)C[N@H+]2Cc3cccc(C#N)c3C2)cc1 ZINC000593122184 468878656 /nfs/dbraw/zinc/87/86/56/468878656.db2.gz DGFKUPOWHBWCTN-SFHVURJKSA-N 1 2 333.391 2.380 10 30 EEEELO COc1ccccc1COC[C@H](O)C[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000593126072 468880147 /nfs/dbraw/zinc/88/01/47/468880147.db2.gz QYVQWDAOIXLZCG-GOSISDBHSA-N 1 2 338.407 2.460 10 30 EEEELO COc1ccccc1COC[C@H](O)C[N@H+]1Cc2cccc(C#N)c2C1 ZINC000593126072 468880150 /nfs/dbraw/zinc/88/01/50/468880150.db2.gz QYVQWDAOIXLZCG-GOSISDBHSA-N 1 2 338.407 2.460 10 30 EEEELO N#CC1(CNC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CCCCC1 ZINC000595570027 468906102 /nfs/dbraw/zinc/90/61/02/468906102.db2.gz JJOVCJINOSKFKI-OAHLLOKOSA-N 1 2 327.432 2.434 10 30 EEEELO N#Cc1cccc2c1CN(C(=O)N[C@H]1CCN(c3cccc[nH+]3)C1)C2 ZINC000593384713 468958900 /nfs/dbraw/zinc/95/89/00/468958900.db2.gz KBTJYFAUXHACAE-INIZCTEOSA-N 1 2 333.395 2.257 10 30 EEEELO CN(Cc1ccc(OC(F)F)cc1)C(=O)C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595833582 469032181 /nfs/dbraw/zinc/03/21/81/469032181.db2.gz DQDNJZLOTNHZMV-KRWDZBQOSA-N 1 2 337.370 2.482 10 30 EEEELO CN(Cc1ccc(OC(F)F)cc1)C(=O)C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595833582 469032186 /nfs/dbraw/zinc/03/21/86/469032186.db2.gz DQDNJZLOTNHZMV-KRWDZBQOSA-N 1 2 337.370 2.482 10 30 EEEELO COc1cc(C#N)ccc1C[N@@H+]1CCOC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000585800813 469039094 /nfs/dbraw/zinc/03/90/94/469039094.db2.gz MYRGOQITHAGZJG-RCCFBDPRSA-N 1 2 330.428 2.319 10 30 EEEELO COc1cc(C#N)ccc1C[N@H+]1CCOC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000585800813 469039096 /nfs/dbraw/zinc/03/90/96/469039096.db2.gz MYRGOQITHAGZJG-RCCFBDPRSA-N 1 2 330.428 2.319 10 30 EEEELO CN1c2ccccc2C[N@H+](CCC(=O)Nc2ccc(C#N)cc2)CC1=O ZINC000598948694 469062670 /nfs/dbraw/zinc/06/26/70/469062670.db2.gz SSLXGWLSIFPGRH-UHFFFAOYSA-N 1 2 348.406 2.365 10 30 EEEELO CN1c2ccccc2C[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)CC1=O ZINC000598948694 469062675 /nfs/dbraw/zinc/06/26/75/469062675.db2.gz SSLXGWLSIFPGRH-UHFFFAOYSA-N 1 2 348.406 2.365 10 30 EEEELO CC(C)(C#N)CCC[N@@H+]1CCc2sc(S(N)(=O)=O)cc2C1 ZINC000595885605 469063193 /nfs/dbraw/zinc/06/31/93/469063193.db2.gz QFMAOTLAAHVMGQ-UHFFFAOYSA-N 1 2 327.475 2.084 10 30 EEEELO CC(C)(C#N)CCC[N@H+]1CCc2sc(S(N)(=O)=O)cc2C1 ZINC000595885605 469063200 /nfs/dbraw/zinc/06/32/00/469063200.db2.gz QFMAOTLAAHVMGQ-UHFFFAOYSA-N 1 2 327.475 2.084 10 30 EEEELO N#Cc1cc(Br)ccc1CC(=O)N1CCn2c[nH+]cc2C1 ZINC000593715768 469106046 /nfs/dbraw/zinc/10/60/46/469106046.db2.gz LZVGQKXYDOVKGQ-UHFFFAOYSA-N 1 2 345.200 2.102 10 30 EEEELO C[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)Cc1cccc(O)c1 ZINC000611089650 469157725 /nfs/dbraw/zinc/15/77/25/469157725.db2.gz YGCJNDJIPBAIKM-UHFFFAOYSA-N 1 2 330.409 2.170 10 30 EEEELO C[N@@H+](CCS(=O)(=O)c1cccc(C#N)c1)Cc1cccc(O)c1 ZINC000611089650 469157731 /nfs/dbraw/zinc/15/77/31/469157731.db2.gz YGCJNDJIPBAIKM-UHFFFAOYSA-N 1 2 330.409 2.170 10 30 EEEELO Cc1onc(CC(=O)N[C@H](Cc2ccccc2)c2[nH+]ccn2C)c1C#N ZINC000593839710 469160000 /nfs/dbraw/zinc/16/00/00/469160000.db2.gz WVCJYIJORWWIKC-QGZVFWFLSA-N 1 2 349.394 2.231 10 30 EEEELO C=CCCCNC(=O)NC[C@@H](c1cccs1)[NH+]1CCN(C)CC1 ZINC000563859387 469246535 /nfs/dbraw/zinc/24/65/35/469246535.db2.gz FNYYZNWPOMSDFU-HNNXBMFYSA-N 1 2 336.505 2.302 10 30 EEEELO N#CCc1ccc(CNC(=O)N2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000564205762 469251424 /nfs/dbraw/zinc/25/14/24/469251424.db2.gz PZPSZDMGLWWWAS-UHFFFAOYSA-N 1 2 349.438 2.175 10 30 EEEELO N#CC1(C[C@@H](O)C[N@@H+]2CCOC[C@H]2c2cccc(F)c2)CCOCC1 ZINC000599466840 469267024 /nfs/dbraw/zinc/26/70/24/469267024.db2.gz CQRNHADPVCOYLV-MSOLQXFVSA-N 1 2 348.418 2.270 10 30 EEEELO N#CC1(C[C@@H](O)C[N@H+]2CCOC[C@H]2c2cccc(F)c2)CCOCC1 ZINC000599466840 469267029 /nfs/dbraw/zinc/26/70/29/469267029.db2.gz CQRNHADPVCOYLV-MSOLQXFVSA-N 1 2 348.418 2.270 10 30 EEEELO N#Cc1cc(C[NH+]2CCN([C@H](C#N)c3ccc(F)cc3)CC2)ccn1 ZINC000611551179 469277586 /nfs/dbraw/zinc/27/75/86/469277586.db2.gz ODAPVZTVRZLWIP-LJQANCHMSA-N 1 2 335.386 2.475 10 30 EEEELO Cc1cc(CNS(=O)(=O)Cc2ccc(CC#N)cc2)cc(C)[nH+]1 ZINC000574687759 469278539 /nfs/dbraw/zinc/27/85/39/469278539.db2.gz BJGIQVQJQZYZEY-UHFFFAOYSA-N 1 2 329.425 2.384 10 30 EEEELO Cc1cn2c([nH+]1)CN(C(=O)[C@@H]1CCCN1c1ccc(C#N)cc1)CC2 ZINC000611892969 469341888 /nfs/dbraw/zinc/34/18/88/469341888.db2.gz IOVRKIVVMCHKSI-KRWDZBQOSA-N 1 2 335.411 2.074 10 30 EEEELO C[N@@H+]1CCOC[C@H]1CNC(=O)c1ccc(C#Cc2ccccc2)cc1 ZINC000628924045 469388424 /nfs/dbraw/zinc/38/84/24/469388424.db2.gz BQZQYFNLBQJPKU-HXUWFJFHSA-N 1 2 334.419 2.147 10 30 EEEELO C[N@H+]1CCOC[C@H]1CNC(=O)c1ccc(C#Cc2ccccc2)cc1 ZINC000628924045 469388431 /nfs/dbraw/zinc/38/84/31/469388431.db2.gz BQZQYFNLBQJPKU-HXUWFJFHSA-N 1 2 334.419 2.147 10 30 EEEELO C=C[C@H](O)C(=O)N(CC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000669059362 471366414 /nfs/dbraw/zinc/36/64/14/471366414.db2.gz QWLKPGJMCWTJEA-INIZCTEOSA-N 1 2 346.475 2.273 10 30 EEEELO C=CCCCCCNC(=O)C(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000656324068 471681488 /nfs/dbraw/zinc/68/14/88/471681488.db2.gz KEAQSCJNOJALAI-QGZVFWFLSA-N 1 2 329.444 2.152 10 30 EEEELO C=CCCCCCNC(=O)C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000656324068 471681494 /nfs/dbraw/zinc/68/14/94/471681494.db2.gz KEAQSCJNOJALAI-QGZVFWFLSA-N 1 2 329.444 2.152 10 30 EEEELO C=CC[C@@H]1CCCC[C@H]1NC(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000665394817 472032822 /nfs/dbraw/zinc/03/28/22/472032822.db2.gz VFFRQMCUSGTZBZ-QZTJIDSGSA-N 1 2 345.491 2.382 10 30 EEEELO Cc1nc(N2CCN(C(=O)Nc3ccc(F)c(C#N)c3)CC2)cc[nH+]1 ZINC000183998550 534754795 /nfs/dbraw/zinc/75/47/95/534754795.db2.gz NVVSHCUPZPZVSO-UHFFFAOYSA-N 1 2 340.362 2.150 10 30 EEEELO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](C)C(=O)NC[C@H]1CCCO1 ZINC000411187040 526350188 /nfs/dbraw/zinc/35/01/88/526350188.db2.gz ARIYVRVBLDPIKA-RHSMWYFYSA-N 1 2 347.415 2.267 10 30 EEEELO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](C)C(=O)NC[C@H]1CCCO1 ZINC000411187040 526350191 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Cc1ccc(CNC(=O)NCCc2cn3c([nH+]2)CCCC3)cc1C#N ZINC000914168529 683330515 /nfs/dbraw/zinc/33/05/15/683330515.db2.gz MWAITNRSPVZZPO-UHFFFAOYSA-N 1 2 337.427 2.441 10 30 EEEELO C=C(Cl)C[C@@H]([NH2+][C@@H]1CCOC2(CCOCC2)C1)C(=O)OCC ZINC000895417583 684593818 /nfs/dbraw/zinc/59/38/18/684593818.db2.gz CNWPCCUNBQXWCR-ZIAGYGMSSA-N 1 2 331.840 2.379 10 30 EEEELO C#CCC1([NH2+]Cc2ncc(Br)cc2O)CCOCC1 ZINC000896069225 684824033 /nfs/dbraw/zinc/82/40/33/684824033.db2.gz CDLKPQNIMORXAL-UHFFFAOYSA-N 1 2 325.206 2.212 10 30 EEEELO C=CCOC(=O)[C@@H]([NH3+])Cc1nc([C@H](C)c2c(F)cccc2F)no1 ZINC000904094633 694296397 /nfs/dbraw/zinc/29/63/97/694296397.db2.gz QEUCYJJQXLFFOD-SKDRFNHKSA-N 1 2 337.326 2.099 10 30 EEEELO CC#CCCCC(=O)N[C@@H](C)C1C[NH+](Cc2cc3n(n2)CCCC3)C1 ZINC001485518592 1191823385 /nfs/dbraw/zinc/82/33/85/1191823385.db2.gz NWTGCLDWDLRERQ-INIZCTEOSA-N 1 2 342.487 2.350 10 30 EEEELO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)CCCC3CCOCC3)C2)C1 ZINC001485557025 1191835025 /nfs/dbraw/zinc/83/50/25/1191835025.db2.gz 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C#Cc1cccc(NC(=O)C[N@@H+](CC)CCNC(=O)C2CC(C)C2)c1 ZINC001480968851 1179397554 /nfs/dbraw/zinc/39/75/54/1179397554.db2.gz BLMWACAZMZZYQB-UHFFFAOYSA-N 1 2 341.455 2.091 10 30 EEEELO C=CCC(C)(C)C(=O)N(C)CC[NH+]1CCN(CC(=C)Cl)CC1 ZINC001267576475 1179488957 /nfs/dbraw/zinc/48/89/57/1179488957.db2.gz YSAKZGSFDVNKET-UHFFFAOYSA-N 1 2 327.900 2.417 10 30 EEEELO C#CCCCCC(=O)NC[C@H]1CC[N@@H+](Cc2ncnn2C(C)(C)C)C1 ZINC001481088966 1179713286 /nfs/dbraw/zinc/71/32/86/1179713286.db2.gz KUTJFSUSOGQHIR-MRXNPFEDSA-N 1 2 345.491 2.165 10 30 EEEELO C#CCCCCC(=O)NC[C@H]1CC[N@H+](Cc2ncnn2C(C)(C)C)C1 ZINC001481088966 1179713292 /nfs/dbraw/zinc/71/32/92/1179713292.db2.gz KUTJFSUSOGQHIR-MRXNPFEDSA-N 1 2 345.491 2.165 10 30 EEEELO C=C(C)C(C)(C)C(=O)N[C@@H]1CCC[N@@H+](CC(=O)N(C)CC2CC2)C1 ZINC001267616351 1179868255 /nfs/dbraw/zinc/86/82/55/1179868255.db2.gz ITMWKEJJIVMBEJ-MRXNPFEDSA-N 1 2 335.492 2.038 10 30 EEEELO C=C(C)C(C)(C)C(=O)N[C@@H]1CCC[N@H+](CC(=O)N(C)CC2CC2)C1 ZINC001267616351 1179868268 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ZINC001481532634 1181660883 /nfs/dbraw/zinc/66/08/83/1181660883.db2.gz OBQAQNGEORHQGB-KRWDZBQOSA-N 1 2 335.492 2.372 10 30 EEEELO C=CCCC(=O)N[C@H]1CCC[N@@H+](CC(=O)NC2CCCCCC2)C1 ZINC001481532634 1181660885 /nfs/dbraw/zinc/66/08/85/1181660885.db2.gz OBQAQNGEORHQGB-KRWDZBQOSA-N 1 2 335.492 2.372 10 30 EEEELO CC[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC#CCOC)c1ccc(F)cc1 ZINC001481684611 1182204404 /nfs/dbraw/zinc/20/44/04/1182204404.db2.gz SHIIQUKWKDNRFU-FHWLQOOXSA-N 1 2 344.430 2.254 10 30 EEEELO CC[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC#CCOC)c1ccc(F)cc1 ZINC001481684611 1182204410 /nfs/dbraw/zinc/20/44/10/1182204410.db2.gz SHIIQUKWKDNRFU-FHWLQOOXSA-N 1 2 344.430 2.254 10 30 EEEELO C=C[C@@](C)(O)CC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccnc(Cl)c2)C1 ZINC001481724431 1182380830 /nfs/dbraw/zinc/38/08/30/1182380830.db2.gz LHXOYPUYEVJFPA-RHSMWYFYSA-N 1 2 337.851 2.095 10 30 EEEELO C=C[C@@](C)(O)CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccnc(Cl)c2)C1 ZINC001481724431 1182380836 /nfs/dbraw/zinc/38/08/36/1182380836.db2.gz 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333.480 2.371 10 30 EEEELO C=CC(C)(C)CC(=O)N[C@H]1CCC[N@H+](Cc2cnn(CC)n2)CC1 ZINC001484715288 1191479558 /nfs/dbraw/zinc/47/95/58/1191479558.db2.gz MMNISORXFSKMFO-HNNXBMFYSA-N 1 2 333.480 2.371 10 30 EEEELO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)CC1(C(F)(F)F)CC1)O2 ZINC001484784337 1191519798 /nfs/dbraw/zinc/51/97/98/1191519798.db2.gz YLZGRWVWCSCRMM-GFCCVEGCSA-N 1 2 332.366 2.255 10 30 EEEELO C[C@H]([NH2+]Cc1cnsn1)c1ccc(CNC(=O)C#CC2CC2)cc1 ZINC001272691003 1191550159 /nfs/dbraw/zinc/55/01/59/1191550159.db2.gz GTHRNRBQQFTQIU-ZDUSSCGKSA-N 1 2 340.452 2.419 10 30 EEEELO C=C1CCC(C(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc2nnn(C(C)(C)C)n2)CC1 ZINC001485190559 1191686248 /nfs/dbraw/zinc/68/62/48/1191686248.db2.gz QPWVTBKLCQXKNF-KGLIPLIRSA-N 1 2 348.495 2.157 10 30 EEEELO C#Cc1cccc(NC(=O)C[N@@H+](C)[C@H](C)CNC(=O)CCC(=C)C)c1 ZINC001485310574 1191728492 /nfs/dbraw/zinc/72/84/92/1191728492.db2.gz UWBWFCBLLBYJRI-MRXNPFEDSA-N 1 2 341.455 2.399 10 30 EEEELO C#Cc1cccc(NC(=O)C[N@H+](C)[C@H](C)CNC(=O)CCC(=C)C)c1 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335.492 2.134 10 30 EEEELO C#CCO[C@H](C)C(=O)N[C@H]1CC[N@H+](Cc2c(F)cccc2F)[C@@H]1C ZINC001264699849 1322788027 /nfs/dbraw/zinc/78/80/27/1322788027.db2.gz IVHYDDZCFSXBJN-XNJGSVPQSA-N 1 2 336.382 2.082 10 30 EEEELO C#CCO[C@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2c(F)cccc2F)[C@@H]1C ZINC001264699849 1322788028 /nfs/dbraw/zinc/78/80/28/1322788028.db2.gz IVHYDDZCFSXBJN-XNJGSVPQSA-N 1 2 336.382 2.082 10 30 EEEELO C=CCCOCC(=O)N[C@H]1CC[N@H+](Cc2noc3c2CCCC3)[C@@H]1C ZINC001264734802 1322795526 /nfs/dbraw/zinc/79/55/26/1322795526.db2.gz FDELLKFEDULALS-ZBFHGGJFSA-N 1 2 347.459 2.225 10 30 EEEELO C=CCCOCC(=O)N[C@H]1CC[N@@H+](Cc2noc3c2CCCC3)[C@@H]1C ZINC001264734802 1322795531 /nfs/dbraw/zinc/79/55/31/1322795531.db2.gz FDELLKFEDULALS-ZBFHGGJFSA-N 1 2 347.459 2.225 10 30 EEEELO C[N@H+](CCCNC(=O)c1c[nH]c(C#N)c1)Cc1ncc(Cl)s1 ZINC001264978124 1322828914 /nfs/dbraw/zinc/82/89/14/1322828914.db2.gz CMKALLWOAMOLQK-UHFFFAOYSA-N 1 2 337.836 2.248 10 30 EEEELO C[N@@H+](CCCNC(=O)c1c[nH]c(C#N)c1)Cc1ncc(Cl)s1 ZINC001264978124 1322828919 /nfs/dbraw/zinc/82/89/19/1322828919.db2.gz CMKALLWOAMOLQK-UHFFFAOYSA-N 1 2 337.836 2.248 10 30 EEEELO C=CCOCC[N@H+]1CCC[C@@H](NC(=O)c2cccc3nc(C)[nH]c32)C1 ZINC001265228938 1322998015 /nfs/dbraw/zinc/99/80/15/1322998015.db2.gz MLWVHMKGXGYYAK-OAHLLOKOSA-N 1 2 342.443 2.268 10 30 EEEELO C=CCOCC[N@@H+]1CCC[C@@H](NC(=O)c2cccc3nc(C)[nH]c32)C1 ZINC001265228938 1322998018 /nfs/dbraw/zinc/99/80/18/1322998018.db2.gz MLWVHMKGXGYYAK-OAHLLOKOSA-N 1 2 342.443 2.268 10 30 EEEELO C=CCCCC(=O)NCC[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC001265262929 1323018579 /nfs/dbraw/zinc/01/85/79/1323018579.db2.gz NFFRGFOIHQQUCI-UHFFFAOYSA-N 1 2 340.471 2.148 10 30 EEEELO C=C(C)CCC(=O)N[C@@H]1CC[N@@H+]([C@H](C)C(=O)NCc2cccs2)C1 ZINC001265285922 1323036529 /nfs/dbraw/zinc/03/65/29/1323036529.db2.gz KFCBSBLOAPUTBP-HUUCEWRRSA-N 1 2 349.500 2.300 10 30 EEEELO C=C(C)CCC(=O)N[C@@H]1CC[N@H+]([C@H](C)C(=O)NCc2cccs2)C1 ZINC001265285922 1323036534 /nfs/dbraw/zinc/03/65/34/1323036534.db2.gz KFCBSBLOAPUTBP-HUUCEWRRSA-N 1 2 349.500 2.300 10 30 EEEELO CCCN(C(=O)c1ccn2c(C)c[nH+]c2c1)C1CCN(CC#N)CC1 ZINC001265338879 1323085635 /nfs/dbraw/zinc/08/56/35/1323085635.db2.gz OLAUIVTXTYOHHO-UHFFFAOYSA-N 1 2 339.443 2.483 10 30 EEEELO C#CCCCCC(=O)NC[C@H]1CCC[N@H+](Cc2nc(C3CC3)no2)C1 ZINC001265580278 1323235012 /nfs/dbraw/zinc/23/50/12/1323235012.db2.gz UJKMVUYXKUTGIB-OAHLLOKOSA-N 1 2 344.459 2.469 10 30 EEEELO C#CCCCCC(=O)NC[C@H]1CCC[N@@H+](Cc2nc(C3CC3)no2)C1 ZINC001265580278 1323235018 /nfs/dbraw/zinc/23/50/18/1323235018.db2.gz UJKMVUYXKUTGIB-OAHLLOKOSA-N 1 2 344.459 2.469 10 30 EEEELO CC(C)(C)C#CC(=O)NC[C@@H]1CCCC[N@H+]1CC(=O)NCC(C)(C)C ZINC001265645138 1323292506 /nfs/dbraw/zinc/29/25/06/1323292506.db2.gz JXECLJIRAJSHCJ-INIZCTEOSA-N 1 2 349.519 2.169 10 30 EEEELO CC(C)(C)C#CC(=O)NC[C@@H]1CCCC[N@@H+]1CC(=O)NCC(C)(C)C ZINC001265645138 1323292509 /nfs/dbraw/zinc/29/25/09/1323292509.db2.gz JXECLJIRAJSHCJ-INIZCTEOSA-N 1 2 349.519 2.169 10 30 EEEELO C[N@H+](CCCNC(=O)c1cc(C#N)c[nH]1)Cc1ncc(C(C)(C)C)o1 ZINC001265822583 1323401930 /nfs/dbraw/zinc/40/19/30/1323401930.db2.gz WXBRAGQIOQYGAB-UHFFFAOYSA-N 1 2 343.431 2.424 10 30 EEEELO C[N@@H+](CCCNC(=O)c1cc(C#N)c[nH]1)Cc1ncc(C(C)(C)C)o1 ZINC001265822583 1323401937 /nfs/dbraw/zinc/40/19/37/1323401937.db2.gz WXBRAGQIOQYGAB-UHFFFAOYSA-N 1 2 343.431 2.424 10 30 EEEELO C=CC1(CC(=O)NCCC[N@@H+](C)Cc2cn(C)nn2)CCCCC1 ZINC001265937060 1323501564 /nfs/dbraw/zinc/50/15/64/1323501564.db2.gz QOQWOROCBWVDLN-UHFFFAOYSA-N 1 2 333.480 2.280 10 30 EEEELO C=CC1(CC(=O)NCCC[N@H+](C)Cc2cn(C)nn2)CCCCC1 ZINC001265937060 1323501565 /nfs/dbraw/zinc/50/15/65/1323501565.db2.gz QOQWOROCBWVDLN-UHFFFAOYSA-N 1 2 333.480 2.280 10 30 EEEELO C=C[C@@](C)(CCOC)C(=O)N[C@H]1CCC[N@H+](Cc2cnc(C)cn2)C1 ZINC001266230726 1323809879 /nfs/dbraw/zinc/80/98/79/1323809879.db2.gz RIPAQRLAUZSHJY-LPHOPBHVSA-N 1 2 346.475 2.094 10 30 EEEELO C=C[C@@](C)(CCOC)C(=O)N[C@H]1CCC[N@@H+](Cc2cnc(C)cn2)C1 ZINC001266230726 1323809882 /nfs/dbraw/zinc/80/98/82/1323809882.db2.gz RIPAQRLAUZSHJY-LPHOPBHVSA-N 1 2 346.475 2.094 10 30 EEEELO C=CC(C)(C)C(=O)N1CCC[C@H]1CN(C)C(=O)CCCn1cc[nH+]c1 ZINC001279865710 1324018639 /nfs/dbraw/zinc/01/86/39/1324018639.db2.gz GAYREJGWHPPSTR-INIZCTEOSA-N 1 2 346.475 2.325 10 30 EEEELO C#CCCCCC(=O)NC[C@@H]1CCCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001280603763 1324331327 /nfs/dbraw/zinc/33/13/27/1324331327.db2.gz HQKJYLHHLMFDKR-KRWDZBQOSA-N 1 2 344.459 2.033 10 30 EEEELO C=C[C@@H](CC)CC(=O)NC[C@@H]1CCCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001280613766 1324341117 /nfs/dbraw/zinc/34/11/17/1324341117.db2.gz KIVVDEZURAWWMV-HOTGVXAUSA-N 1 2 346.475 2.442 10 30 EEEELO C=CCCCC(=O)N1CC[C@H]([NH+]2CCN(Cc3conc3C)CC2)C1 ZINC001280691995 1324414634 /nfs/dbraw/zinc/41/46/34/1324414634.db2.gz MZNBNPHPQTWHRY-SFHVURJKSA-N 1 2 346.475 2.058 10 30 EEEELO C=CCC(C)(C)C(=O)N1CC2(C1)CCCN(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC001280741801 1324466116 /nfs/dbraw/zinc/46/61/16/1324466116.db2.gz GWIZVGXRDPBREK-UHFFFAOYSA-N 1 2 344.459 2.006 10 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CC[N@@H+](CC(=O)OC)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000271162683 464285420 /nfs/dbraw/zinc/28/54/20/464285420.db2.gz QYMYXNMXTMFTIF-UHFFFAOYSA-N 1 2 326.400 2.459 10 30 EEEELO N#Cc1c(C[N@H+]2CCOC[C@@H]2[C@@H]2CCC[C@@H]2O)cn2ccccc12 ZINC000284758213 464327120 /nfs/dbraw/zinc/32/71/20/464327120.db2.gz JYTXBCONYHDOCH-IPELMVKDSA-N 1 2 325.412 2.173 10 30 EEEELO N#Cc1c(C[N@@H+]2CCOC[C@@H]2[C@@H]2CCC[C@@H]2O)cn2ccccc12 ZINC000284758213 464327126 /nfs/dbraw/zinc/32/71/26/464327126.db2.gz JYTXBCONYHDOCH-IPELMVKDSA-N 1 2 325.412 2.173 10 30 EEEELO Cc1nsc(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c1C#N ZINC000294294903 464457807 /nfs/dbraw/zinc/45/78/07/464457807.db2.gz UMFABAMPNCPKHS-NSHDSACASA-N 1 2 328.401 2.119 10 30 EEEELO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCN(CC(F)F)[C@H](CC)C1 ZINC000245691762 464507405 /nfs/dbraw/zinc/50/74/05/464507405.db2.gz ANCWKXDWSLMBOH-HUUCEWRRSA-N 1 2 329.435 2.237 10 30 EEEELO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCN(CC(F)F)[C@H](CC)C1 ZINC000245691762 464507409 /nfs/dbraw/zinc/50/74/09/464507409.db2.gz ANCWKXDWSLMBOH-HUUCEWRRSA-N 1 2 329.435 2.237 10 30 EEEELO CCCCC[C@H](C)NC(=O)C[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000248297462 464742329 /nfs/dbraw/zinc/74/23/29/464742329.db2.gz YCULIQKUVTWERW-INIZCTEOSA-N 1 2 343.475 2.160 10 30 EEEELO C=C(C)CN(C)C(=O)[C@@H]1CCC(=O)N(CCC)[C@H]1c1c[nH+]cn1C ZINC000366410641 465709365 /nfs/dbraw/zinc/70/93/65/465709365.db2.gz ZPUBMGGGFALKBX-RHSMWYFYSA-N 1 2 332.448 2.144 10 30 EEEELO O=C(NCc1[nH+]ccn1CC(F)(F)F)NC[C@@H]1CCC[C@@H](O)C1 ZINC000330941117 465866669 /nfs/dbraw/zinc/86/66/69/465866669.db2.gz YJZKDJHPWNZANL-GHMZBOCLSA-N 1 2 334.342 2.000 10 30 EEEELO CCOc1cc(C[NH+]2CC(CC#N)C2)ccc1O[C@H](C)C(=O)N(C)C ZINC000597194557 468477028 /nfs/dbraw/zinc/47/70/28/468477028.db2.gz VKMSQUODYOFDRP-CQSZACIVSA-N 1 2 345.443 2.286 10 30 EEEELO CCOc1cc(C[NH+]2CC(CC#N)C2)ccc1O[C@@H](C)C(=O)N(C)C ZINC000597194556 468477647 /nfs/dbraw/zinc/47/76/47/468477647.db2.gz VKMSQUODYOFDRP-AWEZNQCLSA-N 1 2 345.443 2.286 10 30 EEEELO CC[C@@H](CC#N)[NH2+]CC(=O)NCc1c(C)nn(-c2ccccc2)c1C ZINC000580901190 468484747 /nfs/dbraw/zinc/48/47/47/468484747.db2.gz MIRTWSUXRGPWRG-INIZCTEOSA-N 1 2 339.443 2.387 10 30 EEEELO Cc1cn2c([nH+]1)CN(CC(=O)Nc1cc(Cl)ccc1C#N)CC2 ZINC000363689076 466562159 /nfs/dbraw/zinc/56/21/59/466562159.db2.gz MZIHGIQZIWDWRR-UHFFFAOYSA-N 1 2 329.791 2.171 10 30 EEEELO C[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc(C#N)s2)[C@H]1c1ccccc1 ZINC000373820740 466931506 /nfs/dbraw/zinc/93/15/06/466931506.db2.gz YTHHNSSLJZONBP-GDBMZVCRSA-N 1 2 347.465 2.343 10 30 EEEELO Cc1nn(C)c(C)c1[C@@H]1COCC[N@@H+]1CCOc1ccccc1C#N ZINC000374483477 467058161 /nfs/dbraw/zinc/05/81/61/467058161.db2.gz WBVYJLNPBIKFFN-KRWDZBQOSA-N 1 2 340.427 2.361 10 30 EEEELO Cc1nn(C)c(C)c1[C@@H]1COCC[N@H+]1CCOc1ccccc1C#N ZINC000374483477 467058165 /nfs/dbraw/zinc/05/81/65/467058165.db2.gz WBVYJLNPBIKFFN-KRWDZBQOSA-N 1 2 340.427 2.361 10 30 EEEELO CC(C)(C)N1CC[C@H]([NH+]2CCN(c3ccccc3C#N)CC2)C1=O ZINC000425394821 467093126 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Cc1nc(N(C)C)nc(N2CCC(Oc3cccc(C#N)c3)CC2)[nH+]1 ZINC000488377887 468083690 /nfs/dbraw/zinc/08/36/90/468083690.db2.gz IRMZFJYOGTXNQB-UHFFFAOYSA-N 1 2 338.415 2.166 10 30 EEEELO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000576143514 468160951 /nfs/dbraw/zinc/16/09/51/468160951.db2.gz WXLCSVUFTIIPJX-KSSFIOAISA-N 1 2 343.427 2.303 10 30 EEEELO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000576143514 468160954 /nfs/dbraw/zinc/16/09/54/468160954.db2.gz WXLCSVUFTIIPJX-KSSFIOAISA-N 1 2 343.427 2.303 10 30 EEEELO N#Cc1c(F)cc(CNC(=O)C2CC[NH+](CC(F)F)CC2)cc1F ZINC000590349031 468239270 /nfs/dbraw/zinc/23/92/70/468239270.db2.gz QHPZCQTXNWZJDK-UHFFFAOYSA-N 1 2 343.324 2.430 10 30 EEEELO C[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccccc1-c1ccccc1C#N ZINC000600424451 468553652 /nfs/dbraw/zinc/55/36/52/468553652.db2.gz JDDFDRGLJDVFSN-INIZCTEOSA-N 1 2 335.407 2.286 10 30 EEEELO C[N@H+]1CCOC[C@@H]1CNC(=O)c1ccccc1-c1ccccc1C#N ZINC000600424451 468553658 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N#CCCN(C(=O)C[N@@H+]1CCO[C@@]2(CCSC2)C1)c1ccccc1 ZINC000583628690 468731615 /nfs/dbraw/zinc/73/16/15/468731615.db2.gz PZWRZDFUJRHPQH-SFHVURJKSA-N 1 2 345.468 2.141 10 30 EEEELO N#CCCN(C(=O)C[N@H+]1CCO[C@@]2(CCSC2)C1)c1ccccc1 ZINC000583628690 468731619 /nfs/dbraw/zinc/73/16/19/468731619.db2.gz PZWRZDFUJRHPQH-SFHVURJKSA-N 1 2 345.468 2.141 10 30 EEEELO N#Cc1ccc(CNC(=O)C[N@@H+]2CCOC[C@H]2CC2CCC2)cc1 ZINC000559467219 468744086 /nfs/dbraw/zinc/74/40/86/468744086.db2.gz NEACMFFDNPCQTC-GOSISDBHSA-N 1 2 327.428 2.065 10 30 EEEELO N#Cc1ccc(CNC(=O)C[N@H+]2CCOC[C@H]2CC2CCC2)cc1 ZINC000559467219 468744091 /nfs/dbraw/zinc/74/40/91/468744091.db2.gz NEACMFFDNPCQTC-GOSISDBHSA-N 1 2 327.428 2.065 10 30 EEEELO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@@](C)(C#N)C2)c(OC)c1 ZINC000595835261 469033545 /nfs/dbraw/zinc/03/35/45/469033545.db2.gz PWQKYWJSZSREHB-LPHOPBHVSA-N 1 2 330.428 2.399 10 30 EEEELO C=CCc1ccc(OC[C@@H](O)C[N@H+]2CC[C@@](C)(C#N)C2)c(OC)c1 ZINC000595835261 469033551 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ZINC001691674374 1197471663 /nfs/dbraw/zinc/47/16/63/1197471663.db2.gz DKBHFUIOYNJEDH-GOSISDBHSA-N 1 2 346.446 2.286 10 30 EEEELO CC(C)(C)OC(=O)C[NH+]1CCC(NC(=O)c2cccc(C#N)c2)CC1 ZINC000871541435 1197766507 /nfs/dbraw/zinc/76/65/07/1197766507.db2.gz WVSFLCKKQPSNPI-UHFFFAOYSA-N 1 2 343.427 2.094 10 30 EEEELO C=C(C)CCC(=O)N1CC[C@H]([NH+]2CCN(Cc3cncs3)CC2)C1 ZINC001273374269 1198390569 /nfs/dbraw/zinc/39/05/69/1198390569.db2.gz ITMBHSRRVSEDCK-INIZCTEOSA-N 1 2 348.516 2.218 10 30 EEEELO COCc1nc(C[N@@H+]2CCC[C@H](NC(=O)C#CC3CC3)CC2)cs1 ZINC001273419374 1198760557 /nfs/dbraw/zinc/76/05/57/1198760557.db2.gz UVXYOOVFNYORIH-HNNXBMFYSA-N 1 2 347.484 2.174 10 30 EEEELO COCc1nc(C[N@H+]2CCC[C@H](NC(=O)C#CC3CC3)CC2)cs1 ZINC001273419374 1198760560 /nfs/dbraw/zinc/76/05/60/1198760560.db2.gz UVXYOOVFNYORIH-HNNXBMFYSA-N 1 2 347.484 2.174 10 30 EEEELO C#CCNC(=O)c1ccccc1NC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC000874226267 1198826062 /nfs/dbraw/zinc/82/60/62/1198826062.db2.gz KEAOBOXHGBKRML-KRWDZBQOSA-N 1 2 338.411 2.472 10 30 EEEELO C=CC[C@@H](C(=O)OC)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000877945741 1200176423 /nfs/dbraw/zinc/17/64/23/1200176423.db2.gz IIZXFWOIHPRAIS-HNNXBMFYSA-N 1 2 332.448 2.148 10 30 EEEELO C#CCC1(O)CC[NH+](Cc2cc(OC)ncc2Br)CC1 ZINC000880482310 1201498680 /nfs/dbraw/zinc/49/86/80/1201498680.db2.gz FBVFEKWNGGRPRG-UHFFFAOYSA-N 1 2 339.233 2.203 10 30 EEEELO C=C(Cl)CNC(=O)NC[C@@H]1C[N@H+](Cc2ccc(C)cc2)CCO1 ZINC000868275403 1201780825 /nfs/dbraw/zinc/78/08/25/1201780825.db2.gz QZYCKPQDYPEGFD-MRXNPFEDSA-N 1 2 337.851 2.248 10 30 EEEELO C=C(Cl)CNC(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C)cc2)CCO1 ZINC000868275403 1201780827 /nfs/dbraw/zinc/78/08/27/1201780827.db2.gz QZYCKPQDYPEGFD-MRXNPFEDSA-N 1 2 337.851 2.248 10 30 EEEELO CN(C(=O)CSCC#N)C1C[NH+](Cc2ccccc2C2CC2)C1 ZINC001671098583 1202470300 /nfs/dbraw/zinc/47/03/00/1202470300.db2.gz CAZJYWSHKOYODO-UHFFFAOYSA-N 1 2 329.469 2.463 10 30 EEEELO C#Cc1ccc(C(=O)N[C@H](C)C[NH2+]Cc2nnc(C(C)(C)C)o2)cc1 ZINC001274877671 1205198550 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EEEELO C[C@H]1[C@H](C)[N@@H+](Cc2cncc(C#N)c2)CCN1Cc1cncc(C#N)c1 ZINC000931071730 1206604575 /nfs/dbraw/zinc/60/45/75/1206604575.db2.gz DZEREBJPXNIQCR-HOTGVXAUSA-N 1 2 346.438 2.315 10 30 EEEELO COC(=O)C[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C[C@H]1C ZINC000932104731 1207537743 /nfs/dbraw/zinc/53/77/43/1207537743.db2.gz BGHCHTZFEGOPAR-MPKXVKKWSA-N 1 2 347.415 2.226 10 30 EEEELO COC(=O)C[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C[C@H]1C ZINC000932104731 1207537745 /nfs/dbraw/zinc/53/77/45/1207537745.db2.gz BGHCHTZFEGOPAR-MPKXVKKWSA-N 1 2 347.415 2.226 10 30 EEEELO C=C[C@H](C(=O)OC)[N@@H+]1CC[C@@H](CNC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000932707470 1207661574 /nfs/dbraw/zinc/66/15/74/1207661574.db2.gz KCFZSYGSMXFVFM-HZSPNIEDSA-N 1 2 326.437 2.197 10 30 EEEELO C=C[C@H](C(=O)OC)[N@H+]1CC[C@@H](CNC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000932707470 1207661576 /nfs/dbraw/zinc/66/15/76/1207661576.db2.gz KCFZSYGSMXFVFM-HZSPNIEDSA-N 1 2 326.437 2.197 10 30 EEEELO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CC[C@@H](c3ncccn3)C2)C1=O ZINC001413065449 1230557276 /nfs/dbraw/zinc/55/72/76/1230557276.db2.gz FAPVRTCWOBTGHR-ZIAGYGMSSA-N 1 2 339.424 2.005 10 30 EEEELO N#Cc1ccsc1N1CC[C@@H]([N@H+]2CC[C@@H](c3ncccn3)C2)C1=O ZINC001413065449 1230557279 /nfs/dbraw/zinc/55/72/79/1230557279.db2.gz FAPVRTCWOBTGHR-ZIAGYGMSSA-N 1 2 339.424 2.005 10 30 EEEELO C=C[C@@H](C(=O)OC)[N@@H+]1CC[C@]2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC000802011379 1236671530 /nfs/dbraw/zinc/67/15/30/1236671530.db2.gz OWDAJXIDLDMKSJ-KSSFIOAISA-N 1 2 338.448 2.437 10 30 EEEELO C=C[C@@H](C(=O)OC)[N@H+]1CC[C@]2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC000802011379 1236671532 /nfs/dbraw/zinc/67/15/32/1236671532.db2.gz OWDAJXIDLDMKSJ-KSSFIOAISA-N 1 2 338.448 2.437 10 30 EEEELO C=CCCC(=O)NC[C@H]1CCC[N@@H+]([C@@H](C)c2nc(COC)no2)C1 ZINC001491097051 1258668119 /nfs/dbraw/zinc/66/81/19/1258668119.db2.gz BKSFKGNFWQORTM-UONOGXRCSA-N 1 2 336.436 2.071 10 30 EEEELO C=CCCC(=O)NC[C@H]1CCC[N@H+]([C@@H](C)c2nc(COC)no2)C1 ZINC001491097051 1258668125 /nfs/dbraw/zinc/66/81/25/1258668125.db2.gz BKSFKGNFWQORTM-UONOGXRCSA-N 1 2 336.436 2.071 10 30 EEEELO C=CC(C)(C)CC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](Cc2nnc(C)[nH]2)C1 ZINC001491289209 1258910027 /nfs/dbraw/zinc/91/00/27/1258910027.db2.gz ZBOOUTXMGPBCAR-DZGCQCFKSA-N 1 2 333.480 2.432 10 30 EEEELO C=CC(C)(C)CC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](Cc2nnc(C)[nH]2)C1 ZINC001491289209 1258910030 /nfs/dbraw/zinc/91/00/30/1258910030.db2.gz ZBOOUTXMGPBCAR-DZGCQCFKSA-N 1 2 333.480 2.432 10 30 EEEELO C#CCCCC(=O)NC[C@H]1CCC[N@H+]1CC(=O)Nc1cccc(F)c1 ZINC001267268483 1276685566 /nfs/dbraw/zinc/68/55/66/1276685566.db2.gz ZBIRNHJSMXTGNR-QGZVFWFLSA-N 1 2 345.418 2.148 10 30 EEEELO C#CCCCC(=O)NC[C@H]1CCC[N@@H+]1CC(=O)Nc1cccc(F)c1 ZINC001267268483 1276685578 /nfs/dbraw/zinc/68/55/78/1276685578.db2.gz ZBIRNHJSMXTGNR-QGZVFWFLSA-N 1 2 345.418 2.148 10 30 EEEELO Cc1nc([C@H]2CC[N@H+](Cc3nnc(-c4cccc(C#N)c4)o3)C2)no1 ZINC001197728848 1284777879 /nfs/dbraw/zinc/77/78/79/1284777879.db2.gz 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ZINC001490141332 1290964132 /nfs/dbraw/zinc/96/41/32/1290964132.db2.gz MTXWLOFSBVMWOV-KRWDZBQOSA-N 1 2 346.475 2.469 10 30 EEEELO C=CCCO[C@H](C)C(=O)N(C)C1CC[NH+](Cc2coc(C)n2)CC1 ZINC001490399481 1291289162 /nfs/dbraw/zinc/28/91/62/1291289162.db2.gz JXFXHHZEEDCFAW-CQSZACIVSA-N 1 2 335.448 2.387 10 30 EEEELO C=CCC1(C(=O)NC[C@@H]2[C@H]3C[N@H+](Cc4nnc(C)s4)C[C@H]32)CCC1 ZINC001276708487 1296306261 /nfs/dbraw/zinc/30/62/61/1296306261.db2.gz PPXBTRCFSQJKKY-QKDCVEJESA-N 1 2 346.500 2.387 10 30 EEEELO C=CCC1(C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4nnc(C)s4)C[C@H]32)CCC1 ZINC001276708487 1296306274 /nfs/dbraw/zinc/30/62/74/1296306274.db2.gz PPXBTRCFSQJKKY-QKDCVEJESA-N 1 2 346.500 2.387 10 30 EEEELO C=C(C)C(C)(C)C(=O)NC[C@@H]1CC[N@H+]1[C@H](C)C(=O)NCCC(C)C ZINC001276899615 1300172253 /nfs/dbraw/zinc/17/22/53/1300172253.db2.gz OJAPQQAAYMFDTN-CVEARBPZSA-N 1 2 337.508 2.330 10 30 EEEELO C=C(C)C(C)(C)C(=O)NC[C@@H]1CC[N@@H+]1[C@H](C)C(=O)NCCC(C)C ZINC001276899615 1300172256 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338.411 2.183 10 30 EEEELO C#CCN(C(=O)/C(C)=C\C)C1CC[NH+](Cc2cn(C(C)C)nn2)CC1 ZINC001278137413 1306067112 /nfs/dbraw/zinc/06/71/12/1306067112.db2.gz OBBKWZMNZCNKRR-APSNUPSMSA-N 1 2 343.475 2.251 10 30 EEEELO C#CCN(C(=O)C[C@H](C)CC)C1CC[NH+]([C@@H](C)c2nncn2C)CC1 ZINC001278144373 1306084667 /nfs/dbraw/zinc/08/46/67/1306084667.db2.gz JWUIFROVMIBFNF-CVEARBPZSA-N 1 2 345.491 2.239 10 30 EEEELO C#CCN(C(=O)c1cnco1)C1CC[NH+](Cc2nc(C)oc2C)CC1 ZINC001278169644 1306149918 /nfs/dbraw/zinc/14/99/18/1306149918.db2.gz PPVMVBKOISVILX-UHFFFAOYSA-N 1 2 342.399 2.019 10 30 EEEELO C#C[C@@H]1CCCN(c2nnc([C@H]3C[N@H+](C(C)C)CCO3)n2CC=C)C1 ZINC001121496145 1310028850 /nfs/dbraw/zinc/02/88/50/1310028850.db2.gz WCRRLFRKTCYQJK-IAGOWNOFSA-N 1 2 343.475 2.095 10 30 EEEELO C#C[C@@H]1CCCN(c2nnc([C@H]3C[N@@H+](C(C)C)CCO3)n2CC=C)C1 ZINC001121496145 1310028858 /nfs/dbraw/zinc/02/88/58/1310028858.db2.gz WCRRLFRKTCYQJK-IAGOWNOFSA-N 1 2 343.475 2.095 10 30 EEEELO C=CCC[NH+]1CC2(C1)CN(C(=O)CCCC1CCOCC1)CCO2 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VGKHAFGJKMETKN-GOSISDBHSA-N 1 2 335.448 2.288 10 30 EEEELO C=C[C@](C)(CC)C(=O)NCCC[N@H+](C)Cc1nnc2n1CCCC2 ZINC001265031940 1322874708 /nfs/dbraw/zinc/87/47/08/1322874708.db2.gz DBPZXRFWRYSKRF-GOSISDBHSA-N 1 2 333.480 2.155 10 30 EEEELO C=C[C@](C)(CC)C(=O)NCCC[N@@H+](C)Cc1nnc2n1CCCC2 ZINC001265031940 1322874712 /nfs/dbraw/zinc/87/47/12/1322874712.db2.gz DBPZXRFWRYSKRF-GOSISDBHSA-N 1 2 333.480 2.155 10 30 EEEELO Cc1cc(C[NH+]2CCC(N(C)C(=O)C#CC(C)(C)C)CC2)nn1C ZINC001265191989 1322977901 /nfs/dbraw/zinc/97/79/01/1322977901.db2.gz LAZRPOAPVKYMON-UHFFFAOYSA-N 1 2 330.476 2.201 10 30 EEEELO CC(C)C(=O)NCC[NH+]1CCN(CC#Cc2cccc(Cl)c2)CC1 ZINC001265255998 1323014554 /nfs/dbraw/zinc/01/45/54/1323014554.db2.gz JGYMKSGPJNEQSK-UHFFFAOYSA-N 1 2 347.890 2.081 10 30 EEEELO C=CCCC(=O)N[C@@H]1CC[N@H+](CC(=O)Nc2ccc3c(c2)CCC3)C1 ZINC001265275349 1323026695 /nfs/dbraw/zinc/02/66/95/1323026695.db2.gz NURHEIHIQWCYRH-GOSISDBHSA-N 1 2 341.455 2.271 10 30 EEEELO C=CCCC(=O)N[C@@H]1CC[N@@H+](CC(=O)Nc2ccc3c(c2)CCC3)C1 ZINC001265275349 1323026701 /nfs/dbraw/zinc/02/67/01/1323026701.db2.gz NURHEIHIQWCYRH-GOSISDBHSA-N 1 2 341.455 2.271 10 30 EEEELO C=CCCC(=O)N[C@@H]1CC[N@H+](CC(=O)NC2CCCCCCC2)C1 ZINC001265274748 1323027257 /nfs/dbraw/zinc/02/72/57/1323027257.db2.gz HYOXMNMLJWXSOC-QGZVFWFLSA-N 1 2 335.492 2.372 10 30 EEEELO C=CCCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC2CCCCCCC2)C1 ZINC001265274748 1323027264 /nfs/dbraw/zinc/02/72/64/1323027264.db2.gz HYOXMNMLJWXSOC-QGZVFWFLSA-N 1 2 335.492 2.372 10 30 EEEELO C#CCCCCCC(=O)N1CC[C@H]([NH2+]Cc2nc(C3CC3)no2)C1 ZINC001265923296 1323490198 /nfs/dbraw/zinc/49/01/98/1323490198.db2.gz LUUMYFKJBPTHBP-HNNXBMFYSA-N 1 2 330.432 2.221 10 30 EEEELO C#CCOCCC(=O)N(C)C1CC[NH+](Cc2ncc(C3CC3)o2)CC1 ZINC001266181481 1323748423 /nfs/dbraw/zinc/74/84/23/1323748423.db2.gz GPSMCBACCKJSKQ-UHFFFAOYSA-N 1 2 345.443 2.015 10 30 EEEELO C=CCCC(=O)N[C@@H]1CCC[N@@H+](CC(=O)N[C@@H](C)c2ccco2)C1 ZINC001266208894 1323774789 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340.467 2.254 10 30 EEEELO C=C[C@](C)(CC)C(=O)N(C)CC(C)(C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001280407653 1324205432 /nfs/dbraw/zinc/20/54/32/1324205432.db2.gz OXNFKRNGXVZIGL-GOSISDBHSA-N 1 2 334.464 2.155 10 30 EEEELO C=C[C@](C)(CC)C(=O)N[C@H]1CC12CCN(C(=O)Cc1[nH]cc[nH+]1)CC2 ZINC001294840172 1329167712 /nfs/dbraw/zinc/16/77/12/1329167712.db2.gz HFCLAAGRUDVFSG-KBXCAEBGSA-N 1 2 344.459 2.052 10 30 EEEELO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)C1(COC)CCCCC1)O2 ZINC001280930585 1324647865 /nfs/dbraw/zinc/64/78/65/1324647865.db2.gz ZHKCOMHKYVGERW-MRXNPFEDSA-N 1 2 336.476 2.119 10 30 EEEELO C=C[C@](C)(CC)C(=O)N1CCC[C@](CO)([NH2+]Cc2ncc(CC)o2)C1 ZINC001281163703 1324810842 /nfs/dbraw/zinc/81/08/42/1324810842.db2.gz PUGGEPLSDWIHSO-MOPGFXCFSA-N 1 2 349.475 2.282 10 30 EEEELO C=C(C)CCC(=O)N[C@H]1CCCN(C(=O)CCc2[nH+]ccn2C)[C@H]1C ZINC001281211462 1324880560 /nfs/dbraw/zinc/88/05/60/1324880560.db2.gz ZCWRWAZPCBZMFK-HOTGVXAUSA-N 1 2 346.475 2.205 10 30 EEEELO C=CCCC(=O)N1CCC([C@@H](C)NC(=O)CCc2[nH+]ccn2C)CC1 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CC(C)C#CC(=O)N1C[C@@H]([NH2+]Cc2nnc(C(C)(C)C)o2)C(C)(C)C1 ZINC001676994099 1357257861 /nfs/dbraw/zinc/25/78/61/1357257861.db2.gz IOHDVTHKUCUHTN-CQSZACIVSA-N 1 2 346.475 2.353 10 30 EEEELO C=CCNC(=O)C[N@@H+](C)CCN(C(=O)c1ccc(C)c(F)c1)C(C)C ZINC001677205445 1357294735 /nfs/dbraw/zinc/29/47/35/1357294735.db2.gz UMSOUCSOKCZJAH-UHFFFAOYSA-N 1 2 349.450 2.219 10 30 EEEELO C=CCNC(=O)C[N@H+](C)CCN(C(=O)c1ccc(C)c(F)c1)C(C)C ZINC001677205445 1357294740 /nfs/dbraw/zinc/29/47/40/1357294740.db2.gz UMSOUCSOKCZJAH-UHFFFAOYSA-N 1 2 349.450 2.219 10 30 EEEELO C#CCO[C@@H](C)C(=O)N[C@@H](C[NH2+]CC(F)(F)C(F)F)C(C)(C)C ZINC001677248067 1357301711 /nfs/dbraw/zinc/30/17/11/1357301711.db2.gz VZQNRIDFNSBQII-QWRGUYRKSA-N 1 2 340.361 2.046 10 30 EEEELO C=CC(C)(C)C(=O)NCC1CC(NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001677789853 1357410326 /nfs/dbraw/zinc/41/03/26/1357410326.db2.gz MNYIJNDBNPGBFZ-NFOMZHRRSA-N 1 2 332.448 2.057 10 30 EEEELO C=CCC(C)(C)C(=O)N(C)[C@H](C)CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001678183718 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NNHPJZMONDBVRR-GDBMZVCRSA-N 1 2 344.459 2.004 10 30 EEEELO C#CCCCC(=O)N1CCCC[C@H]1C[N@@H+](C)Cc1cn(C(C)C)nn1 ZINC001657063542 1354315445 /nfs/dbraw/zinc/31/54/45/1354315445.db2.gz RYYCTHPBCOKTGD-SFHVURJKSA-N 1 2 345.491 2.475 10 30 EEEELO C#CCCCC(=O)N1CCCC[C@H]1C[N@H+](C)Cc1cn(C(C)C)nn1 ZINC001657063542 1354315449 /nfs/dbraw/zinc/31/54/49/1354315449.db2.gz RYYCTHPBCOKTGD-SFHVURJKSA-N 1 2 345.491 2.475 10 30 EEEELO C#Cc1ccc(C(=O)NCCC[N@@H+](C)CC(=C)Br)nc1 ZINC001660372110 1354451524 /nfs/dbraw/zinc/45/15/24/1354451524.db2.gz MFWDXKMZNBKYFL-UHFFFAOYSA-N 1 2 336.233 2.023 10 30 EEEELO C#Cc1ccc(C(=O)NCCC[N@H+](C)CC(=C)Br)nc1 ZINC001660372110 1354451525 /nfs/dbraw/zinc/45/15/25/1354451525.db2.gz MFWDXKMZNBKYFL-UHFFFAOYSA-N 1 2 336.233 2.023 10 30 EEEELO C=CCCC(=O)NC[C@H]1CCCC[N@@H+]1CC(=O)NCc1cccs1 ZINC001661856485 1354710661 /nfs/dbraw/zinc/71/06/61/1354710661.db2.gz OXVOAGBREPMGFX-OAHLLOKOSA-N 1 2 349.500 2.301 10 30 EEEELO C=CCCC(=O)NC[C@H]1CCCC[N@H+]1CC(=O)NCc1cccs1 ZINC001661856485 1354710663 /nfs/dbraw/zinc/71/06/63/1354710663.db2.gz OXVOAGBREPMGFX-OAHLLOKOSA-N 1 2 349.500 2.301 10 30 EEEELO C=CCCO[C@@H](C)C(=O)N1CCC[C@@H]([N@H+](C)Cc2nocc2C)C1 ZINC001662823757 1354855070 /nfs/dbraw/zinc/85/50/70/1354855070.db2.gz XHXHBTXHRUCOCW-JKSUJKDBSA-N 1 2 335.448 2.387 10 30 EEEELO C=CCCO[C@@H](C)C(=O)N1CCC[C@@H]([N@@H+](C)Cc2nocc2C)C1 ZINC001662823757 1354855072 /nfs/dbraw/zinc/85/50/72/1354855072.db2.gz XHXHBTXHRUCOCW-JKSUJKDBSA-N 1 2 335.448 2.387 10 30 EEEELO Cc1cc(C(=O)NCC[N@@H+](C)Cc2ccccc2C#N)c2nccn2c1 ZINC001663239788 1354939320 /nfs/dbraw/zinc/93/93/20/1354939320.db2.gz PPBUCEWUYCVWMP-UHFFFAOYSA-N 1 2 347.422 2.376 10 30 EEEELO Cc1cc(C(=O)NCC[N@H+](C)Cc2ccccc2C#N)c2nccn2c1 ZINC001663239788 1354939322 /nfs/dbraw/zinc/93/93/22/1354939322.db2.gz PPBUCEWUYCVWMP-UHFFFAOYSA-N 1 2 347.422 2.376 10 30 EEEELO C=C[C@@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)C(=O)NCCC ZINC001664633932 1355202009 /nfs/dbraw/zinc/20/20/09/1355202009.db2.gz LUENXVPSXORJJK-GGXPGOJBSA-N 1 2 335.492 2.179 10 30 EEEELO C=C[C@@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)C(=O)NCCC ZINC001664633932 1355202014 /nfs/dbraw/zinc/20/20/14/1355202014.db2.gz LUENXVPSXORJJK-GGXPGOJBSA-N 1 2 335.492 2.179 10 30 EEEELO C#CCCCCC(=O)N[C@@H]1CCC[N@H+](CC(=O)NC2CCCCC2)C1 ZINC001664985478 1355260820 /nfs/dbraw/zinc/26/08/20/1355260820.db2.gz DWWZRHBYIRRLLM-GOSISDBHSA-N 1 2 347.503 2.210 10 30 EEEELO C#CCCCCC(=O)N[C@@H]1CCC[N@@H+](CC(=O)NC2CCCCC2)C1 ZINC001664985478 1355260829 /nfs/dbraw/zinc/26/08/29/1355260829.db2.gz DWWZRHBYIRRLLM-GOSISDBHSA-N 1 2 347.503 2.210 10 30 EEEELO COCC(C)(C)C(=O)NCC1C[NH+](CC#Cc2cccc(Cl)c2)C1 ZINC001665309491 1355290842 /nfs/dbraw/zinc/29/08/42/1355290842.db2.gz VWIDFNIBWMXBAQ-UHFFFAOYSA-N 1 2 348.874 2.412 10 30 EEEELO C#CCO[C@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2sccc2Cl)C1 ZINC001665542846 1355322942 /nfs/dbraw/zinc/32/29/42/1355322942.db2.gz FLYAMUSLNMIIFQ-VXGBXAGGSA-N 1 2 326.849 2.130 10 30 EEEELO C#CCO[C@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2sccc2Cl)C1 ZINC001665542846 1355322944 /nfs/dbraw/zinc/32/29/44/1355322944.db2.gz FLYAMUSLNMIIFQ-VXGBXAGGSA-N 1 2 326.849 2.130 10 30 EEEELO C=CCOCC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccn(C3CCCC3)n2)C1 ZINC001665618113 1355335028 /nfs/dbraw/zinc/33/50/28/1355335028.db2.gz WJFHSQHRSSZUHQ-GOSISDBHSA-N 1 2 346.475 2.234 10 30 EEEELO C=CCOCC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccn(C3CCCC3)n2)C1 ZINC001665618113 1355335030 /nfs/dbraw/zinc/33/50/30/1355335030.db2.gz WJFHSQHRSSZUHQ-GOSISDBHSA-N 1 2 346.475 2.234 10 30 EEEELO Cc1cccn2cc(CC(=O)NCc3ccc(CNCC#N)cc3)[nH+]c12 ZINC001666344283 1355513769 /nfs/dbraw/zinc/51/37/69/1355513769.db2.gz HIIYYBQCQZMDTA-UHFFFAOYSA-N 1 2 347.422 2.115 10 30 EEEELO C=C1CCC(C(=O)NC/C=C/C[NH2+]Cc2ncnn2CC(C)C)CC1 ZINC001669020913 1356069830 /nfs/dbraw/zinc/06/98/30/1356069830.db2.gz LPTHWYHUAVGTCV-SNAWJCMRSA-N 1 2 345.491 2.443 10 30 EEEELO C=C(C)CCC(=O)N[C@@H](C)C[NH2+]Cc1nn(C)cc1Br ZINC001669572033 1356176681 /nfs/dbraw/zinc/17/66/81/1356176681.db2.gz KLEMODBKEQNNBU-NSHDSACASA-N 1 2 343.269 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C=C[C@H](CC)CC(=O)N1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C(C)(C)C1 ZINC001487262424 1197334252 /nfs/dbraw/zinc/33/42/52/1197334252.db2.gz AREMIZIFLJTXBN-GDBMZVCRSA-N 1 2 346.475 2.298 10 30 EEEELO C=CCC1(C(=O)N(C)C[C@H]2CC[N@@H+]2CC(=O)N2CCCC2)CCCC1 ZINC001691682340 1197488185 /nfs/dbraw/zinc/48/81/85/1197488185.db2.gz KLURKAAVGYLIRJ-QGZVFWFLSA-N 1 2 347.503 2.278 10 30 EEEELO C=CCC1(C(=O)N(C)C[C@H]2CC[N@H+]2CC(=O)N2CCCC2)CCCC1 ZINC001691682340 1197488187 /nfs/dbraw/zinc/48/81/87/1197488187.db2.gz KLURKAAVGYLIRJ-QGZVFWFLSA-N 1 2 347.503 2.278 10 30 EEEELO CC[C@@H](CO)[NH+]1CCN(c2c(Br)cccc2C#N)CC1 ZINC000865566645 1198278875 /nfs/dbraw/zinc/27/88/75/1198278875.db2.gz LZMFYYBSKRWIJF-ZDUSSCGKSA-N 1 2 338.249 2.214 10 30 EEEELO CCN(CC[NH2+]Cc1nc(C2CCCC2)no1)C(=O)C#CC(C)C ZINC001273363340 1198328106 /nfs/dbraw/zinc/32/81/06/1198328106.db2.gz LZGSLBSCDKUGFR-UHFFFAOYSA-N 1 2 332.448 2.325 10 30 EEEELO C=CCCC(=O)N1CC[C@@H]([NH+]2CCN([C@@H](C)c3ncc(C)o3)CC2)C1 ZINC001273374296 1198391940 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/nfs/dbraw/zinc/73/69/22/1342736922.db2.gz HJRGSPARGRAANX-RDJZCZTQSA-N 1 2 341.455 2.091 10 30 EEEELO C=CCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)C(=O)N[C@@H](C)CC ZINC001567674018 1342810848 /nfs/dbraw/zinc/81/08/48/1342810848.db2.gz SIMASGYDCNTNCP-LUKYLMHMSA-N 1 2 335.492 2.321 10 30 EEEELO C=CCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)C(=O)N[C@@H](C)CC ZINC001567674018 1342810850 /nfs/dbraw/zinc/81/08/50/1342810850.db2.gz SIMASGYDCNTNCP-LUKYLMHMSA-N 1 2 335.492 2.321 10 30 EEEELO C=CCOCC[NH+]1CC(NC(=O)c2c[nH]cc2-c2ccccc2)C1 ZINC001567816722 1342844595 /nfs/dbraw/zinc/84/45/95/1342844595.db2.gz AFWUPSHGYRQURB-UHFFFAOYSA-N 1 2 325.412 2.298 10 30 EEEELO C=CCCC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1cnn(CC)n1)C2 ZINC001569464332 1342875572 /nfs/dbraw/zinc/87/55/72/1342875572.db2.gz KYIVIBFQXNVLCB-GOSISDBHSA-N 1 2 331.464 2.079 10 30 EEEELO C=CCCC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1cnn(CC)n1)C2 ZINC001569464332 1342875577 /nfs/dbraw/zinc/87/55/77/1342875577.db2.gz KYIVIBFQXNVLCB-GOSISDBHSA-N 1 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C=C(C)[C@H](CC(=O)N[C@@]1(C)CC[N@@H+](Cc2cc(C)n(C)n2)C1)OCC ZINC001569639286 1342914196 /nfs/dbraw/zinc/91/41/96/1342914196.db2.gz QUMPYGSSXKKLQH-HKUYNNGSSA-N 1 2 348.491 2.180 10 30 EEEELO C=C[C@@H](CC)CC(=O)N1C[C@@H]2C[N@H+]([C@H](C)c3noc(C)n3)C[C@@H]2C1 ZINC001569879173 1342967583 /nfs/dbraw/zinc/96/75/83/1342967583.db2.gz SMUKMPKTQIGGHF-BVUBDWEXSA-N 1 2 332.448 2.432 10 30 EEEELO C=C[C@@H](CC)CC(=O)N1C[C@@H]2C[N@@H+]([C@H](C)c3noc(C)n3)C[C@@H]2C1 ZINC001569879173 1342967586 /nfs/dbraw/zinc/96/75/86/1342967586.db2.gz SMUKMPKTQIGGHF-BVUBDWEXSA-N 1 2 332.448 2.432 10 30 EEEELO C=CCC(CC=C)C(=O)N[C@@H]1CCC[N@@H+]([C@H](C)c2nnnn2C)CC1 ZINC001570177285 1343026016 /nfs/dbraw/zinc/02/60/16/1343026016.db2.gz JABFRSKYMCPGFT-GDBMZVCRSA-N 1 2 346.479 2.010 10 30 EEEELO C=CCC(CC=C)C(=O)N[C@@H]1CCC[N@H+]([C@H](C)c2nnnn2C)CC1 ZINC001570177285 1343026021 /nfs/dbraw/zinc/02/60/21/1343026021.db2.gz JABFRSKYMCPGFT-GDBMZVCRSA-N 1 2 346.479 2.010 10 30 EEEELO CC(C)n1ccc(C[N@@H+]2CC[C@H](NC(=O)C#CC3CC3)C[C@@H]2C)n1 ZINC001570434943 1343068159 /nfs/dbraw/zinc/06/81/59/1343068159.db2.gz QDFUYIBATFPTMV-RDJZCZTQSA-N 1 2 328.460 2.347 10 30 EEEELO CC(C)n1ccc(C[N@H+]2CC[C@H](NC(=O)C#CC3CC3)C[C@@H]2C)n1 ZINC001570434943 1343068163 /nfs/dbraw/zinc/06/81/63/1343068163.db2.gz QDFUYIBATFPTMV-RDJZCZTQSA-N 1 2 328.460 2.347 10 30 EEEELO C[C@@H](CNC(=O)C#CC1CC1)[N@H+](C)Cc1cc(-c2ccco2)on1 ZINC001570710528 1343105164 /nfs/dbraw/zinc/10/51/64/1343105164.db2.gz JRRGABJXEYVUFU-ZDUSSCGKSA-N 1 2 327.384 2.285 10 30 EEEELO C[C@@H](CNC(=O)C#CC1CC1)[N@@H+](C)Cc1cc(-c2ccco2)on1 ZINC001570710528 1343105166 /nfs/dbraw/zinc/10/51/66/1343105166.db2.gz JRRGABJXEYVUFU-ZDUSSCGKSA-N 1 2 327.384 2.285 10 30 EEEELO C=C[C@](C)(O)CC(=O)N[C@H]1C[N@@H+](Cc2ncoc2C(C)C)CC1(C)C ZINC001570895044 1343132892 /nfs/dbraw/zinc/13/28/92/1343132892.db2.gz LXCBHLJPAQDOIA-KXBFYZLASA-N 1 2 349.475 2.452 10 30 EEEELO C=C[C@](C)(O)CC(=O)N[C@H]1C[N@H+](Cc2ncoc2C(C)C)CC1(C)C ZINC001570895044 1343132895 /nfs/dbraw/zinc/13/28/95/1343132895.db2.gz LXCBHLJPAQDOIA-KXBFYZLASA-N 1 2 349.475 2.452 10 30 EEEELO CC#CCCCC(=O)N[C@@]12CCC[C@H]1[N@H+](Cc1nc(C)no1)CC2 ZINC001571503304 1343221481 /nfs/dbraw/zinc/22/14/81/1343221481.db2.gz PKNBWXDAPQOXLX-CRAIPNDOSA-N 1 2 330.432 2.185 10 30 EEEELO CC#CCCCC(=O)N[C@@]12CCC[C@H]1[N@@H+](Cc1nc(C)no1)CC2 ZINC001571503304 1343221482 /nfs/dbraw/zinc/22/14/82/1343221482.db2.gz PKNBWXDAPQOXLX-CRAIPNDOSA-N 1 2 330.432 2.185 10 30 EEEELO C=CCNC(=O)C[N@@H+](C)CCN(C(=O)C1CCC2(CC2)CC1)C(C)C ZINC001571613268 1343252909 /nfs/dbraw/zinc/25/29/09/1343252909.db2.gz OVKRVPUFEHRGNE-UHFFFAOYSA-N 1 2 349.519 2.428 10 30 EEEELO C=CCNC(=O)C[N@H+](C)CCN(C(=O)C1CCC2(CC2)CC1)C(C)C ZINC001571613268 1343252913 /nfs/dbraw/zinc/25/29/13/1343252913.db2.gz OVKRVPUFEHRGNE-UHFFFAOYSA-N 1 2 349.519 2.428 10 30 EEEELO C=CCCC(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2nncs2)C1 ZINC001571650845 1343263091 /nfs/dbraw/zinc/26/30/91/1343263091.db2.gz HHIKYWYCMWOZDP-GHMZBOCLSA-N 1 2 348.394 2.373 10 30 EEEELO C=C(C)CCC(=O)N[C@@H](C)CN(C)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001572264631 1343449274 /nfs/dbraw/zinc/44/92/74/1343449274.db2.gz KTQXRYINCRYFTC-HNNXBMFYSA-N 1 2 346.475 2.081 10 30 EEEELO C=C1CC(C)(C(=O)N[C@@H](C)C2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)C1 ZINC001572547418 1343513657 /nfs/dbraw/zinc/51/36/57/1343513657.db2.gz IBIJHPCLNGKWIH-AWEZNQCLSA-N 1 2 344.459 2.052 10 30 EEEELO C=C[C@](C)(CC)C(=O)NC[C@@H](CO)[NH2+]Cc1cc(C(C)(C)C)on1 ZINC001676576583 1357165529 /nfs/dbraw/zinc/16/55/29/1357165529.db2.gz FGHVFDLZOJMVJZ-KBXCAEBGSA-N 1 2 337.464 2.141 10 30 EEEELO C=CCCCC(=O)N1CC[C@H]([NH2+]Cc2nc(C(F)F)no2)[C@H]1C ZINC001676669720 1357178384 /nfs/dbraw/zinc/17/83/84/1357178384.db2.gz XHQQAOSNDHIGTG-MNOVXSKESA-N 1 2 328.363 2.443 10 30 EEEELO C=CCC(C)(C)C(=O)NCCN(CC)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001581085713 1344586933 /nfs/dbraw/zinc/58/69/33/1344586933.db2.gz YSONGDHEQIVBSK-HNNXBMFYSA-N 1 2 346.475 2.013 10 30 EEEELO C=CC(C)(C)C(=O)N1CC[C@@H](CN(C)C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001581809345 1344670533 /nfs/dbraw/zinc/67/05/33/1344670533.db2.gz ICWUAVBBRLANQG-CABCVRRESA-N 1 2 346.475 2.107 10 30 EEEELO C=CC(C)(C)C(=O)N1CC[C@@H](CN(C)C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001581809345 1344670536 /nfs/dbraw/zinc/67/05/36/1344670536.db2.gz ICWUAVBBRLANQG-CABCVRRESA-N 1 2 346.475 2.107 10 30 EEEELO C#CCO[C@H](C)C(=O)N[C@]12CCC[C@@H]1[N@H+](C/C(Cl)=C/Cl)CC2 ZINC001676803767 1357207077 /nfs/dbraw/zinc/20/70/77/1357207077.db2.gz WHRVFVBBSOHXCV-XXVRVBHVSA-N 1 2 345.270 2.457 10 30 EEEELO C#CCO[C@H](C)C(=O)N[C@]12CCC[C@@H]1[N@@H+](C/C(Cl)=C/Cl)CC2 ZINC001676803767 1357207079 /nfs/dbraw/zinc/20/70/79/1357207079.db2.gz WHRVFVBBSOHXCV-XXVRVBHVSA-N 1 2 345.270 2.457 10 30 EEEELO C=CCC(C)(C)C(=O)NC[C@@H]1CCN1C(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001584668554 1348753649 /nfs/dbraw/zinc/75/36/49/1348753649.db2.gz PBPHFBPAHRWFBV-UONOGXRCSA-N 1 2 344.459 2.149 10 30 EEEELO C=CCCC(=O)N(C)C1CCC(NC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001677964915 1357448469 /nfs/dbraw/zinc/44/84/69/1357448469.db2.gz VIUDLKGRIWLZEP-UHFFFAOYSA-N 1 2 332.448 2.194 10 30 EEEELO C=CCCC(=O)N(C)C1CCC(NC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001677964915 1357448472 /nfs/dbraw/zinc/44/84/72/1357448472.db2.gz VIUDLKGRIWLZEP-UHFFFAOYSA-N 1 2 332.448 2.194 10 30 EEEELO C=CC(C)(C)CC(=O)NCC(C)(C)CN(C)C(=O)Cc1c[nH+]cn1C ZINC001678031323 1357457754 /nfs/dbraw/zinc/45/77/54/1357457754.db2.gz DRKFVXSVXPFZIR-UHFFFAOYSA-N 1 2 348.491 2.166 10 30 EEEELO C=CC(C)(C)CC(=O)NC[C@@H](C)N(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001678182240 1357479338 /nfs/dbraw/zinc/47/93/38/1357479338.db2.gz CYBBYSRLIHQORO-CYBMUJFWSA-N 1 2 334.464 2.253 10 30 EEEELO C=CCCC(=O)N(C)[C@H](C)CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001678260179 1357491935 /nfs/dbraw/zinc/49/19/35/1357491935.db2.gz BIMXEBFOCPUUTB-OAHLLOKOSA-N 1 2 340.427 2.415 10 30 EEEELO CCC#C[C@@H](C)[N@H+](C)CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC001652921720 1354108447 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NKIGUYMEHVOHNH-HOTGVXAUSA-N 1 2 335.492 2.131 10 30 EEEELO C=C1CCC(C(=O)N2CCC[C@H]([N@H+](CCO)Cc3ccon3)C2)CC1 ZINC001656779626 1354275292 /nfs/dbraw/zinc/27/52/92/1354275292.db2.gz FBOSMKBDFPNOKZ-SFHVURJKSA-N 1 2 347.459 2.206 10 30 EEEELO C=C1CCC(C(=O)N2CCC[C@H]([N@@H+](CCO)Cc3ccon3)C2)CC1 ZINC001656779626 1354275294 /nfs/dbraw/zinc/27/52/94/1354275294.db2.gz FBOSMKBDFPNOKZ-SFHVURJKSA-N 1 2 347.459 2.206 10 30 EEEELO C#CC[NH2+]Cc1nc2c(s1)CCN(C(=O)c1cccn1C(C)C)C2 ZINC001657091066 1354321156 /nfs/dbraw/zinc/32/11/56/1354321156.db2.gz DDYDZPPJGNBJFG-UHFFFAOYSA-N 1 2 342.468 2.447 10 30 EEEELO C=CCCc1ccc(S(=O)(=O)NCC[NH+]2CCSCC2)cc1 ZINC001661466113 1354642651 /nfs/dbraw/zinc/64/26/51/1354642651.db2.gz XCPFBHKGIOSBGE-UHFFFAOYSA-N 1 2 340.514 2.132 10 30 EEEELO C=C[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2noc(CC)n2)C1)c1ccccc1 ZINC001661511719 1354647442 /nfs/dbraw/zinc/64/74/42/1354647442.db2.gz SQWKNFTUENAGFK-BZUAXINKSA-N 1 2 340.427 2.339 10 30 EEEELO 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ZINC000331329984 466033261 /nfs/dbraw/zinc/03/32/61/466033261.db2.gz OGEXTGBJXCRHIA-LLVKDONJSA-N 1 2 330.787 2.336 10 30 EEEELO O=C(NC[C@H]1CCCC[N@@H+]1CCO)c1cc(F)cc(Cl)c1O ZINC000331329984 466033268 /nfs/dbraw/zinc/03/32/68/466033268.db2.gz OGEXTGBJXCRHIA-LLVKDONJSA-N 1 2 330.787 2.336 10 30 EEEELO Cc1ccc(NCC[NH+]2CCN(Cc3ccccc3)CC2)nc1C#N ZINC000302613239 466159883 /nfs/dbraw/zinc/15/98/83/466159883.db2.gz CGZHRKPICAXEHH-UHFFFAOYSA-N 1 2 335.455 2.491 10 30 EEEELO CCCc1[nH+]c2ccccc2n1CCC(=O)N1CCN(CC#N)CC1 ZINC000354339500 466489008 /nfs/dbraw/zinc/48/90/08/466489008.db2.gz LZWLBFHTULVADW-UHFFFAOYSA-N 1 2 339.443 2.047 10 30 EEEELO C=CCN(CC(F)(F)F)C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000363986282 466677824 /nfs/dbraw/zinc/67/78/24/466677824.db2.gz GPECYODNZGABOZ-UHFFFAOYSA-N 1 2 344.381 2.209 10 30 EEEELO C=CCN(CC=C)C(=O)[C@@H]1CCC(=O)N(CCC)[C@H]1c1c[nH+]cn1C ZINC000370489198 466898099 /nfs/dbraw/zinc/89/80/99/466898099.db2.gz AVVHOQHVIUSXMV-CRAIPNDOSA-N 1 2 344.459 2.310 10 30 EEEELO 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ZINC000572726139 468981820 /nfs/dbraw/zinc/98/18/20/468981820.db2.gz LPLHQTBUZBCVLY-DGCLKSJQSA-N 1 2 329.278 2.354 10 30 EEEELO C=C(C)C[C@H](NC(=O)C[C@H](c1[nH+]ccn1C)C(F)(F)F)C(=O)OC ZINC000601781089 469021680 /nfs/dbraw/zinc/02/16/80/469021680.db2.gz HEJGIURBXDSQOJ-MNOVXSKESA-N 1 2 347.337 2.080 10 30 EEEELO CC[N@H+](CCC(=O)Nc1cc(OC)c(OC)c(OC)c1)[C@H](C)C#N ZINC000595818712 469026380 /nfs/dbraw/zinc/02/63/80/469026380.db2.gz XMBAHLYEBDTANG-GFCCVEGCSA-N 1 2 335.404 2.275 10 30 EEEELO CC[N@@H+](CCC(=O)Nc1cc(OC)c(OC)c(OC)c1)[C@H](C)C#N ZINC000595818712 469026386 /nfs/dbraw/zinc/02/63/86/469026386.db2.gz XMBAHLYEBDTANG-GFCCVEGCSA-N 1 2 335.404 2.275 10 30 EEEELO COc1ncc(Br)cc1C[NH2+]Cc1nc(C#N)cs1 ZINC000599005002 469084243 /nfs/dbraw/zinc/08/42/43/469084243.db2.gz XGVOMCCWPBKXGT-UHFFFAOYSA-N 1 2 339.218 2.471 10 30 EEEELO N#Cc1cc(C[N@H+]2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)ccn1 ZINC000610993476 469133396 /nfs/dbraw/zinc/13/33/96/469133396.db2.gz PVAHOPFEOCVOAY-INIZCTEOSA-N 1 2 339.374 2.488 10 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/nfs/dbraw/zinc/48/04/75/470480475.db2.gz LOWQPMFEDKEWQQ-KRWDZBQOSA-N 1 2 343.471 2.398 10 30 EEEELO C=C(C)C[C@H](NC(C)=O)C(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000669111246 471383879 /nfs/dbraw/zinc/38/38/79/471383879.db2.gz GSUAOJUVPNPNCR-KRWDZBQOSA-N 1 2 340.427 2.234 10 30 EEEELO C=C(Br)CN1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC000105916635 526426859 /nfs/dbraw/zinc/42/68/59/526426859.db2.gz DKVOWXGGCFPUSS-UHFFFAOYSA-N 1 2 327.270 2.063 10 30 EEEELO C#CC[N@@H+](Cc1ccc(C(C)(C)C#N)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000775632557 577441280 /nfs/dbraw/zinc/44/12/80/577441280.db2.gz OWRYIRDMCCCMEV-QGZVFWFLSA-N 1 2 330.453 2.110 10 30 EEEELO C#CC[N@H+](Cc1ccc(C(C)(C)C#N)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000775632557 577441281 /nfs/dbraw/zinc/44/12/81/577441281.db2.gz OWRYIRDMCCCMEV-QGZVFWFLSA-N 1 2 330.453 2.110 10 30 EEEELO Fc1ccc(CN[NH+]=Cc2cnc(N3CCOCC3)s2)c(F)c1 ZINC000755684013 577829165 /nfs/dbraw/zinc/82/91/65/577829165.db2.gz YFIHRKNJSVYAMT-UHFFFAOYSA-N 1 2 338.383 2.382 10 30 EEEELO C#CC1(O)CC[NH+](Cc2cc(Br)c(OC)s2)CC1 ZINC000895384683 684569084 /nfs/dbraw/zinc/56/90/84/684569084.db2.gz RVXOSEYCCUIIOR-UHFFFAOYSA-N 1 2 330.247 2.479 10 30 EEEELO Cc1cn(C(C)(C)C(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)c[nH+]1 ZINC000897252443 686331587 /nfs/dbraw/zinc/33/15/87/686331587.db2.gz ACWDBVVROXEAHN-KRWDZBQOSA-N 1 2 338.411 2.398 10 30 EEEELO O=C(NCC(F)(C(F)(F)F)C(F)(F)F)[C@@H]1CCc2[nH+]ccn2C1 ZINC000899094038 693599866 /nfs/dbraw/zinc/59/98/66/693599866.db2.gz DAJDYLGBWMFPDP-SSDOTTSWSA-N 1 2 347.234 2.395 10 30 EEEELO C=C(C)CCC(=O)NC[C@]1(NC(=O)Cc2c[nH]c[nH+]2)CCCC[C@@H]1C ZINC001746483448 1191961801 /nfs/dbraw/zinc/96/18/01/1191961801.db2.gz BVJOTUVGVRWQHD-HNAYVOBHSA-N 1 2 346.475 2.490 10 30 EEEELO C#CCCCC(=O)NCC[N@@H+](C)[C@@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC001480857913 1176025396 /nfs/dbraw/zinc/02/53/96/1176025396.db2.gz FDWXAHPZEJHTGZ-AWEZNQCLSA-N 1 2 340.427 2.248 10 30 EEEELO C#CCCCC(=O)NCC[N@H+](C)[C@@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC001480857913 1176025404 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2.465 10 30 EEEELO C=C[C@@](C)(CCOC)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC(F)(F)F ZINC001481675126 1182187883 /nfs/dbraw/zinc/18/78/83/1182187883.db2.gz BWTGIWSYMJLNJO-YDHLFZDLSA-N 1 2 334.382 2.453 10 30 EEEELO C=C[C@@](C)(CCOC)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCC(F)(F)F ZINC001481675126 1182187886 /nfs/dbraw/zinc/18/78/86/1182187886.db2.gz BWTGIWSYMJLNJO-YDHLFZDLSA-N 1 2 334.382 2.453 10 30 EEEELO C=CCC(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCn1c(C)csc1=O ZINC001481679059 1182199746 /nfs/dbraw/zinc/19/97/46/1182199746.db2.gz WMSLAKFLEYEQQB-GJZGRUSLSA-N 1 2 349.500 2.106 10 30 EEEELO C=CCC(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCn1c(C)csc1=O ZINC001481679059 1182199747 /nfs/dbraw/zinc/19/97/47/1182199747.db2.gz WMSLAKFLEYEQQB-GJZGRUSLSA-N 1 2 349.500 2.106 10 30 EEEELO C#Cc1cccc(NC(=O)C[N@H+]2CC[C@H](NC(=O)/C=C(/C)CC)C2)c1 ZINC001481688785 1182209646 /nfs/dbraw/zinc/20/96/46/1182209646.db2.gz PDGYBOKGCXCZJS-RXBGNRNISA-N 1 2 339.439 2.153 10 30 EEEELO C#Cc1cccc(NC(=O)C[N@@H+]2CC[C@H](NC(=O)/C=C(/C)CC)C2)c1 ZINC001481688785 1182209650 /nfs/dbraw/zinc/20/96/50/1182209650.db2.gz PDGYBOKGCXCZJS-RXBGNRNISA-N 1 2 339.439 2.153 10 30 EEEELO C=CCCC(=O)N(CCC)[C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001745656757 1182339421 /nfs/dbraw/zinc/33/94/21/1182339421.db2.gz NMZZWEAVIOKUHO-MRXNPFEDSA-N 1 2 346.475 2.158 10 30 EEEELO C=CCCC(=O)N1CC[C@@H](N(CCC)C(=O)CCn2cc[nH+]c2)C1 ZINC001745662261 1182357209 /nfs/dbraw/zinc/35/72/09/1182357209.db2.gz DWOJHZJOJHQMMU-MRXNPFEDSA-N 1 2 332.448 2.079 10 30 EEEELO C=CCOCCCC(=O)N(C)[C@@H]1CC[N@H+](Cc2ncc(C)s2)C1 ZINC001481721379 1182368927 /nfs/dbraw/zinc/36/89/27/1182368927.db2.gz SWJDYJSFJILKTI-OAHLLOKOSA-N 1 2 337.489 2.467 10 30 EEEELO C=CCOCCCC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ncc(C)s2)C1 ZINC001481721379 1182368932 /nfs/dbraw/zinc/36/89/32/1182368932.db2.gz SWJDYJSFJILKTI-OAHLLOKOSA-N 1 2 337.489 2.467 10 30 EEEELO C#CCCCC(=O)N(C)CC[NH+]1CCN(C(=O)CC(C)=C(C)C)CC1 ZINC001745695488 1182436338 /nfs/dbraw/zinc/43/63/38/1182436338.db2.gz NWNXHPVZPNGRFF-UHFFFAOYSA-N 1 2 347.503 2.139 10 30 EEEELO C=C[C@](C)(CC)C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccc(OC)nn2)C1 ZINC001481740104 1182461845 /nfs/dbraw/zinc/46/18/45/1182461845.db2.gz KORQQMKQNCCALQ-CRAIPNDOSA-N 1 2 332.448 2.120 10 30 EEEELO C=C[C@](C)(CC)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccc(OC)nn2)C1 ZINC001481740104 1182461849 /nfs/dbraw/zinc/46/18/49/1182461849.db2.gz KORQQMKQNCCALQ-CRAIPNDOSA-N 1 2 332.448 2.120 10 30 EEEELO C=C1CCC(C(=O)N[C@H](C)C[N@H+](C)CC(=O)Nc2cc(C)on2)CC1 ZINC001268746355 1183664673 /nfs/dbraw/zinc/66/46/73/1183664673.db2.gz MELQFAZCARVUMN-CYBMUJFWSA-N 1 2 348.447 2.104 10 30 EEEELO C=C1CCC(C(=O)N[C@H](C)C[N@@H+](C)CC(=O)Nc2cc(C)on2)CC1 ZINC001268746355 1183664675 /nfs/dbraw/zinc/66/46/75/1183664675.db2.gz MELQFAZCARVUMN-CYBMUJFWSA-N 1 2 348.447 2.104 10 30 EEEELO COc1cccc(C[NH+]2CC(CNC(=O)C#CC3CC3)C2)c1Cl ZINC001268824652 1183744007 /nfs/dbraw/zinc/74/40/07/1183744007.db2.gz HKZNBAVSZUTSBY-UHFFFAOYSA-N 1 2 332.831 2.310 10 30 EEEELO C=CCC1(C(=O)NCC2C[NH+]([C@@H](C)C(=O)NC3CCCC3)C2)CCC1 ZINC001268874229 1183780910 /nfs/dbraw/zinc/78/09/10/1183780910.db2.gz HSLNDKGEDUCLLW-HNNXBMFYSA-N 1 2 347.503 2.228 10 30 EEEELO C#CCOCCC(=O)N[C@@H]1CC[N@@H+](Cc2nc(C(C)(C)C)cs2)C1 ZINC001269126227 1183984180 /nfs/dbraw/zinc/98/41/80/1183984180.db2.gz FCLDTLSMHAVQLN-CQSZACIVSA-N 1 2 349.500 2.171 10 30 EEEELO C#CCOCCC(=O)N[C@@H]1CC[N@H+](Cc2nc(C(C)(C)C)cs2)C1 ZINC001269126227 1183984184 /nfs/dbraw/zinc/98/41/84/1183984184.db2.gz FCLDTLSMHAVQLN-CQSZACIVSA-N 1 2 349.500 2.171 10 30 EEEELO C#CCO[C@H](C)C(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(C)cc1Cl ZINC001269235373 1184084059 /nfs/dbraw/zinc/08/40/59/1184084059.db2.gz KFVWZFRSXXFIML-GDBMZVCRSA-N 1 2 334.847 2.377 10 30 EEEELO C#CCO[C@H](C)C(=O)NC[C@H]1CC[N@H+]1Cc1ccc(C)cc1Cl ZINC001269235373 1184084064 /nfs/dbraw/zinc/08/40/64/1184084064.db2.gz KFVWZFRSXXFIML-GDBMZVCRSA-N 1 2 334.847 2.377 10 30 EEEELO C=CCCO[C@H](C)C(=O)N(C)C1C[NH+](CCc2scnc2C)C1 ZINC001269760205 1184597315 /nfs/dbraw/zinc/59/73/15/1184597315.db2.gz XJEQRRZGBXKXQO-CQSZACIVSA-N 1 2 337.489 2.118 10 30 EEEELO C#CC[NH2+]CCC1CCN(C(=O)c2c(Cl)[nH]nc2C2CC2)CC1 ZINC001269871101 1184682685 /nfs/dbraw/zinc/68/26/85/1184682685.db2.gz NPHPVKOPDCWULD-UHFFFAOYSA-N 1 2 334.851 2.406 10 30 EEEELO C#CCN(C(=O)[C@H]1CC=CCC1)C1CC[NH+](Cc2ccon2)CC1 ZINC001270284664 1184987676 /nfs/dbraw/zinc/98/76/76/1184987676.db2.gz CQUMVTXOSVVSLG-INIZCTEOSA-N 1 2 327.428 2.457 10 30 EEEELO C=C[C@@](C)(O)CC(=O)N[C@@]1(C)CC[N@H+](Cc2csc(C3CC3)n2)C1 ZINC001270576344 1185182406 /nfs/dbraw/zinc/18/24/06/1185182406.db2.gz JRWWFXXAOMZXKR-ZWKOTPCHSA-N 1 2 349.500 2.428 10 30 EEEELO C=C[C@@](C)(O)CC(=O)N[C@@]1(C)CC[N@@H+](Cc2csc(C3CC3)n2)C1 ZINC001270576344 1185182411 /nfs/dbraw/zinc/18/24/11/1185182411.db2.gz JRWWFXXAOMZXKR-ZWKOTPCHSA-N 1 2 349.500 2.428 10 30 EEEELO C=C[C@H](C(=O)NC[C@H]1C[N@H+](CCOC(C)C)CCO1)c1ccccc1 ZINC001270701307 1185327708 /nfs/dbraw/zinc/32/77/08/1185327708.db2.gz QSCRMMKULWNMMF-OALUTQOASA-N 1 2 346.471 2.198 10 30 EEEELO C=C[C@H](C(=O)NC[C@H]1C[N@@H+](CCOC(C)C)CCO1)c1ccccc1 ZINC001270701307 1185327715 /nfs/dbraw/zinc/32/77/15/1185327715.db2.gz QSCRMMKULWNMMF-OALUTQOASA-N 1 2 346.471 2.198 10 30 EEEELO C=CCCC(=O)NCC1(C)CC[NH+](Cc2nnnn2C(C)(C)C)CC1 ZINC001270867265 1185547058 /nfs/dbraw/zinc/54/70/58/1185547058.db2.gz QMFDQNAICGYBOL-UHFFFAOYSA-N 1 2 348.495 2.113 10 30 EEEELO Cc1nc([C@@H](C)[NH+]2CCC(C)(CNC(=O)C#CC(C)C)CC2)no1 ZINC001270879775 1185599840 /nfs/dbraw/zinc/59/98/40/1185599840.db2.gz PUGUIFKYTKPIGI-CQSZACIVSA-N 1 2 332.448 2.317 10 30 EEEELO C=CCC(CC=C)C(=O)NC[C@@]1(C)CCC[N@@H+](Cc2cnn(C)n2)C1 ZINC001270966273 1185778606 /nfs/dbraw/zinc/77/86/06/1185778606.db2.gz WWLNTUJAMZFMMI-LJQANCHMSA-N 1 2 345.491 2.302 10 30 EEEELO C=CCC(CC=C)C(=O)NC[C@@]1(C)CCC[N@H+](Cc2cnn(C)n2)C1 ZINC001270966273 1185778608 /nfs/dbraw/zinc/77/86/08/1185778608.db2.gz WWLNTUJAMZFMMI-LJQANCHMSA-N 1 2 345.491 2.302 10 30 EEEELO C=C(C)C[NH+]1CC(O)(CNC(=O)[C@@H](C)c2ccc(Cl)s2)C1 ZINC001271373185 1186168441 /nfs/dbraw/zinc/16/84/41/1186168441.db2.gz BGTPDSCLLXJKIE-NSHDSACASA-N 1 2 328.865 2.244 10 30 EEEELO C#CCCCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1noc(C(C)C)n1)C2 ZINC001271414088 1186201001 /nfs/dbraw/zinc/20/10/01/1186201001.db2.gz IHCCYIJPVXYECD-JYJNAYRXSA-N 1 2 344.459 2.466 10 30 EEEELO C#CCCCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1noc(C(C)C)n1)C2 ZINC001271414088 1186201005 /nfs/dbraw/zinc/20/10/05/1186201005.db2.gz IHCCYIJPVXYECD-JYJNAYRXSA-N 1 2 344.459 2.466 10 30 EEEELO C=C1CC(C)(C(=O)NC[C@H]2COCC[N@@H+]2CC2CC(F)(F)C2)C1 ZINC001280414467 1186370462 /nfs/dbraw/zinc/37/04/62/1186370462.db2.gz ADNDMBLKFCFSRV-AWEZNQCLSA-N 1 2 328.403 2.205 10 30 EEEELO C=C1CC(C)(C(=O)NC[C@H]2COCC[N@H+]2CC2CC(F)(F)C2)C1 ZINC001280414467 1186370466 /nfs/dbraw/zinc/37/04/66/1186370466.db2.gz ADNDMBLKFCFSRV-AWEZNQCLSA-N 1 2 328.403 2.205 10 30 EEEELO C=C(C)[C@@H](CC(=O)N[C@@]1(CO)CCC[N@H+](CC(=C)Cl)C1)OCC ZINC001271966243 1186722000 /nfs/dbraw/zinc/72/20/00/1186722000.db2.gz SUKVCJFEJSEGNM-WBVHZDCISA-N 1 2 344.883 2.053 10 30 EEEELO C=C(C)[C@@H](CC(=O)N[C@@]1(CO)CCC[N@@H+](CC(=C)Cl)C1)OCC ZINC001271966243 1186722007 /nfs/dbraw/zinc/72/20/07/1186722007.db2.gz SUKVCJFEJSEGNM-WBVHZDCISA-N 1 2 344.883 2.053 10 30 EEEELO C#CCO[C@@H](C)C(=O)N(C)CC[N@H+](C)Cc1cc(F)ccc1Cl ZINC001272014223 1186960512 /nfs/dbraw/zinc/96/05/12/1186960512.db2.gz YJSKEZUOKWGUKC-ZDUSSCGKSA-N 1 2 340.826 2.408 10 30 EEEELO C#CCO[C@@H](C)C(=O)N(C)CC[N@@H+](C)Cc1cc(F)ccc1Cl ZINC001272014223 1186960516 /nfs/dbraw/zinc/96/05/16/1186960516.db2.gz YJSKEZUOKWGUKC-ZDUSSCGKSA-N 1 2 340.826 2.408 10 30 EEEELO Cc1cccc(NC(=O)C[N@@H+](C)CCN(C)C(=O)C#CC2CC2)c1C ZINC001482595491 1187252688 /nfs/dbraw/zinc/25/26/88/1187252688.db2.gz QLOLQEWYCQGWOZ-UHFFFAOYSA-N 1 2 341.455 2.046 10 30 EEEELO Cc1cccc(NC(=O)C[N@H+](C)CCN(C)C(=O)C#CC2CC2)c1C ZINC001482595491 1187252693 /nfs/dbraw/zinc/25/26/93/1187252693.db2.gz QLOLQEWYCQGWOZ-UHFFFAOYSA-N 1 2 341.455 2.046 10 30 EEEELO CO[C@H](C(=O)N(C)CC[N@H+](C)Cc1ccc(C#N)cc1F)C(C)C ZINC001482625466 1187451095 /nfs/dbraw/zinc/45/10/95/1187451095.db2.gz WRZGSPCXVXEYPL-KRWDZBQOSA-N 1 2 335.423 2.259 10 30 EEEELO CO[C@H](C(=O)N(C)CC[N@@H+](C)Cc1ccc(C#N)cc1F)C(C)C ZINC001482625466 1187451098 /nfs/dbraw/zinc/45/10/98/1187451098.db2.gz WRZGSPCXVXEYPL-KRWDZBQOSA-N 1 2 335.423 2.259 10 30 EEEELO C=CCC1(C(=O)N2CCN(C(=O)Cn3cc[nH+]c3)CC2)CCCCC1 ZINC001719989871 1187956777 /nfs/dbraw/zinc/95/67/77/1187956777.db2.gz RWSPUOVXASJXBX-UHFFFAOYSA-N 1 2 344.459 2.081 10 30 EEEELO C[C@@H](C#N)C(=O)NC/C=C/C[NH2+]Cc1ncc(-c2cccc(F)c2)o1 ZINC001482991071 1187968945 /nfs/dbraw/zinc/96/89/45/1187968945.db2.gz LYVZEPZXRAXFLP-IBUXWKBASA-N 1 2 342.374 2.402 10 30 EEEELO CCCCCCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCCCO1 ZINC001272850983 1193576370 /nfs/dbraw/zinc/57/63/70/1193576370.db2.gz LWPKHYHQKMXJEL-SJORKVTESA-N 1 2 326.481 2.343 10 30 EEEELO CCCCCCC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCCCO1 ZINC001272850983 1193576372 /nfs/dbraw/zinc/57/63/72/1193576372.db2.gz LWPKHYHQKMXJEL-SJORKVTESA-N 1 2 326.481 2.343 10 30 EEEELO CC(C)C#CC(=O)NC[C@H]1COCC[N@@H+]1CCCCc1ccccc1 ZINC001272859818 1193581089 /nfs/dbraw/zinc/58/10/89/1193581089.db2.gz VANASKOURZCGBJ-FQEVSTJZSA-N 1 2 342.483 2.486 10 30 EEEELO CC(C)C#CC(=O)NC[C@H]1COCC[N@H+]1CCCCc1ccccc1 ZINC001272859818 1193581091 /nfs/dbraw/zinc/58/10/91/1193581091.db2.gz VANASKOURZCGBJ-FQEVSTJZSA-N 1 2 342.483 2.486 10 30 EEEELO C=C1CC(C)(C(=O)N(C)C[C@@H]2CC[N@@H+]2CCOCC(F)(F)F)C1 ZINC001691661230 1193611185 /nfs/dbraw/zinc/61/11/85/1193611185.db2.gz OQAOUYLCUAYBGY-ZDUSSCGKSA-N 1 2 334.382 2.454 10 30 EEEELO C=C1CC(C)(C(=O)N(C)C[C@@H]2CC[N@H+]2CCOCC(F)(F)F)C1 ZINC001691661230 1193611187 /nfs/dbraw/zinc/61/11/87/1193611187.db2.gz OQAOUYLCUAYBGY-ZDUSSCGKSA-N 1 2 334.382 2.454 10 30 EEEELO Cc1ccn(C[N@@H+]2CCC[C@H](Cc3nccs3)C2)c(=O)c1C#N ZINC000905735162 1189903985 /nfs/dbraw/zinc/90/39/85/1189903985.db2.gz UCMOXNBUSPGRCQ-CQSZACIVSA-N 1 2 328.441 2.397 10 30 EEEELO Cc1ccn(C[N@H+]2CCC[C@H](Cc3nccs3)C2)c(=O)c1C#N ZINC000905735162 1189903987 /nfs/dbraw/zinc/90/39/87/1189903987.db2.gz UCMOXNBUSPGRCQ-CQSZACIVSA-N 1 2 328.441 2.397 10 30 EEEELO C#Cc1ccccc1CC(=O)N(C)C[C@@H](C)[NH2+][C@@H](C)c1nnc(C)o1 ZINC001485949672 1193646063 /nfs/dbraw/zinc/64/60/63/1193646063.db2.gz TYZAHGFAUAXYBJ-KGLIPLIRSA-N 1 2 340.427 2.100 10 30 EEEELO CCc1n[nH]cc1C(=O)NC[C@H](C)[N@H+](C)Cc1cc(F)ccc1C#N ZINC001409570314 1190050845 /nfs/dbraw/zinc/05/08/45/1190050845.db2.gz SRDDWAIEOIXOSL-LBPRGKRZSA-N 1 2 343.406 2.233 10 30 EEEELO CCc1n[nH]cc1C(=O)NC[C@H](C)[N@@H+](C)Cc1cc(F)ccc1C#N ZINC001409570314 1190050849 /nfs/dbraw/zinc/05/08/49/1190050849.db2.gz SRDDWAIEOIXOSL-LBPRGKRZSA-N 1 2 343.406 2.233 10 30 EEEELO C[C@@H]1[C@H]([NH2+]Cc2nc(C3CCC3)no2)CCN1C(=O)C#CC(C)(C)C ZINC001486077653 1193681879 /nfs/dbraw/zinc/68/18/79/1193681879.db2.gz BDEBEHALCCWGGT-UKRRQHHQSA-N 1 2 344.459 2.466 10 30 EEEELO C[C@@H](OCC1CC1)C(=O)NC[C@@H]1CC[N@@H+]1Cc1cccc(C#N)c1 ZINC001483636627 1190698827 /nfs/dbraw/zinc/69/88/27/1190698827.db2.gz VJVNKMMDOVOSKJ-KDOFPFPSSA-N 1 2 327.428 2.064 10 30 EEEELO C[C@@H](OCC1CC1)C(=O)NC[C@@H]1CC[N@H+]1Cc1cccc(C#N)c1 ZINC001483636627 1190698829 /nfs/dbraw/zinc/69/88/29/1190698829.db2.gz VJVNKMMDOVOSKJ-KDOFPFPSSA-N 1 2 327.428 2.064 10 30 EEEELO CCCCc1ccc(CC(=O)NC[C@@H]2CC[N@@H+]2CC#CCOC)cc1 ZINC001483666958 1190726387 /nfs/dbraw/zinc/72/63/87/1190726387.db2.gz WVJSCDTWIWRMKC-FQEVSTJZSA-N 1 2 342.483 2.412 10 30 EEEELO CCCCc1ccc(CC(=O)NC[C@@H]2CC[N@H+]2CC#CCOC)cc1 ZINC001483666958 1190726388 /nfs/dbraw/zinc/72/63/88/1190726388.db2.gz WVJSCDTWIWRMKC-FQEVSTJZSA-N 1 2 342.483 2.412 10 30 EEEELO C=CCCCC(=O)NC[C@H]1CC[N@H+]1[C@H](C)C(=O)N1CCCCCC1 ZINC001483677257 1190736789 /nfs/dbraw/zinc/73/67/89/1190736789.db2.gz SMPJVCZIEHKQCP-IAGOWNOFSA-N 1 2 335.492 2.324 10 30 EEEELO C=CCCCC(=O)NC[C@H]1CC[N@@H+]1[C@H](C)C(=O)N1CCCCCC1 ZINC001483677257 1190736791 /nfs/dbraw/zinc/73/67/91/1190736791.db2.gz SMPJVCZIEHKQCP-IAGOWNOFSA-N 1 2 335.492 2.324 10 30 EEEELO C#CCCCC(=O)NCC1([NH2+]Cc2nc(-c3ccsc3)no2)CC1 ZINC001483730003 1190834063 /nfs/dbraw/zinc/83/40/63/1190834063.db2.gz BRJATFWSPUXKJB-UHFFFAOYSA-N 1 2 344.440 2.340 10 30 EEEELO C=CCCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCO[C@@H]1CC1(F)F ZINC001483822596 1191073972 /nfs/dbraw/zinc/07/39/72/1191073972.db2.gz HFWDDPCMPOHVSL-QLFBSQMISA-N 1 2 328.403 2.442 10 30 EEEELO C=CCCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCO[C@@H]1CC1(F)F ZINC001483822596 1191073974 /nfs/dbraw/zinc/07/39/74/1191073974.db2.gz HFWDDPCMPOHVSL-QLFBSQMISA-N 1 2 328.403 2.442 10 30 EEEELO C=C(C)[C@@H](CC(=O)N(C)C1C[NH+](CCc2ccns2)C1)OCC ZINC001483866266 1191097615 /nfs/dbraw/zinc/09/76/15/1191097615.db2.gz QGJLGFRFTHRZBC-MRXNPFEDSA-N 1 2 337.489 2.200 10 30 EEEELO C#CCN(C(=O)[C@H](C)CCC)C1CC[NH+](Cc2cn(CC)nn2)CC1 ZINC001483982246 1191140778 /nfs/dbraw/zinc/14/07/78/1191140778.db2.gz NTJNXAVLLULAIP-MRXNPFEDSA-N 1 2 345.491 2.160 10 30 EEEELO C=C(Br)C[N@H+]1CC[C@](C)(NC(=O)CC[C@H]2CCOC2)C1 ZINC001484039018 1191170148 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10 30 EEEELO CN(CCC[N@H+](C)Cc1ncc(Cl)n1C)C(=O)C#CC(C)(C)C ZINC001484742090 1191494320 /nfs/dbraw/zinc/49/43/20/1191494320.db2.gz PIGIWQSQYQFIFL-UHFFFAOYSA-N 1 2 338.883 2.403 10 30 EEEELO CN(CCC[N@@H+](C)Cc1ncc(Cl)n1C)C(=O)C#CC(C)(C)C ZINC001484742090 1191494321 /nfs/dbraw/zinc/49/43/21/1191494321.db2.gz PIGIWQSQYQFIFL-UHFFFAOYSA-N 1 2 338.883 2.403 10 30 EEEELO C=C[C@H](CC)CC(=O)N1CCC[C@]2(CC[N@H+](Cc3nncn3C)C2)C1 ZINC001484829254 1191537440 /nfs/dbraw/zinc/53/74/40/1191537440.db2.gz GRHJGQSBYKDYNU-VQIMIIECSA-N 1 2 345.491 2.232 10 30 EEEELO C=C[C@H](CC)CC(=O)N1CCC[C@]2(CC[N@@H+](Cc3nncn3C)C2)C1 ZINC001484829254 1191537441 /nfs/dbraw/zinc/53/74/41/1191537441.db2.gz GRHJGQSBYKDYNU-VQIMIIECSA-N 1 2 345.491 2.232 10 30 EEEELO C=CC(C)(C)C(=O)N[C@H]1CC[N@H+](Cc2cn(CC3CC3)nn2)[C@@H](C)C1 ZINC001484977100 1191604878 /nfs/dbraw/zinc/60/48/78/1191604878.db2.gz PWRNXDCFLYFJMU-HOCLYGCPSA-N 1 2 345.491 2.369 10 30 EEEELO C=CC(C)(C)C(=O)N[C@H]1CC[N@@H+](Cc2cn(CC3CC3)nn2)[C@@H](C)C1 ZINC001484977100 1191604880 /nfs/dbraw/zinc/60/48/80/1191604880.db2.gz PWRNXDCFLYFJMU-HOCLYGCPSA-N 1 2 345.491 2.369 10 30 EEEELO O=C(NC1CC(C[NH2+]CC#Cc2ccccc2)C1)C(F)C(F)(F)F ZINC001485092289 1191653072 /nfs/dbraw/zinc/65/30/72/1191653072.db2.gz NJRBYLPUJMIRRF-YMAMQOFZSA-N 1 2 342.336 2.423 10 30 EEEELO O=C(NC1CC(C[NH2+]CC#Cc2ccccc2)C1)[C@@H](F)C(F)(F)F ZINC001485092289 1191653073 /nfs/dbraw/zinc/65/30/73/1191653073.db2.gz NJRBYLPUJMIRRF-YMAMQOFZSA-N 1 2 342.336 2.423 10 30 EEEELO C#Cc1cccc(NC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)CCC(C)C)c1 ZINC001485273151 1191718336 /nfs/dbraw/zinc/71/83/36/1191718336.db2.gz GCFLDWCVVOHYPY-INIZCTEOSA-N 1 2 343.471 2.479 10 30 EEEELO C#Cc1cccc(NC(=O)C[N@H+](C)[C@@H](C)CNC(=O)CCC(C)C)c1 ZINC001485273151 1191718337 /nfs/dbraw/zinc/71/83/37/1191718337.db2.gz GCFLDWCVVOHYPY-INIZCTEOSA-N 1 2 343.471 2.479 10 30 EEEELO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)CCc1ccc(OC)nc1 ZINC001485329376 1191745663 /nfs/dbraw/zinc/74/56/63/1191745663.db2.gz SBZBYLPTBYONQG-ZDUSSCGKSA-N 1 2 325.840 2.212 10 30 EEEELO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)CCc1ccc(OC)nc1 ZINC001485329376 1191745665 /nfs/dbraw/zinc/74/56/65/1191745665.db2.gz SBZBYLPTBYONQG-ZDUSSCGKSA-N 1 2 325.840 2.212 10 30 EEEELO C#CCC[NH+]1CC(CCO)(NC(=O)c2ccc(C3CCC3)cc2)C1 ZINC001485405945 1191778341 /nfs/dbraw/zinc/77/83/41/1191778341.db2.gz AKRDTKZOGTTYOB-UHFFFAOYSA-N 1 2 326.440 2.144 10 30 EEEELO C#CCC[NH+]1CC(CCO)(NC(=O)c2ccc(Cl)c(CCC)c2)C1 ZINC001485421770 1191781824 /nfs/dbraw/zinc/78/18/24/1191781824.db2.gz FBPMMJABPZKMPL-UHFFFAOYSA-N 1 2 348.874 2.482 10 30 EEEELO C=C[C@@H](CC)CC(=O)N(C)C[C@@H]1CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001486557656 1194073246 /nfs/dbraw/zinc/07/32/46/1194073246.db2.gz XKVJJMKFERFSCE-RDJZCZTQSA-N 1 2 346.475 2.394 10 30 EEEELO C=C[C@@H](CC)CC(=O)N(C)C[C@@H]1CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001486557656 1194073249 /nfs/dbraw/zinc/07/32/49/1194073249.db2.gz XKVJJMKFERFSCE-RDJZCZTQSA-N 1 2 346.475 2.394 10 30 EEEELO C=CCC(C)(C)C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1cnc(OC)nc1C ZINC001691666041 1194303299 /nfs/dbraw/zinc/30/32/99/1194303299.db2.gz PXXQMNBFUMMAQG-INIZCTEOSA-N 1 2 346.475 2.429 10 30 EEEELO C=CCC(C)(C)C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1cnc(OC)nc1C ZINC001691666041 1194303303 /nfs/dbraw/zinc/30/33/03/1194303303.db2.gz PXXQMNBFUMMAQG-INIZCTEOSA-N 1 2 346.475 2.429 10 30 EEEELO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)C2(NC(C)=O)CCCC2)C(C)(C)C1 ZINC001410025232 1197436563 /nfs/dbraw/zinc/43/65/63/1197436563.db2.gz NNKIYMRJMZIKBF-CQSZACIVSA-N 1 2 341.883 2.014 10 30 EEEELO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)C2(NC(C)=O)CCCC2)C(C)(C)C1 ZINC001410025232 1197436565 /nfs/dbraw/zinc/43/65/65/1197436565.db2.gz NNKIYMRJMZIKBF-CQSZACIVSA-N 1 2 341.883 2.014 10 30 EEEELO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CCNC(=O)CC(C)C)C(C)(C)C1 ZINC001410028600 1197466636 /nfs/dbraw/zinc/46/66/36/1197466636.db2.gz HCYKIEQQKDYBKD-AWEZNQCLSA-N 1 2 343.899 2.118 10 30 EEEELO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CCNC(=O)CC(C)C)C(C)(C)C1 ZINC001410028600 1197466638 /nfs/dbraw/zinc/46/66/38/1197466638.db2.gz HCYKIEQQKDYBKD-AWEZNQCLSA-N 1 2 343.899 2.118 10 30 EEEELO C#CCC[NH+]1CCN(C(=O)[C@@H](C)CC(=O)c2ccc(F)cc2)CC1 ZINC000865086084 1198079422 /nfs/dbraw/zinc/07/94/22/1198079422.db2.gz SPQQKFQPQDQXFC-HNNXBMFYSA-N 1 2 330.403 2.202 10 30 EEEELO C=C(C)CCC(=O)N1CCC2(CCN(C(=O)Cc3c[nH+]c[nH]3)C2)CC1 ZINC001746558362 1198130509 /nfs/dbraw/zinc/13/05/09/1198130509.db2.gz BRQHANQIXYGCHX-UHFFFAOYSA-N 1 2 344.459 2.150 10 30 EEEELO CC(C)c1nnc(C[N@@H+]2CCC[C@@H](NC(=O)C#CC(C)(C)C)CC2)[nH]1 ZINC001273418896 1198758078 /nfs/dbraw/zinc/75/80/78/1198758078.db2.gz QXVPGDSOUWRHNI-OAHLLOKOSA-N 1 2 345.491 2.448 10 30 EEEELO CC(C)c1nnc(C[N@H+]2CCC[C@@H](NC(=O)C#CC(C)(C)C)CC2)[nH]1 ZINC001273418896 1198758081 /nfs/dbraw/zinc/75/80/81/1198758081.db2.gz QXVPGDSOUWRHNI-OAHLLOKOSA-N 1 2 345.491 2.448 10 30 EEEELO C#C[C@H]1CC[C@H](NC(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000874373228 1198876465 /nfs/dbraw/zinc/87/64/65/1198876465.db2.gz LLZQNVDQPNJXQP-SHTZXODSSA-N 1 2 336.395 2.119 10 30 EEEELO C#CC[C@H](COC)NC(=O)Nc1ccc2c(cc[nH+]c2N(C)C)c1 ZINC000879719442 1201225447 /nfs/dbraw/zinc/22/54/47/1201225447.db2.gz NMZMLHJSHGAKJI-OAHLLOKOSA-N 1 2 326.400 2.461 10 30 EEEELO Cc1ccc(C#N)c(NC2CC[NH+](CC(=O)OC(C)(C)C)CC2)n1 ZINC000866169093 1201453404 /nfs/dbraw/zinc/45/34/04/1201453404.db2.gz ALJJLKVGSNEKRG-UHFFFAOYSA-N 1 2 330.432 2.480 10 30 EEEELO C[C@H]([NH2+]C[C@H]1CCC2(CCOCC2)[C@@H]1O)c1cccc(C#N)c1O ZINC000866355200 1201498839 /nfs/dbraw/zinc/49/88/39/1201498839.db2.gz VOBHSNJGAGYCEU-JCKWVBRZSA-N 1 2 330.428 2.482 10 30 EEEELO C#CCOc1ccc(Br)cc1C[NH2+]Cc1ccn(C)n1 ZINC000213165234 1201956762 /nfs/dbraw/zinc/95/67/62/1201956762.db2.gz VZCIRHZQOBTZSV-UHFFFAOYSA-N 1 2 334.217 2.484 10 30 EEEELO COc1ccc(C(N)=[NH+]OCc2noc(-c3scnc3C)n2)cc1 ZINC000131041057 1202017384 /nfs/dbraw/zinc/01/73/84/1202017384.db2.gz KCUOMXCFKUJNAK-UHFFFAOYSA-N 1 2 345.384 2.347 10 30 EEEELO C=CCCC(=O)N[C@@H]1CC[N@H+](Cc2ncnn2C(C)(C)C)[C@H](C)C1 ZINC001274595446 1205091214 /nfs/dbraw/zinc/09/12/14/1205091214.db2.gz BASGFZRLZYXOFS-HUUCEWRRSA-N 1 2 333.480 2.468 10 30 EEEELO C=CCCC(=O)N[C@@H]1CC[N@@H+](Cc2ncnn2C(C)(C)C)[C@H](C)C1 ZINC001274595446 1205091217 /nfs/dbraw/zinc/09/12/17/1205091217.db2.gz BASGFZRLZYXOFS-HUUCEWRRSA-N 1 2 333.480 2.468 10 30 EEEELO C=CCC(C)(C)C(=O)N1CC(N(C)C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001299375016 1205148819 /nfs/dbraw/zinc/14/88/19/1205148819.db2.gz MMMAYSMYLQUFDX-UHFFFAOYSA-N 1 2 346.475 2.198 10 30 EEEELO C#Cc1ccccc1CC(=O)N[C@H](C)C[NH2+]Cc1nnc(C(C)C)o1 ZINC001275001373 1205231654 /nfs/dbraw/zinc/23/16/54/1205231654.db2.gz NNYFCHBSWZPBMU-CQSZACIVSA-N 1 2 340.427 2.011 10 30 EEEELO C=C[C@@](C)(O)CC(=O)N1CCC[C@H]1C[N@@H+](C)Cc1nc(C)cs1 ZINC001275100224 1205255973 /nfs/dbraw/zinc/25/59/73/1205255973.db2.gz HETXBPWVNZBQRN-WMLDXEAASA-N 1 2 337.489 2.201 10 30 EEEELO C=C[C@@](C)(O)CC(=O)N1CCC[C@H]1C[N@H+](C)Cc1nc(C)cs1 ZINC001275100224 1205255976 /nfs/dbraw/zinc/25/59/76/1205255976.db2.gz HETXBPWVNZBQRN-WMLDXEAASA-N 1 2 337.489 2.201 10 30 EEEELO Cn1c[nH+]cc1[C@H](CO)NC(=O)c1c(Cl)cc(C#N)cc1Cl ZINC001412377235 1205707541 /nfs/dbraw/zinc/70/75/41/1205707541.db2.gz QTUWOSJSWAUGBS-NSHDSACASA-N 1 2 339.182 2.062 10 30 EEEELO C=C(C)CCC(=O)NC1(CCO)C[NH+](Cc2ccccc2N(C)C)C1 ZINC001276056252 1205755049 /nfs/dbraw/zinc/75/50/49/1205755049.db2.gz APOLGTBKAIBZCI-UHFFFAOYSA-N 1 2 345.487 2.162 10 30 EEEELO C=C(C)C(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1c[nH]c[nH+]1)C2 ZINC001490820904 1205863040 /nfs/dbraw/zinc/86/30/40/1205863040.db2.gz VPJDICYXTJXJLO-OAGGEKHMSA-N 1 2 344.459 2.193 10 30 EEEELO C=C(C)C(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1c[nH+]c[nH]1)C2 ZINC001490820904 1205863042 /nfs/dbraw/zinc/86/30/42/1205863042.db2.gz VPJDICYXTJXJLO-OAGGEKHMSA-N 1 2 344.459 2.193 10 30 EEEELO C=CCCO[C@H](C)C(=O)N[C@@H](C)C1C[NH+](Cc2ncc(C)s2)C1 ZINC001276350713 1213882536 /nfs/dbraw/zinc/88/25/36/1213882536.db2.gz NXHUQMJLAITRBH-UONOGXRCSA-N 1 2 337.489 2.369 10 30 EEEELO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CC[C@H](c3ncccn3)C2)C1=O ZINC001413065444 1230594767 /nfs/dbraw/zinc/59/47/67/1230594767.db2.gz FAPVRTCWOBTGHR-UONOGXRCSA-N 1 2 339.424 2.005 10 30 EEEELO N#Cc1ccsc1N1CC[C@@H]([N@H+]2CC[C@H](c3ncccn3)C2)C1=O ZINC001413065444 1230594770 /nfs/dbraw/zinc/59/47/70/1230594770.db2.gz FAPVRTCWOBTGHR-UONOGXRCSA-N 1 2 339.424 2.005 10 30 EEEELO C=CCc1ccc(OCC(=O)O[C@@H]2CC[N@H+](CCF)C2)c(OC)c1 ZINC000802245054 1237159456 /nfs/dbraw/zinc/15/94/56/1237159456.db2.gz ZDDMMOHPDZIIPX-OAHLLOKOSA-N 1 2 337.391 2.390 10 30 EEEELO C=CCc1ccc(OCC(=O)O[C@@H]2CC[N@@H+](CCF)C2)c(OC)c1 ZINC000802245054 1237159461 /nfs/dbraw/zinc/15/94/61/1237159461.db2.gz ZDDMMOHPDZIIPX-OAHLLOKOSA-N 1 2 337.391 2.390 10 30 EEEELO C=CCC(C)(C)C(=O)NC[C@@H]1CCCC[N@@H+]1CC(=O)NCC1CCC1 ZINC001491220128 1258800162 /nfs/dbraw/zinc/80/01/62/1258800162.db2.gz AYURWEKARZYHMV-KRWDZBQOSA-N 1 2 349.519 2.476 10 30 EEEELO C=CCC(C)(C)C(=O)NC[C@@H]1CCCC[N@H+]1CC(=O)NCC1CCC1 ZINC001491220128 1258800170 /nfs/dbraw/zinc/80/01/70/1258800170.db2.gz AYURWEKARZYHMV-KRWDZBQOSA-N 1 2 349.519 2.476 10 30 EEEELO C=C[C@H](CC)CC(=O)NC[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC001490347897 1291168387 /nfs/dbraw/zinc/16/83/87/1291168387.db2.gz ZQTPZISMKITQNW-BZUAXINKSA-N 1 2 346.475 2.155 10 30 EEEELO C=CC(C)(C)CC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC2CCC(C)CC2)C1 ZINC001490548192 1291421238 /nfs/dbraw/zinc/42/12/38/1291421238.db2.gz UIISTQXJSWZEOH-OFLPRAFFSA-N 1 2 349.519 2.474 10 30 EEEELO C=CC(C)(C)CC(=O)N[C@@H]1CC[N@H+](CC(=O)NC2CCC(C)CC2)C1 ZINC001490548192 1291421242 /nfs/dbraw/zinc/42/12/42/1291421242.db2.gz UIISTQXJSWZEOH-OFLPRAFFSA-N 1 2 349.519 2.474 10 30 EEEELO CCCCC1CCC(C(=O)NCC[NH+]2CCN(CC#N)CC2)CC1 ZINC001490515190 1291437383 /nfs/dbraw/zinc/43/73/83/1291437383.db2.gz NNADIIJDLMQGBL-UHFFFAOYSA-N 1 2 334.508 2.240 10 30 EEEELO C=CCCC(=O)N[C@@H]1CC12CC[NH+](Cc1nnc(C3CC3)o1)CC2 ZINC001490588325 1291485932 /nfs/dbraw/zinc/48/59/32/1291485932.db2.gz RUPVOVHQTSNYQM-CQSZACIVSA-N 1 2 330.432 2.384 10 30 EEEELO C=C[C@H](CC)CC(=O)N1CCC(N(C)C(=O)Cc2c[nH+]cn2C)CC1 ZINC001287369927 1327486406 /nfs/dbraw/zinc/48/64/06/1327486406.db2.gz JMPBGMHRTLCVFZ-OAHLLOKOSA-N 1 2 346.475 2.014 10 30 EEEELO CCCC[C@H](ON=C(C)C)C(=O)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000854727897 1292930958 /nfs/dbraw/zinc/93/09/58/1292930958.db2.gz NWKXRJHXMRDSCA-SJORKVTESA-N 1 2 339.480 2.281 10 30 EEEELO COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2ccc(C#N)o2)cc1 ZINC000862753940 1295950220 /nfs/dbraw/zinc/95/02/20/1295950220.db2.gz MEAGUELHEPLDPD-CQSZACIVSA-N 1 2 325.368 2.164 10 30 EEEELO COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)c2ccc(C#N)o2)cc1 ZINC000862753940 1295950226 /nfs/dbraw/zinc/95/02/26/1295950226.db2.gz MEAGUELHEPLDPD-CQSZACIVSA-N 1 2 325.368 2.164 10 30 EEEELO C#Cc1ccc(C(=O)N[C@H]2C[C@H](C[NH2+]CC(F)(F)C(F)F)C2)nc1 ZINC001277075606 1301165956 /nfs/dbraw/zinc/16/59/56/1301165956.db2.gz ZCJBJSXTQCBUTE-HAQNSBGRSA-N 1 2 343.324 2.061 10 30 EEEELO C=C(Br)C[N@H+](C)CCOCCNC(=O)[C@H]1CC1(C)C ZINC001277487739 1303635123 /nfs/dbraw/zinc/63/51/23/1303635123.db2.gz QHJNKXAVMCPDKB-GFCCVEGCSA-N 1 2 333.270 2.006 10 30 EEEELO C=C(Br)C[N@@H+](C)CCOCCNC(=O)[C@H]1CC1(C)C ZINC001277487739 1303635126 /nfs/dbraw/zinc/63/51/26/1303635126.db2.gz QHJNKXAVMCPDKB-GFCCVEGCSA-N 1 2 333.270 2.006 10 30 EEEELO C#CCN(C(=O)C1CCCC1)C1CC[NH+](Cc2ccn(C)n2)CC1 ZINC001278107503 1305963340 /nfs/dbraw/zinc/96/33/40/1305963340.db2.gz RSDYCQAPSDEFIO-UHFFFAOYSA-N 1 2 328.460 2.037 10 30 EEEELO C#CCN(C(=O)[C@@H](C)CCCC)C1CC[NH+](Cc2cn(C)nn2)CC1 ZINC001278144248 1306084197 /nfs/dbraw/zinc/08/41/97/1306084197.db2.gz HPTXCLKZCPFZFK-INIZCTEOSA-N 1 2 345.491 2.068 10 30 EEEELO C#CCN(C(=O)c1[nH]ccc1C)C1CC[NH+](Cc2ccon2)CC1 ZINC001278145070 1306090001 /nfs/dbraw/zinc/09/00/01/1306090001.db2.gz XCLIAYRKXAXKIB-UHFFFAOYSA-N 1 2 326.400 2.051 10 30 EEEELO C=C1CCC(C(=O)NC[C@H](CO)[NH2+]Cc2cc(C(C)(C)C)on2)CC1 ZINC001278145535 1306091731 /nfs/dbraw/zinc/09/17/31/1306091731.db2.gz ALGVOTXLKHFCHI-MRXNPFEDSA-N 1 2 349.475 2.285 10 30 EEEELO C=C[C@@H](CC)CC(=O)N[C@@]1(C)CC[N@H+](Cc2cncc(OC)n2)C1 ZINC001278420662 1310188474 /nfs/dbraw/zinc/18/84/74/1310188474.db2.gz NSGCKRSHEJKYKK-KSSFIOAISA-N 1 2 332.448 2.168 10 30 EEEELO C=C[C@@H](CC)CC(=O)N[C@@]1(C)CC[N@@H+](Cc2cncc(OC)n2)C1 ZINC001278420662 1310188477 /nfs/dbraw/zinc/18/84/77/1310188477.db2.gz NSGCKRSHEJKYKK-KSSFIOAISA-N 1 2 332.448 2.168 10 30 EEEELO C#Cc1ccc(C(=O)NC[C@@]2(C)CCC[N@H+](Cc3ccon3)C2)cn1 ZINC001278688730 1317736741 /nfs/dbraw/zinc/73/67/41/1317736741.db2.gz YYIRVWICPKKHCC-LJQANCHMSA-N 1 2 338.411 2.083 10 30 EEEELO C#Cc1ccc(C(=O)NC[C@@]2(C)CCC[N@@H+](Cc3ccon3)C2)cn1 ZINC001278688730 1317736743 /nfs/dbraw/zinc/73/67/43/1317736743.db2.gz YYIRVWICPKKHCC-LJQANCHMSA-N 1 2 338.411 2.083 10 30 EEEELO C#Cc1ccc(C(=O)N2CC3(C2)CC[N@@H+](Cc2cc(C)on2)C3)cc1 ZINC001253538434 1317879202 /nfs/dbraw/zinc/87/92/02/1317879202.db2.gz FQKFWUCOSFLWAO-UHFFFAOYSA-N 1 2 335.407 2.312 10 30 EEEELO C#Cc1ccc(C(=O)N2CC3(C2)CC[N@H+](Cc2cc(C)on2)C3)cc1 ZINC001253538434 1317879204 /nfs/dbraw/zinc/87/92/04/1317879204.db2.gz FQKFWUCOSFLWAO-UHFFFAOYSA-N 1 2 335.407 2.312 10 30 EEEELO C=C1CCC(C(=O)N(C)C[C@@H](O)C[N@@H+](C)[C@@H](C)c2ncccn2)CC1 ZINC001278874148 1318480265 /nfs/dbraw/zinc/48/02/65/1318480265.db2.gz UVDBCSKUQDCKFH-RDJZCZTQSA-N 1 2 346.475 2.035 10 30 EEEELO C=C1CCC(C(=O)N(C)C[C@@H](O)C[N@H+](C)[C@@H](C)c2ncccn2)CC1 ZINC001278874148 1318480270 /nfs/dbraw/zinc/48/02/70/1318480270.db2.gz UVDBCSKUQDCKFH-RDJZCZTQSA-N 1 2 346.475 2.035 10 30 EEEELO C#CCNC(=O)C[N@@H+](C)CCN(C(=O)[C@H]1CCCC[C@@H]1CC)C(C)C ZINC001278926783 1318704919 /nfs/dbraw/zinc/70/49/19/1318704919.db2.gz YTBFPELGHBEFPL-ROUUACIJSA-N 1 2 349.519 2.121 10 30 EEEELO C#CCNC(=O)C[N@H+](C)CCN(C(=O)[C@H]1CCCC[C@@H]1CC)C(C)C ZINC001278926783 1318704928 /nfs/dbraw/zinc/70/49/28/1318704928.db2.gz YTBFPELGHBEFPL-ROUUACIJSA-N 1 2 349.519 2.121 10 30 EEEELO C#CC[N@H+]1CCCN(C(=O)c2cc(-c3ccc(F)cc3)on2)CC1 ZINC001293713000 1328793493 /nfs/dbraw/zinc/79/34/93/1328793493.db2.gz NFHKUGMQXXVOPW-UHFFFAOYSA-N 1 2 327.359 2.262 10 30 EEEELO C#CC[N@@H+]1CCCN(C(=O)c2cc(-c3ccc(F)cc3)on2)CC1 ZINC001293713000 1328793498 /nfs/dbraw/zinc/79/34/98/1328793498.db2.gz NFHKUGMQXXVOPW-UHFFFAOYSA-N 1 2 327.359 2.262 10 30 EEEELO COCC[N@@H+](CC#Cc1ccccc1)CCNC(=O)C1=CCCC1 ZINC001279041247 1319071257 /nfs/dbraw/zinc/07/12/57/1319071257.db2.gz VEYXIWKYVLCUGH-UHFFFAOYSA-N 1 2 326.440 2.213 10 30 EEEELO COCC[N@H+](CC#Cc1ccccc1)CCNC(=O)C1=CCCC1 ZINC001279041247 1319071268 /nfs/dbraw/zinc/07/12/68/1319071268.db2.gz VEYXIWKYVLCUGH-UHFFFAOYSA-N 1 2 326.440 2.213 10 30 EEEELO C=C(C)C(C)(C)C(=O)N[C@H](C)C1C[NH+](Cc2ccnc(OC)n2)C1 ZINC001276413629 1321918300 /nfs/dbraw/zinc/91/83/00/1321918300.db2.gz GUSFCMVHOVKLGH-CYBMUJFWSA-N 1 2 332.448 2.024 10 30 EEEELO C=CCn1c(N(C)c2cccc(C)c2)nnc1[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001262988252 1322416266 /nfs/dbraw/zinc/41/62/66/1322416266.db2.gz ONSDDLYECXERKL-APWZRJJASA-N 1 2 341.459 2.452 10 30 EEEELO C=CCn1c(N(C)c2cccc(C)c2)nnc1[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC001262988252 1322416268 /nfs/dbraw/zinc/41/62/68/1322416268.db2.gz ONSDDLYECXERKL-APWZRJJASA-N 1 2 341.459 2.452 10 30 EEEELO C#Cc1ccccc1CC(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ocnc1C ZINC001263818668 1322525597 /nfs/dbraw/zinc/52/55/97/1322525597.db2.gz CORWZVREJFGDHV-GOSISDBHSA-N 1 2 337.423 2.240 10 30 EEEELO C#Cc1ccccc1CC(=O)N(C)C[C@H]1CC[N@H+]1Cc1ocnc1C ZINC001263818668 1322525601 /nfs/dbraw/zinc/52/56/01/1322525601.db2.gz CORWZVREJFGDHV-GOSISDBHSA-N 1 2 337.423 2.240 10 30 EEEELO C=CCNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)c1c(C)cc(C)cc1C ZINC001263818619 1322525936 /nfs/dbraw/zinc/52/59/36/1322525936.db2.gz BNCKANSIXJVIFJ-QGZVFWFLSA-N 1 2 343.471 2.060 10 30 EEEELO C=CCNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)c1c(C)cc(C)cc1C ZINC001263818619 1322525938 /nfs/dbraw/zinc/52/59/38/1322525938.db2.gz BNCKANSIXJVIFJ-QGZVFWFLSA-N 1 2 343.471 2.060 10 30 EEEELO Cc1n[nH]c(C(=O)NC[C@H]2C[C@H]([NH2+]CC#Cc3ccccc3)C2)c1C ZINC001263857344 1322538832 /nfs/dbraw/zinc/53/88/32/1322538832.db2.gz OPVFAUSFJKPJPP-IYARVYRRSA-N 1 2 336.439 2.176 10 30 EEEELO C=CCOCC(=O)N1CCCC[C@H]1C[N@@H+](C)Cc1nc(C)cs1 ZINC001264180412 1322650512 /nfs/dbraw/zinc/65/05/12/1322650512.db2.gz CMVSLUJMXOQIAW-HNNXBMFYSA-N 1 2 337.489 2.467 10 30 EEEELO C=CCOCC(=O)N1CCCC[C@H]1C[N@H+](C)Cc1nc(C)cs1 ZINC001264180412 1322650518 /nfs/dbraw/zinc/65/05/18/1322650518.db2.gz CMVSLUJMXOQIAW-HNNXBMFYSA-N 1 2 337.489 2.467 10 30 EEEELO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)C1CC1 ZINC001264368194 1322675498 /nfs/dbraw/zinc/67/54/98/1322675498.db2.gz ALRLNLYAIKHAIC-QGZVFWFLSA-N 1 2 349.519 2.380 10 30 EEEELO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)C1CC1 ZINC001264368194 1322675504 /nfs/dbraw/zinc/67/55/04/1322675504.db2.gz ALRLNLYAIKHAIC-QGZVFWFLSA-N 1 2 349.519 2.380 10 30 EEEELO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@]1(C)C=CCC1 ZINC001264369404 1322677355 /nfs/dbraw/zinc/67/73/55/1322677355.db2.gz VWLOGOMJGNOGKX-YLJYHZDGSA-N 1 2 345.487 2.076 10 30 EEEELO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@]1(C)C=CCC1 ZINC001264369404 1322677362 /nfs/dbraw/zinc/67/73/62/1322677362.db2.gz VWLOGOMJGNOGKX-YLJYHZDGSA-N 1 2 345.487 2.076 10 30 EEEELO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC12CCC2 ZINC001264373525 1322679346 /nfs/dbraw/zinc/67/93/46/1322679346.db2.gz WJYCKMKKSDQBNE-IRXDYDNUSA-N 1 2 347.503 2.134 10 30 EEEELO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC12CCC2 ZINC001264373525 1322679351 /nfs/dbraw/zinc/67/93/51/1322679351.db2.gz WJYCKMKKSDQBNE-IRXDYDNUSA-N 1 2 347.503 2.134 10 30 EEEELO C=CCCC(=O)N[C@@H]1[C@@H]2CCC[N@@H+](Cc3ncnn3CC)[C@H]2C1(C)C ZINC001264587205 1322741951 /nfs/dbraw/zinc/74/19/51/1322741951.db2.gz YQARALGQKDFMFM-BMGDILEWSA-N 1 2 345.491 2.369 10 30 EEEELO C=CCCC(=O)N[C@@H]1[C@@H]2CCC[N@H+](Cc3ncnn3CC)[C@H]2C1(C)C ZINC001264587205 1322741954 /nfs/dbraw/zinc/74/19/54/1322741954.db2.gz YQARALGQKDFMFM-BMGDILEWSA-N 1 2 345.491 2.369 10 30 EEEELO C=C[C@H](CC)CC(=O)N[C@H]1CC[N@H+](Cc2cnn(CC)n2)[C@@H]1CC ZINC001264616005 1322751582 /nfs/dbraw/zinc/75/15/82/1322751582.db2.gz LYWYGPYETSDBSP-HYVNUMGLSA-N 1 2 333.480 2.369 10 30 EEEELO C=C[C@H](CC)CC(=O)N[C@H]1CC[N@@H+](Cc2cnn(CC)n2)[C@@H]1CC ZINC001264616005 1322751585 /nfs/dbraw/zinc/75/15/85/1322751585.db2.gz LYWYGPYETSDBSP-HYVNUMGLSA-N 1 2 333.480 2.369 10 30 EEEELO CC(C)C#CC(=O)N[C@H]1CC[N@H+](Cc2noc3c2CCCC3)[C@@H]1C ZINC001264699907 1322787619 /nfs/dbraw/zinc/78/76/19/1322787619.db2.gz LABPJQBLFKJDMW-ZBFHGGJFSA-N 1 2 329.444 2.292 10 30 EEEELO CC(C)C#CC(=O)N[C@H]1CC[N@@H+](Cc2noc3c2CCCC3)[C@@H]1C ZINC001264699907 1322787622 /nfs/dbraw/zinc/78/76/22/1322787622.db2.gz LABPJQBLFKJDMW-ZBFHGGJFSA-N 1 2 329.444 2.292 10 30 EEEELO C=CCNC(=O)[C@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1C=CCCC1 ZINC001265408318 1323136120 /nfs/dbraw/zinc/13/61/20/1323136120.db2.gz FELVDJZYBFAAKS-XLAORIBOSA-N 1 2 345.487 2.099 10 30 EEEELO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1C=CCCC1 ZINC001265408318 1323136127 /nfs/dbraw/zinc/13/61/27/1323136127.db2.gz 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340.423 2.222 10 30 EEEELO C=CC(C)(C)CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H](C)C(=O)NC(C)(C)C ZINC001318201951 1332487039 /nfs/dbraw/zinc/48/70/39/1332487039.db2.gz WYIFYWCTQWJPSQ-ILXRZTDVSA-N 1 2 335.492 2.177 10 30 EEEELO C=CC(C)(C)CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H](C)C(=O)NC(C)(C)C ZINC001318201951 1332487042 /nfs/dbraw/zinc/48/70/42/1332487042.db2.gz WYIFYWCTQWJPSQ-ILXRZTDVSA-N 1 2 335.492 2.177 10 30 EEEELO Cc1nc([C@H](C)[N@@H+]2CCC3(C2)CCN(C(=O)C#CC(C)C)CC3)no1 ZINC001319141723 1332656035 /nfs/dbraw/zinc/65/60/35/1332656035.db2.gz HRQPPGMSFRMLOG-HNNXBMFYSA-N 1 2 344.459 2.413 10 30 EEEELO Cc1nc([C@H](C)[N@H+]2CCC3(C2)CCN(C(=O)C#CC(C)C)CC3)no1 ZINC001319141723 1332656037 /nfs/dbraw/zinc/65/60/37/1332656037.db2.gz HRQPPGMSFRMLOG-HNNXBMFYSA-N 1 2 344.459 2.413 10 30 EEEELO C=CC[N@@H+]1CCO[C@H](CNC(=O)CCc2ccc3[nH]ccc3c2)C1 ZINC001319319459 1332683465 /nfs/dbraw/zinc/68/34/65/1332683465.db2.gz UHFICSNOQQORIH-QGZVFWFLSA-N 1 2 327.428 2.104 10 30 EEEELO C=CC[N@H+]1CCO[C@H](CNC(=O)CCc2ccc3[nH]ccc3c2)C1 ZINC001319319459 1332683470 /nfs/dbraw/zinc/68/34/70/1332683470.db2.gz UHFICSNOQQORIH-QGZVFWFLSA-N 1 2 327.428 2.104 10 30 EEEELO C=CC[N@@H+]1CCO[C@H](CNC(=O)Cc2coc3cc(C)ccc23)C1 ZINC001319333644 1332687510 /nfs/dbraw/zinc/68/75/10/1332687510.db2.gz SNSAYYXWWCIRAM-MRXNPFEDSA-N 1 2 328.412 2.287 10 30 EEEELO C=CC[N@H+]1CCO[C@H](CNC(=O)Cc2coc3cc(C)ccc23)C1 ZINC001319333644 1332687512 /nfs/dbraw/zinc/68/75/12/1332687512.db2.gz SNSAYYXWWCIRAM-MRXNPFEDSA-N 1 2 328.412 2.287 10 30 EEEELO C=C(C)C(C)(C)C(=O)N(C)[C@H](C)C[NH2+][C@@H](C)c1nc(COC)no1 ZINC001319508140 1332712883 /nfs/dbraw/zinc/71/28/83/1332712883.db2.gz AVZQKYTYNUAPKB-OLZOCXBDSA-N 1 2 338.452 2.316 10 30 EEEELO C=C(C)CCC(=O)NC[C@H]([NH2+]Cc1nnn(C(C)(C)C)n1)C(C)C ZINC001319915849 1332796893 /nfs/dbraw/zinc/79/68/93/1332796893.db2.gz MBEQKCYXUPHDNO-AWEZNQCLSA-N 1 2 336.484 2.015 10 30 EEEELO C[C@H](C[N@H+](C)Cc1cc(O)ccc1Cl)NC(=O)CSCC#N ZINC001322115754 1333211751 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ZINC001323335139 1333442863 /nfs/dbraw/zinc/44/28/63/1333442863.db2.gz LSTFRNRNMPVIRE-SJORKVTESA-N 1 2 344.455 2.029 10 30 EEEELO CC(C)C[C@H](C(=O)N1CCC2(C1)CCN(CC#N)CC2)n1cc[nH+]c1 ZINC001323830873 1333548954 /nfs/dbraw/zinc/54/89/54/1333548954.db2.gz DKCKOBUBHDYIDX-QGZVFWFLSA-N 1 2 343.475 2.308 10 30 EEEELO C#CCN(C(=O)CC(C)(C)C)C1CC[NH+](Cc2cn(CC)nn2)CC1 ZINC001324361515 1333665376 /nfs/dbraw/zinc/66/53/76/1333665376.db2.gz CMRYTIPFMPBBGB-UHFFFAOYSA-N 1 2 345.491 2.160 10 30 EEEELO C#CCN(C(=O)[C@H]1CC1(C)C)C1CC[NH+](Cc2nccc(C)n2)CC1 ZINC001324384782 1333671535 /nfs/dbraw/zinc/67/15/35/1333671535.db2.gz OGYXWJUGWOKSPH-QGZVFWFLSA-N 1 2 340.471 2.257 10 30 EEEELO C=C[C@](C)(O)CC(=O)N[C@@]1(C)CC[N@H+](Cc2cccc(Cl)n2)C1 ZINC001324606056 1333720002 /nfs/dbraw/zinc/72/00/02/1333720002.db2.gz GUPJXHHDWGJLHV-IRXDYDNUSA-N 1 2 337.851 2.143 10 30 EEEELO C=C[C@](C)(O)CC(=O)N[C@@]1(C)CC[N@@H+](Cc2cccc(Cl)n2)C1 ZINC001324606056 1333720005 /nfs/dbraw/zinc/72/00/05/1333720005.db2.gz 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CC(C)C#CC(=O)N[C@H]1CC[N@H+](Cc2nnc(C3CC3)o2)[C@H](C)C1 ZINC001328239044 1334422188 /nfs/dbraw/zinc/42/21/88/1334422188.db2.gz JBFUPPKBJSCEQV-HIFRSBDPSA-N 1 2 330.432 2.076 10 30 EEEELO CC(C)C#CC(=O)N[C@H]1CC[N@@H+](Cc2nnc(C3CC3)o2)[C@H](C)C1 ZINC001328239044 1334422189 /nfs/dbraw/zinc/42/21/89/1334422189.db2.gz JBFUPPKBJSCEQV-HIFRSBDPSA-N 1 2 330.432 2.076 10 30 EEEELO C=CCO[C@H]1CC[N@H+](CN2C(=O)C3(CCC3)[C@H]2c2cccnc2)C1 ZINC001328636517 1334492560 /nfs/dbraw/zinc/49/25/60/1334492560.db2.gz ZRSYYTUMWHAORX-DLBZAZTESA-N 1 2 327.428 2.370 10 30 EEEELO C=CCO[C@H]1CC[N@@H+](CN2C(=O)C3(CCC3)[C@H]2c2cccnc2)C1 ZINC001328636517 1334492565 /nfs/dbraw/zinc/49/25/65/1334492565.db2.gz ZRSYYTUMWHAORX-DLBZAZTESA-N 1 2 327.428 2.370 10 30 EEEELO CC(C)[C@@H](CCN(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1)NCC#N ZINC001329750602 1334707784 /nfs/dbraw/zinc/70/77/84/1334707784.db2.gz QTTSSNCAIXATBU-GOSISDBHSA-N 1 2 339.443 2.472 10 30 EEEELO C=C[C@](C)(O)CC(=O)N[C@H]1C[N@@H+](Cc2ncc(C)s2)CC1(C)C ZINC001330189021 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EEEELO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)Cc2cccc(C#N)c2)CC1 ZINC000531385350 468048872 /nfs/dbraw/zinc/04/88/72/468048872.db2.gz RLQOQOAVQAPCBY-MRXNPFEDSA-N 1 2 334.423 2.401 10 30 EEEELO CCc1cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)c2c(n1)onc2C(C)C ZINC000565603892 468134908 /nfs/dbraw/zinc/13/49/08/468134908.db2.gz NNEWODWXZPXXJV-SFHVURJKSA-N 1 2 343.431 2.482 10 30 EEEELO C[N@@H+]1CC[C@@H](NC(=O)c2cccc(C#N)n2)[C@@H]1c1ccc(F)c(F)c1 ZINC000589469261 468153749 /nfs/dbraw/zinc/15/37/49/468153749.db2.gz BEVSSTFOIZBAPV-WBVHZDCISA-N 1 2 342.349 2.407 10 30 EEEELO C[N@H+]1CC[C@@H](NC(=O)c2cccc(C#N)n2)[C@@H]1c1ccc(F)c(F)c1 ZINC000589469261 468153750 /nfs/dbraw/zinc/15/37/50/468153750.db2.gz BEVSSTFOIZBAPV-WBVHZDCISA-N 1 2 342.349 2.407 10 30 EEEELO COc1ccc(C)cc1C[NH+]1CCN(C(=O)CC2(C#N)CC2)CC1 ZINC000590130596 468217662 /nfs/dbraw/zinc/21/76/62/468217662.db2.gz XMPQBETVMWIQKJ-UHFFFAOYSA-N 1 2 327.428 2.342 10 30 EEEELO Cc1cc(C#N)ccc1C(=O)NCc1nc(C[NH+]2CCCCC2)no1 ZINC000590353912 468240312 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COc1ccc(CNC(=O)NCCCNc2cccc[nH+]2)cc1C#N ZINC000746727659 577933059 /nfs/dbraw/zinc/93/30/59/577933059.db2.gz GGQCGLALHRRYJR-UHFFFAOYSA-N 1 2 339.399 2.263 10 30 EEEELO N#Cc1cc(C[NH+]2CCN(Cc3ccc(Cl)nc3)CC2)ccn1 ZINC000749515266 577977553 /nfs/dbraw/zinc/97/75/53/577977553.db2.gz YKKJUBLIBUTJAI-UHFFFAOYSA-N 1 2 327.819 2.319 10 30 EEEELO CNS(=O)(=O)c1cccc(C(=O)/C=C\c2cccc3[nH+]ccn32)c1 ZINC000255492346 678249851 /nfs/dbraw/zinc/24/98/51/678249851.db2.gz OLYDEPWOBWTACR-HJWRWDBZSA-N 1 2 341.392 2.139 10 30 EEEELO C[C@@H](OC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)c1ccc(C#N)cc1 ZINC000923775903 679915602 /nfs/dbraw/zinc/91/56/02/679915602.db2.gz CEDYVXCWVVRPMT-OLMNPRSZSA-N 1 2 344.411 2.042 10 30 EEEELO C#CC1(O)CC[NH+](Cc2nc3sc4c(c3c(N)n2)CCCC4)CC1 ZINC000931147353 684788378 /nfs/dbraw/zinc/78/83/78/684788378.db2.gz XVRBLPQZGDDEIJ-UHFFFAOYSA-N 1 2 342.468 2.112 10 30 EEEELO Cc1c(C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cnn1CCC#N ZINC000896977854 686020966 /nfs/dbraw/zinc/02/09/66/686020966.db2.gz CUXUOPHVRDKTPX-CJNGLKHVSA-N 1 2 326.404 2.025 10 30 EEEELO C#Cc1ccc(C(=O)NC2CC[NH+](CC(=O)OC(C)(C)C)CC2)cc1 ZINC000899177070 693647799 /nfs/dbraw/zinc/64/77/99/693647799.db2.gz KUZGOLDVFMXREA-UHFFFAOYSA-N 1 2 342.439 2.204 10 30 EEEELO C=CCOCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)cc2F)CC1(C)C ZINC001485563350 1191843842 /nfs/dbraw/zinc/84/38/42/1191843842.db2.gz LTFMWMZWWQXTSW-MRXNPFEDSA-N 1 2 338.398 2.494 10 30 EEEELO C=CCOCC(=O)N[C@@H]1C[N@H+](Cc2ccc(F)cc2F)CC1(C)C ZINC001485563350 1191843844 /nfs/dbraw/zinc/84/38/44/1191843844.db2.gz LTFMWMZWWQXTSW-MRXNPFEDSA-N 1 2 338.398 2.494 10 30 EEEELO C=CCC[C@H](C(=O)N[C@H]1CC[N@@H+](CC(=O)NCC)C1)c1ccccc1 ZINC001266364132 1176415906 /nfs/dbraw/zinc/41/59/06/1176415906.db2.gz RUGPBZUBWKFYKC-ROUUACIJSA-N 1 2 343.471 2.063 10 30 EEEELO C=CCC[C@H](C(=O)N[C@H]1CC[N@H+](CC(=O)NCC)C1)c1ccccc1 ZINC001266364132 1176415912 /nfs/dbraw/zinc/41/59/12/1176415912.db2.gz RUGPBZUBWKFYKC-ROUUACIJSA-N 1 2 343.471 2.063 10 30 EEEELO 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ZINC001676877883 1357229190 /nfs/dbraw/zinc/22/91/90/1357229190.db2.gz AGRRQCVCJIVKDH-WBVHZDCISA-N 1 2 349.519 2.474 10 30 EEEELO C=C(C)C(C)(C)C(=O)N[C@H]1CCC[N@@H+](CC(=O)NCC2CCC2)[C@@H]1C ZINC001676877883 1357229192 /nfs/dbraw/zinc/22/91/92/1357229192.db2.gz AGRRQCVCJIVKDH-WBVHZDCISA-N 1 2 349.519 2.474 10 30 EEEELO C=C(C)CCC(=O)N[C@H](C)C1CC[NH+](CC(=O)Nc2ccon2)CC1 ZINC001677332413 1357314789 /nfs/dbraw/zinc/31/47/89/1357314789.db2.gz AUXNXHKZWAYCEK-CQSZACIVSA-N 1 2 348.447 2.186 10 30 EEEELO C#CCOCCC(=O)NCC1=CC[N@H+](Cc2nc(C)sc2C)CC1 ZINC001677562497 1357356885 /nfs/dbraw/zinc/35/68/85/1357356885.db2.gz KZCQNVLOCOLHFG-UHFFFAOYSA-N 1 2 347.484 2.048 10 30 EEEELO C#CCOCCC(=O)NCC1=CC[N@@H+](Cc2nc(C)sc2C)CC1 ZINC001677562497 1357356888 /nfs/dbraw/zinc/35/68/88/1357356888.db2.gz KZCQNVLOCOLHFG-UHFFFAOYSA-N 1 2 347.484 2.048 10 30 EEEELO C=C(Cl)C[N@H+]1CC=C(CNC(=O)CCOC[C@@H]2CCCO2)CC1 ZINC001677578385 1357361124 /nfs/dbraw/zinc/36/11/24/1357361124.db2.gz OCWKBBRVKSPCKU-INIZCTEOSA-N 1 2 342.867 2.073 10 30 EEEELO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)CCOC[C@@H]2CCCO2)CC1 ZINC001677578385 1357361129 /nfs/dbraw/zinc/36/11/29/1357361129.db2.gz OCWKBBRVKSPCKU-INIZCTEOSA-N 1 2 342.867 2.073 10 30 EEEELO C=CC(C)(C)C(=O)NC[C@H]1CCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001584759234 1348761199 /nfs/dbraw/zinc/76/11/99/1348761199.db2.gz NODTUAXRMXAKPV-CYBMUJFWSA-N 1 2 326.400 2.106 10 30 EEEELO C#CC[NH+]1CCN(c2nnc(C(C)(C)C)n2CCCSCC)CC1 ZINC001588741589 1348930947 /nfs/dbraw/zinc/93/09/47/1348930947.db2.gz FLLMPDQAYVSZFU-UHFFFAOYSA-N 1 2 349.548 2.474 10 30 EEEELO C#CC[NH+]1CCN(c2nnc(CC3CC3)n2C[C@H]2CC[C@@H](C)C2)CC1 ZINC001588857656 1348938934 /nfs/dbraw/zinc/93/89/34/1348938934.db2.gz QRZMZBFJRKCQMX-AEFFLSMTSA-N 1 2 341.503 2.422 10 30 EEEELO CCCC[C@@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)NC(=O)C#CC1CC1 ZINC001678536152 1357525856 /nfs/dbraw/zinc/52/58/56/1357525856.db2.gz DWSWJPNZFDQVES-RDJZCZTQSA-N 1 2 344.459 2.039 10 30 EEEELO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H](C)OCc1cccc(C)c1 ZINC001673054362 1354046022 /nfs/dbraw/zinc/04/60/22/1354046022.db2.gz FJWJUFUDDWHIIZ-HKUYNNGSSA-N 1 2 346.471 2.293 10 30 EEEELO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H](C)OCc1cccc(C)c1 ZINC001673054362 1354046024 /nfs/dbraw/zinc/04/60/24/1354046024.db2.gz FJWJUFUDDWHIIZ-HKUYNNGSSA-N 1 2 346.471 2.293 10 30 EEEELO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@H](C)OCc1cccc(C)c1 ZINC001673054369 1354046153 /nfs/dbraw/zinc/04/61/53/1354046153.db2.gz FJWJUFUDDWHIIZ-PKOBYXMFSA-N 1 2 346.471 2.293 10 30 EEEELO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H](C)OCc1cccc(C)c1 ZINC001673054369 1354046158 /nfs/dbraw/zinc/04/61/58/1354046158.db2.gz FJWJUFUDDWHIIZ-PKOBYXMFSA-N 1 2 346.471 2.293 10 30 EEEELO CC#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C(=O)C(C)(C)C)C1 ZINC001656248480 1354219086 /nfs/dbraw/zinc/21/90/86/1354219086.db2.gz NTRGDLIVXGBKDH-DLBZAZTESA-N 1 2 326.440 2.209 10 30 EEEELO CC#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C(=O)C(C)(C)C)C1 ZINC001656248480 1354219090 /nfs/dbraw/zinc/21/90/90/1354219090.db2.gz NTRGDLIVXGBKDH-DLBZAZTESA-N 1 2 326.440 2.209 10 30 EEEELO Cc1nc([C@@H](C)[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)C#CC(C)C)no1 ZINC001656538767 1354246292 /nfs/dbraw/zinc/24/62/92/1354246292.db2.gz QJVJIICQNNPLIY-FMKPAKJESA-N 1 2 332.448 2.315 10 30 EEEELO C#CCO[C@@H](C)C(=O)N[C@H]1CC[N@H+](C/C(Cl)=C\Cl)[C@@H]1CC ZINC001656707524 1354267154 /nfs/dbraw/zinc/26/71/54/1354267154.db2.gz HBQYVJBBKVTKAA-ARELFOCDSA-N 1 2 333.259 2.313 10 30 EEEELO C#CCO[C@@H](C)C(=O)N[C@H]1CC[N@@H+](C/C(Cl)=C\Cl)[C@@H]1CC ZINC001656707524 1354267157 /nfs/dbraw/zinc/26/71/57/1354267157.db2.gz HBQYVJBBKVTKAA-ARELFOCDSA-N 1 2 333.259 2.313 10 30 EEEELO C=CCCC(=O)N1C[C@@H]2C[N@H+](Cc3nc(CCC)no3)CC[C@@H]2C1 ZINC001656797606 1354279353 /nfs/dbraw/zinc/27/93/53/1354279353.db2.gz ZUALIPOZCFCYJZ-CABCVRRESA-N 1 2 332.448 2.269 10 30 EEEELO C=CCCC(=O)N1C[C@@H]2C[N@@H+](Cc3nc(CCC)no3)CC[C@@H]2C1 ZINC001656797606 1354279356 /nfs/dbraw/zinc/27/93/56/1354279356.db2.gz ZUALIPOZCFCYJZ-CABCVRRESA-N 1 2 332.448 2.269 10 30 EEEELO C=C(Br)C[N@H+](C)CCCNC(=O)c1ccncc1F ZINC001660089757 1354394623 /nfs/dbraw/zinc/39/46/23/1354394623.db2.gz GPWOFRMMNPVDQL-UHFFFAOYSA-N 1 2 330.201 2.181 10 30 EEEELO C=C(Br)C[N@@H+](C)CCCNC(=O)c1ccncc1F ZINC001660089757 1354394624 /nfs/dbraw/zinc/39/46/24/1354394624.db2.gz GPWOFRMMNPVDQL-UHFFFAOYSA-N 1 2 330.201 2.181 10 30 EEEELO C#CCCCC(=O)NCCCN1CC[NH+](Cc2ccsc2)CC1 ZINC001660879827 1354555135 /nfs/dbraw/zinc/55/51/35/1354555135.db2.gz KSNFCQTXCZOPTM-UHFFFAOYSA-N 1 2 333.501 2.176 10 30 EEEELO CC1(C)CC(C(=O)NCC[NH+]2CCN(CC#N)CC2)CC(C)(C)C1 ZINC001660934522 1354563007 /nfs/dbraw/zinc/56/30/07/1354563007.db2.gz OVSZDQGAUADECN-UHFFFAOYSA-N 1 2 334.508 2.096 10 30 EEEELO Cc1nc([C@@H](C)[NH+]2CCC3(C[C@H]3NC(=O)C#CC(C)(C)C)CC2)no1 ZINC001661063275 1354582444 /nfs/dbraw/zinc/58/24/44/1354582444.db2.gz HPDRIEYFUAPPAG-UKRRQHHQSA-N 1 2 344.459 2.459 10 30 EEEELO C=CCC1(C(=O)N[C@@H]2CC23CC[NH+](Cc2nnc(C)[nH]2)CC3)CCC1 ZINC001661069529 1354585899 /nfs/dbraw/zinc/58/58/99/1354585899.db2.gz XURUBVHQLLQEQZ-OAHLLOKOSA-N 1 2 343.475 2.330 10 30 EEEELO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)C1CCCC1 ZINC001661275663 1354621016 /nfs/dbraw/zinc/62/10/16/1354621016.db2.gz AGXGAEXKODUTJQ-AHCXZYCDSA-N 1 2 347.503 2.179 10 30 EEEELO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)C1CCCC1 ZINC001661275663 1354621019 /nfs/dbraw/zinc/62/10/19/1354621019.db2.gz AGXGAEXKODUTJQ-AHCXZYCDSA-N 1 2 347.503 2.179 10 30 EEEELO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](OC(C)C)c1ccccc1 ZINC001661280066 1354622709 /nfs/dbraw/zinc/62/27/09/1354622709.db2.gz LWRGVCBNHNBCFM-CEXWTWQISA-N 1 2 326.440 2.461 10 30 EEEELO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](OC(C)C)c1ccccc1 ZINC001661280066 1354622713 /nfs/dbraw/zinc/62/27/13/1354622713.db2.gz LWRGVCBNHNBCFM-CEXWTWQISA-N 1 2 326.440 2.461 10 30 EEEELO C=CCCC(=O)NC[C@H]1CCC[N@H+](Cc2nc(CC3CC3)no2)C1 ZINC001661708396 1354677142 /nfs/dbraw/zinc/67/71/42/1354677142.db2.gz VNGVSIVLXQARFU-OAHLLOKOSA-N 1 2 332.448 2.317 10 30 EEEELO C=CCCC(=O)NC[C@H]1CCC[N@@H+](Cc2nc(CC3CC3)no2)C1 ZINC001661708396 1354677144 /nfs/dbraw/zinc/67/71/44/1354677144.db2.gz VNGVSIVLXQARFU-OAHLLOKOSA-N 1 2 332.448 2.317 10 30 EEEELO C=CC(C)(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cn(C(C)C)nn2)C1 ZINC001661732806 1354683667 /nfs/dbraw/zinc/68/36/67/1354683667.db2.gz FXKFXMNNHHWCPU-HNNXBMFYSA-N 1 2 333.480 2.399 10 30 EEEELO C=CC(C)(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2cn(C(C)C)nn2)C1 ZINC001661732806 1354683673 /nfs/dbraw/zinc/68/36/73/1354683673.db2.gz FXKFXMNNHHWCPU-HNNXBMFYSA-N 1 2 333.480 2.399 10 30 EEEELO C=C1CC(C)(C(=O)NC[C@H]2CCC[N@@H+](Cc3nnc(CC)o3)C2)C1 ZINC001661739221 1354685724 /nfs/dbraw/zinc/68/57/24/1354685724.db2.gz OAHSAZZJLYRIFK-CQSZACIVSA-N 1 2 332.448 2.317 10 30 EEEELO C=C1CC(C)(C(=O)NC[C@H]2CCC[N@H+](Cc3nnc(CC)o3)C2)C1 ZINC001661739221 1354685725 /nfs/dbraw/zinc/68/57/25/1354685725.db2.gz OAHSAZZJLYRIFK-CQSZACIVSA-N 1 2 332.448 2.317 10 30 EEEELO C=CCn1cc(C[NH2+]Cc2ccc(OC(=O)CC)c(OCC)c2)nn1 ZINC001662697610 1354827476 /nfs/dbraw/zinc/82/74/76/1354827476.db2.gz DXOFKEDQFJFJPM-UHFFFAOYSA-N 1 2 344.415 2.468 10 30 EEEELO C=CCC(C)(C)C(=O)N1CCC[C@@H]([N@@H+](C)Cc2cn(CC)nn2)C1 ZINC001662861963 1354868165 /nfs/dbraw/zinc/86/81/65/1354868165.db2.gz HBWXONKXMFQFQO-MRXNPFEDSA-N 1 2 333.480 2.323 10 30 EEEELO C=CCC(C)(C)C(=O)N1CCC[C@@H]([N@H+](C)Cc2cn(CC)nn2)C1 ZINC001662861963 1354868167 /nfs/dbraw/zinc/86/81/67/1354868167.db2.gz HBWXONKXMFQFQO-MRXNPFEDSA-N 1 2 333.480 2.323 10 30 EEEELO CC[N@H+](CCNC(=O)C#CC1CC1)Cc1nc(C)c2ccccc2n1 ZINC001663381431 1354955499 /nfs/dbraw/zinc/95/54/99/1354955499.db2.gz GCVCTAFUCBMAJK-UHFFFAOYSA-N 1 2 336.439 2.290 10 30 EEEELO CC[N@@H+](CCNC(=O)C#CC1CC1)Cc1nc(C)c2ccccc2n1 ZINC001663381431 1354955503 /nfs/dbraw/zinc/95/55/03/1354955503.db2.gz GCVCTAFUCBMAJK-UHFFFAOYSA-N 1 2 336.439 2.290 10 30 EEEELO C=CCOCC(=O)N(CC)[C@H]1CC[N@H+](Cc2ncc(C3CC3)o2)C1 ZINC001665704182 1355367494 /nfs/dbraw/zinc/36/74/94/1355367494.db2.gz ZAISDCJJZOQBDM-HNNXBMFYSA-N 1 2 333.432 2.177 10 30 EEEELO C=CCOCC(=O)N(CC)[C@H]1CC[N@@H+](Cc2ncc(C3CC3)o2)C1 ZINC001665704182 1355367500 /nfs/dbraw/zinc/36/75/00/1355367500.db2.gz ZAISDCJJZOQBDM-HNNXBMFYSA-N 1 2 333.432 2.177 10 30 EEEELO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)CCOc2cccc(C)c2)C1 ZINC001666734214 1355581729 /nfs/dbraw/zinc/58/17/29/1355581729.db2.gz DOTGFOHWEMNOKS-SFHVURJKSA-N 1 2 332.444 2.157 10 30 EEEELO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)CCOc2cccc(C)c2)C1 ZINC001666734214 1355581731 /nfs/dbraw/zinc/58/17/31/1355581731.db2.gz DOTGFOHWEMNOKS-SFHVURJKSA-N 1 2 332.444 2.157 10 30 EEEELO C=C1CCC(C(=O)N(C)CC[N@@H+](C)Cc2ccnc(OC)n2)CC1 ZINC001667618963 1355770661 /nfs/dbraw/zinc/77/06/61/1355770661.db2.gz HOIBDAQDNBNLFC-UHFFFAOYSA-N 1 2 332.448 2.122 10 30 EEEELO C=C1CCC(C(=O)N(C)CC[N@H+](C)Cc2ccnc(OC)n2)CC1 ZINC001667618963 1355770667 /nfs/dbraw/zinc/77/06/67/1355770667.db2.gz HOIBDAQDNBNLFC-UHFFFAOYSA-N 1 2 332.448 2.122 10 30 EEEELO CCCCc1noc([C@H](C)[NH2+]CCN(CC)C(=O)C#CC2CC2)n1 ZINC001668426274 1355938786 /nfs/dbraw/zinc/93/87/86/1355938786.db2.gz FFASMCMDIVOHIP-AWEZNQCLSA-N 1 2 332.448 2.325 10 30 EEEELO C[C@H](C[NH2+]Cc1nnc(C(F)F)s1)NC(=O)C#CC(C)(C)C ZINC001669289392 1356140780 /nfs/dbraw/zinc/14/07/80/1356140780.db2.gz WDKSDZNKIRAJLG-SECBINFHSA-N 1 2 330.404 2.120 10 30 EEEELO C#CCN(C(=O)[C@H](C)CCC)C1CC[NH+](Cc2ccn(C)n2)CC1 ZINC001671465351 1356343877 /nfs/dbraw/zinc/34/38/77/1356343877.db2.gz QUYQZIULCDAUOY-MRXNPFEDSA-N 1 2 330.476 2.283 10 30 EEEELO C#CCN(C(=O)C#CC(C)(C)C)C1CC[NH+](Cc2ncc(C)o2)CC1 ZINC001671473821 1356345661 /nfs/dbraw/zinc/34/56/61/1356345661.db2.gz GXMUDSYFEBWYLL-UHFFFAOYSA-N 1 2 341.455 2.459 10 30 EEEELO C#CCN(C(=O)[C@H](F)C(C)C)C1CC[NH+](Cc2coc(C)n2)CC1 ZINC001671487067 1356348054 /nfs/dbraw/zinc/34/80/54/1356348054.db2.gz JXZJZTMXXFEZQV-QGZVFWFLSA-N 1 2 335.423 2.403 10 30 EEEELO C=CCCOCC(=O)NC[C@H]1COCC[N@H+]1Cc1cc(C)ccc1C ZINC001673075669 1356643677 /nfs/dbraw/zinc/64/36/77/1356643677.db2.gz ORMOJUNOHVLODQ-IBGZPJMESA-N 1 2 346.471 2.213 10 30 EEEELO C=CCCOCC(=O)NC[C@H]1COCC[N@@H+]1Cc1cc(C)ccc1C ZINC001673075669 1356643683 /nfs/dbraw/zinc/64/36/83/1356643683.db2.gz ORMOJUNOHVLODQ-IBGZPJMESA-N 1 2 346.471 2.213 10 30 EEEELO C=CCCCC(=O)N[C@H]1CCC[N@@H+](Cc2nc(COC)no2)CC1 ZINC001673391184 1356684010 /nfs/dbraw/zinc/68/40/10/1356684010.db2.gz MAZLANFMRGSGQZ-AWEZNQCLSA-N 1 2 336.436 2.043 10 30 EEEELO C=CCCCC(=O)N[C@H]1CCC[N@H+](Cc2nc(COC)no2)CC1 ZINC001673391184 1356684013 /nfs/dbraw/zinc/68/40/13/1356684013.db2.gz MAZLANFMRGSGQZ-AWEZNQCLSA-N 1 2 336.436 2.043 10 30 EEEELO C=CCCC(=O)N[C@H]1COC2(C[NH+](Cc3cccc(OC)c3C)C2)C1 ZINC001673550278 1356708307 /nfs/dbraw/zinc/70/83/07/1356708307.db2.gz ISXNKFRGASDUST-QGZVFWFLSA-N 1 2 344.455 2.429 10 30 EEEELO C=CCC(CC=C)C(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2nc(CC)no2)C1 ZINC001673871145 1356752121 /nfs/dbraw/zinc/75/21/21/1356752121.db2.gz BLIPZTXQQKCGLA-HIFRSBDPSA-N 1 2 332.448 2.337 10 30 EEEELO C=C(Cl)C[N@H+](C)C[C@H]1CCCN1C(=O)C(=O)Nc1ccccc1 ZINC001674468883 1356839787 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C=CCCC(=O)N1CC[C@]2(CC[N@@H+](Cc3nc(C4CC4)nn3C)C2)C1 ZINC001269719967 1184552462 /nfs/dbraw/zinc/55/24/62/1184552462.db2.gz PHJUBIHIPBEDCI-IBGZPJMESA-N 1 2 343.475 2.083 10 30 EEEELO C=CCCC(=O)N1CC[C@]2(CC[N@H+](Cc3nc(C4CC4)nn3C)C2)C1 ZINC001269719967 1184552468 /nfs/dbraw/zinc/55/24/68/1184552468.db2.gz PHJUBIHIPBEDCI-IBGZPJMESA-N 1 2 343.475 2.083 10 30 EEEELO C#CCN(C(=O)[C@@H]1C[C@@H]1C)C1CC[NH+](Cc2csnc2OC)CC1 ZINC001270284915 1184984940 /nfs/dbraw/zinc/98/49/40/1184984940.db2.gz JYGUVCGPBYZKDD-XJKSGUPXSA-N 1 2 347.484 2.234 10 30 EEEELO C#CCN(C(=O)c1ccns1)C1CC[NH+](Cc2nccs2)CC1 ZINC001270321673 1185013776 /nfs/dbraw/zinc/01/37/76/1185013776.db2.gz YRUSVBOFAQFFBN-UHFFFAOYSA-N 1 2 346.481 2.340 10 30 EEEELO C#CCN(C(=O)c1cc(C)co1)C1CC[NH+](Cc2ccn(C)n2)CC1 ZINC001270338716 1185030290 /nfs/dbraw/zinc/03/02/90/1185030290.db2.gz OHGYOOMLEGDGAL-UHFFFAOYSA-N 1 2 340.427 2.062 10 30 EEEELO C=CCC1(C(=O)NCC2(NC(=O)Cn3cc[nH+]c3)CC2)CCCCC1 ZINC001299175419 1185600826 /nfs/dbraw/zinc/60/08/26/1185600826.db2.gz AQOJYHCSXFEJIB-UHFFFAOYSA-N 1 2 344.459 2.175 10 30 EEEELO CC(C)c1nc(C[NH2+]CC[C@H]2CCCCN2C(=O)[C@H](C)C#N)no1 ZINC001271504951 1186280342 /nfs/dbraw/zinc/28/03/42/1186280342.db2.gz MGHNNPRORLGIFJ-ZIAGYGMSSA-N 1 2 333.436 2.213 10 30 EEEELO C=C(C)C(C)(C)C(=O)N(C)C[C@H]1CC[N@@H+]1[C@H]1CCN(C2CCC2)C1=O ZINC001691648963 1193460093 /nfs/dbraw/zinc/46/00/93/1193460093.db2.gz FDIUCNKJXXPWSF-SJORKVTESA-N 1 2 347.503 2.275 10 30 EEEELO C=C(C)C(C)(C)C(=O)N(C)C[C@H]1CC[N@H+]1[C@H]1CCN(C2CCC2)C1=O ZINC001691648963 1193460095 /nfs/dbraw/zinc/46/00/95/1193460095.db2.gz FDIUCNKJXXPWSF-SJORKVTESA-N 1 2 347.503 2.275 10 30 EEEELO Cc1ccc(NC(=O)C[N@@H+](C)CCN(C)C(=O)C#CC(C)C)cc1C ZINC001482594833 1187242029 /nfs/dbraw/zinc/24/20/29/1187242029.db2.gz HURPGIMSBXSSLF-UHFFFAOYSA-N 1 2 343.471 2.292 10 30 EEEELO Cc1ccc(NC(=O)C[N@H+](C)CCN(C)C(=O)C#CC(C)C)cc1C ZINC001482594833 1187242034 /nfs/dbraw/zinc/24/20/34/1187242034.db2.gz HURPGIMSBXSSLF-UHFFFAOYSA-N 1 2 343.471 2.292 10 30 EEEELO CCN(C[C@H](C)C#N)C(=O)Cn1c[nH+]c(Cc2ccccc2OC)c1 ZINC001413939869 1187298440 /nfs/dbraw/zinc/29/84/40/1187298440.db2.gz DXZPBAQBMFSDCO-OAHLLOKOSA-N 1 2 340.427 2.491 10 30 EEEELO C=C1CC(C)(C(=O)N(CC)CC[NH2+]Cc2nnc(OCC)s2)C1 ZINC001482948789 1187888117 /nfs/dbraw/zinc/88/81/17/1187888117.db2.gz UBKZFHWFYPFIDO-UHFFFAOYSA-N 1 2 338.477 2.231 10 30 EEEELO C=C1CC(C)(C(=O)N(C)CC[N@H+](C)CC(=O)Nc2ccccc2)C1 ZINC001272106627 1187910956 /nfs/dbraw/zinc/91/09/56/1187910956.db2.gz XDEXENPEZIKJGE-UHFFFAOYSA-N 1 2 329.444 2.372 10 30 EEEELO C=C1CC(C)(C(=O)N(C)CC[N@@H+](C)CC(=O)Nc2ccccc2)C1 ZINC001272106627 1187910964 /nfs/dbraw/zinc/91/09/64/1187910964.db2.gz XDEXENPEZIKJGE-UHFFFAOYSA-N 1 2 329.444 2.372 10 30 EEEELO N#CCSCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCC(F)(F)F ZINC001671006980 1193543764 /nfs/dbraw/zinc/54/37/64/1193543764.db2.gz XDFSTQDDIYVBSU-TXEJJXNPSA-N 1 2 335.395 2.261 10 30 EEEELO N#CCSCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCC(F)(F)F ZINC001671006980 1193543768 /nfs/dbraw/zinc/54/37/68/1193543768.db2.gz XDFSTQDDIYVBSU-TXEJJXNPSA-N 1 2 335.395 2.261 10 30 EEEELO C[C@@H](C[N@H+](C)CC(=O)Nc1ccccc1Cl)NC(=O)C#CC1CC1 ZINC001483336291 1190365042 /nfs/dbraw/zinc/36/50/42/1190365042.db2.gz LUCYDHCEUFQSNE-ZDUSSCGKSA-N 1 2 347.846 2.128 10 30 EEEELO C[C@@H](C[N@@H+](C)CC(=O)Nc1ccccc1Cl)NC(=O)C#CC1CC1 ZINC001483336291 1190365043 /nfs/dbraw/zinc/36/50/43/1190365043.db2.gz LUCYDHCEUFQSNE-ZDUSSCGKSA-N 1 2 347.846 2.128 10 30 EEEELO C#CCO[C@H](C)C(=O)N[C@@H](C)C[N@H+](C)Cc1nsc2ccccc12 ZINC001483338627 1190369091 /nfs/dbraw/zinc/36/90/91/1190369091.db2.gz ZOTNZUOZUQPNGY-UONOGXRCSA-N 1 2 345.468 2.271 10 30 EEEELO C#CCO[C@H](C)C(=O)N[C@@H](C)C[N@@H+](C)Cc1nsc2ccccc12 ZINC001483338627 1190369096 /nfs/dbraw/zinc/36/90/96/1190369096.db2.gz ZOTNZUOZUQPNGY-UONOGXRCSA-N 1 2 345.468 2.271 10 30 EEEELO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CC[C@H]1CNC(=O)C1CC2(CC2)C1 ZINC001483678858 1190738687 /nfs/dbraw/zinc/73/86/87/1190738687.db2.gz CLHIVLIYTAUWHU-WBVHZDCISA-N 1 2 347.503 2.180 10 30 EEEELO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CC[C@H]1CNC(=O)C1CC2(CC2)C1 ZINC001483678858 1190738690 /nfs/dbraw/zinc/73/86/90/1190738690.db2.gz CLHIVLIYTAUWHU-WBVHZDCISA-N 1 2 347.503 2.180 10 30 EEEELO N#CC[N@H+](CC1CC1)C1CCN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)CC1 ZINC001483816784 1191061062 /nfs/dbraw/zinc/06/10/62/1191061062.db2.gz NUVHWQJYOCXZFZ-RYQLBKOJSA-N 1 2 331.460 2.028 10 30 EEEELO N#CC[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)CC1 ZINC001483816784 1191061064 /nfs/dbraw/zinc/06/10/64/1191061064.db2.gz NUVHWQJYOCXZFZ-RYQLBKOJSA-N 1 2 331.460 2.028 10 30 EEEELO N#CC[N@H+](CC1CC1)C1CCN(C(=O)c2cnc(C3CC3)o2)CC1 ZINC001483816592 1191061207 /nfs/dbraw/zinc/06/12/07/1191061207.db2.gz GPJHDKUMRUBNCJ-UHFFFAOYSA-N 1 2 328.416 2.392 10 30 EEEELO N#CC[N@@H+](CC1CC1)C1CCN(C(=O)c2cnc(C3CC3)o2)CC1 ZINC001483816592 1191061210 /nfs/dbraw/zinc/06/12/10/1191061210.db2.gz GPJHDKUMRUBNCJ-UHFFFAOYSA-N 1 2 328.416 2.392 10 30 EEEELO CCc1ccc([C@H](O)C[NH+]2CC(N(C)C(=O)C#CC(C)(C)C)C2)cc1 ZINC001483863221 1191096647 /nfs/dbraw/zinc/09/66/47/1191096647.db2.gz QMXBKTJLPTWWHH-LJQANCHMSA-N 1 2 342.483 2.475 10 30 EEEELO C#Cc1cccc(NC(=O)C[N@H+]2CC[C@](C)(NC(=O)/C(C)=C\C)C2)c1 ZINC001484039423 1191172350 /nfs/dbraw/zinc/17/23/50/1191172350.db2.gz SDPVGFFXUGCQNO-YHOXVIFXSA-N 1 2 339.439 2.153 10 30 EEEELO C#Cc1cccc(NC(=O)C[N@@H+]2CC[C@](C)(NC(=O)/C(C)=C\C)C2)c1 ZINC001484039423 1191172351 /nfs/dbraw/zinc/17/23/51/1191172351.db2.gz SDPVGFFXUGCQNO-YHOXVIFXSA-N 1 2 339.439 2.153 10 30 EEEELO CC#CCCCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1noc(CC)n1)C2 ZINC001484319018 1191302910 /nfs/dbraw/zinc/30/29/10/1191302910.db2.gz VDMPIDMDXSRATM-JYJNAYRXSA-N 1 2 344.459 2.295 10 30 EEEELO CC#CCCCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1noc(CC)n1)C2 ZINC001484319018 1191302912 /nfs/dbraw/zinc/30/29/12/1191302912.db2.gz VDMPIDMDXSRATM-JYJNAYRXSA-N 1 2 344.459 2.295 10 30 EEEELO CO[C@H](C)CCC(=O)N[C@@H](C)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001409918710 1191432445 /nfs/dbraw/zinc/43/24/45/1191432445.db2.gz MFMIJKPNOOMCFE-KGLIPLIRSA-N 1 2 347.434 2.449 10 30 EEEELO CN(CCC[N@H+](C)Cc1ncc(Cl)s1)C(=O)C#CC1CC1 ZINC001484741993 1191494149 /nfs/dbraw/zinc/49/41/49/1191494149.db2.gz LZJQEHYPQHEXOC-UHFFFAOYSA-N 1 2 325.865 2.490 10 30 EEEELO CN(CCC[N@@H+](C)Cc1ncc(Cl)s1)C(=O)C#CC1CC1 ZINC001484741993 1191494151 /nfs/dbraw/zinc/49/41/51/1191494151.db2.gz LZJQEHYPQHEXOC-UHFFFAOYSA-N 1 2 325.865 2.490 10 30 EEEELO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)C1(CCOC)CCC1 ZINC001484823222 1191541613 /nfs/dbraw/zinc/54/16/13/1191541613.db2.gz JWPSOIAREBFNID-LJQANCHMSA-N 1 2 340.467 2.370 10 30 EEEELO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)C1(CCOC)CCC1 ZINC001484823222 1191541615 /nfs/dbraw/zinc/54/16/15/1191541615.db2.gz JWPSOIAREBFNID-LJQANCHMSA-N 1 2 340.467 2.370 10 30 EEEELO C=CCOCC(=O)N[C@H]1CCC[N@H+](Cc2nc3c(o2)CCCC3)[C@@H]1C ZINC001486171626 1193711528 /nfs/dbraw/zinc/71/15/28/1193711528.db2.gz PASCKLJIPLHVPW-CABCVRRESA-N 1 2 347.459 2.225 10 30 EEEELO C=CCOCC(=O)N[C@H]1CCC[N@@H+](Cc2nc3c(o2)CCCC3)[C@@H]1C ZINC001486171626 1193711530 /nfs/dbraw/zinc/71/15/30/1193711530.db2.gz PASCKLJIPLHVPW-CABCVRRESA-N 1 2 347.459 2.225 10 30 EEEELO C#CCCCCC(=O)N[C@@H](C)C1CC[NH+](Cc2nncs2)CC1 ZINC001486444449 1193958819 /nfs/dbraw/zinc/95/88/19/1193958819.db2.gz BXBDNNPVYUVQOX-AWEZNQCLSA-N 1 2 334.489 2.448 10 30 EEEELO C=C[C@@](C)(CC)C(=O)N[C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001746521057 1194389647 /nfs/dbraw/zinc/38/96/47/1194389647.db2.gz RJSYFZUMTTVWFO-MPGHIAIKSA-N 1 2 332.448 2.029 10 30 EEEELO C=C(C)CCC(=O)N1CCC[C@@H]1CNC(=O)c1cccc2[nH+]ccn21 ZINC001746541971 1195118714 /nfs/dbraw/zinc/11/87/14/1195118714.db2.gz AYYHYSUXSKZRCT-OAHLLOKOSA-N 1 2 340.427 2.411 10 30 EEEELO C=C1CC(C)(C(=O)NCC2(NC(=O)Cc3c[nH]c[nH+]3)CCCCC2)C1 ZINC001487091332 1197196966 /nfs/dbraw/zinc/19/69/66/1197196966.db2.gz REDAKOWODJIMCT-UHFFFAOYSA-N 1 2 344.459 2.244 10 30 EEEELO C=C[C@H](CC)CC(=O)NC[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001487432144 1197465742 /nfs/dbraw/zinc/46/57/42/1197465742.db2.gz FPEOITAYYYSNHW-OXGONZEZSA-N 1 2 344.459 2.127 10 30 EEEELO C=C[C@H](CC)CC(=O)NC[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001487432144 1197465746 /nfs/dbraw/zinc/46/57/46/1197465746.db2.gz FPEOITAYYYSNHW-OXGONZEZSA-N 1 2 344.459 2.127 10 30 EEEELO CCN(CC[NH2+]Cc1ncc(C2CC2)o1)C(=O)c1ccc(C#N)[nH]1 ZINC001273334978 1198224065 /nfs/dbraw/zinc/22/40/65/1198224065.db2.gz PCFKMHMOXIFHFE-UHFFFAOYSA-N 1 2 327.388 2.004 10 30 EEEELO CCN(CC[NH2+]Cc1nnc(C(F)(F)F)s1)C(=O)C#CC(C)C ZINC001273363354 1198328213 /nfs/dbraw/zinc/32/82/13/1198328213.db2.gz NACDYUGABLGYJG-UHFFFAOYSA-N 1 2 348.394 2.154 10 30 EEEELO C#CCCCCC(=O)N1CC[C@@H](N2CC[NH+](C[C@@H](F)CC)CC2)C1 ZINC001273374846 1198393746 /nfs/dbraw/zinc/39/37/46/1198393746.db2.gz NDXYBEXRQFUOID-ZWKOTPCHSA-N 1 2 337.483 2.147 10 30 EEEELO C=CC[C@@H](C(=O)OC)[N@@H+]1CCC[C@H](c2ncc(C(=O)OC)s2)C1 ZINC000879008691 1200799357 /nfs/dbraw/zinc/79/93/57/1200799357.db2.gz XGBATXBOEGGEMO-RYUDHWBXSA-N 1 2 338.429 2.227 10 30 EEEELO C=CC[C@@H](C(=O)OC)[N@H+]1CCC[C@H](c2ncc(C(=O)OC)s2)C1 ZINC000879008691 1200799363 /nfs/dbraw/zinc/79/93/63/1200799363.db2.gz XGBATXBOEGGEMO-RYUDHWBXSA-N 1 2 338.429 2.227 10 30 EEEELO Cc1ccc(C[N@@H+]2CCO[C@@H](CNc3ccc(C#N)c(N)n3)C2)cc1 ZINC000866189803 1201460050 /nfs/dbraw/zinc/46/00/50/1201460050.db2.gz DOSJIAFYHHFGSM-KRWDZBQOSA-N 1 2 337.427 2.157 10 30 EEEELO Cc1ccc(C[N@H+]2CCO[C@@H](CNc3ccc(C#N)c(N)n3)C2)cc1 ZINC000866189803 1201460053 /nfs/dbraw/zinc/46/00/53/1201460053.db2.gz DOSJIAFYHHFGSM-KRWDZBQOSA-N 1 2 337.427 2.157 10 30 EEEELO C#CCC1(O)CC[NH+](Cc2nc(CCc3ccccc3)no2)CC1 ZINC000880480560 1201498631 /nfs/dbraw/zinc/49/86/31/1201498631.db2.gz XBTJJMCWAVQKRZ-UHFFFAOYSA-N 1 2 325.412 2.205 10 30 EEEELO C[C@H]([NH2+]C[C@@H](N1CCOCC1)C(F)(F)F)c1cccc(C#N)c1O ZINC000866359481 1201499984 /nfs/dbraw/zinc/49/99/84/1201499984.db2.gz STRKZMSAAVUVDL-SMDDNHRTSA-N 1 2 343.349 2.178 10 30 EEEELO C#CC1(F)CN(C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)C1 ZINC000883465302 1202070518 /nfs/dbraw/zinc/07/05/18/1202070518.db2.gz LLRFXBXLLZEELH-UHFFFAOYSA-N 1 2 344.434 2.088 10 30 EEEELO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1cccc2c1ccn2C(F)F ZINC000884399775 1202311154 /nfs/dbraw/zinc/31/11/54/1202311154.db2.gz NPMCKHJBHHOGJG-NSHDSACASA-N 1 2 337.326 2.422 10 30 EEEELO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC/C=C\C[NH2+][C@H](C)c1ncc(C)o1 ZINC001274430104 1205033694 /nfs/dbraw/zinc/03/36/94/1205033694.db2.gz KFHGKKYCGSHWCI-MXPMBAMNSA-N 1 2 333.432 2.287 10 30 EEEELO C=CCC1(C(=O)N[C@@H]2CC[N@H+](Cc3nncn3C)[C@@H](C)C2)CCC1 ZINC001274641905 1205109824 /nfs/dbraw/zinc/10/98/24/1205109824.db2.gz ALXZIKXTPJZUJL-LSDHHAIUSA-N 1 2 331.464 2.031 10 30 EEEELO C=CCC1(C(=O)N[C@@H]2CC[N@@H+](Cc3nncn3C)[C@@H](C)C2)CCC1 ZINC001274641905 1205109825 /nfs/dbraw/zinc/10/98/25/1205109825.db2.gz ALXZIKXTPJZUJL-LSDHHAIUSA-N 1 2 331.464 2.031 10 30 EEEELO C=CCOc1cccnc1C(=O)N[C@H](C)C[N@H+](C)Cc1nocc1C ZINC001275699473 1205489130 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C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCn1cc[nH+]c1 ZINC001543797188 1124135117 /nfs/dbraw/zinc/13/51/17/1124135117.db2.gz FYFZUNJIVLYWEX-CQSZACIVSA-N 1 2 336.436 2.249 10 30 EEEELO C=CCC(C)(C)C(=O)N(C)[C@@H]1CC[N@H+](CC(=O)NCC2CCC2)C1 ZINC001567922579 1124181571 /nfs/dbraw/zinc/18/15/71/1124181571.db2.gz VRHOAXSONMSCNQ-MRXNPFEDSA-N 1 2 335.492 2.038 10 30 EEEELO C=CCC(C)(C)C(=O)N(C)[C@@H]1CC[N@@H+](CC(=O)NCC2CCC2)C1 ZINC001567922579 1124181578 /nfs/dbraw/zinc/18/15/78/1124181578.db2.gz VRHOAXSONMSCNQ-MRXNPFEDSA-N 1 2 335.492 2.038 10 30 EEEELO C#CCOCCC(=O)N(CC)[C@H]1CC[N@H+](Cc2csc(CC)n2)C1 ZINC001567937154 1124192595 /nfs/dbraw/zinc/19/25/95/1124192595.db2.gz FCIASFUAIOAORS-INIZCTEOSA-N 1 2 349.500 2.168 10 30 EEEELO C#CCOCCC(=O)N(CC)[C@H]1CC[N@@H+](Cc2csc(CC)n2)C1 ZINC001567937154 1124192598 /nfs/dbraw/zinc/19/25/98/1124192598.db2.gz FCIASFUAIOAORS-INIZCTEOSA-N 1 2 349.500 2.168 10 30 EEEELO C=CCOCC[N@@H+]1CCO[C@H](CNC(=O)C(C)(C)C2CCCC2)C1 ZINC001568220443 1124364002 /nfs/dbraw/zinc/36/40/02/1124364002.db2.gz QFIBQYQNOHQMMF-QGZVFWFLSA-N 1 2 338.492 2.222 10 30 EEEELO C=CCOCC[N@H+]1CCO[C@H](CNC(=O)C(C)(C)C2CCCC2)C1 ZINC001568220443 1124364004 /nfs/dbraw/zinc/36/40/04/1124364004.db2.gz QFIBQYQNOHQMMF-QGZVFWFLSA-N 1 2 338.492 2.222 10 30 EEEELO CC(C)C#CC(=O)N1CCC[C@H](C)[C@@H]1C[NH2+]Cc1noc(C2CC2)n1 ZINC001568423216 1124489642 /nfs/dbraw/zinc/48/96/42/1124489642.db2.gz DZIJQZVQONUCGV-HOCLYGCPSA-N 1 2 344.459 2.323 10 30 EEEELO C=CCNC(=O)C[N@@H+](C)CCN(C)C(=O)c1ccccc1C(C)(C)C ZINC001568486913 1124544286 /nfs/dbraw/zinc/54/42/86/1124544286.db2.gz KPIJAWMACFBWAJ-UHFFFAOYSA-N 1 2 345.487 2.290 10 30 EEEELO C=CCNC(=O)C[N@H+](C)CCN(C)C(=O)c1ccccc1C(C)(C)C ZINC001568486913 1124544291 /nfs/dbraw/zinc/54/42/91/1124544291.db2.gz KPIJAWMACFBWAJ-UHFFFAOYSA-N 1 2 345.487 2.290 10 30 EEEELO CC(C)Cc1nc(C[NH2+][C@@H]2CC[C@H](CNC(=O)C#CC3CC3)C2)no1 ZINC001565894677 1125451359 /nfs/dbraw/zinc/45/13/59/1125451359.db2.gz ODSHDUKKTGHJCX-JKSUJKDBSA-N 1 2 344.459 2.056 10 30 EEEELO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1c1ccc(C#N)cc1Br ZINC000418994390 239393683 /nfs/dbraw/zinc/39/36/83/239393683.db2.gz BPBFKVRCRULCLE-VXGBXAGGSA-N 1 2 338.249 2.212 10 30 EEEELO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1c1ccc(C#N)cc1Br ZINC000418994390 239393687 /nfs/dbraw/zinc/39/36/87/239393687.db2.gz BPBFKVRCRULCLE-VXGBXAGGSA-N 1 2 338.249 2.212 10 30 EEEELO CC[C@@H](C(=O)NCc1ccc(C#N)c(OC)c1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000427150838 241383467 /nfs/dbraw/zinc/38/34/67/241383467.db2.gz RZOXUCAHWJMAPY-IRXDYDNUSA-N 1 2 345.443 2.072 10 30 EEEELO CC[C@@H](C(=O)NCc1ccc(C#N)c(OC)c1)[N@H+]1CCO[C@@H](CC)C1 ZINC000427150838 241383474 /nfs/dbraw/zinc/38/34/74/241383474.db2.gz RZOXUCAHWJMAPY-IRXDYDNUSA-N 1 2 345.443 2.072 10 30 EEEELO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000451262039 533500438 /nfs/dbraw/zinc/50/04/38/533500438.db2.gz KOZAOGKBHYYUNW-MJGOQNOKSA-N 1 2 334.435 2.211 10 30 EEEELO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000451262039 533500442 /nfs/dbraw/zinc/50/04/42/533500442.db2.gz KOZAOGKBHYYUNW-MJGOQNOKSA-N 1 2 334.435 2.211 10 30 EEEELO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCO[C@H](c2nccs2)C1 ZINC000103478874 159277805 /nfs/dbraw/zinc/27/78/05/159277805.db2.gz QORZFSUUVCLKSM-HNNXBMFYSA-N 1 2 342.424 2.417 10 30 EEEELO N#Cc1ccccc1NC(=O)CC[N@H+]1CCO[C@H](c2nccs2)C1 ZINC000103478874 159277806 /nfs/dbraw/zinc/27/78/06/159277806.db2.gz QORZFSUUVCLKSM-HNNXBMFYSA-N 1 2 342.424 2.417 10 30 EEEELO N#Cc1csc(C[NH2+]Cc2cccc(NC(=O)[C@H]3CCCO3)c2)n1 ZINC000352840920 162308125 /nfs/dbraw/zinc/30/81/25/162308125.db2.gz PMFLWABLFSCONN-OAHLLOKOSA-N 1 2 342.424 2.422 10 30 EEEELO Cc1cc(C#N)cc(N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)n1 ZINC000367802893 166004986 /nfs/dbraw/zinc/00/49/86/166004986.db2.gz MEROOOFWPAWPQP-MOPGFXCFSA-N 1 2 334.423 2.351 10 30 EEEELO Cc1cc(C#N)cc(N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)n1 ZINC000367802893 166004987 /nfs/dbraw/zinc/00/49/87/166004987.db2.gz MEROOOFWPAWPQP-MOPGFXCFSA-N 1 2 334.423 2.351 10 30 EEEELO Cc1cn2cc(NC(=O)C(=O)N(C)Cc3ccc(C#N)cc3)ccc2[nH+]1 ZINC000359143625 164070190 /nfs/dbraw/zinc/07/01/90/164070190.db2.gz OAXIYURKFLBAPY-UHFFFAOYSA-N 1 2 347.378 2.112 10 30 EEEELO N#Cc1cccc(CC(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)c1 ZINC000530671598 268275269 /nfs/dbraw/zinc/27/52/69/268275269.db2.gz KDXRVIPKFSRUKR-HXUWFJFHSA-N 1 2 349.434 2.290 10 30 EEEELO COc1cc(C[NH+]2CCN(c3ncccc3C#N)CC2)ccc1C#N ZINC000282216078 269471940 /nfs/dbraw/zinc/47/19/40/269471940.db2.gz HRFKMQGTAXMVPW-UHFFFAOYSA-N 1 2 333.395 2.156 10 30 EEEELO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1ccc(Br)cc1C#N ZINC000336838960 465049872 /nfs/dbraw/zinc/04/98/72/465049872.db2.gz OAUBBZLFNBXLCG-CMPLNLGQSA-N 1 2 336.233 2.407 10 30 EEEELO C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1ccc(Br)cc1C#N ZINC000336838960 465049877 /nfs/dbraw/zinc/04/98/77/465049877.db2.gz OAUBBZLFNBXLCG-CMPLNLGQSA-N 1 2 336.233 2.407 10 30 EEEELO Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)NCCOC2CCCC2)CCO1 ZINC000328620932 465075410 /nfs/dbraw/zinc/07/54/10/465075410.db2.gz HLECLBZHWQWYDP-BBRMVZONSA-N 1 2 336.436 2.103 10 30 EEEELO C=CCCc1ccccc1NC(=O)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000354767957 465140331 /nfs/dbraw/zinc/14/03/31/465140331.db2.gz JTPNPRMLWGXKDZ-AWEZNQCLSA-N 1 2 338.411 2.141 10 30 EEEELO C=CCCc1ccccc1NC(=O)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000354767957 465140336 /nfs/dbraw/zinc/14/03/36/465140336.db2.gz JTPNPRMLWGXKDZ-AWEZNQCLSA-N 1 2 338.411 2.141 10 30 EEEELO C=CC[C@@H](CO)NC(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000341510705 465206829 /nfs/dbraw/zinc/20/68/29/465206829.db2.gz NNTJCFQKJIGAIC-FUHWJXTLSA-N 1 2 342.443 2.477 10 30 EEEELO C=CCNC(=O)CN1CC[NH+](Cc2c(Cl)cccc2CC)CC1 ZINC000355579506 465257754 /nfs/dbraw/zinc/25/77/54/465257754.db2.gz HBPBZYZLHCOGKG-UHFFFAOYSA-N 1 2 335.879 2.322 10 30 EEEELO N#Cc1ccc2ncc(C[N@H+]3CCCN(CC(F)(F)F)CC3)n2c1 ZINC000129456480 462707575 /nfs/dbraw/zinc/70/75/75/462707575.db2.gz SZQHHNKUGMUFIU-UHFFFAOYSA-N 1 2 337.349 2.276 10 30 EEEELO N#Cc1ccc2ncc(C[N@@H+]3CCCN(CC(F)(F)F)CC3)n2c1 ZINC000129456480 462707579 /nfs/dbraw/zinc/70/75/79/462707579.db2.gz SZQHHNKUGMUFIU-UHFFFAOYSA-N 1 2 337.349 2.276 10 30 EEEELO C[C@H](C(=O)NC1CCCC1)N1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC000131636923 462818613 /nfs/dbraw/zinc/81/86/13/462818613.db2.gz LHAVNEKXXCCLPN-CQSZACIVSA-N 1 2 346.500 2.185 10 30 EEEELO C#CCOc1ccc(C[N@@H+]2C[C@H](OC)C[C@@H]2c2nc(C)no2)cc1 ZINC000190143657 464602849 /nfs/dbraw/zinc/60/28/49/464602849.db2.gz SLLNMGKXMVZJTP-IAGOWNOFSA-N 1 2 327.384 2.352 10 30 EEEELO C#CCOc1ccc(C[N@H+]2C[C@H](OC)C[C@@H]2c2nc(C)no2)cc1 ZINC000190143657 464602856 /nfs/dbraw/zinc/60/28/56/464602856.db2.gz SLLNMGKXMVZJTP-IAGOWNOFSA-N 1 2 327.384 2.352 10 30 EEEELO CC(=O)N1CC[NH+](CCNC(=O)C[C@H]2CCOc3ccccc32)CC1 ZINC000329407459 465324159 /nfs/dbraw/zinc/32/41/59/465324159.db2.gz CJMUEXGJBHXFAE-MRXNPFEDSA-N 1 2 345.443 2.063 10 30 EEEELO N#Cc1ccc([C@H]([NH2+][C@@H](CO)c2ccc(Cl)cc2)C(N)=O)cc1 ZINC000351949504 465458933 /nfs/dbraw/zinc/45/89/33/465458933.db2.gz PYJRQIDQCZYDOJ-HOTGVXAUSA-N 1 2 329.787 2.061 10 30 EEEELO COC(=O)[C@H]([C@@H](C)O)[N@H+](Cc1ccccc1)Cc1ccc(C#N)cc1 ZINC000351980845 465466314 /nfs/dbraw/zinc/46/63/14/465466314.db2.gz FMGGEECNXQBMFM-BEFAXECRSA-N 1 2 338.407 2.483 10 30 EEEELO COC(=O)[C@H]([C@@H](C)O)[N@@H+](Cc1ccccc1)Cc1ccc(C#N)cc1 ZINC000351980845 465466316 /nfs/dbraw/zinc/46/63/16/465466316.db2.gz FMGGEECNXQBMFM-BEFAXECRSA-N 1 2 338.407 2.483 10 30 EEEELO C[C@H](O)CNc1[nH+]c2ccccc2n1CCOc1ccccc1C#N ZINC000360286083 465552893 /nfs/dbraw/zinc/55/28/93/465552893.db2.gz MQJBYCLZQPWLCE-AWEZNQCLSA-N 1 2 336.395 2.780 10 30 EEEELO C=CCc1cc(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)cc(OC)c1OC ZINC000371272166 465679388 /nfs/dbraw/zinc/67/93/88/465679388.db2.gz ABNUAFFSDWVLQR-AWEZNQCLSA-N 1 2 341.411 2.443 10 30 EEEELO C=CCc1cc(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)cc(OC)c1OC ZINC000371272166 465679397 /nfs/dbraw/zinc/67/93/97/465679397.db2.gz ABNUAFFSDWVLQR-AWEZNQCLSA-N 1 2 341.411 2.443 10 30 EEEELO CN(CC1CCOCC1)C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000330559108 465707081 /nfs/dbraw/zinc/70/70/81/465707081.db2.gz GZTGFMMOTXHAKR-UHFFFAOYSA-N 1 2 334.342 2.218 10 30 EEEELO C=CCOc1ccc(C[N@H+]2CCN(S(=O)(=O)CC)C[C@H]2C)cc1 ZINC000349005041 465916566 /nfs/dbraw/zinc/91/65/66/465916566.db2.gz KUADTMDCHDLDRM-OAHLLOKOSA-N 1 2 338.473 2.107 10 30 EEEELO C=CCOc1ccc(C[N@@H+]2CCN(S(=O)(=O)CC)C[C@H]2C)cc1 ZINC000349005041 465916574 /nfs/dbraw/zinc/91/65/74/465916574.db2.gz KUADTMDCHDLDRM-OAHLLOKOSA-N 1 2 338.473 2.107 10 30 EEEELO CC[N@@H+]1CC[C@H](NC(=O)NC[C@H](C)O)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000331217402 465982708 /nfs/dbraw/zinc/98/27/08/465982708.db2.gz QOFQUWMKUFCDIQ-FGEZKYSXSA-N 1 2 345.365 2.124 10 30 EEEELO CC[N@H+]1CC[C@H](NC(=O)NC[C@H](C)O)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000331217402 465982710 /nfs/dbraw/zinc/98/27/10/465982710.db2.gz QOFQUWMKUFCDIQ-FGEZKYSXSA-N 1 2 345.365 2.124 10 30 EEEELO C=CCCC[C@@H](C)NC(=O)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000340509927 466142255 /nfs/dbraw/zinc/14/22/55/466142255.db2.gz KUSMTGROWBKUQQ-OAHLLOKOSA-N 1 2 344.459 2.028 10 30 EEEELO C=CCOc1ccc(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)cc1OC ZINC000370343117 466842406 /nfs/dbraw/zinc/84/24/06/466842406.db2.gz YWQLHYCLHKGTLS-ZDUSSCGKSA-N 1 2 327.384 2.270 10 30 EEEELO C=CCOc1ccc(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)cc1OC ZINC000370343117 466842412 /nfs/dbraw/zinc/84/24/12/466842412.db2.gz YWQLHYCLHKGTLS-ZDUSSCGKSA-N 1 2 327.384 2.270 10 30 EEEELO C[C@@H](C#N)Oc1ccccc1NC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000377746028 467131273 /nfs/dbraw/zinc/13/12/73/467131273.db2.gz NUNFBPAZHIORMU-RYUDHWBXSA-N 1 2 325.372 2.380 10 30 EEEELO C[C@@H](C#N)Oc1ccccc1NC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000377746028 467131277 /nfs/dbraw/zinc/13/12/77/467131277.db2.gz NUNFBPAZHIORMU-RYUDHWBXSA-N 1 2 325.372 2.380 10 30 EEEELO C[C@H]1C[N@H+](Cc2cc(C#N)cs2)CCN1C(=O)c1cscn1 ZINC000453570031 467497578 /nfs/dbraw/zinc/49/75/78/467497578.db2.gz BWTGTJCZPSKTBZ-NSHDSACASA-N 1 2 332.454 2.423 10 30 EEEELO C[C@H]1C[N@@H+](Cc2cc(C#N)cs2)CCN1C(=O)c1cscn1 ZINC000453570031 467497580 /nfs/dbraw/zinc/49/75/80/467497580.db2.gz BWTGTJCZPSKTBZ-NSHDSACASA-N 1 2 332.454 2.423 10 30 EEEELO N#Cc1ccc(CC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)cn1 ZINC000528035088 467672017 /nfs/dbraw/zinc/67/20/17/467672017.db2.gz VBKVUOVLWHUCOE-UHFFFAOYSA-N 1 2 335.411 2.197 10 30 EEEELO N#CC1(C[C@@H](O)C[N@@H+]2CCN(Cc3cccc(Cl)c3)C(=O)C2)CC1 ZINC000528405170 467683313 /nfs/dbraw/zinc/68/33/13/467683313.db2.gz QJRHHZQCUYYGGT-MRXNPFEDSA-N 1 2 347.846 2.039 10 30 EEEELO N#CC1(C[C@@H](O)C[N@H+]2CCN(Cc3cccc(Cl)c3)C(=O)C2)CC1 ZINC000528405170 467683315 /nfs/dbraw/zinc/68/33/15/467683315.db2.gz QJRHHZQCUYYGGT-MRXNPFEDSA-N 1 2 347.846 2.039 10 30 EEEELO C=CCC[C@H](CO)NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000457769622 467700532 /nfs/dbraw/zinc/70/05/32/467700532.db2.gz FJVBOWQHGNFWER-QGZVFWFLSA-N 1 2 328.416 2.058 10 30 EEEELO C[C@@H]1C[C@H](NS(=O)(=O)c2ccc(Cl)c(C#N)c2)c2[nH+]ccn21 ZINC000516540119 468032613 /nfs/dbraw/zinc/03/26/13/468032613.db2.gz HBZJENKRUFIEGG-RNCFNFMXSA-N 1 2 336.804 2.392 10 30 EEEELO N#Cc1ccc(C(=O)N2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)[nH]1 ZINC000600677773 468618257 /nfs/dbraw/zinc/61/82/57/468618257.db2.gz AXEHQCOTIBODEZ-UHFFFAOYSA-N 1 2 333.395 2.326 10 30 EEEELO Cn1cc(C#N)cc1C(=O)N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000600677904 468618482 /nfs/dbraw/zinc/61/84/82/468618482.db2.gz CRBMFHCCQPURAH-UHFFFAOYSA-N 1 2 347.422 2.336 10 30 EEEELO Cn1c(C#N)ccc1C(=O)N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000600678256 468618559 /nfs/dbraw/zinc/61/85/59/468618559.db2.gz OZTGHZGBHVGKSI-UHFFFAOYSA-N 1 2 347.422 2.336 10 30 EEEELO N#Cc1cc(Br)ccc1C[N@@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000595606514 468919360 /nfs/dbraw/zinc/91/93/60/468919360.db2.gz HIBGQQBCSCIQLJ-LBPRGKRZSA-N 1 2 346.232 2.434 10 30 EEEELO N#Cc1cc(Br)ccc1C[N@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000595606514 468919364 /nfs/dbraw/zinc/91/93/64/468919364.db2.gz HIBGQQBCSCIQLJ-LBPRGKRZSA-N 1 2 346.232 2.434 10 30 EEEELO COc1cc(C[NH2+][C@@H]2CS(=O)(=O)Cc3ccccc32)ccc1C#N ZINC000598675980 468955296 /nfs/dbraw/zinc/95/52/96/468955296.db2.gz BYDBQQSOVRRJSF-QGZVFWFLSA-N 1 2 342.420 2.326 10 30 EEEELO Cc1nnc([C@H]2C[N@@H+](CCOc3ccccc3C#N)C[C@@H](C)O2)o1 ZINC000595796129 469015284 /nfs/dbraw/zinc/01/52/84/469015284.db2.gz PEKSMDNBOWRWTJ-MLGOLLRUSA-N 1 2 328.372 2.091 10 30 EEEELO Cc1nnc([C@H]2C[N@H+](CCOc3ccccc3C#N)C[C@@H](C)O2)o1 ZINC000595796129 469015289 /nfs/dbraw/zinc/01/52/89/469015289.db2.gz PEKSMDNBOWRWTJ-MLGOLLRUSA-N 1 2 328.372 2.091 10 30 EEEELO C[C@@H]1[C@H](C)N(S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)CC[N@H+]1C ZINC000593572421 469041952 /nfs/dbraw/zinc/04/19/52/469041952.db2.gz NXOFUKFAZIQTNO-KGLIPLIRSA-N 1 2 335.473 2.201 10 30 EEEELO C[C@@H]1[C@H](C)N(S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)CC[N@@H+]1C ZINC000593572421 469041959 /nfs/dbraw/zinc/04/19/59/469041959.db2.gz NXOFUKFAZIQTNO-KGLIPLIRSA-N 1 2 335.473 2.201 10 30 EEEELO N#Cc1c(F)cccc1NC[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000599183508 469152895 /nfs/dbraw/zinc/15/28/95/469152895.db2.gz QJMDRVXEWSOBBF-HNNXBMFYSA-N 1 2 326.375 2.405 10 30 EEEELO N#Cc1c(F)cccc1NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000599183508 469152905 /nfs/dbraw/zinc/15/29/05/469152905.db2.gz QJMDRVXEWSOBBF-HNNXBMFYSA-N 1 2 326.375 2.405 10 30 EEEELO CC[C@H](C(=O)NCc1ccc(CC#N)cc1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000574208467 469269935 /nfs/dbraw/zinc/26/99/35/469269935.db2.gz OFKTXEHVRVNEPR-ZWKOTPCHSA-N 1 2 329.444 2.258 10 30 EEEELO CC[C@H](C(=O)NCc1ccc(CC#N)cc1)[N@H+]1CCO[C@@H](CC)C1 ZINC000574208467 469269942 /nfs/dbraw/zinc/26/99/42/469269942.db2.gz OFKTXEHVRVNEPR-ZWKOTPCHSA-N 1 2 329.444 2.258 10 30 EEEELO COC(=O)C1C[C@@H](C)[NH+](CC(=O)Nc2oc(C)c(C)c2C#N)[C@H](C)C1 ZINC000599705752 469344755 /nfs/dbraw/zinc/34/47/55/469344755.db2.gz HEVIZLKGCIEXNK-GHMZBOCLSA-N 1 2 347.415 2.369 10 30 EEEELO C=C1CC(C)(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)C1 ZINC000633610962 470530630 /nfs/dbraw/zinc/53/06/30/470530630.db2.gz IQSTVKOHSXVGAX-MSOLQXFVSA-N 1 2 326.440 2.455 10 30 EEEELO C=C1CC(C)(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)C1 ZINC000633610962 470530637 /nfs/dbraw/zinc/53/06/37/470530637.db2.gz IQSTVKOHSXVGAX-MSOLQXFVSA-N 1 2 326.440 2.455 10 30 EEEELO C=CC[C@H]1CCCC[C@@H]1NC(=O)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000669019455 471351987 /nfs/dbraw/zinc/35/19/87/471351987.db2.gz DGZYWGHWPDAPSD-HOTGVXAUSA-N 1 2 340.427 2.202 10 30 EEEELO C[NH+]1CCC(C#N)(NC(=O)c2cccc(C(=O)c3ccco3)c2)CC1 ZINC000668391631 472113462 /nfs/dbraw/zinc/11/34/62/472113462.db2.gz UINCIVBBRXRKRK-UHFFFAOYSA-N 1 2 337.379 2.228 10 30 EEEELO C=C(Br)C[N@H+]1CCC[C@@H]1CNC(=O)CO[C@H](C)CC ZINC001481035680 1179570669 /nfs/dbraw/zinc/57/06/69/1179570669.db2.gz KUEMZSZFPCJSPE-CHWSQXEVSA-N 1 2 333.270 2.291 10 30 EEEELO C=C(Br)C[N@@H+]1CCC[C@@H]1CNC(=O)CO[C@H](C)CC ZINC001481035680 1179570671 /nfs/dbraw/zinc/57/06/71/1179570671.db2.gz KUEMZSZFPCJSPE-CHWSQXEVSA-N 1 2 333.270 2.291 10 30 EEEELO OCC[C@H]1COCC[N@@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000767587372 577540531 /nfs/dbraw/zinc/54/05/31/577540531.db2.gz KGVGLHXUFLERLT-AWEZNQCLSA-N 1 2 329.318 2.020 10 30 EEEELO OCC[C@H]1COCC[N@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000767587372 577540532 /nfs/dbraw/zinc/54/05/32/577540532.db2.gz KGVGLHXUFLERLT-AWEZNQCLSA-N 1 2 329.318 2.020 10 30 EEEELO CN(Cc1cnn(-c2ccccc2)n1)Cc1c[nH+]c2ccc(C#N)cn12 ZINC000768781636 577562380 /nfs/dbraw/zinc/56/23/80/577562380.db2.gz HPDHXGZPHYBSFZ-UHFFFAOYSA-N 1 2 343.394 2.419 10 30 EEEELO Cc1[nH+]cc(C=NN2CN=NC2=O)n1-c1ccc(Br)cc1 ZINC000770615178 577599968 /nfs/dbraw/zinc/59/99/68/577599968.db2.gz IHVITTLAGYGUTB-UHFFFAOYSA-N 1 2 347.176 2.123 10 30 EEEELO N#Cc1ccccc1N1CCC(NC(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000750891265 577744574 /nfs/dbraw/zinc/74/45/74/577744574.db2.gz YKMQLVNTMUTNRA-HNNXBMFYSA-N 1 2 349.438 2.102 10 30 EEEELO N#Cc1cc(CS(=O)(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cs1 ZINC000914236942 683399616 /nfs/dbraw/zinc/39/96/16/683399616.db2.gz IUCANIQMHMSHNZ-GFCCVEGCSA-N 1 2 336.442 2.052 10 30 EEEELO C#CCCCOc1ccc[nH+]c1NC1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000896262570 684920741 /nfs/dbraw/zinc/92/07/41/684920741.db2.gz XWBGYBNBLFNHFV-GOOCMWNKSA-N 1 2 334.441 2.394 10 30 EEEELO C=CC1(CC(=O)N[C@@H](C)C2C[NH+](Cc3cnnn3C)C2)CCCCC1 ZINC001485526216 1191826292 /nfs/dbraw/zinc/82/62/92/1191826292.db2.gz HMVBGZRPFQDTRE-HNNXBMFYSA-N 1 2 345.491 2.278 10 30 EEEELO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)CCCc3ccsc3)C2)C1 ZINC001485557246 1191835246 /nfs/dbraw/zinc/83/52/46/1191835246.db2.gz XDVDHGUUIAFKNT-GOSISDBHSA-N 1 2 332.469 2.007 10 30 EEEELO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)CCCc3ccsc3)C2)C1 ZINC001485557246 1191835247 /nfs/dbraw/zinc/83/52/47/1191835247.db2.gz XDVDHGUUIAFKNT-GOSISDBHSA-N 1 2 332.469 2.007 10 30 EEEELO C[C@H](C#N)C(=O)N[C@@H]1C[N@H+](Cc2nc3ccccc3n2C)CC1(C)C ZINC001485563554 1191843601 /nfs/dbraw/zinc/84/36/01/1191843601.db2.gz MJHLPEIISZVDQE-CZUORRHYSA-N 1 2 339.443 2.060 10 30 EEEELO C[C@H](C#N)C(=O)N[C@@H]1C[N@@H+](Cc2nc3ccccc3n2C)CC1(C)C ZINC001485563554 1191843602 /nfs/dbraw/zinc/84/36/02/1191843602.db2.gz MJHLPEIISZVDQE-CZUORRHYSA-N 1 2 339.443 2.060 10 30 EEEELO C[C@H](C#N)C(=O)N[C@H]1C[N@H+](Cc2nc3ccccc3n2C)CC1(C)C ZINC001485563552 1191843722 /nfs/dbraw/zinc/84/37/22/1191843722.db2.gz MJHLPEIISZVDQE-CJNGLKHVSA-N 1 2 339.443 2.060 10 30 EEEELO C[C@H](C#N)C(=O)N[C@H]1C[N@@H+](Cc2nc3ccccc3n2C)CC1(C)C ZINC001485563552 1191843723 /nfs/dbraw/zinc/84/37/23/1191843723.db2.gz MJHLPEIISZVDQE-CJNGLKHVSA-N 1 2 339.443 2.060 10 30 EEEELO C#CCCCCCC(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3nnc(C)s3)C[C@H]21 ZINC001485612952 1191862256 /nfs/dbraw/zinc/86/22/56/1191862256.db2.gz UDRKHVZXAFAHRR-PHZGNYQRSA-N 1 2 346.500 2.224 10 30 EEEELO C#CCCCCCC(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3nnc(C)s3)C[C@H]21 ZINC001485612952 1191862258 /nfs/dbraw/zinc/86/22/58/1191862258.db2.gz UDRKHVZXAFAHRR-PHZGNYQRSA-N 1 2 346.500 2.224 10 30 EEEELO C=CCC1(C(=O)N2CCC([N@@H+](C)Cc3ncnn3C)CC2)CCCC1 ZINC001485769267 1191942553 /nfs/dbraw/zinc/94/25/53/1191942553.db2.gz JNUIWSNBDSPSPG-UHFFFAOYSA-N 1 2 345.491 2.374 10 30 EEEELO C=CCC1(C(=O)N2CCC([N@H+](C)Cc3ncnn3C)CC2)CCCC1 ZINC001485769267 1191942555 /nfs/dbraw/zinc/94/25/55/1191942555.db2.gz JNUIWSNBDSPSPG-UHFFFAOYSA-N 1 2 345.491 2.374 10 30 EEEELO C=CCOCC(=O)N[C@@H]1CC[N@H+](Cc2ncc(-c3ccccc3)o2)C1 ZINC001266310610 1176213058 /nfs/dbraw/zinc/21/30/58/1176213058.db2.gz JAFJCKKHQMNQIF-MRXNPFEDSA-N 1 2 341.411 2.235 10 30 EEEELO C=CCOCC(=O)N[C@@H]1CC[N@@H+](Cc2ncc(-c3ccccc3)o2)C1 ZINC001266310610 1176213070 /nfs/dbraw/zinc/21/30/70/1176213070.db2.gz JAFJCKKHQMNQIF-MRXNPFEDSA-N 1 2 341.411 2.235 10 30 EEEELO C=C[C@@H](CC)CC(=O)N[C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001687170598 1176368974 /nfs/dbraw/zinc/36/89/74/1176368974.db2.gz RJOFEBLTVKXDMB-LSDHHAIUSA-N 1 2 340.427 2.267 10 30 EEEELO C=CC(C)(C)CC(=O)N[C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001687171617 1176372882 /nfs/dbraw/zinc/37/28/82/1176372882.db2.gz QOPRHOJWFASJSC-CYBMUJFWSA-N 1 2 332.448 2.007 10 30 EEEELO COCC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)c1ccsc1 ZINC001266494782 1176635096 /nfs/dbraw/zinc/63/50/96/1176635096.db2.gz ZRBUVNCUVFWKJO-BHYGNILZSA-N 1 2 332.469 2.177 10 30 EEEELO COCC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)c1ccsc1 ZINC001266494782 1176635105 /nfs/dbraw/zinc/63/51/05/1176635105.db2.gz ZRBUVNCUVFWKJO-BHYGNILZSA-N 1 2 332.469 2.177 10 30 EEEELO C=CCCC(=O)N[C@@H]1CCCCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001719595179 1176648113 /nfs/dbraw/zinc/64/81/13/1176648113.db2.gz WCCBNYPCMIVWKN-BZUAXINKSA-N 1 2 344.459 2.367 10 30 EEEELO C=CCCC(=O)N[C@@H]1CCCCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001719595179 1176648124 /nfs/dbraw/zinc/64/81/24/1176648124.db2.gz WCCBNYPCMIVWKN-BZUAXINKSA-N 1 2 344.459 2.367 10 30 EEEELO C=C(C)C(C)(C)C(=O)NC[C@H]1CC[N@@H+]([C@@H](C)c2nnnn2C2CC2)C1 ZINC001266525079 1176738227 /nfs/dbraw/zinc/73/82/27/1176738227.db2.gz CKBJCFDNZCUMSG-UONOGXRCSA-N 1 2 346.479 2.109 10 30 EEEELO C=C(C)C(C)(C)C(=O)NC[C@H]1CC[N@H+]([C@@H](C)c2nnnn2C2CC2)C1 ZINC001266525079 1176738235 /nfs/dbraw/zinc/73/82/35/1176738235.db2.gz CKBJCFDNZCUMSG-UONOGXRCSA-N 1 2 346.479 2.109 10 30 EEEELO C=CC(C)(C)C(=O)NC[C@H]1CC[N@@H+](Cc2ncnn2C(C)(C)C)C1 ZINC001266525409 1176739185 /nfs/dbraw/zinc/73/91/85/1176739185.db2.gz IMNRJFGSTPOUHD-CQSZACIVSA-N 1 2 333.480 2.183 10 30 EEEELO C=CC(C)(C)C(=O)NC[C@H]1CC[N@H+](Cc2ncnn2C(C)(C)C)C1 ZINC001266525409 1176739190 /nfs/dbraw/zinc/73/91/90/1176739190.db2.gz IMNRJFGSTPOUHD-CQSZACIVSA-N 1 2 333.480 2.183 10 30 EEEELO C=C[C@@H](CC)CC(=O)N1CC[C@H]([NH2+]Cc2nc(CC3CC3)no2)C1 ZINC001266543836 1176800418 /nfs/dbraw/zinc/80/04/18/1176800418.db2.gz YOXKWTINJKPAMR-ZFWWWQNUSA-N 1 2 332.448 2.315 10 30 EEEELO C=C[C@@](C)(CC)C(=O)N[C@@H](C[NH2+]Cc1nnn(C(C)(C)C)n1)C1CC1 ZINC001670518090 1176859664 /nfs/dbraw/zinc/85/96/64/1176859664.db2.gz WWAFHYARUDWZIK-KSSFIOAISA-N 1 2 348.495 2.015 10 30 EEEELO C=C1CCC(C(=O)NC[C@@H]2CC[N@H+]2[C@H](C)C(=O)NCCCC)CC1 ZINC001670687732 1177000265 /nfs/dbraw/zinc/00/02/65/1177000265.db2.gz XDYQOAFTKBOXHY-WBVHZDCISA-N 1 2 335.492 2.228 10 30 EEEELO C=C1CCC(C(=O)NC[C@@H]2CC[N@@H+]2[C@H](C)C(=O)NCCCC)CC1 ZINC001670687732 1177000273 /nfs/dbraw/zinc/00/02/73/1177000273.db2.gz XDYQOAFTKBOXHY-WBVHZDCISA-N 1 2 335.492 2.228 10 30 EEEELO C=C(C)C(C)(C)C(=O)NC[C@H]1CCC[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001746962432 1177033570 /nfs/dbraw/zinc/03/35/70/1177033570.db2.gz LGJQXICNWCJOHD-HZPDHXFCSA-N 1 2 346.475 2.277 10 30 EEEELO Cc1nnsc1C[N@@H+]1CCCC[C@H]1CNC(=O)C#CC(C)(C)C ZINC001266842357 1177522558 /nfs/dbraw/zinc/52/25/58/1177522558.db2.gz MCKAHQABPMVALV-AWEZNQCLSA-N 1 2 334.489 2.367 10 30 EEEELO Cc1nnsc1C[N@H+]1CCCC[C@H]1CNC(=O)C#CC(C)(C)C ZINC001266842357 1177522563 /nfs/dbraw/zinc/52/25/63/1177522563.db2.gz MCKAHQABPMVALV-AWEZNQCLSA-N 1 2 334.489 2.367 10 30 EEEELO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)c1ccoc1C(C)C ZINC001691074888 1177528000 /nfs/dbraw/zinc/52/80/00/1177528000.db2.gz JHRYVXCIIDYOLE-CABCVRRESA-N 1 2 347.459 2.240 10 30 EEEELO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccoc1C(C)C ZINC001691074888 1177528008 /nfs/dbraw/zinc/52/80/08/1177528008.db2.gz JHRYVXCIIDYOLE-CABCVRRESA-N 1 2 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2.197 10 30 EEEELO C=C[C@](C)(CC)C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H](C)c3nc(CC)no3)C[C@H]21 ZINC001491324805 1258951619 /nfs/dbraw/zinc/95/16/19/1258951619.db2.gz OKKUAWKVQKWUPI-TYIOGAMESA-N 1 2 332.448 2.342 10 30 EEEELO C=C[C@](C)(CC)C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)c3nc(CC)no3)C[C@H]21 ZINC001491324805 1258951623 /nfs/dbraw/zinc/95/16/23/1258951623.db2.gz OKKUAWKVQKWUPI-TYIOGAMESA-N 1 2 332.448 2.342 10 30 EEEELO C=CC1(CC(=O)NCCNC(=O)CCc2[nH+]ccn2C)CCCCC1 ZINC001491450784 1259094864 /nfs/dbraw/zinc/09/48/64/1259094864.db2.gz SHDFSRQAKYGZMY-UHFFFAOYSA-N 1 2 346.475 2.112 10 30 EEEELO C=CCCCC(=O)N1CC[C@]2(CC[N@@H+](Cc3cnn(CC)n3)C2)C1 ZINC001671080430 1278397981 /nfs/dbraw/zinc/39/79/81/1278397981.db2.gz KARHUMNRTYSYFJ-SFHVURJKSA-N 1 2 331.464 2.079 10 30 EEEELO C=CCCCC(=O)N1CC[C@]2(CC[N@H+](Cc3cnn(CC)n3)C2)C1 ZINC001671080430 1278397985 /nfs/dbraw/zinc/39/79/85/1278397985.db2.gz KARHUMNRTYSYFJ-SFHVURJKSA-N 1 2 331.464 2.079 10 30 EEEELO C#CCCCC(=O)NC[C@@H]1CCC2(C[NH+](Cc3ccccc3)C2)O1 ZINC001273653887 1282342920 /nfs/dbraw/zinc/34/29/20/1282342920.db2.gz CIJCAUKFMZUHKK-SFHVURJKSA-N 1 2 326.440 2.340 10 30 EEEELO C=CCOCC[NH+]1CC2(C1)CC[C@H](CNC(=O)C1CCC=CCC1)O2 ZINC001273668910 1282820564 /nfs/dbraw/zinc/82/05/64/1282820564.db2.gz JDSUPEMSHZZYFU-GOSISDBHSA-N 1 2 348.487 2.285 10 30 EEEELO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)CCOc1cccc(C)c1)CO2 ZINC001273729580 1284286775 /nfs/dbraw/zinc/28/67/75/1284286775.db2.gz VJSBAVRDKBMQJI-QGZVFWFLSA-N 1 2 344.455 2.300 10 30 EEEELO CC#CC[NH2+]Cc1nc2c(s1)CCN(C(=O)CC(F)(F)F)C2 ZINC001489334712 1290516715 /nfs/dbraw/zinc/51/67/15/1290516715.db2.gz ASPNSXMURXGBBF-UHFFFAOYSA-N 1 2 331.363 2.093 10 30 EEEELO C=C1CC(C)(C(=O)N[C@H]2C[C@@H](CNC(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001489829547 1290778690 /nfs/dbraw/zinc/77/86/90/1290778690.db2.gz ZKZVYADDMJUIJF-IYBDPMFKSA-N 1 2 344.459 2.031 10 30 EEEELO CC(C)Cc1noc(C[N@H+](C)CCCNC(=O)C#CC(C)(C)C)n1 ZINC001490193773 1291027087 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C=CC(C)(C)CC(=O)N1CC2(C1)CCC[N@@H+](Cc1nonc1C)C2 ZINC001276863114 1299975108 /nfs/dbraw/zinc/97/51/08/1299975108.db2.gz YXTPKGLXYRSAFR-UHFFFAOYSA-N 1 2 332.448 2.405 10 30 EEEELO C=CC(C)(C)CC(=O)N1CC2(C1)CCC[N@H+](Cc1nonc1C)C2 ZINC001276863114 1299975111 /nfs/dbraw/zinc/97/51/11/1299975111.db2.gz YXTPKGLXYRSAFR-UHFFFAOYSA-N 1 2 332.448 2.405 10 30 EEEELO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H]1CNC(=O)c1cccc(C(C)C)c1 ZINC001276947536 1300427866 /nfs/dbraw/zinc/42/78/66/1300427866.db2.gz GJOVKPFEUJMTQI-QAPCUYQASA-N 1 2 343.471 2.305 10 30 EEEELO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H]1CNC(=O)c1cccc(C(C)C)c1 ZINC001276947536 1300427871 /nfs/dbraw/zinc/42/78/71/1300427871.db2.gz GJOVKPFEUJMTQI-QAPCUYQASA-N 1 2 343.471 2.305 10 30 EEEELO COCC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(OC2CCC2)cc1 ZINC001276977513 1300631313 /nfs/dbraw/zinc/63/13/13/1300631313.db2.gz IJNYOYNYXCDHIW-QGZVFWFLSA-N 1 2 342.439 2.072 10 30 EEEELO COCC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(OC2CCC2)cc1 ZINC001276977513 1300631316 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2.395 10 30 EEEELO C=C(Br)C[N@@H+]1CC=C(CNC(=O)[C@@H](C)SC)CC1 ZINC001508192196 1115438913 /nfs/dbraw/zinc/43/89/13/1115438913.db2.gz BEXPLHYGVMNPNY-LLVKDONJSA-N 1 2 333.295 2.395 10 30 EEEELO C=CC(C)(C)C(=O)NC1CC(CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001508404096 1115508362 /nfs/dbraw/zinc/50/83/62/1115508362.db2.gz BSMMDDLJQZMVOT-WLYUNCDWSA-N 1 2 332.448 2.057 10 30 EEEELO C=C1CCC(C(=O)N[C@H](C)[C@@H](C)NC(=O)CCc2c[nH+]cn2C)CC1 ZINC001508603630 1115579918 /nfs/dbraw/zinc/57/99/18/1115579918.db2.gz XQAWGFCTQDNFLL-HUUCEWRRSA-N 1 2 346.475 2.109 10 30 EEEELO C=C1CC(C)(C(=O)N[C@H](CCCC)CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001509327779 1115801476 /nfs/dbraw/zinc/80/14/76/1115801476.db2.gz GJEIVWOREFGOLX-OAHLLOKOSA-N 1 2 346.475 2.110 10 30 EEEELO C=CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)Cc2[nH]c[nH+]c2C)[C@@H](C)C1 ZINC001512754479 1118664135 /nfs/dbraw/zinc/66/41/35/1118664135.db2.gz UFMBFUJNRAHUIB-ZFWWWQNUSA-N 1 2 346.475 2.074 10 30 EEEELO C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N1CCC[C@@H](C(C)(C)O)C1 ZINC001515031618 1118929439 /nfs/dbraw/zinc/92/94/39/1118929439.db2.gz MMNDEOJZDUWDIN-MRXNPFEDSA-N 1 2 347.507 2.437 10 30 EEEELO C=CCCCC(=O)N1CCC[C@H](C)[C@@H]1CCNC(=O)Cn1cc[nH+]c1 ZINC001515200832 1118949405 /nfs/dbraw/zinc/94/94/05/1118949405.db2.gz JCGOROCYLKYWOW-IRXDYDNUSA-N 1 2 346.475 2.373 10 30 EEEELO C=CCCCC(=O)N[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)CC(C)(C)C1 ZINC001521253212 1119231224 /nfs/dbraw/zinc/23/12/24/1119231224.db2.gz UNGAIZBMPRZOEZ-OAHLLOKOSA-N 1 2 346.475 2.442 10 30 EEEELO C=CCCCC(=O)N(C)[C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001523125542 1119657003 /nfs/dbraw/zinc/65/70/03/1119657003.db2.gz BDSRDSSMYBPOLS-CQSZACIVSA-N 1 2 332.448 2.103 10 30 EEEELO C=C[C@](C)(CC)C(=O)N1CCC[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001523325841 1119754334 /nfs/dbraw/zinc/75/43/34/1119754334.db2.gz RNHSHRDAVBQHAY-KBXCAEBGSA-N 1 2 332.448 2.052 10 30 EEEELO C=C(C)Cn1c(N2CCC[C@H](CC)C2)nnc1[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001523779130 1119860827 /nfs/dbraw/zinc/86/08/27/1119860827.db2.gz SXVLLBBFQXVFKY-FRQCXROJSA-N 1 2 347.507 2.392 10 30 EEEELO C=C(C)Cn1c(N2CCC[C@H](CC)C2)nnc1[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC001523779130 1119860829 /nfs/dbraw/zinc/86/08/29/1119860829.db2.gz SXVLLBBFQXVFKY-FRQCXROJSA-N 1 2 347.507 2.392 10 30 EEEELO C=C[C@@H](CC)CC(=O)NC[C@@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001525962110 1120393574 /nfs/dbraw/zinc/39/35/74/1120393574.db2.gz XEPLHSZFZDJUTL-HOTGVXAUSA-N 1 2 346.475 2.218 10 30 EEEELO C=CCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001527157417 1120695934 /nfs/dbraw/zinc/69/59/34/1120695934.db2.gz BJZVHKOKVCXAJE-INIZCTEOSA-N 1 2 346.475 2.230 10 30 EEEELO C=CCC1(C(=O)NC[C@H]2CCCN2C(=O)CCn2cc[nH+]c2)CCC1 ZINC001529422776 1121436461 /nfs/dbraw/zinc/43/64/61/1121436461.db2.gz JHULINUTEVJTRK-MRXNPFEDSA-N 1 2 344.459 2.127 10 30 EEEELO C=CCC(C)(C)C(=O)N1CC[NH+](CCN(C)C(=O)C=C(C)C)CC1 ZINC001530105596 1121773733 /nfs/dbraw/zinc/77/37/33/1121773733.db2.gz YKWQKOLBOZISIX-UHFFFAOYSA-N 1 2 335.492 2.158 10 30 EEEELO C=CC(C)(C)CC(=O)N(C)CC[NH+]1CCN(C(=O)/C(C)=C/C)CC1 ZINC001530108361 1121774378 /nfs/dbraw/zinc/77/43/78/1121774378.db2.gz UPMWYOQJFONYQE-FRKPEAEDSA-N 1 2 335.492 2.158 10 30 EEEELO C=C[C@H](CC)CC(=O)N(C)CC[NH+]1CCN(C(=O)/C=C\C2CC2)CC1 ZINC001530109058 1121774713 /nfs/dbraw/zinc/77/47/13/1121774713.db2.gz ARZRQEYKIFETAP-XZVRFQMRSA-N 1 2 347.503 2.158 10 30 EEEELO C=CCCCC(=O)NCC1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001530878523 1122146949 /nfs/dbraw/zinc/14/69/49/1122146949.db2.gz GSYMYUVPTAIYRP-UHFFFAOYSA-N 1 2 340.427 2.187 10 30 EEEELO C=CC(C)(C)C(=O)NC[C@H](CC(C)C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001532474446 1122761176 /nfs/dbraw/zinc/76/11/76/1122761176.db2.gz DKLHUHVZUGUMBI-RRFJBIMHSA-N 1 2 346.475 2.373 10 30 EEEELO C=CC(C)(C)C(=O)NC[C@H](CC(C)C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001532474446 1122761178 /nfs/dbraw/zinc/76/11/78/1122761178.db2.gz DKLHUHVZUGUMBI-RRFJBIMHSA-N 1 2 346.475 2.373 10 30 EEEELO C=CCCC(=O)NC[C@@H]1CCN1C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001534726503 1123396404 /nfs/dbraw/zinc/39/64/04/1123396404.db2.gz XZOZFPGZDPBBER-KRWDZBQOSA-N 1 2 338.411 2.169 10 30 EEEELO O=C(/C=C\c1ccc(F)cc1)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC001542904797 1124117889 /nfs/dbraw/zinc/11/78/89/1124117889.db2.gz VEGCJWWYWJGVKO-KQQSKNTNSA-N 1 2 327.359 2.468 10 30 EEEELO C=C[C@](C)(CC)C(=O)NCC1C[NH+](CC(=O)N(C)c2ccccc2)C1 ZINC001567840106 1124136593 /nfs/dbraw/zinc/13/65/93/1124136593.db2.gz GYUOBUJNMKZTBG-HXUWFJFHSA-N 1 2 343.471 2.300 10 30 EEEELO C=CCC(C)(C)C(=O)N(C)[C@H]1CC[N@H+](CC(=O)NCC2CCC2)C1 ZINC001567922578 1124182018 /nfs/dbraw/zinc/18/20/18/1124182018.db2.gz VRHOAXSONMSCNQ-INIZCTEOSA-N 1 2 335.492 2.038 10 30 EEEELO C=CCC(C)(C)C(=O)N(C)[C@H]1CC[N@@H+](CC(=O)NCC2CCC2)C1 ZINC001567922578 1124182020 /nfs/dbraw/zinc/18/20/20/1124182020.db2.gz VRHOAXSONMSCNQ-INIZCTEOSA-N 1 2 335.492 2.038 10 30 EEEELO C=CCCC(=O)NC[C@H]1C[N@H+](CCOc2cc(C)ccc2C)CCO1 ZINC001568215609 1124359847 /nfs/dbraw/zinc/35/98/47/1124359847.db2.gz WNNYHJULPKAMTH-SFHVURJKSA-N 1 2 346.471 2.465 10 30 EEEELO C=CCCC(=O)NC[C@H]1C[N@@H+](CCOc2cc(C)ccc2C)CCO1 ZINC001568215609 1124359849 /nfs/dbraw/zinc/35/98/49/1124359849.db2.gz WNNYHJULPKAMTH-SFHVURJKSA-N 1 2 346.471 2.465 10 30 EEEELO C=CC[N@@H+]1CCO[C@H](CNC(=O)CCOc2ccccc2CC)C1 ZINC001568226894 1124370826 /nfs/dbraw/zinc/37/08/26/1124370826.db2.gz OEKJCDVPWGFAGV-QGZVFWFLSA-N 1 2 332.444 2.021 10 30 EEEELO C=CC[N@H+]1CCO[C@H](CNC(=O)CCOc2ccccc2CC)C1 ZINC001568226894 1124370833 /nfs/dbraw/zinc/37/08/33/1124370833.db2.gz OEKJCDVPWGFAGV-QGZVFWFLSA-N 1 2 332.444 2.021 10 30 EEEELO C#Cc1ccc(C(=O)N[C@@H](C)C[N@H+](C)CC=C(Cl)Cl)cn1 ZINC001569146684 1125127168 /nfs/dbraw/zinc/12/71/68/1125127168.db2.gz JUAJZSVHBGEJAK-NSHDSACASA-N 1 2 326.227 2.432 10 30 EEEELO C#Cc1ccc(C(=O)N[C@@H](C)C[N@@H+](C)CC=C(Cl)Cl)cn1 ZINC001569146684 1125127173 /nfs/dbraw/zinc/12/71/73/1125127173.db2.gz JUAJZSVHBGEJAK-NSHDSACASA-N 1 2 326.227 2.432 10 30 EEEELO C#Cc1ccccc1CC(=O)N[C@@H](C)C[N@@H+](C)Cc1ccn(CC)n1 ZINC001569148818 1125128356 /nfs/dbraw/zinc/12/83/56/1125128356.db2.gz PKXQLAPDTIOOHH-INIZCTEOSA-N 1 2 338.455 2.064 10 30 EEEELO C#Cc1ccccc1CC(=O)N[C@@H](C)C[N@H+](C)Cc1ccn(CC)n1 ZINC001569148818 1125128366 /nfs/dbraw/zinc/12/83/66/1125128366.db2.gz PKXQLAPDTIOOHH-INIZCTEOSA-N 1 2 338.455 2.064 10 30 EEEELO Cc1nc([C@H](C)[NH2+]CCCN(C)C(=O)CC#Cc2ccccc2)no1 ZINC001569268961 1125208402 /nfs/dbraw/zinc/20/84/02/1125208402.db2.gz NWGLDAFNKPAJBZ-HNNXBMFYSA-N 1 2 340.427 2.319 10 30 EEEELO C#CC[N@H+]1CCCC[C@@H]1C(=O)Nc1cc(C(=O)NCC)ccc1C ZINC000069375966 215392524 /nfs/dbraw/zinc/39/25/24/215392524.db2.gz MMDPZKKPVGEVAL-QGZVFWFLSA-N 1 2 327.428 2.171 10 30 EEEELO C#CC[N@@H+]1CCCC[C@@H]1C(=O)Nc1cc(C(=O)NCC)ccc1C ZINC000069375966 215392525 /nfs/dbraw/zinc/39/25/25/215392525.db2.gz MMDPZKKPVGEVAL-QGZVFWFLSA-N 1 2 327.428 2.171 10 30 EEEELO C=CCC1(C(=O)Nc2ccc3c(c2)C[N@H+](CC(N)=O)CC3)CCC1 ZINC000447670552 242301981 /nfs/dbraw/zinc/30/19/81/242301981.db2.gz MXWGALWUIWNGTC-UHFFFAOYSA-N 1 2 327.428 2.215 10 30 EEEELO C=CCC1(C(=O)Nc2ccc3c(c2)C[N@@H+](CC(N)=O)CC3)CCC1 ZINC000447670552 242301987 /nfs/dbraw/zinc/30/19/87/242301987.db2.gz MXWGALWUIWNGTC-UHFFFAOYSA-N 1 2 327.428 2.215 10 30 EEEELO Cc1cc(C(=O)N2CC[N@H+](Cc3ccc(CC#N)cc3)[C@H](C)C2)[nH]n1 ZINC000459596464 245182674 /nfs/dbraw/zinc/18/26/74/245182674.db2.gz UVXUBCNWPBROOD-OAHLLOKOSA-N 1 2 337.427 2.131 10 30 EEEELO Cc1cc(C(=O)N2CC[N@@H+](Cc3ccc(CC#N)cc3)[C@H](C)C2)[nH]n1 ZINC000459596464 245182681 /nfs/dbraw/zinc/18/26/81/245182681.db2.gz UVXUBCNWPBROOD-OAHLLOKOSA-N 1 2 337.427 2.131 10 30 EEEELO Cc1cc(C(=O)N2CC[N@H+](Cc3ccc(CC#N)cc3)[C@H](C)C2)n[nH]1 ZINC000459596464 245182688 /nfs/dbraw/zinc/18/26/88/245182688.db2.gz UVXUBCNWPBROOD-OAHLLOKOSA-N 1 2 337.427 2.131 10 30 EEEELO Cc1cc(C(=O)N2CC[N@@H+](Cc3ccc(CC#N)cc3)[C@H](C)C2)n[nH]1 ZINC000459596464 245182693 /nfs/dbraw/zinc/18/26/93/245182693.db2.gz UVXUBCNWPBROOD-OAHLLOKOSA-N 1 2 337.427 2.131 10 30 EEEELO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc(C#N)nc1)c1cccc(F)c1 ZINC000115012264 152008322 /nfs/dbraw/zinc/00/83/22/152008322.db2.gz OWBNSVPPEVJEGE-INIZCTEOSA-N 1 2 335.342 2.345 10 30 EEEELO N#Cc1ccccc1C[N@H+]1CCC[C@@H]1C(=O)NCC1CCOCC1 ZINC000374374321 154064244 /nfs/dbraw/zinc/06/42/44/154064244.db2.gz WALDLWHEBITVOQ-GOSISDBHSA-N 1 2 327.428 2.065 10 30 EEEELO N#Cc1ccccc1C[N@@H+]1CCC[C@@H]1C(=O)NCC1CCOCC1 ZINC000374374321 154064250 /nfs/dbraw/zinc/06/42/50/154064250.db2.gz WALDLWHEBITVOQ-GOSISDBHSA-N 1 2 327.428 2.065 10 30 EEEELO N#Cc1ccc2ncc(C[NH+]3CCN(c4ccccc4C#N)CC3)n2c1 ZINC000126926238 292317842 /nfs/dbraw/zinc/31/78/42/292317842.db2.gz VNNHYOROLMUXAY-UHFFFAOYSA-N 1 2 342.406 2.400 10 30 EEEELO C[N@H+](CCOc1ccccc1)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000128159036 292337599 /nfs/dbraw/zinc/33/75/99/292337599.db2.gz HLIXAKRRZOAQRB-UHFFFAOYSA-N 1 2 344.436 2.343 10 30 EEEELO C[N@@H+](CCOc1ccccc1)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000128159036 292337601 /nfs/dbraw/zinc/33/76/01/292337601.db2.gz HLIXAKRRZOAQRB-UHFFFAOYSA-N 1 2 344.436 2.343 10 30 EEEELO N#Cc1ccc2ncc(C[NH2+][C@@H](CO)c3c(F)cccc3F)n2c1 ZINC000342745662 161087674 /nfs/dbraw/zinc/08/76/74/161087674.db2.gz PBAUJLZATHSGKL-HNNXBMFYSA-N 1 2 328.322 2.307 10 30 EEEELO N#Cc1ccc(S(=O)(=O)CCn2c[nH+]c3cc(F)c(F)cc32)nc1 ZINC000345482996 161305116 /nfs/dbraw/zinc/30/51/16/161305116.db2.gz RTKYYBMHGFWMBD-UHFFFAOYSA-N 1 2 348.334 2.055 10 30 EEEELO C[C@H](c1nc(-c2cccc(Cn3cc[nH+]c3)c2)no1)n1cnc(C#N)n1 ZINC000345990635 161348314 /nfs/dbraw/zinc/34/83/14/161348314.db2.gz ZTWMEIMMJWUGGH-GFCCVEGCSA-N 1 2 346.354 2.054 10 30 EEEELO CC(C)N(C(=O)[C@H](C)[NH+]1CCN(c2cccc(C#N)n2)CC1)C(C)C ZINC000355106489 163083622 /nfs/dbraw/zinc/08/36/22/163083622.db2.gz PABGSOPNYIGGOR-INIZCTEOSA-N 1 2 343.475 2.109 10 30 EEEELO COc1ccc(C[NH+]2CCN(c3cccc(C#N)n3)CC2)c(OC)c1 ZINC000355457994 163196634 /nfs/dbraw/zinc/19/66/34/163196634.db2.gz PZILTNZCTZSUHB-UHFFFAOYSA-N 1 2 338.411 2.293 10 30 EEEELO CCN(CCC[NH+]1CCCC1)C(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000357113927 163628584 /nfs/dbraw/zinc/62/85/84/163628584.db2.gz VWLTUQCIFGYKTQ-UHFFFAOYSA-N 1 2 348.472 2.329 10 30 EEEELO N#Cc1cccc(NC(=O)CC[NH2+][C@H](c2nnc[nH]2)c2ccccc2)c1 ZINC000439439875 268279157 /nfs/dbraw/zinc/27/91/57/268279157.db2.gz NCJSGGHEMUOANP-SFHVURJKSA-N 1 2 346.394 2.384 10 30 EEEELO CC1(C)CC[C@H](C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)O1 ZINC000279700157 269301213 /nfs/dbraw/zinc/30/12/13/269301213.db2.gz JIPTUNRQHVUNSM-QGZVFWFLSA-N 1 2 327.428 2.160 10 30 EEEELO N#Cc1ccc2ncc(C[NH2+]Cc3nnc(-c4ccc(F)cc4)[nH]3)n2c1 ZINC000540793092 318078495 /nfs/dbraw/zinc/07/84/95/318078495.db2.gz NSJPWWXSRKXYSO-UHFFFAOYSA-N 1 2 347.357 2.420 10 30 EEEELO N#Cc1cnc(N2CC[NH+](Cc3ccsc3)CC2)c([N+](=O)[O-])c1 ZINC000562529807 318892487 /nfs/dbraw/zinc/89/24/87/318892487.db2.gz SBCMGOFLBLKIEY-UHFFFAOYSA-N 1 2 329.385 2.245 10 30 EEEELO CCc1nnc(CN2CC[NH+]([C@H](C)C(=O)NC3CCCC3)CC2)o1 ZINC000329038511 465211442 /nfs/dbraw/zinc/21/14/42/465211442.db2.gz ZOMDZWCMOOAUQU-CYBMUJFWSA-N 1 2 335.452 2.037 10 30 EEEELO C=CCN1CC[C@@H]([N@@H+](CC(N)=O)[C@H](C)c2ccc(CCC)cc2)C1=O ZINC000337147983 465216113 /nfs/dbraw/zinc/21/61/13/465216113.db2.gz GQNJAIVPBDDDPM-CRAIPNDOSA-N 1 2 343.471 2.274 10 30 EEEELO C=CCN1CC[C@@H]([N@H+](CC(N)=O)[C@H](C)c2ccc(CCC)cc2)C1=O ZINC000337147983 465216115 /nfs/dbraw/zinc/21/61/15/465216115.db2.gz GQNJAIVPBDDDPM-CRAIPNDOSA-N 1 2 343.471 2.274 10 30 EEEELO COC(=O)COc1ccc(C[N@H+](C[C@H](C)C#N)C2CC2)cc1[N+](=O)[O-] ZINC000355735415 465269164 /nfs/dbraw/zinc/26/91/64/465269164.db2.gz OLUSJLRKLIMKOP-GFCCVEGCSA-N 1 2 347.371 2.271 10 30 EEEELO COC(=O)COc1ccc(C[N@@H+](C[C@H](C)C#N)C2CC2)cc1[N+](=O)[O-] ZINC000355735415 465269167 /nfs/dbraw/zinc/26/91/67/465269167.db2.gz OLUSJLRKLIMKOP-GFCCVEGCSA-N 1 2 347.371 2.271 10 30 EEEELO N#CC[C@@H]1CC[C@H](NC(=O)N2CCC[N@H+](Cc3cscn3)CC2)C1 ZINC000298482492 465407092 /nfs/dbraw/zinc/40/70/92/465407092.db2.gz PXLQJKFYULUNKG-GJZGRUSLSA-N 1 2 347.488 2.443 10 30 EEEELO N#CC[C@@H]1CC[C@H](NC(=O)N2CCC[N@@H+](Cc3cscn3)CC2)C1 ZINC000298482492 465407098 /nfs/dbraw/zinc/40/70/98/465407098.db2.gz PXLQJKFYULUNKG-GJZGRUSLSA-N 1 2 347.488 2.443 10 30 EEEELO Cc1nnc([C@@H]2C[N@H+](Cc3ccccc3C(C)(C)C#N)CCO2)[nH]1 ZINC000135259144 463134288 /nfs/dbraw/zinc/13/42/88/463134288.db2.gz REXVAXXOQPUZMY-INIZCTEOSA-N 1 2 325.416 2.488 10 30 EEEELO Cc1nnc([C@@H]2C[N@@H+](Cc3ccccc3C(C)(C)C#N)CCO2)[nH]1 ZINC000135259144 463134295 /nfs/dbraw/zinc/13/42/95/463134295.db2.gz REXVAXXOQPUZMY-INIZCTEOSA-N 1 2 325.416 2.488 10 30 EEEELO Cc1nc([C@@H]2C[N@H+](Cc3ccccc3C(C)(C)C#N)CCO2)n[nH]1 ZINC000135259144 463134299 /nfs/dbraw/zinc/13/42/99/463134299.db2.gz REXVAXXOQPUZMY-INIZCTEOSA-N 1 2 325.416 2.488 10 30 EEEELO Cc1nc([C@@H]2C[N@@H+](Cc3ccccc3C(C)(C)C#N)CCO2)n[nH]1 ZINC000135259144 463134304 /nfs/dbraw/zinc/13/43/04/463134304.db2.gz REXVAXXOQPUZMY-INIZCTEOSA-N 1 2 325.416 2.488 10 30 EEEELO CCOc1ccnc(N2CC[NH+](Cc3ccc(C#N)s3)CC2)n1 ZINC000121514703 463148950 /nfs/dbraw/zinc/14/89/50/463148950.db2.gz LQLVYFGICXGIBC-UHFFFAOYSA-N 1 2 329.429 2.131 10 30 EEEELO CCc1noc([C@@H](C)N2CC[NH+](Cc3cccc(C#N)c3)CC2)n1 ZINC000069421322 463244852 /nfs/dbraw/zinc/24/48/52/463244852.db2.gz FCJHQHHFJKKWPE-CQSZACIVSA-N 1 2 325.416 2.382 10 30 EEEELO CN(C)c1[nH+]cccc1CNC(=O)NCc1ccc(C#N)cc1F ZINC000069772696 463322496 /nfs/dbraw/zinc/32/24/96/463322496.db2.gz MMKOLOPYOAJDKH-UHFFFAOYSA-N 1 2 327.363 2.158 10 30 EEEELO Cc1cccc(N2CCN(c3[nH+]cnc4c3cnn4CCC#N)CC2)c1 ZINC000097199985 463344075 /nfs/dbraw/zinc/34/40/75/463344075.db2.gz RDUXYANXKFSSMR-UHFFFAOYSA-N 1 2 347.426 2.375 10 30 EEEELO CC(C)(C#N)C(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000042105516 463541127 /nfs/dbraw/zinc/54/11/27/463541127.db2.gz HEXIRDYELXVSQQ-UHFFFAOYSA-N 1 2 335.835 2.413 10 30 EEEELO Cc1csc([C@H]2C[N@H+](C[C@H](O)c3ccc(C#N)cc3)CCO2)n1 ZINC000127354814 463698168 /nfs/dbraw/zinc/69/81/68/463698168.db2.gz DRSRCGHOIAMEMC-JKSUJKDBSA-N 1 2 329.425 2.430 10 30 EEEELO Cc1csc([C@H]2C[N@@H+](C[C@H](O)c3ccc(C#N)cc3)CCO2)n1 ZINC000127354814 463698171 /nfs/dbraw/zinc/69/81/71/463698171.db2.gz DRSRCGHOIAMEMC-JKSUJKDBSA-N 1 2 329.425 2.430 10 30 EEEELO C#CCC(CC#C)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000278284475 463961653 /nfs/dbraw/zinc/96/16/53/463961653.db2.gz GLJBKVGOJXKJFJ-ROUUACIJSA-N 1 2 330.378 2.489 10 30 EEEELO C#CCC(CC#C)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000278284475 463961661 /nfs/dbraw/zinc/96/16/61/463961661.db2.gz GLJBKVGOJXKJFJ-ROUUACIJSA-N 1 2 330.378 2.489 10 30 EEEELO C=C(C)Cn1c(C2CC2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000283703696 463978353 /nfs/dbraw/zinc/97/83/53/463978353.db2.gz VOHUCAWHVVYYGJ-UHFFFAOYSA-N 1 2 339.447 2.157 10 30 EEEELO CS(=O)(=O)Nc1ccc(NCc2c[nH+]c3ccc(C#N)cn23)cc1 ZINC000178816703 463981933 /nfs/dbraw/zinc/98/19/33/463981933.db2.gz AGALCYBUGFWSPE-UHFFFAOYSA-N 1 2 341.396 2.190 10 30 EEEELO C=CCCCNC(=O)C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000288516143 464048288 /nfs/dbraw/zinc/04/82/88/464048288.db2.gz FYPUJXFURFRKIO-HNNXBMFYSA-N 1 2 344.459 2.008 10 30 EEEELO Cc1nsc(N2CC[NH+](Cc3cnn4ccccc34)CC2)c1C#N ZINC000291441513 464154480 /nfs/dbraw/zinc/15/44/80/464154480.db2.gz BXXUELKHSCELHN-UHFFFAOYSA-N 1 2 338.440 2.293 10 30 EEEELO Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@@H+]([C@H](C)CC#N)C2)cc1 ZINC000230153175 464203191 /nfs/dbraw/zinc/20/31/91/464203191.db2.gz QKIYWYYYJFGERC-CVEARBPZSA-N 1 2 335.473 2.288 10 30 EEEELO Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@H+]([C@H](C)CC#N)C2)cc1 ZINC000230153175 464203196 /nfs/dbraw/zinc/20/31/96/464203196.db2.gz QKIYWYYYJFGERC-CVEARBPZSA-N 1 2 335.473 2.288 10 30 EEEELO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCN(CC(F)F)[C@H](CC)C1 ZINC000245721721 464509369 /nfs/dbraw/zinc/50/93/69/464509369.db2.gz HOHTXMRRRFKERJ-HUUCEWRRSA-N 1 2 331.451 2.461 10 30 EEEELO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCN(CC(F)F)[C@H](CC)C1 ZINC000245721721 464509377 /nfs/dbraw/zinc/50/93/77/464509377.db2.gz HOHTXMRRRFKERJ-HUUCEWRRSA-N 1 2 331.451 2.461 10 30 EEEELO CCNC(=O)c1cccc(NC(=O)C[NH+]2CCC(C)(C#N)CC2)c1 ZINC000272593957 464672145 /nfs/dbraw/zinc/67/21/45/464672145.db2.gz PVHMWTAFXCUVGN-UHFFFAOYSA-N 1 2 328.416 2.000 10 30 EEEELO CC[C@H]1CN(c2ccccc2)CC[N@@H+]1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000248390824 464746604 /nfs/dbraw/zinc/74/66/04/464746604.db2.gz ISNMUIXCODYJJK-FXAWDEMLSA-N 1 2 340.471 2.396 10 30 EEEELO CC[C@H]1CN(c2ccccc2)CC[N@H+]1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000248390824 464746610 /nfs/dbraw/zinc/74/66/10/464746610.db2.gz ISNMUIXCODYJJK-FXAWDEMLSA-N 1 2 340.471 2.396 10 30 EEEELO CC[C@@H](C(=O)N1Cc2cccc(C#N)c2C1)[N@@H+]1CCO[C@H](CC)C1 ZINC000593888396 468421941 /nfs/dbraw/zinc/42/19/41/468421941.db2.gz LHBKFVMNVHCWER-AEFFLSMTSA-N 1 2 327.428 2.290 10 30 EEEELO CC[C@@H](C(=O)N1Cc2cccc(C#N)c2C1)[N@H+]1CCO[C@H](CC)C1 ZINC000593888396 468421945 /nfs/dbraw/zinc/42/19/45/468421945.db2.gz LHBKFVMNVHCWER-AEFFLSMTSA-N 1 2 327.428 2.290 10 30 EEEELO COc1ccc(C[N@H+]2CC(=O)N(C)[C@@H](C)C2)cc1OCCCC#N ZINC000282412244 464809310 /nfs/dbraw/zinc/80/93/10/464809310.db2.gz DFXBWDIVSUPVIF-AWEZNQCLSA-N 1 2 331.416 2.040 10 30 EEEELO COc1ccc(C[N@@H+]2CC(=O)N(C)[C@@H](C)C2)cc1OCCCC#N ZINC000282412244 464809315 /nfs/dbraw/zinc/80/93/15/464809315.db2.gz DFXBWDIVSUPVIF-AWEZNQCLSA-N 1 2 331.416 2.040 10 30 EEEELO Cn1c[nH+]cc1[C@H]1C[C@H](NC(=O)/C=C/c2cccc(C#N)c2)CCO1 ZINC000276289718 464878704 /nfs/dbraw/zinc/87/87/04/464878704.db2.gz NKOSQUIDBAFQNR-WXFDERKXSA-N 1 2 336.395 2.341 10 30 EEEELO C[C@H]1C(=O)NCCCN1C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000329937221 465480787 /nfs/dbraw/zinc/48/07/87/465480787.db2.gz LLDPSJSVYQDEQJ-JTQLQIEISA-N 1 2 335.795 2.452 10 30 EEEELO C=CCn1c(CCCC)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000337834461 465614858 /nfs/dbraw/zinc/61/48/58/465614858.db2.gz BMTISGVZKLOHCW-UHFFFAOYSA-N 1 2 341.463 2.232 10 30 EEEELO N#Cc1ccsc1NC(=O)CC[N@H+]1CCOC[C@H]1CC(F)F ZINC000353284385 465768927 /nfs/dbraw/zinc/76/89/27/465768927.db2.gz DQPSYIICVXHYIK-LLVKDONJSA-N 1 2 329.372 2.304 10 30 EEEELO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCOC[C@H]1CC(F)F ZINC000353284385 465768934 /nfs/dbraw/zinc/76/89/34/465768934.db2.gz DQPSYIICVXHYIK-LLVKDONJSA-N 1 2 329.372 2.304 10 30 EEEELO CC[C@@H](C(=O)OC(C)(C)C)[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000361756450 466263110 /nfs/dbraw/zinc/26/31/10/466263110.db2.gz VASYUFWLLDREKK-HNNXBMFYSA-N 1 2 330.432 2.196 10 30 EEEELO C[NH+](C)C[C@@](C)(C#N)NC(=O)Cc1sccc1Br ZINC000581946891 468501129 /nfs/dbraw/zinc/50/11/29/468501129.db2.gz GMLBGNWQPKKYNY-GFCCVEGCSA-N 1 2 330.251 2.013 10 30 EEEELO C=CCOc1ccc(CNC(=O)C2([NH+]3CCOCC3)CCC2)cc1 ZINC000375978818 466884502 /nfs/dbraw/zinc/88/45/02/466884502.db2.gz DTDNATIEWXUMEF-UHFFFAOYSA-N 1 2 330.428 2.123 10 30 EEEELO Cn1cc(C#N)cc1C(=O)N1CCC[C@H]1c1[nH+]c2c(n1C)CCCC2 ZINC000407957229 467484867 /nfs/dbraw/zinc/48/48/67/467484867.db2.gz NTXDDSNXVUHBRU-INIZCTEOSA-N 1 2 337.427 2.486 10 30 EEEELO C=C(C)CN(CC)C(=O)C[NH+]1CCN(c2ncc(CC)s2)CC1 ZINC000441331477 467571905 /nfs/dbraw/zinc/57/19/05/467571905.db2.gz 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CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000576143512 468161085 /nfs/dbraw/zinc/16/10/85/468161085.db2.gz WXLCSVUFTIIPJX-KBXCAEBGSA-N 1 2 343.427 2.303 10 30 EEEELO C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000567733220 468198078 /nfs/dbraw/zinc/19/80/78/468198078.db2.gz KAQOLRHTFQUWGA-HOTGVXAUSA-N 1 2 335.473 2.166 10 30 EEEELO N#Cc1cccc(-c2c[nH]c(CNC(=O)[C@H]3CCc4[nH+]c[nH]c4C3)n2)c1 ZINC000597400783 468544782 /nfs/dbraw/zinc/54/47/82/468544782.db2.gz BZIXGGBYLYTXGZ-AWEZNQCLSA-N 1 2 346.394 2.093 10 30 EEEELO N#Cc1cccc(-c2c[nH]c(CNC(=O)[C@H]3CCc4[nH]c[nH+]c4C3)n2)c1 ZINC000597400783 468544784 /nfs/dbraw/zinc/54/47/84/468544784.db2.gz BZIXGGBYLYTXGZ-AWEZNQCLSA-N 1 2 346.394 2.093 10 30 EEEELO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000570335360 468624109 /nfs/dbraw/zinc/62/41/09/468624109.db2.gz ARDAVNCQMJVPJC-BJJXKVORSA-N 1 2 329.356 2.240 10 30 EEEELO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000570335360 468624114 /nfs/dbraw/zinc/62/41/14/468624114.db2.gz ARDAVNCQMJVPJC-BJJXKVORSA-N 1 2 329.356 2.240 10 30 EEEELO CC(C)CC[N@H+](CCC#N)[C@@H]1CCN(CC(=O)OC(C)(C)C)C1=O ZINC000595347263 468819530 /nfs/dbraw/zinc/81/95/30/468819530.db2.gz PHHJZHXLULIXHU-OAHLLOKOSA-N 1 2 337.464 2.191 10 30 EEEELO CC(C)CC[N@@H+](CCC#N)[C@@H]1CCN(CC(=O)OC(C)(C)C)C1=O ZINC000595347263 468819534 /nfs/dbraw/zinc/81/95/34/468819534.db2.gz PHHJZHXLULIXHU-OAHLLOKOSA-N 1 2 337.464 2.191 10 30 EEEELO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CCOC2(CCOCC2)CC1 ZINC000584336603 468847384 /nfs/dbraw/zinc/84/73/84/468847384.db2.gz BBNCKLICZZQYDL-UHFFFAOYSA-N 1 2 331.372 2.238 10 30 EEEELO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CCOC2(CCOCC2)CC1 ZINC000584336603 468847386 /nfs/dbraw/zinc/84/73/86/468847386.db2.gz BBNCKLICZZQYDL-UHFFFAOYSA-N 1 2 331.372 2.238 10 30 EEEELO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CC[C@@](C)(C#N)C2)c(OC)c1 ZINC000595835260 469033490 /nfs/dbraw/zinc/03/34/90/469033490.db2.gz PWQKYWJSZSREHB-APWZRJJASA-N 1 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SDZSCKNVDVYGKF-KGLIPLIRSA-N 1 2 332.448 2.197 10 30 EEEELO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)CC[N@H+](C)Cc1ccccc1C#N ZINC001272131850 1187942824 /nfs/dbraw/zinc/94/28/24/1187942824.db2.gz OPGFEPDWEOOLGN-OALUTQOASA-N 1 2 341.455 2.430 10 30 EEEELO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)CC[N@@H+](C)Cc1ccccc1C#N ZINC001272131850 1187942828 /nfs/dbraw/zinc/94/28/28/1187942828.db2.gz OPGFEPDWEOOLGN-OALUTQOASA-N 1 2 341.455 2.430 10 30 EEEELO C[C@H]([NH2+]C/C=C/CNC(=O)C#CC(C)(C)C)c1nc(C2CC2)no1 ZINC001483007598 1187989476 /nfs/dbraw/zinc/98/94/76/1187989476.db2.gz MJNDIQKJAHLPHT-GFUIURDCSA-N 1 2 330.432 2.320 10 30 EEEELO C[C@@H]([NH2+]C/C=C\CNC(=O)C#CC(C)(C)C)c1nc(C2CC2)no1 ZINC001483007596 1187989877 /nfs/dbraw/zinc/98/98/77/1187989877.db2.gz MJNDIQKJAHLPHT-CFHLNLSMSA-N 1 2 330.432 2.320 10 30 EEEELO C=CC[C@@H]([NH2+]CC1(c2ccc3c(c2)OCO3)CCOCC1)C(=O)OC ZINC000905755243 1189910921 /nfs/dbraw/zinc/91/09/21/1189910921.db2.gz JNVJQLWVNMLRJQ-OAHLLOKOSA-N 1 2 347.411 2.171 10 30 EEEELO C#CCCCC(=O)N1C[C@@H]([NH2+]Cc2nc(C(C)(C)C)no2)C[C@@H]1C ZINC001486106682 1193684111 /nfs/dbraw/zinc/68/41/11/1193684111.db2.gz ADJFUSKKQCTEKM-KBPBESRZSA-N 1 2 332.448 2.250 10 30 EEEELO COCC(=O)NC[C@]1(C)CCC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001484147261 1191235309 /nfs/dbraw/zinc/23/53/09/1191235309.db2.gz SANFGACIXNLFMO-SFHVURJKSA-N 1 2 333.407 2.062 10 30 EEEELO COCC(=O)NC[C@]1(C)CCC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001484147261 1191235311 /nfs/dbraw/zinc/23/53/11/1191235311.db2.gz SANFGACIXNLFMO-SFHVURJKSA-N 1 2 333.407 2.062 10 30 EEEELO CC(C)C#CC(=O)NC[C@@H]1COCC[N@@H+]1CC[C@@H]1CCCC1(F)F ZINC001484593602 1191435391 /nfs/dbraw/zinc/43/53/91/1191435391.db2.gz YJFGXCIWUJKQQR-JKSUJKDBSA-N 1 2 342.430 2.288 10 30 EEEELO CC(C)C#CC(=O)NC[C@@H]1COCC[N@H+]1CC[C@@H]1CCCC1(F)F ZINC001484593602 1191435393 /nfs/dbraw/zinc/43/53/93/1191435393.db2.gz YJFGXCIWUJKQQR-JKSUJKDBSA-N 1 2 342.430 2.288 10 30 EEEELO C=C(C)CCC(=O)N[C@H]1CCC[N@@H+](Cc2nnnn2CCCC)CC1 ZINC001484715168 1191479851 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345.418 2.155 10 30 EEEELO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@H](C)Cc2cnn(C)c2)C1 ZINC001443882302 1098408962 /nfs/dbraw/zinc/40/89/62/1098408962.db2.gz NEEMOKNYMBCLDA-CZUORRHYSA-N 1 2 338.883 2.274 10 30 EEEELO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H](C)Cc2cnn(C)c2)C1 ZINC001443882302 1098408963 /nfs/dbraw/zinc/40/89/63/1098408963.db2.gz NEEMOKNYMBCLDA-CZUORRHYSA-N 1 2 338.883 2.274 10 30 EEEELO C#CCCCC(=O)N[C@@H]1CCC[N@@H+](Cc2cn(C)nc2C(F)F)C1 ZINC001479902346 1099284867 /nfs/dbraw/zinc/28/48/67/1099284867.db2.gz IJRIHBYISCMVSC-CQSZACIVSA-N 1 2 338.402 2.242 10 30 EEEELO C#CCCCC(=O)N[C@@H]1CCC[N@H+](Cc2cn(C)nc2C(F)F)C1 ZINC001479902346 1099284875 /nfs/dbraw/zinc/28/48/75/1099284875.db2.gz IJRIHBYISCMVSC-CQSZACIVSA-N 1 2 338.402 2.242 10 30 EEEELO C#CCCCC(=O)N[C@@H]1CC12CC[NH+](Cc1nnc(C(C)C)[nH]1)CC2 ZINC001479981369 1099436071 /nfs/dbraw/zinc/43/60/71/1099436071.db2.gz ULAXOAZDDHDZBL-OAHLLOKOSA-N 1 2 343.475 2.202 10 30 EEEELO 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334.847 2.307 10 30 EEEELO COCC(=O)N[C@@H]1CC[N@@H+](CC#Cc2ccccc2Cl)[C@@H](C)C1 ZINC001502900027 1113847640 /nfs/dbraw/zinc/84/76/40/1113847640.db2.gz NJQSANPLFAWYJX-GOEBONIOSA-N 1 2 334.847 2.307 10 30 EEEELO COCC#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@H]1CC1(C)C ZINC001503678899 1113898021 /nfs/dbraw/zinc/89/80/21/1113898021.db2.gz UQBVUWSWFJEOCR-RTBURBONSA-N 1 2 340.467 2.398 10 30 EEEELO COCC#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@H]1CC1(C)C ZINC001503678899 1113898022 /nfs/dbraw/zinc/89/80/22/1113898022.db2.gz UQBVUWSWFJEOCR-RTBURBONSA-N 1 2 340.467 2.398 10 30 EEEELO C=CCCC(=O)N1CCC2(CC1)C[N@H+](Cc1cccnc1)CCO2 ZINC001503724089 1113904079 /nfs/dbraw/zinc/90/40/79/1113904079.db2.gz YRRQRKQNAMOMSP-UHFFFAOYSA-N 1 2 329.444 2.241 10 30 EEEELO C=CCCC(=O)N1CCC2(CC1)C[N@@H+](Cc1cccnc1)CCO2 ZINC001503724089 1113904081 /nfs/dbraw/zinc/90/40/81/1113904081.db2.gz YRRQRKQNAMOMSP-UHFFFAOYSA-N 1 2 329.444 2.241 10 30 EEEELO C=C[C@](C)(CC)C(=O)N1CCC[C@H]1C[N@H+](C)CC(=O)Nc1ccon1 ZINC001505445009 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C[C@@H](NC(=O)c1ccc(C2(C#N)CC2)cc1)[C@H](C)[NH+]1CCOCC1 ZINC000180276493 464277976 /nfs/dbraw/zinc/27/79/76/464277976.db2.gz VYUPUUKJKAISOC-CABCVRRESA-N 1 2 327.428 2.081 10 30 EEEELO CCNC(=O)COc1cccc(NCc2c[nH+]c3ccc(C#N)cn23)c1 ZINC000174289730 464389032 /nfs/dbraw/zinc/38/90/32/464389032.db2.gz PDRGJHSVEZDRMW-UHFFFAOYSA-N 1 2 349.394 2.333 10 30 EEEELO Cc1oc(NC(=O)C[N@@H+]2CC[C@@H](C(C)(C)C)[C@H](O)C2)c(C#N)c1C ZINC000272293640 464552223 /nfs/dbraw/zinc/55/22/23/464552223.db2.gz FRTSTZSTTXQKEN-HUUCEWRRSA-N 1 2 333.432 2.436 10 30 EEEELO Cc1oc(NC(=O)C[N@H+]2CC[C@@H](C(C)(C)C)[C@H](O)C2)c(C#N)c1C ZINC000272293640 464552227 /nfs/dbraw/zinc/55/22/27/464552227.db2.gz FRTSTZSTTXQKEN-HUUCEWRRSA-N 1 2 333.432 2.436 10 30 EEEELO CCOc1ccc(OCCNC(=O)C[NH+]2CCC(C)(C#N)CC2)cc1 ZINC000272515649 464640604 /nfs/dbraw/zinc/64/06/04/464640604.db2.gz GUGHSLOLWTVISY-UHFFFAOYSA-N 1 2 345.443 2.206 10 30 EEEELO CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000356512985 465427112 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C=C(C)CS(=O)(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000373820707 466931419 /nfs/dbraw/zinc/93/14/19/466931419.db2.gz YGLBOCSOKHEPHI-ZDUSSCGKSA-N 1 2 344.427 2.425 10 30 EEEELO C=C(C)CS(=O)(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000373820707 466931422 /nfs/dbraw/zinc/93/14/22/466931422.db2.gz YGLBOCSOKHEPHI-ZDUSSCGKSA-N 1 2 344.427 2.425 10 30 EEEELO CO[C@@H]1CC[N@H+](CCS(=O)(=O)c2cccc(C#N)c2)CC1(C)C ZINC000451565177 467260598 /nfs/dbraw/zinc/26/05/98/467260598.db2.gz MVFHJPRTKLUCAJ-MRXNPFEDSA-N 1 2 336.457 2.079 10 30 EEEELO CO[C@@H]1CC[N@@H+](CCS(=O)(=O)c2cccc(C#N)c2)CC1(C)C ZINC000451565177 467260602 /nfs/dbraw/zinc/26/06/02/467260602.db2.gz MVFHJPRTKLUCAJ-MRXNPFEDSA-N 1 2 336.457 2.079 10 30 EEEELO Cn1c2cc(F)ccc2[nH+]c1N1CCN(c2cccc(C#N)n2)CC1 ZINC000431422836 467515925 /nfs/dbraw/zinc/51/59/25/467515925.db2.gz RHUCFRZHGGOLKJ-UHFFFAOYSA-N 1 2 336.374 2.306 10 30 EEEELO CCn1ncc(C[NH2+]Cc2ccc(OC)c(OCCCC#N)c2)n1 ZINC000527737920 467664462 /nfs/dbraw/zinc/66/44/62/467664462.db2.gz 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EEEELO CN(C(=O)C[N@@H+]1CCc2c(CC#N)cccc2C1)c1nccs1 ZINC000599677708 469335467 /nfs/dbraw/zinc/33/54/67/469335467.db2.gz CRYJRAYZTSZGJP-UHFFFAOYSA-N 1 2 326.425 2.230 10 30 EEEELO CN(C(=O)C[N@H+]1CCc2c(CC#N)cccc2C1)c1nccs1 ZINC000599677708 469335471 /nfs/dbraw/zinc/33/54/71/469335471.db2.gz CRYJRAYZTSZGJP-UHFFFAOYSA-N 1 2 326.425 2.230 10 30 EEEELO COc1cc(NC(=O)N2CCn3cc(C)[nH+]c3C2)c(F)cc1C#N ZINC000599814556 469380819 /nfs/dbraw/zinc/38/08/19/469380819.db2.gz FOODLOFNGOFRBX-UHFFFAOYSA-N 1 2 329.335 2.259 10 30 EEEELO O=C1c2ccccc2C(=O)N1CC#CC[NH+]1CC2(C1)CC(F)(F)C2 ZINC000625272927 470109647 /nfs/dbraw/zinc/10/96/47/470109647.db2.gz ANIXXADMDBJVGE-UHFFFAOYSA-N 1 2 330.334 2.017 10 30 EEEELO C=CCN1CC[C@@H]([NH+]2CCN(c3cc(OC)ccc3Cl)CC2)C1=O ZINC000649649891 470653113 /nfs/dbraw/zinc/65/31/13/470653113.db2.gz ACZKPYOQSSORPG-MRXNPFEDSA-N 1 2 349.862 2.258 10 30 EEEELO C=CCOCCCNC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000661794465 471886845 /nfs/dbraw/zinc/88/68/45/471886845.db2.gz 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EEEELO Cn1c[nH+]cc1CC(=O)N[C@@H](C#N)c1ccc(OC(F)(F)F)cc1 ZINC001545142237 1124180745 /nfs/dbraw/zinc/18/07/45/1124180745.db2.gz DXXBUSBTZHWCPS-ZDUSSCGKSA-N 1 2 338.289 2.242 10 30 EEEELO O=C(NC/C=C\C[NH2+]Cc1c(F)c(F)c(F)c(F)c1F)C(F)F ZINC001568805415 1124821483 /nfs/dbraw/zinc/82/14/83/1124821483.db2.gz PRBWRYMVEPJGJW-UPHRSURJSA-N 1 2 344.230 2.409 10 30 EEEELO C#CC[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc(NC(=O)NCC=C)cc1 ZINC000056352840 214372891 /nfs/dbraw/zinc/37/28/91/214372891.db2.gz AYJXMIQQZYKRGT-QGZVFWFLSA-N 1 2 340.427 2.420 10 30 EEEELO C#CC[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc(NC(=O)NCC=C)cc1 ZINC000056352840 214372895 /nfs/dbraw/zinc/37/28/95/214372895.db2.gz AYJXMIQQZYKRGT-QGZVFWFLSA-N 1 2 340.427 2.420 10 30 EEEELO N#Cc1ccc(C[NH+]2CCN(c3ncc(C#N)cc3[N+](=O)[O-])CC2)cc1 ZINC000296208806 283140654 /nfs/dbraw/zinc/14/06/54/283140654.db2.gz CQFHMDUOCQCEOR-UHFFFAOYSA-N 1 2 348.366 2.055 10 30 EEEELO O=C(C[NH+]1CCN(CC#Cc2ccccc2)CC1)N1CCCCCC1 ZINC000191897453 237276296 /nfs/dbraw/zinc/27/62/96/237276296.db2.gz LRXUEZNYGXOXBQ-UHFFFAOYSA-N 1 2 339.483 2.058 10 30 EEEELO COc1ccc([C@H](C)[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)c(OC)c1 ZINC000115606038 292233975 /nfs/dbraw/zinc/23/39/75/292233975.db2.gz LUUAFWWSAFPAGO-SGTLLEGYSA-N 1 2 339.395 2.453 10 30 EEEELO CC[C@H]1C[N@H+](Cc2cnc3ccc(C#N)cn23)CCN1CC(F)F ZINC000093767086 159239495 /nfs/dbraw/zinc/23/94/95/159239495.db2.gz PKMZRPLWMCUEOH-AWEZNQCLSA-N 1 2 333.386 2.367 10 30 EEEELO CC[C@H]1C[N@@H+](Cc2cnc3ccc(C#N)cn23)CCN1CC(F)F ZINC000093767086 159239496 /nfs/dbraw/zinc/23/94/96/159239496.db2.gz PKMZRPLWMCUEOH-AWEZNQCLSA-N 1 2 333.386 2.367 10 30 EEEELO Cc1ccn2cc(CNS(=O)(=O)c3ccc(F)c(C#N)c3)[nH+]c2c1 ZINC000343651150 161154877 /nfs/dbraw/zinc/15/48/77/161154877.db2.gz BIBDMZSTNPKEMQ-UHFFFAOYSA-N 1 2 344.371 2.132 10 30 EEEELO COc1ccc(C#N)cc1C[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000355101347 163081428 /nfs/dbraw/zinc/08/14/28/163081428.db2.gz PJCLEWOLHCSJSO-UHFFFAOYSA-N 1 2 333.395 2.156 10 30 EEEELO N#Cc1cccc(N2CC[NH+](Cc3c(F)cccc3[N+](=O)[O-])CC2)n1 ZINC000355105319 163082923 /nfs/dbraw/zinc/08/29/23/163082923.db2.gz NVFZUNYLLHIZAX-UHFFFAOYSA-N 1 2 341.346 2.323 10 30 EEEELO N#Cc1cc(NC[C@@H]2C[NH+]3CCN2CC3)nc2ccc(Cl)cc12 ZINC000301766839 268013049 /nfs/dbraw/zinc/01/30/49/268013049.db2.gz IFORCKZEKYKVEG-CQSZACIVSA-N 1 2 327.819 2.172 10 30 EEEELO N#Cc1cc(NC[C@@H]2CN3CC[NH+]2CC3)nc2ccc(Cl)cc12 ZINC000301766839 268013052 /nfs/dbraw/zinc/01/30/52/268013052.db2.gz IFORCKZEKYKVEG-CQSZACIVSA-N 1 2 327.819 2.172 10 30 EEEELO N#Cc1ccc(N2CCCC[C@@H]2C[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000301290863 268109377 /nfs/dbraw/zinc/10/93/77/268109377.db2.gz WNPWRXLQCUAAST-OAHLLOKOSA-N 1 2 330.388 2.158 10 30 EEEELO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000370236760 277342125 /nfs/dbraw/zinc/34/21/25/277342125.db2.gz ROKDMHYBRNBHTD-SJLPKXTDSA-N 1 2 336.395 2.442 10 30 EEEELO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000370236760 277342126 /nfs/dbraw/zinc/34/21/26/277342126.db2.gz ROKDMHYBRNBHTD-SJLPKXTDSA-N 1 2 336.395 2.442 10 30 EEEELO N#Cc1csc(C[N@@H+](CCC(N)=O)[C@@H]2CCOc3ccccc32)n1 ZINC000419274159 303214857 /nfs/dbraw/zinc/21/48/57/303214857.db2.gz CEHDXVSTLGVHLC-CQSZACIVSA-N 1 2 342.424 2.216 10 30 EEEELO N#Cc1csc(C[N@H+](CCC(N)=O)[C@@H]2CCOc3ccccc32)n1 ZINC000419274159 303214860 /nfs/dbraw/zinc/21/48/60/303214860.db2.gz CEHDXVSTLGVHLC-CQSZACIVSA-N 1 2 342.424 2.216 10 30 EEEELO Cc1cn2c([nH+]1)C[C@@H](C(=O)Nc1n[nH]c3cc(C#N)c(C)cc31)CC2 ZINC000600082405 449179130 /nfs/dbraw/zinc/17/91/30/449179130.db2.gz BHUVRISPSGGTBV-LBPRGKRZSA-N 1 2 334.383 2.449 10 30 EEEELO C=C(C)COCCNC(=O)NCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC000623768822 450580059 /nfs/dbraw/zinc/58/00/59/450580059.db2.gz ALQFVWBIWVBVFC-UHFFFAOYSA-N 1 2 335.452 2.212 10 30 EEEELO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1ccc(Br)cc1C#N ZINC000336838961 465050478 /nfs/dbraw/zinc/05/04/78/465050478.db2.gz OAUBBZLFNBXLCG-JQWIXIFHSA-N 1 2 336.233 2.407 10 30 EEEELO C[C@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1ccc(Br)cc1C#N ZINC000336838961 465050479 /nfs/dbraw/zinc/05/04/79/465050479.db2.gz OAUBBZLFNBXLCG-JQWIXIFHSA-N 1 2 336.233 2.407 10 30 EEEELO CCn1cnnc1[C@H]1C[N@H+](CCCOc2cccc(C#N)c2)CCO1 ZINC000328652696 465089794 /nfs/dbraw/zinc/08/97/94/465089794.db2.gz WPSXLDPLTBGEMB-QGZVFWFLSA-N 1 2 341.415 2.012 10 30 EEEELO CCn1cnnc1[C@H]1C[N@@H+](CCCOc2cccc(C#N)c2)CCO1 ZINC000328652696 465089800 /nfs/dbraw/zinc/08/98/00/465089800.db2.gz WPSXLDPLTBGEMB-QGZVFWFLSA-N 1 2 341.415 2.012 10 30 EEEELO N#Cc1cccc(-c2cc(C(=O)N[C@H]3CCc4[nH+]c[nH]c4C3)on2)c1 ZINC000358424824 465114669 /nfs/dbraw/zinc/11/46/69/465114669.db2.gz QHTGOFWLHNOWKT-ZDUSSCGKSA-N 1 2 333.351 2.224 10 30 EEEELO N#Cc1cccc(-c2cc(C(=O)N[C@H]3CCc4[nH]c[nH+]c4C3)on2)c1 ZINC000358424824 465114672 /nfs/dbraw/zinc/11/46/72/465114672.db2.gz QHTGOFWLHNOWKT-ZDUSSCGKSA-N 1 2 333.351 2.224 10 30 EEEELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)Nc3nc(C(C)(C)C)cs3)C[C@@H]21 ZINC000328818953 465138753 /nfs/dbraw/zinc/13/87/53/465138753.db2.gz DRWGDMQAFPLICR-NWDGAFQWSA-N 1 2 338.477 2.391 10 30 EEEELO C[N@H+]1CCO[C@@H]2CCN(C(=O)Nc3nc(C(C)(C)C)cs3)C[C@@H]21 ZINC000328818953 465138759 /nfs/dbraw/zinc/13/87/59/465138759.db2.gz DRWGDMQAFPLICR-NWDGAFQWSA-N 1 2 338.477 2.391 10 30 EEEELO CC(=O)N[C@H](CC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1)c1ccccc1 ZINC000328906264 465163941 /nfs/dbraw/zinc/16/39/41/465163941.db2.gz KQCDUHJGTONMEO-KURKYZTESA-N 1 2 345.443 2.026 10 30 EEEELO CC(=O)N[C@H](CC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1)c1ccccc1 ZINC000328906264 465163945 /nfs/dbraw/zinc/16/39/45/465163945.db2.gz KQCDUHJGTONMEO-KURKYZTESA-N 1 2 345.443 2.026 10 30 EEEELO Cc1cc(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)nn1-c1cccc(C#N)c1 ZINC000578903559 468278802 /nfs/dbraw/zinc/27/88/02/468278802.db2.gz NHKOSQXZANUWBJ-AWEZNQCLSA-N 1 2 346.394 2.063 10 30 EEEELO Cc1cc(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)nn1-c1cccc(C#N)c1 ZINC000578903559 468278808 /nfs/dbraw/zinc/27/88/08/468278808.db2.gz NHKOSQXZANUWBJ-AWEZNQCLSA-N 1 2 346.394 2.063 10 30 EEEELO C=CC[N@@H+](CC(=O)NC(=O)NCCCC)Cc1cccc([N+](=O)[O-])c1 ZINC000063288456 462638327 /nfs/dbraw/zinc/63/83/27/462638327.db2.gz OYFCLLRPKBJOKE-UHFFFAOYSA-N 1 2 348.403 2.209 10 30 EEEELO C=CC[N@H+](CC(=O)NC(=O)NCCCC)Cc1cccc([N+](=O)[O-])c1 ZINC000063288456 462638329 /nfs/dbraw/zinc/63/83/29/462638329.db2.gz OYFCLLRPKBJOKE-UHFFFAOYSA-N 1 2 348.403 2.209 10 30 EEEELO CN(C)c1[nH+]cccc1CNC(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000133932834 462985951 /nfs/dbraw/zinc/98/59/51/462985951.db2.gz ITDGSZSHVJLWIZ-UHFFFAOYSA-N 1 2 338.411 2.493 10 30 EEEELO C=CCNC(=O)C[NH+]1CCN(Cc2c(Cl)cccc2Cl)CC1 ZINC000053422683 463160935 /nfs/dbraw/zinc/16/09/35/463160935.db2.gz OIRSJAWSICIQOI-UHFFFAOYSA-N 1 2 342.270 2.413 10 30 EEEELO CCn1cc[nH+]c1[C@H](NC(=O)c1ccnc(C#N)c1)C1CCOCC1 ZINC000287008887 463771153 /nfs/dbraw/zinc/77/11/53/463771153.db2.gz UAINCOHXFRQAJW-MRXNPFEDSA-N 1 2 339.399 2.067 10 30 EEEELO C#CC[C@H](Cc1ccccc1)NC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000287448422 463899561 /nfs/dbraw/zinc/89/95/61/463899561.db2.gz OBMZUTSOFHAEJD-ZIFCJYIRSA-N 1 2 343.471 2.029 10 30 EEEELO C#CCC(CC#C)C(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000277405501 463914634 /nfs/dbraw/zinc/91/46/34/463914634.db2.gz LILVLHDXPLLCPG-UHFFFAOYSA-N 1 2 338.455 2.220 10 30 EEEELO Cc1nc2ccccn2c(=O)c1CC[N@H+](CCC#N)Cc1ccccn1 ZINC000283662821 463965646 /nfs/dbraw/zinc/96/56/46/463965646.db2.gz DJHPLTWGDUMWLM-UHFFFAOYSA-N 1 2 347.422 2.356 10 30 EEEELO Cc1nc2ccccn2c(=O)c1CC[N@@H+](CCC#N)Cc1ccccn1 ZINC000283662821 463965655 /nfs/dbraw/zinc/96/56/55/463965655.db2.gz DJHPLTWGDUMWLM-UHFFFAOYSA-N 1 2 347.422 2.356 10 30 EEEELO CCc1nc([C@@H]2CCC[N@@H+]2C[C@@H](O)COc2ccc(C#N)cc2)no1 ZINC000229296670 464196294 /nfs/dbraw/zinc/19/62/94/464196294.db2.gz GKSVSBWKKBFZNA-ZBFHGGJFSA-N 1 2 342.399 2.080 10 30 EEEELO CCc1nc([C@@H]2CCC[N@H+]2C[C@@H](O)COc2ccc(C#N)cc2)no1 ZINC000229296670 464196302 /nfs/dbraw/zinc/19/63/02/464196302.db2.gz GKSVSBWKKBFZNA-ZBFHGGJFSA-N 1 2 342.399 2.080 10 30 EEEELO C[C@@H](NC(=O)c1ccc(C2(C#N)CC2)cc1)[C@@H](C)[NH+]1CCOCC1 ZINC000180276458 464278780 /nfs/dbraw/zinc/27/87/80/464278780.db2.gz VYUPUUKJKAISOC-HUUCEWRRSA-N 1 2 327.428 2.081 10 30 EEEELO N#Cc1ccc(-c2nnc(C[N@@H+]3CCC[C@H](n4cncn4)C3)o2)cc1 ZINC000173651781 464301744 /nfs/dbraw/zinc/30/17/44/464301744.db2.gz MUVDZQJYLSBCMI-HNNXBMFYSA-N 1 2 335.371 2.037 10 30 EEEELO N#Cc1ccc(-c2nnc(C[N@H+]3CCC[C@H](n4cncn4)C3)o2)cc1 ZINC000173651781 464301749 /nfs/dbraw/zinc/30/17/49/464301749.db2.gz MUVDZQJYLSBCMI-HNNXBMFYSA-N 1 2 335.371 2.037 10 30 EEEELO Cc1nsc(NC(=O)N2CCN(c3cccc[nH+]3)CC2)c1C#N ZINC000294307934 464460994 /nfs/dbraw/zinc/46/09/94/464460994.db2.gz VRHLSAZKWXLVJH-UHFFFAOYSA-N 1 2 328.401 2.072 10 30 EEEELO C#CC[N@H+]1CC[C@@H](c2ccc(F)cc2)[C@@H](NC(=O)C(F)(F)F)C1 ZINC000245534562 464492922 /nfs/dbraw/zinc/49/29/22/464492922.db2.gz FBSKRNKKOUYCLB-KBPBESRZSA-N 1 2 328.309 2.295 10 30 EEEELO C#CC[N@@H+]1CC[C@@H](c2ccc(F)cc2)[C@@H](NC(=O)C(F)(F)F)C1 ZINC000245534562 464492925 /nfs/dbraw/zinc/49/29/25/464492925.db2.gz FBSKRNKKOUYCLB-KBPBESRZSA-N 1 2 328.309 2.295 10 30 EEEELO C[C@@H]1C[C@H](O)CN1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000329990303 465497897 /nfs/dbraw/zinc/49/78/97/465497897.db2.gz WBCNPJWVLWFHHW-PDUOOLKUSA-N 1 2 339.386 2.079 10 30 EEEELO C[C@@H]1C[C@H](O)CN1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000329990303 465497904 /nfs/dbraw/zinc/49/79/04/465497904.db2.gz WBCNPJWVLWFHHW-PDUOOLKUSA-N 1 2 339.386 2.079 10 30 EEEELO N#Cc1cc(NC(=O)c2ccc(C[NH+]3CCOCC3)cn2)ccc1F ZINC000569065876 468430465 /nfs/dbraw/zinc/43/04/65/468430465.db2.gz SLCAIYCAFLMFLJ-UHFFFAOYSA-N 1 2 340.358 2.177 10 30 EEEELO CC(C)CCN(CCC#N)C(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000343270615 465497175 /nfs/dbraw/zinc/49/71/75/465497175.db2.gz FIYOCODRLNHPIO-UHFFFAOYSA-N 1 2 344.459 2.316 10 30 EEEELO N#C[C@@H]1CN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)C[C@H]1c1ccccc1 ZINC000330237534 465581610 /nfs/dbraw/zinc/58/16/10/465581610.db2.gz ZNDMBJKSHDOBOE-OAGGEKHMSA-N 1 2 335.411 2.420 10 30 EEEELO N#C[C@@H]1CN(C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)C[C@H]1c1ccccc1 ZINC000330237534 465581619 /nfs/dbraw/zinc/58/16/19/465581619.db2.gz ZNDMBJKSHDOBOE-OAGGEKHMSA-N 1 2 335.411 2.420 10 30 EEEELO N#Cc1cccc(-c2cc(C(=O)N3CC[NH+](CCCF)CC3)on2)c1 ZINC000600077000 468451347 /nfs/dbraw/zinc/45/13/47/468451347.db2.gz UAQVSIFCNRGBQM-UHFFFAOYSA-N 1 2 342.374 2.331 10 30 EEEELO CC(=O)c1ccc(C#N)cc1N1CCN(C2=[NH+]C[C@@H](C)S2)CC1 ZINC000302035520 466084351 /nfs/dbraw/zinc/08/43/51/466084351.db2.gz FHIPPJSWUHQYEA-GFCCVEGCSA-N 1 2 328.441 2.374 10 30 EEEELO OCc1cn([C@H]2CCC[N@H+](CC#Cc3ccccc3Cl)C2)nn1 ZINC000555592481 468486334 /nfs/dbraw/zinc/48/63/34/468486334.db2.gz UQPGLEDFYFULND-INIZCTEOSA-N 1 2 330.819 2.112 10 30 EEEELO OCc1cn([C@H]2CCC[N@@H+](CC#Cc3ccccc3Cl)C2)nn1 ZINC000555592481 468486339 /nfs/dbraw/zinc/48/63/39/468486339.db2.gz UQPGLEDFYFULND-INIZCTEOSA-N 1 2 330.819 2.112 10 30 EEEELO Cc1cn2c([nH+]1)CN([C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1)CC2 ZINC000373320150 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C=C[C@H](CC)CC(=O)N[C@@]1(CO)CCC[N@@H+](Cc2ccns2)C1 ZINC001484441127 1191349676 /nfs/dbraw/zinc/34/96/76/1191349676.db2.gz ULQJXQVDBAYKEQ-PBHICJAKSA-N 1 2 337.489 2.189 10 30 EEEELO CC(C)(C)C#CC(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2Cc1cnns1 ZINC001484455771 1191358317 /nfs/dbraw/zinc/35/83/17/1191358317.db2.gz KIDNLBIMEXWMQM-GJZGRUSLSA-N 1 2 332.473 2.153 10 30 EEEELO CC(C)(C)C#CC(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2Cc1cnns1 ZINC001484455771 1191358318 /nfs/dbraw/zinc/35/83/18/1191358318.db2.gz KIDNLBIMEXWMQM-GJZGRUSLSA-N 1 2 332.473 2.153 10 30 EEEELO C=C(C)CCC(=O)N[C@@H]1CCC[N@@H+]([C@H](C)c2nnnn2C2CC2)CC1 ZINC001484714564 1191479007 /nfs/dbraw/zinc/47/90/07/1191479007.db2.gz CUHCJJCUOZYRIV-HUUCEWRRSA-N 1 2 346.479 2.396 10 30 EEEELO C=C(C)CCC(=O)N[C@@H]1CCC[N@H+]([C@H](C)c2nnnn2C2CC2)CC1 ZINC001484714564 1191479009 /nfs/dbraw/zinc/47/90/09/1191479009.db2.gz CUHCJJCUOZYRIV-HUUCEWRRSA-N 1 2 346.479 2.396 10 30 EEEELO COCC#CC[N@@H+]1Cc2ccc(CNC(=O)[C@@H](C)SC)cc2C1 ZINC001484875103 1191559156 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CC(C)n1ccc(C[N@@H+](C)C[C@H]2CCCN2C(=O)CSCC#N)n1 ZINC001485046522 1191629285 /nfs/dbraw/zinc/62/92/85/1191629285.db2.gz DNZRLWQPLWSTOP-MRXNPFEDSA-N 1 2 349.504 2.144 10 30 EEEELO CC(C)(C)C#CC(=O)NC1CC(C[NH2+]Cc2nnsc2Cl)C1 ZINC001485092466 1191653093 /nfs/dbraw/zinc/65/30/93/1191653093.db2.gz OMMDIJFNEALKNF-UHFFFAOYSA-N 1 2 340.880 2.225 10 30 EEEELO C=C(C)CCC(=O)N[C@@]12CCC[C@H]1[N@H+](CC(=O)Nc1ccon1)CC2 ZINC001486149884 1193700135 /nfs/dbraw/zinc/70/01/35/1193700135.db2.gz WSVCUZHXEANNDY-RDTXWAMCSA-N 1 2 346.431 2.083 10 30 EEEELO C=C(C)CCC(=O)N[C@@]12CCC[C@H]1[N@@H+](CC(=O)Nc1ccon1)CC2 ZINC001486149884 1193700136 /nfs/dbraw/zinc/70/01/36/1193700136.db2.gz WSVCUZHXEANNDY-RDTXWAMCSA-N 1 2 346.431 2.083 10 30 EEEELO C#CCNC(=O)C[N@@H+](C)CCN(C(=O)[C@H]1CCC=CCCC1)C(C)C ZINC001486370566 1193874359 /nfs/dbraw/zinc/87/43/59/1193874359.db2.gz ZGUHERVEAXDAHR-SFHVURJKSA-N 1 2 347.503 2.041 10 30 EEEELO C#CCNC(=O)C[N@H+](C)CCN(C(=O)[C@H]1CCC=CCCC1)C(C)C ZINC001486370566 1193874364 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XETQKDVLXXZGJW-XLPNERPQSA-N 1 2 346.475 2.202 10 30 EEEELO C=C[C@@](C)(CC)C(=O)NC[C@H]1C[C@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001487426612 1197431332 /nfs/dbraw/zinc/43/13/32/1197431332.db2.gz XETQKDVLXXZGJW-XLPNERPQSA-N 1 2 346.475 2.202 10 30 EEEELO CN(C)c1ccc(C#N)cc1C[NH2+]Cc1ccccc1S(C)(=O)=O ZINC000865603049 1198294269 /nfs/dbraw/zinc/29/42/69/1198294269.db2.gz ZWUDMHDNISORDK-UHFFFAOYSA-N 1 2 343.452 2.318 10 30 EEEELO C=CCn1c(C)nn(C[N@@H+]2CC[C@@]3(C(=O)OC)CCC[C@@H]23)c1=S ZINC000872827579 1198407623 /nfs/dbraw/zinc/40/76/23/1198407623.db2.gz IAFYRZNZNTUZML-CJNGLKHVSA-N 1 2 336.461 2.284 10 30 EEEELO C=CCn1c(C)nn(C[N@H+]2CC[C@@]3(C(=O)OC)CCC[C@@H]23)c1=S ZINC000872827579 1198407627 /nfs/dbraw/zinc/40/76/27/1198407627.db2.gz IAFYRZNZNTUZML-CJNGLKHVSA-N 1 2 336.461 2.284 10 30 EEEELO C#CCN(C(=O)NC[C@@H]1C[N@H+](Cc2cccc(C)c2)CCO1)C1CC1 ZINC000876195943 1199538195 /nfs/dbraw/zinc/53/81/95/1199538195.db2.gz WSZHKZZQGWPPOI-LJQANCHMSA-N 1 2 341.455 2.003 10 30 EEEELO C#CCN(C(=O)NC[C@@H]1C[N@@H+](Cc2cccc(C)c2)CCO1)C1CC1 ZINC000876195943 1199538200 /nfs/dbraw/zinc/53/82/00/1199538200.db2.gz WSZHKZZQGWPPOI-LJQANCHMSA-N 1 2 341.455 2.003 10 30 EEEELO CC(C)(C(=O)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccc(C#N)cc1 ZINC000870046555 1200431694 /nfs/dbraw/zinc/43/16/94/1200431694.db2.gz VLAHLQRFVJYKRF-CALCHBBNSA-N 1 2 328.412 2.242 10 30 EEEELO CC(C)(C(=O)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccc(C#N)cc1 ZINC000870046555 1200431698 /nfs/dbraw/zinc/43/16/98/1200431698.db2.gz VLAHLQRFVJYKRF-CALCHBBNSA-N 1 2 328.412 2.242 10 30 EEEELO C#C[C@H](NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccc(F)cc1 ZINC000812894774 1200988444 /nfs/dbraw/zinc/98/84/44/1200988444.db2.gz QTHAGOJVBYSIRX-SJORKVTESA-N 1 2 338.386 2.473 10 30 EEEELO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)Cc1ccc(Cl)cc1Cl ZINC000884054144 1202214683 /nfs/dbraw/zinc/21/46/83/1202214683.db2.gz SBCZZUKEBWFLTI-ZDUSSCGKSA-N 1 2 345.226 2.398 10 30 EEEELO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@@H](c2ccccc2)[C@H](C)C1 ZINC000884156190 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MWRNHHKSKVICJD-CQSZACIVSA-N 1 2 344.459 2.026 10 30 EEEELO C=CCC(CC=C)C(=O)N1CC(N(C)C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001299362899 1205134113 /nfs/dbraw/zinc/13/41/13/1205134113.db2.gz MWRNHHKSKVICJD-CQSZACIVSA-N 1 2 344.459 2.026 10 30 EEEELO CC[N@@H+](Cc1csnn1)CC1CCN(C(=O)C#CC(C)C)CC1 ZINC001274950684 1205216476 /nfs/dbraw/zinc/21/64/76/1205216476.db2.gz SMUFUKHCYYQOEN-UHFFFAOYSA-N 1 2 334.489 2.258 10 30 EEEELO CC[N@H+](Cc1csnn1)CC1CCN(C(=O)C#CC(C)C)CC1 ZINC001274950684 1205216479 /nfs/dbraw/zinc/21/64/79/1205216479.db2.gz SMUFUKHCYYQOEN-UHFFFAOYSA-N 1 2 334.489 2.258 10 30 EEEELO C=CC(C)(C)C(=O)N[C@@H](C)C[NH2+]Cc1ncn(-c2ccccc2)n1 ZINC001275266384 1205294088 /nfs/dbraw/zinc/29/40/88/1205294088.db2.gz LFKDKIBQXMOVTM-AWEZNQCLSA-N 1 2 327.432 2.074 10 30 EEEELO C=C[C@](C)(CC)C(=O)N[C@@H](C)C[N@H+](C)CC(=O)Nc1nccs1 ZINC001275637136 1205456305 /nfs/dbraw/zinc/45/63/05/1205456305.db2.gz ILIRQMUTTDCXLN-BLLLJJGKSA-N 1 2 338.477 2.120 10 30 EEEELO 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ZINC001484017952 1191157331 /nfs/dbraw/zinc/15/73/31/1191157331.db2.gz PVEBWVMUDBJLMA-CVEARBPZSA-N 1 2 344.459 2.391 10 30 EEEELO CC#CCCCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1nc(CC)no1 ZINC001484017952 1191157332 /nfs/dbraw/zinc/15/73/32/1191157332.db2.gz PVEBWVMUDBJLMA-CVEARBPZSA-N 1 2 344.459 2.391 10 30 EEEELO C=C1CC(C)(C(=O)N(CCO)CC[NH2+]Cc2ncc(C(C)C)o2)C1 ZINC001484493921 1191383404 /nfs/dbraw/zinc/38/34/04/1191383404.db2.gz MRTKFTZZCRXZIG-UHFFFAOYSA-N 1 2 335.448 2.065 10 30 EEEELO C#Cc1ccc(C(=O)NC[C@H]2COCC[N@H+]2CCCC(C)(C)C)cn1 ZINC001484610311 1191441411 /nfs/dbraw/zinc/44/14/11/1191441411.db2.gz QNGYTZNCPXCKNL-SFHVURJKSA-N 1 2 343.471 2.320 10 30 EEEELO C#Cc1ccc(C(=O)NC[C@H]2COCC[N@@H+]2CCCC(C)(C)C)cn1 ZINC001484610311 1191441413 /nfs/dbraw/zinc/44/14/13/1191441413.db2.gz QNGYTZNCPXCKNL-SFHVURJKSA-N 1 2 343.471 2.320 10 30 EEEELO C#CCC1(C(=O)NC[C@H]2CCC3(C[NH+](CC=C)C3)O2)CCCCC1 ZINC001484790721 1191527022 /nfs/dbraw/zinc/52/70/22/1191527022.db2.gz NRQZSSMTBLHSGG-QGZVFWFLSA-N 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1193700381 /nfs/dbraw/zinc/70/03/81/1193700381.db2.gz WSVCUZHXEANNDY-KDOFPFPSSA-N 1 2 346.431 2.083 10 30 EEEELO C=C(C)CCC(=O)N[C@]12CCC[C@H]1[N@@H+](CC(=O)Nc1ccon1)CC2 ZINC001486149879 1193700383 /nfs/dbraw/zinc/70/03/83/1193700383.db2.gz WSVCUZHXEANNDY-KDOFPFPSSA-N 1 2 346.431 2.083 10 30 EEEELO CC(C)N(CC[N@H+](C)Cc1ccccc1C#N)C(=O)Cc1ccon1 ZINC001486363793 1193862616 /nfs/dbraw/zinc/86/26/16/1193862616.db2.gz JIVZUKVEQZKWAR-UHFFFAOYSA-N 1 2 340.427 2.458 10 30 EEEELO CC(C)N(CC[N@@H+](C)Cc1ccccc1C#N)C(=O)Cc1ccon1 ZINC001486363793 1193862621 /nfs/dbraw/zinc/86/26/21/1193862621.db2.gz JIVZUKVEQZKWAR-UHFFFAOYSA-N 1 2 340.427 2.458 10 30 EEEELO C=C(C)CCC(=O)NCc1ccc(C[NH2+]Cc2nncn2C)cc1F ZINC001486524134 1194046826 /nfs/dbraw/zinc/04/68/26/1194046826.db2.gz QOPCOOJTMLCFPL-UHFFFAOYSA-N 1 2 345.422 2.217 10 30 EEEELO C=C1CCC(C(=O)N(C)CC(C)(C)CNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001486774681 1194233754 /nfs/dbraw/zinc/23/37/54/1194233754.db2.gz LBZPCGPDZHIETG-UHFFFAOYSA-N 1 2 346.475 2.299 10 30 EEEELO C=C1CC(C)(C(=O)N[C@@H]2CCC[C@@H](NC(=O)CCn3cc[nH+]c3)C2)C1 ZINC001487380774 1197390728 /nfs/dbraw/zinc/39/07/28/1197390728.db2.gz VYYQUTUMBGIRFQ-HZPDHXFCSA-N 1 2 344.459 2.173 10 30 EEEELO Cc1ccccc1C[N@@H+]1CCO[C@H](CNC[C@@H](C#N)CCC#N)C1 ZINC000872226510 1198097675 /nfs/dbraw/zinc/09/76/75/1198097675.db2.gz MPJXEKHDSMBOHN-IEBWSBKVSA-N 1 2 326.444 2.229 10 30 EEEELO Cc1ccccc1C[N@H+]1CCO[C@H](CNC[C@@H](C#N)CCC#N)C1 ZINC000872226510 1198097677 /nfs/dbraw/zinc/09/76/77/1198097677.db2.gz MPJXEKHDSMBOHN-IEBWSBKVSA-N 1 2 326.444 2.229 10 30 EEEELO C[C@H](CC(=O)c1ccc(F)cc1)C(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000865197216 1198122904 /nfs/dbraw/zinc/12/29/04/1198122904.db2.gz ALBIHPGFYATLGW-CYBMUJFWSA-N 1 2 331.391 2.139 10 30 EEEELO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H](C)C(CC)CC)C2)CC1 ZINC001273374783 1198392980 /nfs/dbraw/zinc/39/29/80/1198392980.db2.gz MIAFQECVGPYYCQ-HKUYNNGSSA-N 1 2 333.520 2.301 10 30 EEEELO N#Cc1ccc2[nH]c(NC(=O)[C@@H]3CCC[N@@H+]3Cc3ccccn3)nc2c1 ZINC000871071505 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IXAGEMYDTAGPKC-GJZGRUSLSA-N 1 2 336.819 2.450 10 30 EEEELO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CCC(C)(C)c2ccccc21 ZINC000884111823 1202235330 /nfs/dbraw/zinc/23/53/30/1202235330.db2.gz UUFJYWMHRYCDOD-JKSUJKDBSA-N 1 2 330.428 2.362 10 30 EEEELO C=CCn1cc2ccc(NC(=O)/C=C(/C)C[NH+]3CCOCC3)cc2n1 ZINC000886649242 1202540467 /nfs/dbraw/zinc/54/04/67/1202540467.db2.gz USBBRJQNFBZANW-PTNGSMBKSA-N 1 2 340.427 2.439 10 30 EEEELO C=CCCC(=O)NCc1ccc2c(c1)C[N@H+]([C@@H](C)C(=O)NCCC)C2 ZINC001274027099 1204335105 /nfs/dbraw/zinc/33/51/05/1204335105.db2.gz CDNCJDMKILNCBF-HNNXBMFYSA-N 1 2 343.471 2.499 10 30 EEEELO C=CCCC(=O)NCc1ccc2c(c1)C[N@@H+]([C@@H](C)C(=O)NCCC)C2 ZINC001274027099 1204335108 /nfs/dbraw/zinc/33/51/08/1204335108.db2.gz CDNCJDMKILNCBF-HNNXBMFYSA-N 1 2 343.471 2.499 10 30 EEEELO CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CCc2cc[nH+]c(N)c2C1 ZINC001412437712 1205725243 /nfs/dbraw/zinc/72/52/43/1205725243.db2.gz PHHOWSLLCUYPQQ-UHFFFAOYSA-N 1 2 336.395 2.278 10 30 EEEELO C[C@@]1(C#N)CN(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)CCO1 ZINC000929320704 1206465083 /nfs/dbraw/zinc/46/50/83/1206465083.db2.gz DZYKTPGSQBLXKT-MRXNPFEDSA-N 1 2 349.460 2.275 10 30 EEEELO C=CCN(Cc1cccc(C#N)c1)C(=O)/C=C(\C)C[NH+]1CCOCC1 ZINC000900417106 1234335427 /nfs/dbraw/zinc/33/54/27/1234335427.db2.gz CTMJGDIZTKYBKF-SFQUDFHCSA-N 1 2 339.439 2.351 10 30 EEEELO CC#CCCCC(=O)NC[C@H]1CCC[N@@H+](Cc2nnc(CC)o2)C1 ZINC001491117677 1258714926 /nfs/dbraw/zinc/71/49/26/1258714926.db2.gz UAXJBCBCLIGAGR-OAHLLOKOSA-N 1 2 332.448 2.154 10 30 EEEELO CC#CCCCC(=O)NC[C@H]1CCC[N@H+](Cc2nnc(CC)o2)C1 ZINC001491117677 1258714936 /nfs/dbraw/zinc/71/49/36/1258714936.db2.gz UAXJBCBCLIGAGR-OAHLLOKOSA-N 1 2 332.448 2.154 10 30 EEEELO C=CCCOCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cncc(F)c1 ZINC001491237868 1258830798 /nfs/dbraw/zinc/83/07/98/1258830798.db2.gz SJAFXBSVQHITFR-KRWDZBQOSA-N 1 2 335.423 2.284 10 30 EEEELO C=CCCOCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cncc(F)c1 ZINC001491237868 1258830805 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CLLQVMIVOXBIJT-CABCVRRESA-N 1 2 341.411 2.119 10 30 EEEELO C#CCOCCC(=O)NC[C@@H]1CC[N@@H+]1[C@H](C)c1nc2ccccc2o1 ZINC001323224502 1333415991 /nfs/dbraw/zinc/41/59/91/1333415991.db2.gz CLLQVMIVOXBIJT-CABCVRRESA-N 1 2 341.411 2.119 10 30 EEEELO COCC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(C)c(Cl)c1F ZINC001323274204 1333428700 /nfs/dbraw/zinc/42/87/00/1333428700.db2.gz WSPYYBJBHSADTF-ZDUSSCGKSA-N 1 2 338.810 2.241 10 30 EEEELO COCC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(C)c(Cl)c1F ZINC001323274204 1333428701 /nfs/dbraw/zinc/42/87/01/1333428701.db2.gz WSPYYBJBHSADTF-ZDUSSCGKSA-N 1 2 338.810 2.241 10 30 EEEELO C#CCCCCCC(=O)NC[C@@H]1CC[N@H+]1CC(=O)N1CCC[C@H](C)C1 ZINC001323276398 1333429525 /nfs/dbraw/zinc/42/95/25/1333429525.db2.gz FNXONUBDIUMXJF-ROUUACIJSA-N 1 2 347.503 2.019 10 30 EEEELO C#CCCCCCC(=O)NC[C@@H]1CC[N@@H+]1CC(=O)N1CCC[C@H](C)C1 ZINC001323276398 1333429528 /nfs/dbraw/zinc/42/95/28/1333429528.db2.gz FNXONUBDIUMXJF-ROUUACIJSA-N 1 2 347.503 2.019 10 30 EEEELO C#Cc1ccccc1CC(=O)NC[C@H]1CC[N@H+]1Cc1conc1CC ZINC001323340844 1333445089 /nfs/dbraw/zinc/44/50/89/1333445089.db2.gz QSJITKUFPDSQKJ-GOSISDBHSA-N 1 2 337.423 2.152 10 30 EEEELO C#Cc1ccccc1CC(=O)NC[C@H]1CC[N@@H+]1Cc1conc1CC ZINC001323340844 1333445092 /nfs/dbraw/zinc/44/50/92/1333445092.db2.gz QSJITKUFPDSQKJ-GOSISDBHSA-N 1 2 337.423 2.152 10 30 EEEELO C[C@H](CC(=O)N1CCC([N@H+](CC#N)CC2CC2)CC1)n1cccn1 ZINC001323736389 1333527934 /nfs/dbraw/zinc/52/79/34/1333527934.db2.gz NIXRCUKETYKDKW-OAHLLOKOSA-N 1 2 329.448 2.061 10 30 EEEELO C[C@H](CC(=O)N1CCC([N@@H+](CC#N)CC2CC2)CC1)n1cccn1 ZINC001323736389 1333527936 /nfs/dbraw/zinc/52/79/36/1333527936.db2.gz NIXRCUKETYKDKW-OAHLLOKOSA-N 1 2 329.448 2.061 10 30 EEEELO C=CCCCC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1cn(CC)nn1)C2 ZINC001323813247 1333545092 /nfs/dbraw/zinc/54/50/92/1333545092.db2.gz QDHNPLVPIMAXOK-IBGZPJMESA-N 1 2 345.491 2.469 10 30 EEEELO C=CCCCC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1cn(CC)nn1)C2 ZINC001323813247 1333545097 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2.230 10 30 EEEELO CCCCCCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cn2c(n1)CCC2 ZINC001326631814 1334128398 /nfs/dbraw/zinc/12/83/98/1334128398.db2.gz FRARTTIMYRTPHO-INIZCTEOSA-N 1 2 348.491 2.230 10 30 EEEELO C=CCCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cc(C2CC2)n(CC)n1 ZINC001326645299 1334131962 /nfs/dbraw/zinc/13/19/62/1334131962.db2.gz ZJKDZOHIEHGPRO-INIZCTEOSA-N 1 2 346.475 2.177 10 30 EEEELO C=CCCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cc(C2CC2)n(CC)n1 ZINC001326645299 1334131965 /nfs/dbraw/zinc/13/19/65/1334131965.db2.gz ZJKDZOHIEHGPRO-INIZCTEOSA-N 1 2 346.475 2.177 10 30 EEEELO C=CCCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ncoc1C(C)(C)C ZINC001326666967 1334137920 /nfs/dbraw/zinc/13/79/20/1334137920.db2.gz JJDRWUSHANXZHT-AWEZNQCLSA-N 1 2 335.448 2.369 10 30 EEEELO C=CCCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ncoc1C(C)(C)C ZINC001326666967 1334137923 /nfs/dbraw/zinc/13/79/23/1334137923.db2.gz JJDRWUSHANXZHT-AWEZNQCLSA-N 1 2 335.448 2.369 10 30 EEEELO C#CCCCC(=O)N[C@H]1CCC[N@@H+](Cc2nc(CCC)no2)CC1 ZINC001327116349 1334226206 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1336011720 /nfs/dbraw/zinc/01/17/20/1336011720.db2.gz GNIFRHIURPTJBF-OAHLLOKOSA-N 1 2 326.444 2.335 10 30 EEEELO C=CCCC(=O)N1CCC[C@@H]1CN(C)C(=O)c1cccc2[nH+]ccn21 ZINC001333533498 1336065255 /nfs/dbraw/zinc/06/52/55/1336065255.db2.gz DWZZTAROHWNWTG-OAHLLOKOSA-N 1 2 340.427 2.364 10 30 EEEELO C=CCCC(=O)N(C)C[C@@H]1CCCN1C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001333566073 1336074071 /nfs/dbraw/zinc/07/40/71/1336074071.db2.gz HKSRXNDRICYSHT-HOCLYGCPSA-N 1 2 332.448 2.004 10 30 EEEELO C=CCCC(=O)N(C)C[C@@H]1CCCN1C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001333566073 1336074072 /nfs/dbraw/zinc/07/40/72/1336074072.db2.gz HKSRXNDRICYSHT-HOCLYGCPSA-N 1 2 332.448 2.004 10 30 EEEELO COc1ccccc1-n1nccc1C[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC001333718256 1336113805 /nfs/dbraw/zinc/11/38/05/1336113805.db2.gz GGIPASIMZNMJBJ-IYBDPMFKSA-N 1 2 339.443 2.299 10 30 EEEELO COc1ccccc1-n1nccc1C[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC001333718256 1336113809 /nfs/dbraw/zinc/11/38/09/1336113809.db2.gz GGIPASIMZNMJBJ-IYBDPMFKSA-N 1 2 339.443 2.299 10 30 EEEELO C=C[C@@H](CC)CC(=O)N(C)C1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001336461355 1336548017 /nfs/dbraw/zinc/54/80/17/1336548017.db2.gz QPYIBKHVFRCFNK-HNNXBMFYSA-N 1 2 346.475 2.014 10 30 EEEELO CC#CCCCC(=O)N[C@H](CNC(=O)CCn1cc[nH+]c1)C(C)(C)C ZINC001338909916 1336930191 /nfs/dbraw/zinc/93/01/91/1336930191.db2.gz CIBYHDGYRBTJFD-MRXNPFEDSA-N 1 2 346.475 2.114 10 30 EEEELO C=C1CC(C)(C(=O)N(C)C2CC(NC(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC001339279179 1336984714 /nfs/dbraw/zinc/98/47/14/1336984714.db2.gz CRHKCUHVLUMNTM-FHERZECASA-N 1 2 344.459 2.296 10 30 EEEELO C=CCCC(=O)N[C@H](C)C[C@@H](C)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001339802992 1337075532 /nfs/dbraw/zinc/07/55/32/1337075532.db2.gz KDCNHGASUYUHQQ-ZIAGYGMSSA-N 1 2 334.464 2.292 10 30 EEEELO C=CCn1c(N2CC[C@H](C)C(C)(C)C2)nnc1[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001339855077 1337085557 /nfs/dbraw/zinc/08/55/57/1337085557.db2.gz NTFDOUTVCMLWOA-QMTMVMCOSA-N 1 2 347.507 2.248 10 30 EEEELO C=CCn1c(N2CC[C@H](C)C(C)(C)C2)nnc1[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC001339855077 1337085559 /nfs/dbraw/zinc/08/55/59/1337085559.db2.gz NTFDOUTVCMLWOA-QMTMVMCOSA-N 1 2 347.507 2.248 10 30 EEEELO C=C(C)Cn1c(N(C)C[C@H](C)CC)nnc1[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC001343289856 1337332361 /nfs/dbraw/zinc/33/23/61/1337332361.db2.gz VQRXZGHWSWJNTD-VKJFTORMSA-N 1 2 335.496 2.248 10 30 EEEELO C=C(C)Cn1c(N(C)C[C@H](C)CC)nnc1[C@]1(C)C[C@H](O)C[N@H+]1C ZINC001343289856 1337332362 /nfs/dbraw/zinc/33/23/62/1337332362.db2.gz VQRXZGHWSWJNTD-VKJFTORMSA-N 1 2 335.496 2.248 10 30 EEEELO CCO[C@@H](CC)C(=O)N[C@H]1CCC[N@H+](CC#Cc2ccccc2)C1 ZINC001479898517 1337538029 /nfs/dbraw/zinc/53/80/29/1337538029.db2.gz MSZJOJLCVAZOEH-OALUTQOASA-N 1 2 328.456 2.434 10 30 EEEELO CCO[C@@H](CC)C(=O)N[C@H]1CCC[N@@H+](CC#Cc2ccccc2)C1 ZINC001479898517 1337538035 /nfs/dbraw/zinc/53/80/35/1337538035.db2.gz MSZJOJLCVAZOEH-OALUTQOASA-N 1 2 328.456 2.434 10 30 EEEELO C=C[C@@H](C(=O)N[C@H]1CCc2c([nH+]c(C)n2CCO)C1)c1ccccc1 ZINC001348623233 1337566198 /nfs/dbraw/zinc/56/61/98/1337566198.db2.gz MKXWZNLKBSTKNC-DLBZAZTESA-N 1 2 339.439 2.127 10 30 EEEELO C=C(C)CCC(=O)N1CCCC[C@@H]1CCNC(=O)Cn1cc[nH+]c1 ZINC001357066158 1338944940 /nfs/dbraw/zinc/94/49/40/1338944940.db2.gz VDCAYLZGOQMYCZ-MRXNPFEDSA-N 1 2 332.448 2.127 10 30 EEEELO C[N@@H+](Cc1ncc(Br)cn1)C[C@@H](O)c1cccc(C#N)c1 ZINC001414043753 1339142875 /nfs/dbraw/zinc/14/28/75/1339142875.db2.gz FZEYILYZWNIEPH-CQSZACIVSA-N 1 2 347.216 2.276 10 30 EEEELO C[N@H+](Cc1ncc(Br)cn1)C[C@@H](O)c1cccc(C#N)c1 ZINC001414043753 1339142878 /nfs/dbraw/zinc/14/28/78/1339142878.db2.gz FZEYILYZWNIEPH-CQSZACIVSA-N 1 2 347.216 2.276 10 30 EEEELO CC[C@H](C)OCC(=O)N[C@@H](C)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001506619983 1342286669 /nfs/dbraw/zinc/28/66/69/1342286669.db2.gz QDZWZAHCXDBQRY-KBPBESRZSA-N 1 2 347.434 2.449 10 30 EEEELO C=C[C@](C)(CC)C(=O)NCC1(C)CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001506675866 1342310336 /nfs/dbraw/zinc/31/03/36/1342310336.db2.gz JNPPITBFKRAAML-LJQANCHMSA-N 1 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ZINC001628354261 1352531799 /nfs/dbraw/zinc/53/17/99/1352531799.db2.gz CSCIVUIEFAXZGN-CQSZACIVSA-N 1 2 330.453 2.051 10 30 EEEELO C#CC[N@@H+]1CCCN(C(=O)C[C@H]2CCc3sccc3C2=O)CC1 ZINC001628354261 1352531804 /nfs/dbraw/zinc/53/18/04/1352531804.db2.gz CSCIVUIEFAXZGN-CQSZACIVSA-N 1 2 330.453 2.051 10 30 EEEELO C=CCOCC[NH+]1CC(N(C)C(=O)C2(Cc3ccccc3F)CC2)C1 ZINC001671176322 1352670841 /nfs/dbraw/zinc/67/08/41/1352670841.db2.gz SZPKWIMLZYFEIM-UHFFFAOYSA-N 1 2 346.446 2.494 10 30 EEEELO CC#CCCCC(=O)NC[C@@H]1CCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001649528784 1353552148 /nfs/dbraw/zinc/55/21/48/1353552148.db2.gz NBEOUVHDCFBKFC-HNNXBMFYSA-N 1 2 338.411 2.087 10 30 EEEELO COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H](C)Cc1ccccc1C ZINC001656113184 1354204157 /nfs/dbraw/zinc/20/41/57/1354204157.db2.gz SDHVLUSDLIKJSA-QUCCMNQESA-N 1 2 342.483 2.356 10 30 EEEELO COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H](C)Cc1ccccc1C ZINC001656113184 1354204160 /nfs/dbraw/zinc/20/41/60/1354204160.db2.gz SDHVLUSDLIKJSA-QUCCMNQESA-N 1 2 342.483 2.356 10 30 EEEELO C=CCCCC(=O)N[C@@H]1CC[N@@H+](Cc2ncnn2C)CC(C)(C)C1 ZINC001657101520 1354325526 /nfs/dbraw/zinc/32/55/26/1354325526.db2.gz BIGLBEJUNDEHHF-OAHLLOKOSA-N 1 2 333.480 2.278 10 30 EEEELO C=CCCCC(=O)N[C@@H]1CC[N@H+](Cc2ncnn2C)CC(C)(C)C1 ZINC001657101520 1354325528 /nfs/dbraw/zinc/32/55/28/1354325528.db2.gz BIGLBEJUNDEHHF-OAHLLOKOSA-N 1 2 333.480 2.278 10 30 EEEELO C=C(C)CCC(=O)NCCC[N@@H+](C)Cc1nnc2n1CCCCC2 ZINC001660158878 1354406467 /nfs/dbraw/zinc/40/64/67/1354406467.db2.gz PSDVCAAOYDXMAU-UHFFFAOYSA-N 1 2 333.480 2.299 10 30 EEEELO C=C(C)CCC(=O)NCCC[N@H+](C)Cc1nnc2n1CCCCC2 ZINC001660158878 1354406469 /nfs/dbraw/zinc/40/64/69/1354406469.db2.gz PSDVCAAOYDXMAU-UHFFFAOYSA-N 1 2 333.480 2.299 10 30 EEEELO C=CCN(CC=C)C(=O)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCC(C)C ZINC001661239658 1354615503 /nfs/dbraw/zinc/61/55/03/1354615503.db2.gz HKCGRHFHZXAVLQ-HDICACEKSA-N 1 2 347.503 2.298 10 30 EEEELO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCC(C)C ZINC001661239658 1354615508 /nfs/dbraw/zinc/61/55/08/1354615508.db2.gz HKCGRHFHZXAVLQ-HDICACEKSA-N 1 2 347.503 2.298 10 30 EEEELO C#CCCCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2nnc(CC)o2)C1 ZINC001661712484 1354678063 /nfs/dbraw/zinc/67/80/63/1354678063.db2.gz GSKBKNPHFSCEKY-HNNXBMFYSA-N 1 2 332.448 2.154 10 30 EEEELO C#CCCCCC(=O)NC[C@@H]1CCC[N@H+](Cc2nnc(CC)o2)C1 ZINC001661712484 1354678069 /nfs/dbraw/zinc/67/80/69/1354678069.db2.gz GSKBKNPHFSCEKY-HNNXBMFYSA-N 1 2 332.448 2.154 10 30 EEEELO C#CCCCCCC(=O)N1CCC[C@H]([N@@H+](C)Cc2nccn2C)C1 ZINC001662855819 1354865989 /nfs/dbraw/zinc/86/59/89/1354865989.db2.gz FXWBKXJHJVZXME-KRWDZBQOSA-N 1 2 330.476 2.427 10 30 EEEELO C#CCCCCCC(=O)N1CCC[C@H]([N@H+](C)Cc2nccn2C)C1 ZINC001662855819 1354865992 /nfs/dbraw/zinc/86/59/92/1354865992.db2.gz FXWBKXJHJVZXME-KRWDZBQOSA-N 1 2 330.476 2.427 10 30 EEEELO C#CCC1(C(=O)N(C)CC[NH2+]Cc2nnc(C3CC3)o2)CCCCC1 ZINC001664402534 1355155881 /nfs/dbraw/zinc/15/58/81/1355155881.db2.gz AKANSSUULBHJIO-UHFFFAOYSA-N 1 2 344.459 2.469 10 30 EEEELO 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C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc(-c2nc(C3CC3)no2)cc1 ZINC000566307846 468148967 /nfs/dbraw/zinc/14/89/67/468148967.db2.gz BBMLLLSIHPXKDO-GOSISDBHSA-N 1 2 339.399 2.188 10 30 EEEELO N#Cc1ccc2c(c1)C[N@@H+](Cc1cnc(N3CCOCC3)s1)C2 ZINC000594613318 468636672 /nfs/dbraw/zinc/63/66/72/468636672.db2.gz NIVFHTWBHKIKLT-UHFFFAOYSA-N 1 2 326.425 2.367 10 30 EEEELO N#Cc1ccc2c(c1)C[N@H+](Cc1cnc(N3CCOCC3)s1)C2 ZINC000594613318 468636679 /nfs/dbraw/zinc/63/66/79/468636679.db2.gz NIVFHTWBHKIKLT-UHFFFAOYSA-N 1 2 326.425 2.367 10 30 EEEELO COC(=O)CC[C@H](C(=O)OC)[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000595407662 468841466 /nfs/dbraw/zinc/84/14/66/468841466.db2.gz KAFZRRNVZXTGAP-QGZVFWFLSA-N 1 2 342.395 2.142 10 30 EEEELO COC(=O)CC[C@H](C(=O)OC)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000595407662 468841468 /nfs/dbraw/zinc/84/14/68/468841468.db2.gz KAFZRRNVZXTGAP-QGZVFWFLSA-N 1 2 342.395 2.142 10 30 EEEELO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3ccc(C#N)cc3[N+](=O)[O-])[C@H]2C1 ZINC000593020406 468842641 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EEEELO C=CC[C@@H]1CCN(C(=O)NCc2ccc[nH+]c2N2CCOCC2)C1 ZINC000623408285 469647033 /nfs/dbraw/zinc/64/70/33/469647033.db2.gz PKNUDLDETOUTSF-OAHLLOKOSA-N 1 2 330.432 2.026 10 30 EEEELO CC[C@H](C)NC(=O)C[NH+]1CCN([C@H](C#N)c2ccc(Cl)cc2)CC1 ZINC000619784668 469681812 /nfs/dbraw/zinc/68/18/12/469681812.db2.gz JKSRFOOWOYHSBC-WMLDXEAASA-N 1 2 348.878 2.437 10 30 EEEELO COC(=O)C(C)(C)[NH+]1CCN(c2cc(C#N)nc3ccccc32)CC1 ZINC000614523946 469962436 /nfs/dbraw/zinc/96/24/36/469962436.db2.gz SHCDPUKDZKREMK-UHFFFAOYSA-N 1 2 338.411 2.180 10 30 EEEELO C=CC[C@H]1CCN(C(=O)C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)C1 ZINC000627734455 469984992 /nfs/dbraw/zinc/98/49/92/469984992.db2.gz TUMSOVPDBVZPKK-AWEZNQCLSA-N 1 2 338.411 2.450 10 30 EEEELO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCc2nnn(C3CC(C)C3)c2C1 ZINC000640037952 470764448 /nfs/dbraw/zinc/76/44/48/470764448.db2.gz SVPIPADYFZVWPN-HWOWSKLDSA-N 1 2 343.475 2.196 10 30 EEEELO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCc2nnn(C3CC(C)C3)c2C1 ZINC000640037952 470764452 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347.459 2.125 10 30 EEEELO C=C1CC(C)(C(=O)N2CCC[C@H]([N@H+](CCO)Cc3cc(C)on3)C2)C1 ZINC001691532332 1187355910 /nfs/dbraw/zinc/35/59/10/1187355910.db2.gz LHRPFRFGFQBOFU-KRWDZBQOSA-N 1 2 347.459 2.125 10 30 EEEELO C=CCCC(=O)N1CCC[C@H]2C[N@@H+](Cc3nnc(C)n3C3CC3)C[C@H]21 ZINC001272062534 1187357675 /nfs/dbraw/zinc/35/76/75/1187357675.db2.gz NBRNLPDEGNAEFA-DOTOQJQBSA-N 1 2 343.475 2.310 10 30 EEEELO C=CCCC(=O)N1CCC[C@H]2C[N@H+](Cc3nnc(C)n3C3CC3)C[C@H]21 ZINC001272062534 1187357681 /nfs/dbraw/zinc/35/76/81/1187357681.db2.gz NBRNLPDEGNAEFA-DOTOQJQBSA-N 1 2 343.475 2.310 10 30 EEEELO C=C(C)CCC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2Cc2noc(CC)n2)C1 ZINC001482657769 1187494631 /nfs/dbraw/zinc/49/46/31/1187494631.db2.gz BGXGPMCCAIYCAD-LSDHHAIUSA-N 1 2 332.448 2.411 10 30 EEEELO C=C(C)CCC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2noc(CC)n2)C1 ZINC001482657769 1187494637 /nfs/dbraw/zinc/49/46/37/1187494637.db2.gz BGXGPMCCAIYCAD-LSDHHAIUSA-N 1 2 332.448 2.411 10 30 EEEELO N#CC[N@H+](CC1CC1)C1CCN(C(=O)c2cccn3ccnc23)CC1 ZINC001670989219 1193539584 /nfs/dbraw/zinc/53/95/84/1193539584.db2.gz MONMDDBAHRDTKL-UHFFFAOYSA-N 1 2 337.427 2.174 10 30 EEEELO N#CC[N@@H+](CC1CC1)C1CCN(C(=O)c2cccn3ccnc23)CC1 ZINC001670989219 1193539586 /nfs/dbraw/zinc/53/95/86/1193539586.db2.gz MONMDDBAHRDTKL-UHFFFAOYSA-N 1 2 337.427 2.174 10 30 EEEELO C=CCC(C)(C)C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1nncn1C)C2 ZINC001671038522 1193550811 /nfs/dbraw/zinc/55/08/11/1193550811.db2.gz DKTANOFKYNUHRO-LJQANCHMSA-N 1 2 345.491 2.232 10 30 EEEELO C=CCC(C)(C)C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1nncn1C)C2 ZINC001671038522 1193550814 /nfs/dbraw/zinc/55/08/14/1193550814.db2.gz DKTANOFKYNUHRO-LJQANCHMSA-N 1 2 345.491 2.232 10 30 EEEELO CCCc1noc(C[NH2+]CCN(C)C(=O)CC#Cc2ccccc2)n1 ZINC001691614715 1188317047 /nfs/dbraw/zinc/31/70/47/1188317047.db2.gz BWOZCSUGJUHPCO-UHFFFAOYSA-N 1 2 340.427 2.012 10 30 EEEELO C#CCC[N@H+]1CCOC[C@@H]1CNC(=O)Cc1c(C)cccc1Cl ZINC001272868786 1193584244 /nfs/dbraw/zinc/58/42/44/1193584244.db2.gz HPLACDDMZURBOL-HNNXBMFYSA-N 1 2 334.847 2.031 10 30 EEEELO C#CCC[N@@H+]1CCOC[C@@H]1CNC(=O)Cc1c(C)cccc1Cl ZINC001272868786 1193584247 /nfs/dbraw/zinc/58/42/47/1193584247.db2.gz HPLACDDMZURBOL-HNNXBMFYSA-N 1 2 334.847 2.031 10 30 EEEELO CC(C)c1nnc(C[NH2+]C[C@H](C)NC(=O)CC#Cc2ccccc2)o1 ZINC001483296479 1190323335 /nfs/dbraw/zinc/32/33/35/1190323335.db2.gz FJVXKOIYZHFGHF-HNNXBMFYSA-N 1 2 340.427 2.229 10 30 EEEELO CC(C)(C)C#CC(=O)NC[C@@H]1CC[N@@H+]1C[C@@H]1COc2ccccc2O1 ZINC001483648201 1190708442 /nfs/dbraw/zinc/70/84/42/1190708442.db2.gz CVAZLWYXWRBIDT-JKSUJKDBSA-N 1 2 342.439 2.066 10 30 EEEELO CC(C)(C)C#CC(=O)NC[C@@H]1CC[N@H+]1C[C@@H]1COc2ccccc2O1 ZINC001483648201 1190708444 /nfs/dbraw/zinc/70/84/44/1190708444.db2.gz CVAZLWYXWRBIDT-JKSUJKDBSA-N 1 2 342.439 2.066 10 30 EEEELO CCc1ccccc1[C@@H]1C[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1CC#CCOC ZINC001483677564 1190737029 /nfs/dbraw/zinc/73/70/29/1190737029.db2.gz UWSHZACVEXAOQF-YSIASYRMSA-N 1 2 340.467 2.193 10 30 EEEELO CCc1ccccc1[C@@H]1C[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CC#CCOC ZINC001483677564 1190737033 /nfs/dbraw/zinc/73/70/33/1190737033.db2.gz UWSHZACVEXAOQF-YSIASYRMSA-N 1 2 340.467 2.193 10 30 EEEELO C=C(Br)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)OC ZINC001483807642 1191053266 /nfs/dbraw/zinc/05/32/66/1191053266.db2.gz LBGNVUQZPIVIKJ-MCIONIFRSA-N 1 2 345.281 2.385 10 30 EEEELO C=C(Br)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)OC ZINC001483807642 1191053268 /nfs/dbraw/zinc/05/32/68/1191053268.db2.gz LBGNVUQZPIVIKJ-MCIONIFRSA-N 1 2 345.281 2.385 10 30 EEEELO C#CCN(C(=O)CC1CC1)C1CC[NH+]([C@@H](C)c2nc(C)no2)CC1 ZINC001483977794 1191139018 /nfs/dbraw/zinc/13/90/18/1191139018.db2.gz DXVLTGSBVSCSKS-ZDUSSCGKSA-N 1 2 330.432 2.165 10 30 EEEELO C[C@@H](C#N)C(=O)N[C@@H](C[NH2+]Cc1nc(C(C)(C)C)no1)C1CCCC1 ZINC001483995841 1191148494 /nfs/dbraw/zinc/14/84/94/1191148494.db2.gz QIWHUPKWYOOFAH-JSGCOSHPSA-N 1 2 347.463 2.291 10 30 EEEELO C=C(C)[C@@H](CC(=O)NCC1(O)C[NH+](Cc2ccc(C)cc2)C1)OCC ZINC001484275859 1191292043 /nfs/dbraw/zinc/29/20/43/1191292043.db2.gz JPVDJHQXWWLDFU-GOSISDBHSA-N 1 2 346.471 2.029 10 30 EEEELO C=C(C)C[NH+]1CC(O)(CNC(=O)[C@@]2(C)CCCc3ccccc32)C1 ZINC001484300359 1191297294 /nfs/dbraw/zinc/29/72/94/1191297294.db2.gz RRNBOXGOLVOUOD-IBGZPJMESA-N 1 2 328.456 2.020 10 30 EEEELO C#CCCCC(=O)NCc1ccc([C@@H](C)[NH2+]Cc2cnon2)cc1 ZINC001484560299 1191415858 /nfs/dbraw/zinc/41/58/58/1191415858.db2.gz YFGWNFDAFDLDCH-CQSZACIVSA-N 1 2 326.400 2.340 10 30 EEEELO C=CCOCC(=O)NC[C@H]1COCC[N@@H+]1Cc1ccccc1C1CC1 ZINC001484589692 1191431737 /nfs/dbraw/zinc/43/17/37/1191431737.db2.gz ZDOYMONAMHSYNC-SFHVURJKSA-N 1 2 344.455 2.084 10 30 EEEELO C=CCOCC(=O)NC[C@H]1COCC[N@H+]1Cc1ccccc1C1CC1 ZINC001484589692 1191431740 /nfs/dbraw/zinc/43/17/40/1191431740.db2.gz ZDOYMONAMHSYNC-SFHVURJKSA-N 1 2 344.455 2.084 10 30 EEEELO C=C1CCC(C(=O)N2CCC[C@](CO)([NH2+]Cc3coc(C)n3)C2)CC1 ZINC001484846570 1191550358 /nfs/dbraw/zinc/55/03/58/1191550358.db2.gz CNYUZPYXJZNDNW-IBGZPJMESA-N 1 2 347.459 2.173 10 30 EEEELO CCc1cccc(C)c1NC(=O)C[N@H+](C)[C@@H](C)CNC(=O)[C@H](C)C#N ZINC001485285392 1191716958 /nfs/dbraw/zinc/71/69/58/1191716958.db2.gz CRAQSHXANNFEOU-CABCVRRESA-N 1 2 344.459 2.092 10 30 EEEELO CCc1cccc(C)c1NC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)[C@H](C)C#N ZINC001485285392 1191716960 /nfs/dbraw/zinc/71/69/60/1191716960.db2.gz CRAQSHXANNFEOU-CABCVRRESA-N 1 2 344.459 2.092 10 30 EEEELO CC(C)N(C(=O)C[N@H+](C)[C@@H](C)CNC(=O)[C@@H](C)C#N)c1ccccc1 ZINC001485285577 1191717515 /nfs/dbraw/zinc/71/75/15/1191717515.db2.gz FUGROXPBXFJUOW-HOTGVXAUSA-N 1 2 344.459 2.024 10 30 EEEELO CC(C)N(C(=O)C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H](C)C#N)c1ccccc1 ZINC001485285577 1191717517 /nfs/dbraw/zinc/71/75/17/1191717517.db2.gz FUGROXPBXFJUOW-HOTGVXAUSA-N 1 2 344.459 2.024 10 30 EEEELO C#Cc1cccc(NC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)C(C)(C)CC)c1 ZINC001485343944 1191747498 /nfs/dbraw/zinc/74/74/98/1191747498.db2.gz COCJTTROTUBIHL-HNNXBMFYSA-N 1 2 343.471 2.479 10 30 EEEELO C#Cc1cccc(NC(=O)C[N@H+](C)[C@@H](C)CNC(=O)C(C)(C)CC)c1 ZINC001485343944 1191747499 /nfs/dbraw/zinc/74/74/99/1191747499.db2.gz COCJTTROTUBIHL-HNNXBMFYSA-N 1 2 343.471 2.479 10 30 EEEELO Cc1ccc(C)c(C[NH+]2CC(CCO)(NC(=O)C#CC(C)(C)C)C2)c1 ZINC001485405482 1191778285 /nfs/dbraw/zinc/77/82/85/1191778285.db2.gz MVMZNZWLDJRMPM-UHFFFAOYSA-N 1 2 342.483 2.406 10 30 EEEELO C=CCOCCCC(=O)N[C@@H]1CCC[N@H+](Cc2cc(C)on2)[C@@H]1C ZINC001486169399 1193710565 /nfs/dbraw/zinc/71/05/65/1193710565.db2.gz GYKDFDSKCYDXDY-NVXWUHKLSA-N 1 2 335.448 2.435 10 30 EEEELO C=CCOCCCC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(C)on2)[C@@H]1C ZINC001486169399 1193710567 /nfs/dbraw/zinc/71/05/67/1193710567.db2.gz GYKDFDSKCYDXDY-NVXWUHKLSA-N 1 2 335.448 2.435 10 30 EEEELO C=C(Br)C[N@H+](C)C[C@@H](O)CN(C)C(=O)C[C@H](C)CC ZINC001486331619 1193826093 /nfs/dbraw/zinc/82/60/93/1193826093.db2.gz XZPSFYFRAUCXBZ-DGCLKSJQSA-N 1 2 335.286 2.082 10 30 EEEELO C=C(Br)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)C[C@H](C)CC ZINC001486331619 1193826088 /nfs/dbraw/zinc/82/60/88/1193826088.db2.gz XZPSFYFRAUCXBZ-DGCLKSJQSA-N 1 2 335.286 2.082 10 30 EEEELO CC(=O)[C@@](C#N)(CC[N@@H+](C)[C@@H]1CCCCN(C)C1=O)c1ccccc1 ZINC000872267055 1198120410 /nfs/dbraw/zinc/12/04/10/1198120410.db2.gz QSSVDSDWSFUAMX-QUCCMNQESA-N 1 2 341.455 2.370 10 30 EEEELO CC(=O)[C@@](C#N)(CC[N@H+](C)[C@@H]1CCCCN(C)C1=O)c1ccccc1 ZINC000872267055 1198120413 /nfs/dbraw/zinc/12/04/13/1198120413.db2.gz QSSVDSDWSFUAMX-QUCCMNQESA-N 1 2 341.455 2.370 10 30 EEEELO C=CC[C@@H](C)NC(=O)NC[C@H]1C[N@H+](Cc2cccc(C)c2)CCO1 ZINC000868268907 1201779447 /nfs/dbraw/zinc/77/94/47/1201779447.db2.gz RZKOUBPSMABAEV-AEFFLSMTSA-N 1 2 331.460 2.460 10 30 EEEELO C=CC[C@@H](C)NC(=O)NC[C@H]1C[N@@H+](Cc2cccc(C)c2)CCO1 ZINC000868268907 1201779450 /nfs/dbraw/zinc/77/94/50/1201779450.db2.gz RZKOUBPSMABAEV-AEFFLSMTSA-N 1 2 331.460 2.460 10 30 EEEELO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC1CCC(c2ccccc2)CC1 ZINC000884075827 1202225588 /nfs/dbraw/zinc/22/55/88/1202225588.db2.gz KTEILUAFMHNAMP-JCYILVPMSA-N 1 2 330.428 2.276 10 30 EEEELO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@@H]1c1ccccc1Cl ZINC000884079140 1202226494 /nfs/dbraw/zinc/22/64/94/1202226494.db2.gz IXAGEMYDTAGPKC-LSDHHAIUSA-N 1 2 336.819 2.450 10 30 EEEELO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCSC[C@@H]1c1ccc(C)cc1 ZINC000884140952 1202241378 /nfs/dbraw/zinc/24/13/78/1202241378.db2.gz KGKBVPYQTGVLSE-JKSUJKDBSA-N 1 2 348.468 2.058 10 30 EEEELO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1C[C@@H](C)C[C@@H]1c1ccccc1F ZINC000884145723 1202241969 /nfs/dbraw/zinc/24/19/69/1202241969.db2.gz QSSXBGPVKKRWFG-VBNZEHGJSA-N 1 2 334.391 2.182 10 30 EEEELO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC(C)(C)c1ccc(CC)cc1 ZINC000884152008 1202243351 /nfs/dbraw/zinc/24/33/51/1202243351.db2.gz AIJMFZUWMMLGDD-INIZCTEOSA-N 1 2 332.444 2.089 10 30 EEEELO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1cccc(CC(F)(F)F)c1 ZINC000884152131 1202243473 /nfs/dbraw/zinc/24/34/73/1202243473.db2.gz CPANUTKAUDSRSF-LBPRGKRZSA-N 1 2 330.306 2.177 10 30 EEEELO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC(c2ccc(CC)cc2)CC1 ZINC000884442718 1202318278 /nfs/dbraw/zinc/31/82/78/1202318278.db2.gz OFTZXSCTMVSJJY-SFHVURJKSA-N 1 2 344.455 2.402 10 30 EEEELO N#Cc1ccc(C[NH2+]C/C=C\CNC(=O)C(F)C(F)(F)F)s1 ZINC001274048033 1204344995 /nfs/dbraw/zinc/34/49/95/1204344995.db2.gz HSYAVYRDJAFFAR-BVBSBALXSA-N 1 2 335.326 2.282 10 30 EEEELO N#Cc1ccc(C[NH2+]C/C=C\CNC(=O)[C@H](F)C(F)(F)F)s1 ZINC001274048033 1204344998 /nfs/dbraw/zinc/34/49/98/1204344998.db2.gz HSYAVYRDJAFFAR-BVBSBALXSA-N 1 2 335.326 2.282 10 30 EEEELO Cn1cc(C2=NC[C@H](C[N@@H+]3CCC[C@@H]3[C@@H](C#N)c3ccccc3)O2)cn1 ZINC000929757518 1206498784 /nfs/dbraw/zinc/49/87/84/1206498784.db2.gz RXIPRQBMPQUZCA-CEXWTWQISA-N 1 2 349.438 2.337 10 30 EEEELO Cn1cc(C2=NC[C@H](C[N@H+]3CCC[C@@H]3[C@@H](C#N)c3ccccc3)O2)cn1 ZINC000929757518 1206498786 /nfs/dbraw/zinc/49/87/86/1206498786.db2.gz RXIPRQBMPQUZCA-CEXWTWQISA-N 1 2 349.438 2.337 10 30 EEEELO CCOC(=O)[C@H](CCc1ccccc1)[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000930826793 1206586160 /nfs/dbraw/zinc/58/61/60/1206586160.db2.gz 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CCC1(CC)CNC(=O)[C@@H]1[NH2+]Cc1nnc(-c2cccc(C#N)c2)o1 ZINC001413072803 1231671124 /nfs/dbraw/zinc/67/11/24/1231671124.db2.gz XIIALMRWDDBTMK-HNNXBMFYSA-N 1 2 339.399 2.003 10 30 EEEELO C=CCN(Cc1ccc(OC)cc1)C(=O)/C=C(\C)C[NH+]1CCOCC1 ZINC000900293948 1234170023 /nfs/dbraw/zinc/17/00/23/1234170023.db2.gz ACLWIRFTZAZJQY-SAPNQHFASA-N 1 2 344.455 2.488 10 30 EEEELO CCc1nnc(C[N@@H+]2CC[C@@H]3[C@@H](CCCN3C(=O)C#CC(C)C)C2)o1 ZINC001490985623 1258544929 /nfs/dbraw/zinc/54/49/29/1258544929.db2.gz NLNFCZQSKJHDKT-JKSUJKDBSA-N 1 2 344.459 2.104 10 30 EEEELO CCc1nnc(C[N@H+]2CC[C@@H]3[C@@H](CCCN3C(=O)C#CC(C)C)C2)o1 ZINC001490985623 1258544934 /nfs/dbraw/zinc/54/49/34/1258544934.db2.gz NLNFCZQSKJHDKT-JKSUJKDBSA-N 1 2 344.459 2.104 10 30 EEEELO CC(C)Cc1nc(C[NH2+][C@H]2C[C@@H](NC(=O)C#CC(C)(C)C)C2)no1 ZINC001491017120 1258574234 /nfs/dbraw/zinc/57/42/34/1258574234.db2.gz CWZWKJRVUQFKMC-OKILXGFUSA-N 1 2 332.448 2.054 10 30 EEEELO C=C(C)[C@H](CC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1nccn1C)OCC ZINC001491215940 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C#CCO[C@@H](C)C(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)n1 ZINC001491211835 1258786063 /nfs/dbraw/zinc/78/60/63/1258786063.db2.gz DTPHYZMKDCTRSR-HOCLYGCPSA-N 1 2 349.862 2.244 10 30 EEEELO C#CCN1CCCC[C@@H]1CNC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001491229589 1258817323 /nfs/dbraw/zinc/81/73/23/1258817323.db2.gz IRNAUXFNRNBPOH-RTBURBONSA-N 1 2 327.472 2.283 10 30 EEEELO C#CCN1CCCC[C@@H]1CNC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001491229589 1258817330 /nfs/dbraw/zinc/81/73/30/1258817330.db2.gz IRNAUXFNRNBPOH-RTBURBONSA-N 1 2 327.472 2.283 10 30 EEEELO C#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H](c1ccccc1)N(C)CC ZINC001491229589 1258817337 /nfs/dbraw/zinc/81/73/37/1258817337.db2.gz IRNAUXFNRNBPOH-RTBURBONSA-N 1 2 327.472 2.283 10 30 EEEELO C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](c1ccccc1)N(C)CC ZINC001491229589 1258817342 /nfs/dbraw/zinc/81/73/42/1258817342.db2.gz IRNAUXFNRNBPOH-RTBURBONSA-N 1 2 327.472 2.283 10 30 EEEELO CC(C)C#CC(=O)N(C)CCC[N@H+](C)Cc1nc(C2CCC2)no1 ZINC001273508006 1278747780 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C[N@@H+](CCCNC(=O)c1[nH]nc2c1CCC2)Cc1ccc(C#N)s1 ZINC001490216803 1291090964 /nfs/dbraw/zinc/09/09/64/1291090964.db2.gz XCORYBYVUPGNAE-UHFFFAOYSA-N 1 2 343.456 2.083 10 30 EEEELO NC(=[NH+]OC[C@@H]1COCCO1)c1ccc(OCc2ccccc2)cc1 ZINC000853658212 1292433984 /nfs/dbraw/zinc/43/39/84/1292433984.db2.gz JBVANRXZHMDEGK-SFHVURJKSA-N 1 2 342.395 2.318 10 30 EEEELO CCCC[C@H](ON=C(C)C)C(=O)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000854727896 1292930692 /nfs/dbraw/zinc/93/06/92/1292930692.db2.gz NWKXRJHXMRDSCA-IRXDYDNUSA-N 1 2 339.480 2.281 10 30 EEEELO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C(C)(C)c1ccc(C#N)cc1 ZINC000861396863 1295388485 /nfs/dbraw/zinc/38/84/85/1295388485.db2.gz BQAQXEHCGFUEHG-HNNXBMFYSA-N 1 2 329.444 2.015 10 30 EEEELO C=C1CCC(C(=O)NC[C@@H](C)CNC(=O)CCCn2cc[nH+]c2)CC1 ZINC001746622837 1297472872 /nfs/dbraw/zinc/47/28/72/1297472872.db2.gz CJLFDMHRXUGMSW-INIZCTEOSA-N 1 2 346.475 2.278 10 30 EEEELO COCC#CC[N@@H+]1CC[C@H]1CNC(=O)Cc1ccc(C(C)(C)C)cc1 ZINC001276932675 1300343756 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C=CC(C)(C)CC(=O)N1CC[C@@H](N(C)C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001293665526 1328774934 /nfs/dbraw/zinc/77/49/34/1328774934.db2.gz FLJBIUYCTFKTSM-JKSUJKDBSA-N 1 2 346.475 2.496 10 30 EEEELO C=C(C)CCC(=O)N(C)[C@@H]1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001293667468 1328776621 /nfs/dbraw/zinc/77/66/21/1328776621.db2.gz XBYSCKJOSWSXOR-GOEBONIOSA-N 1 2 332.448 2.004 10 30 EEEELO C=C(C)CCC(=O)N(C)[C@@H]1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001293667468 1328776627 /nfs/dbraw/zinc/77/66/27/1328776627.db2.gz XBYSCKJOSWSXOR-GOEBONIOSA-N 1 2 332.448 2.004 10 30 EEEELO C=CCC1(C(=O)N[C@@H](C)C2C[NH+](CC(=O)NCCC)C2)CCCC1 ZINC001276469633 1322159786 /nfs/dbraw/zinc/15/97/86/1322159786.db2.gz WUIDKPORQPGMKN-HNNXBMFYSA-N 1 2 335.492 2.086 10 30 EEEELO C=CC1CCN(c2nnc(C[NH+]3CCCC3)n2C[C@H]2CCCO2)CC1 ZINC001263431700 1322478896 /nfs/dbraw/zinc/47/88/96/1322478896.db2.gz MMTFYIVLKWWNFN-QGZVFWFLSA-N 1 2 345.491 2.455 10 30 EEEELO C=C(C)C(C)(C)C(=O)N(C)C[C@@H]1CC[N@H+]1CC(=O)N[C@H](C)CCC ZINC001263804409 1322517530 /nfs/dbraw/zinc/51/75/30/1322517530.db2.gz BZZQYENJCIRETO-CVEARBPZSA-N 1 2 337.508 2.426 10 30 EEEELO C=C(C)C(C)(C)C(=O)N(C)C[C@@H]1CC[N@@H+]1CC(=O)N[C@H](C)CCC ZINC001263804409 1322517531 /nfs/dbraw/zinc/51/75/31/1322517531.db2.gz BZZQYENJCIRETO-CVEARBPZSA-N 1 2 337.508 2.426 10 30 EEEELO CC#CCCCC(=O)N(C)C[C@@H]1CC[N@@H+]1CC(=O)N1CCCC[C@H]1C ZINC001263807249 1322519086 /nfs/dbraw/zinc/51/90/86/1322519086.db2.gz IZBBLVIIKTVIPH-MSOLQXFVSA-N 1 2 347.503 2.114 10 30 EEEELO CC#CCCCC(=O)N(C)C[C@@H]1CC[N@H+]1CC(=O)N1CCCC[C@H]1C ZINC001263807249 1322519091 /nfs/dbraw/zinc/51/90/91/1322519091.db2.gz IZBBLVIIKTVIPH-MSOLQXFVSA-N 1 2 347.503 2.114 10 30 EEEELO C=C1CC(C)(C(=O)N(C)C[C@H]2CC[N@H+]2Cc2cc(OC)ccn2)C1 ZINC001263812428 1322522112 /nfs/dbraw/zinc/52/21/12/1322522112.db2.gz NGDJEMUWUHCQPZ-MRXNPFEDSA-N 1 2 329.444 2.479 10 30 EEEELO C=C1CC(C)(C(=O)N(C)C[C@H]2CC[N@@H+]2Cc2cc(OC)ccn2)C1 ZINC001263812428 1322522116 /nfs/dbraw/zinc/52/21/16/1322522116.db2.gz NGDJEMUWUHCQPZ-MRXNPFEDSA-N 1 2 329.444 2.479 10 30 EEEELO COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C)Cc1ccc(F)cc1 ZINC001263822739 1322527811 /nfs/dbraw/zinc/52/78/11/1322527811.db2.gz AXZGPJHHOPAXCV-QFBILLFUSA-N 1 2 346.446 2.187 10 30 EEEELO COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C)Cc1ccc(F)cc1 ZINC001263822739 1322527813 /nfs/dbraw/zinc/52/78/13/1322527813.db2.gz AXZGPJHHOPAXCV-QFBILLFUSA-N 1 2 346.446 2.187 10 30 EEEELO C#CCCCCC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1nnc(C)o1 ZINC001263986887 1322578007 /nfs/dbraw/zinc/57/80/07/1322578007.db2.gz WHEWKBBTHOYGSG-ZBFHGGJFSA-N 1 2 332.448 2.288 10 30 EEEELO CC#CC[NH2+]Cc1nc2c(s1)CCN(C(=O)c1occc1C)C2 ZINC001264188537 1322655757 /nfs/dbraw/zinc/65/57/57/1322655757.db2.gz MIDYORCCQHJZMT-UHFFFAOYSA-N 1 2 329.425 2.356 10 30 EEEELO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)C1CC1 ZINC001264368193 1322675558 /nfs/dbraw/zinc/67/55/58/1322675558.db2.gz ALRLNLYAIKHAIC-KRWDZBQOSA-N 1 2 349.519 2.380 10 30 EEEELO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)C1CC1 ZINC001264368193 1322675564 /nfs/dbraw/zinc/67/55/64/1322675564.db2.gz ALRLNLYAIKHAIC-KRWDZBQOSA-N 1 2 349.519 2.380 10 30 EEEELO C=CCNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc(C(C)C)cc1 ZINC001264378798 1322682256 /nfs/dbraw/zinc/68/22/56/1322682256.db2.gz RETGETCYFRRRDT-SFHVURJKSA-N 1 2 343.471 2.259 10 30 EEEELO C=CCNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc(C(C)C)cc1 ZINC001264378798 1322682262 /nfs/dbraw/zinc/68/22/62/1322682262.db2.gz RETGETCYFRRRDT-SFHVURJKSA-N 1 2 343.471 2.259 10 30 EEEELO COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc(OC(C)C)cc1 ZINC001264378996 1322683231 /nfs/dbraw/zinc/68/32/31/1322683231.db2.gz WLXJIJCXSAQVRR-SFHVURJKSA-N 1 2 344.455 2.270 10 30 EEEELO COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc(OC(C)C)cc1 ZINC001264378996 1322683237 /nfs/dbraw/zinc/68/32/37/1322683237.db2.gz WLXJIJCXSAQVRR-SFHVURJKSA-N 1 2 344.455 2.270 10 30 EEEELO C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@@H](NC(=O)c2occc2C)C1 ZINC001265202992 1322982113 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C=CCOCC(=O)N1CCC[C@@H]1C[N@@H+](C)CC(=C)Br ZINC001281915618 1325508612 /nfs/dbraw/zinc/50/86/12/1325508612.db2.gz CZDPQRIRLZNRTJ-CYBMUJFWSA-N 1 2 331.254 2.020 10 30 EEEELO C=CCOCC(=O)N1CCC[C@@H]1C[N@H+](C)CC(=C)Br ZINC001281915618 1325508614 /nfs/dbraw/zinc/50/86/14/1325508614.db2.gz CZDPQRIRLZNRTJ-CYBMUJFWSA-N 1 2 331.254 2.020 10 30 EEEELO C=C[C@@](C)(CC)C(=O)N[C@@H]1CC[C@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001282143012 1325632271 /nfs/dbraw/zinc/63/22/71/1325632271.db2.gz XPDRFFOQVFDPQJ-FCEWJHQRSA-N 1 2 346.475 2.277 10 30 EEEELO C#Cc1ccc(C(=O)NC[C@@H](C)[N@H+](C)Cc2ccncc2Cl)nc1 ZINC001282476960 1325729394 /nfs/dbraw/zinc/72/93/94/1325729394.db2.gz DNJABFRDIQDLCP-CYBMUJFWSA-N 1 2 342.830 2.362 10 30 EEEELO C#Cc1ccc(C(=O)NC[C@@H](C)[N@@H+](C)Cc2ccncc2Cl)nc1 ZINC001282476960 1325729395 /nfs/dbraw/zinc/72/93/95/1325729395.db2.gz DNJABFRDIQDLCP-CYBMUJFWSA-N 1 2 342.830 2.362 10 30 EEEELO CC(C)(C)C#CC(=O)NC[C@@H]1CCCCC[N@@H+]1Cc1cnns1 ZINC001282668198 1325761445 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349.475 2.405 10 30 EEEELO C=C1CC(C)(C(=O)N(C)C[C@@H](O)C[N@H+](C)Cc2ncoc2C(C)C)C1 ZINC001677169413 1357289803 /nfs/dbraw/zinc/28/98/03/1357289803.db2.gz SGXCNMZDQMAJKW-HNNXBMFYSA-N 1 2 349.475 2.405 10 30 EEEELO O=C(/C=C/c1ccc(F)cc1)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC001583989902 1348716212 /nfs/dbraw/zinc/71/62/12/1348716212.db2.gz SWZSDAVHTOMNPM-ZZXKWVIFSA-N 1 2 327.359 2.468 10 30 EEEELO C=CCC(C)(C)C(=O)NC[C@H](C)N(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001678166019 1357476329 /nfs/dbraw/zinc/47/63/29/1357476329.db2.gz BQRBNLWWXMSKQK-LSDHHAIUSA-N 1 2 346.475 2.011 10 30 EEEELO C=CCCCC(=O)N(C)C[C@@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001685420268 1358322162 /nfs/dbraw/zinc/32/21/62/1358322162.db2.gz GYTNVPAIIGIPRY-INIZCTEOSA-N 1 2 346.475 2.456 10 30 EEEELO C=CCC1(C(=O)N(C)C[C@@H]2CC[N@@H+]2[C@H]2CCCNC2=O)CCCCC1 ZINC001656109972 1354203170 /nfs/dbraw/zinc/20/31/70/1354203170.db2.gz VZHAHCOTIHWMPJ-IRXDYDNUSA-N 1 2 347.503 2.324 10 30 EEEELO C=CCC1(C(=O)N(C)C[C@@H]2CC[N@H+]2[C@H]2CCCNC2=O)CCCCC1 ZINC001656109972 1354203174 /nfs/dbraw/zinc/20/31/74/1354203174.db2.gz VZHAHCOTIHWMPJ-IRXDYDNUSA-N 1 2 347.503 2.324 10 30 EEEELO C=CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@]2(C)CCC(C)=C(C)C2)C1 ZINC001660859687 1354552218 /nfs/dbraw/zinc/55/22/18/1354552218.db2.gz VOIZTOBTOYCVCT-YLJYHZDGSA-N 1 2 347.503 2.396 10 30 EEEELO C=CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@]2(C)CCC(C)=C(C)C2)C1 ZINC001660859687 1354552221 /nfs/dbraw/zinc/55/22/21/1354552221.db2.gz VOIZTOBTOYCVCT-YLJYHZDGSA-N 1 2 347.503 2.396 10 30 EEEELO C=CCC1(C(=O)N[C@@H]2CC[N@@H+](Cc3cnnn3C)C2)CCCCC1 ZINC001661046090 1354579448 /nfs/dbraw/zinc/57/94/48/1354579448.db2.gz ZWLJSBPQPWLVRT-OAHLLOKOSA-N 1 2 331.464 2.032 10 30 EEEELO C=CCC1(C(=O)N[C@@H]2CC[N@H+](Cc3cnnn3C)C2)CCCCC1 ZINC001661046090 1354579452 /nfs/dbraw/zinc/57/94/52/1354579452.db2.gz ZWLJSBPQPWLVRT-OAHLLOKOSA-N 1 2 331.464 2.032 10 30 EEEELO C=C[C@](C)(O)CC(=O)NC[C@H]([NH2+]Cc1cnc(C)o1)c1ccccc1 ZINC001664578464 1355195769 /nfs/dbraw/zinc/19/57/69/1355195769.db2.gz OCXWIBLOIBNKLE-HKUYNNGSSA-N 1 2 343.427 2.257 10 30 EEEELO C=C1CCC(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)NCCCC)CC1 ZINC001664633641 1355201810 /nfs/dbraw/zinc/20/18/10/1355201810.db2.gz BLLSLPBCKNHJOG-HDICACEKSA-N 1 2 347.503 2.324 10 30 EEEELO C=C1CCC(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)NCCCC)CC1 ZINC001664633641 1355201813 /nfs/dbraw/zinc/20/18/13/1355201813.db2.gz BLLSLPBCKNHJOG-HDICACEKSA-N 1 2 347.503 2.324 10 30 EEEELO CC#CCN1CC[NH+](CCN(C)C(=O)C2(C3CCCCC3)CC2)CC1 ZINC001664785705 1355228167 /nfs/dbraw/zinc/22/81/67/1355228167.db2.gz FAPRICQGQAMIAT-UHFFFAOYSA-N 1 2 345.531 2.446 10 30 EEEELO CCCCO[C@@H](C)C(=O)NCC1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001665258851 1355284105 /nfs/dbraw/zinc/28/41/05/1355284105.db2.gz XYQOUEOPLDZBFR-AWEZNQCLSA-N 1 2 347.434 2.451 10 30 EEEELO C=C1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3[C@H](CCCC)C(N)=O)CC1 ZINC001665413068 1355303841 /nfs/dbraw/zinc/30/38/41/1355303841.db2.gz LTZWJLVLCILGTC-YESZJQIVSA-N 1 2 333.476 2.062 10 30 EEEELO C=C1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3[C@H](CCCC)C(N)=O)CC1 ZINC001665413068 1355303844 /nfs/dbraw/zinc/30/38/44/1355303844.db2.gz LTZWJLVLCILGTC-YESZJQIVSA-N 1 2 333.476 2.062 10 30 EEEELO C=CCC1(C(=O)N[C@H]2CC[N@@H+](Cc3ccnc(OC)n3)C2)CCCC1 ZINC001665516706 1355320452 /nfs/dbraw/zinc/32/04/52/1355320452.db2.gz RVHSRQBLCUGGII-INIZCTEOSA-N 1 2 344.459 2.312 10 30 EEEELO C=CCC1(C(=O)N[C@H]2CC[N@H+](Cc3ccnc(OC)n3)C2)CCCC1 ZINC001665516706 1355320457 /nfs/dbraw/zinc/32/04/57/1355320457.db2.gz RVHSRQBLCUGGII-INIZCTEOSA-N 1 2 344.459 2.312 10 30 EEEELO C=C1CCC(C(=O)NC[C@H]2C[N@H+](CCOCCCC)CCO2)CC1 ZINC001666720471 1355576496 /nfs/dbraw/zinc/57/64/96/1355576496.db2.gz SCUQEEYDNJNJKP-SFHVURJKSA-N 1 2 338.492 2.367 10 30 EEEELO C=C1CCC(C(=O)NC[C@H]2C[N@@H+](CCOCCCC)CCO2)CC1 ZINC001666720471 1355576502 /nfs/dbraw/zinc/57/65/02/1355576502.db2.gz SCUQEEYDNJNJKP-SFHVURJKSA-N 1 2 338.492 2.367 10 30 EEEELO C=C[C@](C)(O)CC(=O)N1CCC2(C[NH+](Cc3nc(C)oc3C)C2)CC1 ZINC001666821277 1355596583 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C=C[C@@](C)(CC)C(=O)N(C)[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001688242191 1358868026 /nfs/dbraw/zinc/86/80/26/1358868026.db2.gz CZYOCEJBJHWUSB-KDOFPFPSSA-N 1 2 332.448 2.004 10 30 EEEELO C=CCCC(=O)N[C@H](C)CCNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001688267449 1358880855 /nfs/dbraw/zinc/88/08/55/1358880855.db2.gz NPJIHPLZPSONDZ-OAHLLOKOSA-N 1 2 340.427 2.463 10 30 EEEELO C=CCC1(C(=O)N2CCC[C@@H]2CNC(=O)Cc2[nH]cc[nH+]2)CCCC1 ZINC001688452269 1358969344 /nfs/dbraw/zinc/96/93/44/1358969344.db2.gz YOKVNFKHUYOLOU-OAHLLOKOSA-N 1 2 344.459 2.196 10 30 EEEELO CC(C)(C#N)CS(=O)(=O)NCCn1c[nH+]cc1-c1ccccc1 ZINC000918844320 769428632 /nfs/dbraw/zinc/42/86/32/769428632.db2.gz CUWIMUCKHLSNKU-UHFFFAOYSA-N 1 2 332.429 2.019 10 30 EEEELO C=C1CCC(C(=O)N[C@@H]2CC[N@@H+](Cc3cn(C)nn3)CC2(C)C)CC1 ZINC000941000136 779647351 /nfs/dbraw/zinc/64/73/51/779647351.db2.gz OEDLIKMKANKWHC-QGZVFWFLSA-N 1 2 345.491 2.278 10 30 EEEELO C=C1CCC(C(=O)N[C@@H]2CC[N@H+](Cc3cn(C)nn3)CC2(C)C)CC1 ZINC000941000136 779647354 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C=C(C)[C@@H](CC(=O)N[C@H]1CC[N@H+](Cc2coc(C)n2)[C@@H]1C)OCC ZINC001566090111 1125555751 /nfs/dbraw/zinc/55/57/51/1125555751.db2.gz APILOGHCJMSZTG-XOKHGSTOSA-N 1 2 335.448 2.433 10 30 EEEELO C=C(C)[C@@H](CC(=O)N[C@H]1CC[N@@H+](Cc2coc(C)n2)[C@@H]1C)OCC ZINC001566090111 1125555754 /nfs/dbraw/zinc/55/57/54/1125555754.db2.gz APILOGHCJMSZTG-XOKHGSTOSA-N 1 2 335.448 2.433 10 30 EEEELO Cc1c(C(=O)NCC[N@H+](C)Cc2cc(C#N)ccc2F)ccn1C ZINC001437514003 1089919504 /nfs/dbraw/zinc/91/95/04/1089919504.db2.gz DYSVYZINYLUJHB-UHFFFAOYSA-N 1 2 328.391 2.206 10 30 EEEELO Cc1c(C(=O)NCC[N@@H+](C)Cc2cc(C#N)ccc2F)ccn1C ZINC001437514003 1089919526 /nfs/dbraw/zinc/91/95/26/1089919526.db2.gz DYSVYZINYLUJHB-UHFFFAOYSA-N 1 2 328.391 2.206 10 30 EEEELO C=C(Br)C[N@H+]1CC[C@H](N(CCC)C(=O)[C@@H]2CCOC2)C1 ZINC001437889724 1090467991 /nfs/dbraw/zinc/46/79/91/1090467991.db2.gz ZODUZJWZSXZIEU-KGLIPLIRSA-N 1 2 345.281 2.244 10 30 EEEELO C=C(Br)C[N@@H+]1CC[C@H](N(CCC)C(=O)[C@@H]2CCOC2)C1 ZINC001437889724 1090467993 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1094566722 /nfs/dbraw/zinc/56/67/22/1094566722.db2.gz STQDNBHPERXRGM-RKDXNWHRSA-N 1 2 347.150 2.280 10 30 EEEELO C=C(Br)C[NH2+][C@H](CNC(=O)[C@@H](F)C(F)(F)F)C1CC1 ZINC001441205013 1094566726 /nfs/dbraw/zinc/56/67/26/1094566726.db2.gz STQDNBHPERXRGM-RKDXNWHRSA-N 1 2 347.150 2.280 10 30 EEEELO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)[C@H](C)Cn2ccc(C)n2)C(C)(C)C1 ZINC001441249863 1094642451 /nfs/dbraw/zinc/64/24/51/1094642451.db2.gz SDZSQXNVPMKUNR-IUODEOHRSA-N 1 2 338.883 2.407 10 30 EEEELO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)[C@H](C)Cn2ccc(C)n2)C(C)(C)C1 ZINC001441249863 1094642456 /nfs/dbraw/zinc/64/24/56/1094642456.db2.gz SDZSQXNVPMKUNR-IUODEOHRSA-N 1 2 338.883 2.407 10 30 EEEELO C=C(Cl)C[N@H+]1C[C@H](NC(=O)[C@](C)(NC(C)=O)C(C)C)C(C)(C)C1 ZINC001441278251 1094695841 /nfs/dbraw/zinc/69/58/41/1094695841.db2.gz SFVMSPKUZRJGAX-WMLDXEAASA-N 1 2 343.899 2.116 10 30 EEEELO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)[C@](C)(NC(C)=O)C(C)C)C(C)(C)C1 ZINC001441278251 1094695842 /nfs/dbraw/zinc/69/58/42/1094695842.db2.gz 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C=C(Cl)C[N@@H+](CCNC(=O)[C@@H]1CC(=O)Nc2ccccc21)C1CC1 ZINC001443034443 1097443474 /nfs/dbraw/zinc/44/34/74/1097443474.db2.gz QJXYCWDBKVNSET-OAHLLOKOSA-N 1 2 347.846 2.446 10 30 EEEELO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C)COC)[C@H]1CC ZINC001479631254 1098658477 /nfs/dbraw/zinc/65/84/77/1098658477.db2.gz JNVNDRFARRLPCR-WCFLWFBJSA-N 1 2 333.270 2.147 10 30 EEEELO C=CCCCC(=O)N1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2[N@H+](Cc2nnc(C)[nH]2)C1 ZINC001479617521 1098642749 /nfs/dbraw/zinc/64/27/49/1098642749.db2.gz MPTIXQQHMCCULR-QAETUUGQSA-N 1 2 343.475 2.138 10 30 EEEELO C=CCCCC(=O)N1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2[N@@H+](Cc2nnc(C)[nH]2)C1 ZINC001479617521 1098642762 /nfs/dbraw/zinc/64/27/62/1098642762.db2.gz MPTIXQQHMCCULR-QAETUUGQSA-N 1 2 343.475 2.138 10 30 EEEELO C=C(Br)C[N@H+]1CC[C@H](NC(=O)[C@@H](C)COC)[C@H]1CC ZINC001479631254 1098658473 /nfs/dbraw/zinc/65/84/73/1098658473.db2.gz JNVNDRFARRLPCR-WCFLWFBJSA-N 1 2 333.270 2.147 10 30 EEEELO C=CCCC(=O)N1CCC[C@H]([N@@H+](CCO)Cc2ncc(C)s2)C1 ZINC001479652987 1098685992 /nfs/dbraw/zinc/68/59/92/1098685992.db2.gz YVGVKWQIJGPDOG-HNNXBMFYSA-N 1 2 337.489 2.203 10 30 EEEELO C=CCCC(=O)N1CCC[C@H]([N@H+](CCO)Cc2ncc(C)s2)C1 ZINC001479652987 1098685995 /nfs/dbraw/zinc/68/59/95/1098685995.db2.gz YVGVKWQIJGPDOG-HNNXBMFYSA-N 1 2 337.489 2.203 10 30 EEEELO C=C(Br)C[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCOC1 ZINC001479733301 1098836875 /nfs/dbraw/zinc/83/68/75/1098836875.db2.gz NBJPNCAPIKQACO-KBPBESRZSA-N 1 2 345.281 2.244 10 30 EEEELO C=C(Br)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCOC1 ZINC001479733301 1098836884 /nfs/dbraw/zinc/83/68/84/1098836884.db2.gz NBJPNCAPIKQACO-KBPBESRZSA-N 1 2 345.281 2.244 10 30 EEEELO CCC[C@H](CC1CCCC1)C(=O)NCC[NH+]1CCN(CC#N)CC1 ZINC001479939178 1099358755 /nfs/dbraw/zinc/35/87/55/1099358755.db2.gz XROLJLXLERQERE-GOSISDBHSA-N 1 2 334.508 2.240 10 30 EEEELO CCO[C@H](C)C(=O)N[C@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC001479946068 1099371258 /nfs/dbraw/zinc/37/12/58/1099371258.db2.gz AVWJXNHEINJRAB-PBHICJAKSA-N 1 2 334.847 2.307 10 30 EEEELO CCO[C@H](C)C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC001479946068 1099371269 /nfs/dbraw/zinc/37/12/69/1099371269.db2.gz AVWJXNHEINJRAB-PBHICJAKSA-N 1 2 334.847 2.307 10 30 EEEELO CCO[C@H](CC)C(=O)N[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001479946818 1099371813 /nfs/dbraw/zinc/37/18/13/1099371813.db2.gz DCSWLQPXCIWESW-QZTJIDSGSA-N 1 2 332.419 2.183 10 30 EEEELO CCO[C@H](CC)C(=O)N[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001479946818 1099371825 /nfs/dbraw/zinc/37/18/25/1099371825.db2.gz DCSWLQPXCIWESW-QZTJIDSGSA-N 1 2 332.419 2.183 10 30 EEEELO C=CC1(CC(=O)N[C@@H]2CC[N@@H+](Cc3cnnn3C)C2)CCCCC1 ZINC001479965854 1099410954 /nfs/dbraw/zinc/41/09/54/1099410954.db2.gz QGQLYTIUVRFGLF-OAHLLOKOSA-N 1 2 331.464 2.032 10 30 EEEELO C=CC1(CC(=O)N[C@@H]2CC[N@H+](Cc3cnnn3C)C2)CCCCC1 ZINC001479965854 1099410958 /nfs/dbraw/zinc/41/09/58/1099410958.db2.gz QGQLYTIUVRFGLF-OAHLLOKOSA-N 1 2 331.464 2.032 10 30 EEEELO CC(C)c1noc([C@@H](C)[NH2+]C[C@H](C)N(C)C(=O)c2c[nH]c(C#N)c2)n1 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340.361 2.308 10 30 EEEELO C=C1CC(C)(C(=O)N(CC)CCNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001496751834 1101402280 /nfs/dbraw/zinc/40/22/80/1101402280.db2.gz SZUDRRWFGIWRSV-OAHLLOKOSA-N 1 2 332.448 2.155 10 30 EEEELO CCN(CC[NH2+]Cc1ncc(C2CC2)o1)C(=O)c1c[nH]c(C#N)c1 ZINC001497377683 1102406533 /nfs/dbraw/zinc/40/65/33/1102406533.db2.gz YAFQRJJMBPCMCE-UHFFFAOYSA-N 1 2 327.388 2.004 10 30 EEEELO C=CCCCC(=O)N(CCC)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001497781907 1103105504 /nfs/dbraw/zinc/10/55/04/1103105504.db2.gz QQTFLYVVUQLVMB-INIZCTEOSA-N 1 2 332.448 2.079 10 30 EEEELO C=C1CC(C)(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(CC)C2CC2)C1 ZINC001493924151 1103124455 /nfs/dbraw/zinc/12/44/55/1103124455.db2.gz UYZSDXDGMIEFLO-CALCHBBNSA-N 1 2 345.487 2.029 10 30 EEEELO C=C1CC(C)(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(CC)C2CC2)C1 ZINC001493924151 1103124467 /nfs/dbraw/zinc/12/44/67/1103124467.db2.gz UYZSDXDGMIEFLO-CALCHBBNSA-N 1 2 345.487 2.029 10 30 EEEELO 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2.081 10 30 EEEELO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)C[N@@H+](C)Cc1noc2c1CCCC2 ZINC001569139142 1125122495 /nfs/dbraw/zinc/12/24/95/1125122495.db2.gz KIZULLJOZGFMSW-UNEWFSDZSA-N 1 2 347.459 2.081 10 30 EEEELO CC1(C)C(=O)NC(=O)N1CC(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000329753788 539782736 /nfs/dbraw/zinc/78/27/36/539782736.db2.gz KHKUAZZPJSBSAU-UHFFFAOYSA-N 1 2 345.403 2.309 10 30 EEEELO Cc1[nH+]c2cc(NC(=O)c3ccc(C#N)n3C)ccc2n1[C@@H](C)CO ZINC000456696341 244330933 /nfs/dbraw/zinc/33/09/33/244330933.db2.gz KGACZYUIOLEGTF-NSHDSACASA-N 1 2 337.383 2.361 10 30 EEEELO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000459350114 245087710 /nfs/dbraw/zinc/08/77/10/245087710.db2.gz OHDZXVFKLRTOPN-QWHCGFSZSA-N 1 2 329.278 2.354 10 30 EEEELO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000459350114 245087711 /nfs/dbraw/zinc/08/77/11/245087711.db2.gz OHDZXVFKLRTOPN-QWHCGFSZSA-N 1 2 329.278 2.354 10 30 EEEELO N#Cc1ccc(C(=O)Nc2cccc(NC(=O)CCn3cc[nH+]c3)c2)[nH]1 ZINC000095433562 218376390 /nfs/dbraw/zinc/37/63/90/218376390.db2.gz UVZHYTBIGFSTPZ-UHFFFAOYSA-N 1 2 348.366 2.364 10 30 EEEELO N#Cc1csc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000356131958 163343738 /nfs/dbraw/zinc/34/37/38/163343738.db2.gz UWKIWJSBQPLBJH-SNVBAGLBSA-N 1 2 330.373 2.004 10 30 EEEELO N#Cc1csc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000356131958 163343739 /nfs/dbraw/zinc/34/37/39/163343739.db2.gz UWKIWJSBQPLBJH-SNVBAGLBSA-N 1 2 330.373 2.004 10 30 EEEELO C#CCOc1ccccc1C[N@@H+]1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000122458814 222092505 /nfs/dbraw/zinc/09/25/05/222092505.db2.gz SMSXCUVWYXNEKN-SFHVURJKSA-N 1 2 325.412 2.105 10 30 EEEELO C#CCOc1ccccc1C[N@H+]1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000122458814 222092507 /nfs/dbraw/zinc/09/25/07/222092507.db2.gz SMSXCUVWYXNEKN-SFHVURJKSA-N 1 2 325.412 2.105 10 30 EEEELO COC(=O)c1cccc(C[N@H+]2CCO[C@@H]3CC[C@@H](OC)C[C@H]32)c1C#N ZINC000534475012 270022939 /nfs/dbraw/zinc/02/29/39/270022939.db2.gz UMPRGCLMFSLFBR-ZTFGCOKTSA-N 1 2 344.411 2.113 10 30 EEEELO COC(=O)c1cccc(C[N@@H+]2CCO[C@@H]3CC[C@@H](OC)C[C@H]32)c1C#N ZINC000534475012 270022940 /nfs/dbraw/zinc/02/29/40/270022940.db2.gz UMPRGCLMFSLFBR-ZTFGCOKTSA-N 1 2 344.411 2.113 10 30 EEEELO Cc1cc(C#N)cnc1C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000516258963 267976883 /nfs/dbraw/zinc/97/68/83/267976883.db2.gz LYWPXQHIYYRSDV-UHFFFAOYSA-N 1 2 325.759 2.493 10 30 EEEELO N#Cc1ccc(C[NH+]2CCN(c3ncccc3F)CC2)c([N+](=O)[O-])c1 ZINC000572726487 319872249 /nfs/dbraw/zinc/87/22/49/319872249.db2.gz YBDMZRJWIQZDRS-UHFFFAOYSA-N 1 2 341.346 2.323 10 30 EEEELO Cn1cnnc1[C@@H]1C[N@H+](Cc2ccccc2C(C)(C)C#N)CCO1 ZINC000328638198 465084884 /nfs/dbraw/zinc/08/48/84/465084884.db2.gz PBLFSYPHJJWPTH-INIZCTEOSA-N 1 2 325.416 2.190 10 30 EEEELO Cn1cnnc1[C@@H]1C[N@@H+](Cc2ccccc2C(C)(C)C#N)CCO1 ZINC000328638198 465084886 /nfs/dbraw/zinc/08/48/86/465084886.db2.gz PBLFSYPHJJWPTH-INIZCTEOSA-N 1 2 325.416 2.190 10 30 EEEELO Cc1cn2c([nH+]1)[C@H](C[NH+]=C([O-])N1CC[C@@H](c3cnn(C)c3)C1)CCC2 ZINC000328659764 465092425 /nfs/dbraw/zinc/09/24/25/465092425.db2.gz UDBBFMUERVLVMV-LSDHHAIUSA-N 1 2 342.447 2.206 10 30 EEEELO C[C@H](NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1)c1ccccc1 ZINC000329052998 465218541 /nfs/dbraw/zinc/21/85/41/465218541.db2.gz AEHLPFUWHOZIGF-DARAHFNDSA-N 1 2 336.457 2.212 10 30 EEEELO C[C@H](NC(=O)[C@H](C)[N@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1)c1ccccc1 ZINC000329052998 465218546 /nfs/dbraw/zinc/21/85/46/465218546.db2.gz AEHLPFUWHOZIGF-DARAHFNDSA-N 1 2 336.457 2.212 10 30 EEEELO C[C@H](C(=O)NCCC1=CCCCC1)[N@@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000329176485 465257535 /nfs/dbraw/zinc/25/75/35/465257535.db2.gz MLMCJHNLJRJRTN-VNQPRFMTSA-N 1 2 340.489 2.341 10 30 EEEELO C[C@H](C(=O)NCCC1=CCCCC1)[N@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000329176485 465257539 /nfs/dbraw/zinc/25/75/39/465257539.db2.gz MLMCJHNLJRJRTN-VNQPRFMTSA-N 1 2 340.489 2.341 10 30 EEEELO CC(C)(C)c1cn2c([nH+]1)CC[C@@H]([NH+]=C([O-])N1CCC(CO)CC1)C2 ZINC000329294506 465291671 /nfs/dbraw/zinc/29/16/71/465291671.db2.gz SBSMDGAWVXMAJC-CQSZACIVSA-N 1 2 334.464 2.114 10 30 EEEELO COc1ccc(C[NH+]2CCN(c3ncccc3C#N)CC2)cc1OC ZINC000045396389 462583494 /nfs/dbraw/zinc/58/34/94/462583494.db2.gz VWZBBQMBRXLWKK-UHFFFAOYSA-N 1 2 338.411 2.293 10 30 EEEELO C=CCNC(=O)C[N@@H+]1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161160469 463405863 /nfs/dbraw/zinc/40/58/63/463405863.db2.gz VCZKXPBQWXKYOG-UONOGXRCSA-N 1 2 328.334 2.115 10 30 EEEELO C=CCNC(=O)C[N@H+]1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161160469 463405868 /nfs/dbraw/zinc/40/58/68/463405868.db2.gz VCZKXPBQWXKYOG-UONOGXRCSA-N 1 2 328.334 2.115 10 30 EEEELO C#CCOc1ccc(C(=O)NC2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000151091005 463476531 /nfs/dbraw/zinc/47/65/31/463476531.db2.gz IIPAPLKCNOFNAP-UHFFFAOYSA-N 1 2 335.407 2.492 10 30 EEEELO N#Cc1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)c(F)c1 ZINC000073433195 463613194 /nfs/dbraw/zinc/61/31/94/463613194.db2.gz DKFVRNGZQCWXPO-SFHVURJKSA-N 1 2 338.386 2.373 10 30 EEEELO N#Cc1ccc(CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)c(F)c1 ZINC000073433195 463613200 /nfs/dbraw/zinc/61/32/00/463613200.db2.gz DKFVRNGZQCWXPO-SFHVURJKSA-N 1 2 338.386 2.373 10 30 EEEELO C[C@@H]1C[N@H+](Cc2ccc(F)cc2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC000170081411 463675522 /nfs/dbraw/zinc/67/55/22/463675522.db2.gz CWJSOPMQEHPDCI-CYBMUJFWSA-N 1 2 326.375 2.372 10 30 EEEELO C[C@@H]1C[N@@H+](Cc2ccc(F)cc2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC000170081411 463675526 /nfs/dbraw/zinc/67/55/26/463675526.db2.gz CWJSOPMQEHPDCI-CYBMUJFWSA-N 1 2 326.375 2.372 10 30 EEEELO C#CC[C@H](Cc1ccccc1)NC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000287482349 463904124 /nfs/dbraw/zinc/90/41/24/463904124.db2.gz QJVRFJMIZCKKQQ-GOSISDBHSA-N 1 2 343.471 2.031 10 30 EEEELO C#CC[C@H](Cc1ccccc1)NC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000287482349 463904130 /nfs/dbraw/zinc/90/41/30/463904130.db2.gz QJVRFJMIZCKKQQ-GOSISDBHSA-N 1 2 343.471 2.031 10 30 EEEELO CC(=O)NC1CN(C([O-])=[NH+][C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)C1 ZINC000329838642 465449014 /nfs/dbraw/zinc/44/90/14/465449014.db2.gz NLNVUKXXNRJELA-GFCCVEGCSA-N 1 2 333.436 2.070 10 30 EEEELO COc1ccc(C[N@@H+]2CCN(C(C)=O)C[C@@H]2C)cc1OCCCC#N ZINC000271191889 464287177 /nfs/dbraw/zinc/28/71/77/464287177.db2.gz PLAKOJFDKVODAF-HNNXBMFYSA-N 1 2 345.443 2.430 10 30 EEEELO COc1ccc(C[N@H+]2CCN(C(C)=O)C[C@@H]2C)cc1OCCCC#N ZINC000271191889 464287183 /nfs/dbraw/zinc/28/71/83/464287183.db2.gz PLAKOJFDKVODAF-HNNXBMFYSA-N 1 2 345.443 2.430 10 30 EEEELO N#Cc1c(C[N@H+]2CCOC[C@@H]2[C@H]2CCC[C@@H]2O)cn2ccccc12 ZINC000284758222 464326271 /nfs/dbraw/zinc/32/62/71/464326271.db2.gz JYTXBCONYHDOCH-LZQZEXGQSA-N 1 2 325.412 2.173 10 30 EEEELO N#Cc1c(C[N@@H+]2CCOC[C@@H]2[C@H]2CCC[C@@H]2O)cn2ccccc12 ZINC000284758222 464326272 /nfs/dbraw/zinc/32/62/72/464326272.db2.gz JYTXBCONYHDOCH-LZQZEXGQSA-N 1 2 325.412 2.173 10 30 EEEELO C=CCOc1cccc(NC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)c1 ZINC000173890746 464327199 /nfs/dbraw/zinc/32/71/99/464327199.db2.gz HAGXQGAXMSNUIM-MRXNPFEDSA-N 1 2 331.416 2.190 10 30 EEEELO C#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@@H](NC(=O)C(F)(F)F)C1 ZINC000245534566 464492563 /nfs/dbraw/zinc/49/25/63/464492563.db2.gz FBSKRNKKOUYCLB-KGLIPLIRSA-N 1 2 328.309 2.295 10 30 EEEELO C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@@H](NC(=O)C(F)(F)F)C1 ZINC000245534566 464492568 /nfs/dbraw/zinc/49/25/68/464492568.db2.gz FBSKRNKKOUYCLB-KGLIPLIRSA-N 1 2 328.309 2.295 10 30 EEEELO C[N@H+](CC(=O)OC(C)(C)C)C1CCN(Cc2ccc(C#N)o2)CC1 ZINC000190584432 464681477 /nfs/dbraw/zinc/68/14/77/464681477.db2.gz UHWDTWHSLWSGLU-UHFFFAOYSA-N 1 2 333.432 2.389 10 30 EEEELO C[N@@H+](CC(=O)OC(C)(C)C)C1CCN(Cc2ccc(C#N)o2)CC1 ZINC000190584432 464681484 /nfs/dbraw/zinc/68/14/84/464681484.db2.gz UHWDTWHSLWSGLU-UHFFFAOYSA-N 1 2 333.432 2.389 10 30 EEEELO C=CC[C@H](CO)NC(=O)NCc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC000183017389 464777472 /nfs/dbraw/zinc/77/74/72/464777472.db2.gz WDXJEYISFLFTSA-MRXNPFEDSA-N 1 2 332.448 2.054 10 30 EEEELO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CC[S@@](=O)C(CC)(CC)C1 ZINC000249019139 464829826 /nfs/dbraw/zinc/82/98/26/464829826.db2.gz QGROQHSOWYHMAS-IVZQSRNASA-N 1 2 326.506 2.199 10 30 EEEELO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CC[S@@](=O)C(CC)(CC)C1 ZINC000249019139 464829831 /nfs/dbraw/zinc/82/98/31/464829831.db2.gz QGROQHSOWYHMAS-IVZQSRNASA-N 1 2 326.506 2.199 10 30 EEEELO C[N@@H+]1CC[C@@H]2CCN(C(=O)N[C@@H]3CCC(=O)N[C@H]3C(C)(C)C)[C@H]2C1 ZINC000329707559 465412845 /nfs/dbraw/zinc/41/28/45/465412845.db2.gz LRTWWCHNJYEHKK-HGTKMLMNSA-N 1 2 336.480 2.460 10 30 EEEELO C[N@H+]1CC[C@@H]2CCN(C(=O)N[C@@H]3CCC(=O)N[C@H]3C(C)(C)C)[C@H]2C1 ZINC000329707559 465412847 /nfs/dbraw/zinc/41/28/47/465412847.db2.gz LRTWWCHNJYEHKK-HGTKMLMNSA-N 1 2 336.480 2.460 10 30 EEEELO C=CCN1CC[C@H]([N@H+](C)Cc2cnc(-c3ccncc3)s2)C1=O ZINC000343596843 465533290 /nfs/dbraw/zinc/53/32/90/465533290.db2.gz BXQZIGOWVCUXCQ-HNNXBMFYSA-N 1 2 328.441 2.424 10 30 EEEELO C=CCN1CC[C@H]([N@@H+](C)Cc2cnc(-c3ccncc3)s2)C1=O ZINC000343596843 465533295 /nfs/dbraw/zinc/53/32/95/465533295.db2.gz BXQZIGOWVCUXCQ-HNNXBMFYSA-N 1 2 328.441 2.424 10 30 EEEELO N#Cc1ccnc(C(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)c1 ZINC000356825076 465558926 /nfs/dbraw/zinc/55/89/26/465558926.db2.gz CDIDZQXQXOSOQP-UHFFFAOYSA-N 1 2 340.814 2.395 10 30 EEEELO N#Cc1ccnc(C(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)c1 ZINC000356825076 465558930 /nfs/dbraw/zinc/55/89/30/465558930.db2.gz CDIDZQXQXOSOQP-UHFFFAOYSA-N 1 2 340.814 2.395 10 30 EEEELO CNC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000330937222 465867240 /nfs/dbraw/zinc/86/72/40/465867240.db2.gz AKGVNMWTHSMNRV-GFCCVEGCSA-N 1 2 337.221 2.028 10 30 EEEELO CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000330937222 465867244 /nfs/dbraw/zinc/86/72/44/465867244.db2.gz AKGVNMWTHSMNRV-GFCCVEGCSA-N 1 2 337.221 2.028 10 30 EEEELO Cc1cc[nH+]cc1N1CCN([C@@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000340515070 466147651 /nfs/dbraw/zinc/14/76/51/466147651.db2.gz MIPCPYPSESWEND-INIZCTEOSA-N 1 2 349.438 2.411 10 30 EEEELO Cc1ccc(C[S@@](=O)CC(=O)NCc2ccc(C#N)cc2)c(C)[nH+]1 ZINC000358141798 466490960 /nfs/dbraw/zinc/49/09/60/466490960.db2.gz XSCIZSHPRJZHPQ-XMMPIXPASA-N 1 2 341.436 2.135 10 30 EEEELO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCOc3c(F)cccc3C2)cc1 ZINC000373827864 466933987 /nfs/dbraw/zinc/93/39/87/466933987.db2.gz BGNGTSNKMROLSC-INIZCTEOSA-N 1 2 342.370 2.332 10 30 EEEELO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCOc3c(F)cccc3C2)cc1 ZINC000373827864 466933988 /nfs/dbraw/zinc/93/39/88/466933988.db2.gz BGNGTSNKMROLSC-INIZCTEOSA-N 1 2 342.370 2.332 10 30 EEEELO C[C@@H]1C[C@]2(CCO1)C[N@H+](Cc1cnc3ccc(C#N)cn13)C[C@H](C)O2 ZINC000373978409 466989146 /nfs/dbraw/zinc/98/91/46/466989146.db2.gz RCMJZHFULCMJND-ZRGWGRIASA-N 1 2 340.427 2.364 10 30 EEEELO C[C@@H]1C[C@]2(CCO1)C[N@@H+](Cc1cnc3ccc(C#N)cn13)C[C@H](C)O2 ZINC000373978409 466989151 /nfs/dbraw/zinc/98/91/51/466989151.db2.gz RCMJZHFULCMJND-ZRGWGRIASA-N 1 2 340.427 2.364 10 30 EEEELO C[C@@H](O)[C@H]1C[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)CCO1 ZINC000414599069 467422580 /nfs/dbraw/zinc/42/25/80/467422580.db2.gz YZAQJCCBDZUOMX-CRAIPNDOSA-N 1 2 340.427 2.045 10 30 EEEELO C[C@@H](O)[C@H]1C[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)CCO1 ZINC000414599069 467422583 /nfs/dbraw/zinc/42/25/83/467422583.db2.gz YZAQJCCBDZUOMX-CRAIPNDOSA-N 1 2 340.427 2.045 10 30 EEEELO N#CCCN(C(=O)C[N@@H+]1CC[C@@]12CCOC2)c1cccc(Cl)c1 ZINC000421022578 467528887 /nfs/dbraw/zinc/52/88/87/467528887.db2.gz AENURMZMXVUQDQ-KRWDZBQOSA-N 1 2 333.819 2.451 10 30 EEEELO N#CCCN(C(=O)C[N@H+]1CC[C@@]12CCOC2)c1cccc(Cl)c1 ZINC000421022578 467528891 /nfs/dbraw/zinc/52/88/91/467528891.db2.gz AENURMZMXVUQDQ-KRWDZBQOSA-N 1 2 333.819 2.451 10 30 EEEELO CCC(=O)N[C@H]1CCC[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000441525488 467572922 /nfs/dbraw/zinc/57/29/22/467572922.db2.gz QVZDJLGUJQPEIV-HNNXBMFYSA-N 1 2 339.399 2.099 10 30 EEEELO CCC(=O)N[C@H]1CCC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000441525488 467572925 /nfs/dbraw/zinc/57/29/25/467572925.db2.gz QVZDJLGUJQPEIV-HNNXBMFYSA-N 1 2 339.399 2.099 10 30 EEEELO N#CC1(C[C@H](O)C[N@@H+]2CCN(Cc3cccc(Cl)c3)C(=O)C2)CC1 ZINC000528405168 467683005 /nfs/dbraw/zinc/68/30/05/467683005.db2.gz QJRHHZQCUYYGGT-INIZCTEOSA-N 1 2 347.846 2.039 10 30 EEEELO N#CC1(C[C@H](O)C[N@H+]2CCN(Cc3cccc(Cl)c3)C(=O)C2)CC1 ZINC000528405168 467683010 /nfs/dbraw/zinc/68/30/10/467683010.db2.gz QJRHHZQCUYYGGT-INIZCTEOSA-N 1 2 347.846 2.039 10 30 EEEELO N#Cc1cccc(CC(=O)NCc2ccccc2C[NH+]2CCOCC2)c1 ZINC000530670424 468001525 /nfs/dbraw/zinc/00/15/25/468001525.db2.gz MEUSLGAQHJLWIG-UHFFFAOYSA-N 1 2 349.434 2.249 10 30 EEEELO Cc1cc(C[NH+]2CCN(Cc3ccc(C#N)cc3[N+](=O)[O-])CC2)on1 ZINC000570048429 468584177 /nfs/dbraw/zinc/58/41/77/468584177.db2.gz URLZXYBFLJMZLJ-UHFFFAOYSA-N 1 2 341.371 2.081 10 30 EEEELO CC(C)[C@@H]1[N@H+](CCS(=O)(=O)c2ccc(C#N)cn2)CC12CC=CC2 ZINC000592446723 468700185 /nfs/dbraw/zinc/70/01/85/468700185.db2.gz RAZZNAFBBVGIRU-KRWDZBQOSA-N 1 2 345.468 2.404 10 30 EEEELO CC(C)[C@@H]1[N@@H+](CCS(=O)(=O)c2ccc(C#N)cn2)CC12CC=CC2 ZINC000592446723 468700189 /nfs/dbraw/zinc/70/01/89/468700189.db2.gz RAZZNAFBBVGIRU-KRWDZBQOSA-N 1 2 345.468 2.404 10 30 EEEELO N#Cc1cc(N2CCC[N@H+](Cc3cscn3)CC2)nc(C2CC2)n1 ZINC000601110634 468744949 /nfs/dbraw/zinc/74/49/49/468744949.db2.gz IOKCXKVGVKOIPP-UHFFFAOYSA-N 1 2 340.456 2.394 10 30 EEEELO N#Cc1cc(N2CCC[N@@H+](Cc3cscn3)CC2)nc(C2CC2)n1 ZINC000601110634 468744954 /nfs/dbraw/zinc/74/49/54/468744954.db2.gz IOKCXKVGVKOIPP-UHFFFAOYSA-N 1 2 340.456 2.394 10 30 EEEELO Cc1nc(N)c(CNC(=O)c2cn(CCCC#N)c3ccccc23)c[nH+]1 ZINC000560501537 468821796 /nfs/dbraw/zinc/82/17/96/468821796.db2.gz HEDQHBULZWEWFE-UHFFFAOYSA-N 1 2 348.410 2.556 10 30 EEEELO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C1(C#N)CC2(CC2)C1 ZINC000601346848 468834079 /nfs/dbraw/zinc/83/40/79/468834079.db2.gz AAZMPJUQACEDCR-UHFFFAOYSA-N 1 2 326.400 2.249 10 30 EEEELO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CC[C@]3(CC3(F)F)C2)c1 ZINC000593117353 468876486 /nfs/dbraw/zinc/87/64/86/468876486.db2.gz MHSRZBJUTXCVHV-AWEZNQCLSA-N 1 2 326.368 2.063 10 30 EEEELO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CC[C@]3(CC3(F)F)C2)c1 ZINC000593117353 468876489 /nfs/dbraw/zinc/87/64/89/468876489.db2.gz MHSRZBJUTXCVHV-AWEZNQCLSA-N 1 2 326.368 2.063 10 30 EEEELO COCC[N@H+](Cc1scnc1C)Cc1cnc2c(C#N)cnn2c1 ZINC000572037975 468877537 /nfs/dbraw/zinc/87/75/37/468877537.db2.gz BNDOJQWKZVYFMU-UHFFFAOYSA-N 1 2 342.428 2.015 10 30 EEEELO COCC[N@@H+](Cc1scnc1C)Cc1cnc2c(C#N)cnn2c1 ZINC000572037975 468877540 /nfs/dbraw/zinc/87/75/40/468877540.db2.gz BNDOJQWKZVYFMU-UHFFFAOYSA-N 1 2 342.428 2.015 10 30 EEEELO CS(=O)(=O)[C@@H]1C[N@H+](Cc2ccc(CC#N)cc2)C[C@H]1C(F)(F)F ZINC000595637742 468934026 /nfs/dbraw/zinc/93/40/26/468934026.db2.gz LXKIKHGWJRVVQD-ZIAGYGMSSA-N 1 2 346.374 2.160 10 30 EEEELO CS(=O)(=O)[C@@H]1C[N@@H+](Cc2ccc(CC#N)cc2)C[C@H]1C(F)(F)F ZINC000595637742 468934029 /nfs/dbraw/zinc/93/40/29/468934029.db2.gz LXKIKHGWJRVVQD-ZIAGYGMSSA-N 1 2 346.374 2.160 10 30 EEEELO C[C@]1(C#N)CC[N@H+](CC(=O)N2CCC(OCc3ccccc3)CC2)C1 ZINC000595840266 469036617 /nfs/dbraw/zinc/03/66/17/469036617.db2.gz MQICZYQTESIRKI-HXUWFJFHSA-N 1 2 341.455 2.430 10 30 EEEELO C[C@]1(C#N)CC[N@@H+](CC(=O)N2CCC(OCc3ccccc3)CC2)C1 ZINC000595840266 469036622 /nfs/dbraw/zinc/03/66/22/469036622.db2.gz MQICZYQTESIRKI-HXUWFJFHSA-N 1 2 341.455 2.430 10 30 EEEELO N#Cc1cccc(-c2cc(C(=O)N[C@@H]3CCc4c[nH+]cn4C3)on2)c1 ZINC000587062766 469084265 /nfs/dbraw/zinc/08/42/65/469084265.db2.gz ZUZPOCYGZPHZSL-CQSZACIVSA-N 1 2 333.351 2.155 10 30 EEEELO CC[N@@H+]1CC[C@H](Nc2cc(C#N)cnn2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000596189973 469193093 /nfs/dbraw/zinc/19/30/93/469193093.db2.gz NDRDXJNQVURXIQ-WMLDXEAASA-N 1 2 347.344 3.013 10 30 EEEELO CC[N@H+]1CC[C@H](Nc2cc(C#N)cnn2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000596189973 469193096 /nfs/dbraw/zinc/19/30/96/469193096.db2.gz NDRDXJNQVURXIQ-WMLDXEAASA-N 1 2 347.344 3.013 10 30 EEEELO Cn1nccc1[C@H]1c2[nH]c[nH+]c2CCN1Cc1ccc(C#N)c(F)c1 ZINC000599443621 469258577 /nfs/dbraw/zinc/25/85/77/469258577.db2.gz CXVAQMVBKFMFFD-SFHVURJKSA-N 1 2 336.374 2.302 10 30 EEEELO CC#CC[NH2+]Cc1cn(Cc2ccc(C(=O)OC(C)(C)C)cc2)nn1 ZINC000603240087 469320156 /nfs/dbraw/zinc/32/01/56/469320156.db2.gz RDFDRRSMTFODOY-UHFFFAOYSA-N 1 2 340.427 2.395 10 30 EEEELO N#Cc1ccc(N2CCC[C@@H]([N@H+]3CCO[C@@H](CCF)C3)C2=O)cc1 ZINC000599644354 469321075 /nfs/dbraw/zinc/32/10/75/469321075.db2.gz YKSWZUYZHCCOQD-DLBZAZTESA-N 1 2 331.391 2.114 10 30 EEEELO N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CCO[C@@H](CCF)C3)C2=O)cc1 ZINC000599644354 469321079 /nfs/dbraw/zinc/32/10/79/469321079.db2.gz YKSWZUYZHCCOQD-DLBZAZTESA-N 1 2 331.391 2.114 10 30 EEEELO N#CCc1cccc2c1CC[N@@H+](CC(=O)NC(=O)Nc1ccccc1)C2 ZINC000599676762 469335174 /nfs/dbraw/zinc/33/51/74/469335174.db2.gz GAGPFSSJKIIOTJ-UHFFFAOYSA-N 1 2 348.406 2.459 10 30 EEEELO N#CCc1cccc2c1CC[N@H+](CC(=O)NC(=O)Nc1ccccc1)C2 ZINC000599676762 469335179 /nfs/dbraw/zinc/33/51/79/469335179.db2.gz GAGPFSSJKIIOTJ-UHFFFAOYSA-N 1 2 348.406 2.459 10 30 EEEELO CC(C)C[C@@H](C#N)NS(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000612735313 469538650 /nfs/dbraw/zinc/53/86/50/469538650.db2.gz FCZVSUZUOWQUBK-HNNXBMFYSA-N 1 2 332.429 2.148 10 30 EEEELO C=C[C@@H](C(=O)OC)N1CC[NH+](Cc2ccc(F)cc2Cl)CC1 ZINC000619716105 469668787 /nfs/dbraw/zinc/66/87/87/469668787.db2.gz QIPLTDPQWKASCO-HNNXBMFYSA-N 1 2 326.799 2.324 10 30 EEEELO Cn1cc[nH+]c1C[C@@H](NC(=O)c1ccc(C#N)nc1)c1ccccc1 ZINC000610304640 470002639 /nfs/dbraw/zinc/00/26/39/470002639.db2.gz QGPNWDCBCMWOAG-QGZVFWFLSA-N 1 2 331.379 2.401 10 30 EEEELO C=C(C)[C@@H](CO)[NH+]1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 ZINC000649223715 470503975 /nfs/dbraw/zinc/50/39/75/470503975.db2.gz PAZFVZFZIUCPES-OAHLLOKOSA-N 1 2 342.361 2.400 10 30 EEEELO C=CCCC(C)(C)CNC(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000637623712 470787480 /nfs/dbraw/zinc/78/74/80/470787480.db2.gz LBARWTGANKIRFV-UHFFFAOYSA-N 1 2 333.480 2.240 10 30 EEEELO C=C(C)[C@H](CO)[NH+]1CCN(C(=O)[C@@H](C)Oc2ccc(C)cc2C)CC1 ZINC000678049944 486558460 /nfs/dbraw/zinc/55/84/60/486558460.db2.gz QXIQVHXBXCMLQN-MSOLQXFVSA-N 1 2 346.471 2.152 10 30 EEEELO CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCCc1cn(C)c[nH+]1 ZINC000459182602 535089956 /nfs/dbraw/zinc/08/99/56/535089956.db2.gz QMKJZJJUVKZBQH-UHFFFAOYSA-N 1 2 325.416 2.454 10 30 EEEELO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1CC[C@H]2C[C@H]21 ZINC000761079789 577676033 /nfs/dbraw/zinc/67/60/33/577676033.db2.gz BWNQQGIXEFXABB-GOEBONIOSA-N 1 2 330.432 2.046 10 30 EEEELO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1CC[C@H]2C[C@H]21 ZINC000761079789 577676034 /nfs/dbraw/zinc/67/60/34/577676034.db2.gz BWNQQGIXEFXABB-GOEBONIOSA-N 1 2 330.432 2.046 10 30 EEEELO CC1=C(C(=O)C=Cc2c[nH+]c3ccc(C#N)cn23)[C@H](C)N2NN=NC2=N1 ZINC000752885165 577777572 /nfs/dbraw/zinc/77/75/72/577777572.db2.gz UGKAWQLNMNGXEU-WYGGZMRJSA-N 1 2 346.354 2.008 10 30 EEEELO C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000937277326 682037135 /nfs/dbraw/zinc/03/71/35/682037135.db2.gz ZRNDWPOVXPKFNM-KBMXLJTQSA-N 1 2 344.459 2.002 10 30 EEEELO C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000937277326 682037140 /nfs/dbraw/zinc/03/71/40/682037140.db2.gz ZRNDWPOVXPKFNM-KBMXLJTQSA-N 1 2 344.459 2.002 10 30 EEEELO C#CC1(O)CCN(C(=O)C[N@@H+](CC)Cc2ccccc2Cl)CC1 ZINC000899119461 693618303 /nfs/dbraw/zinc/61/83/03/693618303.db2.gz NYUZKKYTGUQONF-UHFFFAOYSA-N 1 2 334.847 2.149 10 30 EEEELO C#CC1(O)CCN(C(=O)C[N@H+](CC)Cc2ccccc2Cl)CC1 ZINC000899119461 693618307 /nfs/dbraw/zinc/61/83/07/693618307.db2.gz NYUZKKYTGUQONF-UHFFFAOYSA-N 1 2 334.847 2.149 10 30 EEEELO C=C(C)C[C@H](NC(=O)c1cc(-n2cc[nH+]c2)ccc1O)C(=O)OCC ZINC000899208968 693657538 /nfs/dbraw/zinc/65/75/38/693657538.db2.gz JBWYIARAYYXMMB-HNNXBMFYSA-N 1 2 343.383 2.206 10 30 EEEELO C=CCCC(=O)N[C@@H]1CCC[N@@H+](CCCS(=O)(=O)C(C)C)[C@H]1C ZINC001486172271 1193711980 /nfs/dbraw/zinc/71/19/80/1193711980.db2.gz SZVVRPVDEJXOGT-JKSUJKDBSA-N 1 2 344.521 2.135 10 30 EEEELO C=CCCC(=O)N[C@@H]1CCC[N@H+](CCCS(=O)(=O)C(C)C)[C@H]1C ZINC001486172271 1193711982 /nfs/dbraw/zinc/71/19/82/1193711982.db2.gz SZVVRPVDEJXOGT-JKSUJKDBSA-N 1 2 344.521 2.135 10 30 EEEELO C=CCOCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccn(C(C)C)n2)[C@H]1C ZINC001486172846 1193712599 /nfs/dbraw/zinc/71/25/99/1193712599.db2.gz YPQBKILBERVSFS-DOTOQJQBSA-N 1 2 334.464 2.136 10 30 EEEELO C=CCOCC(=O)N[C@@H]1CCC[N@H+](Cc2ccn(C(C)C)n2)[C@H]1C ZINC001486172846 1193712601 /nfs/dbraw/zinc/71/26/01/1193712601.db2.gz YPQBKILBERVSFS-DOTOQJQBSA-N 1 2 334.464 2.136 10 30 EEEELO C#CCC1(C(=O)N[C@H]2CCC[N@@H+](Cc3cncn3C)C2)CCCCC1 ZINC001266251433 1176026354 /nfs/dbraw/zinc/02/63/54/1176026354.db2.gz CUQPASQGMNLTAL-KRWDZBQOSA-N 1 2 342.487 2.475 10 30 EEEELO C#CCC1(C(=O)N[C@H]2CCC[N@H+](Cc3cncn3C)C2)CCCCC1 ZINC001266251433 1176026357 /nfs/dbraw/zinc/02/63/57/1176026357.db2.gz CUQPASQGMNLTAL-KRWDZBQOSA-N 1 2 342.487 2.475 10 30 EEEELO C=CC(C)(C)C(=O)NCC[N@@H+](C)CC(=O)N1CCC[C@H]2CCCC[C@H]21 ZINC001266309029 1176210083 /nfs/dbraw/zinc/21/00/83/1176210083.db2.gz LJGMGSJXOWLUKX-IAGOWNOFSA-N 1 2 349.519 2.428 10 30 EEEELO C=CC(C)(C)C(=O)NCC[N@H+](C)CC(=O)N1CCC[C@H]2CCCC[C@H]21 ZINC001266309029 1176210089 /nfs/dbraw/zinc/21/00/89/1176210089.db2.gz LJGMGSJXOWLUKX-IAGOWNOFSA-N 1 2 349.519 2.428 10 30 EEEELO CC#CCCCC(=O)NCC[N@H+](C)[C@H](C)C(=O)Nc1cccc(F)c1 ZINC001690970726 1176401987 /nfs/dbraw/zinc/40/19/87/1176401987.db2.gz JPWUEKGKFRWCOQ-OAHLLOKOSA-N 1 2 347.434 2.394 10 30 EEEELO CC#CCCCC(=O)NCC[N@@H+](C)[C@H](C)C(=O)Nc1cccc(F)c1 ZINC001690970726 1176401990 /nfs/dbraw/zinc/40/19/90/1176401990.db2.gz JPWUEKGKFRWCOQ-OAHLLOKOSA-N 1 2 347.434 2.394 10 30 EEEELO C=CCC[C@@H](C(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC)C1)c1ccccc1 ZINC001266364130 1176416595 /nfs/dbraw/zinc/41/65/95/1176416595.db2.gz RUGPBZUBWKFYKC-QZTJIDSGSA-N 1 2 343.471 2.063 10 30 EEEELO C=CCC[C@@H](C(=O)N[C@@H]1CC[N@H+](CC(=O)NCC)C1)c1ccccc1 ZINC001266364130 1176416601 /nfs/dbraw/zinc/41/66/01/1176416601.db2.gz RUGPBZUBWKFYKC-QZTJIDSGSA-N 1 2 343.471 2.063 10 30 EEEELO CC(C)(C)C(=O)C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC001266454432 1176563444 /nfs/dbraw/zinc/56/34/44/1176563444.db2.gz WHRJZCKSAQLZPF-OAHLLOKOSA-N 1 2 345.418 2.393 10 30 EEEELO CC(C)(C)C(=O)C(=O)NC[C@H]1CCC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC001266454432 1176563449 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332.448 2.098 10 30 EEEELO C=CCC(F)(F)C(=O)NC1CC[NH+](CC(=O)OC(C)(C)C)CC1 ZINC000871543203 1197767982 /nfs/dbraw/zinc/76/79/82/1197767982.db2.gz JTILBWUZAYMGNG-UHFFFAOYSA-N 1 2 332.391 2.120 10 30 EEEELO C#CCC1(O)CC[NH+](CC(=O)Nc2ccc(OC)c(Cl)c2)CC1 ZINC000880480383 1201498937 /nfs/dbraw/zinc/49/89/37/1201498937.db2.gz RAXOFQNTSWVCDD-UHFFFAOYSA-N 1 2 336.819 2.137 10 30 EEEELO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H](CC)C(C)(C)c1ccccc1 ZINC000884152361 1202243367 /nfs/dbraw/zinc/24/33/67/1202243367.db2.gz IXKVBVIBGVZEBH-JKSUJKDBSA-N 1 2 332.444 2.306 10 30 EEEELO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1sc(C)nc1CC(C)C ZINC000884162712 1202246123 /nfs/dbraw/zinc/24/61/23/1202246123.db2.gz LZSSBFFWPCYTPB-NSHDSACASA-N 1 2 325.434 2.035 10 30 EEEELO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1[C@H](C)c2ccc(F)cc2C[C@@H]1C ZINC000884330850 1202294953 /nfs/dbraw/zinc/29/49/53/1202294953.db2.gz ZCDFIPHRGFERRM-OZVIIMIRSA-N 1 2 334.391 2.107 10 30 EEEELO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1ccc2ccn(C(F)F)c2c1 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EEEELO N#Cc1cnc(N2CC[NH+](C[C@H](O)c3ccccc3)CC2)c(Cl)c1 ZINC000172151017 464001738 /nfs/dbraw/zinc/00/17/38/464001738.db2.gz QLZOZCXEEDDKJA-KRWDZBQOSA-N 1 2 342.830 2.462 10 30 EEEELO C[C@H]1C[N@H+](Cc2cccnc2)CCN1C(=O)c1ccc(C#N)c(O)c1 ZINC000225498478 464166814 /nfs/dbraw/zinc/16/68/14/464166814.db2.gz GIZJQGDOQGXIQN-AWEZNQCLSA-N 1 2 336.395 2.005 10 30 EEEELO C[C@H]1C[N@@H+](Cc2cccnc2)CCN1C(=O)c1ccc(C#N)c(O)c1 ZINC000225498478 464166820 /nfs/dbraw/zinc/16/68/20/464166820.db2.gz GIZJQGDOQGXIQN-AWEZNQCLSA-N 1 2 336.395 2.005 10 30 EEEELO COC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2SCC#N)C1 ZINC000264081349 464280904 /nfs/dbraw/zinc/28/09/04/464280904.db2.gz DSMIYEGGNZODAQ-ZDUSSCGKSA-N 1 2 347.440 2.126 10 30 EEEELO COC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2SCC#N)C1 ZINC000264081349 464280908 /nfs/dbraw/zinc/28/09/08/464280908.db2.gz DSMIYEGGNZODAQ-ZDUSSCGKSA-N 1 2 347.440 2.126 10 30 EEEELO N#Cc1cc(NC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)ccc1F ZINC000176090923 464697027 /nfs/dbraw/zinc/69/70/27/464697027.db2.gz DMHFSJQZILZQSO-INIZCTEOSA-N 1 2 346.406 2.416 10 30 EEEELO C=C(C)CS(=O)(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000248972179 464825236 /nfs/dbraw/zinc/82/52/36/464825236.db2.gz PQDJOUVWLONDLR-CABCVRRESA-N 1 2 330.400 2.206 10 30 EEEELO C=C(C)CS(=O)(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000248972179 464825241 /nfs/dbraw/zinc/82/52/41/464825241.db2.gz PQDJOUVWLONDLR-CABCVRRESA-N 1 2 330.400 2.206 10 30 EEEELO C=CCOc1ccccc1CN1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000353434418 465880276 /nfs/dbraw/zinc/88/02/76/465880276.db2.gz IXOAWGPMMQCWHP-UHFFFAOYSA-N 1 2 326.444 2.303 10 30 EEEELO N#CCc1ccc(C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)cc1 ZINC000366986636 466056016 /nfs/dbraw/zinc/05/60/16/466056016.db2.gz IZZUTWNJFZZUBG-SFHVURJKSA-N 1 2 327.428 2.080 10 30 EEEELO C[C@@H](C#N)CN(CC(=O)N1CC[NH+](Cc2ccsc2)CC1)C1CC1 ZINC000338361625 466060943 /nfs/dbraw/zinc/06/09/43/466060943.db2.gz QTUYFGUUUXWQBC-HNNXBMFYSA-N 1 2 346.500 2.016 10 30 EEEELO N#CCN(C1CCCC1)S(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000358143579 466491118 /nfs/dbraw/zinc/49/11/18/466491118.db2.gz SPSNANRMVMUTHU-UHFFFAOYSA-N 1 2 344.440 2.388 10 30 EEEELO C=C1CCN(C(=O)[C@@H]2CCC(=O)N(CCC)[C@H]2c2c[nH+]cn2C)CC1 ZINC000369796456 466754280 /nfs/dbraw/zinc/75/42/80/466754280.db2.gz OBULWIOQNAZPPI-CRAIPNDOSA-N 1 2 344.459 2.288 10 30 EEEELO CC(C)(C)N1CC[C@@H]([NH+]2CCN(c3ccc(C#N)cc3F)CC2)C1=O ZINC000425399049 467093192 /nfs/dbraw/zinc/09/31/92/467093192.db2.gz VREOZLDDJGDREZ-QGZVFWFLSA-N 1 2 344.434 2.219 10 30 EEEELO C=CCN(CC=C)C(=O)C[NH2+][C@@H](C)c1ncc(Br)cn1 ZINC000432992243 467282404 /nfs/dbraw/zinc/28/24/04/467282404.db2.gz NOQRZQDMTABMDS-NSHDSACASA-N 1 2 339.237 2.090 10 30 EEEELO C[C@H]1COCC[N@@H+]1CCNC(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000431290217 467506916 /nfs/dbraw/zinc/50/69/16/467506916.db2.gz JXRIOOONWWBHRU-WMZOPIPTSA-N 1 2 344.459 2.441 10 30 EEEELO C[C@H]1COCC[N@H+]1CCNC(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000431290217 467506920 /nfs/dbraw/zinc/50/69/20/467506920.db2.gz JXRIOOONWWBHRU-WMZOPIPTSA-N 1 2 344.459 2.441 10 30 EEEELO COC(=O)c1cccc(C[N@@H+]2CC[C@@H]([C@H](O)C(F)(F)F)C2)c1C#N ZINC000516395786 468026137 /nfs/dbraw/zinc/02/61/37/468026137.db2.gz WHNNEKJDPSVNOF-RISCZKNCSA-N 1 2 342.317 2.090 10 30 EEEELO COC(=O)c1cccc(C[N@H+]2CC[C@@H]([C@H](O)C(F)(F)F)C2)c1C#N ZINC000516395786 468026140 /nfs/dbraw/zinc/02/61/40/468026140.db2.gz WHNNEKJDPSVNOF-RISCZKNCSA-N 1 2 342.317 2.090 10 30 EEEELO C=CCN1CC[C@H]([N@H+](C)Cc2nnc(-c3ccc(C)cc3)o2)C1=O ZINC000531956174 468086146 /nfs/dbraw/zinc/08/61/46/468086146.db2.gz DEZDKWIDVKXAKB-HNNXBMFYSA-N 1 2 326.400 2.264 10 30 EEEELO C=CCN1CC[C@H]([N@@H+](C)Cc2nnc(-c3ccc(C)cc3)o2)C1=O ZINC000531956174 468086149 /nfs/dbraw/zinc/08/61/49/468086149.db2.gz DEZDKWIDVKXAKB-HNNXBMFYSA-N 1 2 326.400 2.264 10 30 EEEELO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CC[C@H](OC(F)F)C2)C1=O ZINC000549412337 468183293 /nfs/dbraw/zinc/18/32/93/468183293.db2.gz SMRLMSDFRICXFY-WDEREUQCSA-N 1 2 327.356 2.039 10 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/nfs/dbraw/zinc/55/67/12/468556712.db2.gz CUCZQXMAANIOMQ-CZUORRHYSA-N 1 2 335.835 2.067 10 30 EEEELO C[C@]1(C2CC2)C[N@H+](CC(=O)N(CCC#N)c2ccccc2)CCO1 ZINC000595618634 468926023 /nfs/dbraw/zinc/92/60/23/468926023.db2.gz RVIKKYKWLHONEG-LJQANCHMSA-N 1 2 327.428 2.434 10 30 EEEELO C[C@]1(C2CC2)C[N@@H+](CC(=O)N(CCC#N)c2ccccc2)CCO1 ZINC000595618634 468926027 /nfs/dbraw/zinc/92/60/27/468926027.db2.gz RVIKKYKWLHONEG-LJQANCHMSA-N 1 2 327.428 2.434 10 30 EEEELO N#CCCN(CCC#N)C(=O)C[NH2+][C@H](C(F)F)C1CCCCC1 ZINC000598651037 468945644 /nfs/dbraw/zinc/94/56/44/468945644.db2.gz VYBJIXTUPGKNPV-HNNXBMFYSA-N 1 2 326.391 2.446 10 30 EEEELO C[C@@H]1COC2(CCCC2)C[N@@H+]1CC(=O)NCc1ccc(C#N)cc1 ZINC000595815854 469024885 /nfs/dbraw/zinc/02/48/85/469024885.db2.gz UKUOREMEUHKLLZ-OAHLLOKOSA-N 1 2 327.428 2.208 10 30 EEEELO C[C@@H]1COC2(CCCC2)C[N@H+]1CC(=O)NCc1ccc(C#N)cc1 ZINC000595815854 469024891 /nfs/dbraw/zinc/02/48/91/469024891.db2.gz UKUOREMEUHKLLZ-OAHLLOKOSA-N 1 2 327.428 2.208 10 30 EEEELO CC(C)[C@@H]([NH2+]C[C@@H](O)CC1(C#N)CCOCC1)C(=O)OC(C)(C)C ZINC000599353724 469223750 /nfs/dbraw/zinc/22/37/50/469223750.db2.gz OJXLVPNBFBVIFZ-LSDHHAIUSA-N 1 2 340.464 2.014 10 30 EEEELO COc1ccc(CNC(=O)C[N@@H+]2CCc3c(CC#N)cccc3C2)cc1 ZINC000599685721 469338112 /nfs/dbraw/zinc/33/81/12/469338112.db2.gz IKRLCTTWWKDJEI-UHFFFAOYSA-N 1 2 349.434 2.436 10 30 EEEELO COc1ccc(CNC(=O)C[N@H+]2CCc3c(CC#N)cccc3C2)cc1 ZINC000599685721 469338118 /nfs/dbraw/zinc/33/81/18/469338118.db2.gz IKRLCTTWWKDJEI-UHFFFAOYSA-N 1 2 349.434 2.436 10 30 EEEELO C=C(C)C[C@H]1NC(=O)N(C[C@@H](c2cccs2)[NH+]2CCOCC2)C1=O ZINC000630964627 470039154 /nfs/dbraw/zinc/03/91/54/470039154.db2.gz JFMSCZHUXFXLRA-KGLIPLIRSA-N 1 2 349.456 2.008 10 30 EEEELO CC[C@H]([NH2+]CC#CCN1C(=O)c2ccccc2C1=O)c1nccs1 ZINC000625319693 470118030 /nfs/dbraw/zinc/11/80/30/470118030.db2.gz KOYWBBZVYIYSHV-HNNXBMFYSA-N 1 2 339.420 2.483 10 30 EEEELO C=CCCC(C)(C)CNC(=O)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000632559874 470245766 /nfs/dbraw/zinc/24/57/66/470245766.db2.gz OZZJCYCCZLZYHG-MRXNPFEDSA-N 1 2 345.443 2.170 10 30 EEEELO C=CCn1c(C)cc(C(=O)C[N@@H+](C)[C@@H]2CCCCN(C)C2=O)c1C ZINC000634738564 470288682 /nfs/dbraw/zinc/28/86/82/470288682.db2.gz SVRXDNRIMUHWKJ-QGZVFWFLSA-N 1 2 331.460 2.416 10 30 EEEELO C=CCn1c(C)cc(C(=O)C[N@H+](C)[C@@H]2CCCCN(C)C2=O)c1C ZINC000634738564 470288683 /nfs/dbraw/zinc/28/86/83/470288683.db2.gz SVRXDNRIMUHWKJ-QGZVFWFLSA-N 1 2 331.460 2.416 10 30 EEEELO CC#CC[C@@H](CO)NC(=O)CCn1c(CCC)[nH+]c2ccccc21 ZINC000649184384 470491450 /nfs/dbraw/zinc/49/14/50/470491450.db2.gz JAQXPCXPHURMGE-HNNXBMFYSA-N 1 2 327.428 2.269 10 30 EEEELO C=C[C@@H]1CCCCN1C(=O)NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000637527897 470758199 /nfs/dbraw/zinc/75/81/99/470758199.db2.gz KDBTXUAJCDWOBF-QZTJIDSGSA-N 1 2 344.459 2.033 10 30 EEEELO C=C[C@@H]1CCCCN1C(=O)NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000637527897 470758203 /nfs/dbraw/zinc/75/82/03/470758203.db2.gz KDBTXUAJCDWOBF-QZTJIDSGSA-N 1 2 344.459 2.033 10 30 EEEELO CC#CC[NH2+]Cc1cn(Cc2csc(Br)c2)nn1 ZINC000640956356 471135893 /nfs/dbraw/zinc/13/58/93/471135893.db2.gz BOYDYULKMRFMGO-UHFFFAOYSA-N 1 2 325.235 2.263 10 30 EEEELO C=C(C)COc1cccc(NC(=O)C(=O)N[C@@H](C)c2[nH+]ccn2C)c1 ZINC000658919756 471437407 /nfs/dbraw/zinc/43/74/07/471437407.db2.gz JSKJTKGOZZPCBZ-ZDUSSCGKSA-N 1 2 342.399 2.191 10 30 EEEELO COc1ccc([C@H](NC(=O)c2ccc(C#N)o2)c2[nH+]ccn2C)cc1 ZINC000431754896 485709250 /nfs/dbraw/zinc/70/92/50/485709250.db2.gz AZDUPYUGTOGDTN-INIZCTEOSA-N 1 2 336.351 2.413 10 30 EEEELO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000434359689 485714392 /nfs/dbraw/zinc/71/43/92/485714392.db2.gz MIMBSMZPVXQJCZ-OLZOCXBDSA-N 1 2 346.456 2.080 10 30 EEEELO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000434359689 485714401 /nfs/dbraw/zinc/71/44/01/485714401.db2.gz MIMBSMZPVXQJCZ-OLZOCXBDSA-N 1 2 346.456 2.080 10 30 EEEELO C#CC[N@@H+](Cc1ccc(C(C)(C)C#N)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000775632554 577441341 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/nfs/dbraw/zinc/80/47/55/1348804755.db2.gz GUNSWWMYCGTZAK-KSSFIOAISA-N 1 2 332.448 2.106 10 30 EEEELO C#CC[N@H+]1CCC[C@@H](NC(=O)c2sc(C(C)(C)OC)nc2C)C1 ZINC001595789883 1349895225 /nfs/dbraw/zinc/89/52/25/1349895225.db2.gz DMDRLJQRMRVQJU-CYBMUJFWSA-N 1 2 335.473 2.160 10 30 EEEELO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2sc(C(C)(C)OC)nc2C)C1 ZINC001595789883 1349895230 /nfs/dbraw/zinc/89/52/30/1349895230.db2.gz DMDRLJQRMRVQJU-CYBMUJFWSA-N 1 2 335.473 2.160 10 30 EEEELO C=C(C)CCC(=O)N1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C(C)(C)C1 ZINC001678804381 1357569818 /nfs/dbraw/zinc/56/98/18/1357569818.db2.gz LICNJCYKULXXFS-FMKPAKJESA-N 1 2 344.459 2.223 10 30 EEEELO C=C(C)CCC(=O)N1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C(C)(C)C1 ZINC001678804381 1357569821 /nfs/dbraw/zinc/56/98/21/1357569821.db2.gz LICNJCYKULXXFS-FMKPAKJESA-N 1 2 344.459 2.223 10 30 EEEELO C=C[C@@H](C)[C@H](C)C(=O)NC1(CNC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001649535540 1353554843 /nfs/dbraw/zinc/55/48/43/1353554843.db2.gz RDYOYZBGYHWVBZ-HIFRSBDPSA-N 1 2 346.475 2.150 10 30 EEEELO CC#CC[C@@H](CO)Nc1[nH+]cnc2c1cnn2-c1ccccc1F ZINC001652013614 1354073233 /nfs/dbraw/zinc/07/32/33/1354073233.db2.gz IGLBOWZCYUBLBC-LBPRGKRZSA-N 1 2 325.347 2.141 10 30 EEEELO C=CCC(C)(C)C(=O)N(C)C[C@@H]1CC[N@H+]1CC(=O)N1CCC(C)CC1 ZINC001656092035 1354199136 /nfs/dbraw/zinc/19/91/36/1354199136.db2.gz DLXSMRKQPKGAGZ-KRWDZBQOSA-N 1 2 349.519 2.380 10 30 EEEELO C=CCC(C)(C)C(=O)N(C)C[C@@H]1CC[N@@H+]1CC(=O)N1CCC(C)CC1 ZINC001656092035 1354199138 /nfs/dbraw/zinc/19/91/38/1354199138.db2.gz DLXSMRKQPKGAGZ-KRWDZBQOSA-N 1 2 349.519 2.380 10 30 EEEELO COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C12CC3CC(CC(C3)C1)C2 ZINC001656105634 1354201721 /nfs/dbraw/zinc/20/17/21/1354201721.db2.gz ILRZKABNDFMHBL-VJJCQHNBSA-N 1 2 344.499 2.385 10 30 EEEELO COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)C12CC3CC(CC(C3)C1)C2 ZINC001656105634 1354201725 /nfs/dbraw/zinc/20/17/25/1354201725.db2.gz ILRZKABNDFMHBL-VJJCQHNBSA-N 1 2 344.499 2.385 10 30 EEEELO C=C(Br)C[N@H+]1CC[C@H](NC(=O)CCCOC)[C@H]1CC ZINC001656688637 1354264670 /nfs/dbraw/zinc/26/46/70/1354264670.db2.gz LWSFXYDWRGKMIY-QWHCGFSZSA-N 1 2 333.270 2.291 10 30 EEEELO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)CCCOC)[C@H]1CC ZINC001656688637 1354264674 /nfs/dbraw/zinc/26/46/74/1354264674.db2.gz LWSFXYDWRGKMIY-QWHCGFSZSA-N 1 2 333.270 2.291 10 30 EEEELO C=CCCn1cc(C[NH2+][C@H](CC(N)=O)c2ccc(Cl)cc2)nn1 ZINC001657047504 1354312074 /nfs/dbraw/zinc/31/20/74/1354312074.db2.gz DEYHROYWICWDLE-OAHLLOKOSA-N 1 2 333.823 2.214 10 30 EEEELO C#CCCCCC(=O)NCCN1CC[NH+](Cc2cccc(F)c2)CC1 ZINC001660920885 1354561654 /nfs/dbraw/zinc/56/16/54/1354561654.db2.gz CYYREXHMKIXQOC-UHFFFAOYSA-N 1 2 345.462 2.253 10 30 EEEELO C#CCCCCC(=O)NCC[NH+]1CCN(Cc2cccc(F)c2)CC1 ZINC001660920885 1354561657 /nfs/dbraw/zinc/56/16/57/1354561657.db2.gz CYYREXHMKIXQOC-UHFFFAOYSA-N 1 2 345.462 2.253 10 30 EEEELO C=CCCCC(=O)N[C@H]1CC12CC[NH+](Cc1ncnn1CC)CC2 ZINC001661069292 1354585733 /nfs/dbraw/zinc/58/57/33/1354585733.db2.gz VHNWYAGMPFJTKQ-HNNXBMFYSA-N 1 2 331.464 2.125 10 30 EEEELO CC(C)CCc1noc(C[NH2+][C@@H](CNC(=O)C#CC2CC2)C2CC2)n1 ZINC001661127204 1354594915 /nfs/dbraw/zinc/59/49/15/1354594915.db2.gz LHFHIKPVLIXHBA-INIZCTEOSA-N 1 2 344.459 2.056 10 30 EEEELO C=C(C)C(C)(C)C(=O)NC[C@H]1CCC[N@@H+](Cc2ncnn2CC)C1 ZINC001661727750 1354682584 /nfs/dbraw/zinc/68/25/84/1354682584.db2.gz FSMGZPWGAXEZAS-OAHLLOKOSA-N 1 2 333.480 2.229 10 30 EEEELO C=C(C)C(C)(C)C(=O)NC[C@H]1CCC[N@H+](Cc2ncnn2CC)C1 ZINC001661727750 1354682589 /nfs/dbraw/zinc/68/25/89/1354682589.db2.gz FSMGZPWGAXEZAS-OAHLLOKOSA-N 1 2 333.480 2.229 10 30 EEEELO CC(C)C#CC(=O)NC[C@H]1CCCC[N@@H+]1CC(=O)NCCC(C)(C)C ZINC001661861140 1354712217 /nfs/dbraw/zinc/71/22/17/1354712217.db2.gz HMDRYKDBPGTXQS-QGZVFWFLSA-N 1 2 349.519 2.169 10 30 EEEELO CC(C)C#CC(=O)NC[C@H]1CCCC[N@H+]1CC(=O)NCCC(C)(C)C ZINC001661861140 1354712221 /nfs/dbraw/zinc/71/22/21/1354712221.db2.gz HMDRYKDBPGTXQS-QGZVFWFLSA-N 1 2 349.519 2.169 10 30 EEEELO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[N@@H+](C)Cc1cc(C2CC2)no1 ZINC001663296018 1354944758 /nfs/dbraw/zinc/94/47/58/1354944758.db2.gz GDQFCIVXOXNLAN-RDJZCZTQSA-N 1 2 333.432 2.081 10 30 EEEELO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[N@H+](C)Cc1cc(C2CC2)no1 ZINC001663296018 1354944763 /nfs/dbraw/zinc/94/47/63/1354944763.db2.gz GDQFCIVXOXNLAN-RDJZCZTQSA-N 1 2 333.432 2.081 10 30 EEEELO C#CCCCC(=O)NC[C@H]([NH2+][C@H](C)c1nncn1C)c1ccccc1 ZINC001664577971 1355195534 /nfs/dbraw/zinc/19/55/34/1355195534.db2.gz HHPPLUAWAHBTLP-WBVHZDCISA-N 1 2 339.443 2.127 10 30 EEEELO C=CCOCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1oc(C(C)C)nc1C ZINC001664613241 1355200651 /nfs/dbraw/zinc/20/06/51/1355200651.db2.gz XOCGMCMCDRSBTB-IYBDPMFKSA-N 1 2 347.459 2.484 10 30 EEEELO C=CCOCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1oc(C(C)C)nc1C ZINC001664613241 1355200656 /nfs/dbraw/zinc/20/06/56/1355200656.db2.gz XOCGMCMCDRSBTB-IYBDPMFKSA-N 1 2 347.459 2.484 10 30 EEEELO CC(C)Cc1nc(C[N@@H+]2CC[C@@H](CCNC(=O)C#CC3CC3)C2)no1 ZINC001664712651 1355220358 /nfs/dbraw/zinc/22/03/58/1355220358.db2.gz QKHGPGGARVHHCJ-MRXNPFEDSA-N 1 2 344.459 2.010 10 30 EEEELO CC(C)Cc1nc(C[N@H+]2CC[C@@H](CCNC(=O)C#CC3CC3)C2)no1 ZINC001664712651 1355220363 /nfs/dbraw/zinc/22/03/63/1355220363.db2.gz QKHGPGGARVHHCJ-MRXNPFEDSA-N 1 2 344.459 2.010 10 30 EEEELO CC(C)C#CC(=O)N(C)[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccccc2)C1 ZINC001665632638 1355341042 /nfs/dbraw/zinc/34/10/42/1355341042.db2.gz YIOZOAYJMRHAHM-AEFFLSMTSA-N 1 2 341.455 2.206 10 30 EEEELO CC(C)C#CC(=O)N(C)[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccccc2)C1 ZINC001665632638 1355341046 /nfs/dbraw/zinc/34/10/46/1355341046.db2.gz YIOZOAYJMRHAHM-AEFFLSMTSA-N 1 2 341.455 2.206 10 30 EEEELO CCN(C(=O)C#CC(C)(C)C)[C@H]1CC[N@H+](Cc2cc3n(n2)CCC3)C1 ZINC001665714958 1355369971 /nfs/dbraw/zinc/36/99/71/1355369971.db2.gz KVSXRPJTJLKYEM-SFHVURJKSA-N 1 2 342.487 2.302 10 30 EEEELO CCN(C(=O)C#CC(C)(C)C)[C@H]1CC[N@@H+](Cc2cc3n(n2)CCC3)C1 ZINC001665714958 1355369972 /nfs/dbraw/zinc/36/99/72/1355369972.db2.gz KVSXRPJTJLKYEM-SFHVURJKSA-N 1 2 342.487 2.302 10 30 EEEELO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)Cc2cccc3cnccc32)C1 ZINC001666707296 1355571258 /nfs/dbraw/zinc/57/12/58/1355571258.db2.gz CDDYJTSCDGPSDM-GOSISDBHSA-N 1 2 339.439 2.170 10 30 EEEELO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)Cc2cccc3cnccc32)C1 ZINC001666707296 1355571264 /nfs/dbraw/zinc/57/12/64/1355571264.db2.gz CDDYJTSCDGPSDM-GOSISDBHSA-N 1 2 339.439 2.170 10 30 EEEELO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)C2(Cc3ccccc3)CC2)C1 ZINC001666708714 1355571705 /nfs/dbraw/zinc/57/17/05/1355571705.db2.gz RAFOIEMUOBWUTF-SFHVURJKSA-N 1 2 328.456 2.402 10 30 EEEELO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)C2(Cc3ccccc3)CC2)C1 ZINC001666708714 1355571707 /nfs/dbraw/zinc/57/17/07/1355571707.db2.gz RAFOIEMUOBWUTF-SFHVURJKSA-N 1 2 328.456 2.402 10 30 EEEELO C=CC[N@@H+]1CCO[C@@H](CNC(=O)C2(c3ccc(Cl)cc3)CC2)C1 ZINC001666730200 1355579949 /nfs/dbraw/zinc/57/99/49/1355579949.db2.gz PDAOVTDDFGTCGL-INIZCTEOSA-N 1 2 334.847 2.375 10 30 EEEELO C=CC[N@H+]1CCO[C@@H](CNC(=O)C2(c3ccc(Cl)cc3)CC2)C1 ZINC001666730200 1355579955 /nfs/dbraw/zinc/57/99/55/1355579955.db2.gz PDAOVTDDFGTCGL-INIZCTEOSA-N 1 2 334.847 2.375 10 30 EEEELO C=CCCCC(=O)NCCCN(C)C(=O)c1cccc2[nH+]ccn21 ZINC001687606780 1355775484 /nfs/dbraw/zinc/77/54/84/1355775484.db2.gz KPBRGIIFHKLRIO-UHFFFAOYSA-N 1 2 328.416 2.269 10 30 EEEELO C#Cc1cccc(NC(=O)C[N@@H+](C)C[C@H](C)NC(=O)[C@H](C)CCC)c1 ZINC001669787899 1356208587 /nfs/dbraw/zinc/20/85/87/1356208587.db2.gz CQFXBANFZSXTNR-CVEARBPZSA-N 1 2 343.471 2.479 10 30 EEEELO C#Cc1cccc(NC(=O)C[N@H+](C)C[C@H](C)NC(=O)[C@H](C)CCC)c1 ZINC001669787899 1356208594 /nfs/dbraw/zinc/20/85/94/1356208594.db2.gz CQFXBANFZSXTNR-CVEARBPZSA-N 1 2 343.471 2.479 10 30 EEEELO C=CC(C)(C)C(=O)N[C@@H](C)C[N@H+](C)[C@H](C)C(=O)Nc1nccs1 ZINC001669861831 1356228007 /nfs/dbraw/zinc/22/80/07/1356228007.db2.gz FEYYDXIZHRNZSP-NWDGAFQWSA-N 1 2 338.477 2.119 10 30 EEEELO C=CC(C)(C)C(=O)N[C@@H](C)C[N@@H+](C)[C@H](C)C(=O)Nc1nccs1 ZINC001669861831 1356228014 /nfs/dbraw/zinc/22/80/14/1356228014.db2.gz FEYYDXIZHRNZSP-NWDGAFQWSA-N 1 2 338.477 2.119 10 30 EEEELO C#CCCCCC(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2Cc1nc(CC)no1 ZINC001672517156 1356542152 /nfs/dbraw/zinc/54/21/52/1356542152.db2.gz XUMRGKCDVVWGBW-HZPDHXFCSA-N 1 2 344.459 2.391 10 30 EEEELO C#CCCCCC(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2Cc1nc(CC)no1 ZINC001672517156 1356542157 /nfs/dbraw/zinc/54/21/57/1356542157.db2.gz XUMRGKCDVVWGBW-HZPDHXFCSA-N 1 2 344.459 2.391 10 30 EEEELO C=CCCOCC(=O)N[C@H]1CCC[N@@H+]([C@@H](C)c2csnn2)CC1 ZINC001673406263 1356687255 /nfs/dbraw/zinc/68/72/55/1356687255.db2.gz CYMVBRKULSHBDD-KBPBESRZSA-N 1 2 338.477 2.163 10 30 EEEELO C=CCCOCC(=O)N[C@H]1CCC[N@H+]([C@@H](C)c2csnn2)CC1 ZINC001673406263 1356687259 /nfs/dbraw/zinc/68/72/59/1356687259.db2.gz CYMVBRKULSHBDD-KBPBESRZSA-N 1 2 338.477 2.163 10 30 EEEELO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)C[C@H](C)c1c(C)noc1C)O2 ZINC001673533403 1356705993 /nfs/dbraw/zinc/70/59/93/1356705993.db2.gz PLFNSAFIORMCJO-BBRMVZONSA-N 1 2 347.459 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1205292988 /nfs/dbraw/zinc/29/29/88/1205292988.db2.gz HEKPSMGTHTWKPD-ZDUSSCGKSA-N 1 2 340.427 2.257 10 30 EEEELO C=CCC1(C(=O)N[C@H](C)[C@@H](C)[NH2+]Cc2nnn(C(C)(C)C)n2)CCC1 ZINC001275480071 1205378790 /nfs/dbraw/zinc/37/87/90/1205378790.db2.gz FLVHISSMPWHSRG-ZIAGYGMSSA-N 1 2 348.495 2.157 10 30 EEEELO N#Cc1ccc(N2CCC[C@@H]2C(=O)N2CCc3cc[nH+]c(N)c3C2)cc1 ZINC001412432744 1205723880 /nfs/dbraw/zinc/72/38/80/1205723880.db2.gz DKFMEQVJABWNQU-GOSISDBHSA-N 1 2 347.422 2.089 10 30 EEEELO C=CC[N@H+](CCc1ccccc1)Cn1nnc(-c2cscn2)n1 ZINC000902075472 1236987283 /nfs/dbraw/zinc/98/72/83/1236987283.db2.gz ASJGDWFDFGXHCG-UHFFFAOYSA-N 1 2 326.429 2.485 10 30 EEEELO C=CC[N@@H+](CCc1ccccc1)Cn1nnc(-c2cscn2)n1 ZINC000902075472 1236987287 /nfs/dbraw/zinc/98/72/87/1236987287.db2.gz ASJGDWFDFGXHCG-UHFFFAOYSA-N 1 2 326.429 2.485 10 30 EEEELO C=CCCCC(=O)N1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001491029921 1258587675 /nfs/dbraw/zinc/58/76/75/1258587675.db2.gz RKFKPRIWRGNXBD-QGZVFWFLSA-N 1 2 346.475 2.497 10 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ZINC001488549951 1290055501 /nfs/dbraw/zinc/05/55/01/1290055501.db2.gz MLLUJSPOYFABCN-DNVCBOLYSA-N 1 2 346.475 2.229 10 30 EEEELO C=CCNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)CCC1CCCCC1 ZINC001488691872 1290133932 /nfs/dbraw/zinc/13/39/32/1290133932.db2.gz YEWWFRSDLCBTPF-QGZVFWFLSA-N 1 2 335.492 2.182 10 30 EEEELO C=CCNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)CCC1CCCCC1 ZINC001488691872 1290133939 /nfs/dbraw/zinc/13/39/39/1290133939.db2.gz YEWWFRSDLCBTPF-QGZVFWFLSA-N 1 2 335.492 2.182 10 30 EEEELO C[C@@H](C#N)C(=O)NCCCN1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC001490466632 1291354442 /nfs/dbraw/zinc/35/44/42/1291354442.db2.gz SZOQTZMBPJFOIV-HOTGVXAUSA-N 1 2 346.450 2.170 10 30 EEEELO C#CCCCC(=O)NCC[NH+]1CCN(Cc2cccc(Cl)c2)CC1 ZINC001490491689 1291382458 /nfs/dbraw/zinc/38/24/58/1291382458.db2.gz QCXYLZPRJTXTSA-UHFFFAOYSA-N 1 2 347.890 2.377 10 30 EEEELO C#CCCCC(=O)NCCN1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC001490491689 1291382466 /nfs/dbraw/zinc/38/24/66/1291382466.db2.gz QCXYLZPRJTXTSA-UHFFFAOYSA-N 1 2 347.890 2.377 10 30 EEEELO CC(C)(C)C#CC(=O)N1CC2(C1)CCC[N@H+](Cc1cnns1)C2 ZINC001276862993 1299974774 /nfs/dbraw/zinc/97/47/74/1299974774.db2.gz UXGYJMSNWMCRQC-UHFFFAOYSA-N 1 2 332.473 2.012 10 30 EEEELO CC(C)(C)C#CC(=O)N1CC2(C1)CCC[N@@H+](Cc1cnns1)C2 ZINC001276862993 1299974779 /nfs/dbraw/zinc/97/47/79/1299974779.db2.gz UXGYJMSNWMCRQC-UHFFFAOYSA-N 1 2 332.473 2.012 10 30 EEEELO COCC#CC[N@@H+]1CC[C@@H]1CNC(=O)Cc1c(C)cccc1Cl ZINC001276883221 1300098984 /nfs/dbraw/zinc/09/89/84/1300098984.db2.gz FTEUKXUNVGEPQQ-OAHLLOKOSA-N 1 2 334.847 2.031 10 30 EEEELO COCC#CC[N@H+]1CC[C@@H]1CNC(=O)Cc1c(C)cccc1Cl ZINC001276883221 1300098994 /nfs/dbraw/zinc/09/89/94/1300098994.db2.gz FTEUKXUNVGEPQQ-OAHLLOKOSA-N 1 2 334.847 2.031 10 30 EEEELO C=CC(C)(C)CC(=O)N1CC[C@@]2(CC[N@@H+](Cc3nc(C)no3)C2)C1 ZINC001277517597 1303813844 /nfs/dbraw/zinc/81/38/44/1303813844.db2.gz XUZFVLIRDUUAED-GOSISDBHSA-N 1 2 332.448 2.405 10 30 EEEELO C=CC(C)(C)CC(=O)N1CC[C@@]2(CC[N@H+](Cc3nc(C)no3)C2)C1 ZINC001277517597 1303813849 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2.467 10 30 EEEELO C#CCCCCC(=O)N[C@]1(C)CC[N@H+]([C@@H](C)c2nnc(CC)o2)C1 ZINC001278381569 1309940426 /nfs/dbraw/zinc/94/04/26/1309940426.db2.gz LOXPDLMJVDUKSJ-KBXCAEBGSA-N 1 2 332.448 2.467 10 30 EEEELO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCO[C@H](CCF)C1 ZINC001121509033 1310035728 /nfs/dbraw/zinc/03/57/28/1310035728.db2.gz BPCIVTONRMJCSA-CABCVRRESA-N 1 2 337.443 2.186 10 30 EEEELO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCO[C@H](CCF)C1 ZINC001121509033 1310035736 /nfs/dbraw/zinc/03/57/36/1310035736.db2.gz BPCIVTONRMJCSA-CABCVRRESA-N 1 2 337.443 2.186 10 30 EEEELO N#Cc1cnc(COC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)nc1 ZINC000842080381 1315659736 /nfs/dbraw/zinc/65/97/36/1315659736.db2.gz FJZBFKCARFIVCF-KRWDZBQOSA-N 1 2 336.395 2.446 10 30 EEEELO N#Cc1cnc(COC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)nc1 ZINC000842080381 1315659739 /nfs/dbraw/zinc/65/97/39/1315659739.db2.gz FJZBFKCARFIVCF-KRWDZBQOSA-N 1 2 336.395 2.446 10 30 EEEELO C=CCCC(=O)N1C[C@H]([NH2+]Cc2nc(CC3CC3)no2)C(C)(C)C1 ZINC001278631239 1317420013 /nfs/dbraw/zinc/42/00/13/1317420013.db2.gz TYSHSQRGXRMVOZ-AWEZNQCLSA-N 1 2 332.448 2.315 10 30 EEEELO C=C1CCC(C(=O)NCC[N@@H+](CCOC)Cc2ocnc2C)CC1 ZINC001279048401 1319082528 /nfs/dbraw/zinc/08/25/28/1319082528.db2.gz BNJLRIOIVZYUHP-UHFFFAOYSA-N 1 2 335.448 2.294 10 30 EEEELO C=C1CCC(C(=O)NCC[N@H+](CCOC)Cc2ocnc2C)CC1 ZINC001279048401 1319082536 /nfs/dbraw/zinc/08/25/36/1319082536.db2.gz BNJLRIOIVZYUHP-UHFFFAOYSA-N 1 2 335.448 2.294 10 30 EEEELO C=CCC(C)(C)C(=O)NCC1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001293830342 1328824014 /nfs/dbraw/zinc/82/40/14/1328824014.db2.gz AQOUCONFHDYBFP-UHFFFAOYSA-N 1 2 346.475 2.218 10 30 EEEELO C#CCCCC(=O)N(C)CCCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001294238219 1328939007 /nfs/dbraw/zinc/93/90/07/1328939007.db2.gz AQOKLRNAPRPUPG-UHFFFAOYSA-N 1 2 329.444 2.389 10 30 EEEELO C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N1CC[C@@H](COCC)C1 ZINC001263287800 1322453000 /nfs/dbraw/zinc/45/30/00/1322453000.db2.gz UGFFTEXGZKDCRF-MRXNPFEDSA-N 1 2 333.480 2.313 10 30 EEEELO C=CCN1CC[C@@H]([N@H+]2CC[C@H]2CN(C)C(=O)CC(CC)CC)C1=O ZINC001263816551 1322524714 /nfs/dbraw/zinc/52/47/14/1322524714.db2.gz DQUVTPYJXGNIKQ-DLBZAZTESA-N 1 2 335.492 2.132 10 30 EEEELO C=CCN1CC[C@@H]([N@@H+]2CC[C@H]2CN(C)C(=O)CC(CC)CC)C1=O ZINC001263816551 1322524719 /nfs/dbraw/zinc/52/47/19/1322524719.db2.gz DQUVTPYJXGNIKQ-DLBZAZTESA-N 1 2 335.492 2.132 10 30 EEEELO C[C@@H]1[C@@H](NC(=O)CSCC#N)CC[N@@H+]1Cc1cccc(F)c1F ZINC001264689674 1322784910 /nfs/dbraw/zinc/78/49/10/1322784910.db2.gz AMMIQOFPHBHGAJ-RISCZKNCSA-N 1 2 339.411 2.301 10 30 EEEELO C[C@@H]1[C@@H](NC(=O)CSCC#N)CC[N@H+]1Cc1cccc(F)c1F ZINC001264689674 1322784912 /nfs/dbraw/zinc/78/49/12/1322784912.db2.gz AMMIQOFPHBHGAJ-RISCZKNCSA-N 1 2 339.411 2.301 10 30 EEEELO C=CCOCCCC(=O)N(C)C1CC[NH+]([C@H](C)c2ncccn2)CC1 ZINC001265190353 1322977130 /nfs/dbraw/zinc/97/71/30/1322977130.db2.gz NKEGSSIQNCSJEP-MRXNPFEDSA-N 1 2 346.475 2.443 10 30 EEEELO C=CC(C)(C)CC(=O)N[C@H]1CCC[N@@H+](CC(=O)NCC(C)(C)C)C1 ZINC001265215098 1322989022 /nfs/dbraw/zinc/98/90/22/1322989022.db2.gz UXHBGNYTQFXBLM-HNNXBMFYSA-N 1 2 337.508 2.332 10 30 EEEELO C=CC(C)(C)CC(=O)N[C@H]1CCC[N@H+](CC(=O)NCC(C)(C)C)C1 ZINC001265215098 1322989023 /nfs/dbraw/zinc/98/90/23/1322989023.db2.gz UXHBGNYTQFXBLM-HNNXBMFYSA-N 1 2 337.508 2.332 10 30 EEEELO C#CCCCCCC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(OC)nn2)C1 ZINC001265223225 1322994267 /nfs/dbraw/zinc/99/42/67/1322994267.db2.gz SICNZTJHDVMMQM-INIZCTEOSA-N 1 2 344.459 2.150 10 30 EEEELO C#CCCCCCC(=O)N[C@H]1CCC[N@H+](Cc2ccc(OC)nn2)C1 ZINC001265223225 1322994270 /nfs/dbraw/zinc/99/42/70/1322994270.db2.gz SICNZTJHDVMMQM-INIZCTEOSA-N 1 2 344.459 2.150 10 30 EEEELO CC#CC[NH+]1CCN(CCCNC(=O)c2coc3ccccc23)CC1 ZINC001265254737 1323014999 /nfs/dbraw/zinc/01/49/99/1323014999.db2.gz YDLOGSCZLPOJNH-UHFFFAOYSA-N 1 2 339.439 2.194 10 30 EEEELO C=CCCC(=O)N[C@H]1CC[N@@H+](CC(=O)Nc2ccc(C)cc2C)C1 ZINC001265274759 1323026035 /nfs/dbraw/zinc/02/60/35/1323026035.db2.gz IDZHIIUDBPICCO-INIZCTEOSA-N 1 2 329.444 2.399 10 30 EEEELO C=CCCC(=O)N[C@H]1CC[N@H+](CC(=O)Nc2ccc(C)cc2C)C1 ZINC001265274759 1323026041 /nfs/dbraw/zinc/02/60/41/1323026041.db2.gz IDZHIIUDBPICCO-INIZCTEOSA-N 1 2 329.444 2.399 10 30 EEEELO C=C[C@](C)(O)CC(=O)N[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2F)C1 ZINC001265280575 1323031152 /nfs/dbraw/zinc/03/11/52/1323031152.db2.gz DJVLTHNSHIVWAN-PBHICJAKSA-N 1 2 340.826 2.497 10 30 EEEELO C=C[C@](C)(O)CC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2F)C1 ZINC001265280575 1323031159 /nfs/dbraw/zinc/03/11/59/1323031159.db2.gz DJVLTHNSHIVWAN-PBHICJAKSA-N 1 2 340.826 2.497 10 30 EEEELO C=CCC1(C(=O)N[C@H]2CC[N@@H+](Cc3c(C)nnn3CC)C2)CCC1 ZINC001265300973 1323051876 /nfs/dbraw/zinc/05/18/76/1323051876.db2.gz APZOEJCIWWYEFG-HNNXBMFYSA-N 1 2 331.464 2.043 10 30 EEEELO C=CCC1(C(=O)N[C@H]2CC[N@H+](Cc3c(C)nnn3CC)C2)CCC1 ZINC001265300973 1323051878 /nfs/dbraw/zinc/05/18/78/1323051878.db2.gz APZOEJCIWWYEFG-HNNXBMFYSA-N 1 2 331.464 2.043 10 30 EEEELO C=CCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2cn(C(C)(C)C)nn2)C1 ZINC001265578157 1323231973 /nfs/dbraw/zinc/23/19/73/1323231973.db2.gz TVTIUWYPPSGFGV-HNNXBMFYSA-N 1 2 333.480 2.328 10 30 EEEELO C=CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2cn(C(C)(C)C)nn2)C1 ZINC001265578157 1323231982 /nfs/dbraw/zinc/23/19/82/1323231982.db2.gz TVTIUWYPPSGFGV-HNNXBMFYSA-N 1 2 333.480 2.328 10 30 EEEELO C=CCCC(=O)N[C@@H](C)[C@H]1CCC[N@H+](Cc2nc(C3CC3)nn2C)C1 ZINC001265700847 1323334743 /nfs/dbraw/zinc/33/47/43/1323334743.db2.gz WSNHVFXPJOIZTR-HOCLYGCPSA-N 1 2 345.491 2.375 10 30 EEEELO C=CCCC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](Cc2nc(C3CC3)nn2C)C1 ZINC001265700847 1323334747 /nfs/dbraw/zinc/33/47/47/1323334747.db2.gz WSNHVFXPJOIZTR-HOCLYGCPSA-N 1 2 345.491 2.375 10 30 EEEELO CC#CCCCC(=O)N1CC[C@H]([NH2+]Cc2nc(CC(C)C)no2)C1 ZINC001265924721 1323490884 /nfs/dbraw/zinc/49/08/84/1323490884.db2.gz DFACXACVRZMOTC-HNNXBMFYSA-N 1 2 332.448 2.152 10 30 EEEELO C=CCC1(C(=O)NCCC[N@@H+](C)[C@@H](C)c2nncn2C)CCCC1 ZINC001265986012 1323545127 /nfs/dbraw/zinc/54/51/27/1323545127.db2.gz VGKYXLSTEPMTHH-HNNXBMFYSA-N 1 2 333.480 2.451 10 30 EEEELO C=CCC1(C(=O)NCCC[N@H+](C)[C@@H](C)c2nncn2C)CCCC1 ZINC001265986012 1323545131 /nfs/dbraw/zinc/54/51/31/1323545131.db2.gz VGKYXLSTEPMTHH-HNNXBMFYSA-N 1 2 333.480 2.451 10 30 EEEELO CCOCCC(=O)N[C@H]1CCC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001266209157 1323774370 /nfs/dbraw/zinc/77/43/70/1323774370.db2.gz KBXVKQYRZICJJM-INIZCTEOSA-N 1 2 333.407 2.205 10 30 EEEELO CCOCCC(=O)N[C@H]1CCC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001266209157 1323774376 /nfs/dbraw/zinc/77/43/76/1323774376.db2.gz KBXVKQYRZICJJM-INIZCTEOSA-N 1 2 333.407 2.205 10 30 EEEELO C=C(C)CCC(=O)N1CCC[C@H]1CN(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001279839892 1324010844 /nfs/dbraw/zinc/01/08/44/1324010844.db2.gz ZBCNJZBVMPRJCY-WBVHZDCISA-N 1 2 346.475 2.394 10 30 EEEELO C=C(C)CCC(=O)N1CCC[C@H]1CN(C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001279839892 1324010852 /nfs/dbraw/zinc/01/08/52/1324010852.db2.gz ZBCNJZBVMPRJCY-WBVHZDCISA-N 1 2 346.475 2.394 10 30 EEEELO C#CCCCC(=O)N[C@@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001294730675 1329131150 /nfs/dbraw/zinc/13/11/50/1329131150.db2.gz AAYRPLZBYMZVNZ-MRXNPFEDSA-N 1 2 327.428 2.141 10 30 EEEELO C=CCCCC(=O)N1CC2(C1)CC[NH+](Cc1ncnn1CC)CC2 ZINC001280391701 1324195580 /nfs/dbraw/zinc/19/55/80/1324195580.db2.gz BOJAWGGBAFZZJY-UHFFFAOYSA-N 1 2 331.464 2.079 10 30 EEEELO C=CC(C)(C)CC(=O)N1CCCCC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001280610372 1324337642 /nfs/dbraw/zinc/33/76/42/1324337642.db2.gz STBXOGAZRAVPNX-INIZCTEOSA-N 1 2 346.475 2.373 10 30 EEEELO C=CCOCC(=O)N[C@H]1C[N@@H+](Cc2nc3ccccc3o2)CC1(C)C ZINC001276561569 1324365576 /nfs/dbraw/zinc/36/55/76/1324365576.db2.gz OGMWSVJXDDOUOY-INIZCTEOSA-N 1 2 343.427 2.357 10 30 EEEELO C=CCOCC(=O)N[C@H]1C[N@H+](Cc2nc3ccccc3o2)CC1(C)C ZINC001276561569 1324365587 /nfs/dbraw/zinc/36/55/87/1324365587.db2.gz OGMWSVJXDDOUOY-INIZCTEOSA-N 1 2 343.427 2.357 10 30 EEEELO C=C[C@](C)(CC)C(=O)N[C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001294807896 1329153797 /nfs/dbraw/zinc/15/37/97/1329153797.db2.gz XIYGMMUVRDZSAW-FZKQIMNGSA-N 1 2 332.448 2.007 10 30 EEEELO C=CC(C)(C)CC(=O)N(C)C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001280895400 1324617811 /nfs/dbraw/zinc/61/78/11/1324617811.db2.gz KPBWLEZHIXMVJA-UHFFFAOYSA-N 1 2 332.448 2.004 10 30 EEEELO C=CCCCC(=O)N(C)C[C@@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001281044405 1324740309 /nfs/dbraw/zinc/74/03/09/1324740309.db2.gz INKZKFVEHMZMOK-CQSZACIVSA-N 1 2 328.416 2.267 10 30 EEEELO C=CCCCC(=O)N1CCC[C@H](NC(=O)CCc2c[nH]c[nH+]2)[C@@H]1C ZINC001281209112 1324877342 /nfs/dbraw/zinc/87/73/42/1324877342.db2.gz MFXJFPKVRRWCKK-HOCLYGCPSA-N 1 2 332.448 2.194 10 30 EEEELO C=CCCCC(=O)N1CCC[C@H](NC(=O)CCc2c[nH+]c[nH]2)[C@@H]1C ZINC001281209112 1324877346 /nfs/dbraw/zinc/87/73/46/1324877346.db2.gz MFXJFPKVRRWCKK-HOCLYGCPSA-N 1 2 332.448 2.194 10 30 EEEELO C=C[C@@H](CC)CC(=O)N[C@@H](CNC(=O)Cn1cc[nH+]c1)C(C)(C)C ZINC001281316064 1324958961 /nfs/dbraw/zinc/95/89/61/1324958961.db2.gz AOCOKLYENNRKOX-GJZGRUSLSA-N 1 2 334.464 2.133 10 30 EEEELO C=C[C@H](CC)CC(=O)N1CCC([C@@H](C)NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001281331134 1324970057 /nfs/dbraw/zinc/97/00/57/1324970057.db2.gz QJWDRCMZRZCIQV-HUUCEWRRSA-N 1 2 346.475 2.298 10 30 EEEELO C#CCCCC(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3nnc(CCC)s3)C[C@H]21 ZINC001276671419 1325028815 /nfs/dbraw/zinc/02/88/15/1325028815.db2.gz YNYRJSXYKYPEDO-QKDCVEJESA-N 1 2 346.500 2.088 10 30 EEEELO C#CCCCC(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3nnc(CCC)s3)C[C@H]21 ZINC001276671419 1325028821 /nfs/dbraw/zinc/02/88/21/1325028821.db2.gz YNYRJSXYKYPEDO-QKDCVEJESA-N 1 2 346.500 2.088 10 30 EEEELO C=C(C)CCC(=O)N[C@@H]1CC[C@@H](C)N(C(=O)CCc2[nH+]ccn2C)C1 ZINC001281411659 1325053509 /nfs/dbraw/zinc/05/35/09/1325053509.db2.gz MFBMGBTXMHTJHU-HZPDHXFCSA-N 1 2 346.475 2.205 10 30 EEEELO C=CCC(C)(C)C(=O)NC[C@H](C)[N@H+](C)[C@@H](C(N)=O)c1ccc(F)cc1 ZINC001282468881 1325728101 /nfs/dbraw/zinc/72/81/01/1325728101.db2.gz NJYXXJFDUIQPCV-XJKSGUPXSA-N 1 2 349.450 2.391 10 30 EEEELO C=CCC(C)(C)C(=O)NC[C@H](C)[N@@H+](C)[C@@H](C(N)=O)c1ccc(F)cc1 ZINC001282468881 1325728104 /nfs/dbraw/zinc/72/81/04/1325728104.db2.gz NJYXXJFDUIQPCV-XJKSGUPXSA-N 1 2 349.450 2.391 10 30 EEEELO COc1cc(C[NH+]2CC([C@@H](C)NC(=O)C#CC(C)(C)C)C2)sn1 ZINC001282706108 1325768694 /nfs/dbraw/zinc/76/86/94/1325768694.db2.gz JFLLYTDHUNFHTK-GFCCVEGCSA-N 1 2 335.473 2.138 10 30 EEEELO C=C(C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001282741642 1325777565 /nfs/dbraw/zinc/77/75/65/1325777565.db2.gz IFEIMAIDFPJVKL-DZUCGIPZSA-N 1 2 344.459 2.193 10 30 EEEELO C=C(C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001282741642 1325777566 /nfs/dbraw/zinc/77/75/66/1325777566.db2.gz IFEIMAIDFPJVKL-DZUCGIPZSA-N 1 2 344.459 2.193 10 30 EEEELO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](CC(=O)NC(CC)CC)CC2(C)C)C1 ZINC001282823157 1325798322 /nfs/dbraw/zinc/79/83/22/1325798322.db2.gz VDLHKDGTBXPAFH-MRXNPFEDSA-N 1 2 349.519 2.474 10 30 EEEELO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](CC(=O)NC(CC)CC)CC2(C)C)C1 ZINC001282823157 1325798326 /nfs/dbraw/zinc/79/83/26/1325798326.db2.gz VDLHKDGTBXPAFH-MRXNPFEDSA-N 1 2 349.519 2.474 10 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1190738088 /nfs/dbraw/zinc/73/80/88/1190738088.db2.gz PXPNFPZYAWQHBY-DNVCBOLYSA-N 1 2 344.459 2.352 10 30 EEEELO C=C[C@](C)(CC)C(=O)NC[C@H]1CC[N@H+]1Cc1cc(=O)[nH]c(C2CC2)n1 ZINC001483678221 1190738090 /nfs/dbraw/zinc/73/80/90/1190738090.db2.gz PXPNFPZYAWQHBY-DNVCBOLYSA-N 1 2 344.459 2.352 10 30 EEEELO COCC#CC[N@@H+]1CC[C@H]1CNC(=O)C(C)(C)c1ccccc1Cl ZINC001483692622 1190766481 /nfs/dbraw/zinc/76/64/81/1190766481.db2.gz DEYIUXZUWPCUHP-HNNXBMFYSA-N 1 2 348.874 2.458 10 30 EEEELO COCC#CC[N@H+]1CC[C@H]1CNC(=O)C(C)(C)c1ccccc1Cl ZINC001483692622 1190766483 /nfs/dbraw/zinc/76/64/83/1190766483.db2.gz DEYIUXZUWPCUHP-HNNXBMFYSA-N 1 2 348.874 2.458 10 30 EEEELO C=C[C@@](C)(O)CC(=O)NC1(C)CC[NH+](Cc2ncc(CC)o2)CC1 ZINC001483965272 1191134034 /nfs/dbraw/zinc/13/40/34/1191134034.db2.gz CUSXUHJMQKGYOF-GOSISDBHSA-N 1 2 335.448 2.035 10 30 EEEELO C#CCN(C(=O)CC(C)C)C1CC[NH+](Cc2ccn(CC)n2)CC1 ZINC001483978772 1191139439 /nfs/dbraw/zinc/13/94/39/1191139439.db2.gz HFZMCEDMOURCRN-UHFFFAOYSA-N 1 2 330.476 2.375 10 30 EEEELO C#CCN(C(=O)[C@H]1CCC1(F)F)C1CC[NH+](Cc2ccon2)CC1 ZINC001483985102 1191142461 /nfs/dbraw/zinc/14/24/61/1191142461.db2.gz KQUNILJJCJSXCJ-OAHLLOKOSA-N 1 2 337.370 2.146 10 30 EEEELO C#Cc1cccc(NC(=O)C[N@H+]2CC[C@@](C)(NC(=O)/C(C)=C/C)C2)c1 ZINC001484039422 1191172356 /nfs/dbraw/zinc/17/23/56/1191172356.db2.gz SDPVGFFXUGCQNO-NINHTKBVSA-N 1 2 339.439 2.153 10 30 EEEELO C#Cc1cccc(NC(=O)C[N@@H+]2CC[C@@](C)(NC(=O)/C(C)=C/C)C2)c1 ZINC001484039422 1191172357 /nfs/dbraw/zinc/17/23/57/1191172357.db2.gz SDPVGFFXUGCQNO-NINHTKBVSA-N 1 2 339.439 2.153 10 30 EEEELO Cc1ccc(CCC[N@@H+]2CCOC[C@H]2CNC(=O)C#CC2CC2)cc1 ZINC001484593052 1191430114 /nfs/dbraw/zinc/43/01/14/1191430114.db2.gz TZNSXJUJWMJNHT-HXUWFJFHSA-N 1 2 340.467 2.158 10 30 EEEELO Cc1ccc(CCC[N@H+]2CCOC[C@H]2CNC(=O)C#CC2CC2)cc1 ZINC001484593052 1191430116 /nfs/dbraw/zinc/43/01/16/1191430116.db2.gz TZNSXJUJWMJNHT-HXUWFJFHSA-N 1 2 340.467 2.158 10 30 EEEELO C=CCCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ncnc2ccsc21 ZINC001484596099 1191436353 /nfs/dbraw/zinc/43/63/53/1191436353.db2.gz YZFCYZBECYUAQM-CYBMUJFWSA-N 1 2 346.456 2.088 10 30 EEEELO C=CCCC[N@H+]1CCOC[C@H]1CNC(=O)c1ncnc2ccsc21 ZINC001484596099 1191436354 /nfs/dbraw/zinc/43/63/54/1191436354.db2.gz YZFCYZBECYUAQM-CYBMUJFWSA-N 1 2 346.456 2.088 10 30 EEEELO C=CC(C)(C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2cnn(CC)n2)CC1 ZINC001484715289 1191479633 /nfs/dbraw/zinc/47/96/33/1191479633.db2.gz MMNISORXFSKMFO-OAHLLOKOSA-N 1 2 333.480 2.371 10 30 EEEELO C=CC(C)(C)CC(=O)N[C@@H]1CCC[N@H+](Cc2cnn(CC)n2)CC1 ZINC001484715289 1191479635 /nfs/dbraw/zinc/47/96/35/1191479635.db2.gz MMNISORXFSKMFO-OAHLLOKOSA-N 1 2 333.480 2.371 10 30 EEEELO C=C(C)CCC(=O)N1CCC[C@]2(CC[N@H+](Cc3nnc(C)[nH]3)C2)C1 ZINC001484827712 1191536341 /nfs/dbraw/zinc/53/63/41/1191536341.db2.gz UAOHRLSTZUWHJW-GOSISDBHSA-N 1 2 331.464 2.284 10 30 EEEELO C=C(C)CCC(=O)N1CCC[C@]2(CC[N@@H+](Cc3nnc(C)[nH]3)C2)C1 ZINC001484827712 1191536342 /nfs/dbraw/zinc/53/63/42/1191536342.db2.gz UAOHRLSTZUWHJW-GOSISDBHSA-N 1 2 331.464 2.284 10 30 EEEELO C=CCOCC(=O)NC[C@@H]1Cc2ccccc2C[N@H+]1C/C=C/Cl ZINC001484822346 1191540826 /nfs/dbraw/zinc/54/08/26/1191540826.db2.gz PAEYCWKWIXSJTM-JZLODUJNSA-N 1 2 334.847 2.485 10 30 EEEELO C=CCOCC(=O)NC[C@@H]1Cc2ccccc2C[N@@H+]1C/C=C/Cl ZINC001484822346 1191540827 /nfs/dbraw/zinc/54/08/27/1191540827.db2.gz PAEYCWKWIXSJTM-JZLODUJNSA-N 1 2 334.847 2.485 10 30 EEEELO CC(C)n1ccc(C[N@H+](C)C[C@@H]2CCCN2C(=O)CSCC#N)n1 ZINC001485046497 1191629317 /nfs/dbraw/zinc/62/93/17/1191629317.db2.gz DNZRLWQPLWSTOP-INIZCTEOSA-N 1 2 349.504 2.144 10 30 EEEELO CC(C)n1ccc(C[N@@H+](C)C[C@@H]2CCCN2C(=O)CSCC#N)n1 ZINC001485046497 1191629319 /nfs/dbraw/zinc/62/93/19/1191629319.db2.gz DNZRLWQPLWSTOP-INIZCTEOSA-N 1 2 349.504 2.144 10 30 EEEELO C#Cc1ccc(C(=O)N[C@H](C)[C@H](C)[NH2+]Cc2nc(C3CC3)no2)cc1 ZINC001485178788 1191678235 /nfs/dbraw/zinc/67/82/35/1191678235.db2.gz COMOZMOYBYNLTI-QWHCGFSZSA-N 1 2 338.411 2.225 10 30 EEEELO C=CCCC(=O)NC[C@@H](C)[N@H+](C)CC(=O)N1CCCc2ccccc21 ZINC001485284774 1191716566 /nfs/dbraw/zinc/71/65/66/1191716566.db2.gz RWOSJCIUSVPIMG-MRXNPFEDSA-N 1 2 343.471 2.369 10 30 EEEELO C=CCCC(=O)NC[C@@H](C)[N@@H+](C)CC(=O)N1CCCc2ccccc21 ZINC001485284774 1191716568 /nfs/dbraw/zinc/71/65/68/1191716568.db2.gz RWOSJCIUSVPIMG-MRXNPFEDSA-N 1 2 343.471 2.369 10 30 EEEELO C#Cc1cccc(NC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]2CC2(C)C)c1 ZINC001485296928 1191724321 /nfs/dbraw/zinc/72/43/21/1191724321.db2.gz SQEWRDQGDXQOTB-YOEHRIQHSA-N 1 2 341.455 2.089 10 30 EEEELO C#Cc1cccc(NC(=O)C[N@H+](C)[C@@H](C)CNC(=O)[C@@H]2CC2(C)C)c1 ZINC001485296928 1191724322 /nfs/dbraw/zinc/72/43/22/1191724322.db2.gz SQEWRDQGDXQOTB-YOEHRIQHSA-N 1 2 341.455 2.089 10 30 EEEELO C#CCO[C@@H](C)C(=O)NCC1=CC[N@H+](Cc2nc(C)sc2C)CC1 ZINC001486506906 1194016511 /nfs/dbraw/zinc/01/65/11/1194016511.db2.gz OUYKCBBYUMRLEQ-ZDUSSCGKSA-N 1 2 347.484 2.047 10 30 EEEELO C#CCO[C@@H](C)C(=O)NCC1=CC[N@@H+](Cc2nc(C)sc2C)CC1 ZINC001486506906 1194016514 /nfs/dbraw/zinc/01/65/14/1194016514.db2.gz OUYKCBBYUMRLEQ-ZDUSSCGKSA-N 1 2 347.484 2.047 10 30 EEEELO C=CCC(C)(C)C(=O)N(C)C[C@@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001486566997 1194080963 /nfs/dbraw/zinc/08/09/63/1194080963.db2.gz OAMPYTJLATVLKH-AWEZNQCLSA-N 1 2 332.448 2.004 10 30 EEEELO C=C[C@](C)(CC)C(=O)N1CCC[C@@H]1CN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001486570238 1194088362 /nfs/dbraw/zinc/08/83/62/1194088362.db2.gz RDJBWXLKCHFBMG-DNVCBOLYSA-N 1 2 346.475 2.312 10 30 EEEELO C#Cc1ccccc1CC(=O)N(C)C[C@H]1CC[N@H+]1[C@H](C)c1cnccn1 ZINC001691675379 1197474413 /nfs/dbraw/zinc/47/44/13/1197474413.db2.gz YSQQCRFCBFKORO-VQIMIIECSA-N 1 2 348.450 2.294 10 30 EEEELO C#Cc1ccccc1CC(=O)N(C)C[C@H]1CC[N@@H+]1[C@H](C)c1cnccn1 ZINC001691675379 1197474415 /nfs/dbraw/zinc/47/44/15/1197474415.db2.gz YSQQCRFCBFKORO-VQIMIIECSA-N 1 2 348.450 2.294 10 30 EEEELO C=CC[C@@H](C(=O)OC)[N@@H+]1CCc2cc(OC)c(OC)c(OC)c2CC1 ZINC000878203441 1200321017 /nfs/dbraw/zinc/32/10/17/1200321017.db2.gz PFKDCIYFQAOUFC-HNNXBMFYSA-N 1 2 349.427 2.231 10 30 EEEELO C=CC[C@@H](C(=O)OC)[N@H+]1CCc2cc(OC)c(OC)c(OC)c2CC1 ZINC000878203441 1200321026 /nfs/dbraw/zinc/32/10/26/1200321026.db2.gz PFKDCIYFQAOUFC-HNNXBMFYSA-N 1 2 349.427 2.231 10 30 EEEELO C=C(Cl)C[C@@H](NC(=O)c1cc(-n2cc[nH+]c2)ccn1)C(=O)OCC ZINC000870030992 1200418288 /nfs/dbraw/zinc/41/82/88/1200418288.db2.gz GSSVFVKYRTXCDQ-CQSZACIVSA-N 1 2 348.790 2.071 10 30 EEEELO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(CCC)[C@H]1CCc2ccccc2C1 ZINC000884101923 1202232590 /nfs/dbraw/zinc/23/25/90/1202232590.db2.gz LZROVTIFJCAZDJ-ROUUACIJSA-N 1 2 344.455 2.229 10 30 EEEELO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC(C)(C)Cc1ccccc1Cl ZINC000884124300 1202238122 /nfs/dbraw/zinc/23/81/22/1202238122.db2.gz UDDOAGDUYWLRJM-AWEZNQCLSA-N 1 2 338.835 2.224 10 30 EEEELO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1nc(CC(C)(C)C)cs1 ZINC000884318113 1202291861 /nfs/dbraw/zinc/29/18/61/1202291861.db2.gz NOFGVWMPXNNOIR-NSHDSACASA-N 1 2 325.434 2.117 10 30 EEEELO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC1(Cc2ccccc2)CCCC1 ZINC000884331395 1202295183 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C#Cc1ccc(C(=O)N[C@@H](C)C[N@@H+](C)CC=C(Cl)Cl)nc1 ZINC001275697084 1205488449 /nfs/dbraw/zinc/48/84/49/1205488449.db2.gz DNBSUYSZEPGEAV-NSHDSACASA-N 1 2 326.227 2.432 10 30 EEEELO C#CC[NH+]1CCC(NC(=O)c2cccc(C(F)(F)F)c2O)CC1 ZINC000928649486 1206407134 /nfs/dbraw/zinc/40/71/34/1206407134.db2.gz NNZMFEHHALAWBB-UHFFFAOYSA-N 1 2 326.318 2.238 10 30 EEEELO C#CC1(O)CC[NH+]([C@@H](C)C(=O)Nc2nc3ccc(F)cc3s2)CC1 ZINC000931146772 1206611030 /nfs/dbraw/zinc/61/10/30/1206611030.db2.gz REULXUVVCWDTSA-NSHDSACASA-N 1 2 347.415 2.223 10 30 EEEELO C/C(=C/C(=O)N[C@H](CCC#N)c1ccccc1)C[NH+]1CCOCC1 ZINC000901171393 1235313121 /nfs/dbraw/zinc/31/31/21/1235313121.db2.gz HGCNKWKVVZNSQC-HRYDCMBCSA-N 1 2 327.428 2.426 10 30 EEEELO C[C@H]([NH2+]Cc1ccccc1S(=O)(=O)N(C)C)c1cc(C#N)ccn1 ZINC000902736674 1238353881 /nfs/dbraw/zinc/35/38/81/1238353881.db2.gz JXESKNXBWCNMLA-ZDUSSCGKSA-N 1 2 344.440 2.054 10 30 EEEELO C=CC(C)(C)CC(=O)N1CCC[C@@H]2C[N@H+](Cc3cnon3)CC[C@H]21 ZINC001490982430 1258535798 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ZINC001481470047 1181495345 /nfs/dbraw/zinc/49/53/45/1181495345.db2.gz BUWMOQUSTFEKBZ-IBGZPJMESA-N 1 2 345.462 2.118 10 30 EEEELO COCC#CC[N@@H+]1CCC[C@@H](NC(=O)c2cnc(C(C)C)s2)C1 ZINC001481531079 1181657783 /nfs/dbraw/zinc/65/77/83/1181657783.db2.gz TWBVSZJXSOGSEQ-CQSZACIVSA-N 1 2 335.473 2.111 10 30 EEEELO COCC#CC[N@H+]1CCC[C@@H](NC(=O)c2cnc(C(C)C)s2)C1 ZINC001481531079 1181657785 /nfs/dbraw/zinc/65/77/85/1181657785.db2.gz TWBVSZJXSOGSEQ-CQSZACIVSA-N 1 2 335.473 2.111 10 30 EEEELO C=C1CC(C)(C(=O)N(C)CC[N@@H+](C)CC(=O)NC2CCC(C)CC2)C1 ZINC001268248897 1182075628 /nfs/dbraw/zinc/07/56/28/1182075628.db2.gz KTTKADHDIILALX-UHFFFAOYSA-N 1 2 349.519 2.428 10 30 EEEELO C=C1CC(C)(C(=O)N(C)CC[N@H+](C)CC(=O)NC2CCC(C)CC2)C1 ZINC001268248897 1182075632 /nfs/dbraw/zinc/07/56/32/1182075632.db2.gz KTTKADHDIILALX-UHFFFAOYSA-N 1 2 349.519 2.428 10 30 EEEELO C=CCCC(=O)N(C)C[C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001745730277 1182492602 /nfs/dbraw/zinc/49/26/02/1182492602.db2.gz 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C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)CCc2cccc(F)c2F)C1 ZINC001482209865 1184056190 /nfs/dbraw/zinc/05/61/90/1184056190.db2.gz LWEKIPQNEJTZOB-HNNXBMFYSA-N 1 2 338.398 2.291 10 30 EEEELO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)CCc2cccc(F)c2F)C1 ZINC001482209865 1184056196 /nfs/dbraw/zinc/05/61/96/1184056196.db2.gz LWEKIPQNEJTZOB-HNNXBMFYSA-N 1 2 338.398 2.291 10 30 EEEELO C=CC(C)(C)C(=O)NC[C@H]1CC[N@H+]1[C@H](C)C(=O)N1CCC(C)CC1 ZINC001269271727 1184123906 /nfs/dbraw/zinc/12/39/06/1184123906.db2.gz CLUBMGOPFOJRCN-HZPDHXFCSA-N 1 2 335.492 2.036 10 30 EEEELO C=CC(C)(C)C(=O)NC[C@H]1CC[N@@H+]1[C@H](C)C(=O)N1CCC(C)CC1 ZINC001269271727 1184123911 /nfs/dbraw/zinc/12/39/11/1184123911.db2.gz CLUBMGOPFOJRCN-HZPDHXFCSA-N 1 2 335.492 2.036 10 30 EEEELO C=C[C@@H](CC)CC(=O)NC[C@@H]1CC[N@@H+]1Cc1cccc(C(N)=O)c1 ZINC001269278600 1184131821 /nfs/dbraw/zinc/13/18/21/1184131821.db2.gz LMECPJRUETUEIS-YOEHRIQHSA-N 1 2 329.444 2.078 10 30 EEEELO C=C[C@@H](CC)CC(=O)NC[C@@H]1CC[N@H+]1Cc1cccc(C(N)=O)c1 ZINC001269278600 1184131824 /nfs/dbraw/zinc/13/18/24/1184131824.db2.gz LMECPJRUETUEIS-YOEHRIQHSA-N 1 2 329.444 2.078 10 30 EEEELO C=CCCCC(=O)NC[C@@H]1CC[N@H+]1Cc1cc(-c2cnn(C)c2)no1 ZINC001269287591 1184140953 /nfs/dbraw/zinc/14/09/53/1184140953.db2.gz WAPWHMBNOZVWSY-HNNXBMFYSA-N 1 2 343.431 2.122 10 30 EEEELO C=CCCCC(=O)NC[C@@H]1CC[N@@H+]1Cc1cc(-c2cnn(C)c2)no1 ZINC001269287591 1184140956 /nfs/dbraw/zinc/14/09/56/1184140956.db2.gz WAPWHMBNOZVWSY-HNNXBMFYSA-N 1 2 343.431 2.122 10 30 EEEELO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CC[C@H](C(C)C)CC1 ZINC001269326534 1184171567 /nfs/dbraw/zinc/17/15/67/1184171567.db2.gz KTJIZNVZDYVSAO-BRSBDYLESA-N 1 2 349.519 2.330 10 30 EEEELO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CC[C@H](C(C)C)CC1 ZINC001269326534 1184171570 /nfs/dbraw/zinc/17/15/70/1184171570.db2.gz KTJIZNVZDYVSAO-BRSBDYLESA-N 1 2 349.519 2.330 10 30 EEEELO C=C[C@@](C)(O)CC(=O)N(CC)[C@@H]1CC[N@H+](Cc2nc(C)oc2C)C1 ZINC001269324996 1184172473 /nfs/dbraw/zinc/17/24/73/1184172473.db2.gz SXEHIYKUYOWNKU-CRAIPNDOSA-N 1 2 335.448 2.041 10 30 EEEELO C=C[C@@](C)(O)CC(=O)N(CC)[C@@H]1CC[N@@H+](Cc2nc(C)oc2C)C1 ZINC001269324996 1184172475 /nfs/dbraw/zinc/17/24/75/1184172475.db2.gz SXEHIYKUYOWNKU-CRAIPNDOSA-N 1 2 335.448 2.041 10 30 EEEELO COCC#CC[N@@H+]1CC[C@H]1CNC(=O)CC[C@@H]1CCc2ccccc21 ZINC001269349496 1184196539 /nfs/dbraw/zinc/19/65/39/1184196539.db2.gz CFSJQDUTCMRWJL-OALUTQOASA-N 1 2 340.467 2.337 10 30 EEEELO COCC#CC[N@H+]1CC[C@H]1CNC(=O)CC[C@@H]1CCc2ccccc21 ZINC001269349496 1184196541 /nfs/dbraw/zinc/19/65/41/1184196541.db2.gz CFSJQDUTCMRWJL-OALUTQOASA-N 1 2 340.467 2.337 10 30 EEEELO CC(C)C[C@H](C(=O)N1CCC[C@@H](CCNCC#N)C1)n1cc[nH+]c1 ZINC001269742928 1184581211 /nfs/dbraw/zinc/58/12/11/1184581211.db2.gz XHAUPQAZYVODNK-DLBZAZTESA-N 1 2 331.464 2.212 10 30 EEEELO CC#CCCCC(=O)N1CCC[C@H]1C[NH2+]Cc1nc(C(C)C)no1 ZINC001270112867 1184857385 /nfs/dbraw/zinc/85/73/85/1184857385.db2.gz LBJVCKPUKCKETI-HNNXBMFYSA-N 1 2 332.448 2.467 10 30 EEEELO C=C(Br)C[N@H+]1CC[C@](C)(NC(=O)CCCCOC)C1 ZINC001270556668 1185171605 /nfs/dbraw/zinc/17/16/05/1185171605.db2.gz FEJIOVBRZLXNRC-AWEZNQCLSA-N 1 2 333.270 2.292 10 30 EEEELO C=C(Br)C[N@@H+]1CC[C@](C)(NC(=O)CCCCOC)C1 ZINC001270556668 1185171607 /nfs/dbraw/zinc/17/16/07/1185171607.db2.gz FEJIOVBRZLXNRC-AWEZNQCLSA-N 1 2 333.270 2.292 10 30 EEEELO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)CCc2ccc3[nH]ccc3c2)C1 ZINC001270664014 1185283313 /nfs/dbraw/zinc/28/33/13/1185283313.db2.gz CIPOJRLVLHBBBN-GOSISDBHSA-N 1 2 341.455 2.494 10 30 EEEELO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)CCc2ccc3[nH]ccc3c2)C1 ZINC001270664014 1185283318 /nfs/dbraw/zinc/28/33/18/1185283318.db2.gz CIPOJRLVLHBBBN-GOSISDBHSA-N 1 2 341.455 2.494 10 30 EEEELO C=C(C)[C@H](CC(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2Cc1cnon1)OCC ZINC001272024922 1187044621 /nfs/dbraw/zinc/04/46/21/1187044621.db2.gz SCEUZRASCAEBBY-ULQDDVLXSA-N 1 2 348.447 2.006 10 30 EEEELO C=C(C)[C@H](CC(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2Cc1cnon1)OCC ZINC001272024922 1187044630 /nfs/dbraw/zinc/04/46/30/1187044630.db2.gz SCEUZRASCAEBBY-ULQDDVLXSA-N 1 2 348.447 2.006 10 30 EEEELO C=CC(C)(C)C(=O)N(C)C[C@@H]1CC[N@H+]1[C@H](C)C(=O)NC1CCCC1 ZINC001691651744 1193497791 /nfs/dbraw/zinc/49/77/91/1193497791.db2.gz CIPCQXYAUUAQAR-ZBFHGGJFSA-N 1 2 335.492 2.179 10 30 EEEELO C=CC(C)(C)C(=O)N(C)C[C@@H]1CC[N@@H+]1[C@H](C)C(=O)NC1CCCC1 ZINC001691651744 1193497792 /nfs/dbraw/zinc/49/77/92/1193497792.db2.gz CIPCQXYAUUAQAR-ZBFHGGJFSA-N 1 2 335.492 2.179 10 30 EEEELO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)C(C)(C)c1ccc(F)cc1 ZINC001272901862 1193597185 /nfs/dbraw/zinc/59/71/85/1193597185.db2.gz OLUHJTHRHPKYAY-KRWDZBQOSA-N 1 2 334.435 2.496 10 30 EEEELO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)C(C)(C)c1ccc(F)cc1 ZINC001272901862 1193597186 /nfs/dbraw/zinc/59/71/86/1193597186.db2.gz OLUHJTHRHPKYAY-KRWDZBQOSA-N 1 2 334.435 2.496 10 30 EEEELO N#Cc1c2c(cn(C[N@@H+]3C[C@@H]4C[C@]4(c4ccccc4)C3)c1=O)CCC2 ZINC000905683281 1189866917 /nfs/dbraw/zinc/86/69/17/1189866917.db2.gz UKHYUQGEPUKULY-LAUBAEHRSA-N 1 2 331.419 2.440 10 30 EEEELO N#Cc1c2c(cn(C[N@H+]3C[C@@H]4C[C@]4(c4ccccc4)C3)c1=O)CCC2 ZINC000905683281 1189866923 /nfs/dbraw/zinc/86/69/23/1189866923.db2.gz UKHYUQGEPUKULY-LAUBAEHRSA-N 1 2 331.419 2.440 10 30 EEEELO C#Cc1ccccc1CC(=O)N[C@@H](C)C[NH2+]Cc1nnc(C(C)C)o1 ZINC001483287215 1190311226 /nfs/dbraw/zinc/31/12/26/1190311226.db2.gz NNYFCHBSWZPBMU-AWEZNQCLSA-N 1 2 340.427 2.011 10 30 EEEELO CCc1nc(C[N@@H+]2CC[C@]3(NC(=O)[C@H](C)C#N)CCC[C@@H]23)cs1 ZINC001486136754 1193692229 /nfs/dbraw/zinc/69/22/29/1193692229.db2.gz CKCKBJYCAOGYFM-SUYBPPKGSA-N 1 2 332.473 2.478 10 30 EEEELO CCc1nc(C[N@H+]2CC[C@]3(NC(=O)[C@H](C)C#N)CCC[C@@H]23)cs1 ZINC001486136754 1193692230 /nfs/dbraw/zinc/69/22/30/1193692230.db2.gz CKCKBJYCAOGYFM-SUYBPPKGSA-N 1 2 332.473 2.478 10 30 EEEELO CC[C@@H]1C[C@H](C(=O)N2CCC([N@H+](CC#N)CC3CC3)CC2)CCO1 ZINC001483817130 1191045465 /nfs/dbraw/zinc/04/54/65/1191045465.db2.gz CNXJHQPSEMKPPZ-SJLPKXTDSA-N 1 2 333.476 2.418 10 30 EEEELO CC[C@@H]1C[C@H](C(=O)N2CCC([N@@H+](CC#N)CC3CC3)CC2)CCO1 ZINC001483817130 1191045466 /nfs/dbraw/zinc/04/54/66/1191045466.db2.gz CNXJHQPSEMKPPZ-SJLPKXTDSA-N 1 2 333.476 2.418 10 30 EEEELO C=C[C@H](CC)CC(=O)NCC1(C)CC[NH+](Cc2nncn2C)CC1 ZINC001484140578 1191236545 /nfs/dbraw/zinc/23/65/45/1191236545.db2.gz DPUBXFGEQMIGLM-OAHLLOKOSA-N 1 2 333.480 2.136 10 30 EEEELO C#CCC[N@H+]1CCOC[C@H]1CNC(=O)C[C@H](C)c1ccc(F)cc1 ZINC001484610456 1191441350 /nfs/dbraw/zinc/44/13/50/1191441350.db2.gz RZMAOGPIEBGSHY-MAUKXSAKSA-N 1 2 332.419 2.160 10 30 EEEELO C#CCC[N@@H+]1CCOC[C@H]1CNC(=O)C[C@H](C)c1ccc(F)cc1 ZINC001484610456 1191441351 /nfs/dbraw/zinc/44/13/51/1191441351.db2.gz RZMAOGPIEBGSHY-MAUKXSAKSA-N 1 2 332.419 2.160 10 30 EEEELO C=C(C)CCC(=O)N1CC[C@H](N2CC[NH+](C[C@@H](F)CC)CC2)C1 ZINC001484702324 1191473182 /nfs/dbraw/zinc/47/31/82/1191473182.db2.gz WXEQJAKYPGTCKF-IRXDYDNUSA-N 1 2 325.472 2.309 10 30 EEEELO CC(C)C#CC(=O)N[C@@H]1CC[N@H+](Cc2cn(C(C)C)nn2)CC1(C)C ZINC001484935056 1191579089 /nfs/dbraw/zinc/57/90/89/1191579089.db2.gz OIDDKUCUVXLSBO-QGZVFWFLSA-N 1 2 345.491 2.235 10 30 EEEELO CC(C)C#CC(=O)N[C@@H]1CC[N@@H+](Cc2cn(C(C)C)nn2)CC1(C)C ZINC001484935056 1191579091 /nfs/dbraw/zinc/57/90/91/1191579091.db2.gz OIDDKUCUVXLSBO-QGZVFWFLSA-N 1 2 345.491 2.235 10 30 EEEELO C#Cc1ccc(C(=O)N[C@@H](C)[C@H](C)[NH2+]Cc2nc(C3CC3)no2)cc1 ZINC001485178789 1191678478 /nfs/dbraw/zinc/67/84/78/1191678478.db2.gz COMOZMOYBYNLTI-STQMWFEESA-N 1 2 338.411 2.225 10 30 EEEELO C[C@H](CNC(=O)C#CC1CC1)[N@H+](C)[C@H](C)c1nc(-c2ccco2)no1 ZINC001485302763 1191734910 /nfs/dbraw/zinc/73/49/10/1191734910.db2.gz FNWHIIYVQSPKCV-CHWSQXEVSA-N 1 2 342.399 2.241 10 30 EEEELO C[C@H](CNC(=O)C#CC1CC1)[N@@H+](C)[C@H](C)c1nc(-c2ccco2)no1 ZINC001485302763 1191734911 /nfs/dbraw/zinc/73/49/11/1191734911.db2.gz FNWHIIYVQSPKCV-CHWSQXEVSA-N 1 2 342.399 2.241 10 30 EEEELO C=CC(C)(C)C(=O)NC1(CCO)C[NH+](CCOc2ccc(C)cc2)C1 ZINC001485413400 1191779698 /nfs/dbraw/zinc/77/96/98/1191779698.db2.gz LRUVMGOLUHVNJB-UHFFFAOYSA-N 1 2 346.471 2.139 10 30 EEEELO C=C(Cl)C[N@H+]1CC=C(CNC(=O)Cc2ncccc2OC)CC1 ZINC001486513736 1194032865 /nfs/dbraw/zinc/03/28/65/1194032865.db2.gz LYDUSMUQHACMLM-UHFFFAOYSA-N 1 2 335.835 2.134 10 30 EEEELO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)Cc2ncccc2OC)CC1 ZINC001486513736 1194032866 /nfs/dbraw/zinc/03/28/66/1194032866.db2.gz LYDUSMUQHACMLM-UHFFFAOYSA-N 1 2 335.835 2.134 10 30 EEEELO C=C(Cl)C[N@H+]1CC=C(CNC(=O)CCC(=O)N(CC)CC)CC1 ZINC001486520550 1194042694 /nfs/dbraw/zinc/04/26/94/1194042694.db2.gz DWPVHYMJDNMVLM-UHFFFAOYSA-N 1 2 341.883 2.136 10 30 EEEELO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)CCC(=O)N(CC)CC)CC1 ZINC001486520550 1194042698 /nfs/dbraw/zinc/04/26/98/1194042698.db2.gz DWPVHYMJDNMVLM-UHFFFAOYSA-N 1 2 341.883 2.136 10 30 EEEELO C[C@@H]1CCC[C@H](C2C[NH+](CCS(=O)(=O)c3ccc(C#N)cn3)C2)C1 ZINC000871990568 1198009647 /nfs/dbraw/zinc/00/96/47/1198009647.db2.gz ALNGWQOSZWFIDV-ZBFHGGJFSA-N 1 2 347.484 2.485 10 30 EEEELO C[C@@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1cccc(C#N)c1O ZINC000872118710 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2.143 10 30 EEEELO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1CCC(C)(C)c2ccccc21 ZINC000884111822 1202235098 /nfs/dbraw/zinc/23/50/98/1202235098.db2.gz UUFJYWMHRYCDOD-HOTGVXAUSA-N 1 2 330.428 2.362 10 30 EEEELO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC1(c2cccc(C)c2)CCCC1 ZINC000884121418 1202237365 /nfs/dbraw/zinc/23/73/65/1202237365.db2.gz OFPWEYQRXVDCPF-INIZCTEOSA-N 1 2 330.428 2.327 10 30 EEEELO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC2(CCCC2)c2ccccc21 ZINC000884144316 1202241573 /nfs/dbraw/zinc/24/15/73/1202241573.db2.gz GYOQCWDHXHIAPA-HNNXBMFYSA-N 1 2 328.412 2.292 10 30 EEEELO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1ccccc1N(C)C1CCCC1 ZINC000884232701 1202271887 /nfs/dbraw/zinc/27/18/87/1202271887.db2.gz YMROIUQIUVEKOM-HNNXBMFYSA-N 1 2 345.443 2.451 10 30 EEEELO N#Cc1ccc(C[NH2+]C/C=C\CNC(=O)C(F)C(F)(F)F)s1 ZINC001274048036 1204345130 /nfs/dbraw/zinc/34/51/30/1204345130.db2.gz HSYAVYRDJAFFAR-RFMOXSJOSA-N 1 2 335.326 2.282 10 30 EEEELO N#Cc1ccc(C[NH2+]C/C=C\CNC(=O)[C@@H](F)C(F)(F)F)s1 ZINC001274048036 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341.459 2.228 10 30 EEEELO C=C(C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001522155516 1119333088 /nfs/dbraw/zinc/33/30/88/1119333088.db2.gz IFEIMAIDFPJVKL-SIXLDLHFSA-N 1 2 344.459 2.193 10 30 EEEELO C=C(C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001522155516 1119333091 /nfs/dbraw/zinc/33/30/91/1119333091.db2.gz IFEIMAIDFPJVKL-SIXLDLHFSA-N 1 2 344.459 2.193 10 30 EEEELO C=C(C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CCCn1cc[nH+]c1 ZINC001522156819 1119333916 /nfs/dbraw/zinc/33/39/16/1119333916.db2.gz OKKYALFSMBQMSR-IKGGRYGDSA-N 1 2 344.459 2.268 10 30 EEEELO C=C(C)C[C@H](C)C(=O)NC1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001523239511 1119717358 /nfs/dbraw/zinc/71/73/58/1119717358.db2.gz ISQYZBIUDCTMEF-HNNXBMFYSA-N 1 2 346.475 2.062 10 30 EEEELO C=CCC1(C(=O)N2CCC[C@H](NC(=O)CCc3c[nH]c[nH+]3)C2)CCC1 ZINC001523325438 1119754157 /nfs/dbraw/zinc/75/41/57/1119754157.db2.gz GLMJCWRVBAOUMQ-INIZCTEOSA-N 1 2 344.459 2.196 10 30 EEEELO C=CCC1(C(=O)N2CCC[C@H](NC(=O)CCc3c[nH+]c[nH]3)C2)CCC1 ZINC001523325438 1119754161 /nfs/dbraw/zinc/75/41/61/1119754161.db2.gz GLMJCWRVBAOUMQ-INIZCTEOSA-N 1 2 344.459 2.196 10 30 EEEELO C=CC(C)(C)CC(=O)N(C)CCCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001523506420 1119804878 /nfs/dbraw/zinc/80/48/78/1119804878.db2.gz YSJRHOOFZQDOBA-HNNXBMFYSA-N 1 2 346.475 2.013 10 30 EEEELO C=C[C@@](C)(CC)C(=O)N[C@@H]1[C@H]2CN(C(=O)C[C@H](C)n3cc[nH+]c3)C[C@H]21 ZINC001526270540 1120483848 /nfs/dbraw/zinc/48/38/48/1120483848.db2.gz RXQASVGUTJLXQY-LSIDRNEPSA-N 1 2 344.459 2.010 10 30 EEEELO C=CCCC(=O)NC[C@@H]1CCC[C@@H]1NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001533113164 1123088865 /nfs/dbraw/zinc/08/88/65/1123088865.db2.gz YPCLQNASWXREJE-HOTGVXAUSA-N 1 2 346.475 2.294 10 30 EEEELO C=C(C)C[C@H](C)C(=O)NC[C@@H](NC(=O)Cc1[nH]cc[nH+]1)C1CCCC1 ZINC001536704207 1123781920 /nfs/dbraw/zinc/78/19/20/1123781920.db2.gz GMHNOWANNBZIES-GOEBONIOSA-N 1 2 346.475 2.346 10 30 EEEELO C=CCC1(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(OC)nn3)C2)CCCC1 ZINC001567884751 1124157153 /nfs/dbraw/zinc/15/71/53/1124157153.db2.gz GMKJXYBZSOUBFP-HNNXBMFYSA-N 1 2 344.459 2.312 10 30 EEEELO C=CCC1(C(=O)N[C@H]2CC[N@H+](Cc3ccc(OC)nn3)C2)CCCC1 ZINC001567884751 1124157160 /nfs/dbraw/zinc/15/71/60/1124157160.db2.gz GMKJXYBZSOUBFP-HNNXBMFYSA-N 1 2 344.459 2.312 10 30 EEEELO CCOCCC(=O)N(C)[C@@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001567907697 1124169802 /nfs/dbraw/zinc/16/98/02/1124169802.db2.gz WVQISSICHNWTJB-QGZVFWFLSA-N 1 2 333.407 2.157 10 30 EEEELO CCOCCC(=O)N(C)[C@@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001567907697 1124169805 /nfs/dbraw/zinc/16/98/05/1124169805.db2.gz WVQISSICHNWTJB-QGZVFWFLSA-N 1 2 333.407 2.157 10 30 EEEELO CCCCc1nc(C[NH2+]CC2(NC(=O)C#CC3CC3)CCCC2)no1 ZINC001567998685 1124223654 /nfs/dbraw/zinc/22/36/54/1124223654.db2.gz VQUAEVJOHGLGRM-UHFFFAOYSA-N 1 2 344.459 2.344 10 30 EEEELO C=C1CC(C)(C(=O)N(C)[C@H](C)C[NH2+][C@H](C)c2nc(COC)no2)C1 ZINC001568298730 1124410303 /nfs/dbraw/zinc/41/03/03/1124410303.db2.gz WASJXTSUXUSZDU-CHWSQXEVSA-N 1 2 336.436 2.070 10 30 EEEELO C=CCC1(C(=O)N(C)[C@H](C)C[NH2+]Cc2nc(N(C)C)no2)CCCC1 ZINC001568322578 1124419833 /nfs/dbraw/zinc/41/98/33/1124419833.db2.gz OSTWKEDGELALCF-CQSZACIVSA-N 1 2 349.479 2.209 10 30 EEEELO CC(C)C#CC(=O)N1CCC[C@H](C)[C@H]1C[NH2+]Cc1noc(C2CC2)n1 ZINC001568423215 1124489799 /nfs/dbraw/zinc/48/97/99/1124489799.db2.gz DZIJQZVQONUCGV-GOEBONIOSA-N 1 2 344.459 2.323 10 30 EEEELO C=CCCC(=O)NC[C@@H]1CC[N@H+]1[C@H]1CCCN(CC(C)(C)C)C1=O ZINC001569350381 1125247466 /nfs/dbraw/zinc/24/74/66/1125247466.db2.gz JQQOUUXTRLXJHE-HOTGVXAUSA-N 1 2 335.492 2.180 10 30 EEEELO C=CCCC(=O)NC[C@@H]1CC[N@@H+]1[C@H]1CCCN(CC(C)(C)C)C1=O ZINC001569350381 1125247470 /nfs/dbraw/zinc/24/74/70/1125247470.db2.gz JQQOUUXTRLXJHE-HOTGVXAUSA-N 1 2 335.492 2.180 10 30 EEEELO CO[C@@H](C)[C@H](C)N1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000191723516 237268756 /nfs/dbraw/zinc/26/87/56/237268756.db2.gz LIOFCOXJZRQTQK-RYUDHWBXSA-N 1 2 328.416 2.070 10 30 EEEELO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1c1ccc(C#N)cc1Br ZINC000418994386 239394257 /nfs/dbraw/zinc/39/42/57/239394257.db2.gz BPBFKVRCRULCLE-NWDGAFQWSA-N 1 2 338.249 2.212 10 30 EEEELO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1c1ccc(C#N)cc1Br ZINC000418994386 239394260 /nfs/dbraw/zinc/39/42/60/239394260.db2.gz BPBFKVRCRULCLE-NWDGAFQWSA-N 1 2 338.249 2.212 10 30 EEEELO CO[C@H](C)[C@H](C)N1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000191723500 533106785 /nfs/dbraw/zinc/10/67/85/533106785.db2.gz LIOFCOXJZRQTQK-NWDGAFQWSA-N 1 2 328.416 2.070 10 30 EEEELO N#Cc1cc(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)ccn1 ZINC000192850304 160175306 /nfs/dbraw/zinc/17/53/06/160175306.db2.gz WFFUIJYYGSFQMJ-UHFFFAOYSA-N 1 2 333.351 2.481 10 30 EEEELO CCS(=O)(=O)c1ccc(C[NH2+]Cc2nc(C#N)cs2)s1 ZINC000352869330 162321600 /nfs/dbraw/zinc/32/16/00/162321600.db2.gz HIZKTKHTGFRHCW-UHFFFAOYSA-N 1 2 327.456 2.160 10 30 EEEELO CCOC(=O)c1ccc(C[NH+]2CCN(c3cccc(C#N)n3)CC2)o1 ZINC000355105501 163083066 /nfs/dbraw/zinc/08/30/66/163083066.db2.gz OEOHQHJVWGWUPW-UHFFFAOYSA-N 1 2 340.383 2.045 10 30 EEEELO Cn1cc(C#N)cc1C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000245731919 294202989 /nfs/dbraw/zinc/20/29/89/294202989.db2.gz YXSZMPYHXSJJNW-RDJZCZTQSA-N 1 2 344.365 2.350 10 30 EEEELO Cn1cc(C#N)cc1C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000245731919 294202990 /nfs/dbraw/zinc/20/29/90/294202990.db2.gz YXSZMPYHXSJJNW-RDJZCZTQSA-N 1 2 344.365 2.350 10 30 EEEELO CC1(C)C(=O)N[C@@H]1C1CC[NH+](Cc2c(C#N)cccc2[N+](=O)[O-])CC1 ZINC000571936921 319800355 /nfs/dbraw/zinc/80/03/55/319800355.db2.gz JLBCZUJWIJFFHM-MRXNPFEDSA-N 1 2 342.399 2.203 10 30 EEEELO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H](C)CS(C)(=O)=O ZINC000163182250 463570123 /nfs/dbraw/zinc/57/01/23/463570123.db2.gz DWMDIHNHMSEWME-ZDUSSCGKSA-N 1 2 326.418 2.264 10 30 EEEELO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H](C)CS(C)(=O)=O ZINC000163182250 463570128 /nfs/dbraw/zinc/57/01/28/463570128.db2.gz DWMDIHNHMSEWME-ZDUSSCGKSA-N 1 2 326.418 2.264 10 30 EEEELO C=CCOc1cccnc1C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000341530731 465217745 /nfs/dbraw/zinc/21/77/45/465217745.db2.gz KHMIXYPNXYUTOU-UHFFFAOYSA-N 1 2 340.305 2.335 10 30 EEEELO C#CCOc1ccccc1CNC(=O)NCCc1[nH+]ccn1C(F)F ZINC000075139083 462684875 /nfs/dbraw/zinc/68/48/75/462684875.db2.gz AAEFWGNEOQHLMS-UHFFFAOYSA-N 1 2 348.353 2.332 10 30 EEEELO Cc1cn2c([nH+]1)CN(C(=O)c1ccc(Br)cc1C#N)CC2 ZINC000590719188 468316442 /nfs/dbraw/zinc/31/64/42/468316442.db2.gz WQBSXYDSMFWYIR-UHFFFAOYSA-N 1 2 345.200 2.482 10 30 EEEELO C=CCNC(=O)N1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000065442203 462772325 /nfs/dbraw/zinc/77/23/25/462772325.db2.gz DUOVXXSPAJIHLJ-UHFFFAOYSA-N 1 2 333.823 2.001 10 30 EEEELO C=CCCS(=O)(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000120512138 463008216 /nfs/dbraw/zinc/00/82/16/463008216.db2.gz DTKLQYUJMUAYET-CYBMUJFWSA-N 1 2 344.427 2.425 10 30 EEEELO C=CCCS(=O)(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000120512138 463008220 /nfs/dbraw/zinc/00/82/20/463008220.db2.gz DTKLQYUJMUAYET-CYBMUJFWSA-N 1 2 344.427 2.425 10 30 EEEELO COc1ccc([C@@H]2C3=C(CCCC3=O)O[C@@H]([NH3+])[C@@H]2C#N)cc1OC ZINC000095081058 463065672 /nfs/dbraw/zinc/06/56/72/463065672.db2.gz XWCLDIVPZUIWAG-DPZKZMLUSA-N 1 2 328.368 2.249 10 30 EEEELO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)c2cc(C#N)cn2C)CC1 ZINC000157886930 463180919 /nfs/dbraw/zinc/18/09/19/463180919.db2.gz JJXRZUKJGGTGFG-ZDUSSCGKSA-N 1 2 328.441 2.477 10 30 EEEELO C[C@@H](Oc1ccccc1C#N)C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000029908195 463278276 /nfs/dbraw/zinc/27/82/76/463278276.db2.gz ZPFMRVKIRRGSGO-CQSZACIVSA-N 1 2 347.378 2.223 10 30 EEEELO N#Cc1ccc(NC(=O)C[N@H+]2CC[C@@](O)(C(F)(F)F)C2)cc1Cl ZINC000081067423 463389631 /nfs/dbraw/zinc/38/96/31/463389631.db2.gz YNDQBIFAOPBAND-ZDUSSCGKSA-N 1 2 347.724 2.149 10 30 EEEELO N#Cc1ccc(NC(=O)C[N@@H+]2CC[C@@](O)(C(F)(F)F)C2)cc1Cl ZINC000081067423 463389635 /nfs/dbraw/zinc/38/96/35/463389635.db2.gz YNDQBIFAOPBAND-ZDUSSCGKSA-N 1 2 347.724 2.149 10 30 EEEELO C#CCOCCC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000161905838 463467172 /nfs/dbraw/zinc/46/71/72/463467172.db2.gz ZGVVVRLLFNDWLO-RDJZCZTQSA-N 1 2 338.810 2.380 10 30 EEEELO C#CCOCCC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000161905838 463467175 /nfs/dbraw/zinc/46/71/75/463467175.db2.gz ZGVVVRLLFNDWLO-RDJZCZTQSA-N 1 2 338.810 2.380 10 30 EEEELO Cc1oc(NC(=O)C[N@@H+]2CC[C@@H](Oc3cccnc3)C2)c(C#N)c1C ZINC000152467451 463694356 /nfs/dbraw/zinc/69/43/56/463694356.db2.gz KQLDIYMKXYQQBV-OAHLLOKOSA-N 1 2 340.383 2.255 10 30 EEEELO Cc1oc(NC(=O)C[N@H+]2CC[C@@H](Oc3cccnc3)C2)c(C#N)c1C ZINC000152467451 463694360 /nfs/dbraw/zinc/69/43/60/463694360.db2.gz KQLDIYMKXYQQBV-OAHLLOKOSA-N 1 2 340.383 2.255 10 30 EEEELO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000152481837 463695478 /nfs/dbraw/zinc/69/54/78/463695478.db2.gz LUUWSVUAQBYPHX-YOEHRIQHSA-N 1 2 336.395 2.434 10 30 EEEELO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000152481837 463695481 /nfs/dbraw/zinc/69/54/81/463695481.db2.gz LUUWSVUAQBYPHX-YOEHRIQHSA-N 1 2 336.395 2.434 10 30 EEEELO COC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000171062612 463772879 /nfs/dbraw/zinc/77/28/79/463772879.db2.gz RLOPSSHGXASPIX-LBPRGKRZSA-N 1 2 335.791 2.035 10 30 EEEELO COC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000171062612 463772885 /nfs/dbraw/zinc/77/28/85/463772885.db2.gz RLOPSSHGXASPIX-LBPRGKRZSA-N 1 2 335.791 2.035 10 30 EEEELO C#CCOc1ccc(C(=O)N2CCCN(c3cccc[nH+]3)CC2)cc1 ZINC000186445571 464001707 /nfs/dbraw/zinc/00/17/07/464001707.db2.gz LJOMFQVZSYLUBC-UHFFFAOYSA-N 1 2 335.407 2.446 10 30 EEEELO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000288595358 464051495 /nfs/dbraw/zinc/05/14/95/464051495.db2.gz DRLSZDHWAVXDHN-HNNXBMFYSA-N 1 2 328.412 2.449 10 30 EEEELO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000288595358 464051500 /nfs/dbraw/zinc/05/15/00/464051500.db2.gz DRLSZDHWAVXDHN-HNNXBMFYSA-N 1 2 328.412 2.449 10 30 EEEELO N#Cc1ccc(C2(C(=O)N3CC[NH+](Cc4ccccn4)CC3)CC2)cc1 ZINC000187372071 464122204 /nfs/dbraw/zinc/12/22/04/464122204.db2.gz CGLMLDINVLIFBN-UHFFFAOYSA-N 1 2 346.434 2.329 10 30 EEEELO CN1CC[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1c1nc(C2CC2)no1 ZINC000284924629 464394344 /nfs/dbraw/zinc/39/43/44/464394344.db2.gz PQGOVNGFXQVNIW-INIZCTEOSA-N 1 2 341.390 2.446 10 30 EEEELO CN1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1c1nc(C2CC2)no1 ZINC000284924629 464394354 /nfs/dbraw/zinc/39/43/54/464394354.db2.gz PQGOVNGFXQVNIW-INIZCTEOSA-N 1 2 341.390 2.446 10 30 EEEELO C=CCCS(=O)(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000245657897 464502840 /nfs/dbraw/zinc/50/28/40/464502840.db2.gz GQXUQCVAXQSABD-LSDHHAIUSA-N 1 2 330.400 2.206 10 30 EEEELO C=CCCS(=O)(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000245657897 464502845 /nfs/dbraw/zinc/50/28/45/464502845.db2.gz GQXUQCVAXQSABD-LSDHHAIUSA-N 1 2 330.400 2.206 10 30 EEEELO CC[C@H](C(=O)N1Cc2cccc(C#N)c2C1)[N@@H+]1CCO[C@H](CC)C1 ZINC000593888398 468422045 /nfs/dbraw/zinc/42/20/45/468422045.db2.gz LHBKFVMNVHCWER-SJLPKXTDSA-N 1 2 327.428 2.290 10 30 EEEELO CC[C@H](C(=O)N1Cc2cccc(C#N)c2C1)[N@H+]1CCO[C@H](CC)C1 ZINC000593888398 468422052 /nfs/dbraw/zinc/42/20/52/468422052.db2.gz LHBKFVMNVHCWER-SJLPKXTDSA-N 1 2 327.428 2.290 10 30 EEEELO COc1cc(C[N@@H+]2CCOC[C@H]2C[C@H](O)c2ccco2)ccc1C#N ZINC000282333374 464779248 /nfs/dbraw/zinc/77/92/48/464779248.db2.gz OGHZMSKGLWODLI-SJORKVTESA-N 1 2 342.395 2.484 10 30 EEEELO COc1cc(C[N@H+]2CCOC[C@H]2C[C@H](O)c2ccco2)ccc1C#N ZINC000282333374 464779252 /nfs/dbraw/zinc/77/92/52/464779252.db2.gz OGHZMSKGLWODLI-SJORKVTESA-N 1 2 342.395 2.484 10 30 EEEELO COc1cc(C[N@H+](C)[C@@H](C(N)=O)c2ccc(C#N)cc2)cc(OC)c1 ZINC000360283636 465551971 /nfs/dbraw/zinc/55/19/71/465551971.db2.gz BIWNSWXPVBZCBP-GOSISDBHSA-N 1 2 339.395 2.234 10 30 EEEELO COc1cc(C[N@@H+](C)[C@@H](C(N)=O)c2ccc(C#N)cc2)cc(OC)c1 ZINC000360283636 465551977 /nfs/dbraw/zinc/55/19/77/465551977.db2.gz BIWNSWXPVBZCBP-GOSISDBHSA-N 1 2 339.395 2.234 10 30 EEEELO CC1(C)C[C@H](NC(=O)NCc2[nH+]ccn2CC(F)(F)F)CCO1 ZINC000330452884 465667552 /nfs/dbraw/zinc/66/75/52/465667552.db2.gz ZQMHZNNGRNOGBB-SNVBAGLBSA-N 1 2 334.342 2.407 10 30 EEEELO COc1cc(C(C)=O)ccc1OC[C@@H](O)C[N@H+](C[C@@H](C)C#N)C1CC1 ZINC000338345501 466046448 /nfs/dbraw/zinc/04/64/48/466046448.db2.gz DEFHTRKFYYGBST-GUYCJALGSA-N 1 2 346.427 2.262 10 30 EEEELO COc1cc(C(C)=O)ccc1OC[C@@H](O)C[N@@H+](C[C@@H](C)C#N)C1CC1 ZINC000338345501 466046451 /nfs/dbraw/zinc/04/64/51/466046451.db2.gz DEFHTRKFYYGBST-GUYCJALGSA-N 1 2 346.427 2.262 10 30 EEEELO C[C@@H](C#N)C[N@H+](CCCOc1ccc(S(C)(=O)=O)cc1)C1CC1 ZINC000338349190 466050041 /nfs/dbraw/zinc/05/00/41/466050041.db2.gz DWGUHTOTUUPNBU-AWEZNQCLSA-N 1 2 336.457 2.483 10 30 EEEELO C[C@@H](C#N)C[N@@H+](CCCOc1ccc(S(C)(=O)=O)cc1)C1CC1 ZINC000338349190 466050043 /nfs/dbraw/zinc/05/00/43/466050043.db2.gz DWGUHTOTUUPNBU-AWEZNQCLSA-N 1 2 336.457 2.483 10 30 EEEELO N#CCCN(CC1CC1)S(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000349447782 466110862 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2.360 10 30 EEEELO C=CCCCC(=O)NC[C@@H]1C[N@H+](Cc2ccc3c(c2)COC3)CCO1 ZINC001666719208 1355575367 /nfs/dbraw/zinc/57/53/67/1355575367.db2.gz FDLPTYBVNBXMFF-LJQANCHMSA-N 1 2 344.455 2.390 10 30 EEEELO C=CCCCC(=O)NC[C@@H]1C[N@@H+](Cc2ccc3c(c2)COC3)CCO1 ZINC001666719208 1355575371 /nfs/dbraw/zinc/57/53/71/1355575371.db2.gz FDLPTYBVNBXMFF-LJQANCHMSA-N 1 2 344.455 2.390 10 30 EEEELO C=CCC[C@@H](C)[N@@H+]1CCO[C@@H](CNC(=O)c2cccc3nc[nH]c32)C1 ZINC001666726176 1355577853 /nfs/dbraw/zinc/57/78/53/1355577853.db2.gz ZGEWACMRMMHECQ-CABCVRRESA-N 1 2 342.443 2.348 10 30 EEEELO C=CCC[C@@H](C)[N@H+]1CCO[C@@H](CNC(=O)c2cccc3nc[nH]c32)C1 ZINC001666726176 1355577857 /nfs/dbraw/zinc/57/78/57/1355577857.db2.gz ZGEWACMRMMHECQ-CABCVRRESA-N 1 2 342.443 2.348 10 30 EEEELO C#CCCCC(=O)N1CCC2(C[NH+](Cc3cc(OC)ns3)C2)CC1 ZINC001666821360 1355596847 /nfs/dbraw/zinc/59/68/47/1355596847.db2.gz NYMAYZFMYGEXBH-UHFFFAOYSA-N 1 2 347.484 2.380 10 30 EEEELO C#CCN(C(=O)C(=O)C(C)(C)C)C1CC[NH+](Cc2cc(C)no2)CC1 ZINC001671465368 1356343630 /nfs/dbraw/zinc/34/36/30/1356343630.db2.gz RLQRVCRKKYDRAX-UHFFFAOYSA-N 1 2 345.443 2.024 10 30 EEEELO C=CCCC(=O)N1CCCC[C@]2(CC[N@@H+](Cc3ncnn3CC)C2)C1 ZINC001671593168 1356367858 /nfs/dbraw/zinc/36/78/58/1356367858.db2.gz GGZQMFAENPNTNK-LJQANCHMSA-N 1 2 345.491 2.469 10 30 EEEELO C=CCCC(=O)N1CCCC[C@]2(CC[N@H+](Cc3ncnn3CC)C2)C1 ZINC001671593168 1356367862 /nfs/dbraw/zinc/36/78/62/1356367862.db2.gz GGZQMFAENPNTNK-LJQANCHMSA-N 1 2 345.491 2.469 10 30 EEEELO C#CCCCCCC(=O)NC[C@]1(C)CCC[N@@H+](Cc2cn(C)nn2)C1 ZINC001671898883 1356434170 /nfs/dbraw/zinc/43/41/70/1356434170.db2.gz VECKXHKDCFSOQY-IBGZPJMESA-N 1 2 345.491 2.117 10 30 EEEELO C#CCCCCCC(=O)NC[C@]1(C)CCC[N@H+](Cc2cn(C)nn2)C1 ZINC001671898883 1356434171 /nfs/dbraw/zinc/43/41/71/1356434171.db2.gz VECKXHKDCFSOQY-IBGZPJMESA-N 1 2 345.491 2.117 10 30 EEEELO C=CC(C)(C)C(=O)NC[C@@]1(O)CC[N@H+](Cc2cnc(Cl)s2)C1 ZINC001672013107 1356454394 /nfs/dbraw/zinc/45/43/94/1356454394.db2.gz ICFYHFIMRRGTCU-HNNXBMFYSA-N 1 2 343.880 2.062 10 30 EEEELO C=CC(C)(C)C(=O)NC[C@@]1(O)CC[N@@H+](Cc2cnc(Cl)s2)C1 ZINC001672013107 1356454397 /nfs/dbraw/zinc/45/43/97/1356454397.db2.gz ICFYHFIMRRGTCU-HNNXBMFYSA-N 1 2 343.880 2.062 10 30 EEEELO C#CC[N@H+]1CCC[C@](CO)(NC(=O)c2cc3c(s2)CC[C@@H](C)C3)C1 ZINC001672503046 1356535783 /nfs/dbraw/zinc/53/57/83/1356535783.db2.gz DSOQGVZHUNTOFY-KUHUBIRLSA-N 1 2 346.496 2.063 10 30 EEEELO C#CC[N@@H+]1CCC[C@](CO)(NC(=O)c2cc3c(s2)CC[C@@H](C)C3)C1 ZINC001672503046 1356535787 /nfs/dbraw/zinc/53/57/87/1356535787.db2.gz DSOQGVZHUNTOFY-KUHUBIRLSA-N 1 2 346.496 2.063 10 30 EEEELO C=C(Cl)C[N@@H+](C)Cc1ccccc1CNC(=O)c1cc[n+]([O-])cc1 ZINC001672920641 1356615684 /nfs/dbraw/zinc/61/56/84/1356615684.db2.gz GPTQNDJUYATYOP-UHFFFAOYSA-N 1 2 345.830 2.434 10 30 EEEELO C=C(Cl)C[N@H+](C)Cc1ccccc1CNC(=O)c1cc[n+]([O-])cc1 ZINC001672920641 1356615688 /nfs/dbraw/zinc/61/56/88/1356615688.db2.gz GPTQNDJUYATYOP-UHFFFAOYSA-N 1 2 345.830 2.434 10 30 EEEELO N#CCSCC(=O)NC[C@@H]1COCC[N@@H+]1CCC1CCCCC1 ZINC001673026065 1356633753 /nfs/dbraw/zinc/63/37/53/1356633753.db2.gz CQDOTVMPTDUGIK-MRXNPFEDSA-N 1 2 339.505 2.031 10 30 EEEELO N#CCSCC(=O)NC[C@@H]1COCC[N@H+]1CCC1CCCCC1 ZINC001673026065 1356633757 /nfs/dbraw/zinc/63/37/57/1356633757.db2.gz CQDOTVMPTDUGIK-MRXNPFEDSA-N 1 2 339.505 2.031 10 30 EEEELO C=CCCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cnoc1-c1ccco1 ZINC001673050149 1356638295 /nfs/dbraw/zinc/63/82/95/1356638295.db2.gz ZCQPGNHCZFUXLV-AWEZNQCLSA-N 1 2 345.399 2.331 10 30 EEEELO C=CCCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cnoc1-c1ccco1 ZINC001673050149 1356638300 /nfs/dbraw/zinc/63/83/00/1356638300.db2.gz ZCQPGNHCZFUXLV-AWEZNQCLSA-N 1 2 345.399 2.331 10 30 EEEELO C=CCCO[C@H](C)C(=O)N1CCOC2(C[NH+](CC/C=C\CC)C2)C1 ZINC001673501619 1356699647 /nfs/dbraw/zinc/69/96/47/1356699647.db2.gz XVZMXNHEVFJOFW-BQLWYNFJSA-N 1 2 336.476 2.237 10 30 EEEELO O=C(C#CC1CC1)N[C@@H]1COC2(C[NH+](Cc3ccc4cc[nH]c4c3)C2)C1 ZINC001673561055 1356710520 /nfs/dbraw/zinc/71/05/20/1356710520.db2.gz IWHYNOPQRHMQKY-SFHVURJKSA-N 1 2 349.434 2.041 10 30 EEEELO C=CCCOCC(=O)N1CCC2(CC1)C[N@H+](C/C=C/Cl)CCO2 ZINC001674283991 1356812289 /nfs/dbraw/zinc/81/22/89/1356812289.db2.gz LAGDMKFWYNNEKV-QPJJXVBHSA-N 1 2 342.867 2.025 10 30 EEEELO C=CCCOCC(=O)N1CCC2(CC1)C[N@@H+](C/C=C/Cl)CCO2 ZINC001674283991 1356812295 /nfs/dbraw/zinc/81/22/95/1356812295.db2.gz LAGDMKFWYNNEKV-QPJJXVBHSA-N 1 2 342.867 2.025 10 30 EEEELO C=C(Cl)C[N@H+](C)C[C@@H]1CCCN1C(=O)C(=O)Nc1ccccc1 ZINC001674468882 1356839352 /nfs/dbraw/zinc/83/93/52/1356839352.db2.gz DZVSZRKNTIAYCI-HNNXBMFYSA-N 1 2 335.835 2.300 10 30 EEEELO C=C(Cl)C[N@@H+](C)C[C@@H]1CCCN1C(=O)C(=O)Nc1ccccc1 ZINC001674468882 1356839357 /nfs/dbraw/zinc/83/93/57/1356839357.db2.gz DZVSZRKNTIAYCI-HNNXBMFYSA-N 1 2 335.835 2.300 10 30 EEEELO C=C(C)C(C)(C)C(=O)N[C@H](C)C1C[NH+](Cc2ccc(OC)nn2)C1 ZINC001675331797 1356965906 /nfs/dbraw/zinc/96/59/06/1356965906.db2.gz DVRHGPPTTZZYMM-CYBMUJFWSA-N 1 2 332.448 2.024 10 30 EEEELO C=CCCOCC(=O)N[C@H](C)C1C[NH+](Cc2ccncc2Cl)C1 ZINC001675369279 1356971597 /nfs/dbraw/zinc/97/15/97/1356971597.db2.gz ILFRUAYSBZZPDE-CYBMUJFWSA-N 1 2 337.851 2.264 10 30 EEEELO C=CCC(C)(C)C(=O)N1CC2(C1)CCC[N@@H+]([C@H](C)c1nncn1C)C2 ZINC001675673961 1357033053 /nfs/dbraw/zinc/03/30/53/1357033053.db2.gz ZEYZDQWYTLNRBF-OAHLLOKOSA-N 1 2 345.491 2.403 10 30 EEEELO C=CCC(C)(C)C(=O)N1CC2(C1)CCC[N@H+]([C@H](C)c1nncn1C)C2 ZINC001675673961 1357033055 /nfs/dbraw/zinc/03/30/55/1357033055.db2.gz ZEYZDQWYTLNRBF-OAHLLOKOSA-N 1 2 345.491 2.403 10 30 EEEELO C=CCCC(=O)N[C@@H]1CC[C@@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001680701324 1357902265 /nfs/dbraw/zinc/90/22/65/1357902265.db2.gz CDQQWPIUVLTHNK-HUUCEWRRSA-N 1 2 340.427 2.315 10 30 EEEELO C=CCCCC(=O)N1CC=C(CNC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001681353346 1357984291 /nfs/dbraw/zinc/98/42/91/1357984291.db2.gz KARQENAHFVAEHN-MRXNPFEDSA-N 1 2 344.459 2.465 10 30 EEEELO C=CCCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001683932969 1358209408 /nfs/dbraw/zinc/20/94/08/1358209408.db2.gz QGGCVNUGDIISRJ-FVQBIDKESA-N 1 2 332.448 2.098 10 30 EEEELO C=CCCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001683932969 1358209412 /nfs/dbraw/zinc/20/94/12/1358209412.db2.gz QGGCVNUGDIISRJ-FVQBIDKESA-N 1 2 332.448 2.098 10 30 EEEELO C=CCC(C)(C)C(=O)NC[C@H]1C[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001684229794 1358250443 /nfs/dbraw/zinc/25/04/43/1358250443.db2.gz MIUNUNFHRDYAEG-HRCADAONSA-N 1 2 346.475 2.448 10 30 EEEELO C=CCCC(=O)N1CC[C@H](NC(=O)CCn2cc[nH+]c2)CC(C)(C)C1 ZINC001685431521 1358323788 /nfs/dbraw/zinc/32/37/88/1358323788.db2.gz PLRIUZFONDRATP-INIZCTEOSA-N 1 2 346.475 2.373 10 30 EEEELO C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H](C)CCc2cccc(F)c2)C1 ZINC001698789088 1405062079 /nfs/dbraw/zinc/06/20/79/1405062079.db2.gz MBPQWLPBEXUHBD-YJBOKZPZSA-N 1 2 334.435 2.397 10 30 EEEELO C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@@H](C)CCc2cccc(F)c2)C1 ZINC001698789088 1405062084 /nfs/dbraw/zinc/06/20/84/1405062084.db2.gz MBPQWLPBEXUHBD-YJBOKZPZSA-N 1 2 334.435 2.397 10 30 EEEELO C=C[C@@](C)(O)CC(=O)N(C)CC[N@H+](C)Cc1cnc(Cl)s1 ZINC001698985509 1405202053 /nfs/dbraw/zinc/20/20/53/1405202053.db2.gz RPVHBIPBYCXPTH-CQSZACIVSA-N 1 2 331.869 2.014 10 30 EEEELO C=C[C@@](C)(O)CC(=O)N(C)CC[N@@H+](C)Cc1cnc(Cl)s1 ZINC001698985509 1405202064 /nfs/dbraw/zinc/20/20/64/1405202064.db2.gz RPVHBIPBYCXPTH-CQSZACIVSA-N 1 2 331.869 2.014 10 30 EEEELO C#CCO[C@H](C)C(=O)NC/C=C\C[NH2+][C@@H](C)c1ncc(C(C)(C)C)o1 ZINC001699257071 1405297976 /nfs/dbraw/zinc/29/79/76/1405297976.db2.gz KDRHQQPBVPNYRO-STUIXMSNSA-N 1 2 347.459 2.333 10 30 EEEELO C=CCC(C)(C)C(=O)N[C@H](C[NH2+]Cc1nnn(C(C)(C)C)n1)C1CC1 ZINC001699590000 1405410223 /nfs/dbraw/zinc/41/02/23/1405410223.db2.gz YTPNPFYLSALVNN-CQSZACIVSA-N 1 2 348.495 2.015 10 30 EEEELO CCCC[C@H](C(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1)C(C)C ZINC001699808289 1405499854 /nfs/dbraw/zinc/49/98/54/1405499854.db2.gz KAGQCPNYCPKOMN-MSOLQXFVSA-N 1 2 334.508 2.191 10 30 EEEELO CC(C)(C)C#CC(=O)NC[C@]1(C)CCC[N@H+](Cc2cnns2)C1 ZINC001699872884 1405539721 /nfs/dbraw/zinc/53/97/21/1405539721.db2.gz VFJVNJDVVJYCFE-KRWDZBQOSA-N 1 2 334.489 2.306 10 30 EEEELO CC(C)(C)C#CC(=O)NC[C@]1(C)CCC[N@@H+](Cc2cnns2)C1 ZINC001699872884 1405539731 /nfs/dbraw/zinc/53/97/31/1405539731.db2.gz VFJVNJDVVJYCFE-KRWDZBQOSA-N 1 2 334.489 2.306 10 30 EEEELO C#CC[NH+]1CC(N2CCN(C(=O)c3ccc([C@@H](C)CC)cc3)CC2)C1 ZINC000941675322 780891147 /nfs/dbraw/zinc/89/11/47/780891147.db2.gz ZCYVZDYTMGTTKM-KRWDZBQOSA-N 1 2 339.483 2.275 10 30 EEEELO C/C(=C\C(=O)NCc1ccc(C#N)c(Cl)c1)C[NH+]1CCOCC1 ZINC000908045995 785046333 /nfs/dbraw/zinc/04/63/33/785046333.db2.gz NSVIWVCONVWDLB-MDWZMJQESA-N 1 2 333.819 2.106 10 30 EEEELO C/C(=C/C(=O)NC1(c2ccc(C#N)cc2)CCC1)C[NH+]1CCOCC1 ZINC000912058194 787923408 /nfs/dbraw/zinc/92/34/08/787923408.db2.gz HLPOUUAEMMZYDZ-SSZFMOIBSA-N 1 2 339.439 2.332 10 30 EEEELO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC(c2ccc(C#N)cn2)CC1 ZINC000912926473 788501342 /nfs/dbraw/zinc/50/13/42/788501342.db2.gz LOEVNPYSXYJDOB-HZPDHXFCSA-N 1 2 335.411 2.196 10 30 EEEELO C#CCN(CC(=O)Nc1ccc2[nH+]c(C)cn2c1)C(=O)OC(C)(C)C ZINC000825266218 788544052 /nfs/dbraw/zinc/54/40/52/788544052.db2.gz IJVPTJYFYIRMMZ-UHFFFAOYSA-N 1 2 342.399 2.452 10 30 EEEELO N#Cc1ccc(C2(C(=O)N3CC[NH2+][C@H](c4cn[nH]c4)C3)CCCC2)cc1 ZINC000913439813 788878890 /nfs/dbraw/zinc/87/88/90/788878890.db2.gz LBYRHKNTOBEIPE-SFHVURJKSA-N 1 2 349.438 2.266 10 30 EEEELO C#C[C@@H](NC(=O)N1CCC(Nc2cccc[nH+]2)CC1)C1CCOCC1 ZINC000923325267 789385695 /nfs/dbraw/zinc/38/56/95/789385695.db2.gz SMZXCLLEOVQXEN-QGZVFWFLSA-N 1 2 342.443 2.096 10 30 EEEELO C#Cc1cccc(NC(=O)NC(=O)C[N@H+]2C[C@H](CC)OC[C@H]2CC)c1 ZINC001171778402 796731420 /nfs/dbraw/zinc/73/14/20/796731420.db2.gz KNHXGDFXUGRQNY-SJORKVTESA-N 1 2 343.427 2.205 10 30 EEEELO C#Cc1cccc(NC(=O)NC(=O)C[N@@H+]2C[C@H](CC)OC[C@H]2CC)c1 ZINC001171778402 796731426 /nfs/dbraw/zinc/73/14/26/796731426.db2.gz KNHXGDFXUGRQNY-SJORKVTESA-N 1 2 343.427 2.205 10 30 EEEELO N#Cc1ccc(-c2nnc(C[N@@H+]3CC[C@@H](Nc4ncccn4)C3)o2)cc1 ZINC001176808085 798580147 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EEEELO N#Cc1cscc1C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000432059358 268319080 /nfs/dbraw/zinc/31/90/80/268319080.db2.gz BDLYDGVUEQBKCX-UHFFFAOYSA-N 1 2 341.436 2.457 10 30 EEEELO N#Cc1cc(S(=O)(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)ccc1F ZINC000126078763 303185542 /nfs/dbraw/zinc/18/55/42/303185542.db2.gz LFGCWKMUACCDNR-AWEZNQCLSA-N 1 2 334.376 2.336 10 30 EEEELO N#Cc1ccc(NCC(=O)NC2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000339205331 465141949 /nfs/dbraw/zinc/14/19/49/465141949.db2.gz SHWGFPHRLZYVKS-UHFFFAOYSA-N 1 2 335.411 2.150 10 30 EEEELO COc1ncc(C[NH+]2CCN(c3cccc(F)c3C#N)CC2)c(C)n1 ZINC000337122169 465202210 /nfs/dbraw/zinc/20/22/10/465202210.db2.gz AKCBGIZTVWBKRN-UHFFFAOYSA-N 1 2 341.390 2.127 10 30 EEEELO COc1nccc(C[NH+]2CCN([C@H](C#N)c3ccc(F)cc3)CC2)n1 ZINC000590714614 468315435 /nfs/dbraw/zinc/31/54/35/468315435.db2.gz NSKREOHCAWUIBP-QGZVFWFLSA-N 1 2 341.390 2.007 10 30 EEEELO CCn1c2ccccc2nc1CN(CCC#N)CC[NH+]1CCOCC1 ZINC000154745837 462804231 /nfs/dbraw/zinc/80/42/31/462804231.db2.gz 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349.456 2.306 10 30 EEEELO COC(=O)[C@H]1CC[N@@H+](CC(=O)Nc2sc(C)c(C)c2C#N)C[C@@H]1C ZINC000249098148 464840292 /nfs/dbraw/zinc/84/02/92/464840292.db2.gz PBLIAFQUXVJAIU-GWCFXTLKSA-N 1 2 349.456 2.306 10 30 EEEELO N#Cc1ccsc1N1CC[C@@H]([NH+]2CCC(c3cc[nH]n3)CC2)C1=O ZINC000177034129 464913003 /nfs/dbraw/zinc/91/30/03/464913003.db2.gz MWDGYEKPXFFHDE-OAHLLOKOSA-N 1 2 341.440 2.328 10 30 EEEELO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCc1[nH+]ccn1C ZINC000348217080 465495443 /nfs/dbraw/zinc/49/54/43/465495443.db2.gz SOPOQHKIOJLWAB-UHFFFAOYSA-N 1 2 329.360 2.226 10 30 EEEELO CCN(CCC#N)C(=O)C[NH2+]C1(c2noc(C)n2)CCCCCC1 ZINC000337654046 465497342 /nfs/dbraw/zinc/49/73/42/465497342.db2.gz GKWFGCTZJGPNDW-UHFFFAOYSA-N 1 2 333.436 2.279 10 30 EEEELO N#CCC(=O)N1CC[NH+](CCOc2ccccc2C(F)(F)F)CC1 ZINC000580342799 468475234 /nfs/dbraw/zinc/47/52/34/468475234.db2.gz AWIKMVUDDGTKPZ-UHFFFAOYSA-N 1 2 341.333 2.142 10 30 EEEELO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCCc3occc3C2)c1 ZINC000367307385 466257459 /nfs/dbraw/zinc/25/74/59/466257459.db2.gz HTEWMMYPIIYRAP-UHFFFAOYSA-N 1 2 330.409 2.373 10 30 EEEELO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCCc3occc3C2)c1 ZINC000367307385 466257461 /nfs/dbraw/zinc/25/74/61/466257461.db2.gz HTEWMMYPIIYRAP-UHFFFAOYSA-N 1 2 330.409 2.373 10 30 EEEELO COC(=O)c1cc(C[N@H+](C[C@@H](C)C#N)C2CC2)cc(C(=O)OC)c1 ZINC000347278496 466530781 /nfs/dbraw/zinc/53/07/81/466530781.db2.gz QOOCVZJVBCIHDG-LBPRGKRZSA-N 1 2 330.384 2.384 10 30 EEEELO COC(=O)c1cc(C[N@@H+](C[C@@H](C)C#N)C2CC2)cc(C(=O)OC)c1 ZINC000347278496 466530783 /nfs/dbraw/zinc/53/07/83/466530783.db2.gz QOOCVZJVBCIHDG-LBPRGKRZSA-N 1 2 330.384 2.384 10 30 EEEELO C[C@](C#N)(NC(=O)C[N@@H+]1CCC[C@@]2(C1)OCc1ccccc12)C1CC1 ZINC000369009449 466710766 /nfs/dbraw/zinc/71/07/66/466710766.db2.gz NJXYYQWVXLMEOA-UXHICEINSA-N 1 2 339.439 2.316 10 30 EEEELO C[C@](C#N)(NC(=O)C[N@H+]1CCC[C@@]2(C1)OCc1ccccc12)C1CC1 ZINC000369009449 466710772 /nfs/dbraw/zinc/71/07/72/466710772.db2.gz NJXYYQWVXLMEOA-UXHICEINSA-N 1 2 339.439 2.316 10 30 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/nfs/dbraw/zinc/24/50/62/464245062.db2.gz BINSJASPJSHQDD-KRWDZBQOSA-N 1 2 344.415 2.260 10 30 EEEELO C=CCOc1ccc(C[N@H+]2CCO[C@H](c3nnc(C)[nH]3)C2)cc1OC ZINC000180112391 464245069 /nfs/dbraw/zinc/24/50/69/464245069.db2.gz BINSJASPJSHQDD-KRWDZBQOSA-N 1 2 344.415 2.260 10 30 EEEELO C[C@@H](CC#N)[N@H+](C)C[C@@H](O)COc1cccc(Br)c1 ZINC000247297414 464665401 /nfs/dbraw/zinc/66/54/01/464665401.db2.gz FHAXLVGCFSJCMM-WCQYABFASA-N 1 2 327.222 2.423 10 30 EEEELO C[C@@H](CC#N)[N@@H+](C)C[C@@H](O)COc1cccc(Br)c1 ZINC000247297414 464665405 /nfs/dbraw/zinc/66/54/05/464665405.db2.gz FHAXLVGCFSJCMM-WCQYABFASA-N 1 2 327.222 2.423 10 30 EEEELO C[C@H](c1cccc(F)c1)[NH+]1CCN(S(=O)(=O)CCCC#N)CC1 ZINC000182499749 464668553 /nfs/dbraw/zinc/66/85/53/464668553.db2.gz JPJACMDGTUAXLR-CQSZACIVSA-N 1 2 339.436 2.138 10 30 EEEELO Cc1nocc1C[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000295257947 464764098 /nfs/dbraw/zinc/76/40/98/464764098.db2.gz GQFALDSOMGDAED-UHFFFAOYSA-N 1 2 339.355 2.425 10 30 EEEELO 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467653366 /nfs/dbraw/zinc/65/33/66/467653366.db2.gz KRWISPITRCPQEE-INMHGKMJSA-N 1 2 327.428 2.399 10 30 EEEELO C[C@H]1C[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])CC2(CCOCC2)O1 ZINC000514606149 467943109 /nfs/dbraw/zinc/94/31/09/467943109.db2.gz SQKXXHWVZPZJDO-ZDUSSCGKSA-N 1 2 331.372 2.236 10 30 EEEELO C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])CC2(CCOCC2)O1 ZINC000514606149 467943111 /nfs/dbraw/zinc/94/31/11/467943111.db2.gz SQKXXHWVZPZJDO-ZDUSSCGKSA-N 1 2 331.372 2.236 10 30 EEEELO N#CCCn1cc(C[N@@H+]2CCn3nncc3C2)c(-c2ccccc2)n1 ZINC000517390404 468084441 /nfs/dbraw/zinc/08/44/41/468084441.db2.gz HHWIOXUKPKWPPL-UHFFFAOYSA-N 1 2 333.399 2.071 10 30 EEEELO N#CCCn1cc(C[N@H+]2CCn3nncc3C2)c(-c2ccccc2)n1 ZINC000517390404 468084446 /nfs/dbraw/zinc/08/44/46/468084446.db2.gz HHWIOXUKPKWPPL-UHFFFAOYSA-N 1 2 333.399 2.071 10 30 EEEELO C=CCCCCCNC(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000570293051 468618740 /nfs/dbraw/zinc/61/87/40/468618740.db2.gz VXJNEWAXFHLGOW-UHFFFAOYSA-N 1 2 332.448 2.464 10 30 EEEELO Cn1cc[nH+]c1[C@H](NC(=O)c1cc(F)c(C#N)c(F)c1)C(C)(C)CO ZINC000597848989 468692248 /nfs/dbraw/zinc/69/22/48/468692248.db2.gz XSFFLXLQNZJYGO-AWEZNQCLSA-N 1 2 348.353 2.060 10 30 EEEELO CC(C)Oc1ccnc(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)c1 ZINC000592997487 468835292 /nfs/dbraw/zinc/83/52/92/468835292.db2.gz CVECHQUERVBQCZ-UHFFFAOYSA-N 1 2 337.427 2.458 10 30 EEEELO CC(C)Oc1cc[nH+]c(CN2CCN(c3cc(C#N)ccn3)CC2)c1 ZINC000592997487 468835300 /nfs/dbraw/zinc/83/53/00/468835300.db2.gz CVECHQUERVBQCZ-UHFFFAOYSA-N 1 2 337.427 2.458 10 30 EEEELO N#CCSc1ccccc1NC(=O)C[NH+]1CCC(C2(O)CC2)CC1 ZINC000593052289 468851997 /nfs/dbraw/zinc/85/19/97/468851997.db2.gz YNOSKJNLLVAKKW-UHFFFAOYSA-N 1 2 345.468 2.478 10 30 EEEELO Cc1nc(NCc2cccc(C(=O)N3CC[C@@](C)(C#N)C3)c2)cc[nH+]1 ZINC000598418182 468859454 /nfs/dbraw/zinc/85/94/54/468859454.db2.gz SHEWRFKMFGMIAN-IBGZPJMESA-N 1 2 335.411 2.773 10 30 EEEELO N#CC[C@@H]1CCCN(C(=O)NCc2[nH+]ccn2CC(F)(F)F)C1 ZINC000595496929 468876250 /nfs/dbraw/zinc/87/62/50/468876250.db2.gz JGXXMBJYBSEPID-NSHDSACASA-N 1 2 329.326 2.281 10 30 EEEELO C=C(C)C[C@@H]([NH2+][C@H](C)CCN1C(=O)c2ccccc2C1=O)C(=O)OC ZINC000602734688 469039429 /nfs/dbraw/zinc/03/94/29/469039429.db2.gz RGRIEGRUEJIDHU-CZUORRHYSA-N 1 2 344.411 2.159 10 30 EEEELO N#CCCCn1cc(C(=O)N[C@H]2Cc3c[nH+]cn3C2)c2ccccc21 ZINC000598946389 469060773 /nfs/dbraw/zinc/06/07/73/469060773.db2.gz FGMONBXXSKXGHU-AWEZNQCLSA-N 1 2 333.395 2.496 10 30 EEEELO CCc1nc(CN2CC[NH+](Cc3ccnc(C#N)c3)CC2)cs1 ZINC000610993508 469134324 /nfs/dbraw/zinc/13/43/24/469134324.db2.gz SLZIWBGRIWRPOV-UHFFFAOYSA-N 1 2 327.457 2.290 10 30 EEEELO CNC(=O)[C@H](CNc1cc(C)[nH+]cc1C#N)Cc1ccc(F)cc1C ZINC000563049141 469151732 /nfs/dbraw/zinc/15/17/32/469151732.db2.gz NBOXDJDSNZNUCN-HNNXBMFYSA-N 1 2 340.402 2.148 10 30 EEEELO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC000602923303 469166682 /nfs/dbraw/zinc/16/66/82/469166682.db2.gz GMLULVOUYIEQHI-QZTJIDSGSA-N 1 2 339.351 2.091 10 30 EEEELO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC000602923303 469166686 /nfs/dbraw/zinc/16/66/86/469166686.db2.gz GMLULVOUYIEQHI-QZTJIDSGSA-N 1 2 339.351 2.091 10 30 EEEELO CC[N@@H+]1CC[C@@H](Nc2cc(C#N)cnn2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000596189971 469193755 /nfs/dbraw/zinc/19/37/55/469193755.db2.gz NDRDXJNQVURXIQ-PBHICJAKSA-N 1 2 347.344 3.013 10 30 EEEELO CC[N@H+]1CC[C@@H](Nc2cc(C#N)cnn2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000596189971 469193762 /nfs/dbraw/zinc/19/37/62/469193762.db2.gz NDRDXJNQVURXIQ-PBHICJAKSA-N 1 2 347.344 3.013 10 30 EEEELO C[NH+](C)C[C@](C)(C#N)NC(=O)Cc1cscc1Br ZINC000565050362 469266593 /nfs/dbraw/zinc/26/65/93/469266593.db2.gz AQTJFAIFMCAICV-LBPRGKRZSA-N 1 2 330.251 2.013 10 30 EEEELO CC1(C)C[NH+](CC(=O)N[C@@H](C#N)c2ccc(Br)cc2)C1 ZINC000565178579 469268293 /nfs/dbraw/zinc/26/82/93/469268293.db2.gz QWAQRAJIVREMGJ-ZDUSSCGKSA-N 1 2 336.233 2.472 10 30 EEEELO N#CC1(CC(=O)N2CC[NH+](Cc3cccs3)CC2)CCOCC1 ZINC000596661902 469325914 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346.353 2.221 10 30 EEEELO Cc1nnc(CC[NH+]2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)o1 ZINC000930278282 1206545965 /nfs/dbraw/zinc/54/59/65/1206545965.db2.gz KBDLWEXJPAMPAC-MRXNPFEDSA-N 1 2 345.834 2.456 10 30 EEEELO Cc1ccc(NC(=O)N2CCC3(CC2)CC(=O)C=CO3)c(N(C)C)[nH+]1 ZINC000930506598 1206563304 /nfs/dbraw/zinc/56/33/04/1206563304.db2.gz YXFIXOCIZFZXBB-UHFFFAOYSA-N 1 2 344.415 2.326 10 30 EEEELO C[C@@H]1[C@H](C)N(Cc2cncc(C#N)c2)CC[N@H+]1Cc1cncc(C#N)c1 ZINC000931071733 1206604563 /nfs/dbraw/zinc/60/45/63/1206604563.db2.gz DZEREBJPXNIQCR-IYBDPMFKSA-N 1 2 346.438 2.315 10 30 EEEELO C[C@@H]1[C@H](C)N(Cc2cncc(C#N)c2)CC[N@@H+]1Cc1cncc(C#N)c1 ZINC000931071733 1206604564 /nfs/dbraw/zinc/60/45/64/1206604564.db2.gz DZEREBJPXNIQCR-IYBDPMFKSA-N 1 2 346.438 2.315 10 30 EEEELO C[C@@H]1[C@H](C)[N@H+](Cc2cncc(C#N)c2)CCN1Cc1cncc(C#N)c1 ZINC000931071733 1206604565 /nfs/dbraw/zinc/60/45/65/1206604565.db2.gz DZEREBJPXNIQCR-IYBDPMFKSA-N 1 2 346.438 2.315 10 30 EEEELO C[C@@H]1[C@H](C)[N@@H+](Cc2cncc(C#N)c2)CCN1Cc1cncc(C#N)c1 ZINC000931071733 1206604566 /nfs/dbraw/zinc/60/45/66/1206604566.db2.gz DZEREBJPXNIQCR-IYBDPMFKSA-N 1 2 346.438 2.315 10 30 EEEELO COC(=O)C[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C[C@H]1C ZINC000932104732 1207537716 /nfs/dbraw/zinc/53/77/16/1207537716.db2.gz BGHCHTZFEGOPAR-SCDSUCTJSA-N 1 2 347.415 2.226 10 30 EEEELO COC(=O)C[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C[C@H]1C ZINC000932104732 1207537721 /nfs/dbraw/zinc/53/77/21/1207537721.db2.gz BGHCHTZFEGOPAR-SCDSUCTJSA-N 1 2 347.415 2.226 10 30 EEEELO C=C[C@@H](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CCc1[nH]cc[nH+]1 ZINC001490852872 1209763801 /nfs/dbraw/zinc/76/38/01/1209763801.db2.gz OLNMOKCTKCBWJU-JJXSEGSLSA-N 1 2 344.459 2.193 10 30 EEEELO C[C@@]([NH2+]Cc1cncc(C#N)c1)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC001412954883 1216148771 /nfs/dbraw/zinc/14/87/71/1216148771.db2.gz QSLYKICEGDDSHD-INIZCTEOSA-N 1 2 348.328 2.462 10 30 EEEELO C=C(C)CCC(=O)N[C@H](C)C1C[NH+](CC(=O)Nc2ccc(O)cc2)C1 ZINC001276381358 1250993450 /nfs/dbraw/zinc/99/34/50/1250993450.db2.gz LWBZUHUGNPIXRU-CQSZACIVSA-N 1 2 345.443 2.124 10 30 EEEELO C=CCC1(C(=O)N2CCN(C(=O)Cc3[nH]c[nH+]c3C)CC2)CCCC1 ZINC001491034891 1258592859 /nfs/dbraw/zinc/59/28/59/1258592859.db2.gz MPMDUEMVDZXOCI-UHFFFAOYSA-N 1 2 344.459 2.068 10 30 EEEELO C=CCCO[C@H](C)C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1nocc1C ZINC001491198442 1258765119 /nfs/dbraw/zinc/76/51/19/1258765119.db2.gz CMWFFAKGWZSHEX-CVEARBPZSA-N 1 2 335.448 2.435 10 30 EEEELO C=CCCO[C@H](C)C(=O)NC[C@@H]1CCCC[N@H+]1Cc1nocc1C ZINC001491198442 1258765124 /nfs/dbraw/zinc/76/51/24/1258765124.db2.gz CMWFFAKGWZSHEX-CVEARBPZSA-N 1 2 335.448 2.435 10 30 EEEELO CCc1ccccc1C[NH+]1CC2(C1)C[C@H](NC(=O)C#CC(C)C)CO2 ZINC001273695739 1283521370 /nfs/dbraw/zinc/52/13/70/1283521370.db2.gz IANZNOVOTUVNGX-IBGZPJMESA-N 1 2 340.467 2.368 10 30 EEEELO C=C(C)C(C)(C)C(=O)N[C@H](C)C[C@@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001488795446 1290239554 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PYZPGYSVIQCLHK-YESZJQIVSA-N 1 2 344.459 2.133 10 30 EEEELO C=C[C@@](C)(O)CC(=O)N[C@H]1CC[N@H+](Cc2cccc(Cl)c2F)C1 ZINC001490537772 1291414966 /nfs/dbraw/zinc/41/49/66/1291414966.db2.gz MLDZSMHCNNBQPZ-SUMWQHHRSA-N 1 2 340.826 2.497 10 30 EEEELO C=C[C@@](C)(O)CC(=O)N[C@H]1CC[N@@H+](Cc2cccc(Cl)c2F)C1 ZINC001490537772 1291414969 /nfs/dbraw/zinc/41/49/69/1291414969.db2.gz MLDZSMHCNNBQPZ-SUMWQHHRSA-N 1 2 340.826 2.497 10 30 EEEELO CC[C@@H](Cc1ccccc1)C(=O)NC[C@@H]1CC[N@@H+]1CC#CCOC ZINC001276930472 1300324952 /nfs/dbraw/zinc/32/49/52/1300324952.db2.gz GNJMTXGOJWHMQP-OALUTQOASA-N 1 2 328.456 2.096 10 30 EEEELO CC[C@@H](Cc1ccccc1)C(=O)NC[C@@H]1CC[N@H+]1CC#CCOC ZINC001276930472 1300324965 /nfs/dbraw/zinc/32/49/65/1300324965.db2.gz GNJMTXGOJWHMQP-OALUTQOASA-N 1 2 328.456 2.096 10 30 EEEELO C=CCOCC[NH+]1CC(N(C)C(=O)[C@@H]2C[C@H]2c2cccc(C)c2)C1 ZINC001277671183 1304144738 /nfs/dbraw/zinc/14/47/38/1304144738.db2.gz PJDKMLNLCBUKDI-RBUKOAKNSA-N 1 2 328.456 2.444 10 30 EEEELO C=CCOCC(=O)N(C)C[C@@H](C)[NH2+][C@H](C)c1nc(C(C)(C)C)no1 ZINC001277771093 1304379088 /nfs/dbraw/zinc/37/90/88/1304379088.db2.gz LIKOVPBXXGBWMN-CHWSQXEVSA-N 1 2 338.452 2.067 10 30 EEEELO C=CCOCC(=O)N(C)C[C@H](C)[NH2+][C@@H](C)c1nc(C(C)(C)C)no1 ZINC001277771101 1304379414 /nfs/dbraw/zinc/37/94/14/1304379414.db2.gz LIKOVPBXXGBWMN-STQMWFEESA-N 1 2 338.452 2.067 10 30 EEEELO C#CCN(C(=O)c1cc[nH]c1)C1CC[NH+]([C@@H](C)c2ncccn2)CC1 ZINC001278157695 1306134961 /nfs/dbraw/zinc/13/49/61/1306134961.db2.gz SXHQRYMURBLNDF-HNNXBMFYSA-N 1 2 337.427 2.106 10 30 EEEELO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@]1(C)Cc1ccc(F)cc1 ZINC001119381029 1309059957 /nfs/dbraw/zinc/05/99/57/1309059957.db2.gz OOJURJCFWVNFSZ-QFBILLFUSA-N 1 2 348.418 2.196 10 30 EEEELO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N(CCF)CCOC ZINC001121613173 1310070649 /nfs/dbraw/zinc/07/06/49/1310070649.db2.gz VLMSEXKCOJEXJE-AWEZNQCLSA-N 1 2 325.432 2.043 10 30 EEEELO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N(CCF)CCOC ZINC001121613173 1310070661 /nfs/dbraw/zinc/07/06/61/1310070661.db2.gz VLMSEXKCOJEXJE-AWEZNQCLSA-N 1 2 325.432 2.043 10 30 EEEELO CC#CCCCC(=O)N[C@]1(C)CC[N@@H+]([C@@H](C)c2nc(CC)no2)C1 ZINC001278421739 1310193966 /nfs/dbraw/zinc/19/39/66/1310193966.db2.gz YIEGTFQVXBTWQE-KBXCAEBGSA-N 1 2 332.448 2.467 10 30 EEEELO CC#CCCCC(=O)N[C@]1(C)CC[N@H+]([C@@H](C)c2nc(CC)no2)C1 ZINC001278421739 1310193972 /nfs/dbraw/zinc/19/39/72/1310193972.db2.gz YIEGTFQVXBTWQE-KBXCAEBGSA-N 1 2 332.448 2.467 10 30 EEEELO CCCc1noc(C[N@@H+]2CCC[C@](C)(CNC(=O)C#CC(C)C)C2)n1 ZINC001278659343 1317584615 /nfs/dbraw/zinc/58/46/15/1317584615.db2.gz UAVVUEMNGOSNDU-LJQANCHMSA-N 1 2 346.475 2.400 10 30 EEEELO CCCc1noc(C[N@H+]2CCC[C@](C)(CNC(=O)C#CC(C)C)C2)n1 ZINC001278659343 1317584619 /nfs/dbraw/zinc/58/46/19/1317584619.db2.gz UAVVUEMNGOSNDU-LJQANCHMSA-N 1 2 346.475 2.400 10 30 EEEELO COc1ncccc1C[N@H+](C)CCN(C(=O)C#CC1CC1)C(C)C ZINC001278908436 1318634519 /nfs/dbraw/zinc/63/45/19/1318634519.db2.gz QWYZPVFSXJXUJZ-UHFFFAOYSA-N 1 2 329.444 2.172 10 30 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ZINC001261261673 1322052459 /nfs/dbraw/zinc/05/24/59/1322052459.db2.gz SCZMOZIDPWJWLW-SJORKVTESA-N 1 2 337.427 2.337 10 30 EEEELO C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC001261261673 1322052461 /nfs/dbraw/zinc/05/24/61/1322052461.db2.gz SCZMOZIDPWJWLW-SJORKVTESA-N 1 2 337.427 2.337 10 30 EEEELO C=CCn1c([C@@H]2C[C@@H](O)C[N@H+]2C)nnc1N(CC1CC1)CC1CCC1 ZINC001262946994 1322402254 /nfs/dbraw/zinc/40/22/54/1322402254.db2.gz BUQLFKIEMINYEY-SJORKVTESA-N 1 2 345.491 2.218 10 30 EEEELO C=CCn1c([C@@H]2C[C@@H](O)C[N@@H+]2C)nnc1N(CC1CC1)CC1CCC1 ZINC001262946994 1322402258 /nfs/dbraw/zinc/40/22/58/1322402258.db2.gz BUQLFKIEMINYEY-SJORKVTESA-N 1 2 345.491 2.218 10 30 EEEELO COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCc2ccccc21 ZINC001264363413 1322672531 /nfs/dbraw/zinc/67/25/31/1322672531.db2.gz BPRLENYPNRFNFF-QUCCMNQESA-N 1 2 340.467 2.289 10 30 EEEELO COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCc2ccccc21 ZINC001264363413 1322672534 /nfs/dbraw/zinc/67/25/34/1322672534.db2.gz BPRLENYPNRFNFF-QUCCMNQESA-N 1 2 340.467 2.289 10 30 EEEELO C=C1CC(C)(C(=O)N(C)C[C@@H]2CC[N@H+]2[C@@H](C)C(=O)NC2CCCC2)C1 ZINC001264370377 1322677043 /nfs/dbraw/zinc/67/70/43/1322677043.db2.gz BLIQCUVDWIFPDD-RDJZCZTQSA-N 1 2 347.503 2.323 10 30 EEEELO C=C1CC(C)(C(=O)N(C)C[C@@H]2CC[N@@H+]2[C@@H](C)C(=O)NC2CCCC2)C1 ZINC001264370377 1322677046 /nfs/dbraw/zinc/67/70/46/1322677046.db2.gz BLIQCUVDWIFPDD-RDJZCZTQSA-N 1 2 347.503 2.323 10 30 EEEELO C#CCOCCC(=O)N(C)C1CC[NH+](Cc2ncc(C(C)C)o2)CC1 ZINC001265192057 1322977621 /nfs/dbraw/zinc/97/76/21/1322977621.db2.gz NMSGXBLGDSMHPW-UHFFFAOYSA-N 1 2 347.459 2.261 10 30 EEEELO N#CCSCC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2)C1 ZINC001265203424 1322982225 /nfs/dbraw/zinc/98/22/25/1322982225.db2.gz JJRMNUNWGRYAMK-ZDUSSCGKSA-N 1 2 339.411 2.302 10 30 EEEELO N#CCSCC(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC001265203424 1322982226 /nfs/dbraw/zinc/98/22/26/1322982226.db2.gz JJRMNUNWGRYAMK-ZDUSSCGKSA-N 1 2 339.411 2.302 10 30 EEEELO COCC#CC[N@@H+]1CC[C@@H](NC(=O)c2sc(C(C)C)nc2C)C1 ZINC001265316686 1323064758 /nfs/dbraw/zinc/06/47/58/1323064758.db2.gz ARSGRDXNDGRXMA-CQSZACIVSA-N 1 2 335.473 2.029 10 30 EEEELO COCC#CC[N@H+]1CC[C@@H](NC(=O)c2sc(C(C)C)nc2C)C1 ZINC001265316686 1323064762 /nfs/dbraw/zinc/06/47/62/1323064762.db2.gz ARSGRDXNDGRXMA-CQSZACIVSA-N 1 2 335.473 2.029 10 30 EEEELO CC(C)(C)C#CC(=O)NC[C@H]([NH2+]Cc1nc(C2CCC2)no1)C1CC1 ZINC001265355186 1323095359 /nfs/dbraw/zinc/09/53/59/1323095359.db2.gz YNVPVPXSNDWABP-HNNXBMFYSA-N 1 2 344.459 2.371 10 30 EEEELO C=C[C@H](CC)CC(=O)N[C@@]1(CO)CCC[N@H+](Cc2ccc(F)cn2)C1 ZINC001279510096 1323920252 /nfs/dbraw/zinc/92/02/52/1323920252.db2.gz UWRCNSCKPCFGGC-BEFAXECRSA-N 1 2 349.450 2.266 10 30 EEEELO C=C[C@H](CC)CC(=O)N[C@@]1(CO)CCC[N@@H+](Cc2ccc(F)cn2)C1 ZINC001279510096 1323920256 /nfs/dbraw/zinc/92/02/56/1323920256.db2.gz UWRCNSCKPCFGGC-BEFAXECRSA-N 1 2 349.450 2.266 10 30 EEEELO C=CCCCC(=O)N1CCC[C@@H]1CN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001279884065 1324024101 /nfs/dbraw/zinc/02/41/01/1324024101.db2.gz OHYQREZQEFFLQY-OAHLLOKOSA-N 1 2 346.475 2.493 10 30 EEEELO C#CCCCCC(=O)NC1CCC(N(C)C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001280366913 1324179052 /nfs/dbraw/zinc/17/90/52/1324179052.db2.gz LRGVZWPGUFQSEI-UHFFFAOYSA-N 1 2 344.459 2.032 10 30 EEEELO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)COc1cccc(Cl)c1 ZINC001280422436 1324215272 /nfs/dbraw/zinc/21/52/72/1324215272.db2.gz YKSNXOPOGPYDPG-HNNXBMFYSA-N 1 2 338.835 2.112 10 30 EEEELO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)COc1cccc(Cl)c1 ZINC001280422436 1324215280 /nfs/dbraw/zinc/21/52/80/1324215280.db2.gz YKSNXOPOGPYDPG-HNNXBMFYSA-N 1 2 338.835 2.112 10 30 EEEELO C=C[C@H](C(=O)NCC1([NH2+]Cc2cnon2)CCC1)c1ccccc1 ZINC001280545147 1324288650 /nfs/dbraw/zinc/28/86/50/1324288650.db2.gz LVYHMZAGROZXMU-INIZCTEOSA-N 1 2 326.400 2.168 10 30 EEEELO C=CCC1(C(=O)N[C@H]2CCC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C2)CCC1 ZINC001280737905 1324461494 /nfs/dbraw/zinc/46/14/94/1324461494.db2.gz CVHTVAMTWNCTTH-CABCVRRESA-N 1 2 344.459 2.242 10 30 EEEELO C=CCCCC(=O)N[C@H]1CCC[N@@H+](Cc2nnnn2C(C)(C)C)CC1 ZINC001280757916 1324484667 /nfs/dbraw/zinc/48/46/67/1324484667.db2.gz XZGDLKLSBQXRFW-HNNXBMFYSA-N 1 2 348.495 2.255 10 30 EEEELO C=CCCCC(=O)N[C@H]1CCC[N@H+](Cc2nnnn2C(C)(C)C)CC1 ZINC001280757916 1324484672 /nfs/dbraw/zinc/48/46/72/1324484672.db2.gz XZGDLKLSBQXRFW-HNNXBMFYSA-N 1 2 348.495 2.255 10 30 EEEELO COc1ccnc(C[N@@H+]2C[C@@H](NC(=O)C#CC(C)(C)C)C(C)(C)C2)c1 ZINC001276579689 1324627745 /nfs/dbraw/zinc/62/77/45/1324627745.db2.gz NBXSTECJLPUADU-QGZVFWFLSA-N 1 2 343.471 2.466 10 30 EEEELO COc1ccnc(C[N@H+]2C[C@@H](NC(=O)C#CC(C)(C)C)C(C)(C)C2)c1 ZINC001276579689 1324627750 /nfs/dbraw/zinc/62/77/50/1324627750.db2.gz NBXSTECJLPUADU-QGZVFWFLSA-N 1 2 343.471 2.466 10 30 EEEELO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)COc1cc(C)ccc1C)CO2 ZINC001280978209 1324690847 /nfs/dbraw/zinc/69/08/47/1324690847.db2.gz GMKLUNOVUOPLQV-KRWDZBQOSA-N 1 2 344.455 2.218 10 30 EEEELO C=CCCCC(=O)N[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)[C@@H]1C ZINC001281217130 1324888777 /nfs/dbraw/zinc/88/87/77/1324888777.db2.gz ZUNXRMUVKYOKTB-ZBFHGGJFSA-N 1 2 332.448 2.194 10 30 EEEELO C=CCCCC(=O)N[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)[C@@H]1C ZINC001281217130 1324888781 /nfs/dbraw/zinc/88/87/81/1324888781.db2.gz ZUNXRMUVKYOKTB-ZBFHGGJFSA-N 1 2 332.448 2.194 10 30 EEEELO C=C1CCC(C(=O)NC2CC(N(C)C(=O)CCn3cc[nH+]c3)C2)CC1 ZINC001281350763 1324985163 /nfs/dbraw/zinc/98/51/63/1324985163.db2.gz LUJQSMZETNESSM-UHFFFAOYSA-N 1 2 344.459 2.125 10 30 EEEELO C=CCCCC(=O)N[C@@H]1CC[C@H](C)N(C(=O)CCc2[nH+]ccn2C)C1 ZINC001281418507 1325065134 /nfs/dbraw/zinc/06/51/34/1325065134.db2.gz TUBFKPFWJADOCJ-JKSUJKDBSA-N 1 2 346.475 2.205 10 30 EEEELO CC#CCCCC(=O)N[C@@H]1CC[N@H+](Cc2nnc(C)o2)CC1(C)C ZINC001281552770 1325264055 /nfs/dbraw/zinc/26/40/55/1325264055.db2.gz LDWZCCVNFCJYNG-OAHLLOKOSA-N 1 2 332.448 2.288 10 30 EEEELO CC#CCCCC(=O)N[C@@H]1CC[N@@H+](Cc2nnc(C)o2)CC1(C)C ZINC001281552770 1325264059 /nfs/dbraw/zinc/26/40/59/1325264059.db2.gz LDWZCCVNFCJYNG-OAHLLOKOSA-N 1 2 332.448 2.288 10 30 EEEELO C#CCO[C@@H](C)C(=O)N1CCC[C@H]1C[N@H+](C)CC=C(Cl)Cl ZINC001281932592 1325516080 /nfs/dbraw/zinc/51/60/80/1325516080.db2.gz NUPGFKVKTLECKF-STQMWFEESA-N 1 2 333.259 2.267 10 30 EEEELO C#CCO[C@@H](C)C(=O)N1CCC[C@H]1C[N@@H+](C)CC=C(Cl)Cl ZINC001281932592 1325516087 /nfs/dbraw/zinc/51/60/87/1325516087.db2.gz NUPGFKVKTLECKF-STQMWFEESA-N 1 2 333.259 2.267 10 30 EEEELO C=C(C)C[NH+]1CC(CCO)(NC(=O)[C@@H]2C[C@H]2c2cccc(C)c2)C1 ZINC001282538707 1325738863 /nfs/dbraw/zinc/73/88/63/1325738863.db2.gz CRKPMYBIESUYPF-ZWKOTPCHSA-N 1 2 328.456 2.228 10 30 EEEELO C=C(C)C[NH2+]CCCOC1CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC001282581606 1325744615 /nfs/dbraw/zinc/74/46/15/1325744615.db2.gz BKXMHEHIHOSMMU-ZDUSSCGKSA-N 1 2 340.361 2.450 10 30 EEEELO C=C(C)C[NH2+]CCCOC1CCN(C(=O)[C@H](F)C(F)(F)F)CC1 ZINC001282581606 1325744616 /nfs/dbraw/zinc/74/46/16/1325744616.db2.gz BKXMHEHIHOSMMU-ZDUSSCGKSA-N 1 2 340.361 2.450 10 30 EEEELO C=C[C@@](C)(CC)C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3ncnn3C(C)C)C[C@H]21 ZINC001282873173 1325816484 /nfs/dbraw/zinc/81/64/84/1325816484.db2.gz HEEDQASUDILAJZ-GGXPGOJBSA-N 1 2 345.491 2.255 10 30 EEEELO C=C[C@@](C)(CC)C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3ncnn3C(C)C)C[C@H]21 ZINC001282873173 1325816487 /nfs/dbraw/zinc/81/64/87/1325816487.db2.gz HEEDQASUDILAJZ-GGXPGOJBSA-N 1 2 345.491 2.255 10 30 EEEELO C#CCCCC(=O)N(C)C[C@H](C)[NH2+]Cc1nnc(C(F)F)s1 ZINC001283605141 1326158723 /nfs/dbraw/zinc/15/87/23/1326158723.db2.gz APVYEOLXWZXDGG-JTQLQIEISA-N 1 2 330.404 2.216 10 30 EEEELO C=C(C)CCC(=O)N1CCC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC[C@H]21 ZINC001284075177 1326395229 /nfs/dbraw/zinc/39/52/29/1326395229.db2.gz ROSAFQMQQJLGCG-NVXWUHKLSA-N 1 2 344.459 2.148 10 30 EEEELO C=CCC(C)(C)C(=O)N[C@H]1C[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001284092110 1326402457 /nfs/dbraw/zinc/40/24/57/1326402457.db2.gz IYOQMQSWOFNBOG-SOUVJXGZSA-N 1 2 332.448 2.200 10 30 EEEELO C=C1CCC(C(=O)N[C@H](C)CNC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001284237815 1326470544 /nfs/dbraw/zinc/47/05/44/1326470544.db2.gz CVWAUBYPDUHRHX-HUUCEWRRSA-N 1 2 332.448 2.202 10 30 EEEELO C=C[C@@H](CC)CC(=O)N[C@H](C)CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001284241970 1326471746 /nfs/dbraw/zinc/47/17/46/1326471746.db2.gz GVTQOOLORRXAER-HIFRSBDPSA-N 1 2 342.443 2.480 10 30 EEEELO C=C[C@@H](CC)CC(=O)NCCN(C)C(=O)c1cccc2[nH+]ccn21 ZINC001284573435 1326615056 /nfs/dbraw/zinc/61/50/56/1326615056.db2.gz FXTUHMMATFNVLM-AWEZNQCLSA-N 1 2 328.416 2.125 10 30 EEEELO C#CCCCC(=O)N[C@@H](C)C1CC[NH+](Cc2nc(C3CC3)no2)CC1 ZINC001284712512 1326678773 /nfs/dbraw/zinc/67/87/73/1326678773.db2.gz NENGLQSTCFVNNS-AWEZNQCLSA-N 1 2 344.459 2.467 10 30 EEEELO C=C[C@](C)(CC)C(=O)N1CC[C@@H](CN(C)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001284843919 1326740476 /nfs/dbraw/zinc/74/04/76/1326740476.db2.gz KJNPEMOEVAZBAA-HNAYVOBHSA-N 1 2 346.475 2.170 10 30 EEEELO C=CCCCC(=O)N(C)CC1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001284852621 1326745149 /nfs/dbraw/zinc/74/51/49/1326745149.db2.gz HQIQXRFFUZQQQZ-UHFFFAOYSA-N 1 2 346.475 2.314 10 30 EEEELO C=C(C)CCC(=O)N[C@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001284863017 1326749319 /nfs/dbraw/zinc/74/93/19/1326749319.db2.gz OCPOTOIMRQJMMS-HOTGVXAUSA-N 1 2 332.448 2.298 10 30 EEEELO C=C[C@@H](CC)CC(=O)N1CC(CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001284980217 1326809137 /nfs/dbraw/zinc/80/91/37/1326809137.db2.gz WJISIJCSBGJPFS-ZDUSSCGKSA-N 1 2 340.427 2.353 10 30 EEEELO C=C[C@H](CC)CC(=O)NCC1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001284988205 1326814544 /nfs/dbraw/zinc/81/45/44/1326814544.db2.gz IPHPGSANOSWGDK-OAHLLOKOSA-N 1 2 346.475 2.104 10 30 EEEELO C=CC(C)(C)CC(=O)N(CC)[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001285021085 1326833298 /nfs/dbraw/zinc/83/32/98/1326833298.db2.gz YIAWWUJCJWISPH-HNNXBMFYSA-N 1 2 346.475 2.014 10 30 EEEELO C=CCC(C)(C)C(=O)N1CC[C@H](N(CC)C(=O)CCn2cc[nH+]c2)C1 ZINC001285026042 1326835548 /nfs/dbraw/zinc/83/55/48/1326835548.db2.gz OASHCCZWRIFZAB-INIZCTEOSA-N 1 2 346.475 2.325 10 30 EEEELO C=C(C)C[C@@H](C)C(=O)NC[C@@](C)(NC(=O)Cc1[nH]c[nH+]c1C)C1CC1 ZINC001285140149 1326886017 /nfs/dbraw/zinc/88/60/17/1326886017.db2.gz BBJMOUAKKMBEIH-BFUOFWGJSA-N 1 2 346.475 2.264 10 30 EEEELO C#CCCCCC(=O)N[C@H]1CC[C@H](NC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001285172714 1326901452 /nfs/dbraw/zinc/90/14/52/1326901452.db2.gz YMDHPKAFQHIJTB-WKILWMFISA-N 1 2 344.459 2.080 10 30 EEEELO C=CCC1(C(=O)N(C)[C@@H](C)CNC(=O)CCn2cc[nH+]c2)CCCC1 ZINC001285758263 1327140595 /nfs/dbraw/zinc/14/05/95/1327140595.db2.gz GNHZJOMUEKQUIB-INIZCTEOSA-N 1 2 346.475 2.373 10 30 EEEELO C#CCC1(C(=O)NC[C@H](C)NC(=O)c2c(C)cc(C)[nH+]c2C)CCC1 ZINC001285764273 1327142585 /nfs/dbraw/zinc/14/25/85/1327142585.db2.gz IOPFGXCGMQCYEZ-HNNXBMFYSA-N 1 2 341.455 2.435 10 30 EEEELO C=CC(C)(C)C(=O)N[C@H]1CCC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001286340853 1327378350 /nfs/dbraw/zinc/37/83/50/1327378350.db2.gz KUILTMZVLBUUFR-KGLIPLIRSA-N 1 2 332.448 2.016 10 30 EEEELO C#CC[NH+]1CCN(c2nnc(C3CCC3)n2C[C@H](CCC)OC)CC1 ZINC001286480557 1327399435 /nfs/dbraw/zinc/39/94/35/1327399435.db2.gz YUAWRLAELHHGKV-KRWDZBQOSA-N 1 2 345.491 2.116 10 30 EEEELO C=CCCC(=O)NCC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1C ZINC001291580345 1328307494 /nfs/dbraw/zinc/30/74/94/1328307494.db2.gz ZPPBYEVPMDJWSD-KLHDSHLOSA-N 1 2 344.459 2.080 10 30 EEEELO C=CCCC(=O)NCC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1C ZINC001291580345 1328307502 /nfs/dbraw/zinc/30/75/02/1328307502.db2.gz ZPPBYEVPMDJWSD-KLHDSHLOSA-N 1 2 344.459 2.080 10 30 EEEELO C=CCCC(=O)N1CCC[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)CC[C@@H]21 ZINC001295185611 1329787561 /nfs/dbraw/zinc/78/75/61/1329787561.db2.gz QFOFXQRHVPHJFL-WBVHZDCISA-N 1 2 344.459 2.148 10 30 EEEELO C=CCCC(=O)N1CCC[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)CC[C@@H]21 ZINC001295185611 1329787563 /nfs/dbraw/zinc/78/75/63/1329787563.db2.gz QFOFXQRHVPHJFL-WBVHZDCISA-N 1 2 344.459 2.148 10 30 EEEELO C=CCCC(=O)N1CCC[C@H]1[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001295296994 1329798724 /nfs/dbraw/zinc/79/87/24/1329798724.db2.gz ROHMIEWPVDBWFC-SJORKVTESA-N 1 2 344.459 2.291 10 30 EEEELO C=C(C)CCC(=O)N1CCC([C@H](C)NC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001296650278 1329906944 /nfs/dbraw/zinc/90/69/44/1329906944.db2.gz IONOXMSZOFWGKS-HNNXBMFYSA-N 1 2 346.475 2.442 10 30 EEEELO C=CCCCC(=O)N1CC[NH+](CCN(C)C(=O)C[C@@H]2C=CCC2)CC1 ZINC001296825394 1329922531 /nfs/dbraw/zinc/92/25/31/1329922531.db2.gz RSEDVHAVICZQOI-GOSISDBHSA-N 1 2 347.503 2.302 10 30 EEEELO C=CCCC(=O)N1CC[NH+](CCN(C)C(=O)[C@H]2CCC[C@H]2CC)CC1 ZINC001296829585 1329922912 /nfs/dbraw/zinc/92/29/12/1329922912.db2.gz LDEQIESIKJTLRG-MSOLQXFVSA-N 1 2 349.519 2.382 10 30 EEEELO C=CCCC(=O)N1CC[NH+](CCN(C)C(=O)[C@H]2CCCC2(C)C)CC1 ZINC001296830458 1329922946 /nfs/dbraw/zinc/92/29/46/1329922946.db2.gz XIQVVFRLHVKVGT-QGZVFWFLSA-N 1 2 349.519 2.382 10 30 EEEELO C=C[C@@](C)(CC)C(=O)NC1(CNC(=O)Cc2[nH]c[nH+]c2C)CCCC1 ZINC001297800962 1330005069 /nfs/dbraw/zinc/00/50/69/1330005069.db2.gz RADROWYDGAGADR-SFHVURJKSA-N 1 2 346.475 2.408 10 30 EEEELO C=CC(C)(C)C(=O)N[C@@H](CNC(=O)C[C@@H](C)n1cc[nH+]c1)C(C)C ZINC001297976243 1330024424 /nfs/dbraw/zinc/02/44/24/1330024424.db2.gz IMARWSQOGDDGLP-CABCVRRESA-N 1 2 334.464 2.303 10 30 EEEELO C=C1CC(C)(C(=O)NC[C@@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C(C)C)C1 ZINC001298015372 1330028465 /nfs/dbraw/zinc/02/84/65/1330028465.db2.gz RREXMYQSPWPGJV-GDBMZVCRSA-N 1 2 346.475 2.202 10 30 EEEELO C=C1CC(C)(C(=O)NC[C@@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C(C)C)C1 ZINC001298015372 1330028466 /nfs/dbraw/zinc/02/84/66/1330028466.db2.gz RREXMYQSPWPGJV-GDBMZVCRSA-N 1 2 346.475 2.202 10 30 EEEELO C=CC1(CC(=O)N(C)CCN(C)C(=O)Cc2c[nH+]c[nH]2)CCCCC1 ZINC001298090686 1330033796 /nfs/dbraw/zinc/03/37/96/1330033796.db2.gz VVZPMENPNDEODX-UHFFFAOYSA-N 1 2 346.475 2.396 10 30 EEEELO C=CCCC(=O)NC1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001492104233 1330472340 /nfs/dbraw/zinc/47/23/40/1330472340.db2.gz GSFZXTAARLRXBP-UHFFFAOYSA-N 1 2 326.400 2.250 10 30 EEEELO C#CCCCCC(=O)NCC[N@@H+](C)Cc1nc2ccccc2n1C ZINC001492229996 1331101917 /nfs/dbraw/zinc/10/19/17/1331101917.db2.gz AHKWFAFOAVDKKE-UHFFFAOYSA-N 1 2 326.444 2.315 10 30 EEEELO C#CCCCCC(=O)NCC[N@H+](C)Cc1nc2ccccc2n1C ZINC001492229996 1331101920 /nfs/dbraw/zinc/10/19/20/1331101920.db2.gz AHKWFAFOAVDKKE-UHFFFAOYSA-N 1 2 326.444 2.315 10 30 EEEELO C#CC[NH2+]Cc1nc2c(s1)CCN(C(=O)[C@@H]1C[C@@]1(C)C(C)C)C2 ZINC001316805646 1331836357 /nfs/dbraw/zinc/83/63/57/1331836357.db2.gz GYRUAQNKAHHDKE-UGSOOPFHSA-N 1 2 331.485 2.433 10 30 EEEELO C=CCCO[C@@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccc(F)cn2)[C@@H]1C ZINC001316777462 1331888474 /nfs/dbraw/zinc/88/84/74/1331888474.db2.gz PJTYZWNOGKIBFS-KEYYUXOJSA-N 1 2 335.423 2.281 10 30 EEEELO C=CCCO[C@@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccc(F)cn2)[C@@H]1C ZINC001316777462 1331888481 /nfs/dbraw/zinc/88/84/81/1331888481.db2.gz PJTYZWNOGKIBFS-KEYYUXOJSA-N 1 2 335.423 2.281 10 30 EEEELO C=C(C)[C@@H](CC(=O)N[C@H]1CC[N@H+](Cc2ccn(CC)n2)[C@@H]1C)OCC ZINC001316783207 1331892397 /nfs/dbraw/zinc/89/23/97/1331892397.db2.gz LBCZGPTZTQQXRA-BPQIPLTHSA-N 1 2 348.491 2.353 10 30 EEEELO C=C(C)[C@@H](CC(=O)N[C@H]1CC[N@@H+](Cc2ccn(CC)n2)[C@@H]1C)OCC ZINC001316783207 1331892400 /nfs/dbraw/zinc/89/24/00/1331892400.db2.gz LBCZGPTZTQQXRA-BPQIPLTHSA-N 1 2 348.491 2.353 10 30 EEEELO C=CCCC(=O)N[C@H]1CC[N@H+](Cc2nnnn2C2CC2)CC(C)(C)C1 ZINC001316807875 1331904129 /nfs/dbraw/zinc/90/41/29/1331904129.db2.gz KWEQROMGHLMDRI-AWEZNQCLSA-N 1 2 346.479 2.081 10 30 EEEELO C=CCCC(=O)N[C@H]1CC[N@@H+](Cc2nnnn2C2CC2)CC(C)(C)C1 ZINC001316807875 1331904130 /nfs/dbraw/zinc/90/41/30/1331904130.db2.gz KWEQROMGHLMDRI-AWEZNQCLSA-N 1 2 346.479 2.081 10 30 EEEELO C#CC[NH2+]Cc1nc2c(s1)CCN(C(=O)c1ccc(Cl)o1)C2 ZINC001316809956 1331906299 /nfs/dbraw/zinc/90/62/99/1331906299.db2.gz QXARLPLGNCDIEE-UHFFFAOYSA-N 1 2 335.816 2.311 10 30 EEEELO C=C[C@@H](CC)CC(=O)N[C@H]1CC[N@H+](CC(=O)N(C)c2ccccc2)C1 ZINC001316984690 1332029817 /nfs/dbraw/zinc/02/98/17/1332029817.db2.gz DRTITISHBVIGNN-IRXDYDNUSA-N 1 2 343.471 2.442 10 30 EEEELO C=C[C@@H](CC)CC(=O)N[C@H]1CC[N@@H+](CC(=O)N(C)c2ccccc2)C1 ZINC001316984690 1332029820 /nfs/dbraw/zinc/02/98/20/1332029820.db2.gz DRTITISHBVIGNN-IRXDYDNUSA-N 1 2 343.471 2.442 10 30 EEEELO C=CCCC(=O)NC[C@@H]1CCC[N@H+]1CC(=O)Nc1cccc(OC)c1 ZINC001317498578 1332266464 /nfs/dbraw/zinc/26/64/64/1332266464.db2.gz SBSJNCSTEHGUSL-INIZCTEOSA-N 1 2 345.443 2.181 10 30 EEEELO C=CCCC(=O)NC[C@@H]1CCC[N@@H+]1CC(=O)Nc1cccc(OC)c1 ZINC001317498578 1332266467 /nfs/dbraw/zinc/26/64/67/1332266467.db2.gz SBSJNCSTEHGUSL-INIZCTEOSA-N 1 2 345.443 2.181 10 30 EEEELO C#Cc1ccccc1CC(=O)N(C)CC[NH2+]Cc1nc(C)c(C)o1 ZINC001317658681 1332354155 /nfs/dbraw/zinc/35/41/55/1332354155.db2.gz WMKWXSCQSDHMJR-UHFFFAOYSA-N 1 2 325.412 2.063 10 30 EEEELO C[C@@H]([NH2+]CCN(C)C(=O)CC#Cc1ccccc1)c1csnn1 ZINC001317662705 1332357239 /nfs/dbraw/zinc/35/72/39/1332357239.db2.gz GNWVPZIVZIELBX-CQSZACIVSA-N 1 2 328.441 2.089 10 30 EEEELO C[N@@H+](Cc1nnc(C2CC2)[nH]1)C[C@H]1CCN(C(=O)C#CC(C)(C)C)C1 ZINC001317834976 1332424907 /nfs/dbraw/zinc/42/49/07/1332424907.db2.gz AQYQKLYJYIRBRA-CQSZACIVSA-N 1 2 343.475 2.012 10 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ZINC001318386155 1332520744 /nfs/dbraw/zinc/52/07/44/1332520744.db2.gz LBBVYLFIJSEVID-GOEBONIOSA-N 1 2 335.448 2.305 10 30 EEEELO C=CCCO[C@@H](C)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2nc(C)oc2C)C1 ZINC001318386155 1332520748 /nfs/dbraw/zinc/52/07/48/1332520748.db2.gz LBBVYLFIJSEVID-GOEBONIOSA-N 1 2 335.448 2.305 10 30 EEEELO CCCCc1nc(C[NH2+]C[C@@](C)(NC(=O)C#CC(C)C)C2CC2)no1 ZINC001318687434 1332577904 /nfs/dbraw/zinc/57/79/04/1332577904.db2.gz XBHKFPCMHQAXIE-LJQANCHMSA-N 1 2 346.475 2.446 10 30 EEEELO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)COc2ccccc2CC)C1 ZINC001319334517 1332687646 /nfs/dbraw/zinc/68/76/46/1332687646.db2.gz ZGCMUTXDZSLGRC-QGZVFWFLSA-N 1 2 332.444 2.021 10 30 EEEELO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)COc2ccccc2CC)C1 ZINC001319334517 1332687649 /nfs/dbraw/zinc/68/76/49/1332687649.db2.gz ZGCMUTXDZSLGRC-QGZVFWFLSA-N 1 2 332.444 2.021 10 30 EEEELO C[C@H](CC[NH2+]Cc1ccccc1C#N)NC(=O)c1ccc2[nH]nnc2c1 ZINC001320633302 1332925404 /nfs/dbraw/zinc/92/54/04/1332925404.db2.gz FMIXMLXCZKSYKI-CYBMUJFWSA-N 1 2 348.410 2.128 10 30 EEEELO CCC1(C(=O)N2CCC([N@H+](CC#N)CC3CC3)CC2)CCOCC1 ZINC001323736499 1333528167 /nfs/dbraw/zinc/52/81/67/1333528167.db2.gz QWRYDGMEGRGQPL-UHFFFAOYSA-N 1 2 333.476 2.420 10 30 EEEELO CCC1(C(=O)N2CCC([N@@H+](CC#N)CC3CC3)CC2)CCOCC1 ZINC001323736499 1333528170 /nfs/dbraw/zinc/52/81/70/1333528170.db2.gz QWRYDGMEGRGQPL-UHFFFAOYSA-N 1 2 333.476 2.420 10 30 EEEELO C#CCN(C(=O)c1ccc[nH]1)C1CC[NH+]([C@H](C)c2nnc(C)o2)CC1 ZINC001324361533 1333665271 /nfs/dbraw/zinc/66/52/71/1333665271.db2.gz CUNLANPJWNVOBH-CYBMUJFWSA-N 1 2 341.415 2.007 10 30 EEEELO C#CCN(C(=O)/C(C)=C/CC)C1CC[NH+](Cc2cn(CC)nn2)CC1 ZINC001324375082 1333668615 /nfs/dbraw/zinc/66/86/15/1333668615.db2.gz YSCRFTAQYURXLQ-LZYBPNLTSA-N 1 2 343.475 2.081 10 30 EEEELO N#CCN1CC[C@H]([NH+]2CCN(C(=O)CCCC3CCCC3)CC2)C1 ZINC001324571623 1333712949 /nfs/dbraw/zinc/71/29/49/1333712949.db2.gz NOMAQTPHGSOXBC-SFHVURJKSA-N 1 2 332.492 2.089 10 30 EEEELO CC#CCCCC(=O)NC[C@@]1(C)CCC[N@H+](Cc2ncccn2)C1 ZINC001324958964 1333796952 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2.010 10 30 EEEELO C#CCCCCC(=O)N[C@H]1CC[N@H+](Cc2nc(CC)no2)[C@@H]1CC ZINC001264050337 1322600152 /nfs/dbraw/zinc/60/01/52/1322600152.db2.gz JWCJTGILQJXPCN-LSDHHAIUSA-N 1 2 332.448 2.295 10 30 EEEELO C#CCCCCC(=O)N[C@H]1CC[N@@H+](Cc2nc(CC)no2)[C@@H]1CC ZINC001264050337 1322600158 /nfs/dbraw/zinc/60/01/58/1322600158.db2.gz JWCJTGILQJXPCN-LSDHHAIUSA-N 1 2 332.448 2.295 10 30 EEEELO CC1(C)C[C@@H](NC(=O)C#CC2CC2)CC[N@H+](Cc2nncs2)C1 ZINC001264192745 1322658914 /nfs/dbraw/zinc/65/89/14/1322658914.db2.gz FEPSHIOWTOCVMN-AWEZNQCLSA-N 1 2 332.473 2.058 10 30 EEEELO CC1(C)C[C@@H](NC(=O)C#CC2CC2)CC[N@@H+](Cc2nncs2)C1 ZINC001264192745 1322658918 /nfs/dbraw/zinc/65/89/18/1322658918.db2.gz FEPSHIOWTOCVMN-AWEZNQCLSA-N 1 2 332.473 2.058 10 30 EEEELO C#CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)CCC2CCCCCC2)C1 ZINC001265219753 1322992638 /nfs/dbraw/zinc/99/26/38/1322992638.db2.gz BKQIZFRVJLHNHV-SFHVURJKSA-N 1 2 347.503 2.067 10 30 EEEELO C#CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)CCC2CCCCCC2)C1 ZINC001265219753 1322992640 /nfs/dbraw/zinc/99/26/40/1322992640.db2.gz BKQIZFRVJLHNHV-SFHVURJKSA-N 1 2 347.503 2.067 10 30 EEEELO COCC#CC[N@@H+]1CC[C@H](NC(=O)c2sc(C(C)C)nc2C)C1 ZINC001265316685 1323064955 /nfs/dbraw/zinc/06/49/55/1323064955.db2.gz ARSGRDXNDGRXMA-AWEZNQCLSA-N 1 2 335.473 2.029 10 30 EEEELO COCC#CC[N@H+]1CC[C@H](NC(=O)c2sc(C(C)C)nc2C)C1 ZINC001265316685 1323064972 /nfs/dbraw/zinc/06/49/72/1323064972.db2.gz ARSGRDXNDGRXMA-AWEZNQCLSA-N 1 2 335.473 2.029 10 30 EEEELO O=C(NC[C@@H]([NH2+]CC#Cc1ccccc1)C1CC1)c1[nH]nc2c1CCC2 ZINC001265362876 1323098052 /nfs/dbraw/zinc/09/80/52/1323098052.db2.gz UFZUULSMXWVHLD-LJQANCHMSA-N 1 2 348.450 2.048 10 30 EEEELO C=CCCC(=O)NC[C@H]1CCC[N@@H+](Cc2cn(C(C)(C)C)nn2)C1 ZINC001265578158 1323230938 /nfs/dbraw/zinc/23/09/38/1323230938.db2.gz TVTIUWYPPSGFGV-OAHLLOKOSA-N 1 2 333.480 2.328 10 30 EEEELO C=CCCC(=O)NC[C@H]1CCC[N@H+](Cc2cn(C(C)(C)C)nn2)C1 ZINC001265578158 1323230944 /nfs/dbraw/zinc/23/09/44/1323230944.db2.gz TVTIUWYPPSGFGV-OAHLLOKOSA-N 1 2 333.480 2.328 10 30 EEEELO C=C[C@@](C)(CC)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ncnn2CC)C1 ZINC001265591334 1323247908 /nfs/dbraw/zinc/24/79/08/1323247908.db2.gz SJTGMXADOLHIHQ-YJBOKZPZSA-N 1 2 333.480 2.229 10 30 EEEELO C=C[C@@](C)(CC)C(=O)NC[C@@H]1CCC[N@H+](Cc2ncnn2CC)C1 ZINC001265591334 1323247917 /nfs/dbraw/zinc/24/79/17/1323247917.db2.gz SJTGMXADOLHIHQ-YJBOKZPZSA-N 1 2 333.480 2.229 10 30 EEEELO CC(C)C#CC(=O)N[C@@H](C)[C@H]1CCC[N@H+](Cc2nnc(C(C)C)[nH]2)C1 ZINC001265703060 1323338584 /nfs/dbraw/zinc/33/85/84/1323338584.db2.gz KUOHKGVDMLAOOZ-HOTGVXAUSA-N 1 2 345.491 2.304 10 30 EEEELO CC(C)C#CC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](Cc2nnc(C(C)C)[nH]2)C1 ZINC001265703060 1323338593 /nfs/dbraw/zinc/33/85/93/1323338593.db2.gz KUOHKGVDMLAOOZ-HOTGVXAUSA-N 1 2 345.491 2.304 10 30 EEEELO CC(C)(C)C#CC(=O)NCCC[C@@H]1CCC[N@@H+]1Cc1csnn1 ZINC001266214214 1323782184 /nfs/dbraw/zinc/78/21/84/1323782184.db2.gz BKDYQKQPFKJNTH-OAHLLOKOSA-N 1 2 334.489 2.448 10 30 EEEELO CC(C)(C)C#CC(=O)NCCC[C@@H]1CCC[N@H+]1Cc1csnn1 ZINC001266214214 1323782190 /nfs/dbraw/zinc/78/21/90/1323782190.db2.gz BKDYQKQPFKJNTH-OAHLLOKOSA-N 1 2 334.489 2.448 10 30 EEEELO COc1ncccc1C[N@@H+]1CCC[C@H](NC(=O)C#CC(C)(C)C)C1 ZINC001266218971 1323788454 /nfs/dbraw/zinc/78/84/54/1323788454.db2.gz UMWDNICRDZOWIF-INIZCTEOSA-N 1 2 329.444 2.220 10 30 EEEELO COc1ncccc1C[N@H+]1CCC[C@H](NC(=O)C#CC(C)(C)C)C1 ZINC001266218971 1323788462 /nfs/dbraw/zinc/78/84/62/1323788462.db2.gz UMWDNICRDZOWIF-INIZCTEOSA-N 1 2 329.444 2.220 10 30 EEEELO C=C[C@@H](CC)CC(=O)N[C@]1(CO)CCC[N@H+](Cc2ccc(F)cn2)C1 ZINC001279510098 1323920098 /nfs/dbraw/zinc/92/00/98/1323920098.db2.gz UWRCNSCKPCFGGC-HNAYVOBHSA-N 1 2 349.450 2.266 10 30 EEEELO C=C[C@@H](CC)CC(=O)N[C@]1(CO)CCC[N@@H+](Cc2ccc(F)cn2)C1 ZINC001279510098 1323920103 /nfs/dbraw/zinc/92/01/03/1323920103.db2.gz UWRCNSCKPCFGGC-HNAYVOBHSA-N 1 2 349.450 2.266 10 30 EEEELO C=C[C@](C)(O)CC(=O)NCC1=CC[N@H+](Cc2csc(C)n2)CC1 ZINC001279544672 1323932349 /nfs/dbraw/zinc/93/23/49/1323932349.db2.gz KWDYVELAPJHJHT-KRWDZBQOSA-N 1 2 335.473 2.027 10 30 EEEELO C=C[C@](C)(O)CC(=O)NCC1=CC[N@@H+](Cc2csc(C)n2)CC1 ZINC001279544672 1323932353 /nfs/dbraw/zinc/93/23/53/1323932353.db2.gz KWDYVELAPJHJHT-KRWDZBQOSA-N 1 2 335.473 2.027 10 30 EEEELO C=C(C)CCC(=O)N1CCC[C@@H]1CN(C)C(=O)CCn1cc[nH+]c1 ZINC001279837917 1324008930 /nfs/dbraw/zinc/00/89/30/1324008930.db2.gz HYDAHYONNHGARB-MRXNPFEDSA-N 1 2 332.448 2.079 10 30 EEEELO C=CC(C)(C)C(=O)N[C@@H](C)CCCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001280854347 1324576357 /nfs/dbraw/zinc/57/63/57/1324576357.db2.gz UUZQFPJIYQILIJ-GJZGRUSLSA-N 1 2 346.475 2.059 10 30 EEEELO C=C1CCC(C(=O)N(C)CCC[N@@H+](C)[C@H](C)c2nncn2C)CC1 ZINC001280855962 1324577629 /nfs/dbraw/zinc/57/76/29/1324577629.db2.gz FRKKXEZYYHJBAD-OAHLLOKOSA-N 1 2 333.480 2.403 10 30 EEEELO C=C1CCC(C(=O)N(C)CCC[N@H+](C)[C@H](C)c2nncn2C)CC1 ZINC001280855962 1324577635 /nfs/dbraw/zinc/57/76/35/1324577635.db2.gz FRKKXEZYYHJBAD-OAHLLOKOSA-N 1 2 333.480 2.403 10 30 EEEELO C=CCCCC(=O)N1CCOC2(C[NH+](C[C@@H](OC)C3CCC3)C2)C1 ZINC001280907100 1324626520 /nfs/dbraw/zinc/62/65/20/1324626520.db2.gz MYVRKANOGITNPF-QGZVFWFLSA-N 1 2 336.476 2.071 10 30 EEEELO C=CCC(CC=C)C(=O)N[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)[C@H]1C ZINC001281148114 1324794978 /nfs/dbraw/zinc/79/49/78/1324794978.db2.gz NPCKVUKCBSUFMB-DOTOQJQBSA-N 1 2 344.459 2.147 10 30 EEEELO C=C(C)CCC(=O)N1C[C@H](NC(=O)CCCn2cc[nH+]c2)C[C@@H]1C ZINC001281175401 1324826779 /nfs/dbraw/zinc/82/67/79/1324826779.db2.gz ZWVNQHRSGNKFJW-JKSUJKDBSA-N 1 2 332.448 2.125 10 30 EEEELO C#CCCCC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2nc(C3CCCC3)no2)C1 ZINC001281388955 1325026906 /nfs/dbraw/zinc/02/69/06/1325026906.db2.gz BCSBODLNHRHBCH-ZBFHGGJFSA-N 1 2 344.459 2.467 10 30 EEEELO C=CCOCCCC(=O)N[C@@H]1CC[N@H+](Cc2ncc(C)cn2)[C@@H](C)C1 ZINC001281659209 1325376971 /nfs/dbraw/zinc/37/69/71/1325376971.db2.gz OCCWSYHGUOPHMF-DLBZAZTESA-N 1 2 346.475 2.237 10 30 EEEELO C=CCOCCCC(=O)N[C@@H]1CC[N@@H+](Cc2ncc(C)cn2)[C@@H](C)C1 ZINC001281659209 1325376982 /nfs/dbraw/zinc/37/69/82/1325376982.db2.gz OCCWSYHGUOPHMF-DLBZAZTESA-N 1 2 346.475 2.237 10 30 EEEELO C=C(Br)C[N@H+]1CC[C@H](NC(=O)C#CC2CC2)C[C@H]1C ZINC001281665536 1325384013 /nfs/dbraw/zinc/38/40/13/1325384013.db2.gz RZOOYJKBQOLPHJ-OCCSQVGLSA-N 1 2 325.250 2.278 10 30 EEEELO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)C#CC2CC2)C[C@H]1C ZINC001281665536 1325384022 /nfs/dbraw/zinc/38/40/22/1325384022.db2.gz RZOOYJKBQOLPHJ-OCCSQVGLSA-N 1 2 325.250 2.278 10 30 EEEELO C=C(C)CCC(=O)N1C[C@@H](C)[C@H](CCNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001282554532 1325740653 /nfs/dbraw/zinc/74/06/53/1325740653.db2.gz XHGFETCPMOWHRA-GDBMZVCRSA-N 1 2 346.475 2.218 10 30 EEEELO C=CC(C)(C)CC(=O)NC[C@@H]1CCCCC[N@H+]1Cc1nncn1C ZINC001282668494 1325761364 /nfs/dbraw/zinc/76/13/64/1325761364.db2.gz ZENGFCUZTXTMKO-HNNXBMFYSA-N 1 2 333.480 2.278 10 30 EEEELO C=CC(C)(C)CC(=O)NC[C@@H]1CCCCC[N@@H+]1Cc1nncn1C ZINC001282668494 1325761366 /nfs/dbraw/zinc/76/13/66/1325761366.db2.gz ZENGFCUZTXTMKO-HNNXBMFYSA-N 1 2 333.480 2.278 10 30 EEEELO C=C1CC(C)(C(=O)N[C@H]2C[N@@H+](CC(=O)NC(CC)CC)CC2(C)C)C1 ZINC001282823156 1325798657 /nfs/dbraw/zinc/79/86/57/1325798657.db2.gz VDLHKDGTBXPAFH-INIZCTEOSA-N 1 2 349.519 2.474 10 30 EEEELO C=C1CC(C)(C(=O)N[C@H]2C[N@H+](CC(=O)NC(CC)CC)CC2(C)C)C1 ZINC001282823156 1325798658 /nfs/dbraw/zinc/79/86/58/1325798658.db2.gz VDLHKDGTBXPAFH-INIZCTEOSA-N 1 2 349.519 2.474 10 30 EEEELO C#CCCCC(=O)N1C[C@]2(C)C[N@@H+](Cc3nnc(CC)o3)C[C@]2(C)C1 ZINC001282985710 1325868169 /nfs/dbraw/zinc/86/81/69/1325868169.db2.gz QKCKMDJOFYBOAB-KDURUIRLSA-N 1 2 344.459 2.106 10 30 EEEELO C#CCCCC(=O)N1C[C@]2(C)C[N@H+](Cc3nnc(CC)o3)C[C@]2(C)C1 ZINC001282985710 1325868170 /nfs/dbraw/zinc/86/81/70/1325868170.db2.gz QKCKMDJOFYBOAB-KDURUIRLSA-N 1 2 344.459 2.106 10 30 EEEELO C#Cc1ccc(C(=O)N[C@@H](C)CCC[NH2+]CC(F)(F)C(F)F)cn1 ZINC001283267897 1325980618 /nfs/dbraw/zinc/98/06/18/1325980618.db2.gz HUSFKNIWGKENCB-NSHDSACASA-N 1 2 345.340 2.451 10 30 EEEELO CCc1noc(C[N@@H+]2CC[C@@]3(NC(=O)C#CC(C)(C)C)CCC[C@H]23)n1 ZINC001284051153 1326381182 /nfs/dbraw/zinc/38/11/82/1326381182.db2.gz MQUJQQVZQAXHFG-LIRRHRJNSA-N 1 2 344.459 2.295 10 30 EEEELO CCc1noc(C[N@H+]2CC[C@@]3(NC(=O)C#CC(C)(C)C)CCC[C@H]23)n1 ZINC001284051153 1326381184 /nfs/dbraw/zinc/38/11/84/1326381184.db2.gz MQUJQQVZQAXHFG-LIRRHRJNSA-N 1 2 344.459 2.295 10 30 EEEELO C=CCCC(=O)N1CC[C@@H]2[C@@H](CCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001284075661 1326395780 /nfs/dbraw/zinc/39/57/80/1326395780.db2.gz WVCBAMQFGIQZLE-DOTOQJQBSA-N 1 2 344.459 2.148 10 30 EEEELO C=CCCC(=O)N1CC[C@@H]2[C@@H](CCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001284075661 1326395783 /nfs/dbraw/zinc/39/57/83/1326395783.db2.gz WVCBAMQFGIQZLE-DOTOQJQBSA-N 1 2 344.459 2.148 10 30 EEEELO C=C(C)CCC(=O)N[C@H](C)C1CC[NH+](Cc2nc(N(C)C)no2)CC1 ZINC001284686757 1326667010 /nfs/dbraw/zinc/66/70/10/1326667010.db2.gz WIMZMMXSYMHXGE-CQSZACIVSA-N 1 2 349.479 2.209 10 30 EEEELO C=CCC(C)(C)C(=O)N1CCC([C@H](C)NC(=O)Cn2cc[nH+]c2)CC1 ZINC001284760526 1326699914 /nfs/dbraw/zinc/69/99/14/1326699914.db2.gz 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ZINC001340257816 1337147233 /nfs/dbraw/zinc/14/72/33/1337147233.db2.gz BVNQTHVCCPHNMO-DWAHBXKPSA-N 1 2 345.491 2.384 10 30 EEEELO C=CCn1c([C@@H]2C[C@H](O)C[N@H+]2C)nnc1N1CCC[C@H](C/C=C/C)C1 ZINC001340257816 1337147236 /nfs/dbraw/zinc/14/72/36/1337147236.db2.gz BVNQTHVCCPHNMO-DWAHBXKPSA-N 1 2 345.491 2.384 10 30 EEEELO C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N1C[C@]2(C)COC[C@]2(C)C1 ZINC001341750780 1337297761 /nfs/dbraw/zinc/29/77/61/1337297761.db2.gz WNCUCSAMQBHNPY-KDURUIRLSA-N 1 2 345.491 2.313 10 30 EEEELO C=C(C)CCC(=O)N1C[C@H]2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@H]21 ZINC001343876606 1337354489 /nfs/dbraw/zinc/35/44/89/1337354489.db2.gz BOARENQHOOADMW-HUUCEWRRSA-N 1 2 344.459 2.103 10 30 EEEELO C=C(C)C(C)(C)C(=O)N(C)C[C@@H]1CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001344174040 1337375748 /nfs/dbraw/zinc/37/57/48/1337375748.db2.gz FEFHNRGTTZROHH-HNNXBMFYSA-N 1 2 332.448 2.004 10 30 EEEELO C=C(C)C(C)(C)C(=O)N(C)C[C@@H]1CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001344174040 1337375752 /nfs/dbraw/zinc/37/57/52/1337375752.db2.gz FEFHNRGTTZROHH-HNNXBMFYSA-N 1 2 332.448 2.004 10 30 EEEELO C#CCCCCCC(=O)N(C)C1CC[NH+]([C@@H](C)c2nncn2C)CC1 ZINC001479890372 1337521759 /nfs/dbraw/zinc/52/17/59/1337521759.db2.gz JDCKSCOFLHUACA-INIZCTEOSA-N 1 2 345.491 2.383 10 30 EEEELO C=CCCCCCN(C)c1nnc([C@H]2C[C@H](O)C[N@@H+]2C)n1CC=C ZINC001351603582 1337831470 /nfs/dbraw/zinc/83/14/70/1337831470.db2.gz GSQLNJQFVKUXSP-JKSUJKDBSA-N 1 2 333.480 2.384 10 30 EEEELO C=CCCCCCN(C)c1nnc([C@H]2C[C@H](O)C[N@H+]2C)n1CC=C ZINC001351603582 1337831475 /nfs/dbraw/zinc/83/14/75/1337831475.db2.gz GSQLNJQFVKUXSP-JKSUJKDBSA-N 1 2 333.480 2.384 10 30 EEEELO C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N(C)Cc1nnc(C)s1 ZINC001355968762 1338776237 /nfs/dbraw/zinc/77/62/37/1338776237.db2.gz XMACOJKCDBJKSO-UHFFFAOYSA-N 1 2 347.492 2.246 10 30 EEEELO C=CC(C)(C)C(=O)N(CCC)CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001356490894 1338825809 /nfs/dbraw/zinc/82/58/09/1338825809.db2.gz CWHXXLQSVBGPKO-ZIAGYGMSSA-N 1 2 332.448 2.080 10 30 EEEELO C=CC(C)(C)C(=O)N(CCC)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001356490894 1338825813 /nfs/dbraw/zinc/82/58/13/1338825813.db2.gz CWHXXLQSVBGPKO-ZIAGYGMSSA-N 1 2 332.448 2.080 10 30 EEEELO C=C[C@](C)(CC)C(=O)N(C)CC[NH+]1CCN(C(=O)CCCC)CC1 ZINC001356700973 1338865497 /nfs/dbraw/zinc/86/54/97/1338865497.db2.gz KCSHJVGENPFQAA-LJQANCHMSA-N 1 2 337.508 2.382 10 30 EEEELO C=C(C)CCC(=O)N[C@@H](CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)C(C)C ZINC001357103258 1338960786 /nfs/dbraw/zinc/96/07/86/1338960786.db2.gz GQMARALCKVEZGY-CVEARBPZSA-N 1 2 346.475 2.059 10 30 EEEELO C#CCCCCCC(=O)NC[C@@H]1CCCCC[N@H+]1Cc1cnn(C)n1 ZINC001506572212 1342254221 /nfs/dbraw/zinc/25/42/21/1342254221.db2.gz QGKCCCVDBWGQIT-SFHVURJKSA-N 1 2 345.491 2.260 10 30 EEEELO C#CCCCCCC(=O)NC[C@@H]1CCCCC[N@@H+]1Cc1cnn(C)n1 ZINC001506572212 1342254226 /nfs/dbraw/zinc/25/42/26/1342254226.db2.gz QGKCCCVDBWGQIT-SFHVURJKSA-N 1 2 345.491 2.260 10 30 EEEELO C=CCCO[C@H](C)C(=O)N[C@@H](C)C1C[NH+](Cc2nc(C)cs2)C1 ZINC001506591523 1342263406 /nfs/dbraw/zinc/26/34/06/1342263406.db2.gz KMCZVCZUXPCRAW-UONOGXRCSA-N 1 2 337.489 2.369 10 30 EEEELO C=C[C@@](C)(CCOC)C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1cnoc1C ZINC001565821052 1342563319 /nfs/dbraw/zinc/56/33/19/1342563319.db2.gz GJQXEXPZEGMKAV-AEFFLSMTSA-N 1 2 335.448 2.245 10 30 EEEELO C=C[C@@](C)(CCOC)C(=O)N(C)C[C@H]1CC[N@H+]1Cc1cnoc1C ZINC001565821052 1342563324 /nfs/dbraw/zinc/56/33/24/1342563324.db2.gz GJQXEXPZEGMKAV-AEFFLSMTSA-N 1 2 335.448 2.245 10 30 EEEELO CO[C@H](C(=O)N[C@H]1CCC[N@H+](CC#Cc2ccccc2)C1)C1CC1 ZINC001566622351 1342583081 /nfs/dbraw/zinc/58/30/81/1342583081.db2.gz WEXKAUCCHRBHMX-OALUTQOASA-N 1 2 326.440 2.044 10 30 EEEELO CO[C@H](C(=O)N[C@H]1CCC[N@@H+](CC#Cc2ccccc2)C1)C1CC1 ZINC001566622351 1342583086 /nfs/dbraw/zinc/58/30/86/1342583086.db2.gz WEXKAUCCHRBHMX-OALUTQOASA-N 1 2 326.440 2.044 10 30 EEEELO Cc1noc(C[N@@H+]2CC[C@@H]3[C@H](CCCN3C(=O)C#CC(C)(C)C)C2)n1 ZINC001566824181 1342635925 /nfs/dbraw/zinc/63/59/25/1342635925.db2.gz GAZHJVCRIBJHJI-HZPDHXFCSA-N 1 2 344.459 2.240 10 30 EEEELO Cc1noc(C[N@H+]2CC[C@@H]3[C@H](CCCN3C(=O)C#CC(C)(C)C)C2)n1 ZINC001566824181 1342635928 /nfs/dbraw/zinc/63/59/28/1342635928.db2.gz GAZHJVCRIBJHJI-HZPDHXFCSA-N 1 2 344.459 2.240 10 30 EEEELO C=C(C)C[NH+]1CC(CCO)(NC(=O)C2(Cc3ccc(F)cc3)CC2)C1 ZINC001675102094 1356934095 /nfs/dbraw/zinc/93/40/95/1356934095.db2.gz QXBSYGZEUZWYDK-UHFFFAOYSA-N 1 2 346.446 2.278 10 30 EEEELO C=CCC(C)(C)C(=O)NC[C@H]1CC[N@@H+]1Cc1cc(=O)[nH]c(C2CC2)n1 ZINC001569375002 1342860761 /nfs/dbraw/zinc/86/07/61/1342860761.db2.gz PQEFGYAQMQDCOG-OAHLLOKOSA-N 1 2 344.459 2.352 10 30 EEEELO C=CCC(C)(C)C(=O)NC[C@H]1CC[N@H+]1Cc1cc(=O)[nH]c(C2CC2)n1 ZINC001569375002 1342860764 /nfs/dbraw/zinc/86/07/64/1342860764.db2.gz PQEFGYAQMQDCOG-OAHLLOKOSA-N 1 2 344.459 2.352 10 30 EEEELO C#CCCCCC(=O)NCC1(O)C[NH+](Cc2ccc(CC)cc2)C1 ZINC001569770755 1342942448 /nfs/dbraw/zinc/94/24/48/1342942448.db2.gz MLLHLUPMKBFETC-UHFFFAOYSA-N 1 2 328.456 2.106 10 30 EEEELO CCCC(=O)N[C@]1(CO)CCC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC001569889057 1342970689 /nfs/dbraw/zinc/97/06/89/1342970689.db2.gz ZEGFEUMDYDMHJB-LJQANCHMSA-N 1 2 348.874 2.435 10 30 EEEELO CCCC(=O)N[C@]1(CO)CCC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC001569889057 1342970692 /nfs/dbraw/zinc/97/06/92/1342970692.db2.gz ZEGFEUMDYDMHJB-LJQANCHMSA-N 1 2 348.874 2.435 10 30 EEEELO C#Cc1ccccc1CC(=O)N[C@H](C)C1C[NH+](Cc2ccns2)C1 ZINC001570860140 1343124251 /nfs/dbraw/zinc/12/42/51/1343124251.db2.gz MUYGRAAFKROJJH-CQSZACIVSA-N 1 2 339.464 2.304 10 30 EEEELO C#CCCCCCC(=O)N[C@]12CCC[C@@H]1[N@H+](Cc1cnon1)CC2 ZINC001571503251 1343221508 /nfs/dbraw/zinc/22/15/08/1343221508.db2.gz OYQMQNRTIALDHN-WMZOPIPTSA-N 1 2 330.432 2.267 10 30 EEEELO C#CCCCCCC(=O)N[C@]12CCC[C@@H]1[N@@H+](Cc1cnon1)CC2 ZINC001571503251 1343221510 /nfs/dbraw/zinc/22/15/10/1343221510.db2.gz OYQMQNRTIALDHN-WMZOPIPTSA-N 1 2 330.432 2.267 10 30 EEEELO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[C@@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001572457391 1343497063 /nfs/dbraw/zinc/49/70/63/1343497063.db2.gz ZJNVQKKIYWZUEA-HUUCEWRRSA-N 1 2 346.475 2.346 10 30 EEEELO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[C@@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001572457391 1343497064 /nfs/dbraw/zinc/49/70/64/1343497064.db2.gz ZJNVQKKIYWZUEA-HUUCEWRRSA-N 1 2 346.475 2.346 10 30 EEEELO C=C(C)CCC(=O)N1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@H]1C ZINC001573528628 1343643054 /nfs/dbraw/zinc/64/30/54/1343643054.db2.gz KTVZHTAJDASWCX-CVEARBPZSA-N 1 2 346.475 2.389 10 30 EEEELO C=CC(C)(C)C(=O)N[C@H]1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)[C@@H]1C ZINC001573565917 1343643851 /nfs/dbraw/zinc/64/38/51/1343643851.db2.gz JGPQYBMLSYOQTC-RDBSUJKOSA-N 1 2 344.459 2.147 10 30 EEEELO C=C[C@H](CC)CC(=O)NC[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001578953511 1344324470 /nfs/dbraw/zinc/32/44/70/1344324470.db2.gz SVBPNUJQNMRDPR-IAGOWNOFSA-N 1 2 346.475 2.230 10 30 EEEELO C=CC(C)(C)CC(=O)N[C@H](C)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001579060885 1344335931 /nfs/dbraw/zinc/33/59/31/1344335931.db2.gz LZIFJDSSRPICNO-HZPDHXFCSA-N 1 2 346.475 2.229 10 30 EEEELO C#CCCCC(=O)N[C@@]12CCC[C@@H]1[N@H+](Cc1nnc(CC)o1)CC2 ZINC001676803548 1357206625 /nfs/dbraw/zinc/20/66/25/1357206625.db2.gz TUOGSEZUJWIZKZ-KBXCAEBGSA-N 1 2 330.432 2.049 10 30 EEEELO C#CCCCC(=O)N[C@@]12CCC[C@@H]1[N@@H+](Cc1nnc(CC)o1)CC2 ZINC001676803548 1357206628 /nfs/dbraw/zinc/20/66/28/1357206628.db2.gz TUOGSEZUJWIZKZ-KBXCAEBGSA-N 1 2 330.432 2.049 10 30 EEEELO C=C(C)CCC(=O)NC[C@@H](NC(=O)[C@H]1CCCc2[nH+]c[nH]c21)C(C)C ZINC001582913224 1344830580 /nfs/dbraw/zinc/83/05/80/1344830580.db2.gz LKJHTDSMVWNOKC-GOEBONIOSA-N 1 2 346.475 2.443 10 30 EEEELO C=C(C)C(C)(C)C(=O)N[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1CC ZINC001584549721 1348744891 /nfs/dbraw/zinc/74/48/91/1348744891.db2.gz XPAFOBZIXZZHCC-HUUCEWRRSA-N 1 2 346.475 2.298 10 30 EEEELO C=C(C)C(C)(C)C(=O)NC[C@H](C)N(C)C(=O)Cc1c[nH+]ccc1OC ZINC001678276129 1357493584 /nfs/dbraw/zinc/49/35/84/1357493584.db2.gz PWSUAMBGRPVMLY-AWEZNQCLSA-N 1 2 347.459 2.198 10 30 EEEELO C=CCC[C@H](O)C[N@@H+](C)Cc1nnc2n1CCC[C@@H]2C(F)(F)F ZINC001655590150 1354179348 /nfs/dbraw/zinc/17/93/48/1354179348.db2.gz USGIRNYJZRLMOK-RYUDHWBXSA-N 1 2 332.370 2.477 10 30 EEEELO C=CCC[C@H](O)C[N@H+](C)Cc1nnc2n1CCC[C@@H]2C(F)(F)F ZINC001655590150 1354179351 /nfs/dbraw/zinc/17/93/51/1354179351.db2.gz USGIRNYJZRLMOK-RYUDHWBXSA-N 1 2 332.370 2.477 10 30 EEEELO C=C[C@@](C)(CC)C(=O)N1CCC[C@H]([N@H+](CCO)Cc2nocc2C)C1 ZINC001656779566 1354275589 /nfs/dbraw/zinc/27/55/89/1354275589.db2.gz CRFYVSSMYYPREB-LPHOPBHVSA-N 1 2 349.475 2.371 10 30 EEEELO C=C[C@@](C)(CC)C(=O)N1CCC[C@H]([N@@H+](CCO)Cc2nocc2C)C1 ZINC001656779566 1354275591 /nfs/dbraw/zinc/27/55/91/1354275591.db2.gz CRFYVSSMYYPREB-LPHOPBHVSA-N 1 2 349.475 2.371 10 30 EEEELO C#Cc1ccc(C(=O)NCCC[N@H+](Cc2cnns2)C2CC2)cc1 ZINC001660712799 1354522664 /nfs/dbraw/zinc/52/26/64/1354522664.db2.gz UHYDMGQEVOAHOG-UHFFFAOYSA-N 1 2 340.452 2.304 10 30 EEEELO C#Cc1ccc(C(=O)NCCC[N@@H+](Cc2cnns2)C2CC2)cc1 ZINC001660712799 1354522668 /nfs/dbraw/zinc/52/26/68/1354522668.db2.gz UHYDMGQEVOAHOG-UHFFFAOYSA-N 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ZINC001660859671 1354552701 /nfs/dbraw/zinc/55/27/01/1354552701.db2.gz UYENBUAILJIOQQ-OAHLLOKOSA-N 1 2 337.851 2.408 10 30 EEEELO CCCc1noc(C[N@@H+]2CCC[C@H]([C@@H](C)NC(=O)C#CC(C)C)C2)n1 ZINC001661988559 1354735939 /nfs/dbraw/zinc/73/59/39/1354735939.db2.gz ACNLMKYONGJGRQ-CVEARBPZSA-N 1 2 346.475 2.398 10 30 EEEELO CCCc1noc(C[N@H+]2CCC[C@H]([C@@H](C)NC(=O)C#CC(C)C)C2)n1 ZINC001661988559 1354735941 /nfs/dbraw/zinc/73/59/41/1354735941.db2.gz ACNLMKYONGJGRQ-CVEARBPZSA-N 1 2 346.475 2.398 10 30 EEEELO CCCc1noc(C[N@@H+]2CCC[C@H]([C@H](C)NC(=O)C#CC(C)C)C2)n1 ZINC001661988560 1354736137 /nfs/dbraw/zinc/73/61/37/1354736137.db2.gz ACNLMKYONGJGRQ-HOTGVXAUSA-N 1 2 346.475 2.398 10 30 EEEELO CCCc1noc(C[N@H+]2CCC[C@H]([C@H](C)NC(=O)C#CC(C)C)C2)n1 ZINC001661988560 1354736140 /nfs/dbraw/zinc/73/61/40/1354736140.db2.gz ACNLMKYONGJGRQ-HOTGVXAUSA-N 1 2 346.475 2.398 10 30 EEEELO C=CCN1CC[NH+](CCN(C)C(=O)c2ccc(F)c3occc32)CC1 ZINC001664786204 1355229230 /nfs/dbraw/zinc/22/92/30/1355229230.db2.gz 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EEEELO CCCC[C@H](ON=C(C)C)C(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000855410778 1293206000 /nfs/dbraw/zinc/20/60/00/1293206000.db2.gz LSDDFEQVFRGANR-XHSDSOJGSA-N 1 2 327.469 2.183 10 30 EEEELO CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857976625 1293974612 /nfs/dbraw/zinc/97/46/12/1293974612.db2.gz IIWFGQUZWJMXRO-QWHCGFSZSA-N 1 2 347.419 2.031 10 30 EEEELO N#Cc1ccccc1NC(=O)CCCC(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857981055 1293976956 /nfs/dbraw/zinc/97/69/56/1293976956.db2.gz WPQNDRIZKTVDRC-HNNXBMFYSA-N 1 2 337.383 2.125 10 30 EEEELO CC(C)(C)c1cnc(C[NH2+]C/C=C/CNC(=O)c2c[nH]c(C#N)c2)o1 ZINC001273967480 1296052959 /nfs/dbraw/zinc/05/29/59/1296052959.db2.gz ZUCQHDPOXLDSRP-SNAWJCMRSA-N 1 2 341.415 2.248 10 30 EEEELO C=C[C@H](CC)CC(=O)N1CC2(C1)CCC[N@@H+]([C@H](C)c1nncn1C)C2 ZINC001276868840 1299997696 /nfs/dbraw/zinc/99/76/96/1299997696.db2.gz AIQWXNISQIRVSV-HZPDHXFCSA-N 1 2 345.491 2.403 10 30 EEEELO C=C[C@H](CC)CC(=O)N1CC2(C1)CCC[N@H+]([C@H](C)c1nncn1C)C2 ZINC001276868840 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1322521318 /nfs/dbraw/zinc/52/13/18/1322521318.db2.gz WUUJDDMNLWKPAJ-SJORKVTESA-N 1 2 347.503 2.276 10 30 EEEELO C=CCN1CC[C@H]([N@@H+]2CC[C@@H]2CN(C)C(=O)C2(CCCC)CC2)C1=O ZINC001263810390 1322521322 /nfs/dbraw/zinc/52/13/22/1322521322.db2.gz WUUJDDMNLWKPAJ-SJORKVTESA-N 1 2 347.503 2.276 10 30 EEEELO CC(C)C#CC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2noc(CC(C)C)n2)C1 ZINC001263898952 1322550203 /nfs/dbraw/zinc/55/02/03/1322550203.db2.gz NENGRYAQJSYEET-JKSUJKDBSA-N 1 2 346.475 2.302 10 30 EEEELO C=C/C(C)=C\CC(=O)NCc1nc(C[NH2+]CC(=C)Cl)cc(=O)[nH]1 ZINC001264027039 1322587676 /nfs/dbraw/zinc/58/76/76/1322587676.db2.gz SNTQZAWPCGRIOJ-WZUFQYTHSA-N 1 2 336.823 2.163 10 30 EEEELO C=CCC(C)(C)C(=O)N[C@H]1CC[N@H+](Cc2cn(CC)nn2)[C@@H]1CC ZINC001264063667 1322603614 /nfs/dbraw/zinc/60/36/14/1322603614.db2.gz HTEAIERPNUIFTR-JKSUJKDBSA-N 1 2 333.480 2.369 10 30 EEEELO C=CCC(C)(C)C(=O)N[C@H]1CC[N@@H+](Cc2cn(CC)nn2)[C@@H]1CC ZINC001264063667 1322603618 /nfs/dbraw/zinc/60/36/18/1322603618.db2.gz HTEAIERPNUIFTR-JKSUJKDBSA-N 1 2 333.480 2.369 10 30 EEEELO C=CCCOCC(=O)N(C)C[C@H]1CC[N@@H+]1Cc1cnn(C(C)(C)C)c1 ZINC001264382688 1322684427 /nfs/dbraw/zinc/68/44/27/1322684427.db2.gz NRUZYZKRWLIXRJ-QGZVFWFLSA-N 1 2 348.491 2.264 10 30 EEEELO C=CCCOCC(=O)N(C)C[C@H]1CC[N@H+]1Cc1cnn(C(C)(C)C)c1 ZINC001264382688 1322684433 /nfs/dbraw/zinc/68/44/33/1322684433.db2.gz NRUZYZKRWLIXRJ-QGZVFWFLSA-N 1 2 348.491 2.264 10 30 EEEELO C=CCC(C)(C)C(=O)N[C@@H](C)[C@H]1CCC[N@H+](Cc2ncnn2C)C1 ZINC001265706364 1323342873 /nfs/dbraw/zinc/34/28/73/1323342873.db2.gz UUFKEMYHNNHCOO-GJZGRUSLSA-N 1 2 333.480 2.134 10 30 EEEELO C=CCC(C)(C)C(=O)N[C@@H](C)[C@H]1CCC[N@@H+](Cc2ncnn2C)C1 ZINC001265706364 1323342879 /nfs/dbraw/zinc/34/28/79/1323342879.db2.gz UUFKEMYHNNHCOO-GJZGRUSLSA-N 1 2 333.480 2.134 10 30 EEEELO C=CCC(C)(C)C(=O)N[C@H]1CCC[N@@H+](CC(=O)N2CCC[C@H](C)C2)C1 ZINC001266239884 1323826018 /nfs/dbraw/zinc/82/60/18/1323826018.db2.gz KQWYTTHFQOEIPR-IRXDYDNUSA-N 1 2 349.519 2.428 10 30 EEEELO 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2.247 10 30 EEEELO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H](C)Oc1cccc(C)c1)O2 ZINC001484791255 1191527179 /nfs/dbraw/zinc/52/71/79/1191527179.db2.gz RCLBATAWRTZTSQ-WMZOPIPTSA-N 1 2 344.455 2.298 10 30 EEEELO COCC#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)C=C(C)C ZINC001485004591 1191611516 /nfs/dbraw/zinc/61/15/16/1191611516.db2.gz KVHSTQVWLZJAQV-LJQANCHMSA-N 1 2 326.440 2.318 10 30 EEEELO COCC#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)C=C(C)C ZINC001485004591 1191611518 /nfs/dbraw/zinc/61/15/18/1191611518.db2.gz KVHSTQVWLZJAQV-LJQANCHMSA-N 1 2 326.440 2.318 10 30 EEEELO C=C(Br)C[NH+]1CCC(CO)(NC(=O)CCC2CC2)CC1 ZINC001485015498 1191616802 /nfs/dbraw/zinc/61/68/02/1191616802.db2.gz HPOZJOMNEOPANR-UHFFFAOYSA-N 1 2 345.281 2.028 10 30 EEEELO C=CCCC(=O)N[C@]1(CNC(=O)Cc2c[nH]c[nH+]2)CCCC[C@H]1C ZINC001746478956 1191645274 /nfs/dbraw/zinc/64/52/74/1191645274.db2.gz VTDDKFJMDVBISD-KDOFPFPSSA-N 1 2 332.448 2.100 10 30 EEEELO C=C[C@@](C)(O)CC(=O)NC[C@H](C)[N@H+](C)Cc1cc(-c2ccco2)on1 ZINC001485297472 1191724211 /nfs/dbraw/zinc/72/42/11/1191724211.db2.gz KHVBRGXSPYKZNN-SCLBCKFNSA-N 1 2 347.415 2.198 10 30 EEEELO C=C[C@@](C)(O)CC(=O)NC[C@H](C)[N@@H+](C)Cc1cc(-c2ccco2)on1 ZINC001485297472 1191724213 /nfs/dbraw/zinc/72/42/13/1191724213.db2.gz KHVBRGXSPYKZNN-SCLBCKFNSA-N 1 2 347.415 2.198 10 30 EEEELO CCCCc1noc(C[NH+]2CCC([C@@H](C)NC(=O)[C@@H](C)C#N)CC2)n1 ZINC001486435614 1193954163 /nfs/dbraw/zinc/95/41/63/1193954163.db2.gz IERXBFWFPQBHNE-UONOGXRCSA-N 1 2 347.463 2.289 10 30 EEEELO C#CCCCC(=O)N[C@@H](C)C1CC[NH+]([C@H](C)c2nnc(C)[nH]2)CC1 ZINC001486445852 1193960306 /nfs/dbraw/zinc/96/03/06/1193960306.db2.gz OFFQIWXAFDDVHI-UONOGXRCSA-N 1 2 331.464 2.194 10 30 EEEELO C=C[C@@](C)(CC)C(=O)N1CCC[C@@H]1CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001486570669 1194088338 /nfs/dbraw/zinc/08/83/38/1194088338.db2.gz WHVQKEYEOVXNSP-QAPCUYQASA-N 1 2 332.448 2.004 10 30 EEEELO C[C@H](C#N)C(=O)N(C)C[C@@H](C)[NH2+]Cc1ncsc1Br ZINC001410351945 1197743231 /nfs/dbraw/zinc/74/32/31/1197743231.db2.gz RGFSDUPRCSLSBL-RKDXNWHRSA-N 1 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LPIQFAVCXRZTJQ-HOCLYGCPSA-N 1 2 344.459 2.194 10 30 EEEELO C=C(C)CCC(=O)N[C@@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)[C@@H]1C ZINC001488261736 1287139020 /nfs/dbraw/zinc/13/90/20/1287139020.db2.gz BVYYQLCYUGIOQW-HUUCEWRRSA-N 1 2 332.448 2.194 10 30 EEEELO C=C[C@](C)(CC)C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2nnn(C(C)(C)C)n2)C1 ZINC001488771713 1290184089 /nfs/dbraw/zinc/18/40/89/1290184089.db2.gz QJWNFOKJYIEFPC-QWQRMKEZSA-N 1 2 348.495 2.015 10 30 EEEELO C=CCCC(=O)NC[C@@H](C)N(CC)C(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001488900694 1290264002 /nfs/dbraw/zinc/26/40/02/1290264002.db2.gz BHSKYWDTIPXWHS-ZIAGYGMSSA-N 1 2 332.448 2.149 10 30 EEEELO C=C1CC(C)(C(=O)N2C[C@@H](C)[C@H](NC(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC001489453490 1290569794 /nfs/dbraw/zinc/56/97/94/1290569794.db2.gz SPXNMWKYXDMODA-OWCLPIDISA-N 1 2 344.459 2.154 10 30 EEEELO C#CCCCCC(=O)N1CCCCC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001490056724 1290918429 /nfs/dbraw/zinc/91/84/29/1290918429.db2.gz BDDABXNICNNHFW-MRXNPFEDSA-N 1 2 344.459 2.033 10 30 EEEELO C=C[C@](C)(O)CC(=O)N[C@@H]1CCC[N@@H+](Cc2nc(C)sc2C)C1 ZINC001490434606 1291347870 /nfs/dbraw/zinc/34/78/70/1291347870.db2.gz GUVXTCAFTMPUMI-PBHICJAKSA-N 1 2 337.489 2.168 10 30 EEEELO C=C[C@](C)(O)CC(=O)N[C@@H]1CCC[N@H+](Cc2nc(C)sc2C)C1 ZINC001490434606 1291347881 /nfs/dbraw/zinc/34/78/81/1291347881.db2.gz GUVXTCAFTMPUMI-PBHICJAKSA-N 1 2 337.489 2.168 10 30 EEEELO Cc1nc(CC[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)C#CC(C)C)cs1 ZINC001490792377 1291736401 /nfs/dbraw/zinc/73/64/01/1291736401.db2.gz HEUBIQKDRKMVCX-CALCHBBNSA-N 1 2 331.485 2.329 10 30 EEEELO Cc1nc(CC[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)C#CC(C)C)cs1 ZINC001490792377 1291736407 /nfs/dbraw/zinc/73/64/07/1291736407.db2.gz HEUBIQKDRKMVCX-CALCHBBNSA-N 1 2 331.485 2.329 10 30 EEEELO C#CCNC(=O)[C@@H](C)[N@H+]1Cc2ccccc2[C@H](C(=O)OC(C)(C)C)C1 ZINC000852319361 1292091760 /nfs/dbraw/zinc/09/17/60/1292091760.db2.gz KYWFKXDWRQJZJT-RHSMWYFYSA-N 1 2 342.439 2.065 10 30 EEEELO C#CCNC(=O)[C@@H](C)[N@@H+]1Cc2ccccc2[C@H](C(=O)OC(C)(C)C)C1 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C=CCCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](F)C(F)(F)F)C2)C1 ZINC001570884552 1343126815 /nfs/dbraw/zinc/12/68/15/1343126815.db2.gz MTUYGVHJMYKKKQ-OCCSQVGLSA-N 1 2 338.345 2.156 10 30 EEEELO C=C1CCC(C(=O)NCCOCC[N@@H+](C)Cc2cc(C)on2)CC1 ZINC001676126953 1357110519 /nfs/dbraw/zinc/11/05/19/1357110519.db2.gz BIMNXOKFHLFXNS-UHFFFAOYSA-N 1 2 335.448 2.294 10 30 EEEELO C=C1CCC(C(=O)NCCOCC[N@H+](C)Cc2cc(C)on2)CC1 ZINC001676126953 1357110524 /nfs/dbraw/zinc/11/05/24/1357110524.db2.gz BIMNXOKFHLFXNS-UHFFFAOYSA-N 1 2 335.448 2.294 10 30 EEEELO CC(C)C#CC(=O)N(C)C[C@@H](C)[NH2+]Cc1nc(CCC(C)C)no1 ZINC001571387286 1343202359 /nfs/dbraw/zinc/20/23/59/1343202359.db2.gz RWHLKUZUKTZNRM-OAHLLOKOSA-N 1 2 334.464 2.254 10 30 EEEELO C=CCOCC(=O)N[C@@]12CCC[C@H]1[N@@H+](CC(=C)Br)CC2 ZINC001571496304 1343219628 /nfs/dbraw/zinc/21/96/28/1343219628.db2.gz CCBCDENBYIFJJV-UKRRQHHQSA-N 1 2 343.265 2.211 10 30 EEEELO C=CCOCC(=O)N[C@@]12CCC[C@H]1[N@H+](CC(=C)Br)CC2 ZINC001571496304 1343219627 /nfs/dbraw/zinc/21/96/27/1343219627.db2.gz CCBCDENBYIFJJV-UKRRQHHQSA-N 1 2 343.265 2.211 10 30 EEEELO C=CC(C)(C)C(=O)NCCC[C@H](C)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001572119477 1343402363 /nfs/dbraw/zinc/40/23/63/1343402363.db2.gz FOGJZNMXWPMMBM-LSDHHAIUSA-N 1 2 346.475 2.059 10 30 EEEELO C=C1CC(C)(C(=O)N(C)C[C@H](C)NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001572296385 1343456011 /nfs/dbraw/zinc/45/60/11/1343456011.db2.gz INWLTAKQKGZAGJ-KBPBESRZSA-N 1 2 344.459 2.149 10 30 EEEELO C=CCCC(=O)N1CC[C@@H](NC(=O)c2cccc3[nH+]ccn32)[C@@H]1C ZINC001572364061 1343464062 /nfs/dbraw/zinc/46/40/62/1343464062.db2.gz CFHKUEWPLPVERI-UONOGXRCSA-N 1 2 326.400 2.020 10 30 EEEELO C=CCNC(=O)C[N@@H+](C)CCN(C(=O)c1cccc(C)c1)C(C)C ZINC001677188917 1357292237 /nfs/dbraw/zinc/29/22/37/1357292237.db2.gz NHGVFTTYFGQQEZ-UHFFFAOYSA-N 1 2 331.460 2.080 10 30 EEEELO C=CCNC(=O)C[N@H+](C)CCN(C(=O)c1cccc(C)c1)C(C)C ZINC001677188917 1357292240 /nfs/dbraw/zinc/29/22/40/1357292240.db2.gz NHGVFTTYFGQQEZ-UHFFFAOYSA-N 1 2 331.460 2.080 10 30 EEEELO C=CCN(C)c1nnc([C@@H](C)CC)n1CC1([NH+]2CCOCC2)CC1 ZINC001594858042 1349878227 /nfs/dbraw/zinc/87/82/27/1349878227.db2.gz WRDKKFSSFXMXGL-HNNXBMFYSA-N 1 2 333.480 2.279 10 30 EEEELO C=CCC1(C(=O)N(C)[C@@H](C)CNC(=O)Cc2[nH]c[nH+]c2C)CCCC1 ZINC001678271932 1357493297 /nfs/dbraw/zinc/49/32/97/1357493297.db2.gz VDUWTCFRBGJZJS-AWEZNQCLSA-N 1 2 346.475 2.360 10 30 EEEELO C=C(C)CCC(=O)N1C[C@H](NC(=O)CCc2[nH+]ccn2C)C(C)(C)C1 ZINC001678809137 1357570915 /nfs/dbraw/zinc/57/09/15/1357570915.db2.gz DFZRMLFDUVHZCR-HNNXBMFYSA-N 1 2 346.475 2.062 10 30 EEEELO C=CCN(CC(=O)OCC)C(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC001623287618 1352394259 /nfs/dbraw/zinc/39/42/59/1352394259.db2.gz VEGHBWGDPQCKBX-UHFFFAOYSA-N 1 2 341.411 2.052 10 30 EEEELO C=CC1(CC(=O)N(C)C[C@@H](O)C[N@H+](C)Cc2ccon2)CCCCC1 ZINC001649475723 1353526532 /nfs/dbraw/zinc/52/65/32/1353526532.db2.gz VHNHDINCHSYCGL-KRWDZBQOSA-N 1 2 349.475 2.452 10 30 EEEELO C=CC1(CC(=O)N(C)C[C@@H](O)C[N@@H+](C)Cc2ccon2)CCCCC1 ZINC001649475723 1353526535 /nfs/dbraw/zinc/52/65/35/1353526535.db2.gz VHNHDINCHSYCGL-KRWDZBQOSA-N 1 2 349.475 2.452 10 30 EEEELO C=C(C)CCC(=O)N1CCC[C@@H]([N@H+](CCO)Cc2coc(C)n2)C1 ZINC001656775487 1354274658 /nfs/dbraw/zinc/27/46/58/1354274658.db2.gz PJZICDOYTAMOOU-QGZVFWFLSA-N 1 2 335.448 2.125 10 30 EEEELO C=C(C)CCC(=O)N1CCC[C@@H]([N@@H+](CCO)Cc2coc(C)n2)C1 ZINC001656775487 1354274661 /nfs/dbraw/zinc/27/46/61/1354274661.db2.gz PJZICDOYTAMOOU-QGZVFWFLSA-N 1 2 335.448 2.125 10 30 EEEELO C=C(Br)C[N@H+](C)CCCNC(=O)c1cnccc1C ZINC001660090256 1354395141 /nfs/dbraw/zinc/39/51/41/1354395141.db2.gz VWWXEXFAOHUKIG-UHFFFAOYSA-N 1 2 326.238 2.350 10 30 EEEELO C=C(Br)C[N@@H+](C)CCCNC(=O)c1cnccc1C ZINC001660090256 1354395146 /nfs/dbraw/zinc/39/51/46/1354395146.db2.gz VWWXEXFAOHUKIG-UHFFFAOYSA-N 1 2 326.238 2.350 10 30 EEEELO CC#CCCCC(=O)NC[C@H]1CCC[N@@H+]([C@H](C)c2nnc(CC)[nH]2)C1 ZINC001661733154 1354683872 /nfs/dbraw/zinc/68/38/72/1354683872.db2.gz IZXONNAEZKRUMH-HZPDHXFCSA-N 1 2 345.491 2.450 10 30 EEEELO CC#CCCCC(=O)NC[C@H]1CCC[N@H+]([C@H](C)c2nnc(CC)[nH]2)C1 ZINC001661733154 1354683874 /nfs/dbraw/zinc/68/38/74/1354683874.db2.gz IZXONNAEZKRUMH-HZPDHXFCSA-N 1 2 345.491 2.450 10 30 EEEELO O=C(CC#Cc1ccccc1)NC[C@@H]1CCC[N@H+](Cc2ncccn2)C1 ZINC001661753409 1354690801 /nfs/dbraw/zinc/69/08/01/1354690801.db2.gz XGYUKSYYUCNHCL-IBGZPJMESA-N 1 2 348.450 2.247 10 30 EEEELO O=C(CC#Cc1ccccc1)NC[C@@H]1CCC[N@@H+](Cc2ncccn2)C1 ZINC001661753409 1354690805 /nfs/dbraw/zinc/69/08/05/1354690805.db2.gz XGYUKSYYUCNHCL-IBGZPJMESA-N 1 2 348.450 2.247 10 30 EEEELO C=CCC1(C(=O)N[C@H](C)[C@@H]2CCC[N@H+](Cc3ncnn3C)C2)CCC1 ZINC001662010350 1354741506 /nfs/dbraw/zinc/74/15/06/1354741506.db2.gz LHSUOPIONVVHLQ-HZPDHXFCSA-N 1 2 345.491 2.278 10 30 EEEELO C=CCC1(C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](Cc3ncnn3C)C2)CCC1 ZINC001662010350 1354741511 /nfs/dbraw/zinc/74/15/11/1354741511.db2.gz LHSUOPIONVVHLQ-HZPDHXFCSA-N 1 2 345.491 2.278 10 30 EEEELO CCCc1nc(C[N@@H+]2CCC[C@@H]2CCCNC(=O)C#CC2CC2)no1 ZINC001663059832 1354903922 /nfs/dbraw/zinc/90/39/22/1354903922.db2.gz GAWMIKDXPLWCPV-INIZCTEOSA-N 1 2 344.459 2.296 10 30 EEEELO CCCc1nc(C[N@H+]2CCC[C@@H]2CCCNC(=O)C#CC2CC2)no1 ZINC001663059832 1354903923 /nfs/dbraw/zinc/90/39/23/1354903923.db2.gz GAWMIKDXPLWCPV-INIZCTEOSA-N 1 2 344.459 2.296 10 30 EEEELO C[C@H](C(=O)Nc1cccc(Cl)c1)[N@H+](C)CCNC(=O)C#CC1CC1 ZINC001663180982 1354932107 /nfs/dbraw/zinc/93/21/07/1354932107.db2.gz VSIUDHKCYCUZJU-CYBMUJFWSA-N 1 2 347.846 2.128 10 30 EEEELO C[C@H](C(=O)Nc1cccc(Cl)c1)[N@@H+](C)CCNC(=O)C#CC1CC1 ZINC001663180982 1354932111 /nfs/dbraw/zinc/93/21/11/1354932111.db2.gz VSIUDHKCYCUZJU-CYBMUJFWSA-N 1 2 347.846 2.128 10 30 EEEELO C=C1CC(C)(C(=O)NCC[N@@H+](C)CC(=O)N2[C@@H](C)CCC[C@@H]2C)C1 ZINC001663272045 1354942264 /nfs/dbraw/zinc/94/22/64/1354942264.db2.gz PKNLIXIUFBEYNC-HOTGVXAUSA-N 1 2 335.492 2.180 10 30 EEEELO C=C1CC(C)(C(=O)NCC[N@H+](C)CC(=O)N2[C@@H](C)CCC[C@@H]2C)C1 ZINC001663272045 1354942267 /nfs/dbraw/zinc/94/22/67/1354942267.db2.gz PKNLIXIUFBEYNC-HOTGVXAUSA-N 1 2 335.492 2.180 10 30 EEEELO C=CCCC(=O)NCC1C[NH+](CC(=O)N(CC)c2ccccc2)C1 ZINC001665263140 1355285370 /nfs/dbraw/zinc/28/53/70/1355285370.db2.gz LOKUGSZXJUTFIY-UHFFFAOYSA-N 1 2 329.444 2.054 10 30 EEEELO C=C[C@@](C)(O)CC(=O)NCC1C[NH+]([C@@H](C)c2c(F)cccc2F)C1 ZINC001665275661 1355287250 /nfs/dbraw/zinc/28/72/50/1355287250.db2.gz XMAJYXCMUANPCG-KPZWWZAWSA-N 1 2 338.398 2.401 10 30 EEEELO C=C(C)[C@H](CC(=O)NCC1C[NH+](Cc2ccc(F)cn2)C1)OCC ZINC001665293218 1355288753 /nfs/dbraw/zinc/28/87/53/1355288753.db2.gz IHSJSQWGTTYHKD-KRWDZBQOSA-N 1 2 335.423 2.140 10 30 EEEELO C=C(Cl)C[NH+]1CC(CNC(=O)c2ccc(OCCOC)cc2)C1 ZINC001665346814 1355294650 /nfs/dbraw/zinc/29/46/50/1355294650.db2.gz ZDRSLXNCKDKKEA-UHFFFAOYSA-N 1 2 338.835 2.126 10 30 EEEELO CO[C@@H](CC(C)C)C(=O)N[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001665487583 1355317023 /nfs/dbraw/zinc/31/70/23/1355317023.db2.gz OXLNXKDNBSAYMM-OALUTQOASA-N 1 2 346.446 2.429 10 30 EEEELO CO[C@@H](CC(C)C)C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001665487583 1355317029 /nfs/dbraw/zinc/31/70/29/1355317029.db2.gz OXLNXKDNBSAYMM-OALUTQOASA-N 1 2 346.446 2.429 10 30 EEEELO COCC#CC[N@@H+]1CC[C@@H](NC(=O)c2cc3cc(F)ccc3s2)C1 ZINC001665592716 1355328843 /nfs/dbraw/zinc/32/88/43/1355328843.db2.gz MTQNITNSOCKMKH-OAHLLOKOSA-N 1 2 346.427 2.494 10 30 EEEELO COCC#CC[N@H+]1CC[C@@H](NC(=O)c2cc3cc(F)ccc3s2)C1 ZINC001665592716 1355328846 /nfs/dbraw/zinc/32/88/46/1355328846.db2.gz MTQNITNSOCKMKH-OAHLLOKOSA-N 1 2 346.427 2.494 10 30 EEEELO C=CCNC(=O)C[N@H+]1CC[C@H](N(CC)C(=O)c2sccc2CC)C1 ZINC001665741402 1355379961 /nfs/dbraw/zinc/37/99/61/1355379961.db2.gz CIAAFQLBRYXUAH-HNNXBMFYSA-N 1 2 349.500 2.149 10 30 EEEELO C=CCNC(=O)C[N@@H+]1CC[C@H](N(CC)C(=O)c2sccc2CC)C1 ZINC001665741402 1355379966 /nfs/dbraw/zinc/37/99/66/1355379966.db2.gz CIAAFQLBRYXUAH-HNNXBMFYSA-N 1 2 349.500 2.149 10 30 EEEELO C=CC(C)(C)C(=O)NCCC1CC[NH+](Cc2nc(N(C)C)no2)CC1 ZINC001666374477 1355519933 /nfs/dbraw/zinc/51/99/33/1355519933.db2.gz ARRJWVGZQPWFJS-UHFFFAOYSA-N 1 2 349.479 2.066 10 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C=CCCn1cc(C[S@](=O)Cc2cn3c(cccc3C)[nH+]2)nn1 ZINC000593936467 468439061 /nfs/dbraw/zinc/43/90/61/468439061.db2.gz DTGDHKPTESNIOK-HSZRJFAPSA-N 1 2 329.429 2.259 10 30 EEEELO Cc1cn2c([nH+]1)CN([C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N)CC2 ZINC000371703541 465951346 /nfs/dbraw/zinc/95/13/46/465951346.db2.gz MTBHXDUJVSLKSX-LBPRGKRZSA-N 1 2 327.388 2.116 10 30 EEEELO N#Cc1c(F)cc(C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)cc1F ZINC000597210692 468480672 /nfs/dbraw/zinc/48/06/72/468480672.db2.gz UNBDFUXDXMDUDI-CQSZACIVSA-N 1 2 349.381 2.163 10 30 EEEELO COc1nc(C)cc(C)c1C[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000347218971 466485296 /nfs/dbraw/zinc/48/52/96/466485296.db2.gz CAZPLJSAAZYEAF-UHFFFAOYSA-N 1 2 337.427 2.296 10 30 EEEELO C=CCOCCNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000367915522 466554186 /nfs/dbraw/zinc/55/41/86/466554186.db2.gz DPDKUXXXPWPNBA-CVEARBPZSA-N 1 2 339.386 2.212 10 30 EEEELO C=CCOCCNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000367915522 466554191 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C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cccc(-c2noc(C3CC3)n2)c1 ZINC000569728413 468536606 /nfs/dbraw/zinc/53/66/06/468536606.db2.gz ZKLQIRJSIDTQFE-GOSISDBHSA-N 1 2 339.399 2.188 10 30 EEEELO CC1(C)C[NH+](CC(=O)N[C@H](C#N)c2ccccc2Br)C1 ZINC000594296059 468545947 /nfs/dbraw/zinc/54/59/47/468545947.db2.gz GSEUEYHCSKOHDO-CYBMUJFWSA-N 1 2 336.233 2.472 10 30 EEEELO C=CCn1c(CC)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC000558673377 468703386 /nfs/dbraw/zinc/70/33/86/468703386.db2.gz UHDQPISDOUIWPS-UHFFFAOYSA-N 1 2 332.477 2.114 10 30 EEEELO CC(C)[C@H](C#N)N1CC[NH+](Cc2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000593020429 468842216 /nfs/dbraw/zinc/84/22/16/468842216.db2.gz ZOVIZKKFCBHNFH-KRWDZBQOSA-N 1 2 327.388 2.132 10 30 EEEELO COc1ccccc1COC[C@@H](O)C[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000593126073 468879487 /nfs/dbraw/zinc/87/94/87/468879487.db2.gz QYVQWDAOIXLZCG-SFHVURJKSA-N 1 2 338.407 2.460 10 30 EEEELO COc1ccccc1COC[C@@H](O)C[N@H+]1Cc2cccc(C#N)c2C1 ZINC000593126073 468879488 /nfs/dbraw/zinc/87/94/88/468879488.db2.gz QYVQWDAOIXLZCG-SFHVURJKSA-N 1 2 338.407 2.460 10 30 EEEELO C=C(C)C[C@@H](C)C(=O)NCc1ccc(C[NH+]2CCS(=O)CC2)cc1 ZINC000601641998 468947874 /nfs/dbraw/zinc/94/78/74/468947874.db2.gz FSGWRQDNOIDDGW-MRXNPFEDSA-N 1 2 348.512 2.469 10 30 EEEELO C=C(C)C[C@@H]([NH2+]C[C@@H](C)c1ccc(S(C)(=O)=O)cc1)C(=O)OC ZINC000602735328 469040810 /nfs/dbraw/zinc/04/08/10/469040810.db2.gz VERYMZRZFQUGHD-CZUORRHYSA-N 1 2 339.457 2.291 10 30 EEEELO C[C@H]([NH2+]C[C@@H](O)CC1(C#N)CC1)c1noc(Cc2ccccc2)n1 ZINC000599362206 469227150 /nfs/dbraw/zinc/22/71/50/469227150.db2.gz HZQHMAWKYNSJIJ-ZFWWWQNUSA-N 1 2 326.400 2.366 10 30 EEEELO C[C@H](NC(=O)C(=O)Nc1ccc2[nH+]ccn2c1)c1cccc(C#N)c1 ZINC000611361939 469234973 /nfs/dbraw/zinc/23/49/73/469234973.db2.gz WPSGSDUBFVVANA-LBPRGKRZSA-N 1 2 333.351 2.022 10 30 EEEELO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@H](OC(F)F)C1 ZINC000611580670 469286401 /nfs/dbraw/zinc/28/64/01/469286401.db2.gz ZMHITPDBKKDMJK-OLZOCXBDSA-N 1 2 329.391 2.421 10 30 EEEELO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@H](OC(F)F)C1 ZINC000611580670 469286405 /nfs/dbraw/zinc/28/64/05/469286405.db2.gz ZMHITPDBKKDMJK-OLZOCXBDSA-N 1 2 329.391 2.421 10 30 EEEELO C=CCOCCCNC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000618520775 469375961 /nfs/dbraw/zinc/37/59/61/469375961.db2.gz JHDWHAKGOQXVMH-KRWDZBQOSA-N 1 2 334.485 2.485 10 30 EEEELO C=CCC1(C(=O)NCc2nc(C[NH+]3CCCCC3)no2)CCOCC1 ZINC000614468202 469948566 /nfs/dbraw/zinc/94/85/66/469948566.db2.gz NFURDCSPIPTBSX-UHFFFAOYSA-N 1 2 348.447 2.045 10 30 EEEELO C=CCN(Cc1ccc(Cl)s1)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000105283090 526334437 /nfs/dbraw/zinc/33/44/37/526334437.db2.gz OOKHXEMZXBXTJR-LBPRGKRZSA-N 1 2 343.880 2.430 10 30 EEEELO C=CCN(Cc1ccc(Cl)s1)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000105283090 526334442 /nfs/dbraw/zinc/33/44/42/526334442.db2.gz OOKHXEMZXBXTJR-LBPRGKRZSA-N 1 2 343.880 2.430 10 30 EEEELO CC[N@H+](CC(=O)Nc1ccc2c(c1)OCCO2)Cc1ccc(C#N)o1 ZINC000179604810 527925889 /nfs/dbraw/zinc/92/58/89/527925889.db2.gz JJXWEWGHZHPQBY-UHFFFAOYSA-N 1 2 341.367 2.383 10 30 EEEELO CC[N@@H+](CC(=O)Nc1ccc2c(c1)OCCO2)Cc1ccc(C#N)o1 ZINC000179604810 527925896 /nfs/dbraw/zinc/92/58/96/527925896.db2.gz JJXWEWGHZHPQBY-UHFFFAOYSA-N 1 2 341.367 2.383 10 30 EEEELO C#CC[NH+]1CCN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)CC1 ZINC000733160883 577206572 /nfs/dbraw/zinc/20/65/72/577206572.db2.gz DISBXTSDVDLZGZ-UHFFFAOYSA-N 1 2 346.390 2.137 10 30 EEEELO N#Cc1c2c(cn(C[N@H+]3CC[C@H](CC(F)(F)F)C3)c1=O)CCC2 ZINC000766634655 577522618 /nfs/dbraw/zinc/52/26/18/577522618.db2.gz NPTXWPUGIZEOCE-LLVKDONJSA-N 1 2 325.334 2.440 10 30 EEEELO N#Cc1c2c(cn(C[N@@H+]3CC[C@H](CC(F)(F)F)C3)c1=O)CCC2 ZINC000766634655 577522619 /nfs/dbraw/zinc/52/26/19/577522619.db2.gz NPTXWPUGIZEOCE-LLVKDONJSA-N 1 2 325.334 2.440 10 30 EEEELO C=C(C)C[C@H]([NH2+]C1CC(CNC(=O)OC(C)(C)C)C1)C(=O)OC ZINC000895753619 684712013 /nfs/dbraw/zinc/71/20/13/684712013.db2.gz JLRLCZJLRIUUHL-RUXDESIVSA-N 1 2 326.437 2.387 10 30 EEEELO C=CCC(C)(C)C(=O)N[C@@H](C)C1C[NH+](Cc2cncc(OC)n2)C1 ZINC001485523187 1191825231 /nfs/dbraw/zinc/82/52/31/1191825231.db2.gz JWCXTOLDLPKWQN-ZDUSSCGKSA-N 1 2 332.448 2.024 10 30 EEEELO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)OCc3ccccc3)C2)C1 ZINC001485556450 1191834746 /nfs/dbraw/zinc/83/47/46/1191834746.db2.gz MFJPSQWCSDHONN-PXNSSMCTSA-N 1 2 344.455 2.081 10 30 EEEELO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)OCc3ccccc3)C2)C1 ZINC001485556450 1191834748 /nfs/dbraw/zinc/83/47/48/1191834748.db2.gz MFJPSQWCSDHONN-PXNSSMCTSA-N 1 2 344.455 2.081 10 30 EEEELO C#CCCCC(=O)N[C@@H]1C[N@@H+](Cc2csnc2OC)CC1(C)C ZINC001485568178 1191837916 /nfs/dbraw/zinc/83/79/16/1191837916.db2.gz UUSYQYCGJAOGRB-CQSZACIVSA-N 1 2 335.473 2.282 10 30 EEEELO C#CCCCC(=O)N[C@@H]1C[N@H+](Cc2csnc2OC)CC1(C)C ZINC001485568178 1191837918 /nfs/dbraw/zinc/83/79/18/1191837918.db2.gz UUSYQYCGJAOGRB-CQSZACIVSA-N 1 2 335.473 2.282 10 30 EEEELO C=C(C)C(C)(C)C(=O)NCC[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1C ZINC001266306472 1176204042 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C[C@@H]1COCC[C@H]1N1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000277587515 463921985 /nfs/dbraw/zinc/92/19/85/463921985.db2.gz YWAHKCHBDQCIKS-CHWSQXEVSA-N 1 2 340.427 2.071 10 30 EEEELO N#CCCOCC[NH+]1CCN(C(=O)c2ccc(F)cc2Cl)CC1 ZINC000292964426 464379987 /nfs/dbraw/zinc/37/99/87/464379987.db2.gz CYDBLUSGHLXGJL-UHFFFAOYSA-N 1 2 339.798 2.167 10 30 EEEELO CN(C)S(=O)(=O)[C@H]1CCC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000285644096 464641332 /nfs/dbraw/zinc/64/13/32/464641332.db2.gz ONZPZPZPVHBPSF-INIZCTEOSA-N 1 2 340.876 2.047 10 30 EEEELO CN(C)S(=O)(=O)[C@H]1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000285644096 464641337 /nfs/dbraw/zinc/64/13/37/464641337.db2.gz ONZPZPZPVHBPSF-INIZCTEOSA-N 1 2 340.876 2.047 10 30 EEEELO C[C@@H]1C[N@@H+]([C@@H](CNC(=O)C2(C#N)CCC2)c2cccs2)CCO1 ZINC000267109102 464917140 /nfs/dbraw/zinc/91/71/40/464917140.db2.gz MUMQKGQPKAYICN-KGLIPLIRSA-N 1 2 333.457 2.320 10 30 EEEELO C[C@@H]1C[N@H+]([C@@H](CNC(=O)C2(C#N)CCC2)c2cccs2)CCO1 ZINC000267109102 464917148 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329.379 2.143 10 30 EEEELO C#CCC1(NC(=O)C[N@@H+]2CCc3cc(OC)c(OC)cc3C2)CCC1 ZINC000886793073 1296735317 /nfs/dbraw/zinc/73/53/17/1296735317.db2.gz YFJIZWLWNURVLV-UHFFFAOYSA-N 1 2 342.439 2.124 10 30 EEEELO C#CCC1(NC(=O)C[N@H+]2CCc3cc(OC)c(OC)cc3C2)CCC1 ZINC000886793073 1296735328 /nfs/dbraw/zinc/73/53/28/1296735328.db2.gz YFJIZWLWNURVLV-UHFFFAOYSA-N 1 2 342.439 2.124 10 30 EEEELO C=C[C@@](C)(O)CC(=O)NC[C@@H]1CC[N@H+]1Cc1cccc(C(C)C)n1 ZINC001276832913 1299791037 /nfs/dbraw/zinc/79/10/37/1299791037.db2.gz ADYMGYAXWXQQQQ-QFBILLFUSA-N 1 2 331.460 2.223 10 30 EEEELO C=C[C@@](C)(O)CC(=O)NC[C@@H]1CC[N@@H+]1Cc1cccc(C(C)C)n1 ZINC001276832913 1299791048 /nfs/dbraw/zinc/79/10/48/1299791048.db2.gz ADYMGYAXWXQQQQ-QFBILLFUSA-N 1 2 331.460 2.223 10 30 EEEELO C=C[C@@](C)(O)CC(=O)NCC1([NH2+]Cc2cc(C(C)(C)C)on2)CC1 ZINC001277047800 1301017040 /nfs/dbraw/zinc/01/70/40/1301017040.db2.gz FCNZXGGBGOPTPC-QGZVFWFLSA-N 1 2 335.448 2.038 10 30 EEEELO C=CCOCC[NH+]1CC(N(C)C(=O)[C@@H]2CCc3ccc(OC)cc32)C1 ZINC001277609523 1303995642 /nfs/dbraw/zinc/99/56/42/1303995642.db2.gz DATKGFIYRRSIMS-GOSISDBHSA-N 1 2 344.455 2.070 10 30 EEEELO CC(C)(C)C#CC(=O)N1CCC[C@@H]1C[NH2+]Cc1nc(CC2CC2)no1 ZINC001277852314 1304905469 /nfs/dbraw/zinc/90/54/69/1304905469.db2.gz WVLQUDBWBZFJGC-OAHLLOKOSA-N 1 2 344.459 2.152 10 30 EEEELO Cc1nnc([C@H](C)[NH+]2CCC(C)(NC(=O)C#CC3CC3)CC2)s1 ZINC001278052518 1305792734 /nfs/dbraw/zinc/79/27/34/1305792734.db2.gz XGHVGRVGPYWWCF-LBPRGKRZSA-N 1 2 332.473 2.292 10 30 EEEELO C#C[C@@H]([NH2+]C[C@@H](O)CC1(O)CCOCC1)c1ccc(Cl)cc1F ZINC001120513494 1309587390 /nfs/dbraw/zinc/58/73/90/1309587390.db2.gz LUKBUQYVEZLJSK-XJKSGUPXSA-N 1 2 341.810 2.036 10 30 EEEELO C#CCCCCC(=O)N[C@]1(C)CC[N@@H+]([C@@H](C)c2nc(CC)no2)C1 ZINC001278380911 1309936803 /nfs/dbraw/zinc/93/68/03/1309936803.db2.gz DUWBIYCRFGJNJQ-KBXCAEBGSA-N 1 2 332.448 2.467 10 30 EEEELO C#CCCCCC(=O)N[C@]1(C)CC[N@H+]([C@@H](C)c2nc(CC)no2)C1 ZINC001278380911 1309936811 /nfs/dbraw/zinc/93/68/11/1309936811.db2.gz 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C=C1CCC(C(=O)NCC[C@@H](NC(=O)Cn2cc[nH+]c2)C(C)C)CC1 ZINC001280933208 1324651431 /nfs/dbraw/zinc/65/14/31/1324651431.db2.gz LLWAMEYVJDKLBV-QGZVFWFLSA-N 1 2 346.475 2.277 10 30 EEEELO C=CCC1(C(=O)N[C@H]2COC3(C[NH+](CC=C(C)C)C3)C2)CCOCC1 ZINC001280961326 1324676106 /nfs/dbraw/zinc/67/61/06/1324676106.db2.gz DQRSCNHKYDTCKJ-QGZVFWFLSA-N 1 2 348.487 2.285 10 30 EEEELO C=CCCCC(=O)N(C)C[C@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001281044404 1324740557 /nfs/dbraw/zinc/74/05/57/1324740557.db2.gz INKZKFVEHMZMOK-AWEZNQCLSA-N 1 2 328.416 2.267 10 30 EEEELO C=C1CCC(C(=O)N(C)C[C@H](C)NC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001281048494 1324742856 /nfs/dbraw/zinc/74/28/56/1324742856.db2.gz WUVKPKFLVRZEMX-AWEZNQCLSA-N 1 2 332.448 2.052 10 30 EEEELO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H](C)c1cccnc1 ZINC001281070531 1324751708 /nfs/dbraw/zinc/75/17/08/1324751708.db2.gz GQDDBQPECIJPMC-OXJNMPFZSA-N 1 2 333.435 2.361 10 30 EEEELO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H](C)c1cccnc1 ZINC001281070531 1324751714 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EEEELO C=CCOCC[NH+]1CC(N(C)C(=O)c2oc(C(F)F)cc2C)C1 ZINC001323947251 1333577771 /nfs/dbraw/zinc/57/77/71/1333577771.db2.gz YYNVWTCKLRDJQF-UHFFFAOYSA-N 1 2 328.359 2.484 10 30 EEEELO CCC/C=C\CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC001326627332 1334128034 /nfs/dbraw/zinc/12/80/34/1334128034.db2.gz MXDJHNYFDYARIT-AWFCHZOYSA-N 1 2 330.432 2.063 10 30 EEEELO CCC/C=C\CC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC001326627332 1334128037 /nfs/dbraw/zinc/12/80/37/1334128037.db2.gz MXDJHNYFDYARIT-AWFCHZOYSA-N 1 2 330.432 2.063 10 30 EEEELO C=CC1(CC(=O)NC[C@@H]2COCC[N@H+]2C[C@@H](C)OC)CCCCC1 ZINC001326658652 1334135525 /nfs/dbraw/zinc/13/55/25/1334135525.db2.gz NYAKQKKKQKRVGP-IAGOWNOFSA-N 1 2 338.492 2.365 10 30 EEEELO C=CC1(CC(=O)NC[C@@H]2COCC[N@@H+]2C[C@@H](C)OC)CCCCC1 ZINC001326658652 1334135529 /nfs/dbraw/zinc/13/55/29/1334135529.db2.gz NYAKQKKKQKRVGP-IAGOWNOFSA-N 1 2 338.492 2.365 10 30 EEEELO C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H](CC)CCCC)C2)CC1 ZINC001327082105 1334217373 /nfs/dbraw/zinc/21/73/73/1334217373.db2.gz KLHCGASEPFOYRN-RBUKOAKNSA-N 1 2 333.520 2.445 10 30 EEEELO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)CCOc1ccccc1F)O2 ZINC001327366318 1334278390 /nfs/dbraw/zinc/27/83/90/1334278390.db2.gz ZTXIZQMYZPIAOC-HNNXBMFYSA-N 1 2 348.418 2.130 10 30 EEEELO C=CCCOCC(=O)N[C@H]1COC2(C[NH+]([C@H](C)c3ccccc3)C2)C1 ZINC001327426988 1334290937 /nfs/dbraw/zinc/29/09/37/1334290937.db2.gz NAXCUMGLTQUDLL-SJLPKXTDSA-N 1 2 344.455 2.300 10 30 EEEELO C[C@@H]1C[C@@H](NC(=O)CSCC#N)CC[N@@H+]1Cc1coc(C2CC2)n1 ZINC001328221901 1334417979 /nfs/dbraw/zinc/41/79/79/1334417979.db2.gz GWMXDLRLENAGGA-OCCSQVGLSA-N 1 2 348.472 2.278 10 30 EEEELO C[C@@H]1C[C@@H](NC(=O)CSCC#N)CC[N@H+]1Cc1coc(C2CC2)n1 ZINC001328221901 1334417982 /nfs/dbraw/zinc/41/79/82/1334417982.db2.gz GWMXDLRLENAGGA-OCCSQVGLSA-N 1 2 348.472 2.278 10 30 EEEELO C#Cc1ccc(C(=O)NC2CC(C[NH2+]CC(F)(F)C(F)F)C2)cn1 ZINC001328940339 1334552626 /nfs/dbraw/zinc/55/26/26/1334552626.db2.gz GFALCQPRXCFXAL-UHFFFAOYSA-N 1 2 343.324 2.061 10 30 EEEELO C#Cc1cccc(NC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H](C)C2CC2)c1 ZINC001329408211 1334643068 /nfs/dbraw/zinc/64/30/68/1334643068.db2.gz HQRRGUZVYSXKQL-GJZGRUSLSA-N 1 2 341.455 2.089 10 30 EEEELO C#Cc1cccc(NC(=O)C[N@H+](C)[C@@H](C)CNC(=O)[C@@H](C)C2CC2)c1 ZINC001329408211 1334643069 /nfs/dbraw/zinc/64/30/69/1334643069.db2.gz HQRRGUZVYSXKQL-GJZGRUSLSA-N 1 2 341.455 2.089 10 30 EEEELO C=CC[C@H]1CCN(C(=O)C(=O)N(C)CCCc2[nH+]ccn2CCC)C1 ZINC001329874382 1334731100 /nfs/dbraw/zinc/73/11/00/1334731100.db2.gz UTVRDUHMONHAIT-INIZCTEOSA-N 1 2 346.475 2.109 10 30 EEEELO C=CCCOCC(=O)N[C@@H](C)C1C[NH+](Cc2cccc(Cl)n2)C1 ZINC001330086965 1334777010 /nfs/dbraw/zinc/77/70/10/1334777010.db2.gz VWDOYKNJNQZMJQ-ZDUSSCGKSA-N 1 2 337.851 2.264 10 30 EEEELO CC#CCCCC(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3nc(CCC)no3)C[C@H]21 ZINC001330326844 1334823923 /nfs/dbraw/zinc/82/39/23/1334823923.db2.gz IDPKAUGIFJAPFU-PHZGNYQRSA-N 1 2 344.459 2.010 10 30 EEEELO CC#CCCCC(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3nc(CCC)no3)C[C@H]21 ZINC001330326844 1334823924 /nfs/dbraw/zinc/82/39/24/1334823924.db2.gz IDPKAUGIFJAPFU-PHZGNYQRSA-N 1 2 344.459 2.010 10 30 EEEELO CC(C)C#CC(=O)N(C)[C@@H](C[NH2+]Cc1nnsc1Cl)C1CC1 ZINC001331280045 1334989555 /nfs/dbraw/zinc/98/95/55/1334989555.db2.gz FTYOFLXZKYTGLT-ZDUSSCGKSA-N 1 2 340.880 2.178 10 30 EEEELO C=C[C@H](CC)CC(=O)N1CCC[C@H]1CN(C)C(=O)CCc1[nH]cc[nH+]1 ZINC001333592899 1336081648 /nfs/dbraw/zinc/08/16/48/1336081648.db2.gz NXZFOYCESIGINO-CVEARBPZSA-N 1 2 346.475 2.394 10 30 EEEELO C=C[C@](C)(CC)C(=O)N1CCC[C@@H]1CN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001333609499 1336086910 /nfs/dbraw/zinc/08/69/10/1336086910.db2.gz YHBJWUDORGBKTF-VQIMIIECSA-N 1 2 346.475 2.394 10 30 EEEELO C=C[C@](C)(CC)C(=O)N1CCC[C@@H]1CN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001333609499 1336086915 /nfs/dbraw/zinc/08/69/15/1336086915.db2.gz YHBJWUDORGBKTF-VQIMIIECSA-N 1 2 346.475 2.394 10 30 EEEELO C=CCCCC(=O)NCC1(NC(=O)Cc2[nH]cc[nH+]2)CCCCC1 ZINC001334784594 1336296753 /nfs/dbraw/zinc/29/67/53/1336296753.db2.gz PBZIZFIYCFPHQG-UHFFFAOYSA-N 1 2 332.448 2.244 10 30 EEEELO C=C(C)CCC(=O)N[C@H](C)CCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001336112876 1336482261 /nfs/dbraw/zinc/48/22/61/1336482261.db2.gz GQFMAVVXWNDCBX-HZPDHXFCSA-N 1 2 346.475 2.203 10 30 EEEELO C=C(C)c1cccc(NC(=O)C(=O)NCCCCn2cc[nH+]c2)c1 ZINC001336490758 1336552629 /nfs/dbraw/zinc/55/26/29/1336552629.db2.gz RSNBFDHZZKNGGT-UHFFFAOYSA-N 1 2 326.400 2.451 10 30 EEEELO C#CCCCCC(=O)N1CCC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)[C@H]1C ZINC001338284321 1336832386 /nfs/dbraw/zinc/83/23/86/1336832386.db2.gz UKPFTLYDJXYEAR-NVXWUHKLSA-N 1 2 344.459 2.032 10 30 EEEELO C#CCCCCC(=O)N1CCC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)[C@H]1C ZINC001338284321 1336832387 /nfs/dbraw/zinc/83/23/87/1336832387.db2.gz UKPFTLYDJXYEAR-NVXWUHKLSA-N 1 2 344.459 2.032 10 30 EEEELO CN1c2ccccc2C(C)(C)/C1=C/C(=O)C[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC001338421662 1336859046 /nfs/dbraw/zinc/85/90/46/1336859046.db2.gz ISJBLAVAPJSQJZ-DAIOKFOQSA-N 1 2 326.440 2.324 10 30 EEEELO CN1c2ccccc2C(C)(C)/C1=C/C(=O)C[N@H+]1C[C@@H](O)C2(CC2)C1 ZINC001338421662 1336859050 /nfs/dbraw/zinc/85/90/50/1336859050.db2.gz ISJBLAVAPJSQJZ-DAIOKFOQSA-N 1 2 326.440 2.324 10 30 EEEELO CC#CCCCC(=O)N[C@@H](CNC(=O)CCn1cc[nH+]c1)C(C)(C)C ZINC001338909915 1336930255 /nfs/dbraw/zinc/93/02/55/1336930255.db2.gz CIBYHDGYRBTJFD-INIZCTEOSA-N 1 2 346.475 2.114 10 30 EEEELO C=C(C)CCC(=O)N1CC[C@@H](C)[C@H](CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001339740734 1337064979 /nfs/dbraw/zinc/06/49/79/1337064979.db2.gz BVEJINDGEGEQSE-HZPDHXFCSA-N 1 2 346.475 2.299 10 30 EEEELO C=CCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)[C@@H](C)C1 ZINC001340859859 1337258370 /nfs/dbraw/zinc/25/83/70/1337258370.db2.gz NWUBGNWREDINEE-GJZGRUSLSA-N 1 2 346.475 2.155 10 30 EEEELO C#C[C@@H]1CCCCN1c1nnc([C@@H]2CCC[N@H+]2C)n1C[C@@H]1CCCO1 ZINC001343153860 1337329400 /nfs/dbraw/zinc/32/94/00/1337329400.db2.gz IWBNBAFWMNXMJL-IKGGRYGDSA-N 1 2 343.475 2.216 10 30 EEEELO C#C[C@@H]1CCCCN1c1nnc([C@@H]2CCC[N@@H+]2C)n1C[C@@H]1CCCO1 ZINC001343153860 1337329403 /nfs/dbraw/zinc/32/94/03/1337329403.db2.gz IWBNBAFWMNXMJL-IKGGRYGDSA-N 1 2 343.475 2.216 10 30 EEEELO C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N1CCO[C@H](CCF)C1 ZINC001343456845 1337334402 /nfs/dbraw/zinc/33/44/02/1337334402.db2.gz JJBMOGIZEBAXEG-HUUCEWRRSA-N 1 2 337.443 2.186 10 30 EEEELO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N1CCO[C@H](CCF)C1 ZINC001343456845 1337334405 /nfs/dbraw/zinc/33/44/05/1337334405.db2.gz JJBMOGIZEBAXEG-HUUCEWRRSA-N 1 2 337.443 2.186 10 30 EEEELO C=C1CCN(c2nnc(C[NH+]3CCCC3)n2C[C@@H]2CCOC2)CC1 ZINC001345670118 1337456665 /nfs/dbraw/zinc/45/66/65/1337456665.db2.gz VZJCSVSORIGQDH-INIZCTEOSA-N 1 2 331.464 2.067 10 30 EEEELO C=CCn1c(N(C)c2ccccc2)nnc1[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001352062627 1337885886 /nfs/dbraw/zinc/88/58/86/1337885886.db2.gz JJRVKPSDXWSDDI-QAPCUYQASA-N 1 2 327.432 2.144 10 30 EEEELO C=CCn1c(N(C)c2ccccc2)nnc1[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC001352062627 1337885890 /nfs/dbraw/zinc/88/58/90/1337885890.db2.gz JJRVKPSDXWSDDI-QAPCUYQASA-N 1 2 327.432 2.144 10 30 EEEELO C=CCCCN(CC)C(=O)C(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC001353119447 1338182538 /nfs/dbraw/zinc/18/25/38/1338182538.db2.gz PCQPLVFLLRTERX-UHFFFAOYSA-N 1 2 347.459 2.480 10 30 EEEELO C#CC[NH+]1CCN(c2nnc(CC3CC3)n2CC2CC(F)(F)C2)CC1 ZINC001300705893 1338597784 /nfs/dbraw/zinc/59/77/84/1338597784.db2.gz DQXUTZRKEIROBJ-UHFFFAOYSA-N 1 2 349.429 2.031 10 30 EEEELO C=C(C)Cn1c(N(CCC)CC2CC2)nnc1[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001355957126 1338774227 /nfs/dbraw/zinc/77/42/27/1338774227.db2.gz CQPONOOWIJHZTN-APWZRJJASA-N 1 2 347.507 2.392 10 30 EEEELO C=C(C)Cn1c(N(CCC)CC2CC2)nnc1[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC001355957126 1338774228 /nfs/dbraw/zinc/77/42/28/1338774228.db2.gz CQPONOOWIJHZTN-APWZRJJASA-N 1 2 347.507 2.392 10 30 EEEELO C=C(C)C[C@H](C)C(=O)N[C@H](C)C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001356651385 1338844405 /nfs/dbraw/zinc/84/44/05/1338844405.db2.gz WCSVBBASXMOQNQ-JKSUJKDBSA-N 1 2 346.475 2.229 10 30 EEEELO C=C1CCC(C(=O)NCCCN(C(=O)Cc2[nH]cc[nH+]2)C(C)C)CC1 ZINC001356677007 1338853204 /nfs/dbraw/zinc/85/32/04/1338853204.db2.gz HKOJXGHEJCPJSH-UHFFFAOYSA-N 1 2 346.475 2.442 10 30 EEEELO C=C1CC(C)(C(=O)NC/C=C\CNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001357930672 1339022970 /nfs/dbraw/zinc/02/29/70/1339022970.db2.gz AYFSQYDCZUAOHP-SREVYHEPSA-N 1 2 344.459 2.072 10 30 EEEELO C=C(Br)C[NH+]1CCC(CO)(NC(=O)CCCCC)CC1 ZINC001674298783 1356814323 /nfs/dbraw/zinc/81/43/23/1356814323.db2.gz IRCMTRGKEJTVNA-UHFFFAOYSA-N 1 2 347.297 2.418 10 30 EEEELO C=CC(C)(C)C(=O)N(C)C[C@@H]1CC[N@H+]1CC(=O)N(CC(C)C)C1CC1 ZINC001565823294 1342563577 /nfs/dbraw/zinc/56/35/77/1342563577.db2.gz VPUWVSTZQMXCBZ-KRWDZBQOSA-N 1 2 349.519 2.378 10 30 EEEELO C=CC(C)(C)C(=O)N(C)C[C@@H]1CC[N@@H+]1CC(=O)N(CC(C)C)C1CC1 ZINC001565823294 1342563580 /nfs/dbraw/zinc/56/35/80/1342563580.db2.gz VPUWVSTZQMXCBZ-KRWDZBQOSA-N 1 2 349.519 2.378 10 30 EEEELO C=CCCO[C@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ncoc2C(C)C)C1 ZINC001566657046 1342593579 /nfs/dbraw/zinc/59/35/79/1342593579.db2.gz GCHOLTQZUDHTDD-HUUCEWRRSA-N 1 2 335.448 2.470 10 30 EEEELO C=CCCO[C@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ncoc2C(C)C)C1 ZINC001566657046 1342593582 /nfs/dbraw/zinc/59/35/82/1342593582.db2.gz GCHOLTQZUDHTDD-HUUCEWRRSA-N 1 2 335.448 2.470 10 30 EEEELO C=CCC1(C(=O)NCC[N@@H+](C)Cc2cc(=O)c(OC)co2)CCCC1 ZINC001567323127 1342740524 /nfs/dbraw/zinc/74/05/24/1342740524.db2.gz OYHLRZZGDJEHCR-UHFFFAOYSA-N 1 2 348.443 2.333 10 30 EEEELO C=CCC1(C(=O)NCC[N@H+](C)Cc2cc(=O)c(OC)co2)CCCC1 ZINC001567323127 1342740527 /nfs/dbraw/zinc/74/05/27/1342740527.db2.gz OYHLRZZGDJEHCR-UHFFFAOYSA-N 1 2 348.443 2.333 10 30 EEEELO C#CCCCC(=O)N1CC[C@@H](C[N@@H+](C)Cc2nn(C)cc2Cl)C1 ZINC001567727678 1342825366 /nfs/dbraw/zinc/82/53/66/1342825366.db2.gz NEHZHKWITNJATO-AWEZNQCLSA-N 1 2 336.867 2.157 10 30 EEEELO C#CCCCC(=O)N1CC[C@@H](C[N@H+](C)Cc2nn(C)cc2Cl)C1 ZINC001567727678 1342825373 /nfs/dbraw/zinc/82/53/73/1342825373.db2.gz NEHZHKWITNJATO-AWEZNQCLSA-N 1 2 336.867 2.157 10 30 EEEELO C#CCN(C(=O)[C@@H]1CC=CCC1)C1CC[NH+](Cc2ccn(C)n2)CC1 ZINC001569581873 1342901445 /nfs/dbraw/zinc/90/14/45/1342901445.db2.gz OFRBEDKODSQNKK-QGZVFWFLSA-N 1 2 340.471 2.203 10 30 EEEELO CCc1nnc([C@H](C)[N@@H+]2CCC[C@](C)(CNC(=O)C#CC(C)C)C2)[nH]1 ZINC001569713136 1342929677 /nfs/dbraw/zinc/92/96/77/1342929677.db2.gz JVRWQZOTVUKHHJ-HNAYVOBHSA-N 1 2 345.491 2.306 10 30 EEEELO CCc1nnc([C@H](C)[N@H+]2CCC[C@](C)(CNC(=O)C#CC(C)C)C2)[nH]1 ZINC001569713136 1342929680 /nfs/dbraw/zinc/92/96/80/1342929680.db2.gz JVRWQZOTVUKHHJ-HNAYVOBHSA-N 1 2 345.491 2.306 10 30 EEEELO C=C(C)C[NH+]1CC(O)(CNC(=O)C[C@H]2CCCc3ccccc32)C1 ZINC001569788511 1342944766 /nfs/dbraw/zinc/94/47/66/1342944766.db2.gz FPFVERFUIAAQRN-QGZVFWFLSA-N 1 2 328.456 2.236 10 30 EEEELO C=CCCC(=O)N1CCC[C@H]2C[N@@H+]([C@H](C)c3nc(COC)no3)C[C@H]21 ZINC001569918860 1342977229 /nfs/dbraw/zinc/97/72/29/1342977229.db2.gz XDONTTSVTUWITJ-QLFBSQMISA-N 1 2 348.447 2.166 10 30 EEEELO C=CCCC(=O)N1CCC[C@H]2C[N@H+]([C@H](C)c3nc(COC)no3)C[C@H]21 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EEEELO C[C@@H](C#N)C(=O)NCCC[N@@H+](Cc1ncc(Cl)s1)C1CC1 ZINC001490367125 1291246781 /nfs/dbraw/zinc/24/67/81/1291246781.db2.gz MOQWNHMTIHESCF-JTQLQIEISA-N 1 2 326.853 2.427 10 30 EEEELO C#CCN(CC(=O)OC(C)(C)C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000855495684 1293234431 /nfs/dbraw/zinc/23/44/31/1293234431.db2.gz HGMUCSPDNXWTBY-UHFFFAOYSA-N 1 2 327.384 2.060 10 30 EEEELO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCc2ccccc2-n2ccnc21 ZINC000856495010 1293546849 /nfs/dbraw/zinc/54/68/49/1293546849.db2.gz NIVPGQJCZBKTKW-WMZOPIPTSA-N 1 2 334.423 2.073 10 30 EEEELO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCc2ccccc2-n2ccnc21 ZINC000856495010 1293546856 /nfs/dbraw/zinc/54/68/56/1293546856.db2.gz NIVPGQJCZBKTKW-WMZOPIPTSA-N 1 2 334.423 2.073 10 30 EEEELO C[C@@H](C[NH+]1CCOCC1)NC(=O)C1(c2ccc(C#N)cc2)CCCC1 ZINC000858500677 1294135517 /nfs/dbraw/zinc/13/55/17/1294135517.db2.gz MVWDFWMBPGZEIN-INIZCTEOSA-N 1 2 341.455 2.207 10 30 EEEELO C=CCCCC(=O)NC[C@@H]1CC[N@@H+]1Cc1cc(=O)[nH]c(C2CC2)n1 ZINC001276916856 1300250271 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EEEELO C#CCN(C(=O)c1cn[nH]c1)C1CC[NH+]([C@H](C)c2ncc(C)o2)CC1 ZINC001278121956 1306006298 /nfs/dbraw/zinc/00/62/98/1306006298.db2.gz RVGVZQIMDFZRHV-CQSZACIVSA-N 1 2 341.415 2.007 10 30 EEEELO C#CCN(C(=O)c1cc[nH]c1)C1CC[NH+]([C@H](C)c2ncccn2)CC1 ZINC001278157696 1306134844 /nfs/dbraw/zinc/13/48/44/1306134844.db2.gz SXHQRYMURBLNDF-OAHLLOKOSA-N 1 2 337.427 2.106 10 30 EEEELO C#CC[C@H]1NC(=O)N([C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)C1=O ZINC000842239002 1315678202 /nfs/dbraw/zinc/67/82/02/1315678202.db2.gz AQCUZBLMCUEINC-SJORKVTESA-N 1 2 336.395 2.185 10 30 EEEELO Cc1nnc([C@H](C)[N@@H+]2CCC[C@@](C)(CNC(=O)C#CC(C)(C)C)C2)[nH]1 ZINC001278659731 1317584546 /nfs/dbraw/zinc/58/45/46/1317584546.db2.gz XMXYSHPRWLXXEE-LIRRHRJNSA-N 1 2 345.491 2.442 10 30 EEEELO Cc1nnc([C@H](C)[N@H+]2CCC[C@@](C)(CNC(=O)C#CC(C)(C)C)C2)[nH]1 ZINC001278659731 1317584556 /nfs/dbraw/zinc/58/45/56/1317584556.db2.gz XMXYSHPRWLXXEE-LIRRHRJNSA-N 1 2 345.491 2.442 10 30 EEEELO C=C(C)C(C)(C)C(=O)NC[C@@]1(C)CCC[N@@H+](Cc2ncnn2C)C1 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1322525609 /nfs/dbraw/zinc/52/56/09/1322525609.db2.gz BNCKANSIXJVIFJ-KRWDZBQOSA-N 1 2 343.471 2.060 10 30 EEEELO C=CCNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)c1c(C)cc(C)cc1C ZINC001263818618 1322525612 /nfs/dbraw/zinc/52/56/12/1322525612.db2.gz BNCKANSIXJVIFJ-KRWDZBQOSA-N 1 2 343.471 2.060 10 30 EEEELO C=C[C@H](CC)CC(=O)N[C@H]1CC[N@H+](Cc2cn(CC)nn2)[C@@H]1CC ZINC001264060681 1322602098 /nfs/dbraw/zinc/60/20/98/1322602098.db2.gz JYTBLJHIAHFZHV-HYVNUMGLSA-N 1 2 333.480 2.369 10 30 EEEELO C=C[C@H](CC)CC(=O)N[C@H]1CC[N@@H+](Cc2cn(CC)nn2)[C@@H]1CC ZINC001264060681 1322602102 /nfs/dbraw/zinc/60/21/02/1322602102.db2.gz JYTBLJHIAHFZHV-HYVNUMGLSA-N 1 2 333.480 2.369 10 30 EEEELO C=CC(C)(C)C(=O)N1CCC[C@H]([N@@H+](CCO)Cc2nc(C)c(C)o2)C1 ZINC001264632272 1322758080 /nfs/dbraw/zinc/75/80/80/1322758080.db2.gz KEWVTBGYOUFEKT-INIZCTEOSA-N 1 2 349.475 2.289 10 30 EEEELO C=CC(C)(C)C(=O)N1CCC[C@H]([N@H+](CCO)Cc2nc(C)c(C)o2)C1 ZINC001264632272 1322758084 /nfs/dbraw/zinc/75/80/84/1322758084.db2.gz KEWVTBGYOUFEKT-INIZCTEOSA-N 1 2 349.475 2.289 10 30 EEEELO C=C[C@@H](C(=O)NCCC[N@@H+](C)Cc1nnc(C)[nH]1)c1ccccc1 ZINC001265071815 1322906788 /nfs/dbraw/zinc/90/67/88/1322906788.db2.gz WWQYNTAZKLESPJ-MRXNPFEDSA-N 1 2 327.432 2.021 10 30 EEEELO C=C[C@@H](C(=O)NCCC[N@H+](C)Cc1nnc(C)[nH]1)c1ccccc1 ZINC001265071815 1322906790 /nfs/dbraw/zinc/90/67/90/1322906790.db2.gz WWQYNTAZKLESPJ-MRXNPFEDSA-N 1 2 327.432 2.021 10 30 EEEELO C=CCOCCCC(=O)N(C)C1CC[NH+]([C@@H](C)c2ncccn2)CC1 ZINC001265190352 1322977200 /nfs/dbraw/zinc/97/72/00/1322977200.db2.gz NKEGSSIQNCSJEP-INIZCTEOSA-N 1 2 346.475 2.443 10 30 EEEELO C=CCCC(=O)N[C@H]1CCC[N@@H+](CC(=O)NC2CCC(C)CC2)C1 ZINC001265205228 1322983560 /nfs/dbraw/zinc/98/35/60/1322983560.db2.gz FFQOOFSPNOSMOP-JCYILVPMSA-N 1 2 335.492 2.228 10 30 EEEELO C=CCCC(=O)N[C@H]1CCC[N@H+](CC(=O)NC2CCC(C)CC2)C1 ZINC001265205228 1322983563 /nfs/dbraw/zinc/98/35/63/1322983563.db2.gz FFQOOFSPNOSMOP-JCYILVPMSA-N 1 2 335.492 2.228 10 30 EEEELO CCO[C@@H](C(=O)N[C@@H]1CCC[N@H+](CC#Cc2ccccc2)C1)C1CC1 ZINC001265214207 1322988126 /nfs/dbraw/zinc/98/81/26/1322988126.db2.gz HEWMYRBYFYSEGE-WOJBJXKFSA-N 1 2 340.467 2.434 10 30 EEEELO CCO[C@@H](C(=O)N[C@@H]1CCC[N@@H+](CC#Cc2ccccc2)C1)C1CC1 ZINC001265214207 1322988130 /nfs/dbraw/zinc/98/81/30/1322988130.db2.gz HEWMYRBYFYSEGE-WOJBJXKFSA-N 1 2 340.467 2.434 10 30 EEEELO C=CCCOCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccnc(Cl)c2)C1 ZINC001265235804 1323002247 /nfs/dbraw/zinc/00/22/47/1323002247.db2.gz WPAJZAMICNLXMO-OAHLLOKOSA-N 1 2 337.851 2.408 10 30 EEEELO C=CCCOCC(=O)N[C@@H]1CCC[N@H+](Cc2ccnc(Cl)c2)C1 ZINC001265235804 1323002257 /nfs/dbraw/zinc/00/22/57/1323002257.db2.gz WPAJZAMICNLXMO-OAHLLOKOSA-N 1 2 337.851 2.408 10 30 EEEELO C=CCC1(C(=O)N[C@H]2CC[N@@H+](Cc3cncc(OC)n3)C2)CCCC1 ZINC001265322184 1323070474 /nfs/dbraw/zinc/07/04/74/1323070474.db2.gz ZIMBJRSTPYKRGC-HNNXBMFYSA-N 1 2 344.459 2.312 10 30 EEEELO C=CCC1(C(=O)N[C@H]2CC[N@H+](Cc3cncc(OC)n3)C2)CCCC1 ZINC001265322184 1323070478 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DPTZJRYEGKZRPL-HZPDHXFCSA-N 1 2 335.492 2.180 10 30 EEEELO C#CCCCC(=O)N1C[C@@H]2C[N@@H+](Cc3nnc(C4CC4)o3)CC[C@@H]2C1 ZINC001656806654 1354280488 /nfs/dbraw/zinc/28/04/88/1354280488.db2.gz FBIHWEBFTAQAAW-CVEARBPZSA-N 1 2 342.443 2.031 10 30 EEEELO C#CCCCC(=O)N1C[C@@H]2C[N@H+](Cc3nnc(C4CC4)o3)CC[C@@H]2C1 ZINC001656806654 1354280491 /nfs/dbraw/zinc/28/04/91/1354280491.db2.gz FBIHWEBFTAQAAW-CVEARBPZSA-N 1 2 342.443 2.031 10 30 EEEELO CCCn1ncnc1C[N@H+](CCCNC(=O)C#CC(C)(C)C)C1CC1 ZINC001660680934 1354516475 /nfs/dbraw/zinc/51/64/75/1354516475.db2.gz YSYPDTUPOPFMED-UHFFFAOYSA-N 1 2 345.491 2.208 10 30 EEEELO CCCn1ncnc1C[N@@H+](CCCNC(=O)C#CC(C)(C)C)C1CC1 ZINC001660680934 1354516478 /nfs/dbraw/zinc/51/64/78/1354516478.db2.gz YSYPDTUPOPFMED-UHFFFAOYSA-N 1 2 345.491 2.208 10 30 EEEELO CCc1noc([C@H](C)[NH+]2CCC(N(C)C(=O)C#CC3CC3)CC2)n1 ZINC001660771951 1354535945 /nfs/dbraw/zinc/53/59/45/1354535945.db2.gz FNDQJSZNUDNDHZ-ZDUSSCGKSA-N 1 2 330.432 2.029 10 30 EEEELO 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215022028 /nfs/dbraw/zinc/02/20/28/215022028.db2.gz OGTMCYKWTOLNLZ-UHFFFAOYSA-N 1 2 345.443 2.065 10 30 EEEELO C[C@@H](C(=O)N(C)CCC#N)N1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC000091689874 533174723 /nfs/dbraw/zinc/17/47/23/533174723.db2.gz WASBLPNAWIDMET-HOTGVXAUSA-N 1 2 346.450 2.265 10 30 EEEELO C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCN([C@@H](C)c2cccc(F)c2)CC1 ZINC000091689874 533174729 /nfs/dbraw/zinc/17/47/29/533174729.db2.gz WASBLPNAWIDMET-HOTGVXAUSA-N 1 2 346.450 2.265 10 30 EEEELO N#Cc1ccc(S(=O)(=O)CCn2cc[nH+]c2-c2ccccc2)nc1 ZINC000345504660 161306984 /nfs/dbraw/zinc/30/69/84/161306984.db2.gz PHGDHHHFXXDSBL-UHFFFAOYSA-N 1 2 338.392 2.291 10 30 EEEELO N#Cc1ccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cn1 ZINC000359985826 164209734 /nfs/dbraw/zinc/20/97/34/164209734.db2.gz NBZIPEWZXIAPNE-QPJJXVBHSA-N 1 2 332.407 2.424 10 30 EEEELO N#Cc1ccc(CS(=O)(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c(F)c1 ZINC000359988605 164210438 /nfs/dbraw/zinc/21/04/38/164210438.db2.gz UGAJCCTZIKQFNA-UHFFFAOYSA-N 1 2 348.403 2.130 10 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2.427 10 30 EEEELO C[C@H](C#N)CN(C1CC1)S(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000520955867 468279275 /nfs/dbraw/zinc/27/92/75/468279275.db2.gz GQVWNFOZDDNLIQ-CQSZACIVSA-N 1 2 344.440 2.244 10 30 EEEELO CN(Cc1ccc2c(c1)OCO2)c1[nH+]cnc2c1cnn2CCC#N ZINC000065533136 462790843 /nfs/dbraw/zinc/79/08/43/462790843.db2.gz HMQSWGNZARONOU-UHFFFAOYSA-N 1 2 336.355 2.105 10 30 EEEELO N#Cc1c(Cl)nsc1N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000092652990 462969820 /nfs/dbraw/zinc/96/98/20/462969820.db2.gz ITSRZDOLQHOXCM-LLVKDONJSA-N 1 2 326.853 2.359 10 30 EEEELO CCc1noc([C@H](C)N2CC[NH+](Cc3cc(C#N)cs3)CC2)n1 ZINC000121414789 463131726 /nfs/dbraw/zinc/13/17/26/463131726.db2.gz WBUIMFWYARGEPN-LBPRGKRZSA-N 1 2 331.445 2.444 10 30 EEEELO C=CCNC(=O)C[NH+]1CCN(Cc2ccccc2C(F)(F)F)CC1 ZINC000053423172 463160969 /nfs/dbraw/zinc/16/09/69/463160969.db2.gz GFCKSCXSEUMKIO-UHFFFAOYSA-N 1 2 341.377 2.125 10 30 EEEELO C=CCNC(=O)CN1CC[NH+](Cc2ccccc2C(F)(F)F)CC1 ZINC000053423172 463160973 /nfs/dbraw/zinc/16/09/73/463160973.db2.gz GFCKSCXSEUMKIO-UHFFFAOYSA-N 1 2 341.377 2.125 10 30 EEEELO N#Cc1ccc(OC2C[NH+](C[C@@H](O)COCc3cccs3)C2)cc1 ZINC000158562493 463241557 /nfs/dbraw/zinc/24/15/57/463241557.db2.gz FXGBRUKCINLKOH-OAHLLOKOSA-N 1 2 344.436 2.260 10 30 EEEELO CCC(C)(C)NC(=O)C[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000029857888 463275687 /nfs/dbraw/zinc/27/56/87/463275687.db2.gz BNNOVLRSSOPUHY-UHFFFAOYSA-N 1 2 332.423 2.124 10 30 EEEELO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@H]1C[C@H]1C1CCCCC1 ZINC000162597394 463523317 /nfs/dbraw/zinc/52/33/17/463523317.db2.gz ZSLHIZMSBKPLRM-ROUUACIJSA-N 1 2 333.476 2.277 10 30 EEEELO Cn1ccnc1C[NH+]1CCC(C(=O)N(CCC#N)CC(C)(C)C)CC1 ZINC000170898827 463736595 /nfs/dbraw/zinc/73/65/95/463736595.db2.gz LJKUEBBTKYOFGK-UHFFFAOYSA-N 1 2 345.491 2.420 10 30 EEEELO Cn1ncc(C2CCC2)c1C[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000596983347 468407076 /nfs/dbraw/zinc/40/70/76/468407076.db2.gz WLKJJAOLUZKPAK-UHFFFAOYSA-N 1 2 336.443 2.276 10 30 EEEELO N#Cc1ccc(N2CC[NH+](Cc3cnn4c3CCC4)CC2)c(F)c1 ZINC000596995112 468410035 /nfs/dbraw/zinc/41/00/35/468410035.db2.gz HYUFMYXQSFIYTQ-UHFFFAOYSA-N 1 2 325.391 2.162 10 30 EEEELO CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])N1CC[C@H](CCO)C1)C2 ZINC000329771332 465430161 /nfs/dbraw/zinc/43/01/61/465430161.db2.gz JQXIMTRZSJSCDM-KGLIPLIRSA-N 1 2 334.464 2.114 10 30 EEEELO CC(C)n1ncc2c1C[C@H]([NH+]=C([O-])N(C)Cc1[nH+]ccn1C)CC2 ZINC000330111337 465535696 /nfs/dbraw/zinc/53/56/96/465535696.db2.gz RDUWOKWPFLCMJF-CQSZACIVSA-N 1 2 330.436 2.101 10 30 EEEELO CCO[C@H](C)c1nc(C[N@H+](C)CCC(=O)N(C)CCC#N)cs1 ZINC000357014418 465701889 /nfs/dbraw/zinc/70/18/89/465701889.db2.gz XZBFVQXDQJBHOA-CYBMUJFWSA-N 1 2 338.477 2.435 10 30 EEEELO CCO[C@H](C)c1nc(C[N@@H+](C)CCC(=O)N(C)CCC#N)cs1 ZINC000357014418 465701897 /nfs/dbraw/zinc/70/18/97/465701897.db2.gz XZBFVQXDQJBHOA-CYBMUJFWSA-N 1 2 338.477 2.435 10 30 EEEELO N#Cc1cccc(S(=O)(=O)CC[NH+]2CCC(C(F)F)CC2)c1 ZINC000307878951 466495623 /nfs/dbraw/zinc/49/56/23/466495623.db2.gz LKJRRDXRDIJUBT-UHFFFAOYSA-N 1 2 328.384 2.309 10 30 EEEELO C=CCc1ccc(OCC(=O)N2CCn3cc(C)[nH+]c3C2)c(OC)c1 ZINC000376265794 466902331 /nfs/dbraw/zinc/90/23/31/466902331.db2.gz MMGFJZJYFBUNOP-UHFFFAOYSA-N 1 2 341.411 2.350 10 30 EEEELO C=CCOc1ccccc1CNC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000370680424 466963574 /nfs/dbraw/zinc/96/35/74/466963574.db2.gz HAMLFLSZPSRAFA-CQSZACIVSA-N 1 2 326.400 2.331 10 30 EEEELO C=CCOc1ccccc1CNC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000370680424 466963579 /nfs/dbraw/zinc/96/35/79/466963579.db2.gz HAMLFLSZPSRAFA-CQSZACIVSA-N 1 2 326.400 2.331 10 30 EEEELO C=CCOCCS[C@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000419513167 467211817 /nfs/dbraw/zinc/21/18/17/467211817.db2.gz FRHNNYKGJAHVPK-OAHLLOKOSA-N 1 2 335.473 2.055 10 30 EEEELO COc1cc(C[NH2+]Cc2nn(C)cc2Br)ccc1C#N ZINC000393322088 467430876 /nfs/dbraw/zinc/43/08/76/467430876.db2.gz MUCOUJNYBSBJQH-UHFFFAOYSA-N 1 2 335.205 2.353 10 30 EEEELO N#CC[C@@H]1CC[C@H](NC(=O)NC2CCN(c3cccc[nH+]3)CC2)C1 ZINC000454335390 467585804 /nfs/dbraw/zinc/58/58/04/467585804.db2.gz YFNNDYKFYDESEN-HOCLYGCPSA-N 1 2 327.432 2.432 10 30 EEEELO Cc1cc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)ncc1C#N ZINC000457384137 467812138 /nfs/dbraw/zinc/81/21/38/467812138.db2.gz ISAIYFXODZDSSB-UHFFFAOYSA-N 1 2 345.406 2.091 10 30 EEEELO CC1(C)C[NH+](CC(=O)NC2(c3ccc(C#N)cc3)CCOCC2)C1 ZINC000530059206 467944486 /nfs/dbraw/zinc/94/44/86/467944486.db2.gz BRSPQKSMMRISOU-UHFFFAOYSA-N 1 2 327.428 2.022 10 30 EEEELO Cc1cccc([C@H](CNC(=O)CC2(C#N)CC2)[NH+]2CCOCC2)c1 ZINC000590154652 468219348 /nfs/dbraw/zinc/21/93/48/468219348.db2.gz ULGZXCYGHCXFPP-KRWDZBQOSA-N 1 2 327.428 2.178 10 30 EEEELO COc1cncc(/C=C\CCN(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000592071811 468612169 /nfs/dbraw/zinc/61/21/69/468612169.db2.gz RUWCEYLSTKRUPB-DJWKRKHSSA-N 1 2 344.459 2.041 10 30 EEEELO Cc1cn2ccc(NC(=O)C(=O)NCC3(C#N)CCCCC3)cc2[nH+]1 ZINC000595185678 468779870 /nfs/dbraw/zinc/77/98/70/468779870.db2.gz RTHFNILDRGAXDJ-UHFFFAOYSA-N 1 2 339.399 2.172 10 30 EEEELO COc1cccc(COC[C@@H](O)C[N@@H+]2Cc3cccc(C#N)c3C2)c1 ZINC000593124562 468879008 /nfs/dbraw/zinc/87/90/08/468879008.db2.gz LYQWSWXSKZPFSZ-SFHVURJKSA-N 1 2 338.407 2.460 10 30 EEEELO COc1cccc(COC[C@@H](O)C[N@H+]2Cc3cccc(C#N)c3C2)c1 ZINC000593124562 468879010 /nfs/dbraw/zinc/87/90/10/468879010.db2.gz LYQWSWXSKZPFSZ-SFHVURJKSA-N 1 2 338.407 2.460 10 30 EEEELO Cc1nc2ccccn2c(=O)c1CC[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000593127475 468879587 /nfs/dbraw/zinc/87/95/87/468879587.db2.gz SCOBBVJQRJPCRK-UHFFFAOYSA-N 1 2 330.391 2.433 10 30 EEEELO Cc1nc2ccccn2c(=O)c1CC[N@H+]1Cc2cccc(C#N)c2C1 ZINC000593127475 468879594 /nfs/dbraw/zinc/87/95/94/468879594.db2.gz SCOBBVJQRJPCRK-UHFFFAOYSA-N 1 2 330.391 2.433 10 30 EEEELO N#CCCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)c1ccc2c(c1)OCCO2 ZINC000602091936 469185423 /nfs/dbraw/zinc/18/54/23/469185423.db2.gz PNXKHYATVSHELH-ZIAGYGMSSA-N 1 2 338.367 2.231 10 30 EEEELO N#CCCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)c1ccc2c(c1)OCCO2 ZINC000602091936 469185429 /nfs/dbraw/zinc/18/54/29/469185429.db2.gz PNXKHYATVSHELH-ZIAGYGMSSA-N 1 2 338.367 2.231 10 30 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C=CCC(CC=C)C(=O)NC[C@@H]1CCCCC[N@H+]1Cc1cnn(C)n1 ZINC001485476413 1191804809 /nfs/dbraw/zinc/80/48/09/1191804809.db2.gz LAJAAABICFTLCU-SFHVURJKSA-N 1 2 345.491 2.444 10 30 EEEELO C=CCC(CC=C)C(=O)NC[C@@H]1CCCCC[N@@H+]1Cc1cnn(C)n1 ZINC001485476413 1191804810 /nfs/dbraw/zinc/80/48/10/1191804810.db2.gz LAJAAABICFTLCU-SFHVURJKSA-N 1 2 345.491 2.444 10 30 EEEELO C=C[C@@H](CC)CC(=O)N(C)C[C@@H]1CCCN1C(=O)Cc1c[nH+]cn1C ZINC001486560371 1194074107 /nfs/dbraw/zinc/07/41/07/1194074107.db2.gz DLNXCWXMVZJSNZ-HOTGVXAUSA-N 1 2 346.475 2.014 10 30 EEEELO C=C[C@@](C)(CC)C(=O)N(C)C[C@H]1CCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001486561927 1194076170 /nfs/dbraw/zinc/07/61/70/1194076170.db2.gz OMCSSTDJMZKQAY-BEFAXECRSA-N 1 2 346.475 2.312 10 30 EEEELO C#CCCCCCC(=O)NC1CC[NH+](CC(=O)OC(C)(C)C)CC1 ZINC000871542432 1197767959 /nfs/dbraw/zinc/76/79/59/1197767959.db2.gz HKLBRWKPXDJRNX-UHFFFAOYSA-N 1 2 336.476 2.492 10 30 EEEELO C#C[C@H]([NH2+]Cc1snc(OC)c1Br)[C@@H]1CCCO1 ZINC000877416989 1199926130 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ZINC001317166464 1332108489 /nfs/dbraw/zinc/10/84/89/1332108489.db2.gz NBWINHCJUHJXEH-HNNXBMFYSA-N 1 2 347.459 2.227 10 30 EEEELO C=CCOCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1noc2c1CCCC2 ZINC001317166464 1332108492 /nfs/dbraw/zinc/10/84/92/1332108492.db2.gz NBWINHCJUHJXEH-HNNXBMFYSA-N 1 2 347.459 2.227 10 30 EEEELO C=C[C@@](C)(O)CC(=O)NC[C@H]1CCCC[N@H+]1Cc1nc(C)c(C)o1 ZINC001317170922 1332110958 /nfs/dbraw/zinc/11/09/58/1332110958.db2.gz KDEUFZFHLBMWEQ-CRAIPNDOSA-N 1 2 335.448 2.089 10 30 EEEELO C=C[C@@](C)(O)CC(=O)NC[C@H]1CCCC[N@@H+]1Cc1nc(C)c(C)o1 ZINC001317170922 1332110959 /nfs/dbraw/zinc/11/09/59/1332110959.db2.gz KDEUFZFHLBMWEQ-CRAIPNDOSA-N 1 2 335.448 2.089 10 30 EEEELO C#CCOCCC(=O)N1CCC[C@H]([N@H+](C)Cc2coc(C3CC3)n2)C1 ZINC001317377096 1332203818 /nfs/dbraw/zinc/20/38/18/1332203818.db2.gz ROIGLZUJVMAJLW-KRWDZBQOSA-N 1 2 345.443 2.015 10 30 EEEELO C#CCOCCC(=O)N1CCC[C@H]([N@@H+](C)Cc2coc(C3CC3)n2)C1 ZINC001317377096 1332203821 /nfs/dbraw/zinc/20/38/21/1332203821.db2.gz 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CC(C)C#CC(=O)N[C@H]1CCC[N@H+](CC(=O)N(CC(C)C)C(C)C)C1 ZINC001317968584 1332453684 /nfs/dbraw/zinc/45/36/84/1332453684.db2.gz BOEWSWQCBSYFPK-SFHVURJKSA-N 1 2 349.519 2.119 10 30 EEEELO CCCc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC#CCOC)cc1 ZINC001318216427 1332490058 /nfs/dbraw/zinc/49/00/58/1332490058.db2.gz OXTQMJMUZFLGST-OALUTQOASA-N 1 2 326.440 2.188 10 30 EEEELO CCCc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC#CCOC)cc1 ZINC001318216427 1332490061 /nfs/dbraw/zinc/49/00/61/1332490061.db2.gz OXTQMJMUZFLGST-OALUTQOASA-N 1 2 326.440 2.188 10 30 EEEELO C=CCCCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H](C)C(=O)NC(CC)CC ZINC001318217251 1332490356 /nfs/dbraw/zinc/49/03/56/1332490356.db2.gz YNQGAGMGHBXNOC-PVAVHDDUSA-N 1 2 335.492 2.321 10 30 EEEELO C=CCCCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H](C)C(=O)NC(CC)CC ZINC001318217251 1332490358 /nfs/dbraw/zinc/49/03/58/1332490358.db2.gz YNQGAGMGHBXNOC-PVAVHDDUSA-N 1 2 335.492 2.321 10 30 EEEELO COCC#CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(-c3ccco3)s2)C1 ZINC001318363094 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10 30 EEEELO C=C1CCC(C(=O)NCC2(O)C[NH+](Cc3ccc(C)cc3)C2)CC1 ZINC001325259672 1333854794 /nfs/dbraw/zinc/85/47/94/1333854794.db2.gz RIDWIYCMMJQEBL-UHFFFAOYSA-N 1 2 328.456 2.404 10 30 EEEELO C=C(C)C[NH+]1CC(O)(CNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)C1 ZINC001325284292 1333858198 /nfs/dbraw/zinc/85/81/98/1333858198.db2.gz ADLSGCDDGNTREB-JKSUJKDBSA-N 1 2 334.847 2.183 10 30 EEEELO COCC#CC[N@H+]1Cc2ccc(CNC(=O)CCCCOC)cc2C1 ZINC001327682873 1334333164 /nfs/dbraw/zinc/33/31/64/1334333164.db2.gz RWOZVBKBXOFZBP-UHFFFAOYSA-N 1 2 344.455 2.085 10 30 EEEELO COCC#CC[N@@H+]1Cc2ccc(CNC(=O)CCCCOC)cc2C1 ZINC001327682873 1334333166 /nfs/dbraw/zinc/33/31/66/1334333166.db2.gz RWOZVBKBXOFZBP-UHFFFAOYSA-N 1 2 344.455 2.085 10 30 EEEELO C=C[C@@](C)(CC)C(=O)NC[C@H](C)[N@H+](C)CC(=O)Nc1ccc(O)cc1 ZINC001329538638 1334670098 /nfs/dbraw/zinc/67/00/98/1334670098.db2.gz CHGNZZQFZVWKGY-LIRRHRJNSA-N 1 2 347.459 2.370 10 30 EEEELO C=C[C@@](C)(CC)C(=O)NC[C@H](C)[N@@H+](C)CC(=O)Nc1ccc(O)cc1 ZINC001329538638 1334670102 /nfs/dbraw/zinc/67/01/02/1334670102.db2.gz CHGNZZQFZVWKGY-LIRRHRJNSA-N 1 2 347.459 2.370 10 30 EEEELO C=CCCO[C@@H](C)C(=O)NC[C@H]1CCCCC[N@@H+]1Cc1ncccn1 ZINC001329910076 1334737824 /nfs/dbraw/zinc/73/78/24/1334737824.db2.gz YWEPZEWWGUEUIK-DLBZAZTESA-N 1 2 346.475 2.319 10 30 EEEELO C=CCCO[C@@H](C)C(=O)NC[C@H]1CCCCC[N@H+]1Cc1ncccn1 ZINC001329910076 1334737828 /nfs/dbraw/zinc/73/78/28/1334737828.db2.gz YWEPZEWWGUEUIK-DLBZAZTESA-N 1 2 346.475 2.319 10 30 EEEELO CC(C)C#CC(=O)NC[C@H](CO)[NH2+]Cc1csc(C2CCCC2)n1 ZINC001331711782 1335062435 /nfs/dbraw/zinc/06/24/35/1335062435.db2.gz JYKRQYNULCSOHD-OAHLLOKOSA-N 1 2 349.500 2.027 10 30 EEEELO CC(C)c1nnc(C[N@@H+]2CC[C@]3(NC(=O)C#CC4CC4)CCC[C@H]23)o1 ZINC001332087131 1335724934 /nfs/dbraw/zinc/72/49/34/1335724934.db2.gz APHRZWJDVWBJDZ-HNAYVOBHSA-N 1 2 342.443 2.220 10 30 EEEELO CC(C)c1nnc(C[N@H+]2CC[C@]3(NC(=O)C#CC4CC4)CCC[C@H]23)o1 ZINC001332087131 1335724937 /nfs/dbraw/zinc/72/49/37/1335724937.db2.gz APHRZWJDVWBJDZ-HNAYVOBHSA-N 1 2 342.443 2.220 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Cc1cc(C[NH2+][C@@H](CNC(=O)c2c[nH]c(C#N)c2)c2ccccc2)on1 ZINC001691782720 1404909335 /nfs/dbraw/zinc/90/93/35/1404909335.db2.gz QYLNYDLFYSIZQU-SFHVURJKSA-N 1 2 349.394 2.444 10 30 EEEELO C=CCCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H](C)C(=O)N(C)C1CCCCC1 ZINC001692357671 1405005021 /nfs/dbraw/zinc/00/50/21/1405005021.db2.gz CXVRVFLSEXZHFS-SZMVWBNQSA-N 1 2 347.503 2.417 10 30 EEEELO C=CCCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H](C)C(=O)N(C)C1CCCCC1 ZINC001692357671 1405005030 /nfs/dbraw/zinc/00/50/30/1405005030.db2.gz CXVRVFLSEXZHFS-SZMVWBNQSA-N 1 2 347.503 2.417 10 30 EEEELO C=CCCO[C@H](C)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1c(C)onc1CC ZINC001692358241 1405005901 /nfs/dbraw/zinc/00/59/01/1405005901.db2.gz QRHVOOOTOJTAHX-PMPSAXMXSA-N 1 2 347.459 2.312 10 30 EEEELO C=CCCO[C@H](C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1c(C)onc1CC ZINC001692358241 1405005904 /nfs/dbraw/zinc/00/59/04/1405005904.db2.gz QRHVOOOTOJTAHX-PMPSAXMXSA-N 1 2 347.459 2.312 10 30 EEEELO C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@H](C)CCc2cccc(F)c2)C1 ZINC001698789085 1405062641 /nfs/dbraw/zinc/06/26/41/1405062641.db2.gz MBPQWLPBEXUHBD-CRAIPNDOSA-N 1 2 334.435 2.397 10 30 EEEELO C=CC[N@H+]1CCO[C@H](CNC(=O)[C@H](C)CCc2cccc(F)c2)C1 ZINC001698789085 1405062649 /nfs/dbraw/zinc/06/26/49/1405062649.db2.gz MBPQWLPBEXUHBD-CRAIPNDOSA-N 1 2 334.435 2.397 10 30 EEEELO Cc1ncccc1CC(=O)NC[C@@H]1CC[N@@H+]1CC#Cc1ccccc1 ZINC001699635824 1405426873 /nfs/dbraw/zinc/42/68/73/1405426873.db2.gz ZJHREXIQMHZLJK-FQEVSTJZSA-N 1 2 333.435 2.175 10 30 EEEELO Cc1ncccc1CC(=O)NC[C@@H]1CC[N@H+]1CC#Cc1ccccc1 ZINC001699635824 1405426877 /nfs/dbraw/zinc/42/68/77/1405426877.db2.gz ZJHREXIQMHZLJK-FQEVSTJZSA-N 1 2 333.435 2.175 10 30 EEEELO NC(=NOCc1ccccc1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000181846513 777832211 /nfs/dbraw/zinc/83/22/11/777832211.db2.gz QPXFKSQFJAJBTE-SFHVURJKSA-N 1 2 325.412 2.376 10 30 EEEELO NC(=NOCc1ccccc1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000181846513 777832222 /nfs/dbraw/zinc/83/22/22/777832222.db2.gz QPXFKSQFJAJBTE-SFHVURJKSA-N 1 2 325.412 2.376 10 30 EEEELO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2nccs2)CC1(C)C ZINC000941039486 779724221 /nfs/dbraw/zinc/72/42/21/779724221.db2.gz RBWZEUPSLNVIIA-ILXRZTDVSA-N 1 2 349.500 2.451 10 30 EEEELO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2nccs2)CC1(C)C ZINC000941039486 779724232 /nfs/dbraw/zinc/72/42/32/779724232.db2.gz RBWZEUPSLNVIIA-ILXRZTDVSA-N 1 2 349.500 2.451 10 30 EEEELO C=CC(C)(C)C(=O)N1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC000941073602 779791014 /nfs/dbraw/zinc/79/10/14/779791014.db2.gz LWMPTHNSRFFESS-HNNXBMFYSA-N 1 2 332.448 2.107 10 30 EEEELO CC#CC[NH+]1CC(N2CCN(C(=O)[C@@]3(C)CCC[C@@H]3CC)CC2)C1 ZINC000941455805 780530571 /nfs/dbraw/zinc/53/05/71/780530571.db2.gz FZVXPGSMYADXTJ-PXNSSMCTSA-N 1 2 331.504 2.055 10 30 EEEELO C=C[C@@](C)(CC)C(=O)N1CCN(C2C[NH+](Cc3ccccn3)C2)CC1 ZINC000941546992 780693833 /nfs/dbraw/zinc/69/38/33/780693833.db2.gz FAFOXJWGKGIVPC-FQEVSTJZSA-N 1 2 342.487 2.012 10 30 EEEELO C#C[C@@H]1CCC[N@@H+](Cc2nc3oc(C)c(C(=O)OCC)c3c(N)n2)C1 ZINC000847017945 790834571 /nfs/dbraw/zinc/83/45/71/790834571.db2.gz FZDPTIHNBKEOOC-GFCCVEGCSA-N 1 2 342.399 2.135 10 30 EEEELO C#C[C@@H]1CCC[N@H+](Cc2nc3oc(C)c(C(=O)OCC)c3c(N)n2)C1 ZINC000847017945 790834583 /nfs/dbraw/zinc/83/45/83/790834583.db2.gz FZDPTIHNBKEOOC-GFCCVEGCSA-N 1 2 342.399 2.135 10 30 EEEELO O=C(/C=C/c1ccc(F)cc1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001135498268 783885861 /nfs/dbraw/zinc/88/58/61/783885861.db2.gz WVOYOVXHDWBBIJ-RMKNXTFCSA-N 1 2 339.370 2.152 10 30 EEEELO C#CC[N@H+]1CCCN(C(=O)[C@@H](C)CC(=O)c2ccc(OC)cc2)CC1 ZINC001147291239 791783837 /nfs/dbraw/zinc/78/38/37/791783837.db2.gz MXFCTMDPZWLQPJ-INIZCTEOSA-N 1 2 342.439 2.072 10 30 EEEELO C#CC[N@@H+]1CCCN(C(=O)[C@@H](C)CC(=O)c2ccc(OC)cc2)CC1 ZINC001147291239 791783843 /nfs/dbraw/zinc/78/38/43/791783843.db2.gz MXFCTMDPZWLQPJ-INIZCTEOSA-N 1 2 342.439 2.072 10 30 EEEELO C[NH+](C)Cc1csc(CNC(=O)NCc2ccc(C#N)cc2F)n1 ZINC000917055087 798048993 /nfs/dbraw/zinc/04/89/93/798048993.db2.gz BBRBGRTXMJFGMD-UHFFFAOYSA-N 1 2 347.419 2.215 10 30 EEEELO C=C(C)C[C@@H](CO)NC(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000922747132 801791920 /nfs/dbraw/zinc/79/19/20/801791920.db2.gz CWOPHAGJCDERLE-AWEZNQCLSA-N 1 2 333.457 2.319 10 30 EEEELO C[C@H](C#N)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nnc(C(C)(C)C)o1 ZINC001436927265 1088590404 /nfs/dbraw/zinc/59/04/04/1088590404.db2.gz KZILSMDCKRJLKO-RLAWYHOSSA-N 1 2 345.447 2.138 10 30 EEEELO C[C@H](C#N)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nnc(C(C)(C)C)o1 ZINC001436927265 1088590421 /nfs/dbraw/zinc/59/04/21/1088590421.db2.gz KZILSMDCKRJLKO-RLAWYHOSSA-N 1 2 345.447 2.138 10 30 EEEELO CC[C@H](CNC(=O)c1ccc(C#N)[nH]1)[NH2+][C@H](C)c1nc(C(C)C)no1 ZINC001438301427 1090780744 /nfs/dbraw/zinc/78/07/44/1090780744.db2.gz NZSXLMKKBKURQW-VXGBXAGGSA-N 1 2 344.419 2.252 10 30 EEEELO CN(CC[N@H+](C)Cc1cc(C#N)ccc1F)C(=O)CCn1cccc1 ZINC001438930667 1091610863 /nfs/dbraw/zinc/61/08/63/1091610863.db2.gz VELKFIXCSNTFSW-UHFFFAOYSA-N 1 2 342.418 2.479 10 30 EEEELO CN(CC[N@@H+](C)Cc1cc(C#N)ccc1F)C(=O)CCn1cccc1 ZINC001438930667 1091610866 /nfs/dbraw/zinc/61/08/66/1091610866.db2.gz VELKFIXCSNTFSW-UHFFFAOYSA-N 1 2 342.418 2.479 10 30 EEEELO C[C@@H](C[NH2+]Cc1ccc(C#N)cc1F)NC(=O)C(F)C(F)(F)F ZINC001439214777 1091859452 /nfs/dbraw/zinc/85/94/52/1091859452.db2.gz MSVPICXKAKWPLS-QPUJVOFHSA-N 1 2 335.276 2.192 10 30 EEEELO C[C@@H](C[NH2+]Cc1ccc(C#N)cc1F)NC(=O)[C@@H](F)C(F)(F)F ZINC001439214777 1091859459 /nfs/dbraw/zinc/85/94/59/1091859459.db2.gz MSVPICXKAKWPLS-QPUJVOFHSA-N 1 2 335.276 2.192 10 30 EEEELO C=C(Cl)C[N@H+]1CCC[C@@](CO)(NC(=O)C[C@@H](C)c2ccco2)C1 ZINC001440187567 1093249570 /nfs/dbraw/zinc/24/95/70/1093249570.db2.gz SPIWZIUANNZDSN-CXAGYDPISA-N 1 2 340.851 2.469 10 30 EEEELO C=C(Cl)C[N@@H+]1CCC[C@@](CO)(NC(=O)C[C@@H](C)c2ccco2)C1 ZINC001440187567 1093249574 /nfs/dbraw/zinc/24/95/74/1093249574.db2.gz SPIWZIUANNZDSN-CXAGYDPISA-N 1 2 340.851 2.469 10 30 EEEELO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1cc(-c2ccn(C)c2)n[nH]1 ZINC001440930119 1094182540 /nfs/dbraw/zinc/18/25/40/1094182540.db2.gz FPFLWXBIKDNCBL-LBPRGKRZSA-N 1 2 335.839 2.218 10 30 EEEELO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1cc(-c2ccn(C)c2)n[nH]1 ZINC001440930119 1094182542 /nfs/dbraw/zinc/18/25/42/1094182542.db2.gz FPFLWXBIKDNCBL-LBPRGKRZSA-N 1 2 335.839 2.218 10 30 EEEELO C=C(Br)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H](C)CSC ZINC001442781147 1097157643 /nfs/dbraw/zinc/15/76/43/1097157643.db2.gz QDYIAFZSUYMGMN-ZYHUDNBSSA-N 1 2 335.311 2.475 10 30 EEEELO C=C(Br)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C)CSC ZINC001442781147 1097157648 /nfs/dbraw/zinc/15/76/48/1097157648.db2.gz QDYIAFZSUYMGMN-ZYHUDNBSSA-N 1 2 335.311 2.475 10 30 EEEELO C[C@@H]1[C@@H](NC(=O)C#CC(C)(C)C)CC[N@@H+]1Cc1cc2n(n1)CCCC2 ZINC001479707218 1098785262 /nfs/dbraw/zinc/78/52/62/1098785262.db2.gz WZWHDOJAYUGJNL-QAPCUYQASA-N 1 2 342.487 2.348 10 30 EEEELO C[C@@H]1[C@@H](NC(=O)C#CC(C)(C)C)CC[N@H+]1Cc1cc2n(n1)CCCC2 ZINC001479707218 1098785271 /nfs/dbraw/zinc/78/52/71/1098785271.db2.gz WZWHDOJAYUGJNL-QAPCUYQASA-N 1 2 342.487 2.348 10 30 EEEELO C#CCC[NH2+]Cc1nc2c(s1)CCN(C(=O)C(F)C(F)(F)F)C2 ZINC001479741658 1098864318 /nfs/dbraw/zinc/86/43/18/1098864318.db2.gz ZTJWZFUENMWDFV-GFCCVEGCSA-N 1 2 349.353 2.041 10 30 EEEELO C#CCO[C@@H](C)C(=O)N[C@H]1CC[N@H+](Cc2c(F)cccc2Cl)C1 ZINC001479953069 1099383894 /nfs/dbraw/zinc/38/38/94/1099383894.db2.gz ZIMUFVGJIUSOJM-STQMWFEESA-N 1 2 338.810 2.208 10 30 EEEELO C#CCO[C@@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2c(F)cccc2Cl)C1 ZINC001479953069 1099383901 /nfs/dbraw/zinc/38/39/01/1099383901.db2.gz ZIMUFVGJIUSOJM-STQMWFEESA-N 1 2 338.810 2.208 10 30 EEEELO C=C(C)[C@H](CC(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)c2noc(C)n2)C1)OCC ZINC001480207058 1099812586 /nfs/dbraw/zinc/81/25/86/1099812586.db2.gz RTCIUGOBFFWHED-MHEUCROKSA-N 1 2 336.436 2.047 10 30 EEEELO CCCc1noc(C[N@@H+]2CCC[C@H](CNC(=O)C#CC(C)(C)C)C2)n1 ZINC001480253402 1099908408 /nfs/dbraw/zinc/90/84/08/1099908408.db2.gz VSWAYJWQZBPTJW-OAHLLOKOSA-N 1 2 346.475 2.400 10 30 EEEELO CCCc1noc(C[N@H+]2CCC[C@H](CNC(=O)C#CC(C)(C)C)C2)n1 ZINC001480253402 1099908414 /nfs/dbraw/zinc/90/84/14/1099908414.db2.gz VSWAYJWQZBPTJW-OAHLLOKOSA-N 1 2 346.475 2.400 10 30 EEEELO C=C[C@@H](CC)CC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H](C)c3nnc(CC)[nH]3)C[C@H]21 ZINC001480393857 1100200013 /nfs/dbraw/zinc/20/00/13/1100200013.db2.gz GZPUEGUGGLRBAW-CKENWRIRSA-N 1 2 331.464 2.077 10 30 EEEELO C=C[C@@H](CC)CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)c3nnc(CC)[nH]3)C[C@H]21 ZINC001480393857 1100200016 /nfs/dbraw/zinc/20/00/16/1100200016.db2.gz GZPUEGUGGLRBAW-CKENWRIRSA-N 1 2 331.464 2.077 10 30 EEEELO C#Cc1ccc(C(=O)NC[C@@H](C)[NH2+]Cc2nc(C3CCC3)no2)cc1 ZINC001480515471 1100346855 /nfs/dbraw/zinc/34/68/55/1100346855.db2.gz UPYKUCITBIIELU-CYBMUJFWSA-N 1 2 338.411 2.227 10 30 EEEELO CC(C)C#CC(=O)N[C@H](C[NH2+]Cc1cnsn1)C1CCCCC1 ZINC001496314277 1100906696 /nfs/dbraw/zinc/90/66/96/1100906696.db2.gz NULYMXKKPKTSDA-MRXNPFEDSA-N 1 2 334.489 2.352 10 30 EEEELO C[C@H](CNC(=O)C(F)C(F)(F)F)C[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001495666287 1101407559 /nfs/dbraw/zinc/40/75/59/1101407559.db2.gz ARQQQYIYPFXTTM-TVQRCGJNSA-N 1 2 349.303 2.440 10 30 EEEELO C[C@H](CNC(=O)[C@@H](F)C(F)(F)F)C[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001495666287 1101407568 /nfs/dbraw/zinc/40/75/68/1101407568.db2.gz ARQQQYIYPFXTTM-TVQRCGJNSA-N 1 2 349.303 2.440 10 30 EEEELO C=CCN1CC[NH+](CCN(C)C(=O)c2ccc3cc[nH]c3c2)CC1 ZINC001494104219 1103522435 /nfs/dbraw/zinc/52/24/35/1103522435.db2.gz SMWHLSCUUNNYDG-UHFFFAOYSA-N 1 2 326.444 2.044 10 30 EEEELO C=CCN1CC[NH+](CCN(C)C(=O)[C@H](C)c2ccccc2C)CC1 ZINC001494108144 1103526983 /nfs/dbraw/zinc/52/69/83/1103526983.db2.gz IDQADBYBVJKHFB-GOSISDBHSA-N 1 2 329.488 2.361 10 30 EEEELO C=C(C)C(C)(C)C(=O)N1CCCC[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001494337304 1103905385 /nfs/dbraw/zinc/90/53/85/1103905385.db2.gz APVMNTNAWDQLPD-HNNXBMFYSA-N 1 2 346.475 2.062 10 30 EEEELO CC(C)Cc1ccc(C[NH+]2CC(CCO)(NC(=O)[C@@H](C)C#N)C2)cc1 ZINC001448154431 1104118081 /nfs/dbraw/zinc/11/80/81/1104118081.db2.gz AXSYKUMQTKSSST-INIZCTEOSA-N 1 2 343.471 2.098 10 30 EEEELO C=CCCO[C@@H](C)C(=O)N(C)[C@@H]1CC[N@H+](Cc2csc(C)n2)C1 ZINC001494810865 1104403004 /nfs/dbraw/zinc/40/30/04/1104403004.db2.gz UMGATNWNXASGBP-XJKSGUPXSA-N 1 2 337.489 2.465 10 30 EEEELO C=CCCO[C@@H](C)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2csc(C)n2)C1 ZINC001494810865 1104403009 /nfs/dbraw/zinc/40/30/09/1104403009.db2.gz UMGATNWNXASGBP-XJKSGUPXSA-N 1 2 337.489 2.465 10 30 EEEELO Cc1n[nH]c(C(=O)N[C@@H](C)C[N@H+](C)Cc2cccc(C#N)c2)c1C ZINC001498250364 1107155425 /nfs/dbraw/zinc/15/54/25/1107155425.db2.gz WIEFMIRXLKSVSV-LBPRGKRZSA-N 1 2 325.416 2.149 10 30 EEEELO Cc1n[nH]c(C(=O)N[C@@H](C)C[N@@H+](C)Cc2cccc(C#N)c2)c1C ZINC001498250364 1107155432 /nfs/dbraw/zinc/15/54/32/1107155432.db2.gz WIEFMIRXLKSVSV-LBPRGKRZSA-N 1 2 325.416 2.149 10 30 EEEELO C#Cc1ccc(C(=O)N[C@@H](C)C[N@H+](C)Cc2ncoc2C(C)C)nc1 ZINC001498426338 1107502017 /nfs/dbraw/zinc/50/20/17/1107502017.db2.gz CONABLSPYAKBPS-AWEZNQCLSA-N 1 2 340.427 2.425 10 30 EEEELO C#Cc1ccc(C(=O)N[C@@H](C)C[N@@H+](C)Cc2ncoc2C(C)C)nc1 ZINC001498426338 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C=CCC1(C(=O)NCC2([NH2+]Cc3cnn(C)n3)CC2)CCCCC1 ZINC001670903437 1193494333 /nfs/dbraw/zinc/49/43/33/1193494333.db2.gz KDKSLPLXHMXTRN-UHFFFAOYSA-N 1 2 331.464 2.080 10 30 EEEELO C=CCC1(C(=O)N(C)C[C@H]2CC[N@H+]2[C@@H]2CCN(C(C)C)C2=O)CCC1 ZINC001691657800 1193606738 /nfs/dbraw/zinc/60/67/38/1193606738.db2.gz ZBEMPYQTVYAMEM-IAGOWNOFSA-N 1 2 347.503 2.275 10 30 EEEELO C=CCC1(C(=O)N(C)C[C@H]2CC[N@@H+]2[C@@H]2CCN(C(C)C)C2=O)CCC1 ZINC001691657800 1193606741 /nfs/dbraw/zinc/60/67/41/1193606741.db2.gz ZBEMPYQTVYAMEM-IAGOWNOFSA-N 1 2 347.503 2.275 10 30 EEEELO Cc1nnsc1C(=O)N[C@@H](C)C[N@H+](C)Cc1cc(F)ccc1C#N ZINC001483310932 1190324982 /nfs/dbraw/zinc/32/49/82/1190324982.db2.gz LEWSMZFAKQXMAM-JTQLQIEISA-N 1 2 347.419 2.108 10 30 EEEELO Cc1nnsc1C(=O)N[C@@H](C)C[N@@H+](C)Cc1cc(F)ccc1C#N ZINC001483310932 1190324986 /nfs/dbraw/zinc/32/49/86/1190324986.db2.gz LEWSMZFAKQXMAM-JTQLQIEISA-N 1 2 347.419 2.108 10 30 EEEELO Cc1cccc(NC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)C#CC(C)C)c1 ZINC001483335462 1190366225 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CC(C)n1cc([C@]2(O)CCC[N@@H+](Cc3ccc(F)cc3C#N)C2)nn1 ZINC000583617835 468725927 /nfs/dbraw/zinc/72/59/27/468725927.db2.gz XWBNCJPFUSDPTM-SFHVURJKSA-N 1 2 343.406 2.353 10 30 EEEELO Cc1oc(C#N)cc1C(=O)NC[C@@H]1OCC[N@@H+](C)[C@H]1c1ccccc1 ZINC000583619205 468727426 /nfs/dbraw/zinc/72/74/26/468727426.db2.gz SLAOHUVJRGGUSQ-ROUUACIJSA-N 1 2 339.395 2.261 10 30 EEEELO Cc1oc(C#N)cc1C(=O)NC[C@@H]1OCC[N@H+](C)[C@H]1c1ccccc1 ZINC000583619205 468727430 /nfs/dbraw/zinc/72/74/30/468727430.db2.gz SLAOHUVJRGGUSQ-ROUUACIJSA-N 1 2 339.395 2.261 10 30 EEEELO C=CCNC(=O)NC(=O)C[N@@H+]1CCc2oc(-c3ccccc3)cc2C1 ZINC000593051228 468852469 /nfs/dbraw/zinc/85/24/69/468852469.db2.gz MADGZEWCWHJHRO-UHFFFAOYSA-N 1 2 339.395 2.317 10 30 EEEELO C=CCNC(=O)NC(=O)C[N@H+]1CCc2oc(-c3ccccc3)cc2C1 ZINC000593051228 468852472 /nfs/dbraw/zinc/85/24/72/468852472.db2.gz MADGZEWCWHJHRO-UHFFFAOYSA-N 1 2 339.395 2.317 10 30 EEEELO C[C@@]1(C#N)CCN(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000595469665 468866364 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1185765218 /nfs/dbraw/zinc/76/52/18/1185765218.db2.gz ILUXWWZSDFONMJ-GOSISDBHSA-N 1 2 332.448 2.290 10 30 EEEELO C#CCCCCC(=O)NC[C@@]1(C)CCC[N@H+](Cc2nnc(C)o2)C1 ZINC001270949664 1185765226 /nfs/dbraw/zinc/76/52/26/1185765226.db2.gz ILUXWWZSDFONMJ-GOSISDBHSA-N 1 2 332.448 2.290 10 30 EEEELO C#Cc1cccc(NC(=O)C[N@@H+](C)CCN(C)C(=O)/C=C(/C)CC)c1 ZINC001482595184 1187248074 /nfs/dbraw/zinc/24/80/74/1187248074.db2.gz LYGJVEDBZRKKLC-SSZFMOIBSA-N 1 2 341.455 2.353 10 30 EEEELO C#Cc1cccc(NC(=O)C[N@H+](C)CCN(C)C(=O)/C=C(/C)CC)c1 ZINC001482595184 1187248078 /nfs/dbraw/zinc/24/80/78/1187248078.db2.gz LYGJVEDBZRKKLC-SSZFMOIBSA-N 1 2 341.455 2.353 10 30 EEEELO C[C@H](C#N)C(=O)NC/C=C\C[NH2+]Cc1ncc(-c2cccc(F)c2)o1 ZINC001482991072 1187969115 /nfs/dbraw/zinc/96/91/15/1187969115.db2.gz LYVZEPZXRAXFLP-XQJDBVBESA-N 1 2 342.374 2.402 10 30 EEEELO CC(C)c1cnc(C[NH2+]C/C=C/CNC(=O)c2c[nH]c(C#N)c2)o1 ZINC001483000036 1187979369 /nfs/dbraw/zinc/97/93/69/1187979369.db2.gz VSLOPWYEWBPKMQ-ONEGZZNKSA-N 1 2 327.388 2.074 10 30 EEEELO C=C1CCC(C(=O)NC/C=C/C[NH2+]Cc2nn(CC)nc2C)CC1 ZINC001483054027 1188310763 /nfs/dbraw/zinc/31/07/63/1188310763.db2.gz JOYCFDVCZIPDGN-AATRIKPKSA-N 1 2 331.464 2.115 10 30 EEEELO C=CC[C@@H](C(=O)N(C)CC[NH2+]Cc1nncs1)c1ccccc1 ZINC001691615288 1188316979 /nfs/dbraw/zinc/31/69/79/1188316979.db2.gz MAROTLYSKNQENE-OAHLLOKOSA-N 1 2 330.457 2.446 10 30 EEEELO C#CCC1(C(=O)NC/C=C/C[NH2+]Cc2nonc2C)CCCCC1 ZINC001483099741 1188476960 /nfs/dbraw/zinc/47/69/60/1188476960.db2.gz SPKKWHRWEOHBQX-BQYQJAHWSA-N 1 2 330.432 2.114 10 30 EEEELO C=CCCC(=O)N[C@@H](C)C[NH2+]Cc1ncsc1Br ZINC001483212854 1189174584 /nfs/dbraw/zinc/17/45/84/1189174584.db2.gz FWDAOQXECCRICF-VIFPVBQESA-N 1 2 332.267 2.466 10 30 EEEELO COC[C@@H](C)NC(=S)NN=C(C)c1cccc(-n2cc[nH+]c2)c1 ZINC000905422058 1189716638 /nfs/dbraw/zinc/71/66/38/1189716638.db2.gz VAKSYSQSMWVSBJ-GFCCVEGCSA-N 1 2 331.445 2.095 10 30 EEEELO CC(C)c1ccc(NC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H](C)C#N)cc1 ZINC001483319323 1190345814 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325.412 2.298 10 30 EEEELO O=C(CCc1cccnc1)NC[C@H]1CC[N@@H+]1CC#Cc1ccccc1 ZINC001483664942 1190724940 /nfs/dbraw/zinc/72/49/40/1190724940.db2.gz IJPXABNBFGIXJA-HXUWFJFHSA-N 1 2 333.435 2.256 10 30 EEEELO O=C(CCc1cccnc1)NC[C@H]1CC[N@H+]1CC#Cc1ccccc1 ZINC001483664942 1190724941 /nfs/dbraw/zinc/72/49/41/1190724941.db2.gz IJPXABNBFGIXJA-HXUWFJFHSA-N 1 2 333.435 2.256 10 30 EEEELO C[C@H](C#N)C(=O)NCC1([NH2+]Cc2ncc(-c3cccc(F)c3)o2)CC1 ZINC001483723472 1190820144 /nfs/dbraw/zinc/82/01/44/1190820144.db2.gz OYCYOJGDJKSWSP-GFCCVEGCSA-N 1 2 342.374 2.379 10 30 EEEELO N#CC[N@H+](CC1CC1)C1CCN(C(=O)c2ccc3[nH]ccc3n2)CC1 ZINC001483817155 1191045602 /nfs/dbraw/zinc/04/56/02/1191045602.db2.gz YAIPNPMXKYYAKE-UHFFFAOYSA-N 1 2 337.427 2.403 10 30 EEEELO N#CC[N@@H+](CC1CC1)C1CCN(C(=O)c2ccc3[nH]ccc3n2)CC1 ZINC001483817155 1191045604 /nfs/dbraw/zinc/04/56/04/1191045604.db2.gz YAIPNPMXKYYAKE-UHFFFAOYSA-N 1 2 337.427 2.403 10 30 EEEELO C#CCCCC(=O)N1CCC[C@@H]1C[NH2+]Cc1nc(CC(C)C)no1 ZINC001483927437 1191127714 /nfs/dbraw/zinc/12/77/14/1191127714.db2.gz GFGDQBKPQMRUON-OAHLLOKOSA-N 1 2 332.448 2.152 10 30 EEEELO C#CCN(C(=O)[C@H](C)CCC)C1CC[NH+]([C@H](C)c2nncn2C)CC1 ZINC001483982571 1191136856 /nfs/dbraw/zinc/13/68/56/1191136856.db2.gz YRUPYMDKPSMEEI-HZPDHXFCSA-N 1 2 345.491 2.239 10 30 EEEELO C#CCN(C(=O)c1ccsn1)C1CC[NH+](Cc2cscn2)CC1 ZINC001483984878 1191142541 /nfs/dbraw/zinc/14/25/41/1191142541.db2.gz CBNGTKSKEFXJOR-UHFFFAOYSA-N 1 2 346.481 2.340 10 30 EEEELO C#CCN(C(=O)[C@@H](F)CC)C1CC[NH+]([C@@H](C)c2ncccn2)CC1 ZINC001483985721 1191142980 /nfs/dbraw/zinc/14/29/80/1191142980.db2.gz HKXQJPUGICWKJJ-HOCLYGCPSA-N 1 2 332.423 2.212 10 30 EEEELO C=C(Cl)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)Cc2cnoc2)C1 ZINC001484198319 1191269586 /nfs/dbraw/zinc/26/95/86/1191269586.db2.gz ILRUOUZKQKWDFY-LBPRGKRZSA-N 1 2 333.766 2.043 10 30 EEEELO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)Cc2cnoc2)C1 ZINC001484198319 1191269587 /nfs/dbraw/zinc/26/95/87/1191269587.db2.gz ILRUOUZKQKWDFY-LBPRGKRZSA-N 1 2 333.766 2.043 10 30 EEEELO C#CCCCC(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2Cc1nnc(C2CC2)o1 ZINC001484455509 1191357894 /nfs/dbraw/zinc/35/78/94/1191357894.db2.gz JPOSWRKVFRTZLR-HOTGVXAUSA-N 1 2 342.443 2.316 10 30 EEEELO C#CCCCC(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2Cc1nnc(C2CC2)o1 ZINC001484455509 1191357896 /nfs/dbraw/zinc/35/78/96/1191357896.db2.gz JPOSWRKVFRTZLR-HOTGVXAUSA-N 1 2 342.443 2.316 10 30 EEEELO CO[C@H](C)CCC(=O)N[C@H](C)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001409918714 1191432534 /nfs/dbraw/zinc/43/25/34/1191432534.db2.gz MFMIJKPNOOMCFE-ZIAGYGMSSA-N 1 2 347.434 2.449 10 30 EEEELO C=CC(C)(C)C(=O)NC[C@H]1COCC[N@@H+]1C[C@@H]1CCC(F)(F)C1 ZINC001484600588 1191434377 /nfs/dbraw/zinc/43/43/77/1191434377.db2.gz PDQFLCAEGFYEJI-KGLIPLIRSA-N 1 2 330.419 2.451 10 30 EEEELO C=CC(C)(C)C(=O)NC[C@H]1COCC[N@H+]1C[C@@H]1CCC(F)(F)C1 ZINC001484600588 1191434378 /nfs/dbraw/zinc/43/43/78/1191434378.db2.gz PDQFLCAEGFYEJI-KGLIPLIRSA-N 1 2 330.419 2.451 10 30 EEEELO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)CC1(C(F)(F)F)CC1)O2 ZINC001484784341 1191519748 /nfs/dbraw/zinc/51/97/48/1191519748.db2.gz YLZGRWVWCSCRMM-LBPRGKRZSA-N 1 2 332.366 2.255 10 30 EEEELO C=CCCC(=O)NC[C@@H]1Cc2ccccc2C[N@H+]1Cc1cnn(C)c1 ZINC001484825348 1191543080 /nfs/dbraw/zinc/54/30/80/1191543080.db2.gz ZYLGYYVCBYZIII-IBGZPJMESA-N 1 2 338.455 2.429 10 30 EEEELO C=CCCC(=O)NC[C@@H]1Cc2ccccc2C[N@@H+]1Cc1cnn(C)c1 ZINC001484825348 1191543082 /nfs/dbraw/zinc/54/30/82/1191543082.db2.gz ZYLGYYVCBYZIII-IBGZPJMESA-N 1 2 338.455 2.429 10 30 EEEELO C#CCCCCCC(=O)N[C@@H]1CC[N@@H+](Cc2cn(CC)nn2)[C@@H](C)C1 ZINC001484976718 1191593121 /nfs/dbraw/zinc/59/31/21/1191593121.db2.gz NZZJDJXTAMOVEY-DLBZAZTESA-N 1 2 345.491 2.351 10 30 EEEELO C#CCCCCCC(=O)N[C@@H]1CC[N@H+](Cc2cn(CC)nn2)[C@@H](C)C1 ZINC001484976718 1191593123 /nfs/dbraw/zinc/59/31/23/1191593123.db2.gz NZZJDJXTAMOVEY-DLBZAZTESA-N 1 2 345.491 2.351 10 30 EEEELO C=CCC1(C(=O)N[C@H]2CC[N@H+](Cc3cn(C)nn3)[C@@H](C)C2)CCCC1 ZINC001484987993 1191603694 /nfs/dbraw/zinc/60/36/94/1191603694.db2.gz NDPLKBHTTHEWFI-HOTGVXAUSA-N 1 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ZINC001486368701 1193870308 /nfs/dbraw/zinc/87/03/08/1193870308.db2.gz YLRWLDHRDXTFDT-UHFFFAOYSA-N 1 2 349.519 2.121 10 30 EEEELO CC(C)N(CC[N@@H+](C)CC(=O)NCC1CCC1)C(=O)C#CC(C)(C)C ZINC001486368701 1193870312 /nfs/dbraw/zinc/87/03/12/1193870312.db2.gz YLRWLDHRDXTFDT-UHFFFAOYSA-N 1 2 349.519 2.121 10 30 EEEELO C#CCn1cc(-c2ccc(OCC[NH+]3CCOCC3)c(C)c2)cn1 ZINC000863692052 1197817010 /nfs/dbraw/zinc/81/70/10/1197817010.db2.gz QXEMSMJWQKRAAZ-UHFFFAOYSA-N 1 2 325.412 2.203 10 30 EEEELO C#CC[C@H]1CCCN(C(=O)NC2CCN(c3cccc[nH+]3)CC2)C1 ZINC000825714330 1198819975 /nfs/dbraw/zinc/81/99/75/1198819975.db2.gz GKIBRTQWZCVBKK-INIZCTEOSA-N 1 2 326.444 2.495 10 30 EEEELO CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000880655424 1201552499 /nfs/dbraw/zinc/55/24/99/1201552499.db2.gz GJKMLKQHMNRCAW-VQIMIIECSA-N 1 2 349.438 2.054 10 30 EEEELO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1ccc(Br)c(C)c1 ZINC000884046435 1202210603 /nfs/dbraw/zinc/21/06/03/1202210603.db2.gz DSNPNBYIHHVQAD-LBPRGKRZSA-N 1 2 341.205 2.143 10 30 EEEELO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1cc(C)c(Cl)cc1OC ZINC000884047811 1202211483 /nfs/dbraw/zinc/21/14/83/1202211483.db2.gz MDFCKWSJBOZSKR-NSHDSACASA-N 1 2 326.780 2.042 10 30 EEEELO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(Cc1ccc(Cl)cc1)C1CC1 ZINC000884074768 1202225222 /nfs/dbraw/zinc/22/52/22/1202225222.db2.gz ALHXCTHMKUIHGL-HNNXBMFYSA-N 1 2 336.819 2.278 10 30 EEEELO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H](C)c1ccccc1OC(C)C ZINC000884079095 1202226487 /nfs/dbraw/zinc/22/64/87/1202226487.db2.gz HTAATTAARNPPBR-HIFRSBDPSA-N 1 2 334.416 2.098 10 30 EEEELO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C1CC1)[C@H]1CCc2ccccc21 ZINC000884098295 1202231742 /nfs/dbraw/zinc/23/17/42/1202231742.db2.gz GETLBYHOQXKUJZ-IRXDYDNUSA-N 1 2 328.412 2.112 10 30 EEEELO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1ccc2c(c1)N(CCCC)CC2 ZINC000884231823 1202271391 /nfs/dbraw/zinc/27/13/91/1202271391.db2.gz BAQMPHPXZXIWIH-INIZCTEOSA-N 1 2 345.443 2.234 10 30 EEEELO C=CCOCC(=O)N[C@H]1CC[N@@H+](CC(=C)Br)CC1(C)C 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C=CCC(C)(C)C(=O)N1CCCCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001685142503 1358309305 /nfs/dbraw/zinc/30/93/05/1358309305.db2.gz CXOCHUQPHGWKQC-MRXNPFEDSA-N 1 2 346.475 2.373 10 30 EEEELO C=C(C)CCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)Cc1c[nH]c[nH+]1)C2 ZINC001686015793 1358359200 /nfs/dbraw/zinc/35/92/00/1358359200.db2.gz AYPVFLBOPWOGTB-SIXLDLHFSA-N 1 2 344.459 2.193 10 30 EEEELO C=C(C)CCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)Cc1c[nH+]c[nH]1)C2 ZINC001686015793 1358359205 /nfs/dbraw/zinc/35/92/05/1358359205.db2.gz AYPVFLBOPWOGTB-SIXLDLHFSA-N 1 2 344.459 2.193 10 30 EEEELO C=C[C@@](C)(CC)C(=O)NC[C@@H]1CCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001688454178 1358969882 /nfs/dbraw/zinc/96/98/82/1358969882.db2.gz XWNRVRKMTRWWGH-LIRRHRJNSA-N 1 2 346.475 2.397 10 30 EEEELO COc1cc(C(=O)/C=C\c2[nH]cc[nH+]2)ccc1S(=O)(=O)C(F)F ZINC000096034901 1367636874 /nfs/dbraw/zinc/63/68/74/1367636874.db2.gz ZHKZXTJEMQSZNC-HYXAFXHYSA-N 1 2 342.323 2.311 10 30 EEEELO CC(C)(C)c1nc(C[NH2+]C2(CNC(=O)C#CC3CC3)CCCC2)no1 ZINC001698808169 1405081732 /nfs/dbraw/zinc/08/17/32/1405081732.db2.gz HGSCMWHGNQGAAF-UHFFFAOYSA-N 1 2 344.459 2.299 10 30 EEEELO C#CCCCC(=O)N1CCCC[C@@H]1CC[NH2+]Cc1noc(CC)n1 ZINC001698912513 1405154920 /nfs/dbraw/zinc/15/49/20/1405154920.db2.gz NFVITKHPALYBEV-OAHLLOKOSA-N 1 2 332.448 2.296 10 30 EEEELO Cc1ccc(NC(=O)C[N@@H+](C)CCN(C)C(=O)C#CC2CC2)cc1C ZINC001698987484 1405204710 /nfs/dbraw/zinc/20/47/10/1405204710.db2.gz SCOJTHBZUCPRKP-UHFFFAOYSA-N 1 2 341.455 2.046 10 30 EEEELO Cc1ccc(NC(=O)C[N@H+](C)CCN(C)C(=O)C#CC2CC2)cc1C ZINC001698987484 1405204720 /nfs/dbraw/zinc/20/47/20/1405204720.db2.gz SCOJTHBZUCPRKP-UHFFFAOYSA-N 1 2 341.455 2.046 10 30 EEEELO C#CCN(C(=O)c1nccs1)C1CC[NH+](Cc2nocc2C)CC1 ZINC001699785674 1405484500 /nfs/dbraw/zinc/48/45/00/1405484500.db2.gz XHDHOMYQJIUUBE-UHFFFAOYSA-N 1 2 344.440 2.180 10 30 EEEELO C=CCCOCC(=O)NC[C@@]1(C)CCC[N@@H+](Cc2nccc(C)n2)C1 ZINC001699878932 1405546203 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YRPYNHUQUPJDOC-UHFFFAOYSA-N 1 2 346.481 2.138 10 30 EEEELO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](CC(=O)NCCC(C)(C)C)C2)C1 ZINC001661020091 1354574265 /nfs/dbraw/zinc/57/42/65/1354574265.db2.gz LRTNBWKQPPTBQO-HNNXBMFYSA-N 1 2 335.492 2.086 10 30 EEEELO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](CC(=O)NCCC(C)(C)C)C2)C1 ZINC001661020091 1354574266 /nfs/dbraw/zinc/57/42/66/1354574266.db2.gz LRTNBWKQPPTBQO-HNNXBMFYSA-N 1 2 335.492 2.086 10 30 EEEELO C=C[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2noc(CC)n2)C1)c1ccccc1 ZINC001661511720 1354647612 /nfs/dbraw/zinc/64/76/12/1354647612.db2.gz SQWKNFTUENAGFK-JYJNAYRXSA-N 1 2 340.427 2.339 10 30 EEEELO C=CCOCCCC(=O)N1CCC[C@@H]([N@@H+](C)[C@@H](C)c2ncccn2)C1 ZINC001662829335 1354857129 /nfs/dbraw/zinc/85/71/29/1354857129.db2.gz YHGBFSPNMRRBOL-DLBZAZTESA-N 1 2 346.475 2.443 10 30 EEEELO C=CCOCCCC(=O)N1CCC[C@@H]([N@H+](C)[C@@H](C)c2ncccn2)C1 ZINC001662829335 1354857133 /nfs/dbraw/zinc/85/71/33/1354857133.db2.gz YHGBFSPNMRRBOL-DLBZAZTESA-N 1 2 346.475 2.443 10 30 EEEELO 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ZINC001357303456 1338978538 /nfs/dbraw/zinc/97/85/38/1338978538.db2.gz PJOIZAJEJJYQDY-LSDHHAIUSA-N 1 2 344.459 2.004 10 30 EEEELO C=C(C)C[C@H](C)C(=O)NC[C@H](NC(=O)Cc1c[nH]c[nH+]1)C1CCCC1 ZINC001358775486 1339097455 /nfs/dbraw/zinc/09/74/55/1339097455.db2.gz VQRFADXBTMSFJF-YOEHRIQHSA-N 1 2 346.475 2.346 10 30 EEEELO C[N@H+](Cc1ncc(Br)cn1)C[C@H](O)c1cccc(C#N)c1 ZINC001414043750 1339142843 /nfs/dbraw/zinc/14/28/43/1339142843.db2.gz FZEYILYZWNIEPH-AWEZNQCLSA-N 1 2 347.216 2.276 10 30 EEEELO C[N@@H+](Cc1ncc(Br)cn1)C[C@H](O)c1cccc(C#N)c1 ZINC001414043750 1339142841 /nfs/dbraw/zinc/14/28/41/1339142841.db2.gz FZEYILYZWNIEPH-AWEZNQCLSA-N 1 2 347.216 2.276 10 30 EEEELO CC(C)C#CC(=O)N[C@@H](C)C1C[NH+]([C@@H](C)C(=O)Nc2ccccc2)C1 ZINC001506618936 1342285531 /nfs/dbraw/zinc/28/55/31/1342285531.db2.gz YNQISDWHIYDPCQ-HOTGVXAUSA-N 1 2 341.455 2.110 10 30 EEEELO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)CCOCC(F)(F)F)C1 ZINC001506639469 1342299657 /nfs/dbraw/zinc/29/96/57/1342299657.db2.gz GEQKTKJTZXGHOD-JTQLQIEISA-N 1 2 328.762 2.144 10 30 EEEELO C=CC(C)(C)C(=O)N[C@H](C)C1C[NH+](CC(=O)NCCC(C)(C)C)C1 ZINC001506640546 1342299814 /nfs/dbraw/zinc/29/98/14/1342299814.db2.gz JWTBMSXCQFIVAX-CQSZACIVSA-N 1 2 337.508 2.188 10 30 EEEELO C=C[C@@H](CC)CC(=O)N[C@H](C)C1C[NH+](Cc2cncc(OC)n2)C1 ZINC001506642790 1342301267 /nfs/dbraw/zinc/30/12/67/1342301267.db2.gz GOMULEQCOJIIIJ-KGLIPLIRSA-N 1 2 332.448 2.024 10 30 EEEELO CO[C@H](C(=O)N[C@@H]1CCC[N@H+](CC#Cc2ccccc2)C1)C1CC1 ZINC001566622350 1342583513 /nfs/dbraw/zinc/58/35/13/1342583513.db2.gz WEXKAUCCHRBHMX-MOPGFXCFSA-N 1 2 326.440 2.044 10 30 EEEELO CO[C@H](C(=O)N[C@@H]1CCC[N@@H+](CC#Cc2ccccc2)C1)C1CC1 ZINC001566622350 1342583519 /nfs/dbraw/zinc/58/35/19/1342583519.db2.gz WEXKAUCCHRBHMX-MOPGFXCFSA-N 1 2 326.440 2.044 10 30 EEEELO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)CCCC ZINC001566751123 1342623443 /nfs/dbraw/zinc/62/34/43/1342623443.db2.gz JXTOSTPREKSJQS-LUKYLMHMSA-N 1 2 335.492 2.179 10 30 EEEELO C=CCNC(=O)[C@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)CCCC ZINC001566751123 1342623445 /nfs/dbraw/zinc/62/34/45/1342623445.db2.gz JXTOSTPREKSJQS-LUKYLMHMSA-N 1 2 335.492 2.179 10 30 EEEELO C=CC(C)(C)CC(=O)N1CCCC[C@@H]1C[NH2+]Cc1nc(N(C)C)no1 ZINC001566940053 1342656099 /nfs/dbraw/zinc/65/60/99/1342656099.db2.gz WPUNWEJFQNUEHW-CQSZACIVSA-N 1 2 349.479 2.209 10 30 EEEELO C#CCCCC(=O)NCC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(C)cc1F ZINC001567279390 1342732417 /nfs/dbraw/zinc/73/24/17/1342732417.db2.gz UDOMBRQCLKKARF-OAHLLOKOSA-N 1 2 347.434 2.313 10 30 EEEELO C#CCCCC(=O)NCC[N@H+](C)[C@H](C)C(=O)Nc1ccc(C)cc1F ZINC001567279390 1342732418 /nfs/dbraw/zinc/73/24/18/1342732418.db2.gz UDOMBRQCLKKARF-OAHLLOKOSA-N 1 2 347.434 2.313 10 30 EEEELO C#CCC1(C(=O)NCC[N@@H+](C)Cc2ccc(OC)nn2)CCCCC1 ZINC001567322004 1342739709 /nfs/dbraw/zinc/73/97/09/1342739709.db2.gz MZFKZEYWCVCJBR-UHFFFAOYSA-N 1 2 344.459 2.007 10 30 EEEELO C#CCC1(C(=O)NCC[N@H+](C)Cc2ccc(OC)nn2)CCCCC1 ZINC001567322004 1342739714 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ZINC001572036108 1343366726 /nfs/dbraw/zinc/36/67/26/1343366726.db2.gz FQKCNUMLSJYNRP-CVEARBPZSA-N 1 2 344.459 2.080 10 30 EEEELO C=CC(C)(C)CC(=O)N[C@H]1C[C@H](CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001572053751 1343373736 /nfs/dbraw/zinc/37/37/36/1343373736.db2.gz DDLGSLQFQWLLSK-RBSFLKMASA-N 1 2 346.475 2.202 10 30 EEEELO C=CC(C)(C)CC(=O)N[C@H]1C[C@H](CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001572053751 1343373739 /nfs/dbraw/zinc/37/37/39/1343373739.db2.gz DDLGSLQFQWLLSK-RBSFLKMASA-N 1 2 346.475 2.202 10 30 EEEELO C=C(C)CCC(=O)NC[C@H](NC(=O)Cn1cc[nH+]c1)C1CCCCC1 ZINC001582871279 1344814322 /nfs/dbraw/zinc/81/43/22/1344814322.db2.gz XJHCWSZJGDGWRP-KRWDZBQOSA-N 1 2 346.475 2.421 10 30 EEEELO C=C(C)CCC(=O)N[C@@H]1CCC[C@@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001582977477 1344852424 /nfs/dbraw/zinc/85/24/24/1344852424.db2.gz WYNRJDFXOUHNKW-HZPDHXFCSA-N 1 2 332.448 2.031 10 30 EEEELO C=CCCO[C@@H](C)C(=O)NCC1=CC[N@@H+]([C@@H](C)c2nc(C)no2)CC1 ZINC001677542786 1357350058 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C[C@@H]1CN(c2ccc(CNC(=O)c3ccc(C#N)o3)c[nH+]2)C[C@H](C)O1 ZINC000428175160 467210250 /nfs/dbraw/zinc/21/02/50/467210250.db2.gz HCZXBLXFBSUUPC-BETUJISGSA-N 1 2 340.383 2.090 10 30 EEEELO COC(=O)c1sccc1C[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000428807177 467271043 /nfs/dbraw/zinc/27/10/43/467271043.db2.gz QIVVGPZVQXFMGO-CQSZACIVSA-N 1 2 343.408 2.455 10 30 EEEELO COC(=O)c1sccc1C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000428807177 467271048 /nfs/dbraw/zinc/27/10/48/467271048.db2.gz QIVVGPZVQXFMGO-CQSZACIVSA-N 1 2 343.408 2.455 10 30 EEEELO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@]23CCOC3)c1 ZINC000421032256 467530070 /nfs/dbraw/zinc/53/00/70/467530070.db2.gz LNCJBYDFJBGGFU-LJQANCHMSA-N 1 2 327.428 2.415 10 30 EEEELO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CC[C@]23CCOC3)c1 ZINC000421032256 467530074 /nfs/dbraw/zinc/53/00/74/467530074.db2.gz LNCJBYDFJBGGFU-LJQANCHMSA-N 1 2 327.428 2.415 10 30 EEEELO CN(C)c1[nH+]cccc1CNC(=O)[C@H](C#N)Cc1ccc(C#N)cc1 ZINC000471744039 467973131 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/nfs/dbraw/zinc/83/16/82/1258831682.db2.gz VSLCMYKMRAIHRR-CJNGLKHVSA-N 1 2 338.883 2.322 10 30 EEEELO CCCCCCC[NH+]1CC2(C1)CN(C(=O)c1ccc(C)nn1)CCO2 ZINC001273619178 1281447198 /nfs/dbraw/zinc/44/71/98/1281447198.db2.gz YPEJLNFPBULJNZ-UHFFFAOYSA-N 1 2 346.475 2.282 10 30 EEEELO C=C1CCC(C(=O)NC[C@H]2CCC3(C[NH+](CCOCC)C3)O2)CC1 ZINC001273669644 1282840301 /nfs/dbraw/zinc/84/03/01/1282840301.db2.gz WGHJJZPSGGONEA-QGZVFWFLSA-N 1 2 336.476 2.119 10 30 EEEELO C=CC(C)(C)C(=O)N(C)[C@@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)C1CC1 ZINC001487670955 1286306417 /nfs/dbraw/zinc/30/64/17/1286306417.db2.gz IHVDSPOQMWFTMM-HOCLYGCPSA-N 1 2 346.475 2.400 10 30 EEEELO C=CCCCC(=O)N1CC[C@H]1CN(C)C(=O)c1cccc2[nH+]ccn21 ZINC001489761648 1290732632 /nfs/dbraw/zinc/73/26/32/1290732632.db2.gz QGFPXYHEUQXDSK-HNNXBMFYSA-N 1 2 340.427 2.364 10 30 EEEELO C[N@@H+](CC#Cc1ccccc1)CCCNC(=O)C(F)C(F)(F)F ZINC001490198105 1291032386 /nfs/dbraw/zinc/03/23/86/1291032386.db2.gz CWKWLOMQLSTJMX-CQSZACIVSA-N 1 2 330.325 2.377 10 30 EEEELO C[N@H+](CC#Cc1ccccc1)CCCNC(=O)C(F)C(F)(F)F ZINC001490198105 1291032397 /nfs/dbraw/zinc/03/23/97/1291032397.db2.gz CWKWLOMQLSTJMX-CQSZACIVSA-N 1 2 330.325 2.377 10 30 EEEELO C[N@@H+](CC#Cc1ccccc1)CCCNC(=O)[C@@H](F)C(F)(F)F ZINC001490198105 1291032406 /nfs/dbraw/zinc/03/24/06/1291032406.db2.gz CWKWLOMQLSTJMX-CQSZACIVSA-N 1 2 330.325 2.377 10 30 EEEELO C[N@H+](CC#Cc1ccccc1)CCCNC(=O)[C@@H](F)C(F)(F)F ZINC001490198105 1291032417 /nfs/dbraw/zinc/03/24/17/1291032417.db2.gz CWKWLOMQLSTJMX-CQSZACIVSA-N 1 2 330.325 2.377 10 30 EEEELO C[C@H](C#N)C(=O)NCCCN1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC001490466630 1291354337 /nfs/dbraw/zinc/35/43/37/1291354337.db2.gz SZOQTZMBPJFOIV-CVEARBPZSA-N 1 2 346.450 2.170 10 30 EEEELO C=C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2cnc(C)cn2)C1)c1ccccc1 ZINC001490579466 1291475418 /nfs/dbraw/zinc/47/54/18/1291475418.db2.gz RBLQHDKYNZBNNK-HKUYNNGSSA-N 1 2 336.439 2.445 10 30 EEEELO C=C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2cnc(C)cn2)C1)c1ccccc1 ZINC001490579466 1291475425 /nfs/dbraw/zinc/47/54/25/1291475425.db2.gz RBLQHDKYNZBNNK-HKUYNNGSSA-N 1 2 336.439 2.445 10 30 EEEELO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000855298880 1293160723 /nfs/dbraw/zinc/16/07/23/1293160723.db2.gz FGIJJBFTZZJGCV-CLCXKQKWSA-N 1 2 335.411 2.003 10 30 EEEELO C=C[C@](C)(CC)C(=O)NC[C@@H](C)CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001746625922 1298163384 /nfs/dbraw/zinc/16/33/84/1298163384.db2.gz UVZTUSNDZLPVOV-IFXJQAMLSA-N 1 2 348.491 2.397 10 30 EEEELO C#CCN(C(=O)CCC(=C)C)C1CC[NH+]([C@H](C)c2nncn2C)CC1 ZINC001278157659 1306134830 /nfs/dbraw/zinc/13/48/30/1306134830.db2.gz RKFFMLCGUKLWBO-MRXNPFEDSA-N 1 2 343.475 2.159 10 30 EEEELO CC(C)C#CC(=O)N1CC[C@@H]([NH2+]Cc2noc(-c3ccoc3)n2)[C@H]1C ZINC001278252434 1308916589 /nfs/dbraw/zinc/91/65/89/1308916589.db2.gz VRZCIZOMUHAUKP-UKRRQHHQSA-N 1 2 342.399 2.068 10 30 EEEELO C=C(C)CCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cn(CC)nn1 ZINC001278310513 1309285985 /nfs/dbraw/zinc/28/59/85/1309285985.db2.gz YWBHFUVJVPPBKC-SJORKVTESA-N 1 2 331.464 2.220 10 30 EEEELO C=C(C)CCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cn(CC)nn1 ZINC001278310513 1309285990 /nfs/dbraw/zinc/28/59/90/1309285990.db2.gz YWBHFUVJVPPBKC-SJORKVTESA-N 1 2 331.464 2.220 10 30 EEEELO C=CCn1c([C@H]2C[C@@H](O)C[N@@H+]2C)nnc1N(CC)C1CCCCC1 ZINC001121610146 1310068575 /nfs/dbraw/zinc/06/85/75/1310068575.db2.gz QILSZUWOLAVPFD-HZPDHXFCSA-N 1 2 333.480 2.361 10 30 EEEELO C=CCn1c([C@H]2C[C@@H](O)C[N@H+]2C)nnc1N(CC)C1CCCCC1 ZINC001121610146 1310068580 /nfs/dbraw/zinc/06/85/80/1310068580.db2.gz QILSZUWOLAVPFD-HZPDHXFCSA-N 1 2 333.480 2.361 10 30 EEEELO C=CCOCC[N@H+]1CCC[C@H](NC(=O)c2n[nH]c3ccccc32)[C@@H]1C ZINC001278526552 1317144605 /nfs/dbraw/zinc/14/46/05/1317144605.db2.gz LAEOKVZUAWLBQC-HOCLYGCPSA-N 1 2 342.443 2.348 10 30 EEEELO C=CCOCC[N@@H+]1CCC[C@H](NC(=O)c2n[nH]c3ccccc32)[C@@H]1C ZINC001278526552 1317144610 /nfs/dbraw/zinc/14/46/10/1317144610.db2.gz LAEOKVZUAWLBQC-HOCLYGCPSA-N 1 2 342.443 2.348 10 30 EEEELO C=CCC(C)(C)C(=O)N1CC[C@H](N(C)C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001293661520 1328774673 /nfs/dbraw/zinc/77/46/73/1328774673.db2.gz OLGPWENGWKPHFX-CVEARBPZSA-N 1 2 346.475 2.496 10 30 EEEELO C=C[C@H](CC)CC(=O)NCCCN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001294259163 1328949901 /nfs/dbraw/zinc/94/99/01/1328949901.db2.gz YDCMXLOYNWBIEK-HZPDHXFCSA-N 1 2 346.475 2.013 10 30 EEEELO C=CCCC(=O)N1CCCC[C@H]1[C@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001294360756 1328986416 /nfs/dbraw/zinc/98/64/16/1328986416.db2.gz VWESIBGLEIKSNT-HOTGVXAUSA-N 1 2 346.475 2.205 10 30 EEEELO C=CCn1c([C@@H]2C[C@@H](O)C[N@H+]2C)nnc1N1CCCC(C)(C)CC1 ZINC001262947733 1322402196 /nfs/dbraw/zinc/40/21/96/1322402196.db2.gz SDLSTQSCUJOAIA-CABCVRRESA-N 1 2 333.480 2.218 10 30 EEEELO C=CCn1c([C@@H]2C[C@@H](O)C[N@@H+]2C)nnc1N1CCCC(C)(C)CC1 ZINC001262947733 1322402198 /nfs/dbraw/zinc/40/21/98/1322402198.db2.gz SDLSTQSCUJOAIA-CABCVRRESA-N 1 2 333.480 2.218 10 30 EEEELO C=CCn1c(N2CCC[C@](C)(CC)C2)nnc1[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001262988472 1322416883 /nfs/dbraw/zinc/41/68/83/1322416883.db2.gz TVZSKRXTFWMBFE-AYOQOUSVSA-N 1 2 347.507 2.392 10 30 EEEELO C=CCn1c(N2CCC[C@](C)(CC)C2)nnc1[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC001262988472 1322416885 /nfs/dbraw/zinc/41/68/85/1322416885.db2.gz TVZSKRXTFWMBFE-AYOQOUSVSA-N 1 2 347.507 2.392 10 30 EEEELO COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1Cc2ccc(Cl)cc21 ZINC001263818721 1322525981 /nfs/dbraw/zinc/52/59/81/1322525981.db2.gz DGGPXLNQGBRKMS-WMZOPIPTSA-N 1 2 346.858 2.162 10 30 EEEELO COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1Cc2ccc(Cl)cc21 ZINC001263818721 1322525984 /nfs/dbraw/zinc/52/59/84/1322525984.db2.gz DGGPXLNQGBRKMS-WMZOPIPTSA-N 1 2 346.858 2.162 10 30 EEEELO C#CCCCC(=O)N[C@H]1CC[N@H+](Cc2nc(-c3ccoc3)no2)[C@@H]1C ZINC001264698794 1322787419 /nfs/dbraw/zinc/78/74/19/1322787419.db2.gz SDNYAYIVKAKGHE-HIFRSBDPSA-N 1 2 342.399 2.212 10 30 EEEELO C#CCCCC(=O)N[C@H]1CC[N@@H+](Cc2nc(-c3ccoc3)no2)[C@@H]1C ZINC001264698794 1322787425 /nfs/dbraw/zinc/78/74/25/1322787425.db2.gz SDNYAYIVKAKGHE-HIFRSBDPSA-N 1 2 342.399 2.212 10 30 EEEELO C#CC[NH2+]Cc1nc2c(s1)CCN(C(=O)c1c[nH]cc1C1CC1)C2 ZINC001264749896 1322803942 /nfs/dbraw/zinc/80/39/42/1322803942.db2.gz NLYUENGDADPUPI-UHFFFAOYSA-N 1 2 340.452 2.270 10 30 EEEELO C=C(Br)C[N@@H+](C)CCCNC(=O)c1cccnc1OC ZINC001265030940 1322874042 /nfs/dbraw/zinc/87/40/42/1322874042.db2.gz QIEVLLHXPYPGJA-UHFFFAOYSA-N 1 2 342.237 2.051 10 30 EEEELO C=C(Br)C[N@H+](C)CCCNC(=O)c1cccnc1OC ZINC001265030940 1322874045 /nfs/dbraw/zinc/87/40/45/1322874045.db2.gz QIEVLLHXPYPGJA-UHFFFAOYSA-N 1 2 342.237 2.051 10 30 EEEELO C=C(C)C(C)(C)C(=O)N[C@H]1CCC[N@H+](CC(=O)NCC(C)(C)C)C1 ZINC001265220458 1322992358 /nfs/dbraw/zinc/99/23/58/1322992358.db2.gz LXAQFFPCFVQOGK-HNNXBMFYSA-N 1 2 337.508 2.332 10 30 EEEELO C=C(C)C(C)(C)C(=O)N[C@H]1CCC[N@@H+](CC(=O)NCC(C)(C)C)C1 ZINC001265220458 1322992362 /nfs/dbraw/zinc/99/23/62/1322992362.db2.gz LXAQFFPCFVQOGK-HNNXBMFYSA-N 1 2 337.508 2.332 10 30 EEEELO C=C[C@@](C)(CC)C(=O)N[C@H]1CCC[N@H+](Cc2cncc(OC)n2)C1 ZINC001265224575 1322994970 /nfs/dbraw/zinc/99/49/70/1322994970.db2.gz GENMKUAYTKRMOO-KSSFIOAISA-N 1 2 332.448 2.168 10 30 EEEELO C=C[C@@](C)(CC)C(=O)N[C@H]1CCC[N@@H+](Cc2cncc(OC)n2)C1 ZINC001265224575 1322994972 /nfs/dbraw/zinc/99/49/72/1322994972.db2.gz GENMKUAYTKRMOO-KSSFIOAISA-N 1 2 332.448 2.168 10 30 EEEELO C=C[C@](C)(CC)C(=O)N[C@H]1CCC[N@H+](CC(=O)NCC2CCC2)C1 ZINC001265225305 1322995246 /nfs/dbraw/zinc/99/52/46/1322995246.db2.gz VHRVMRHAWKTMHR-QFBILLFUSA-N 1 2 335.492 2.086 10 30 EEEELO C=C[C@](C)(CC)C(=O)N[C@H]1CCC[N@@H+](CC(=O)NCC2CCC2)C1 ZINC001265225305 1322995249 /nfs/dbraw/zinc/99/52/49/1322995249.db2.gz VHRVMRHAWKTMHR-QFBILLFUSA-N 1 2 335.492 2.086 10 30 EEEELO C=C[C@H](CC)CC(=O)N[C@@H]1CC12CC[NH+](Cc1nc(C)no1)CC2 ZINC001265332417 1323081232 /nfs/dbraw/zinc/08/12/32/1323081232.db2.gz UACCSAAWWCPIAJ-HUUCEWRRSA-N 1 2 332.448 2.451 10 30 EEEELO COCC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CCCC1(F)F ZINC001265411002 1323139364 /nfs/dbraw/zinc/13/93/64/1323139364.db2.gz BCCGCSJXSGTIKB-HRCADAONSA-N 1 2 340.414 2.137 10 30 EEEELO COCC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CCCC1(F)F ZINC001265411002 1323139371 /nfs/dbraw/zinc/13/93/71/1323139371.db2.gz BCCGCSJXSGTIKB-HRCADAONSA-N 1 2 340.414 2.137 10 30 EEEELO C#Cc1cccc(NC(=O)C[N@H+]2CCCC[C@H]2CNC(=O)CCC)c1 ZINC001265639567 1323288484 /nfs/dbraw/zinc/28/84/84/1323288484.db2.gz ZBVPJROMEGQQDF-SFHVURJKSA-N 1 2 341.455 2.377 10 30 EEEELO C#Cc1cccc(NC(=O)C[N@@H+]2CCCC[C@H]2CNC(=O)CCC)c1 ZINC001265639567 1323288489 /nfs/dbraw/zinc/28/84/89/1323288489.db2.gz ZBVPJROMEGQQDF-SFHVURJKSA-N 1 2 341.455 2.377 10 30 EEEELO C=C[C@H](CC)CC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cnnn1CC ZINC001265650661 1323296258 /nfs/dbraw/zinc/29/62/58/1323296258.db2.gz CECCHRBBYHIGCN-CVEARBPZSA-N 1 2 333.480 2.371 10 30 EEEELO C=C[C@H](CC)CC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cnnn1CC ZINC001265650661 1323296265 /nfs/dbraw/zinc/29/62/65/1323296265.db2.gz CECCHRBBYHIGCN-CVEARBPZSA-N 1 2 333.480 2.371 10 30 EEEELO 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HVSXRFVBQLEEOL-GFCCVEGCSA-N 1 2 330.338 2.220 10 30 EEEELO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCC(c2n[nH]c(CC)n2)CC1 ZINC000190673084 464700221 /nfs/dbraw/zinc/70/02/21/464700221.db2.gz YQNXHNZHKIGBOW-CQSZACIVSA-N 1 2 333.480 2.360 10 30 EEEELO CC(C)(C)[C@@H]1CC[N@@H+]([C@H]2CCN(c3sccc3C#N)C2=O)C[C@H]1O ZINC000298877340 465531388 /nfs/dbraw/zinc/53/13/88/465531388.db2.gz JXWRCLMOTVHSOC-QLFBSQMISA-N 1 2 347.484 2.454 10 30 EEEELO CC(C)(C)[C@@H]1CC[N@H+]([C@H]2CCN(c3sccc3C#N)C2=O)C[C@H]1O ZINC000298877340 465531391 /nfs/dbraw/zinc/53/13/91/465531391.db2.gz JXWRCLMOTVHSOC-QLFBSQMISA-N 1 2 347.484 2.454 10 30 EEEELO CN(C)S(=O)(=O)[C@H]1CCC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC000352543216 465538332 /nfs/dbraw/zinc/53/83/32/465538332.db2.gz BLMBPYQZFKYKBC-HNNXBMFYSA-N 1 2 340.876 2.047 10 30 EEEELO CN(C)S(=O)(=O)[C@H]1CCC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC000352543216 465538336 /nfs/dbraw/zinc/53/83/36/465538336.db2.gz BLMBPYQZFKYKBC-HNNXBMFYSA-N 1 2 340.876 2.047 10 30 EEEELO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000330201466 465566857 /nfs/dbraw/zinc/56/68/57/465566857.db2.gz XVJLHIKSTXBHGP-INIZCTEOSA-N 1 2 342.447 2.303 10 30 EEEELO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)NCc1cn2c(n1)CCCC2 ZINC000330201466 465566862 /nfs/dbraw/zinc/56/68/62/465566862.db2.gz XVJLHIKSTXBHGP-INIZCTEOSA-N 1 2 342.447 2.303 10 30 EEEELO COc1cc(C(=O)NCC(C)(C)[NH+]2CCOCC2)cc(Cl)c1O ZINC000330642616 465743048 /nfs/dbraw/zinc/74/30/48/465743048.db2.gz FASRWEVFABLHLD-UHFFFAOYSA-N 1 2 342.823 2.470 10 30 EEEELO N#CCCN(Cc1cccnc1)C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000357111470 465782226 /nfs/dbraw/zinc/78/22/26/465782226.db2.gz QHWGGEUMXDHXKA-UHFFFAOYSA-N 1 2 332.367 2.218 10 30 EEEELO N#Cc1ccc(NC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)cc1F ZINC000353536908 465962806 /nfs/dbraw/zinc/96/28/06/465962806.db2.gz CUYXDINGTWWKSR-INIZCTEOSA-N 1 2 346.406 2.416 10 30 EEEELO C[C@H](C#N)CN(C(=O)c1cccc(C[NH+]2CCOCC2)c1)C1CC1 ZINC000338306528 466008370 /nfs/dbraw/zinc/00/83/70/466008370.db2.gz WGKNHOJOHOVXIQ-OAHLLOKOSA-N 1 2 327.428 2.283 10 30 EEEELO C[C@@H]([NH2+][C@@H](Cc1ccccc1)c1ncco1)C(=O)N(C)CCC#N ZINC000594054595 468473773 /nfs/dbraw/zinc/47/37/73/468473773.db2.gz IJLVKQZUFUIYLT-ZBFHGGJFSA-N 1 2 326.400 2.309 10 30 EEEELO Cc1nn(C)c(N2CC[NH+](CCc3cccc(F)c3F)CC2)c1C#N ZINC000349892419 466295420 /nfs/dbraw/zinc/29/54/20/466295420.db2.gz MUGVTYUNIDOCFP-UHFFFAOYSA-N 1 2 345.397 2.243 10 30 EEEELO C#CCOc1cc(F)ccc1NC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000377811984 467144258 /nfs/dbraw/zinc/14/42/58/467144258.db2.gz RFNWQJWEJNQNNC-GFCCVEGCSA-N 1 2 328.347 2.240 10 30 EEEELO C#CCOc1cc(F)ccc1NC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000377811984 467144259 /nfs/dbraw/zinc/14/42/59/467144259.db2.gz RFNWQJWEJNQNNC-GFCCVEGCSA-N 1 2 328.347 2.240 10 30 EEEELO N#Cc1cc(NCc2ccnc(-n3cc[nH+]c3)c2)cc(N)c1[N+](=O)[O-] ZINC000378035185 467184742 /nfs/dbraw/zinc/18/47/42/467184742.db2.gz GNODCJNMFZSXJB-UHFFFAOYSA-N 1 2 335.327 2.241 10 30 EEEELO Cc1cc(N2CCN(c3cc[nH+]c(C)n3)CC2)c(C#N)cc1[N+](=O)[O-] ZINC000413228557 467193593 /nfs/dbraw/zinc/19/35/93/467193593.db2.gz JEMCGPCKBLWSMW-UHFFFAOYSA-N 1 2 338.371 2.200 10 30 EEEELO N#Cc1cccc(S(=O)(=O)CC[NH+]2CCC3(CC3(F)F)CC2)c1 ZINC000404717787 467477389 /nfs/dbraw/zinc/47/73/89/467477389.db2.gz RPBOXPKJYMEBSG-UHFFFAOYSA-N 1 2 340.395 2.453 10 30 EEEELO CS(=O)(=O)NC[C@@H]1CCCC[N@@H+]1CC#Cc1ccccc1Cl ZINC000441168301 467571785 /nfs/dbraw/zinc/57/17/85/467571785.db2.gz IZKAXJCQRDPQLN-HNNXBMFYSA-N 1 2 340.876 2.095 10 30 EEEELO CS(=O)(=O)NC[C@@H]1CCCC[N@H+]1CC#Cc1ccccc1Cl ZINC000441168301 467571787 /nfs/dbraw/zinc/57/17/87/467571787.db2.gz IZKAXJCQRDPQLN-HNNXBMFYSA-N 1 2 340.876 2.095 10 30 EEEELO Cn1c(C#N)ccc1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000450319513 467825881 /nfs/dbraw/zinc/82/58/81/467825881.db2.gz YZANKYGEVXJKNZ-WBVHZDCISA-N 1 2 344.365 2.350 10 30 EEEELO Cn1c(C#N)ccc1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000450319513 467825885 /nfs/dbraw/zinc/82/58/85/467825885.db2.gz YZANKYGEVXJKNZ-WBVHZDCISA-N 1 2 344.365 2.350 10 30 EEEELO C/C=C/c1ccc(OCC(=O)N[C@@](C)(C#N)C[NH+](C)C)c(OC)c1 ZINC000516230109 468019938 /nfs/dbraw/zinc/01/99/38/468019938.db2.gz LGAIXJAQQXLIGC-DKFQHHCZSA-N 1 2 331.416 2.067 10 30 EEEELO CC(C)CC[N@H+](CCC#N)[C@H]1CCN(CC(=O)OC(C)(C)C)C1=O ZINC000595347262 468819135 /nfs/dbraw/zinc/81/91/35/468819135.db2.gz PHHJZHXLULIXHU-HNNXBMFYSA-N 1 2 337.464 2.191 10 30 EEEELO CC(C)CC[N@@H+](CCC#N)[C@H]1CCN(CC(=O)OC(C)(C)C)C1=O ZINC000595347262 468819140 /nfs/dbraw/zinc/81/91/40/468819140.db2.gz PHHJZHXLULIXHU-HNNXBMFYSA-N 1 2 337.464 2.191 10 30 EEEELO CN1CC[N@H+](Cc2ccccc2)[C@H](CNC(=O)CCCCCC#N)C1 ZINC000598501055 468889937 /nfs/dbraw/zinc/88/99/37/468889937.db2.gz BPIBNPGCKVVGEW-LJQANCHMSA-N 1 2 342.487 2.393 10 30 EEEELO CN1CC[N@@H+](Cc2ccccc2)[C@H](CNC(=O)CCCCCC#N)C1 ZINC000598501055 468889941 /nfs/dbraw/zinc/88/99/41/468889941.db2.gz BPIBNPGCKVVGEW-LJQANCHMSA-N 1 2 342.487 2.393 10 30 EEEELO Cc1cc(C#N)ccc1C[N@@H+]1C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C1 ZINC000595635297 468932623 /nfs/dbraw/zinc/93/26/23/468932623.db2.gz GKIVYKRYCNIINN-KBPBESRZSA-N 1 2 346.374 2.274 10 30 EEEELO Cc1cc(C#N)ccc1C[N@H+]1C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C1 ZINC000595635297 468932626 /nfs/dbraw/zinc/93/26/26/468932626.db2.gz GKIVYKRYCNIINN-KBPBESRZSA-N 1 2 346.374 2.274 10 30 EEEELO N#Cc1csc(C[NH+]2CCN(c3ccc(F)cc3C(N)=O)CC2)c1 ZINC000598676800 468956495 /nfs/dbraw/zinc/95/64/95/468956495.db2.gz KXWYSCZCLSDTHE-UHFFFAOYSA-N 1 2 344.415 2.180 10 30 EEEELO CC(C)NC(=O)[C@H]1CCC[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000595851345 469043817 /nfs/dbraw/zinc/04/38/17/469043817.db2.gz RHWQPCHMYUBGQV-AWEZNQCLSA-N 1 2 330.388 2.203 10 30 EEEELO CC(C)NC(=O)[C@H]1CCC[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000595851345 469043825 /nfs/dbraw/zinc/04/38/25/469043825.db2.gz RHWQPCHMYUBGQV-AWEZNQCLSA-N 1 2 330.388 2.203 10 30 EEEELO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@]1(C)C(=O)OC(C)(C)C ZINC000599495000 469276294 /nfs/dbraw/zinc/27/62/94/469276294.db2.gz MPLZJPHPIOORIF-KSSFIOAISA-N 1 2 337.464 2.191 10 30 EEEELO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@@]1(C)C(=O)OC(C)(C)C ZINC000599495000 469276299 /nfs/dbraw/zinc/27/62/99/469276299.db2.gz MPLZJPHPIOORIF-KSSFIOAISA-N 1 2 337.464 2.191 10 30 EEEELO N#CCc1cccc2c1CC[N@@H+]([C@@H]1CCN(CC(F)(F)F)C1=O)C2 ZINC000599679075 469335598 /nfs/dbraw/zinc/33/55/98/469335598.db2.gz OVIWMMFUVCNVRR-OAHLLOKOSA-N 1 2 337.345 2.274 10 30 EEEELO N#CCc1cccc2c1CC[N@H+]([C@@H]1CCN(CC(F)(F)F)C1=O)C2 ZINC000599679075 469335601 /nfs/dbraw/zinc/33/56/01/469335601.db2.gz OVIWMMFUVCNVRR-OAHLLOKOSA-N 1 2 337.345 2.274 10 30 EEEELO C=CCNC(=O)[C@H](C)[NH+]1CCN(c2cc(OC)ccc2Cl)CC1 ZINC000649648842 470652465 /nfs/dbraw/zinc/65/24/65/470652465.db2.gz LXYZFZVNDKLENR-ZDUSSCGKSA-N 1 2 337.851 2.161 10 30 EEEELO C=CCOCCCNC(=O)N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000666521638 471434473 /nfs/dbraw/zinc/43/44/73/471434473.db2.gz AAVILPIPRJDKIH-UHFFFAOYSA-N 1 2 347.459 2.115 10 30 EEEELO C=CC[C@H]1CCCC[C@H]1NC(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000665394921 472033326 /nfs/dbraw/zinc/03/33/26/472033326.db2.gz XJNXVNSORYTRAL-DLBZAZTESA-N 1 2 345.491 2.382 10 30 EEEELO C=CCCC1(CNC(=O)C(=O)N[C@@H](C)Cn2cc[nH+]c2)CCCC1 ZINC000668569889 472178834 /nfs/dbraw/zinc/17/88/34/472178834.db2.gz IQGCOWFPNDDVNM-HNNXBMFYSA-N 1 2 332.448 2.031 10 30 EEEELO C=CC[C@H](CO)CNC(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000678780383 485500959 /nfs/dbraw/zinc/50/09/59/485500959.db2.gz KSZXQUZPRQTLPE-RDJZCZTQSA-N 1 2 342.443 2.188 10 30 EEEELO C=CCOCCNC(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000679503973 485716728 /nfs/dbraw/zinc/71/67/28/485716728.db2.gz NIRFHQXAVLTWBB-INIZCTEOSA-N 1 2 328.416 2.206 10 30 EEEELO C=CCn1c(C)nn(C[N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)c1=S ZINC000732190499 577155132 /nfs/dbraw/zinc/15/51/32/577155132.db2.gz ISNKALYUECMDKX-OAHLLOKOSA-N 1 2 349.504 2.200 10 30 EEEELO C=CCn1c(C)nn(C[N@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)c1=S ZINC000732190499 577155135 /nfs/dbraw/zinc/15/51/35/577155135.db2.gz ISNKALYUECMDKX-OAHLLOKOSA-N 1 2 349.504 2.200 10 30 EEEELO C[C@H](OC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)c1cccc(C#N)c1 ZINC000923776557 680051723 /nfs/dbraw/zinc/05/17/23/680051723.db2.gz HVGLMGRORXLTKT-QGTPRVQTSA-N 1 2 344.411 2.042 10 30 EEEELO C#CC[NH+]1CCC(Nc2ccc(S(=O)(=O)C(C)(C)C)nc2)CC1 ZINC000895809513 684727829 /nfs/dbraw/zinc/72/78/29/684727829.db2.gz XYMOYGVXJFCDOR-UHFFFAOYSA-N 1 2 335.473 2.163 10 30 EEEELO C=C[C@H](C(=O)N[C@@H]1CCC[N@@H+](CC(=O)NC(C)C)C1)c1ccccc1 ZINC001266252278 1176029177 /nfs/dbraw/zinc/02/91/77/1176029177.db2.gz QNPTWIODFKFVMF-MSOLQXFVSA-N 1 2 343.471 2.061 10 30 EEEELO C=C[C@H](C(=O)N[C@@H]1CCC[N@H+](CC(=O)NC(C)C)C1)c1ccccc1 ZINC001266252278 1176029186 /nfs/dbraw/zinc/02/91/86/1176029186.db2.gz QNPTWIODFKFVMF-MSOLQXFVSA-N 1 2 343.471 2.061 10 30 EEEELO C=CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCCC2(C)C)C1 ZINC001266252617 1176030524 /nfs/dbraw/zinc/03/05/24/1176030524.db2.gz XNPWHEAAAULKLI-JKSUJKDBSA-N 1 2 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CCC(=CC(=O)N1CCC2(CC1)C[N@@H+](CC#CCOC)CCO2)CC ZINC001274867494 1205196128 /nfs/dbraw/zinc/19/61/28/1205196128.db2.gz ICWGYQFZSKVRCU-UHFFFAOYSA-N 1 2 348.487 2.076 10 30 EEEELO C=CCC1(C(=O)N2CCC[C@@H]2C[N@@H+](C)Cc2cn(C)nn2)CCCC1 ZINC001275177812 1205274138 /nfs/dbraw/zinc/27/41/38/1205274138.db2.gz WSVXHYRELOPSFG-QGZVFWFLSA-N 1 2 345.491 2.374 10 30 EEEELO C=CCC1(C(=O)N2CCC[C@@H]2C[N@H+](C)Cc2cn(C)nn2)CCCC1 ZINC001275177812 1205274140 /nfs/dbraw/zinc/27/41/40/1205274140.db2.gz WSVXHYRELOPSFG-QGZVFWFLSA-N 1 2 345.491 2.374 10 30 EEEELO C[NH+](C)Cc1csc(CNC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)n1 ZINC000927763245 1206299287 /nfs/dbraw/zinc/29/92/87/1206299287.db2.gz AMJZKAYUTWSAJI-JKSUJKDBSA-N 1 2 340.452 2.496 10 30 EEEELO C[C@H](Oc1ccccc1C#N)C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000927771557 1206301238 /nfs/dbraw/zinc/30/12/38/1206301238.db2.gz MMNGJTAKQIQTPI-LBPRGKRZSA-N 1 2 344.440 2.160 10 30 EEEELO C=CCCC[C@H](NC(=O)[C@H]1CCC[N@@H+]1Cc1ccccn1)C(=O)OC ZINC000928316515 1206372297 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325.352 2.419 10 30 EEEELO C=C(C)C[N@@H+](CC[S@@](=O)C(F)(F)F)Cc1ccc(CO)o1 ZINC000930455792 1206559170 /nfs/dbraw/zinc/55/91/70/1206559170.db2.gz OKVQVELDAZUBGV-OAQYLSRUSA-N 1 2 325.352 2.419 10 30 EEEELO CC1(C#N)CC[NH+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000779878571 1211604774 /nfs/dbraw/zinc/60/47/74/1211604774.db2.gz BDLAMZRRUQTXMV-UHFFFAOYSA-N 1 2 326.360 2.436 10 30 EEEELO C=CCCC(=O)N1CCC[C@@H]([N@H+](CCO)CC(=C)Br)C1 ZINC001689202762 1253005936 /nfs/dbraw/zinc/00/59/36/1253005936.db2.gz WLWKKVUDAREKAO-CQSZACIVSA-N 1 2 345.281 2.147 10 30 EEEELO C=CCCC(=O)N1CCC[C@@H]([N@@H+](CCO)CC(=C)Br)C1 ZINC001689202762 1253005946 /nfs/dbraw/zinc/00/59/46/1253005946.db2.gz WLWKKVUDAREKAO-CQSZACIVSA-N 1 2 345.281 2.147 10 30 EEEELO C#CCCCC(=O)NC[C@H]1CCC[N@@H+](Cc2nnc(C)n2CCC)C1 ZINC001491102629 1258676634 /nfs/dbraw/zinc/67/66/34/1258676634.db2.gz POCOMVHGQNNKPG-QGZVFWFLSA-N 1 2 345.491 2.128 10 30 EEEELO C#CCCCC(=O)NC[C@H]1CCC[N@H+](Cc2nnc(C)n2CCC)C1 ZINC001491102629 1258676641 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C=CCOCC(=O)N[C@@H]1CC[N@@H+](Cc2cc(F)ccc2Cl)C1 ZINC001490529721 1291405184 /nfs/dbraw/zinc/40/51/84/1291405184.db2.gz KTAKWSMSVNUYOB-CQSZACIVSA-N 1 2 326.799 2.372 10 30 EEEELO C=CCOCC(=O)N[C@@H]1CC[N@H+](Cc2cc(F)ccc2Cl)C1 ZINC001490529721 1291405189 /nfs/dbraw/zinc/40/51/89/1291405189.db2.gz KTAKWSMSVNUYOB-CQSZACIVSA-N 1 2 326.799 2.372 10 30 EEEELO C=C[C@@H](CC(=O)N[C@H]1CC[N@@H+](CC(=O)NCCC)C1)c1ccccc1 ZINC001490579129 1291473657 /nfs/dbraw/zinc/47/36/57/1291473657.db2.gz IYZWIGBMPUDWKS-WMZOPIPTSA-N 1 2 343.471 2.063 10 30 EEEELO C=C[C@@H](CC(=O)N[C@H]1CC[N@H+](CC(=O)NCCC)C1)c1ccccc1 ZINC001490579129 1291473664 /nfs/dbraw/zinc/47/36/64/1291473664.db2.gz IYZWIGBMPUDWKS-WMZOPIPTSA-N 1 2 343.471 2.063 10 30 EEEELO C=CCC1(C(=O)NC[C@@H](C)CNC(=O)Cc2c[nH]c[nH+]2)CCCCC1 ZINC001746618802 1296752103 /nfs/dbraw/zinc/75/21/03/1296752103.db2.gz UBFCWVOLHGEZAE-HNNXBMFYSA-N 1 2 346.475 2.347 10 30 EEEELO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCCCC(=O)NC ZINC001277369511 1302697930 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C=CCOCCCC(=O)N[C@H]1C[N@H+](Cc2coc(C)n2)CC1(C)C ZINC001276569050 1324558897 /nfs/dbraw/zinc/55/88/97/1324558897.db2.gz GCRICVOAVSTXSF-INIZCTEOSA-N 1 2 335.448 2.292 10 30 EEEELO C=C[C@@](C)(CC)C(=O)N1CCC[C@@](CO)([NH2+]Cc2ncc(CC)o2)C1 ZINC001281163709 1324810833 /nfs/dbraw/zinc/81/08/33/1324810833.db2.gz PUGGEPLSDWIHSO-RBUKOAKNSA-N 1 2 349.475 2.282 10 30 EEEELO C=CCCC(=O)NC[C@@H]1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001281233073 1324907257 /nfs/dbraw/zinc/90/72/57/1324907257.db2.gz LNKPGXPQLSKZRF-CVEARBPZSA-N 1 2 346.475 2.294 10 30 EEEELO CC(C)C#CC(=O)N(C)CCN(C(=O)CCCn1cc[nH+]c1)C(C)C ZINC001281290985 1324938860 /nfs/dbraw/zinc/93/88/60/1324938860.db2.gz GFUBXVORMYFIIM-UHFFFAOYSA-N 1 2 346.475 2.018 10 30 EEEELO C=CC(C)(C)C(=O)N[C@H](C)C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001281330468 1324969249 /nfs/dbraw/zinc/96/92/49/1324969249.db2.gz ASUZCRFBIQHPEN-CQSZACIVSA-N 1 2 346.475 2.298 10 30 EEEELO C=CC(C)(C)C(=O)N[C@H](C)C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001281330468 1324969253 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EEEELO C#CC[NH+]1CCN(C(=O)Nc2ccc(-c3nccc(C)n3)cc2)CC1 ZINC000095446542 218390646 /nfs/dbraw/zinc/39/06/46/218390646.db2.gz FPLGAJOVYWCORV-UHFFFAOYSA-N 1 2 335.411 2.235 10 30 EEEELO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCO[C@@H](c2nccs2)C1 ZINC000103478878 159277522 /nfs/dbraw/zinc/27/75/22/159277522.db2.gz QORZFSUUVCLKSM-OAHLLOKOSA-N 1 2 342.424 2.417 10 30 EEEELO N#Cc1ccccc1NC(=O)CC[N@H+]1CCO[C@@H](c2nccs2)C1 ZINC000103478878 159277524 /nfs/dbraw/zinc/27/75/24/159277524.db2.gz QORZFSUUVCLKSM-OAHLLOKOSA-N 1 2 342.424 2.417 10 30 EEEELO CC(=O)N[C@H]1Cc2ccccc2N(Cc2c[nH+]c3ccc(C#N)cn23)C1 ZINC000367983411 166031031 /nfs/dbraw/zinc/03/10/31/166031031.db2.gz JCRHNYVZAPANPB-KRWDZBQOSA-N 1 2 345.406 2.273 10 30 EEEELO CC(C)c1nc(C[N@H+](C)[C@@H]2CCN(c3ccncc3C#N)C2)no1 ZINC000364323948 165097795 /nfs/dbraw/zinc/09/77/95/165097795.db2.gz KEJYQCSGKKQVLU-CQSZACIVSA-N 1 2 326.404 2.170 10 30 EEEELO CC(C)c1nc(C[N@@H+](C)[C@@H]2CCN(c3ccncc3C#N)C2)no1 ZINC000364323948 165097798 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C=CCCc1ccccc1NC(=O)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000354767960 465141140 /nfs/dbraw/zinc/14/11/40/465141140.db2.gz JTPNPRMLWGXKDZ-CQSZACIVSA-N 1 2 338.411 2.141 10 30 EEEELO C=CCCc1ccccc1NC(=O)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000354767960 465141145 /nfs/dbraw/zinc/14/11/45/465141145.db2.gz JTPNPRMLWGXKDZ-CQSZACIVSA-N 1 2 338.411 2.141 10 30 EEEELO CCCc1[nH+]c2ccccc2n1CCC(=O)N1CCOC[C@H]1C#N ZINC000354882867 465208368 /nfs/dbraw/zinc/20/83/68/465208368.db2.gz TVVDUTCEGWWQOY-CQSZACIVSA-N 1 2 326.400 2.130 10 30 EEEELO N#C[C@H](C(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F)c1ccncn1 ZINC000490945280 468273402 /nfs/dbraw/zinc/27/34/02/468273402.db2.gz YUVZHIXFYVAELV-NSHDSACASA-N 1 2 340.293 2.485 10 30 EEEELO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H]2c2ccc[nH]2)c1 ZINC000156878193 463077134 /nfs/dbraw/zinc/07/71/34/463077134.db2.gz XQFJPKFYGSRSPG-QGZVFWFLSA-N 1 2 329.425 2.497 10 30 EEEELO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCC[C@@H]2c2ccc[nH]2)c1 ZINC000156878193 463077137 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CN1CC[NH+]([C@H]2CCCCN(c3ncc(C#N)cc3Cl)C2)CC1 ZINC000127024546 463677512 /nfs/dbraw/zinc/67/75/12/463677512.db2.gz LPIXPNGOKQYCKW-HNNXBMFYSA-N 1 2 333.867 2.213 10 30 EEEELO N#CCOc1ccccc1C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000194124337 463795412 /nfs/dbraw/zinc/79/54/12/463795412.db2.gz CJPHVNFDFWQKNP-UHFFFAOYSA-N 1 2 333.351 2.100 10 30 EEEELO N#Cc1cccc(OC2CC[NH+](CC(=O)Nc3ccncc3)CC2)c1 ZINC000171610907 463891614 /nfs/dbraw/zinc/89/16/14/463891614.db2.gz SBLQCYHRWNWESZ-UHFFFAOYSA-N 1 2 336.395 2.435 10 30 EEEELO N#Cc1cnc(N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)c(Cl)c1 ZINC000172151013 464001849 /nfs/dbraw/zinc/00/18/49/464001849.db2.gz QLZOZCXEEDDKJA-QGZVFWFLSA-N 1 2 342.830 2.462 10 30 EEEELO CC(C)(C#N)c1ccc(NC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)cc1 ZINC000173796163 464316374 /nfs/dbraw/zinc/31/63/74/464316374.db2.gz OSKSLZOFLLDXOF-KRWDZBQOSA-N 1 2 342.443 2.426 10 30 EEEELO C[N@@H+]1CC[C@@H](NC(=O)C2(C#N)CCOCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000245680590 464505780 /nfs/dbraw/zinc/50/57/80/464505780.db2.gz MNGGPLACGZQHGO-HZPDHXFCSA-N 1 2 349.381 2.147 10 30 EEEELO C[N@H+]1CC[C@@H](NC(=O)C2(C#N)CCOCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000245680590 464505783 /nfs/dbraw/zinc/50/57/83/464505783.db2.gz MNGGPLACGZQHGO-HZPDHXFCSA-N 1 2 349.381 2.147 10 30 EEEELO Cn1cc[nH+]c1CN1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000348320571 465549402 /nfs/dbraw/zinc/54/94/02/465549402.db2.gz NRIQPJXBXKPNIA-MRXNPFEDSA-N 1 2 329.835 2.456 10 30 EEEELO O=C(NC1CCN(c2cccc[nH+]2)CC1)c1cc2n(n1)CCCO2 ZINC000330349325 465624625 /nfs/dbraw/zinc/62/46/25/465624625.db2.gz JSXKGZLIHYLUFP-UHFFFAOYSA-N 1 2 327.388 2.034 10 30 EEEELO N#CC1(CS(=O)(=O)NC2CCN(c3cccc[nH+]3)CC2)CCCC1 ZINC000353411052 465863822 /nfs/dbraw/zinc/86/38/22/465863822.db2.gz JGLCISBMNBFTFI-UHFFFAOYSA-N 1 2 348.472 2.054 10 30 EEEELO C[C@@H](NC(=O)NCc1[nH+]ccn1CC(F)(F)F)C1CCOCC1 ZINC000331026866 465903856 /nfs/dbraw/zinc/90/38/56/465903856.db2.gz PRCYBBBIWRJFDM-SNVBAGLBSA-N 1 2 334.342 2.264 10 30 EEEELO CN(CCOCc1ccc(C#N)cc1)C(=O)c1ccc2[nH+]ccn2c1 ZINC000346197816 465982361 /nfs/dbraw/zinc/98/23/61/465982361.db2.gz JHJIZKNQQTWWET-UHFFFAOYSA-N 1 2 334.379 2.495 10 30 EEEELO C[C@@](C#N)(NC(=O)C[NH2+][C@H](Cc1ccccc1)c1ncco1)C1CC1 ZINC000594057004 468474608 /nfs/dbraw/zinc/47/46/08/468474608.db2.gz XOBFQKPIOIKCQG-APWZRJJASA-N 1 2 338.411 2.356 10 30 EEEELO C[C@@H]1C[N@H+](CC(=O)N(CCC#N)CCC#N)CC2(CCCCC2)O1 ZINC000594059686 468475582 /nfs/dbraw/zinc/47/55/82/468475582.db2.gz YEYVIBBSXZAHBL-MRXNPFEDSA-N 1 2 332.448 2.066 10 30 EEEELO C[C@@H]1C[N@@H+](CC(=O)N(CCC#N)CCC#N)CC2(CCCCC2)O1 ZINC000594059686 468475588 /nfs/dbraw/zinc/47/55/88/468475588.db2.gz YEYVIBBSXZAHBL-MRXNPFEDSA-N 1 2 332.448 2.066 10 30 EEEELO CCNC(=O)COc1ccc(C[N@H+](C[C@H](C)C#N)C2CC2)cc1OC ZINC000354033015 466334216 /nfs/dbraw/zinc/33/42/16/466334216.db2.gz HBHATKWLGHCVLW-CQSZACIVSA-N 1 2 345.443 2.334 10 30 EEEELO CCNC(=O)COc1ccc(C[N@@H+](C[C@H](C)C#N)C2CC2)cc1OC ZINC000354033015 466334217 /nfs/dbraw/zinc/33/42/17/466334217.db2.gz HBHATKWLGHCVLW-CQSZACIVSA-N 1 2 345.443 2.334 10 30 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C=CCC(C)(C)C(=O)N(C)[C@@H](C)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001571842644 1343318555 /nfs/dbraw/zinc/31/85/55/1343318555.db2.gz CZZXTNXSBOOXOQ-LSDHHAIUSA-N 1 2 346.475 2.011 10 30 EEEELO C=C1CC(C)(C(=O)N(C)[C@H](C)CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001571845973 1343320023 /nfs/dbraw/zinc/32/00/23/1343320023.db2.gz SZRGOBMGWZEQJN-CYBMUJFWSA-N 1 2 340.427 2.496 10 30 EEEELO C=CC(C)(C)CC(=O)N1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)[C@@H]1C ZINC001572369324 1343465552 /nfs/dbraw/zinc/46/55/52/1343465552.db2.gz CHHKZTPCMQVXPJ-ZFWWWQNUSA-N 1 2 332.448 2.050 10 30 EEEELO C=CC(C)(C)CC(=O)N1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)[C@@H]1C ZINC001572369324 1343465555 /nfs/dbraw/zinc/46/55/55/1343465555.db2.gz CHHKZTPCMQVXPJ-ZFWWWQNUSA-N 1 2 332.448 2.050 10 30 EEEELO C=C[C@](C)(CC)C(=O)NC[C@H]1CC[C@@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001573196177 1343617481 /nfs/dbraw/zinc/61/74/81/1343617481.db2.gz LROSPQDEEGBYQM-QMTMVMCOSA-N 1 2 346.475 2.346 10 30 EEEELO C=C[C@@H](CC)CC(=O)N(C)C[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001573635039 1343647302 /nfs/dbraw/zinc/64/73/02/1343647302.db2.gz HUBQZEXXELOBTN-RDJZCZTQSA-N 1 2 346.475 2.394 10 30 EEEELO C=C[C@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1cnsn1)c1ccccc1 ZINC001676481476 1357155926 /nfs/dbraw/zinc/15/59/26/1357155926.db2.gz SFHXOYKOVHQOAT-BBRMVZONSA-N 1 2 330.457 2.444 10 30 EEEELO C=CCCCC(=O)N1CCC[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC[C@H]21 ZINC001578748886 1344300100 /nfs/dbraw/zinc/30/01/00/1344300100.db2.gz PSMJHPCTNPGQGM-DOTOQJQBSA-N 1 2 344.459 2.148 10 30 EEEELO C=CC(C)(C)C(=O)N1CC[C@@H](N(CC)C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001582348133 1344740613 /nfs/dbraw/zinc/74/06/13/1344740613.db2.gz YWCZKSZSCQFLIS-GOEBONIOSA-N 1 2 346.475 2.250 10 30 EEEELO C=CC(C)(C)C(=O)N1CC[C@@H](N(CC)C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001582348133 1344740616 /nfs/dbraw/zinc/74/06/16/1344740616.db2.gz YWCZKSZSCQFLIS-GOEBONIOSA-N 1 2 346.475 2.250 10 30 EEEELO C=C(C)CCC(=O)N[C@H]1CCC[N@@H+](Cc2cncc(OC)n2)[C@@H]1C ZINC001676871643 1357226075 /nfs/dbraw/zinc/22/60/75/1357226075.db2.gz BWGVTPNPHIPTHC-ZBFHGGJFSA-N 1 2 332.448 2.311 10 30 EEEELO C=C(C)CCC(=O)N[C@H]1CCC[N@H+](Cc2cncc(OC)n2)[C@@H]1C ZINC001676871643 1357226081 /nfs/dbraw/zinc/22/60/81/1357226081.db2.gz BWGVTPNPHIPTHC-ZBFHGGJFSA-N 1 2 332.448 2.311 10 30 EEEELO C=CCOc1c(Cl)cc(C[NH2+][C@H](C)c2nnnn2C)cc1OC ZINC001621095388 1352363387 /nfs/dbraw/zinc/36/33/87/1352363387.db2.gz HDGAMXISNPJHGA-SNVBAGLBSA-N 1 2 337.811 2.288 10 30 EEEELO C=CCOCCCNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC001628352618 1352531391 /nfs/dbraw/zinc/53/13/91/1352531391.db2.gz JLSIVGDRMKZMPY-UHFFFAOYSA-N 1 2 328.416 2.323 10 30 EEEELO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)C1(CC(C)C)CCC1 ZINC001656077793 1354196262 /nfs/dbraw/zinc/19/62/62/1354196262.db2.gz NNOFGKNAZOWHHO-SJORKVTESA-N 1 2 349.519 2.426 10 30 EEEELO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)C1(CC(C)C)CCC1 ZINC001656077793 1354196263 /nfs/dbraw/zinc/19/62/63/1354196263.db2.gz 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COCC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(F)c1C ZINC001661254412 1354617554 /nfs/dbraw/zinc/61/75/54/1354617554.db2.gz GFTZKRIFNXKJSS-IYBDPMFKSA-N 1 2 330.403 2.073 10 30 EEEELO C=CCC1(C(=O)N[C@@H](C)[C@H]2CCC[N@H+](Cc3nncn3C)C2)CCC1 ZINC001662012638 1354742259 /nfs/dbraw/zinc/74/22/59/1354742259.db2.gz WCRPUNAMZJJXRA-HOTGVXAUSA-N 1 2 345.491 2.278 10 30 EEEELO C=CCC1(C(=O)N[C@@H](C)[C@H]2CCC[N@@H+](Cc3nncn3C)C2)CCC1 ZINC001662012638 1354742264 /nfs/dbraw/zinc/74/22/64/1354742264.db2.gz WCRPUNAMZJJXRA-HOTGVXAUSA-N 1 2 345.491 2.278 10 30 EEEELO CCc1nnc([C@@H](C)[N@H+](C)[C@H]2CCCN(C(=O)C#CC(C)C)C2)[nH]1 ZINC001662839657 1354860603 /nfs/dbraw/zinc/86/06/03/1354860603.db2.gz VWJMFRFEBGISCC-CABCVRRESA-N 1 2 331.464 2.010 10 30 EEEELO CCc1nnc([C@@H](C)[N@@H+](C)[C@H]2CCCN(C(=O)C#CC(C)C)C2)[nH]1 ZINC001662839657 1354860610 /nfs/dbraw/zinc/86/06/10/1354860610.db2.gz VWJMFRFEBGISCC-CABCVRRESA-N 1 2 331.464 2.010 10 30 EEEELO C#CCCCCCC(=O)N1CCC[C@@H]([N@@H+](C)[C@H](C)c2nncn2C)C1 ZINC001662856759 1354867103 /nfs/dbraw/zinc/86/71/03/1354867103.db2.gz STNIXNLVLNSAGU-IAGOWNOFSA-N 1 2 345.491 2.383 10 30 EEEELO C#CCCCCCC(=O)N1CCC[C@@H]([N@H+](C)[C@H](C)c2nncn2C)C1 ZINC001662856759 1354867106 /nfs/dbraw/zinc/86/71/06/1354867106.db2.gz STNIXNLVLNSAGU-IAGOWNOFSA-N 1 2 345.491 2.383 10 30 EEEELO C=CCNC(=O)C[N@H+](C)CCNC(=O)c1oc2c(cccc2C)c1C ZINC001663339467 1354950401 /nfs/dbraw/zinc/95/04/01/1354950401.db2.gz LITVNVIJYOTTMR-UHFFFAOYSA-N 1 2 343.427 2.013 10 30 EEEELO C=CCNC(=O)C[N@@H+](C)CCNC(=O)c1oc2c(cccc2C)c1C ZINC001663339467 1354950403 /nfs/dbraw/zinc/95/04/03/1354950403.db2.gz LITVNVIJYOTTMR-UHFFFAOYSA-N 1 2 343.427 2.013 10 30 EEEELO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)c2c(CC)cccc2CC)C1 ZINC001664135266 1355099663 /nfs/dbraw/zinc/09/96/63/1355099663.db2.gz KTAFKGKVIVNQBX-KRWDZBQOSA-N 1 2 334.485 2.187 10 30 EEEELO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2c(CC)cccc2CC)C1 ZINC001664135266 1355099672 /nfs/dbraw/zinc/09/96/72/1355099672.db2.gz KTAFKGKVIVNQBX-KRWDZBQOSA-N 1 2 334.485 2.187 10 30 EEEELO Cc1nccnc1C[NH2+][C@@H](CNC(=O)C#CC1CC1)c1ccccc1 ZINC001664578995 1355196085 /nfs/dbraw/zinc/19/60/85/1355196085.db2.gz WJHATIZEGMFJCQ-IBGZPJMESA-N 1 2 334.423 2.146 10 30 EEEELO CCCOCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C#N)c(F)c1 ZINC001664608685 1355200123 /nfs/dbraw/zinc/20/01/23/1355200123.db2.gz MWGYVKNCXJJSQH-CALCHBBNSA-N 1 2 345.418 2.299 10 30 EEEELO CCCOCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)c(F)c1 ZINC001664608685 1355200128 /nfs/dbraw/zinc/20/01/28/1355200128.db2.gz MWGYVKNCXJJSQH-CALCHBBNSA-N 1 2 345.418 2.299 10 30 EEEELO C=C[C@](C)(O)CC(=O)NCC1C[NH+](Cc2cc(F)ccc2Cl)C1 ZINC001665275698 1355287192 /nfs/dbraw/zinc/28/71/92/1355287192.db2.gz YMNZJTCAOOEHEO-KRWDZBQOSA-N 1 2 340.826 2.354 10 30 EEEELO C=CCOCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnc(CC(C)C)s1 ZINC001665433059 1355308853 /nfs/dbraw/zinc/30/88/53/1355308853.db2.gz RCVHNIMBENNKFL-GJZGRUSLSA-N 1 2 349.500 2.443 10 30 EEEELO C=CCOCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnc(CC(C)C)s1 ZINC001665433059 1355308855 /nfs/dbraw/zinc/30/88/55/1355308855.db2.gz RCVHNIMBENNKFL-GJZGRUSLSA-N 1 2 349.500 2.443 10 30 EEEELO C=CCC(C)(C)C(=O)N(C)[C@@H]1CC[N@H+](Cc2cc3n(n2)CCC3)C1 ZINC001665671169 1355354543 /nfs/dbraw/zinc/35/45/43/1355354543.db2.gz XBCAJVKBPDJKJR-QGZVFWFLSA-N 1 2 330.476 2.464 10 30 EEEELO C=CCC(C)(C)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cc3n(n2)CCC3)C1 ZINC001665671169 1355354551 /nfs/dbraw/zinc/35/45/51/1355354551.db2.gz XBCAJVKBPDJKJR-QGZVFWFLSA-N 1 2 330.476 2.464 10 30 EEEELO C=C[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](Cc2nccn2C)C1)c1ccccc1 ZINC001665686206 1355358963 /nfs/dbraw/zinc/35/89/63/1355358963.db2.gz FSMDLAMECLMGSG-QZTJIDSGSA-N 1 2 338.455 2.423 10 30 EEEELO C=C[C@@H](C(=O)N(C)[C@@H]1CC[N@@H+](Cc2nccn2C)C1)c1ccccc1 ZINC001665686206 1355358966 /nfs/dbraw/zinc/35/89/66/1355358966.db2.gz FSMDLAMECLMGSG-QZTJIDSGSA-N 1 2 338.455 2.423 10 30 EEEELO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)Cc2cccc3cnccc32)C1 ZINC001666707297 1355571926 /nfs/dbraw/zinc/57/19/26/1355571926.db2.gz CDDYJTSCDGPSDM-SFHVURJKSA-N 1 2 339.439 2.170 10 30 EEEELO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)Cc2cccc3cnccc32)C1 ZINC001666707297 1355571928 /nfs/dbraw/zinc/57/19/28/1355571928.db2.gz CDDYJTSCDGPSDM-SFHVURJKSA-N 1 2 339.439 2.170 10 30 EEEELO CC(C)C#CC(=O)N1CCCC[C@H]1CC[NH2+]Cc1noc(C2CC2)n1 ZINC001667252815 1355688686 /nfs/dbraw/zinc/68/86/86/1355688686.db2.gz GUJUFLOTWDMIQM-INIZCTEOSA-N 1 2 344.459 2.467 10 30 EEEELO C[C@@H](CC[NH2+]Cc1cccc(C#N)c1)NC(=O)C(F)C(F)(F)F ZINC001668064903 1355860314 /nfs/dbraw/zinc/86/03/14/1355860314.db2.gz DRRZJOUNGASLBM-GXFFZTMASA-N 1 2 331.313 2.443 10 30 EEEELO C[C@@H](CC[NH2+]Cc1cccc(C#N)c1)NC(=O)[C@@H](F)C(F)(F)F ZINC001668064903 1355860316 /nfs/dbraw/zinc/86/03/16/1355860316.db2.gz DRRZJOUNGASLBM-GXFFZTMASA-N 1 2 331.313 2.443 10 30 EEEELO C#Cc1ccc(C(=O)NC/C=C/C[NH2+][C@@H](C)c2csnn2)cc1 ZINC001668967357 1356057327 /nfs/dbraw/zinc/05/73/27/1356057327.db2.gz SNOHBIDEMIKOEK-IHVVCDCBSA-N 1 2 326.425 2.156 10 30 EEEELO C#CCCCCCC(=O)NC1(C)CC[NH+]([C@H](C)c2nncn2C)CC1 ZINC001671423085 1356337018 /nfs/dbraw/zinc/33/70/18/1356337018.db2.gz IYVGLTFYBOJCBG-MRXNPFEDSA-N 1 2 345.491 2.431 10 30 EEEELO C#CCN(C(=O)C#CC(C)C)C1CC[NH+]([C@@H](C)c2ncccn2)CC1 ZINC001671474606 1356345938 /nfs/dbraw/zinc/34/59/38/1356345938.db2.gz XTLKTEWNSGXTNO-KRWDZBQOSA-N 1 2 338.455 2.123 10 30 EEEELO C=CCCC(=O)N[C@]1(C)CC[N@@H+](CC(=O)NCc2sccc2C)C1 ZINC001671620547 1356375502 /nfs/dbraw/zinc/37/55/02/1356375502.db2.gz OMSDKBOTJYJPMG-GOSISDBHSA-N 1 2 349.500 2.220 10 30 EEEELO C=CCCC(=O)N[C@]1(C)CC[N@H+](CC(=O)NCc2sccc2C)C1 ZINC001671620547 1356375505 /nfs/dbraw/zinc/37/55/05/1356375505.db2.gz OMSDKBOTJYJPMG-GOSISDBHSA-N 1 2 349.500 2.220 10 30 EEEELO CC#CCCCC(=O)NC[C@]1(C)CCC[N@H+](Cc2nnc(C)[nH]2)C1 ZINC001671900538 1356434896 /nfs/dbraw/zinc/43/48/96/1356434896.db2.gz CAWNNRRGCZZSCU-SFHVURJKSA-N 1 2 331.464 2.025 10 30 EEEELO CC#CCCCC(=O)NC[C@]1(C)CCC[N@@H+](Cc2nnc(C)[nH]2)C1 ZINC001671900538 1356434899 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344.459 2.147 10 30 EEEELO C=CC(C)(C)CC(=O)NC1CC(N(C)C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001681211346 1357963710 /nfs/dbraw/zinc/96/37/10/1357963710.db2.gz HFVOCNPRDGBZCL-VQCLRJIVSA-N 1 2 346.475 2.296 10 30 EEEELO C=CC(C)(C)CC(=O)NC1CC(N(C)C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001681211346 1357963719 /nfs/dbraw/zinc/96/37/19/1357963719.db2.gz HFVOCNPRDGBZCL-VQCLRJIVSA-N 1 2 346.475 2.296 10 30 EEEELO C=CCC(C)(C)C(=O)N[C@H]1CC[C@H](C)N(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001681475032 1358008508 /nfs/dbraw/zinc/00/85/08/1358008508.db2.gz HCOPHTZGOWCWCD-ZFWWWQNUSA-N 1 2 346.475 2.359 10 30 EEEELO C=C[C@H](CC)CC(=O)N1CC[C@@H]1CN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001684116972 1358231388 /nfs/dbraw/zinc/23/13/88/1358231388.db2.gz ZJVGHPCWYFIMHX-GDBMZVCRSA-N 1 2 332.448 2.004 10 30 EEEELO C=C[C@H](CC)CC(=O)N1CC[C@@H]1CN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001684116972 1358231393 /nfs/dbraw/zinc/23/13/93/1358231393.db2.gz ZJVGHPCWYFIMHX-GDBMZVCRSA-N 1 2 332.448 2.004 10 30 EEEELO 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1405449478 /nfs/dbraw/zinc/44/94/78/1405449478.db2.gz YXODBSPFJFKXFF-SFHVURJKSA-N 1 2 346.500 2.465 10 30 EEEELO C#CCCCC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1nnc(C)s1)C2 ZINC001699694014 1405449483 /nfs/dbraw/zinc/44/94/83/1405449483.db2.gz YXODBSPFJFKXFF-SFHVURJKSA-N 1 2 346.500 2.465 10 30 EEEELO C=CCCC(=O)NC[C@@]1(C)CCC[N@@H+]([C@H](C)c2nnnn2C2CC2)C1 ZINC001699870599 1405535186 /nfs/dbraw/zinc/53/51/86/1405535186.db2.gz JFRYETWJPQXRIK-RDTXWAMCSA-N 1 2 346.479 2.254 10 30 EEEELO C=CCCC(=O)NC[C@@]1(C)CCC[N@H+]([C@H](C)c2nnnn2C2CC2)C1 ZINC001699870599 1405535191 /nfs/dbraw/zinc/53/51/91/1405535191.db2.gz JFRYETWJPQXRIK-RDTXWAMCSA-N 1 2 346.479 2.254 10 30 EEEELO C=C1CC(C)(C(=O)N2C[C@H](C)[C@H]([NH2+]Cc3nc(C(F)F)no3)C2)C1 ZINC000939102706 775466063 /nfs/dbraw/zinc/46/60/63/775466063.db2.gz KCMFLSWOIIPKTA-WDEREUQCSA-N 1 2 340.374 2.300 10 30 EEEELO N#CC1(C[C@H](O)C[NH+]2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CCC1 ZINC000905950864 783606881 /nfs/dbraw/zinc/60/68/81/783606881.db2.gz 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C=C(Br)C[N@@H+](C)CCCNC(=O)c1nn(C)cc1Cl ZINC001566455742 1125614590 /nfs/dbraw/zinc/61/45/90/1125614590.db2.gz GYMLPICJXVDIAY-UHFFFAOYSA-N 1 2 349.660 2.034 10 30 EEEELO C=C(Br)C[N@H+](C)CCCNC(=O)c1nn(C)cc1Cl ZINC001566455742 1125614594 /nfs/dbraw/zinc/61/45/94/1125614594.db2.gz GYMLPICJXVDIAY-UHFFFAOYSA-N 1 2 349.660 2.034 10 30 EEEELO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)Cc1cnccc1OC ZINC001437031116 1088853335 /nfs/dbraw/zinc/85/33/35/1088853335.db2.gz GEXWGROKIKHQAL-OAHLLOKOSA-N 1 2 337.851 2.356 10 30 EEEELO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)Cc1cnccc1OC ZINC001437031116 1088853354 /nfs/dbraw/zinc/85/33/54/1088853354.db2.gz GEXWGROKIKHQAL-OAHLLOKOSA-N 1 2 337.851 2.356 10 30 EEEELO C[C@H](C[NH2+]Cc1ccc(OCC#N)cc1)NC(=O)C(F)C(F)(F)F ZINC001439113714 1091758727 /nfs/dbraw/zinc/75/87/27/1091758727.db2.gz QGFJLOVGPBZICZ-MFKMUULPSA-N 1 2 347.312 2.084 10 30 EEEELO C[C@H](C[NH2+]Cc1ccc(OCC#N)cc1)NC(=O)[C@H](F)C(F)(F)F ZINC001439113714 1091758730 /nfs/dbraw/zinc/75/87/30/1091758730.db2.gz 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C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@H](C)NC(=O)C1CCCC1 ZINC001442779221 1097154343 /nfs/dbraw/zinc/15/43/43/1097154343.db2.gz DTTADCMUJXWEDS-ZFWWWQNUSA-N 1 2 341.883 2.014 10 30 EEEELO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H](C)NC(=O)C1CCCC1 ZINC001442779221 1097154348 /nfs/dbraw/zinc/15/43/48/1097154348.db2.gz DTTADCMUJXWEDS-ZFWWWQNUSA-N 1 2 341.883 2.014 10 30 EEEELO C[C@@H]1CO[C@H](C(=O)NCC[N@H+](Cc2cc(F)ccc2C#N)C2CC2)C1 ZINC001443027172 1097434522 /nfs/dbraw/zinc/43/45/22/1097434522.db2.gz CODSYTJCCSGDHF-UGSOOPFHSA-N 1 2 345.418 2.203 10 30 EEEELO C[C@@H]1CO[C@H](C(=O)NCC[N@@H+](Cc2cc(F)ccc2C#N)C2CC2)C1 ZINC001443027172 1097434526 /nfs/dbraw/zinc/43/45/26/1097434526.db2.gz CODSYTJCCSGDHF-UGSOOPFHSA-N 1 2 345.418 2.203 10 30 EEEELO C#CCCCCC(=O)N[C@H]1CC[N@@H+](Cc2ncnn2C)CC(C)(C)C1 ZINC001479745466 1098877105 /nfs/dbraw/zinc/87/71/05/1098877105.db2.gz LEDMXXCSWXFCMR-INIZCTEOSA-N 1 2 345.491 2.116 10 30 EEEELO C#CCCCCC(=O)N[C@H]1CC[N@H+](Cc2ncnn2C)CC(C)(C)C1 ZINC001479745466 1098877115 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334.489 2.258 10 30 EEEELO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(CCCCC)n[nH]1 ZINC001480100543 1099666465 /nfs/dbraw/zinc/66/64/65/1099666465.db2.gz LUDVZAPANCASBH-CALCHBBNSA-N 1 2 328.460 2.455 10 30 EEEELO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(CCCCC)n[nH]1 ZINC001480100543 1099666472 /nfs/dbraw/zinc/66/64/72/1099666472.db2.gz LUDVZAPANCASBH-CALCHBBNSA-N 1 2 328.460 2.455 10 30 EEEELO COc1ccc(C[N@@H+]2CCCC[C@@H]2CNC(=O)C#CC(C)(C)C)nn1 ZINC001480316944 1100052658 /nfs/dbraw/zinc/05/26/58/1100052658.db2.gz KXWAQBCTMVYKRT-MRXNPFEDSA-N 1 2 344.459 2.005 10 30 EEEELO COc1ccc(C[N@H+]2CCCC[C@@H]2CNC(=O)C#CC(C)(C)C)nn1 ZINC001480316944 1100052667 /nfs/dbraw/zinc/05/26/67/1100052667.db2.gz KXWAQBCTMVYKRT-MRXNPFEDSA-N 1 2 344.459 2.005 10 30 EEEELO C=C(C)C[C@H](C)C(=O)N(C)[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001495402913 1101122925 /nfs/dbraw/zinc/12/29/25/1101122925.db2.gz FMTFVYRXTYBMJY-GOEBONIOSA-N 1 2 332.448 2.004 10 30 EEEELO C=C(Cl)C[NH2+]C1(CNC(=O)c2cccc3nc[nH]c32)CCOCC1 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C=CCCOCC(=O)NC[C@@H]1C[N@H+](CC2CCC2)CCC1(F)F ZINC001271110159 1185893046 /nfs/dbraw/zinc/89/30/46/1185893046.db2.gz RAPGYFXASBYHNK-OAHLLOKOSA-N 1 2 330.419 2.453 10 30 EEEELO C=C(C)C[NH+]1CC(O)(CNC(=O)[C@H](c2ccc(F)cc2)C(C)C)C1 ZINC001271393318 1186182538 /nfs/dbraw/zinc/18/25/38/1186182538.db2.gz LJVLAKGPVBWBRM-KRWDZBQOSA-N 1 2 334.435 2.304 10 30 EEEELO CC#CCCCC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1nnc(C)o1 ZINC001691834578 1186885861 /nfs/dbraw/zinc/88/58/61/1186885861.db2.gz NYPBVAOVYQOJIT-ZBFHGGJFSA-N 1 2 332.448 2.288 10 30 EEEELO C=CCCCC(=O)N[C@@H](CC)CNC(=O)c1cccc2[nH+]ccn21 ZINC001746175949 1187595703 /nfs/dbraw/zinc/59/57/03/1187595703.db2.gz XHGKMGYXQLNOIH-AWEZNQCLSA-N 1 2 328.416 2.315 10 30 EEEELO CC(C)(C)c1cc(C[NH2+]C/C=C\CNC(=O)c2cc(C#N)c[nH]2)no1 ZINC001482995623 1187975588 /nfs/dbraw/zinc/97/55/88/1187975588.db2.gz UWGHINHKPDIQFL-PLNGDYQASA-N 1 2 341.415 2.248 10 30 EEEELO C=C[C@H](CC(=O)N(C)CC[NH2+]Cc1nncs1)c1ccccc1 ZINC001691615963 1188317817 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ZINC001484018426 1191157715 /nfs/dbraw/zinc/15/77/15/1191157715.db2.gz YZDMPWZZJPCLKG-BBWFWOEESA-N 1 2 345.491 2.466 10 30 EEEELO C=C[C@@H](CC)CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ncnn1CC ZINC001484018426 1191157718 /nfs/dbraw/zinc/15/77/18/1191157718.db2.gz YZDMPWZZJPCLKG-BBWFWOEESA-N 1 2 345.491 2.466 10 30 EEEELO C=C(C)C(C)(C)C(=O)NCC1(O)C[NH+]([C@@H]2CCc3ccccc32)C1 ZINC001484286932 1191294287 /nfs/dbraw/zinc/29/42/87/1191294287.db2.gz CJBJOWCTZHQNSG-QGZVFWFLSA-N 1 2 328.456 2.439 10 30 EEEELO C=CCCCCC[NH+]1CC2(C1)CN(C(=O)c1conc1C)CCO2 ZINC001484777868 1191516826 /nfs/dbraw/zinc/51/68/26/1191516826.db2.gz XRMZWSIUYCTMCN-UHFFFAOYSA-N 1 2 333.432 2.256 10 30 EEEELO CC(C)C#CC(=O)N[C@H]1COC2(C[NH+]([C@H](C)c3ccccc3)C2)C1 ZINC001484797465 1191529611 /nfs/dbraw/zinc/52/96/11/1191529611.db2.gz GTTWRXVBBQCPNT-SJLPKXTDSA-N 1 2 326.440 2.367 10 30 EEEELO C=CCCC(=O)N[C@H]1CC[N@@H+](Cc2nn(CC)nc2C)CC1(C)C ZINC001484929491 1191576520 /nfs/dbraw/zinc/57/65/20/1191576520.db2.gz CYQDGEBGYAVIHB-INIZCTEOSA-N 1 2 333.480 2.289 10 30 EEEELO C=CCCC(=O)N[C@H]1CC[N@H+](Cc2nn(CC)nc2C)CC1(C)C ZINC001484929491 1191576523 /nfs/dbraw/zinc/57/65/23/1191576523.db2.gz CYQDGEBGYAVIHB-INIZCTEOSA-N 1 2 333.480 2.289 10 30 EEEELO C=CCC1(C(=O)N2CCN(C3C[NH+](C[C@@H](F)CC)C3)CC2)CCC1 ZINC001484946700 1191589202 /nfs/dbraw/zinc/58/92/02/1191589202.db2.gz OOWGVLJYFCJIQQ-INIZCTEOSA-N 1 2 337.483 2.309 10 30 EEEELO C#Cc1cccc(NC(=O)C[N@@H+](C)[C@H](C)CNC(=O)C(C)(C)CC)c1 ZINC001485343946 1191747642 /nfs/dbraw/zinc/74/76/42/1191747642.db2.gz COCJTTROTUBIHL-OAHLLOKOSA-N 1 2 343.471 2.479 10 30 EEEELO C#Cc1cccc(NC(=O)C[N@H+](C)[C@H](C)CNC(=O)C(C)(C)CC)c1 ZINC001485343946 1191747644 /nfs/dbraw/zinc/74/76/44/1191747644.db2.gz COCJTTROTUBIHL-OAHLLOKOSA-N 1 2 343.471 2.479 10 30 EEEELO C#CCCCC(=O)NC1(CCO)C[NH+](Cc2ccc3c(c2)CCC3)C1 ZINC001485404556 1191778115 /nfs/dbraw/zinc/77/81/15/1191778115.db2.gz WZYQZCKWGMQVQK-UHFFFAOYSA-N 1 2 340.467 2.032 10 30 EEEELO C[C@@H](NC(=O)[C@@H](C)C#N)C1C[NH+](Cc2ncc(-c3cccs3)o2)C1 ZINC001485494776 1191812158 /nfs/dbraw/zinc/81/21/58/1191812158.db2.gz AILCLMWZOTUJPU-NWDGAFQWSA-N 1 2 344.440 2.499 10 30 EEEELO C[C@H](C#N)C(=O)N[C@@H](C[NH2+]Cc1noc(-c2ccoc2)n1)C(C)(C)C ZINC001486390590 1193909662 /nfs/dbraw/zinc/90/96/62/1193909662.db2.gz KFEIXSIPIQWCCR-YPMHNXCESA-N 1 2 345.403 2.110 10 30 EEEELO C#CCCCC(=O)N[C@H](C)C1CC[NH+](Cc2ncnn2C(C)C)CC1 ZINC001486436371 1193955643 /nfs/dbraw/zinc/95/56/43/1193955643.db2.gz GSPQSJHUGFOZAW-MRXNPFEDSA-N 1 2 345.491 2.379 10 30 EEEELO C#CCCCC(=O)N[C@@H](C)C1CC[NH+]([C@@H](C)c2nnc(C)[nH]2)CC1 ZINC001486445851 1193960665 /nfs/dbraw/zinc/96/06/65/1193960665.db2.gz OFFQIWXAFDDVHI-KBPBESRZSA-N 1 2 331.464 2.194 10 30 EEEELO C#CCCCCCC(=O)NCC1=CC[N@H+](Cc2ccn(C)n2)CC1 ZINC001486512521 1194030738 /nfs/dbraw/zinc/03/07/38/1194030738.db2.gz CORWWTRHSNANHT-UHFFFAOYSA-N 1 2 328.460 2.252 10 30 EEEELO C#CCCCCCC(=O)NCC1=CC[N@@H+](Cc2ccn(C)n2)CC1 ZINC001486512521 1194030743 /nfs/dbraw/zinc/03/07/43/1194030743.db2.gz CORWWTRHSNANHT-UHFFFAOYSA-N 1 2 328.460 2.252 10 30 EEEELO C[C@@H](CC[NH2+]CC#Cc1ccccc1Cl)NC(=O)c1[nH]ncc1F ZINC001273001260 1194308973 /nfs/dbraw/zinc/30/89/73/1194308973.db2.gz DHVPJSCGLNOPTJ-LBPRGKRZSA-N 1 2 348.809 2.352 10 30 EEEELO C=C(C)C(C)(C)C(=O)N1CCC[C@@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001746547910 1197507471 /nfs/dbraw/zinc/50/74/71/1197507471.db2.gz XYNZJYVUILRGMG-MRXNPFEDSA-N 1 2 346.475 2.373 10 30 EEEELO C#C[C@H](NC(=O)N[C@H]1Cc2c[nH+]cn2C1)c1ccc(Cl)cc1F ZINC000875725683 1199362076 /nfs/dbraw/zinc/36/20/76/1199362076.db2.gz YEWSZCJARIXJGT-NHYWBVRUSA-N 1 2 332.766 2.274 10 30 EEEELO N#Cc1csc(C[N@H+]2CCC[C@H](C(=O)Nc3ccccn3)C2)n1 ZINC000811455444 1200070782 /nfs/dbraw/zinc/07/07/82/1200070782.db2.gz HAJOCTMBTIEANR-LBPRGKRZSA-N 1 2 327.413 2.260 10 30 EEEELO N#Cc1csc(C[N@@H+]2CCC[C@H](C(=O)Nc3ccccn3)C2)n1 ZINC000811455444 1200070791 /nfs/dbraw/zinc/07/07/91/1200070791.db2.gz HAJOCTMBTIEANR-LBPRGKRZSA-N 1 2 327.413 2.260 10 30 EEEELO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=S)Nc1ccccc1C#N ZINC000795133078 1200755626 /nfs/dbraw/zinc/75/56/26/1200755626.db2.gz USNHQMFZEVMCLE-ZFWWWQNUSA-N 1 2 330.457 2.050 10 30 EEEELO C#CCC1(O)CC[NH+](CC(=O)Nc2cc(Cl)ccc2C#N)CC1 ZINC000880479866 1201498376 /nfs/dbraw/zinc/49/83/76/1201498376.db2.gz ANVCJYBNXIEZRM-UHFFFAOYSA-N 1 2 331.803 2.000 10 30 EEEELO C#CC1(F)CN(C(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)C1 ZINC000883479022 1202073387 /nfs/dbraw/zinc/07/33/87/1202073387.db2.gz JMXMZKZYFOHFIH-HNNXBMFYSA-N 1 2 326.375 2.071 10 30 EEEELO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1ccc2nn(C(C)C)cc2c1 ZINC000884138250 1202240727 /nfs/dbraw/zinc/24/07/27/1202240727.db2.gz IOFQARHSFTZFCB-AWEZNQCLSA-N 1 2 330.388 2.002 10 30 EEEELO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1c2cccc(F)c2CC[C@H]1C ZINC000884145509 1202241956 /nfs/dbraw/zinc/24/19/56/1202241956.db2.gz LYSCHWNEPKGZBF-XQAQDONZSA-N 1 2 334.391 2.012 10 30 EEEELO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@@H]1CCC(C)(C)c2ccccc21 ZINC000884324820 1202293611 /nfs/dbraw/zinc/29/36/11/1202293611.db2.gz ARVPLGAILYJNKC-YOEHRIQHSA-N 1 2 344.455 2.404 10 30 EEEELO C#CCOCCC(=O)N[C@H]1CC[N@H+](Cc2coc(C3CC3)n2)[C@@H](C)C1 ZINC001274622926 1205102824 /nfs/dbraw/zinc/10/28/24/1205102824.db2.gz HKJJOKYABZRWKU-HOCLYGCPSA-N 1 2 345.443 2.061 10 30 EEEELO C#CCOCCC(=O)N[C@H]1CC[N@@H+](Cc2coc(C3CC3)n2)[C@@H](C)C1 ZINC001274622926 1205102826 /nfs/dbraw/zinc/10/28/26/1205102826.db2.gz HKJJOKYABZRWKU-HOCLYGCPSA-N 1 2 345.443 2.061 10 30 EEEELO C=C1CC(C)(C(=O)N(C)CCNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001296116051 1205112117 /nfs/dbraw/zinc/11/21/17/1205112117.db2.gz NDKLTDIWFQFRLJ-MRXNPFEDSA-N 1 2 346.475 2.401 10 30 EEEELO C=C1CC(C)(C(=O)N[C@@H](C)C[NH2+]Cc2nc([C@H](C)OCC)no2)C1 ZINC001275302933 1205304056 /nfs/dbraw/zinc/30/40/56/1205304056.db2.gz CCHMWZFQBWPSNJ-STQMWFEESA-N 1 2 336.436 2.118 10 30 EEEELO C#Cc1ccc(C(=O)N[C@@H](C)C[N@H+](C)Cc2ccncc2Cl)cn1 ZINC001275697474 1205488360 /nfs/dbraw/zinc/48/83/60/1205488360.db2.gz JIRFEMVFKDYEJB-ZDUSSCGKSA-N 1 2 342.830 2.362 10 30 EEEELO C#Cc1ccc(C(=O)N[C@@H](C)C[N@@H+](C)Cc2ccncc2Cl)cn1 ZINC001275697474 1205488362 /nfs/dbraw/zinc/48/83/62/1205488362.db2.gz JIRFEMVFKDYEJB-ZDUSSCGKSA-N 1 2 342.830 2.362 10 30 EEEELO Cc1cnc(C[N@@H+]2CCCCC[C@@H]2CNC(=O)C#CC2CC2)nc1 ZINC001276300975 1210026960 /nfs/dbraw/zinc/02/69/60/1210026960.db2.gz WCSJBYOXBRUJNO-QGZVFWFLSA-N 1 2 326.444 2.059 10 30 EEEELO Cc1cnc(C[N@H+]2CCCCC[C@@H]2CNC(=O)C#CC2CC2)nc1 ZINC001276300975 1210026962 /nfs/dbraw/zinc/02/69/62/1210026962.db2.gz WCSJBYOXBRUJNO-QGZVFWFLSA-N 1 2 326.444 2.059 10 30 EEEELO N#Cc1ccc(OC2CC[NH+](CN3CCOC3=S)CC2)c(F)c1 ZINC000795713520 1215004136 /nfs/dbraw/zinc/00/41/36/1215004136.db2.gz IFHMHANTSYZYEJ-UHFFFAOYSA-N 1 2 335.404 2.115 10 30 EEEELO C=CC(C)(C)CC(=O)N[C@H](C)[C@@H]1CCC[N@H+](Cc2nnc(C)[nH]2)C1 ZINC001491289211 1258909892 /nfs/dbraw/zinc/90/98/92/1258909892.db2.gz ZBOOUTXMGPBCAR-UKRRQHHQSA-N 1 2 333.480 2.432 10 30 EEEELO C=CC(C)(C)CC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](Cc2nnc(C)[nH]2)C1 ZINC001491289211 1258909897 /nfs/dbraw/zinc/90/98/97/1258909897.db2.gz ZBOOUTXMGPBCAR-UKRRQHHQSA-N 1 2 333.480 2.432 10 30 EEEELO C=CC(C)(C)CC(=O)N(C)CCCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001687520610 1278563561 /nfs/dbraw/zinc/56/35/61/1278563561.db2.gz QHTHPHUUPDVGLE-OAHLLOKOSA-N 1 2 346.475 2.013 10 30 EEEELO C=C(C)C(C)(C)C(=O)N[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)[C@@H]1C ZINC001488140040 1286811426 /nfs/dbraw/zinc/81/14/26/1286811426.db2.gz IKUJABKNAWHWOB-HZPDHXFCSA-N 1 2 346.475 2.371 10 30 EEEELO C#CCCCCC(=O)N[C@@H]1[C@@H]2CCC[N@H+](Cc3cnon3)[C@H]2C1(C)C ZINC001489087638 1290391800 /nfs/dbraw/zinc/39/18/00/1290391800.db2.gz RIPKXYRUEVRZOZ-CGTJXYLNSA-N 1 2 344.459 2.368 10 30 EEEELO C#CCCCCC(=O)N[C@@H]1[C@@H]2CCC[N@@H+](Cc3cnon3)[C@H]2C1(C)C ZINC001489087638 1290391811 /nfs/dbraw/zinc/39/18/11/1290391811.db2.gz RIPKXYRUEVRZOZ-CGTJXYLNSA-N 1 2 344.459 2.368 10 30 EEEELO C#CC[NH2+]Cc1nc2c(s1)CCN(C(=O)c1conc1C(C)C)C2 ZINC001489335062 1290518146 /nfs/dbraw/zinc/51/81/46/1290518146.db2.gz HIKJXSXSEYUBED-UHFFFAOYSA-N 1 2 344.440 2.176 10 30 EEEELO C#CC[NH2+]Cc1nc2c(s1)CCN(C(=O)c1cc(C(C)C)no1)C2 ZINC001489336598 1290520160 /nfs/dbraw/zinc/52/01/60/1290520160.db2.gz CHLJISKINWSBIU-UHFFFAOYSA-N 1 2 344.440 2.176 10 30 EEEELO N#C[C@@]1(c2ccccn2)CCC[N@@H+](CCC(=O)N2CCCCC2)C1 ZINC000852327090 1292093275 /nfs/dbraw/zinc/09/32/75/1292093275.db2.gz QSHLZWPLJHQNDN-IBGZPJMESA-N 1 2 326.444 2.341 10 30 EEEELO N#C[C@@]1(c2ccccn2)CCC[N@H+](CCC(=O)N2CCCCC2)C1 ZINC000852327090 1292093280 /nfs/dbraw/zinc/09/32/80/1292093280.db2.gz QSHLZWPLJHQNDN-IBGZPJMESA-N 1 2 326.444 2.341 10 30 EEEELO C#CCN(CC(=O)OC(C)(C)C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000855492822 1293231818 /nfs/dbraw/zinc/23/18/18/1293231818.db2.gz SYJVJMKOAOAPCO-UHFFFAOYSA-N 1 2 339.395 2.289 10 30 EEEELO COCC#CC[N@@H+]1CC[C@@H]1CNC(=O)CCCc1ccc(C)cc1 ZINC001276916811 1300251355 /nfs/dbraw/zinc/25/13/55/1300251355.db2.gz WYCJYELNVBAVFT-LJQANCHMSA-N 1 2 328.456 2.158 10 30 EEEELO COCC#CC[N@H+]1CC[C@@H]1CNC(=O)CCCc1ccc(C)cc1 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C=C(C)CCC(=O)N1C[C@@H]2C[N@H+](Cc3nc([C@@H](C)OC)no3)C[C@@H]2C1 ZINC001279371910 1323889534 /nfs/dbraw/zinc/88/95/34/1323889534.db2.gz SDOSJNAACXFUJO-KFWWJZLASA-N 1 2 348.447 2.024 10 30 EEEELO C=C(C)CCC(=O)N1C[C@@H]2C[N@@H+](Cc3nc([C@@H](C)OC)no3)C[C@@H]2C1 ZINC001279371910 1323889539 /nfs/dbraw/zinc/88/95/39/1323889539.db2.gz SDOSJNAACXFUJO-KFWWJZLASA-N 1 2 348.447 2.024 10 30 EEEELO C=CCCC(=O)N[C@]1(CO)CCC[N@@H+](Cc2ncoc2C(C)C)C1 ZINC001279471142 1323910909 /nfs/dbraw/zinc/91/09/09/1323910909.db2.gz KTXQFVJWHRVLSH-GOSISDBHSA-N 1 2 335.448 2.207 10 30 EEEELO C=CCCC(=O)N[C@]1(CO)CCC[N@H+](Cc2ncoc2C(C)C)C1 ZINC001279471142 1323910917 /nfs/dbraw/zinc/91/09/17/1323910917.db2.gz KTXQFVJWHRVLSH-GOSISDBHSA-N 1 2 335.448 2.207 10 30 EEEELO C=C[C@@H](CC)CC(=O)NCC1=CC[N@@H+]([C@H](C)c2nncn2C)CC1 ZINC001279621653 1323962909 /nfs/dbraw/zinc/96/29/09/1323962909.db2.gz JMUXNNVRJGWLEG-CABCVRRESA-N 1 2 331.464 2.227 10 30 EEEELO C=C[C@@H](CC)CC(=O)NCC1=CC[N@H+]([C@H](C)c2nncn2C)CC1 ZINC001279621653 1323962911 /nfs/dbraw/zinc/96/29/11/1323962911.db2.gz JMUXNNVRJGWLEG-CABCVRRESA-N 1 2 331.464 2.227 10 30 EEEELO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H](c1cccnc1)C(C)C ZINC001280419363 1324212028 /nfs/dbraw/zinc/21/20/28/1324212028.db2.gz ZCRGQQVBMXMSJO-QZTJIDSGSA-N 1 2 331.460 2.214 10 30 EEEELO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H](c1cccnc1)C(C)C ZINC001280419363 1324212034 /nfs/dbraw/zinc/21/20/34/1324212034.db2.gz ZCRGQQVBMXMSJO-QZTJIDSGSA-N 1 2 331.460 2.214 10 30 EEEELO C=C[C@@](C)(CC)C(=O)N[C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001294807895 1329153702 /nfs/dbraw/zinc/15/37/02/1329153702.db2.gz XIYGMMUVRDZSAW-ACJLOTCBSA-N 1 2 332.448 2.007 10 30 EEEELO C=CCCCC(=O)N[C@@H](C)C1CN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001280646110 1324373185 /nfs/dbraw/zinc/37/31/85/1324373185.db2.gz MWJMGNWAMLUOPQ-AWEZNQCLSA-N 1 2 340.427 2.267 10 30 EEEELO C=CCCCC(=O)N1CCC2(C[C@H]2NC(=O)CCn2cc[nH+]c2)CC1 ZINC001294837345 1329166528 /nfs/dbraw/zinc/16/65/28/1329166528.db2.gz NBAZTRCVZBXKFS-MRXNPFEDSA-N 1 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ZINC001281148115 1324795158 /nfs/dbraw/zinc/79/51/58/1324795158.db2.gz NPCKVUKCBSUFMB-NVXWUHKLSA-N 1 2 344.459 2.147 10 30 EEEELO C=C[C@@](C)(CC)C(=O)N1CCC[C@](CO)([NH2+]Cc2ncc(CC)o2)C1 ZINC001281163706 1324810982 /nfs/dbraw/zinc/81/09/82/1324810982.db2.gz PUGGEPLSDWIHSO-OALUTQOASA-N 1 2 349.475 2.282 10 30 EEEELO C#CCCCCC(=O)N[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)[C@@H]1C ZINC001281208275 1324875932 /nfs/dbraw/zinc/87/59/32/1324875932.db2.gz SMFLKYISXUJKIU-WBVHZDCISA-N 1 2 344.459 2.032 10 30 EEEELO C#CCCCCC(=O)N[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)[C@@H]1C ZINC001281208275 1324875940 /nfs/dbraw/zinc/87/59/40/1324875940.db2.gz SMFLKYISXUJKIU-WBVHZDCISA-N 1 2 344.459 2.032 10 30 EEEELO C=CCCOCC(=O)N[C@@H]1C[N@@H+](Cc2nc(C)oc2C)CC1(C)C ZINC001276632937 1324900810 /nfs/dbraw/zinc/90/08/10/1324900810.db2.gz IQEAOULYNOQUFR-MRXNPFEDSA-N 1 2 335.448 2.211 10 30 EEEELO C=CCCOCC(=O)N[C@@H]1C[N@H+](Cc2nc(C)oc2C)CC1(C)C ZINC001276632937 1324900812 /nfs/dbraw/zinc/90/08/12/1324900812.db2.gz IQEAOULYNOQUFR-MRXNPFEDSA-N 1 2 335.448 2.211 10 30 EEEELO C=CCCC(=O)NC[C@H]1CC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001281233076 1324907146 /nfs/dbraw/zinc/90/71/46/1324907146.db2.gz LNKPGXPQLSKZRF-JKSUJKDBSA-N 1 2 346.475 2.294 10 30 EEEELO C=CCCCC(=O)NCc1ccc2c(c1)C[N@H+]([C@@H](CC)C(N)=O)C2 ZINC001281299603 1324944577 /nfs/dbraw/zinc/94/45/77/1324944577.db2.gz PLZDHPOEDLFKKQ-KRWDZBQOSA-N 1 2 329.444 2.239 10 30 EEEELO C=CCCCC(=O)NCc1ccc2c(c1)C[N@@H+]([C@@H](CC)C(N)=O)C2 ZINC001281299603 1324944581 /nfs/dbraw/zinc/94/45/81/1324944581.db2.gz PLZDHPOEDLFKKQ-KRWDZBQOSA-N 1 2 329.444 2.239 10 30 EEEELO C=C(C)C(C)(C)C(=O)NC[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@@H]1C ZINC001281428177 1325081505 /nfs/dbraw/zinc/08/15/05/1325081505.db2.gz SNTCMZRREZERNJ-LSDHHAIUSA-N 1 2 346.475 2.155 10 30 EEEELO C=C1CC(C)(C(=O)NC[C@H](C)[N@H+](C)[C@@H](C)C(=O)Nc2cc(C)no2)C1 ZINC001282455547 1325725579 /nfs/dbraw/zinc/72/55/79/1325725579.db2.gz OYWQQWGTBIWKBD-KBPBESRZSA-N 1 2 348.447 2.103 10 30 EEEELO C=C1CC(C)(C(=O)NC[C@H](C)[N@@H+](C)[C@@H](C)C(=O)Nc2cc(C)no2)C1 ZINC001282455547 1325725582 /nfs/dbraw/zinc/72/55/82/1325725582.db2.gz OYWQQWGTBIWKBD-KBPBESRZSA-N 1 2 348.447 2.103 10 30 EEEELO C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+](CC(=O)NC2CCCC2)CC1(C)C ZINC001282821937 1325798191 /nfs/dbraw/zinc/79/81/91/1325798191.db2.gz QFYXJNJIIUSOBM-MRXNPFEDSA-N 1 2 349.519 2.474 10 30 EEEELO C=CCC(C)(C)C(=O)N[C@@H]1C[N@@H+](CC(=O)NC2CCCC2)CC1(C)C ZINC001282821937 1325798195 /nfs/dbraw/zinc/79/81/95/1325798195.db2.gz QFYXJNJIIUSOBM-MRXNPFEDSA-N 1 2 349.519 2.474 10 30 EEEELO C=CCC[C@H](C)[N@@H+]1C[C@@]2(C)CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@]2(C)C1 ZINC001282991991 1325870866 /nfs/dbraw/zinc/87/08/66/1325870866.db2.gz DJFBZVORJIJDNP-ZYSHUDEJSA-N 1 2 330.476 2.477 10 30 EEEELO C=CCC[C@H](C)[N@H+]1C[C@@]2(C)CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@]2(C)C1 ZINC001282991991 1325870869 /nfs/dbraw/zinc/87/08/69/1325870869.db2.gz DJFBZVORJIJDNP-ZYSHUDEJSA-N 1 2 330.476 2.477 10 30 EEEELO 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349.862 2.001 10 30 EEEELO C=CCC1(C(=O)N[C@H](C)C2C[NH+](CC(=O)N[C@H](C)CC)C2)CCCC1 ZINC001675369801 1356971990 /nfs/dbraw/zinc/97/19/90/1356971990.db2.gz SPBMNMTXIBKNTD-HZPDHXFCSA-N 1 2 349.519 2.474 10 30 EEEELO C=C1CC(C)(C(=O)NC[C@@H](C)N(CC)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001681761899 1358067796 /nfs/dbraw/zinc/06/77/96/1358067796.db2.gz PQSUCYPDZALVDO-RBSFLKMASA-N 1 2 344.459 2.223 10 30 EEEELO C=C1CC(C)(C(=O)NC[C@@H](C)N(CC)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001681761899 1358067799 /nfs/dbraw/zinc/06/77/99/1358067799.db2.gz PQSUCYPDZALVDO-RBSFLKMASA-N 1 2 344.459 2.223 10 30 EEEELO C=C(C)C(C)(C)C(=O)N1CC2(C1)CC[N@@H+](Cc1ncnn1C(C)C)C2 ZINC001686268610 1358374277 /nfs/dbraw/zinc/37/42/77/1358374277.db2.gz HTGLLVSECUPMHP-UHFFFAOYSA-N 1 2 345.491 2.496 10 30 EEEELO C=C(C)C(C)(C)C(=O)N1CC2(C1)CC[N@H+](Cc1ncnn1C(C)C)C2 ZINC001686268610 1358374279 /nfs/dbraw/zinc/37/42/79/1358374279.db2.gz HTGLLVSECUPMHP-UHFFFAOYSA-N 1 2 345.491 2.496 10 30 EEEELO C=C(C)CCC(=O)NCCC[NH+]1CCN(C(=O)c2occc2C)CC1 ZINC001687869232 1358652920 /nfs/dbraw/zinc/65/29/20/1358652920.db2.gz AXKUPYNFFZCSDD-UHFFFAOYSA-N 1 2 347.459 2.208 10 30 EEEELO C=CCCC1(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CC1 ZINC001688024870 1358733596 /nfs/dbraw/zinc/73/35/96/1358733596.db2.gz BOUSKDSVHPDWIB-KBUPBQIOSA-N 1 2 342.443 2.023 10 30 EEEELO C=CCCC1(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CC1 ZINC001688024870 1358733598 /nfs/dbraw/zinc/73/35/98/1358733598.db2.gz BOUSKDSVHPDWIB-KBUPBQIOSA-N 1 2 342.443 2.023 10 30 EEEELO C=CCCCC(=O)N1CCC[C@@H]([C@H](C)NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001688085010 1358773015 /nfs/dbraw/zinc/77/30/15/1358773015.db2.gz HPYOGYGIFSLIPM-JKSUJKDBSA-N 1 2 346.475 2.442 10 30 EEEELO C=CCCCC(=O)N1CCC[C@@H]([C@H](C)NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001688085010 1358773018 /nfs/dbraw/zinc/77/30/18/1358773018.db2.gz HPYOGYGIFSLIPM-JKSUJKDBSA-N 1 2 346.475 2.442 10 30 EEEELO C=CCCCC(=O)N[C@H](C)[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001688086605 1358774585 /nfs/dbraw/zinc/77/45/85/1358774585.db2.gz BMXSDDHXPNSXER-HZPDHXFCSA-N 1 2 346.475 2.442 10 30 EEEELO C=CCCCC(=O)N[C@H](C)[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001688086605 1358774587 /nfs/dbraw/zinc/77/45/87/1358774587.db2.gz BMXSDDHXPNSXER-HZPDHXFCSA-N 1 2 346.475 2.442 10 30 EEEELO C=CCC1(C(=O)N2CC[C@H](CNC(=O)Cc3[nH]cc[nH+]3)C2)CCCC1 ZINC001688213363 1358847725 /nfs/dbraw/zinc/84/77/25/1358847725.db2.gz OEIPTWJUDWCIMD-OAHLLOKOSA-N 1 2 344.459 2.053 10 30 EEEELO C=CC(C)(C)CC(=O)N1CCC[C@H](N(C)C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001688237548 1358863536 /nfs/dbraw/zinc/86/35/36/1358863536.db2.gz QDIOQZRVYQOUAI-AWEZNQCLSA-N 1 2 332.448 2.004 10 30 EEEELO C#Cc1cccc(NC(=O)C[N@@H+](C)CCN(C)C(=O)CC(C)(C)C)c1 ZINC001698984366 1405199812 /nfs/dbraw/zinc/19/98/12/1405199812.db2.gz MSXVKFMXJMOEQH-UHFFFAOYSA-N 1 2 343.471 2.433 10 30 EEEELO C#Cc1cccc(NC(=O)C[N@H+](C)CCN(C)C(=O)CC(C)(C)C)c1 ZINC001698984366 1405199819 /nfs/dbraw/zinc/19/98/19/1405199819.db2.gz MSXVKFMXJMOEQH-UHFFFAOYSA-N 1 2 343.471 2.433 10 30 EEEELO CCCCc1noc([C@H](C)[NH2+]C/C=C/CNC(=O)C#CC(C)C)n1 ZINC001699255839 1405295356 /nfs/dbraw/zinc/29/53/56/1405295356.db2.gz SXOVXMDZRJUSCQ-KIUWMYQTSA-N 1 2 332.448 2.395 10 30 EEEELO C#CCCCC(=O)N[C@@H](C)C[N@H+](C)Cc1cnnn1-c1ccccc1 ZINC001699450633 1405360701 /nfs/dbraw/zinc/36/07/01/1405360701.db2.gz RPVIBARKTUBRJD-INIZCTEOSA-N 1 2 339.443 2.007 10 30 EEEELO C#CCCCC(=O)N[C@@H](C)C[N@@H+](C)Cc1cnnn1-c1ccccc1 ZINC001699450633 1405360708 /nfs/dbraw/zinc/36/07/08/1405360708.db2.gz RPVIBARKTUBRJD-INIZCTEOSA-N 1 2 339.443 2.007 10 30 EEEELO C=CCCC(=O)NC[C@]1(C)CCC[N@@H+]([C@H](C)c2nnnn2C2CC2)C1 ZINC001699870597 1405535528 /nfs/dbraw/zinc/53/55/28/1405535528.db2.gz JFRYETWJPQXRIK-KDOFPFPSSA-N 1 2 346.479 2.254 10 30 EEEELO C=CCCC(=O)NC[C@]1(C)CCC[N@H+]([C@H](C)c2nnnn2C2CC2)C1 ZINC001699870597 1405535531 /nfs/dbraw/zinc/53/55/31/1405535531.db2.gz JFRYETWJPQXRIK-KDOFPFPSSA-N 1 2 346.479 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349.862 2.424 10 30 EEEELO C=CCC(C)(C)C(=O)N(C)C[C@@H]1CCN1C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001684101638 1358226938 /nfs/dbraw/zinc/22/69/38/1358226938.db2.gz DXZQTABRWVCDQH-HOTGVXAUSA-N 1 2 346.475 2.496 10 30 EEEELO C=CCC(C)(C)C(=O)NC[C@H]1C[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001684229795 1358250610 /nfs/dbraw/zinc/25/06/10/1358250610.db2.gz MIUNUNFHRDYAEG-OAGGEKHMSA-N 1 2 346.475 2.448 10 30 EEEELO C=CCCC(=O)N1CCC[C@@H](C)[C@@H]1CCNC(=O)Cc1c[nH+]cn1C ZINC001684605910 1358271089 /nfs/dbraw/zinc/27/10/89/1358271089.db2.gz KWLSGONPXHBVQL-WBVHZDCISA-N 1 2 346.475 2.062 10 30 EEEELO C=C(C)CCC(=O)NCC[C@H]1[C@@H](C)CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001684619153 1358273310 /nfs/dbraw/zinc/27/33/10/1358273310.db2.gz YZQLHGWMSNGNTH-RDJZCZTQSA-N 1 2 346.475 2.442 10 30 EEEELO C=CC(C)(C)C(=O)N[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[C@@H]1CC ZINC001684972390 1358293901 /nfs/dbraw/zinc/29/39/01/1358293901.db2.gz IGBPJUZDRNRNHN-HGTKMLMNSA-N 1 2 344.459 2.221 10 30 EEEELO 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C[C@@H](C#N)C(=O)NC1(C2CC[NH+]([C@@H](C)c3csnn3)CC2)CC1 ZINC001442278708 1096588928 /nfs/dbraw/zinc/58/89/28/1096588928.db2.gz UHQLGFKQZMHCLJ-RYUDHWBXSA-N 1 2 333.461 2.120 10 30 EEEELO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)Cc2ncccc2F)C1 ZINC001443852863 1098372997 /nfs/dbraw/zinc/37/29/97/1098372997.db2.gz HTSKKFWZTYOIDD-CYBMUJFWSA-N 1 2 325.815 2.439 10 30 EEEELO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)Cc2ncccc2F)C1 ZINC001443852863 1098373002 /nfs/dbraw/zinc/37/30/02/1098373002.db2.gz HTSKKFWZTYOIDD-CYBMUJFWSA-N 1 2 325.815 2.439 10 30 EEEELO C=C(Br)C[N@H+]1CC[C@H](NC(=O)COCCCC)[C@H]1C ZINC001479701661 1098777764 /nfs/dbraw/zinc/77/77/64/1098777764.db2.gz FCHLQADVRPDZFW-OLZOCXBDSA-N 1 2 333.270 2.291 10 30 EEEELO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)COCCCC)[C@H]1C ZINC001479701661 1098777768 /nfs/dbraw/zinc/77/77/68/1098777768.db2.gz FCHLQADVRPDZFW-OLZOCXBDSA-N 1 2 333.270 2.291 10 30 EEEELO CC#CC[NH2+]Cc1nc2c(s1)CCN(C(=O)[C@H]1C[C@H]1C(C)C)C2 ZINC001479741904 1098863189 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EEEELO C[C@@H]1C[C@H](C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)[C@@H](C)O1 ZINC000600944456 468691814 /nfs/dbraw/zinc/69/18/14/468691814.db2.gz BGCJHKBVKIUQRE-RKVPGOIHSA-N 1 2 327.428 2.016 10 30 EEEELO COc1ccc(C#N)cc1C[N@@H+]1CCOC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000585800938 469039653 /nfs/dbraw/zinc/03/96/53/469039653.db2.gz XFIINTIBMISQAZ-RCCFBDPRSA-N 1 2 330.428 2.319 10 30 EEEELO COc1ccc(C#N)cc1C[N@H+]1CCOC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000585800938 469039658 /nfs/dbraw/zinc/03/96/58/469039658.db2.gz XFIINTIBMISQAZ-RCCFBDPRSA-N 1 2 330.428 2.319 10 30 EEEELO C=C(C)C[C@@H](C)C(=O)N(CC[NH+]1CCOCC1)[C@@H]1CCSC1 ZINC000615095836 469149499 /nfs/dbraw/zinc/14/94/99/469149499.db2.gz OWATYGXOWAAJFC-HZPDHXFCSA-N 1 2 326.506 2.255 10 30 EEEELO C=C(C)C[C@H](C)C(=O)N(CC[NH+]1CCOCC1)[C@H]1CCSC1 ZINC000615095835 469149604 /nfs/dbraw/zinc/14/96/04/469149604.db2.gz OWATYGXOWAAJFC-HOTGVXAUSA-N 1 2 326.506 2.255 10 30 EEEELO Cc1onc(CC(=O)N[C@@H](Cc2ccccc2)c2[nH+]ccn2C)c1C#N ZINC000593839709 469159927 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C=CCN(CC=C)C(=O)[C@@H](C)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000106370136 527629256 /nfs/dbraw/zinc/62/92/56/527629256.db2.gz LTYSAFRHGDLSIL-OAHLLOKOSA-N 1 2 330.476 2.491 10 30 EEEELO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459324283 535471831 /nfs/dbraw/zinc/47/18/31/535471831.db2.gz JIKZBYSDVQYGTB-MRXNPFEDSA-N 1 2 330.388 2.299 10 30 EEEELO CCN(CC)C(=O)[C@H]1CCC[N@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459324283 535471832 /nfs/dbraw/zinc/47/18/32/535471832.db2.gz JIKZBYSDVQYGTB-MRXNPFEDSA-N 1 2 330.388 2.299 10 30 EEEELO C#C[C@@H]([NH2+]Cc1coc(-c2ccc(C(=O)OC)cc2)n1)[C@@H]1CCCO1 ZINC000775795530 577446006 /nfs/dbraw/zinc/44/60/06/577446006.db2.gz NYMGJEHKPMFORJ-SJORKVTESA-N 1 2 340.379 2.399 10 30 EEEELO N#Cc1c2c(cn(C[N@H+]3CC[C@@H](CC(F)(F)F)C3)c1=O)CCC2 ZINC000766634656 577522571 /nfs/dbraw/zinc/52/25/71/577522571.db2.gz NPTXWPUGIZEOCE-NSHDSACASA-N 1 2 325.334 2.440 10 30 EEEELO N#Cc1c2c(cn(C[N@@H+]3CC[C@@H](CC(F)(F)F)C3)c1=O)CCC2 ZINC000766634656 577522572 /nfs/dbraw/zinc/52/25/72/577522572.db2.gz NPTXWPUGIZEOCE-NSHDSACASA-N 1 2 325.334 2.440 10 30 EEEELO C=CCC(CC=C)C(=O)OCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000758533603 577626408 /nfs/dbraw/zinc/62/64/08/577626408.db2.gz RXPSCXSBYLXKHU-UHFFFAOYSA-N 1 2 334.460 2.242 10 30 EEEELO COc1cccc2c1OCCC2N=Nc1ccc(-n2cc[nH+]c2)nn1 ZINC000761840242 577689931 /nfs/dbraw/zinc/68/99/31/577689931.db2.gz ZVBBXLLHBRMYRS-UHFFFAOYSA-N 1 2 336.355 2.270 10 30 EEEELO C#CCCNC(=O)C(=O)Nc1cccc(-c2[nH+]ccn2CCCC)c1 ZINC000764258717 577733524 /nfs/dbraw/zinc/73/35/24/577733524.db2.gz XANSMRGAUJRAMV-UHFFFAOYSA-N 1 2 338.411 2.428 10 30 EEEELO O=C1/C(=C/c2ncc[nH]2)CC(O)(C(F)(F)F)C/C1=C\c1[nH]cc[nH+]1 ZINC000764431966 577735895 /nfs/dbraw/zinc/73/58/95/577735895.db2.gz HRMHSOKNRGYHLQ-NXZHAISVSA-N 1 2 338.289 2.256 10 30 EEEELO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(CCOC(C)(C)C)CC1=O ZINC000746693132 577932675 /nfs/dbraw/zinc/93/26/75/577932675.db2.gz CLEXZSQQXYMYET-UHFFFAOYSA-N 1 2 342.443 2.461 10 30 EEEELO C=CCOC(=O)[C@@H]([NH3+])Cc1nc(-c2cccc(C(C)(F)F)c2)no1 ZINC000904125224 694298876 /nfs/dbraw/zinc/29/88/76/694298876.db2.gz RNYICKRAKUYWBE-LBPRGKRZSA-N 1 2 337.326 2.447 10 30 EEEELO CCO[C@H](C(=O)NCC[N@H+](C)Cc1cc(C#N)ccc1F)C(C)C ZINC001480862959 1176054211 /nfs/dbraw/zinc/05/42/11/1176054211.db2.gz JLMGRFCBSVAETB-KRWDZBQOSA-N 1 2 335.423 2.306 10 30 EEEELO CCO[C@H](C(=O)NCC[N@@H+](C)Cc1cc(C#N)ccc1F)C(C)C ZINC001480862959 1176054218 /nfs/dbraw/zinc/05/42/18/1176054218.db2.gz JLMGRFCBSVAETB-KRWDZBQOSA-N 1 2 335.423 2.306 10 30 EEEELO C=C[C@@](C)(O)CC(=O)NCC[N@@H+](C)Cc1ccc(F)cc1Cl ZINC001266271591 1176072170 /nfs/dbraw/zinc/07/21/70/1176072170.db2.gz KQTYPFLKRNKTKB-MRXNPFEDSA-N 1 2 328.815 2.354 10 30 EEEELO C=C[C@@](C)(O)CC(=O)NCC[N@H+](C)Cc1ccc(F)cc1Cl ZINC001266271591 1176072178 /nfs/dbraw/zinc/07/21/78/1176072178.db2.gz KQTYPFLKRNKTKB-MRXNPFEDSA-N 1 2 328.815 2.354 10 30 EEEELO CCCCCC(=O)NCC[NH+]1CCN(Cc2cccc(C#N)c2)CC1 ZINC001266279198 1176087661 /nfs/dbraw/zinc/08/76/61/1176087661.db2.gz HLVJETRKMDKRES-UHFFFAOYSA-N 1 2 342.487 2.372 10 30 EEEELO C=CCCC(=O)NC[C@@H]1CCC[N@H+]1CC(=O)Nc1cccc(C)c1 ZINC001266450709 1176554626 /nfs/dbraw/zinc/55/46/26/1176554626.db2.gz SYANVMMGNUOYPB-KRWDZBQOSA-N 1 2 329.444 2.480 10 30 EEEELO C=CCCC(=O)NC[C@@H]1CCC[N@@H+]1CC(=O)Nc1cccc(C)c1 ZINC001266450709 1176554630 /nfs/dbraw/zinc/55/46/30/1176554630.db2.gz SYANVMMGNUOYPB-KRWDZBQOSA-N 1 2 329.444 2.480 10 30 EEEELO C#CCCCCC(=O)NC[C@@H]1CC[N@@H+](Cc2nnc(C(C)C)o2)C1 ZINC001266509042 1176685776 /nfs/dbraw/zinc/68/57/76/1176685776.db2.gz LCOPOHYOIFLZOI-HNNXBMFYSA-N 1 2 332.448 2.325 10 30 EEEELO C#CCCCCC(=O)NC[C@@H]1CC[N@H+](Cc2nnc(C(C)C)o2)C1 ZINC001266509042 1176685780 /nfs/dbraw/zinc/68/57/80/1176685780.db2.gz LCOPOHYOIFLZOI-HNNXBMFYSA-N 1 2 332.448 2.325 10 30 EEEELO C=C(C)CCC(=O)NC[C@@H]1CCC[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001746960943 1176859652 /nfs/dbraw/zinc/85/96/52/1176859652.db2.gz DYUAYJUVCWJUIV-JKSUJKDBSA-N 1 2 332.448 2.031 10 30 EEEELO 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C=CCOc1ccc(C[N@@H+]2CC[C@@H](NS(C)(=O)=O)C2)cc1Cl ZINC000093530775 218229453 /nfs/dbraw/zinc/22/94/53/218229453.db2.gz MXCGJRBNFLWKTN-CYBMUJFWSA-N 1 2 344.864 2.028 10 30 EEEELO N#Cc1ccc([C@@H](O)C[N@@H+]2CCC[C@H]2C(=O)Nc2nccs2)cc1 ZINC000252591560 160392456 /nfs/dbraw/zinc/39/24/56/160392456.db2.gz BJIYXCXTBWPLCZ-GJZGRUSLSA-N 1 2 342.424 2.151 10 30 EEEELO N#Cc1ccc([C@@H](O)C[N@H+]2CCC[C@H]2C(=O)Nc2nccs2)cc1 ZINC000252591560 160392457 /nfs/dbraw/zinc/39/24/57/160392457.db2.gz BJIYXCXTBWPLCZ-GJZGRUSLSA-N 1 2 342.424 2.151 10 30 EEEELO N#Cc1ccc2ncc(C[NH2+]Cc3nccn3CC(F)(F)F)n2c1 ZINC000344222357 161208559 /nfs/dbraw/zinc/20/85/59/161208559.db2.gz XQNRORXOCBKPFK-UHFFFAOYSA-N 1 2 334.305 2.255 10 30 EEEELO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCc2cc[nH]c(=O)c2C1 ZINC000369594855 166291503 /nfs/dbraw/zinc/29/15/03/166291503.db2.gz LVHQEHVHCCBEAO-UHFFFAOYSA-N 1 2 342.786 2.309 10 30 EEEELO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCc2cc[nH]c(=O)c2C1 ZINC000369594855 166291506 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Cc1cnn([C@H]2CCC[N@H+](CC(=O)Nc3sccc3C#N)C2)c1 ZINC000105899748 463494520 /nfs/dbraw/zinc/49/45/20/463494520.db2.gz YLZKXNURJLLBEY-AWEZNQCLSA-N 1 2 329.429 2.400 10 30 EEEELO Cc1cnn([C@H]2CCC[N@@H+](CC(=O)Nc3sccc3C#N)C2)c1 ZINC000105899748 463494527 /nfs/dbraw/zinc/49/45/27/463494527.db2.gz YLZKXNURJLLBEY-AWEZNQCLSA-N 1 2 329.429 2.400 10 30 EEEELO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](c1ccco1)c1ccccc1 ZINC000073893263 463667024 /nfs/dbraw/zinc/66/70/24/463667024.db2.gz ZCALCZIEVFHLDG-XJKSGUPXSA-N 1 2 327.384 2.359 10 30 EEEELO CC(=O)N1CC[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)[C@@H](C)C1 ZINC000269601253 464031410 /nfs/dbraw/zinc/03/14/10/464031410.db2.gz LDNYRHAGSPHMTC-ZDUSSCGKSA-N 1 2 340.345 2.489 10 30 EEEELO CC(=O)N1CC[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)[C@@H](C)C1 ZINC000269601253 464031416 /nfs/dbraw/zinc/03/14/16/464031416.db2.gz LDNYRHAGSPHMTC-ZDUSSCGKSA-N 1 2 340.345 2.489 10 30 EEEELO C=CCC[C@@H]([NH2+]Cc1nccn1S(=O)(=O)N(C)C)c1ccccc1 ZINC000290773527 464132358 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Cc1cc(C#N)cc(NC[C@H](c2cccc(F)c2)[NH+]2CCOCC2)n1 ZINC000340016835 465691905 /nfs/dbraw/zinc/69/19/05/465691905.db2.gz VDIZOAWACLZBKC-GOSISDBHSA-N 1 2 340.402 2.886 10 30 EEEELO C#CCCNC(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000371379119 465755886 /nfs/dbraw/zinc/75/58/86/465755886.db2.gz NNDZOMZAZNVSLA-CVEARBPZSA-N 1 2 335.835 2.034 10 30 EEEELO C#CCCNC(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000371379119 465755893 /nfs/dbraw/zinc/75/58/93/465755893.db2.gz NNDZOMZAZNVSLA-CVEARBPZSA-N 1 2 335.835 2.034 10 30 EEEELO CO[C@@]1(C)CCCN(C(=O)NCc2[nH+]ccn2CC(F)(F)F)C1 ZINC000330997223 465889558 /nfs/dbraw/zinc/88/95/58/465889558.db2.gz VDTHOJYRTJGRBV-ZDUSSCGKSA-N 1 2 334.342 2.360 10 30 EEEELO CC(C)CNC(=O)NC(=O)C[NH+]1CCC(F)(c2ccccn2)CC1 ZINC000331311567 466027575 /nfs/dbraw/zinc/02/75/75/466027575.db2.gz HRPQJSSPKHCULZ-UHFFFAOYSA-N 1 2 336.411 2.028 10 30 EEEELO COC(=O)[C@@H](CNc1cc(C)[nH+]cc1C#N)Cc1cccc(F)c1 ZINC000425224626 467089157 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C=CCN1CC[C@@H]([N@H+](C)Cc2cc(OCC)c(OC)cc2F)C1=O ZINC000529554171 467878562 /nfs/dbraw/zinc/87/85/62/467878562.db2.gz CTLJHUVFQRRQLX-OAHLLOKOSA-N 1 2 336.407 2.452 10 30 EEEELO C[C@H]([NH2+]Cc1ccncc1C#N)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000592093673 468619896 /nfs/dbraw/zinc/61/98/96/468619896.db2.gz NHCUUEOYQNPGIM-ZDUSSCGKSA-N 1 2 344.440 2.054 10 30 EEEELO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc(-c2ccncc2)c(F)c1 ZINC000570970128 468722283 /nfs/dbraw/zinc/72/22/83/468722283.db2.gz JKKPQJBQXHLFRB-GOSISDBHSA-N 1 2 326.375 2.461 10 30 EEEELO CC(C)(C)n1nnc(C[NH2+]C2(c3cccc(C#N)c3)CCOCC2)n1 ZINC000594980330 468737022 /nfs/dbraw/zinc/73/70/22/468737022.db2.gz POHSULSFFMFWLA-UHFFFAOYSA-N 1 2 340.431 2.095 10 30 EEEELO N#Cc1ccc([C@@H](C(N)=O)[NH+]2CCC3(CC2)C(F)(F)C3(F)F)cc1 ZINC000593054553 468853315 /nfs/dbraw/zinc/85/33/15/468853315.db2.gz JPERZIFUSMAZHY-LBPRGKRZSA-N 1 2 341.308 2.451 10 30 EEEELO Cc1nc(NCc2cccc(C(=O)N3CC[C@](C)(C#N)C3)c2)cc[nH+]1 ZINC000598418183 468859586 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/nfs/dbraw/zinc/38/37/24/1187383724.db2.gz PMZCQTXVXFMBHW-UHFFFAOYSA-N 1 2 341.455 2.187 10 30 EEEELO C#Cc1cccc(NC(=O)C[N@H+](C)CCN(C)C(=O)CC2(C)CC2)c1 ZINC001272067851 1187383727 /nfs/dbraw/zinc/38/37/27/1187383727.db2.gz PMZCQTXVXFMBHW-UHFFFAOYSA-N 1 2 341.455 2.187 10 30 EEEELO C#Cc1ccc(C(=O)N(C)CC[N@H+](C)CC(=O)Nc2ccccc2)cc1 ZINC001272080401 1187431490 /nfs/dbraw/zinc/43/14/90/1187431490.db2.gz MVMVANPGOIKUGK-UHFFFAOYSA-N 1 2 349.434 2.310 10 30 EEEELO C#Cc1ccc(C(=O)N(C)CC[N@@H+](C)CC(=O)Nc2ccccc2)cc1 ZINC001272080401 1187431493 /nfs/dbraw/zinc/43/14/93/1187431493.db2.gz MVMVANPGOIKUGK-UHFFFAOYSA-N 1 2 349.434 2.310 10 30 EEEELO C=CCN1CC[C@@H]([N@H+]2CC[C@@H]2CN(C)C(=O)C2(CCC)CCC2)C1=O ZINC001691652140 1193513869 /nfs/dbraw/zinc/51/38/69/1193513869.db2.gz IZUKNXVDUKWELA-IAGOWNOFSA-N 1 2 347.503 2.276 10 30 EEEELO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]2CN(C)C(=O)C2(CCC)CCC2)C1=O ZINC001691652140 1193513872 /nfs/dbraw/zinc/51/38/72/1193513872.db2.gz IZUKNXVDUKWELA-IAGOWNOFSA-N 1 2 347.503 2.276 10 30 EEEELO C#Cc1ccc(C(=O)N(C)CC[N@H+](C)Cc2cnc(Cl)s2)cn1 ZINC001272152622 1187962473 /nfs/dbraw/zinc/96/24/73/1187962473.db2.gz ZSKUVANQULHROF-UHFFFAOYSA-N 1 2 348.859 2.377 10 30 EEEELO C#Cc1ccc(C(=O)N(C)CC[N@@H+](C)Cc2cnc(Cl)s2)cn1 ZINC001272152622 1187962474 /nfs/dbraw/zinc/96/24/74/1187962474.db2.gz ZSKUVANQULHROF-UHFFFAOYSA-N 1 2 348.859 2.377 10 30 EEEELO C#Cc1ccc(C(=O)NC/C=C\C[NH2+]Cc2nnc(C3CC3)o2)cc1 ZINC001483043770 1188206145 /nfs/dbraw/zinc/20/61/45/1188206145.db2.gz XDSMJTCZXFCGTA-ARJAWSKDSA-N 1 2 336.395 2.004 10 30 EEEELO C=C1CC(C)(C(=O)N(C)CCOCC[N@H+](C)Cc2nocc2C)C1 ZINC001691603792 1188304027 /nfs/dbraw/zinc/30/40/27/1188304027.db2.gz QVSWPHZAMDVYCT-UHFFFAOYSA-N 1 2 335.448 2.246 10 30 EEEELO C=C1CC(C)(C(=O)N(C)CCOCC[N@@H+](C)Cc2nocc2C)C1 ZINC001691603792 1188304029 /nfs/dbraw/zinc/30/40/29/1188304029.db2.gz QVSWPHZAMDVYCT-UHFFFAOYSA-N 1 2 335.448 2.246 10 30 EEEELO C[C@@H](CN(C)C(=O)C(F)C(F)(F)F)[NH2+]Cc1cccc(C#N)c1 ZINC001485879416 1193624797 /nfs/dbraw/zinc/62/47/97/1193624797.db2.gz QGKIKHVULANHDR-GXFFZTMASA-N 1 2 331.313 2.395 10 30 EEEELO C[C@@H](CN(C)C(=O)[C@@H](F)C(F)(F)F)[NH2+]Cc1cccc(C#N)c1 ZINC001485879416 1193624799 /nfs/dbraw/zinc/62/47/99/1193624799.db2.gz QGKIKHVULANHDR-GXFFZTMASA-N 1 2 331.313 2.395 10 30 EEEELO C[C@H](CN(C)C(=O)C(F)C(F)(F)F)[NH2+]Cc1cccc(C#N)c1 ZINC001485879418 1193624926 /nfs/dbraw/zinc/62/49/26/1193624926.db2.gz QGKIKHVULANHDR-ZWNOBZJWSA-N 1 2 331.313 2.395 10 30 EEEELO C[C@H](CN(C)C(=O)[C@@H](F)C(F)(F)F)[NH2+]Cc1cccc(C#N)c1 ZINC001485879418 1193624928 /nfs/dbraw/zinc/62/49/28/1193624928.db2.gz QGKIKHVULANHDR-ZWNOBZJWSA-N 1 2 331.313 2.395 10 30 EEEELO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCCN(C(=O)CCC)C1 ZINC001483421665 1190468390 /nfs/dbraw/zinc/46/83/90/1190468390.db2.gz UBMYRSLKDUARHM-LSDHHAIUSA-N 1 2 343.899 2.214 10 30 EEEELO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCCN(C(=O)CCC)C1 ZINC001483421665 1190468394 /nfs/dbraw/zinc/46/83/94/1190468394.db2.gz UBMYRSLKDUARHM-LSDHHAIUSA-N 1 2 343.899 2.214 10 30 EEEELO C[C@H]1[C@H]([NH2+]Cc2nc(C3CCC3)no2)CCN1C(=O)C#CC(C)(C)C ZINC001486077649 1193681905 /nfs/dbraw/zinc/68/19/05/1193681905.db2.gz BDEBEHALCCWGGT-DZGCQCFKSA-N 1 2 344.459 2.466 10 30 EEEELO C#CCCCC(=O)N1C[C@@H]([NH2+]Cc2nnc(C(F)F)s2)C[C@H]1C ZINC001486109075 1193684664 /nfs/dbraw/zinc/68/46/64/1193684664.db2.gz LKUBMTFZSFHEEB-MNOVXSKESA-N 1 2 342.415 2.358 10 30 EEEELO CC(C)n1ccc(C[N@@H+]2CC[C@@]3(NC(=O)[C@H](C)C#N)CCC[C@H]23)n1 ZINC001486138821 1193693127 /nfs/dbraw/zinc/69/31/27/1193693127.db2.gz KOWNBYDIQQKBHR-HFTRVMKXSA-N 1 2 329.448 2.237 10 30 EEEELO CC(C)n1ccc(C[N@H+]2CC[C@@]3(NC(=O)[C@H](C)C#N)CCC[C@H]23)n1 ZINC001486138821 1193693128 /nfs/dbraw/zinc/69/31/28/1193693128.db2.gz KOWNBYDIQQKBHR-HFTRVMKXSA-N 1 2 329.448 2.237 10 30 EEEELO C#CCN(C(=O)C[C@H]1C=CCC1)C1CC[NH+](Cc2ccn(C)n2)CC1 ZINC001483978549 1191139069 /nfs/dbraw/zinc/13/90/69/1191139069.db2.gz BIUNSXJYHYVQLB-KRWDZBQOSA-N 1 2 340.471 2.203 10 30 EEEELO C#CCN(C(=O)c1oncc1C)C1CC[NH+](Cc2coc(C)n2)CC1 ZINC001483988802 1191144163 /nfs/dbraw/zinc/14/41/63/1191144163.db2.gz OEAXNNZQVFIBAW-UHFFFAOYSA-N 1 2 342.399 2.019 10 30 EEEELO CC[C@H](C)CCCCC(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001484023948 1191161430 /nfs/dbraw/zinc/16/14/30/1191161430.db2.gz MGPKDXJFYHRAJK-ROUUACIJSA-N 1 2 334.508 2.335 10 30 EEEELO C#CCCCCC(=O)NC[C@]1(C)CCC[N@@H+](Cc2nnc(C)[nH]2)C1 ZINC001484157313 1191246619 /nfs/dbraw/zinc/24/66/19/1191246619.db2.gz JDRZIYZAEUMCQK-SFHVURJKSA-N 1 2 331.464 2.025 10 30 EEEELO C#CCCCCC(=O)NC[C@]1(C)CCC[N@H+](Cc2nnc(C)[nH]2)C1 ZINC001484157313 1191246620 /nfs/dbraw/zinc/24/66/20/1191246620.db2.gz JDRZIYZAEUMCQK-SFHVURJKSA-N 1 2 331.464 2.025 10 30 EEEELO CCC[C@H](OC)C(=O)N[C@@H](C)C1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001409915449 1191294575 /nfs/dbraw/zinc/29/45/75/1191294575.db2.gz MBFDNPMSVVCROS-UGSOOPFHSA-N 1 2 347.434 2.449 10 30 EEEELO CCn1ccc(C[N@@H+]2CC[C@@H]3[C@H]2CCCN3C(=O)C#CC(C)C)n1 ZINC001484457611 1191376695 /nfs/dbraw/zinc/37/66/95/1191376695.db2.gz WNFSGICSTWQKSI-QZTJIDSGSA-N 1 2 328.460 2.128 10 30 EEEELO CCn1ccc(C[N@H+]2CC[C@@H]3[C@H]2CCCN3C(=O)C#CC(C)C)n1 ZINC001484457611 1191376698 /nfs/dbraw/zinc/37/66/98/1191376698.db2.gz WNFSGICSTWQKSI-QZTJIDSGSA-N 1 2 328.460 2.128 10 30 EEEELO Cc1nnc(C[N@H+]2CCC[C@H](NC(=O)C#CC(C)C)CC2)n1C1CC1 ZINC001484713702 1191478826 /nfs/dbraw/zinc/47/88/26/1191478826.db2.gz IQBJIQVILJGFFA-INIZCTEOSA-N 1 2 343.475 2.052 10 30 EEEELO Cc1nnc(C[N@@H+]2CCC[C@H](NC(=O)C#CC(C)C)CC2)n1C1CC1 ZINC001484713702 1191478828 /nfs/dbraw/zinc/47/88/28/1191478828.db2.gz IQBJIQVILJGFFA-INIZCTEOSA-N 1 2 343.475 2.052 10 30 EEEELO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H](C)Oc1cccc(C)c1)O2 ZINC001484791251 1191527049 /nfs/dbraw/zinc/52/70/49/1191527049.db2.gz RCLBATAWRTZTSQ-FUHWJXTLSA-N 1 2 344.455 2.298 10 30 EEEELO C=CCCCC(=O)NC[C@H]1c2ccccc2CC[N@H+]1[C@@H](C)C(=O)NC ZINC001485003770 1191610562 /nfs/dbraw/zinc/61/05/62/1191610562.db2.gz GMVPUTOCVLGAPW-YJBOKZPZSA-N 1 2 343.471 2.193 10 30 EEEELO C=CCCCC(=O)NC[C@H]1c2ccccc2CC[N@@H+]1[C@@H](C)C(=O)NC ZINC001485003770 1191610563 /nfs/dbraw/zinc/61/05/63/1191610563.db2.gz GMVPUTOCVLGAPW-YJBOKZPZSA-N 1 2 343.471 2.193 10 30 EEEELO CCc1ccc(NC(=O)C[N@H+](C)[C@@H](C)CNC(=O)C#CC2CC2)cc1 ZINC001485302836 1191734576 /nfs/dbraw/zinc/73/45/76/1191734576.db2.gz GQHXOXRRJVCCLP-HNNXBMFYSA-N 1 2 341.455 2.037 10 30 EEEELO CCc1ccc(NC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)C#CC2CC2)cc1 ZINC001485302836 1191734577 /nfs/dbraw/zinc/73/45/77/1191734577.db2.gz GQHXOXRRJVCCLP-HNNXBMFYSA-N 1 2 341.455 2.037 10 30 EEEELO C=CCOCC(=O)N[C@@H]1CCC[N@H+](Cc2nc3c(o2)CCCC3)[C@@H]1C ZINC001486171628 1193711771 /nfs/dbraw/zinc/71/17/71/1193711771.db2.gz PASCKLJIPLHVPW-HUUCEWRRSA-N 1 2 347.459 2.225 10 30 EEEELO C=CCOCC(=O)N[C@@H]1CCC[N@@H+](Cc2nc3c(o2)CCCC3)[C@@H]1C ZINC001486171628 1193711772 /nfs/dbraw/zinc/71/17/72/1193711772.db2.gz PASCKLJIPLHVPW-HUUCEWRRSA-N 1 2 347.459 2.225 10 30 EEEELO CC[C@H](C)CC(=O)N(C)C[C@@H](O)C[N@H+](C)Cc1cc(F)ccc1C#N ZINC001486330102 1193825728 /nfs/dbraw/zinc/82/57/28/1193825728.db2.gz ISCKCCCCGCMMQY-KSSFIOAISA-N 1 2 349.450 2.385 10 30 EEEELO CC[C@H](C)CC(=O)N(C)C[C@@H](O)C[N@@H+](C)Cc1cc(F)ccc1C#N ZINC001486330102 1193825732 /nfs/dbraw/zinc/82/57/32/1193825732.db2.gz ISCKCCCCGCMMQY-KSSFIOAISA-N 1 2 349.450 2.385 10 30 EEEELO C=CC(C)(C)CC(=O)N1CCC[C@@H]1CN(C)C(=O)CCc1[nH]cc[nH+]1 ZINC001486553059 1194068401 /nfs/dbraw/zinc/06/84/01/1194068401.db2.gz YSYAINVCEOYSAF-OAHLLOKOSA-N 1 2 346.475 2.394 10 30 EEEELO C=C(C)C(C)(C)C(=O)NC[C@H](C)N(C)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001486950842 1197102886 /nfs/dbraw/zinc/10/28/86/1197102886.db2.gz YOFXDRVCMUHNKC-HNNXBMFYSA-N 1 2 348.491 2.492 10 30 EEEELO C=CCCCC(=O)N1CC([C@H](C)NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001487196712 1197283788 /nfs/dbraw/zinc/28/37/88/1197283788.db2.gz LDHAIIYOCFNNKK-AWEZNQCLSA-N 1 2 340.427 2.267 10 30 EEEELO C=CCCCC(=O)N[C@H](C)C1CN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001487214695 1197299014 /nfs/dbraw/zinc/29/90/14/1197299014.db2.gz YFYHILWLWVMDSF-HIFRSBDPSA-N 1 2 344.459 2.149 10 30 EEEELO COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C1CCC(C2CC2)CC1 ZINC001691675407 1197474583 /nfs/dbraw/zinc/47/45/83/1197474583.db2.gz ZLKLGRPQPGBJQE-CTWPCTMYSA-N 1 2 332.488 2.385 10 30 EEEELO COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)C1CCC(C2CC2)CC1 ZINC001691675407 1197474584 /nfs/dbraw/zinc/47/45/84/1197474584.db2.gz ZLKLGRPQPGBJQE-CTWPCTMYSA-N 1 2 332.488 2.385 10 30 EEEELO CCN(CC[NH2+]Cc1ncc(C(C)(C)C)o1)C(=O)c1ccc(C#N)[nH]1 ZINC001273335336 1198226470 /nfs/dbraw/zinc/22/64/70/1198226470.db2.gz VDMHATKDNURZID-UHFFFAOYSA-N 1 2 343.431 2.424 10 30 EEEELO C#CCCCC(=O)N[C@H]1CCC[N@@H+](Cc2nnc(C)n2CCC)CC1 ZINC001273411642 1198662520 /nfs/dbraw/zinc/66/25/20/1198662520.db2.gz SUOXRCRCHPKVRI-KRWDZBQOSA-N 1 2 345.491 2.271 10 30 EEEELO C#CCCCC(=O)N[C@H]1CCC[N@H+](Cc2nnc(C)n2CCC)CC1 ZINC001273411642 1198662523 /nfs/dbraw/zinc/66/25/23/1198662523.db2.gz SUOXRCRCHPKVRI-KRWDZBQOSA-N 1 2 345.491 2.271 10 30 EEEELO C=CC(C)(C)CCNC(=O)C(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC000875486202 1199269480 /nfs/dbraw/zinc/26/94/80/1199269480.db2.gz OFRSVTOUPLBDIO-MRXNPFEDSA-N 1 2 329.444 2.008 10 30 EEEELO C=CC(C)(C)CCNC(=O)C(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC000875486202 1199269484 /nfs/dbraw/zinc/26/94/84/1199269484.db2.gz OFRSVTOUPLBDIO-MRXNPFEDSA-N 1 2 329.444 2.008 10 30 EEEELO C=C[C@H](C)ONC(=O)NC[C@H]1C[N@H+](Cc2cccc(C)c2)CCO1 ZINC000875699754 1199351565 /nfs/dbraw/zinc/35/15/65/1199351565.db2.gz AXOGPBFLUQBJMM-RDJZCZTQSA-N 1 2 333.432 2.001 10 30 EEEELO C=C[C@H](C)ONC(=O)NC[C@H]1C[N@@H+](Cc2cccc(C)c2)CCO1 ZINC000875699754 1199351571 /nfs/dbraw/zinc/35/15/71/1199351571.db2.gz AXOGPBFLUQBJMM-RDJZCZTQSA-N 1 2 333.432 2.001 10 30 EEEELO C#CCCCCCC[N@H+]1CCc2sc(S(N)(=O)=O)cc2C1 ZINC000877639067 1199997835 /nfs/dbraw/zinc/99/78/35/1199997835.db2.gz BANYCTOQJURTPP-UHFFFAOYSA-N 1 2 326.487 2.337 10 30 EEEELO C#CCCCCCC[N@@H+]1CCc2sc(S(N)(=O)=O)cc2C1 ZINC000877639067 1199997837 /nfs/dbraw/zinc/99/78/37/1199997837.db2.gz BANYCTOQJURTPP-UHFFFAOYSA-N 1 2 326.487 2.337 10 30 EEEELO C=C[C@@H](C(=O)OC)[N@@H+]1C[C@@H](C)[C@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000811802900 1200319322 /nfs/dbraw/zinc/31/93/22/1200319322.db2.gz ILDCCVYLFVZAKL-IIYDPXPESA-N 1 2 326.437 2.197 10 30 EEEELO C=C[C@@H](C(=O)OC)[N@H+]1C[C@@H](C)[C@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000811802900 1200319329 /nfs/dbraw/zinc/31/93/29/1200319329.db2.gz ILDCCVYLFVZAKL-IIYDPXPESA-N 1 2 326.437 2.197 10 30 EEEELO C#CC1(F)CN(C(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000878300802 1200383411 /nfs/dbraw/zinc/38/34/11/1200383411.db2.gz INZIORCHWCAFTB-GASCZTMLSA-N 1 2 345.418 2.485 10 30 EEEELO C#CC1(F)CN(C(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000878300802 1200383419 /nfs/dbraw/zinc/38/34/19/1200383419.db2.gz INZIORCHWCAFTB-GASCZTMLSA-N 1 2 345.418 2.485 10 30 EEEELO CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC000880657059 1201553310 /nfs/dbraw/zinc/55/33/10/1201553310.db2.gz FMXBISWZOPRLBF-GOSISDBHSA-N 1 2 337.427 2.272 10 30 EEEELO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)N[C@H]2Cc3ccc(C#N)cc3C2)C1 ZINC000869188812 1201958971 /nfs/dbraw/zinc/95/89/71/1201958971.db2.gz FNKLLBAWJUOVGT-WMZOPIPTSA-N 1 2 349.438 2.348 10 30 EEEELO C=CC(C)(C)C(=O)NC/C=C/C[NH2+]Cc1cnn(-c2ccccc2)n1 ZINC001274264027 1204980837 /nfs/dbraw/zinc/98/08/37/1204980837.db2.gz WAZPIQNRDRTART-CMDGGOBGSA-N 1 2 339.443 2.242 10 30 EEEELO C=C[C@](C)(CC)C(=O)NC/C=C/C[NH2+]Cc1noc2c1COCC2 ZINC001274337708 1205002038 /nfs/dbraw/zinc/00/20/38/1205002038.db2.gz AUYXLGJOTVQYDB-IPLHWJFFSA-N 1 2 333.432 2.112 10 30 EEEELO C=C[C@H](CC)CC(=O)NCCN(C)C(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001296198615 1205124939 /nfs/dbraw/zinc/12/49/39/1205124939.db2.gz HRJFSBRLVUSFQW-ZIAGYGMSSA-N 1 2 332.448 2.007 10 30 EEEELO CC[C@H]([NH2+]C[C@H]1COC2(CCOCC2)O1)c1cccc(C#N)c1O ZINC000925975649 1206177259 /nfs/dbraw/zinc/17/72/59/1206177259.db2.gz JEMCFXVQLOYQRS-HOCLYGCPSA-N 1 2 332.400 2.227 10 30 EEEELO C=C1CCC(CNC(=O)N2CC[NH+](CCc3cnccn3)CC2)CC1 ZINC000926550308 1206227071 /nfs/dbraw/zinc/22/70/71/1206227071.db2.gz KNGXBSRSYLQVQG-UHFFFAOYSA-N 1 2 343.475 2.093 10 30 EEEELO Fc1ccc(C#CC[N@@H+]2CCc3nc[nH]c3C23CCOCC3)cc1 ZINC000931106640 1206607593 /nfs/dbraw/zinc/60/75/93/1206607593.db2.gz OGTYSUKMNQPLJH-UHFFFAOYSA-N 1 2 325.387 2.464 10 30 EEEELO Fc1ccc(C#CC[N@H+]2CCc3nc[nH]c3C23CCOCC3)cc1 ZINC000931106640 1206607594 /nfs/dbraw/zinc/60/75/94/1206607594.db2.gz OGTYSUKMNQPLJH-UHFFFAOYSA-N 1 2 325.387 2.464 10 30 EEEELO C#CCNC(=O)CC[N@H+]1CCc2cc(Br)c(F)cc2C1 ZINC000932790823 1207679853 /nfs/dbraw/zinc/67/98/53/1207679853.db2.gz JBEGDUHQYLFRLL-UHFFFAOYSA-N 1 2 339.208 2.086 10 30 EEEELO C#CCNC(=O)CC[N@@H+]1CCc2cc(Br)c(F)cc2C1 ZINC000932790823 1207679855 /nfs/dbraw/zinc/67/98/55/1207679855.db2.gz JBEGDUHQYLFRLL-UHFFFAOYSA-N 1 2 339.208 2.086 10 30 EEEELO NC(=[NH+]OCc1nc(C2CCCC2)no1)c1ccc2c(c1)CCO2 ZINC000158204267 1208391278 /nfs/dbraw/zinc/39/12/78/1208391278.db2.gz 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C=C(C)C(C)(C)C(=O)NC[C@H](C)NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001688167598 1358821632 /nfs/dbraw/zinc/82/16/32/1358821632.db2.gz BBAYKYCKVILGSU-QWHCGFSZSA-N 1 2 332.448 2.053 10 30 EEEELO C=C1CC(C)(C(=O)N(C)CCNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001688349062 1358925884 /nfs/dbraw/zinc/92/58/84/1358925884.db2.gz QZODQGFIVUADBE-UHFFFAOYSA-N 1 2 326.400 2.107 10 30 EEEELO CC#CCCCC(=O)NCCN(CC)C(=O)c1cccc2[nH+]ccn21 ZINC001688417820 1358952519 /nfs/dbraw/zinc/95/25/19/1358952519.db2.gz DAVXZRXOJVRJFE-UHFFFAOYSA-N 1 2 340.427 2.106 10 30 EEEELO C=CCCC(=O)N(C)[C@@H](C)C[NH2+]Cc1nc(CC(F)(F)F)no1 ZINC001698838960 1405101134 /nfs/dbraw/zinc/10/11/34/1405101134.db2.gz GZQIWYQDOZVDIS-JTQLQIEISA-N 1 2 334.342 2.077 10 30 EEEELO CC(C)Cn1nccc1C(=O)N1CCC([N@H+](CC#N)CC2CC2)CC1 ZINC001699688305 1405441641 /nfs/dbraw/zinc/44/16/41/1405441641.db2.gz PFNDBDCPSOMEAH-UHFFFAOYSA-N 1 2 343.475 2.379 10 30 EEEELO CC(C)Cn1nccc1C(=O)N1CCC([N@@H+](CC#N)CC2CC2)CC1 ZINC001699688305 1405441649 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EEEELO Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCCNc1cccc[nH+]1 ZINC000920438883 770720527 /nfs/dbraw/zinc/72/05/27/770720527.db2.gz WXMPXODFRMQHGG-UHFFFAOYSA-N 1 2 335.367 2.487 10 30 EEEELO C#CC[NH+]1CCC(NS(=O)(=O)c2ccc3ccccc3c2F)CC1 ZINC000921437080 773372489 /nfs/dbraw/zinc/37/24/89/773372489.db2.gz MDBVAWSWGGEGBN-UHFFFAOYSA-N 1 2 346.427 2.355 10 30 EEEELO C=C1CC(C)(C(=O)N2C[C@H](C)[C@H]([NH2+]Cc3nc(C4CC4)no3)C2)C1 ZINC000939102335 775464403 /nfs/dbraw/zinc/46/44/03/775464403.db2.gz GKACGEVYRRDSFS-GXTWGEPZSA-N 1 2 330.432 2.240 10 30 EEEELO C=C1CC(C)(C(=O)N2C[C@H]([NH2+]Cc3nnc(C4CC4)o3)[C@@H](C)C2)C1 ZINC000939102464 775466039 /nfs/dbraw/zinc/46/60/39/775466039.db2.gz IKOSBAKLYFRNQY-JSGCOSHPSA-N 1 2 330.432 2.240 10 30 EEEELO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCO2)C(C)(C)C1 ZINC000940556343 778900421 /nfs/dbraw/zinc/90/04/21/778900421.db2.gz AWRJTQKDHNJDTH-CHWSQXEVSA-N 1 2 345.281 2.291 10 30 EEEELO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCO2)C(C)(C)C1 ZINC000940556343 778900426 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2.076 10 30 EEEELO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)C(C)(C)C ZINC001445716981 1091530254 /nfs/dbraw/zinc/53/02/54/1091530254.db2.gz AMBFAVXDCSPOTE-KBPBESRZSA-N 1 2 343.899 2.213 10 30 EEEELO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)C(C)(C)C ZINC001445716981 1091530260 /nfs/dbraw/zinc/53/02/60/1091530260.db2.gz AMBFAVXDCSPOTE-KBPBESRZSA-N 1 2 343.899 2.213 10 30 EEEELO N#Cc1ccc(C[NH2+]C2(CNC(=O)[C@H]3CCCc4[nH]ncc43)CC2)cc1 ZINC001446168025 1092223539 /nfs/dbraw/zinc/22/35/39/1092223539.db2.gz MCSYWFCXFJPIMO-INIZCTEOSA-N 1 2 349.438 2.140 10 30 EEEELO C[C@]1(NC(=O)C[C@H]2CCCO2)CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001439832612 1092826083 /nfs/dbraw/zinc/82/60/83/1092826083.db2.gz HZNLUVOCSICHTG-MJGOQNOKSA-N 1 2 345.418 2.347 10 30 EEEELO C[C@]1(NC(=O)C[C@H]2CCCO2)CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001439832612 1092826093 /nfs/dbraw/zinc/82/60/93/1092826093.db2.gz HZNLUVOCSICHTG-MJGOQNOKSA-N 1 2 345.418 2.347 10 30 EEEELO C=C(Cl)C[N@H+]1CCC[C@](CO)(NC(=O)C[C@H](C)c2ccco2)C1 ZINC001440187573 1093249328 /nfs/dbraw/zinc/24/93/28/1093249328.db2.gz SPIWZIUANNZDSN-GUYCJALGSA-N 1 2 340.851 2.469 10 30 EEEELO C=C(Cl)C[N@@H+]1CCC[C@](CO)(NC(=O)C[C@H](C)c2ccco2)C1 ZINC001440187573 1093249334 /nfs/dbraw/zinc/24/93/34/1093249334.db2.gz SPIWZIUANNZDSN-GUYCJALGSA-N 1 2 340.851 2.469 10 30 EEEELO COc1c(F)cc(C[NH+]2CC([C@@H](C)NC(=O)[C@H](C)C#N)C2)cc1F ZINC001441163291 1094511120 /nfs/dbraw/zinc/51/11/20/1094511120.db2.gz XTCPPWQVQAGLAH-GHMZBOCLSA-N 1 2 337.370 2.070 10 30 EEEELO C=C(C)CCC(=O)N1CCC[C@H]([N@H+](CCO)Cc2nc(C)c(C)o2)C1 ZINC001479653676 1098687896 /nfs/dbraw/zinc/68/78/96/1098687896.db2.gz CLKRAMVRVSLQRM-KRWDZBQOSA-N 1 2 349.475 2.433 10 30 EEEELO C=C(C)CCC(=O)N1CCC[C@H]([N@@H+](CCO)Cc2nc(C)c(C)o2)C1 ZINC001479653676 1098687899 /nfs/dbraw/zinc/68/78/99/1098687899.db2.gz CLKRAMVRVSLQRM-KRWDZBQOSA-N 1 2 349.475 2.433 10 30 EEEELO COc1c(F)cc(C[N@@H+]2CC[C@H](NC(=O)C#CC3CC3)[C@H]2C)cc1F ZINC001479707169 1098782380 /nfs/dbraw/zinc/78/23/80/1098782380.db2.gz VNAVRYUAQUQPIP-PXAZEXFGSA-N 1 2 348.393 2.466 10 30 EEEELO COc1c(F)cc(C[N@H+]2CC[C@H](NC(=O)C#CC3CC3)[C@H]2C)cc1F ZINC001479707169 1098782386 /nfs/dbraw/zinc/78/23/86/1098782386.db2.gz VNAVRYUAQUQPIP-PXAZEXFGSA-N 1 2 348.393 2.466 10 30 EEEELO CC(C)(C)c1noc(C[N@H+](CCCNC(=O)C#CC2CC2)C2CC2)n1 ZINC001479868814 1099208111 /nfs/dbraw/zinc/20/81/11/1099208111.db2.gz MFHJQENORVAYNE-UHFFFAOYSA-N 1 2 344.459 2.251 10 30 EEEELO CC(C)(C)c1noc(C[N@@H+](CCCNC(=O)C#CC2CC2)C2CC2)n1 ZINC001479868814 1099208143 /nfs/dbraw/zinc/20/81/43/1099208143.db2.gz MFHJQENORVAYNE-UHFFFAOYSA-N 1 2 344.459 2.251 10 30 EEEELO C=C[C@](C)(CC)C(=O)N[C@H]1CCC[N@@H+](CC(=O)NC(C)(C)CC)C1 ZINC001479909513 1099302933 /nfs/dbraw/zinc/30/29/33/1099302933.db2.gz CALLVTJIRQEKOY-HNAYVOBHSA-N 1 2 337.508 2.474 10 30 EEEELO C=C[C@](C)(CC)C(=O)N[C@H]1CCC[N@H+](CC(=O)NC(C)(C)CC)C1 ZINC001479909513 1099302942 /nfs/dbraw/zinc/30/29/42/1099302942.db2.gz CALLVTJIRQEKOY-HNAYVOBHSA-N 1 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CCN(CCNC(=O)C#CC(C)C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001496737347 1101370872 /nfs/dbraw/zinc/37/08/72/1101370872.db2.gz STMIULPLRPQRLP-UHFFFAOYSA-N 1 2 329.444 2.245 10 30 EEEELO C=C[C@](C)(CC)C(=O)NCCC[C@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001495787704 1101600151 /nfs/dbraw/zinc/60/01/51/1101600151.db2.gz AIXXNAUIFRKALA-HNAYVOBHSA-N 1 2 346.475 2.442 10 30 EEEELO C=C(C)CCC(=O)N(CCC)[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001497765468 1103061589 /nfs/dbraw/zinc/06/15/89/1103061589.db2.gz MLFLITAZGCRORT-HNNXBMFYSA-N 1 2 332.448 2.148 10 30 EEEELO C=C(C)C(C)(C)C(=O)N1CCC[C@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001494291115 1103832175 /nfs/dbraw/zinc/83/21/75/1103832175.db2.gz ZUSPLLVULMCGEK-OAHLLOKOSA-N 1 2 346.475 2.299 10 30 EEEELO C=C(C)C(C)(C)C(=O)N1CCC[C@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001494291115 1103832186 /nfs/dbraw/zinc/83/21/86/1103832186.db2.gz ZUSPLLVULMCGEK-OAHLLOKOSA-N 1 2 346.475 2.299 10 30 EEEELO C=CCCCC(=O)N[C@@H](C)[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001494379014 1103966653 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2.275 10 30 EEEELO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)CCc1cc(C)cc(C)c1)CO2 ZINC001484803177 1191524663 /nfs/dbraw/zinc/52/46/63/1191524663.db2.gz YMZSGUVCAMAYMS-IBGZPJMESA-N 1 2 340.467 2.219 10 30 EEEELO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H](C)c1ccccc1F)O2 ZINC001484788504 1191526381 /nfs/dbraw/zinc/52/63/81/1191526381.db2.gz YASKDNOIFXBAKQ-HUUCEWRRSA-N 1 2 332.419 2.465 10 30 EEEELO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H](C)c1ccccc1F)O2 ZINC001484788503 1191526470 /nfs/dbraw/zinc/52/64/70/1191526470.db2.gz YASKDNOIFXBAKQ-GJZGRUSLSA-N 1 2 332.419 2.465 10 30 EEEELO CO[C@H](C)CC(=O)N[C@H](C)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001485498300 1191813557 /nfs/dbraw/zinc/81/35/57/1191813557.db2.gz MHFOVVFSJSYSLJ-CHWSQXEVSA-N 1 2 333.407 2.059 10 30 EEEELO C=CCNC(=O)C[N@@H+](C)CCN(C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2)C(C)C ZINC001486370135 1193872532 /nfs/dbraw/zinc/87/25/32/1193872532.db2.gz RYSXMNQFMJRPLR-FGTMMUONSA-N 1 2 347.503 2.060 10 30 EEEELO C=CCNC(=O)C[N@H+](C)CCN(C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2)C(C)C ZINC001486370135 1193872534 /nfs/dbraw/zinc/87/25/34/1193872534.db2.gz RYSXMNQFMJRPLR-FGTMMUONSA-N 1 2 347.503 2.060 10 30 EEEELO C=C(Cl)C[N@@H+](C)CCN(C(=O)c1cn(CCC)nn1)C(C)C ZINC001486377692 1193886347 /nfs/dbraw/zinc/88/63/47/1193886347.db2.gz KETYXDNSYPPJDR-UHFFFAOYSA-N 1 2 327.860 2.223 10 30 EEEELO C=C(Cl)C[N@H+](C)CCN(C(=O)c1cn(CCC)nn1)C(C)C ZINC001486377692 1193886352 /nfs/dbraw/zinc/88/63/52/1193886352.db2.gz KETYXDNSYPPJDR-UHFFFAOYSA-N 1 2 327.860 2.223 10 30 EEEELO C#CCCCC(=O)N(C)C[C@@H]1CCCN1C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001486554211 1194069325 /nfs/dbraw/zinc/06/93/25/1194069325.db2.gz ZPAPSUUPVLQRMN-SJORKVTESA-N 1 2 344.459 2.087 10 30 EEEELO C=CCCC[C@H](C)NC(=O)C(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC000875228620 1199178406 /nfs/dbraw/zinc/17/84/06/1199178406.db2.gz JKSCUWCIZHZNLC-WMLDXEAASA-N 1 2 329.444 2.150 10 30 EEEELO C=CCCC[C@H](C)NC(=O)C(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC000875228620 1199178409 /nfs/dbraw/zinc/17/84/09/1199178409.db2.gz JKSCUWCIZHZNLC-WMLDXEAASA-N 1 2 329.444 2.150 10 30 EEEELO C#CC1(F)CN(C(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC000878300803 1200383339 /nfs/dbraw/zinc/38/33/39/1200383339.db2.gz INZIORCHWCAFTB-GJZGRUSLSA-N 1 2 345.418 2.485 10 30 EEEELO C=CCN(CC=C)C(=O)C[N@H+](C)C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000880084148 1201380539 /nfs/dbraw/zinc/38/05/39/1201380539.db2.gz XZCPREBVJGJLJD-QGZVFWFLSA-N 1 2 343.427 2.144 10 30 EEEELO C=CCN(CC=C)C(=O)C[N@@H+](C)C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000880084148 1201380544 /nfs/dbraw/zinc/38/05/44/1201380544.db2.gz XZCPREBVJGJLJD-QGZVFWFLSA-N 1 2 343.427 2.144 10 30 EEEELO N#Cc1ccc2c(c1)C[C@@H](Nc1cc(N3CCCC[C@@H]3CO)nc[nH+]1)C2 ZINC000866258793 1201478308 /nfs/dbraw/zinc/47/83/08/1201478308.db2.gz AZGIGOWWOFQCQW-ZWKOTPCHSA-N 1 2 349.438 2.279 10 30 EEEELO N#Cc1ccc2c(c1)C[C@@H](Nc1cc(N3CCCC[C@@H]3CO)[nH+]cn1)C2 ZINC000866258793 1201478309 /nfs/dbraw/zinc/47/83/09/1201478309.db2.gz AZGIGOWWOFQCQW-ZWKOTPCHSA-N 1 2 349.438 2.279 10 30 EEEELO C#CCC1(O)CC[NH+]([C@H]2CCN(c3ccccc3Cl)C2=O)CC1 ZINC000880479416 1201498281 /nfs/dbraw/zinc/49/82/81/1201498281.db2.gz PTZNHTACBGDXLN-INIZCTEOSA-N 1 2 332.831 2.296 10 30 EEEELO C=C(Cl)CNC(=O)NC[C@@H]1C[N@H+](Cc2cccc(C)c2)CCO1 ZINC000868274648 1201780936 /nfs/dbraw/zinc/78/09/36/1201780936.db2.gz FUAOBOFCHBRKPE-MRXNPFEDSA-N 1 2 337.851 2.248 10 30 EEEELO C=C(Cl)CNC(=O)NC[C@@H]1C[N@@H+](Cc2cccc(C)c2)CCO1 ZINC000868274648 1201780939 /nfs/dbraw/zinc/78/09/39/1201780939.db2.gz FUAOBOFCHBRKPE-MRXNPFEDSA-N 1 2 337.851 2.248 10 30 EEEELO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCCC[C@@H]1c1ccccc1OC ZINC000884126596 1202238628 /nfs/dbraw/zinc/23/86/28/1202238628.db2.gz FEZCCRCGIFHROB-JKSUJKDBSA-N 1 2 346.427 2.195 10 30 EEEELO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1ccc(CC(F)(F)F)cc1 ZINC000884140050 1202241048 /nfs/dbraw/zinc/24/10/48/1202241048.db2.gz JIQGYHPTYRSGAW-LBPRGKRZSA-N 1 2 330.306 2.177 10 30 EEEELO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCS[C@H](C)[C@@H]1c1ccccc1 ZINC000884146970 1202242190 /nfs/dbraw/zinc/24/21/90/1202242190.db2.gz WMNKRMYPCOCCHV-UKPHBRMFSA-N 1 2 348.468 2.138 10 30 EEEELO C=CCCOCC(=O)N[C@H]1CC[N@@H+](Cc2ncc(CC)o2)[C@H](C)C1 ZINC001274663079 1205120041 /nfs/dbraw/zinc/12/00/41/1205120041.db2.gz RJBDEXOSUZPNJX-CABCVRRESA-N 1 2 335.448 2.299 10 30 EEEELO C=CCCOCC(=O)N[C@H]1CC[N@H+](Cc2ncc(CC)o2)[C@H](C)C1 ZINC001274663079 1205120043 /nfs/dbraw/zinc/12/00/43/1205120043.db2.gz RJBDEXOSUZPNJX-CABCVRRESA-N 1 2 335.448 2.299 10 30 EEEELO C=CCCC(=O)N1CCOC2(CC[NH+]([C@H](C)c3nc(C)no3)CC2)C1 ZINC001274855424 1205188278 /nfs/dbraw/zinc/18/82/78/1205188278.db2.gz DPLZMAAAIURZDB-CQSZACIVSA-N 1 2 348.447 2.099 10 30 EEEELO C#CCOCCC(=O)N[C@@H](C)C[N@H+](C)Cc1cc(O)ccc1Cl ZINC001275561258 1205414553 /nfs/dbraw/zinc/41/45/53/1205414553.db2.gz ZGWOLXSRJPDUBE-ZDUSSCGKSA-N 1 2 338.835 2.022 10 30 EEEELO C#CCOCCC(=O)N[C@@H](C)C[N@@H+](C)Cc1cc(O)ccc1Cl ZINC001275561258 1205414554 /nfs/dbraw/zinc/41/45/54/1205414554.db2.gz ZGWOLXSRJPDUBE-ZDUSSCGKSA-N 1 2 338.835 2.022 10 30 EEEELO C=C(C)C[NH+]1CC(CCO)(NC(=O)[C@@H](C)c2ccc(CC)cc2)C1 ZINC001276094341 1205778440 /nfs/dbraw/zinc/77/84/40/1205778440.db2.gz FFJRWISYMPIECX-INIZCTEOSA-N 1 2 330.472 2.482 10 30 EEEELO C=C(C)C[N@H+](CC[S@](=O)C(F)(F)F)Cc1ccc(CO)o1 ZINC000930455791 1206559154 /nfs/dbraw/zinc/55/91/54/1206559154.db2.gz OKVQVELDAZUBGV-NRFANRHFSA-N 1 2 325.352 2.419 10 30 EEEELO C=C(C)C[N@@H+](CC[S@](=O)C(F)(F)F)Cc1ccc(CO)o1 ZINC000930455791 1206559156 /nfs/dbraw/zinc/55/91/56/1206559156.db2.gz OKVQVELDAZUBGV-NRFANRHFSA-N 1 2 325.352 2.419 10 30 EEEELO C#CC1(O)CC[NH+]([C@H]2CCCN(c3ccccc3Cl)C2=O)CC1 ZINC000931143731 1206610550 /nfs/dbraw/zinc/61/05/50/1206610550.db2.gz LHBHOTQALUTOLF-INIZCTEOSA-N 1 2 332.831 2.296 10 30 EEEELO C=C(Br)C[NH+]1CCC(CN=[S@@](C)(=O)N(C)C)CC1 ZINC000934759535 1208023367 /nfs/dbraw/zinc/02/33/67/1208023367.db2.gz KOWFMCDRUVSAEM-GOSISDBHSA-N 1 2 338.315 2.181 10 30 EEEELO C#Cc1cccc(NC(=O)C[NH+]2CC([C@H](C)NC(=O)[C@@H](C)CC)C2)c1 ZINC001276342685 1215816677 /nfs/dbraw/zinc/81/66/77/1215816677.db2.gz RBRDHNMSUREBAH-GJZGRUSLSA-N 1 2 341.455 2.089 10 30 EEEELO CN(c1ccc(C#N)cc1)S(=O)(=O)c1cccc2c1CC[N@H+](C)C2 ZINC000903144571 1239859672 /nfs/dbraw/zinc/85/96/72/1239859672.db2.gz GNBBMOGGFKPFBM-UHFFFAOYSA-N 1 2 341.436 2.371 10 30 EEEELO CN(c1ccc(C#N)cc1)S(=O)(=O)c1cccc2c1CC[N@@H+](C)C2 ZINC000903144571 1239859682 /nfs/dbraw/zinc/85/96/82/1239859682.db2.gz GNBBMOGGFKPFBM-UHFFFAOYSA-N 1 2 341.436 2.371 10 30 EEEELO C#CC[N@@H+](CC(=O)N1CCO[C@@H]2CCCC[C@H]21)Cc1ccccc1 ZINC000796634020 1252376834 /nfs/dbraw/zinc/37/68/34/1252376834.db2.gz XBNVEAWFAKIRKK-RTBURBONSA-N 1 2 326.440 2.292 10 30 EEEELO C#CC[N@H+](CC(=O)N1CCO[C@@H]2CCCC[C@H]21)Cc1ccccc1 ZINC000796634020 1252376843 /nfs/dbraw/zinc/37/68/43/1252376843.db2.gz XBNVEAWFAKIRKK-RTBURBONSA-N 1 2 326.440 2.292 10 30 EEEELO C=C[C@H](CC)CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ncnn1C ZINC001490975092 1258524384 /nfs/dbraw/zinc/52/43/84/1258524384.db2.gz SJFULMGWXJRIRG-WZYMTQMTSA-N 1 2 331.464 2.029 10 30 EEEELO C=C[C@H](CC)CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ncnn1C ZINC001490975092 1258524389 /nfs/dbraw/zinc/52/43/89/1258524389.db2.gz SJFULMGWXJRIRG-WZYMTQMTSA-N 1 2 331.464 2.029 10 30 EEEELO C=CC(C)(C)CC(=O)N1CCC[C@@H]2C[N@H+](Cc3cnon3)CC[C@@H]21 ZINC001490982433 1258536963 /nfs/dbraw/zinc/53/69/63/1258536963.db2.gz DIWKPVDWGJOHQC-ZBFHGGJFSA-N 1 2 332.448 2.485 10 30 EEEELO C=CC(C)(C)CC(=O)N1CCC[C@@H]2C[N@@H+](Cc3cnon3)CC[C@@H]21 ZINC001490982433 1258536968 /nfs/dbraw/zinc/53/69/68/1258536968.db2.gz DIWKPVDWGJOHQC-ZBFHGGJFSA-N 1 2 332.448 2.485 10 30 EEEELO C=C[C@H](CC)CC(=O)N1CC[C@@]2(CC[N@H+](Cc3nc(C)no3)C2)C1 ZINC001671079688 1278396549 /nfs/dbraw/zinc/39/65/49/1278396549.db2.gz AWNMIUYPTGRAAN-CRAIPNDOSA-N 1 2 332.448 2.405 10 30 EEEELO C=C[C@H](CC)CC(=O)N1CC[C@@]2(CC[N@@H+](Cc3nc(C)no3)C2)C1 ZINC001671079688 1278396557 /nfs/dbraw/zinc/39/65/57/1278396557.db2.gz AWNMIUYPTGRAAN-CRAIPNDOSA-N 1 2 332.448 2.405 10 30 EEEELO C=CC(C)(C)CC(=O)N[C@@H]1CC[C@@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001488295920 1287212479 /nfs/dbraw/zinc/21/24/79/1287212479.db2.gz LBLKWKUUUVOFJI-HUUCEWRRSA-N 1 2 346.475 2.346 10 30 EEEELO C=CC(C)(C)CC(=O)N[C@@H]1CC[C@@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001488295920 1287212483 /nfs/dbraw/zinc/21/24/83/1287212483.db2.gz LBLKWKUUUVOFJI-HUUCEWRRSA-N 1 2 346.475 2.346 10 30 EEEELO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)Cc1cccc(OC)c1)O2 ZINC001273669019 1282825252 /nfs/dbraw/zinc/82/52/52/1282825252.db2.gz KZOAJMFBSJQOSL-SFHVURJKSA-N 1 2 344.455 2.163 10 30 EEEELO C=C(C)C(C)(C)C(=O)N1CCC[C@@](CO)([NH2+]Cc2coc(C)n2)C1 ZINC001273902837 1289728822 /nfs/dbraw/zinc/72/88/22/1289728822.db2.gz HNVMTQGGSLUDIP-GOSISDBHSA-N 1 2 335.448 2.028 10 30 EEEELO C#CCCCCC(=O)N[C@@H]1[C@@H]2CCC[N@H+](Cc3cnon3)[C@@H]2C1(C)C ZINC001489087639 1290390833 /nfs/dbraw/zinc/39/08/33/1290390833.db2.gz RIPKXYRUEVRZOZ-JQHSSLGASA-N 1 2 344.459 2.368 10 30 EEEELO C#CCCCCC(=O)N[C@@H]1[C@@H]2CCC[N@@H+](Cc3cnon3)[C@@H]2C1(C)C ZINC001489087639 1290390843 /nfs/dbraw/zinc/39/08/43/1290390843.db2.gz RIPKXYRUEVRZOZ-JQHSSLGASA-N 1 2 344.459 2.368 10 30 EEEELO Cc1nc([C@H](C)[NH+]2CCC3(C[C@@H]3NC(=O)C#CC(C)C)CC2)no1 ZINC001490590678 1291490751 /nfs/dbraw/zinc/49/07/51/1291490751.db2.gz PWLMNFBNCFQTJR-ZFWWWQNUSA-N 1 2 330.432 2.069 10 30 EEEELO C=CCOCC[N@@H+](C)C[C@H]1CCCN(C(=O)C(F)C(F)(F)F)C1 ZINC001490759037 1291685737 /nfs/dbraw/zinc/68/57/37/1291685737.db2.gz OTRZNPYDMHODJT-CHWSQXEVSA-N 1 2 340.361 2.260 10 30 EEEELO C=CCOCC[N@H+](C)C[C@H]1CCCN(C(=O)C(F)C(F)(F)F)C1 ZINC001490759037 1291685747 /nfs/dbraw/zinc/68/57/47/1291685747.db2.gz OTRZNPYDMHODJT-CHWSQXEVSA-N 1 2 340.361 2.260 10 30 EEEELO C=CCOCC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC001490759037 1291685754 /nfs/dbraw/zinc/68/57/54/1291685754.db2.gz OTRZNPYDMHODJT-CHWSQXEVSA-N 1 2 340.361 2.260 10 30 EEEELO C=CCOCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC001490759037 1291685766 /nfs/dbraw/zinc/68/57/66/1291685766.db2.gz OTRZNPYDMHODJT-CHWSQXEVSA-N 1 2 340.361 2.260 10 30 EEEELO C#CC[C@H](CCOC)NC(=O)NCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC000859014901 1294293243 /nfs/dbraw/zinc/29/32/43/1294293243.db2.gz PDAQAPXFNJZASJ-OAHLLOKOSA-N 1 2 347.463 2.048 10 30 EEEELO CC#CCCCC(=O)N[C@H]1C[C@H](C[NH2+]Cc2nnsc2Cl)C1 ZINC001277032924 1300960818 /nfs/dbraw/zinc/96/08/18/1300960818.db2.gz HNASAYVTZQKRBL-HAQNSBGRSA-N 1 2 340.880 2.370 10 30 EEEELO C#Cc1ccccc1CC(=O)NCC1([NH2+]Cc2ncc(CC)o2)CC1 ZINC001277234495 1301940322 /nfs/dbraw/zinc/94/03/22/1301940322.db2.gz XBVSCTMLUQMGSD-UHFFFAOYSA-N 1 2 337.423 2.199 10 30 EEEELO C=CC(C)(C)C(=O)N(C)C1C[NH+](C[C@H](O)COc2ccccc2C)C1 ZINC001277637494 1304056278 /nfs/dbraw/zinc/05/62/78/1304056278.db2.gz XPPFFPAKTFDVDX-KRWDZBQOSA-N 1 2 346.471 2.090 10 30 EEEELO C#CCO[C@@H](C)C(=O)NC1(C)CC[NH+](Cc2ncc(C3CC3)o2)CC1 ZINC001278052588 1305793149 /nfs/dbraw/zinc/79/31/49/1305793149.db2.gz YMKLRUFQMNJZFN-AWEZNQCLSA-N 1 2 345.443 2.061 10 30 EEEELO 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330.428 2.085 10 30 EEEELO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@@H](CSc2ccccc2)C1 ZINC000884161070 1202245924 /nfs/dbraw/zinc/24/59/24/1202245924.db2.gz VIYJZPVDSYTLHC-ZBFHGGJFSA-N 1 2 348.468 2.074 10 30 EEEELO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@@H](c2cccc(F)c2)C1(C)C ZINC000884438460 1202317055 /nfs/dbraw/zinc/31/70/55/1202317055.db2.gz AYWKNHRSVAZZNF-HOTGVXAUSA-N 1 2 348.418 2.367 10 30 EEEELO C=CC[C@H](OC(=O)Cc1c[nH+]cn1Cc1ccccc1)C(=O)OC ZINC000884513213 1202329680 /nfs/dbraw/zinc/32/96/80/1202329680.db2.gz CIAJACZEDCGHEA-INIZCTEOSA-N 1 2 328.368 2.135 10 30 EEEELO C=CCC(CC=C)C(=O)NC1(CO)CC[NH+](Cc2cc(C)on2)CC1 ZINC001274910279 1205205868 /nfs/dbraw/zinc/20/58/68/1205205868.db2.gz HOAPFDPXENQFJS-UHFFFAOYSA-N 1 2 347.459 2.195 10 30 EEEELO C#CCO[C@H](C)C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ncoc1C(C)C ZINC001275108539 1205258980 /nfs/dbraw/zinc/25/89/80/1205258980.db2.gz NQLXFRIKBDKKEI-CVEARBPZSA-N 1 2 347.459 2.259 10 30 EEEELO C#CCO[C@H](C)C(=O)N1CCC[C@H]1C[N@H+](C)Cc1ncoc1C(C)C 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340.374 2.466 10 30 EEEELO N#Cc1cccc(N2CC[NH+](C[C@H](O)c3ccccc3Cl)CC2)n1 ZINC000800372043 1234081063 /nfs/dbraw/zinc/08/10/63/1234081063.db2.gz CDTWSNGTDCIOOK-KRWDZBQOSA-N 1 2 342.830 2.462 10 30 EEEELO C=CC(C)(C)C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](Cc2ncnn2CC)C1 ZINC001491292380 1258901518 /nfs/dbraw/zinc/90/15/18/1258901518.db2.gz HSAVQCQMXPJYDY-LSDHHAIUSA-N 1 2 333.480 2.227 10 30 EEEELO C=CC(C)(C)C(=O)N[C@@H](C)[C@@H]1CCC[N@H+](Cc2ncnn2CC)C1 ZINC001491292380 1258901524 /nfs/dbraw/zinc/90/15/24/1258901524.db2.gz HSAVQCQMXPJYDY-LSDHHAIUSA-N 1 2 333.480 2.227 10 30 EEEELO C=CCCC1(C(=O)NCCNC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001491325864 1258953886 /nfs/dbraw/zinc/95/38/86/1258953886.db2.gz WKUMHGZYHFJGPS-UHFFFAOYSA-N 1 2 340.427 2.235 10 30 EEEELO C=C[C@](C)(CC)C(=O)N1CCC[C@H]([N@H+](C)CC(=O)Nc2ccon2)C1 ZINC001267112032 1276629288 /nfs/dbraw/zinc/62/92/88/1276629288.db2.gz VHQMNWLFOALUBW-KBXCAEBGSA-N 1 2 348.447 2.138 10 30 EEEELO C=C[C@](C)(CC)C(=O)N1CCC[C@H]([N@@H+](C)CC(=O)Nc2ccon2)C1 ZINC001267112032 1276629294 /nfs/dbraw/zinc/62/92/94/1276629294.db2.gz VHQMNWLFOALUBW-KBXCAEBGSA-N 1 2 348.447 2.138 10 30 EEEELO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)Cc1cccc(OC)c1)O2 ZINC001273669018 1282826256 /nfs/dbraw/zinc/82/62/56/1282826256.db2.gz KZOAJMFBSJQOSL-GOSISDBHSA-N 1 2 344.455 2.163 10 30 EEEELO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)C1(c2cccnc2)CC1 ZINC001273825420 1286487597 /nfs/dbraw/zinc/48/75/97/1286487597.db2.gz QNUHMSIEVHAJFU-FQEVSTJZSA-N 1 2 345.446 2.290 10 30 EEEELO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)C1(c2cccnc2)CC1 ZINC001273825420 1286487602 /nfs/dbraw/zinc/48/76/02/1286487602.db2.gz QNUHMSIEVHAJFU-FQEVSTJZSA-N 1 2 345.446 2.290 10 30 EEEELO C=CCC(CC=C)C(=O)N1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)[C@H]1C ZINC001488137009 1286807685 /nfs/dbraw/zinc/80/76/85/1286807685.db2.gz UFERTKSIIXRRDG-RHSMWYFYSA-N 1 2 344.459 2.216 10 30 EEEELO C=CCC(CC=C)C(=O)N1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)[C@H]1C ZINC001488137009 1286807702 /nfs/dbraw/zinc/80/77/02/1286807702.db2.gz 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331.460 2.028 10 30 EEEELO C=CCCCC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1cnn(CC)n1)C2 ZINC001277473553 1303560379 /nfs/dbraw/zinc/56/03/79/1303560379.db2.gz GCMHUQMJFCRQCO-IBGZPJMESA-N 1 2 345.491 2.469 10 30 EEEELO C=CCCCC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1cnn(CC)n1)C2 ZINC001277473553 1303560382 /nfs/dbraw/zinc/56/03/82/1303560382.db2.gz GCMHUQMJFCRQCO-IBGZPJMESA-N 1 2 345.491 2.469 10 30 EEEELO Cc1ccccc1OCCC[NH+]1CC(N(C)C(=O)C#CC2CC2)C1 ZINC001277593110 1303960360 /nfs/dbraw/zinc/96/03/60/1303960360.db2.gz AQKFNFVENSGRFR-UHFFFAOYSA-N 1 2 326.440 2.320 10 30 EEEELO C#CCN(C(=O)C(CC)CC)C1CC[NH+](Cc2cnns2)CC1 ZINC001278121863 1306005157 /nfs/dbraw/zinc/00/51/57/1306005157.db2.gz PDGKCWUMLBVYEV-UHFFFAOYSA-N 1 2 334.489 2.401 10 30 EEEELO C#CCN(C(=O)[C@H](C)CCCC)C1CC[NH+](Cc2cn(C)nn2)CC1 ZINC001278144249 1306085379 /nfs/dbraw/zinc/08/53/79/1306085379.db2.gz HPTXCLKZCPFZFK-MRXNPFEDSA-N 1 2 345.491 2.068 10 30 EEEELO C=CCOCC(=O)N[C@@]1(C)CC[N@H+](Cc2nc3ccc(F)cc3o2)C1 ZINC001278369325 1309851663 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268119743 /nfs/dbraw/zinc/11/97/43/268119743.db2.gz DATBBLDLPOLVRU-UHFFFAOYSA-N 1 2 346.438 2.436 10 30 EEEELO COc1ccc(C#N)cc1C[N@@H+]1CCO[C@@H](Cn2nc(C)cc2C)C1 ZINC000159995673 311348798 /nfs/dbraw/zinc/34/87/98/311348798.db2.gz QWUODVGOOBCDOO-GOSISDBHSA-N 1 2 340.427 2.281 10 30 EEEELO COc1ccc(C#N)cc1C[N@H+]1CCO[C@@H](Cn2nc(C)cc2C)C1 ZINC000159995673 311348799 /nfs/dbraw/zinc/34/87/99/311348799.db2.gz QWUODVGOOBCDOO-GOSISDBHSA-N 1 2 340.427 2.281 10 30 EEEELO Cc1ccccc1NC(=O)[C@H](C)[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000355099118 312394178 /nfs/dbraw/zinc/39/41/78/312394178.db2.gz MRUCWGOROOFWJZ-INIZCTEOSA-N 1 2 349.438 2.411 10 30 EEEELO CC[C@](C)(C(=O)OC)[N@@H+](Cc1cnc2c(C#N)cnn2c1)CC1CC1 ZINC000581548318 324277399 /nfs/dbraw/zinc/27/73/99/324277399.db2.gz CYKDYEJYZYLNRV-GOSISDBHSA-N 1 2 341.415 2.155 10 30 EEEELO CC[C@](C)(C(=O)OC)[N@H+](Cc1cnc2c(C#N)cnn2c1)CC1CC1 ZINC000581548318 324277400 /nfs/dbraw/zinc/27/74/00/324277400.db2.gz CYKDYEJYZYLNRV-GOSISDBHSA-N 1 2 341.415 2.155 10 30 EEEELO C[C@H]1CN(c2ccc(CNc3ccc(C#N)c(N)n3)c[nH+]2)C[C@H](C)O1 ZINC000519552914 448785219 /nfs/dbraw/zinc/78/52/19/448785219.db2.gz NLYCQVPYWIJZGK-STQMWFEESA-N 1 2 338.415 2.156 10 30 EEEELO C=C[C@@H]1OCCC[C@H]1NC(=O)NCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC000624163767 450729921 /nfs/dbraw/zinc/72/99/21/450729921.db2.gz JZDXGGRRCPDFHP-CABCVRRESA-N 1 2 347.463 2.353 10 30 EEEELO Cc1cn2c([nH+]1)[C@H](CNC(=O)N[C@H](C)c1cnn(C)c1C)CCC2 ZINC000328655858 465090564 /nfs/dbraw/zinc/09/05/64/465090564.db2.gz NEPAQGWAOZUWSW-OCCSQVGLSA-N 1 2 330.436 2.376 10 30 EEEELO COC(=O)c1cn([C@H]2CC[N@H+](CC#Cc3ccccc3Cl)C2)nn1 ZINC000355035882 465220918 /nfs/dbraw/zinc/22/09/18/465220918.db2.gz IUJAHZLXGSALOP-AWEZNQCLSA-N 1 2 344.802 2.017 10 30 EEEELO COC(=O)c1cn([C@H]2CC[N@@H+](CC#Cc3ccccc3Cl)C2)nn1 ZINC000355035882 465220924 /nfs/dbraw/zinc/22/09/24/465220924.db2.gz IUJAHZLXGSALOP-AWEZNQCLSA-N 1 2 344.802 2.017 10 30 EEEELO CS(=O)(=O)[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC000329135020 465244384 /nfs/dbraw/zinc/24/43/84/465244384.db2.gz ZYXGJFSPLRHTRC-RBSFLKMASA-N 1 2 328.478 2.173 10 30 EEEELO C#CCC[NH+]1CCN(C(=O)CCC(=O)c2ccc(F)c(F)c2)CC1 ZINC000087235101 462597859 /nfs/dbraw/zinc/59/78/59/462597859.db2.gz GVCXDGVPWGEATR-UHFFFAOYSA-N 1 2 334.366 2.095 10 30 EEEELO C[C@@H](C(=O)NC1CCCC1)N1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC000131636698 462819422 /nfs/dbraw/zinc/81/94/22/462819422.db2.gz LHAVNEKXXCCLPN-AWEZNQCLSA-N 1 2 346.500 2.185 10 30 EEEELO N#Cc1cccnc1N1CC[NH+](C[C@H](O)c2c(F)cccc2F)CC1 ZINC000076463437 462863689 /nfs/dbraw/zinc/86/36/89/462863689.db2.gz FISCYDDTJJDWKO-INIZCTEOSA-N 1 2 344.365 2.087 10 30 EEEELO CCn1cc(C[N@@H+]2CCCN(C(=O)c3sccc3C#N)CC2)cn1 ZINC000069491808 463259510 /nfs/dbraw/zinc/25/95/10/463259510.db2.gz ISLJSKYNBQHFLL-UHFFFAOYSA-N 1 2 343.456 2.184 10 30 EEEELO CCn1cc(C[N@H+]2CCCN(C(=O)c3sccc3C#N)CC2)cn1 ZINC000069491808 463259514 /nfs/dbraw/zinc/25/95/14/463259514.db2.gz ISLJSKYNBQHFLL-UHFFFAOYSA-N 1 2 343.456 2.184 10 30 EEEELO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCc2cncnc2C1 ZINC000069704310 463306892 /nfs/dbraw/zinc/30/68/92/463306892.db2.gz TVWXYTIZWVZTSC-CQSZACIVSA-N 1 2 342.468 2.500 10 30 EEEELO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCc2cncnc2C1 ZINC000069704310 463306896 /nfs/dbraw/zinc/30/68/96/463306896.db2.gz TVWXYTIZWVZTSC-CQSZACIVSA-N 1 2 342.468 2.500 10 30 EEEELO Cc1c(C[NH+]2CCN(C(=O)c3ccc(C)cc3)CC2)cc(C#N)n1C ZINC000097050890 463311981 /nfs/dbraw/zinc/31/19/81/463311981.db2.gz JCDSYHGTJQFJTF-UHFFFAOYSA-N 1 2 336.439 2.472 10 30 EEEELO N#Cc1cccc(OCC[N@H+]2CCC[C@@H]2C(=O)Nc2nccs2)c1 ZINC000069776268 463323097 /nfs/dbraw/zinc/32/30/97/463323097.db2.gz XEOIGNVHDRMYJW-OAHLLOKOSA-N 1 2 342.424 2.497 10 30 EEEELO N#Cc1cccc(OCC[N@@H+]2CCC[C@@H]2C(=O)Nc2nccs2)c1 ZINC000069776268 463323099 /nfs/dbraw/zinc/32/30/99/463323099.db2.gz XEOIGNVHDRMYJW-OAHLLOKOSA-N 1 2 342.424 2.497 10 30 EEEELO Cc1ccc(NC(=O)[C@H](C)ON=C(N)[C@H](C)n2cc[nH+]c2)c(C)c1 ZINC000072286197 463498908 /nfs/dbraw/zinc/49/89/08/463498908.db2.gz DORMVWGJMNGPJQ-KBPBESRZSA-N 1 2 329.404 2.377 10 30 EEEELO CCc1nnc([C@H]2C[N@H+](CCCOc3ccc(C#N)cc3)CCO2)[nH]1 ZINC000083830118 463563254 /nfs/dbraw/zinc/56/32/54/463563254.db2.gz APSNHFLVLSGOIU-MRXNPFEDSA-N 1 2 341.415 2.081 10 30 EEEELO CCc1nnc([C@H]2C[N@@H+](CCCOc3ccc(C#N)cc3)CCO2)[nH]1 ZINC000083830118 463563257 /nfs/dbraw/zinc/56/32/57/463563257.db2.gz APSNHFLVLSGOIU-MRXNPFEDSA-N 1 2 341.415 2.081 10 30 EEEELO CN1CC[NH+]([C@@H]2CCCCN(c3ncc(C#N)cc3Cl)C2)CC1 ZINC000127024348 463677437 /nfs/dbraw/zinc/67/74/37/463677437.db2.gz LPIXPNGOKQYCKW-OAHLLOKOSA-N 1 2 333.867 2.213 10 30 EEEELO Cn1cc(C#N)cc1C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000177608412 463748523 /nfs/dbraw/zinc/74/85/23/463748523.db2.gz LYCPDXZYWCJLLA-VMPITWQZSA-N 1 2 334.423 2.368 10 30 EEEELO Cc1nc(N2CCN(C)[C@@H](c3[nH+]ccn3C)C2)c(Cl)cc1C#N ZINC000292348205 464203790 /nfs/dbraw/zinc/20/37/90/464203790.db2.gz BULOSGMKJXEPQY-CQSZACIVSA-N 1 2 330.823 2.142 10 30 EEEELO Cc1nnc([C@H]2C[N@H+](Cc3ccc(N(C)CCC#N)cc3)CCO2)[nH]1 ZINC000180114933 464246626 /nfs/dbraw/zinc/24/66/26/464246626.db2.gz OOJFJFSUUSSIEX-QGZVFWFLSA-N 1 2 340.431 2.037 10 30 EEEELO Cc1nnc([C@H]2C[N@@H+](Cc3ccc(N(C)CCC#N)cc3)CCO2)[nH]1 ZINC000180114933 464246631 /nfs/dbraw/zinc/24/66/31/464246631.db2.gz OOJFJFSUUSSIEX-QGZVFWFLSA-N 1 2 340.431 2.037 10 30 EEEELO Cc1nc([C@H]2C[N@H+](Cc3ccc(N(C)CCC#N)cc3)CCO2)n[nH]1 ZINC000180114933 464246636 /nfs/dbraw/zinc/24/66/36/464246636.db2.gz OOJFJFSUUSSIEX-QGZVFWFLSA-N 1 2 340.431 2.037 10 30 EEEELO Cc1nc([C@H]2C[N@@H+](Cc3ccc(N(C)CCC#N)cc3)CCO2)n[nH]1 ZINC000180114933 464246641 /nfs/dbraw/zinc/24/66/41/464246641.db2.gz OOJFJFSUUSSIEX-QGZVFWFLSA-N 1 2 340.431 2.037 10 30 EEEELO COC(=O)c1ccccc1N(C)C(=O)C[NH+]1CCC(C)(C#N)CC1 ZINC000272608255 464677485 /nfs/dbraw/zinc/67/74/85/464677485.db2.gz RVPLCMRHLMTZQF-UHFFFAOYSA-N 1 2 329.400 2.062 10 30 EEEELO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCC(c2n[nH]c(CC)n2)CC1 ZINC000190673063 464699909 /nfs/dbraw/zinc/69/99/09/464699909.db2.gz YQNXHNZHKIGBOW-AWEZNQCLSA-N 1 2 333.480 2.360 10 30 EEEELO Cc1ccc([C@@H](CNc2nc(C)cc(C#N)n2)[NH+]2CCOCC2)cc1 ZINC000286198448 464836950 /nfs/dbraw/zinc/83/69/50/464836950.db2.gz FQOBSGKXRLPBHR-GOSISDBHSA-N 1 2 337.427 2.451 10 30 EEEELO CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000356512383 465427208 /nfs/dbraw/zinc/42/72/08/465427208.db2.gz MJYUSGJYQZSSEU-GOSISDBHSA-N 1 2 346.431 2.308 10 30 EEEELO CC[C@]1(CO)CCCN(C(=O)NC[C@@H]2CCCn3cc(C)[nH+]c32)C1 ZINC000330268490 465590960 /nfs/dbraw/zinc/59/09/60/465590960.db2.gz IQZHWUUEANDXHM-YJBOKZPZSA-N 1 2 334.464 2.467 10 30 EEEELO Cn1cc(C[NH+]2CCN(c3cc(C#N)c4ccccc4n3)CC2)cn1 ZINC000361008180 465700136 /nfs/dbraw/zinc/70/01/36/465700136.db2.gz CTWODNYSGMVNRY-UHFFFAOYSA-N 1 2 332.411 2.162 10 30 EEEELO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)CCCCC#N)CC1 ZINC000594008329 468457658 /nfs/dbraw/zinc/45/76/58/468457658.db2.gz ODFFMKNEDIOWAS-UHFFFAOYSA-N 1 2 342.443 2.373 10 30 EEEELO C=CCOc1ccc(CN2CC[NH+](Cc3cnn(C)c3)CC2)cc1 ZINC000353456743 465896108 /nfs/dbraw/zinc/89/61/08/465896108.db2.gz WVBLOQCHVKNSKX-UHFFFAOYSA-N 1 2 326.444 2.303 10 30 EEEELO N#Cc1ccc(C[N@@H+](CC(=O)N2CCCC2)C[C@@H]2CCCO2)cc1F ZINC000361831624 466330318 /nfs/dbraw/zinc/33/03/18/466330318.db2.gz WKPVBHKOTJBQCT-KRWDZBQOSA-N 1 2 345.418 2.301 10 30 EEEELO N#Cc1ccc(C[N@H+](CC(=O)N2CCCC2)C[C@@H]2CCCO2)cc1F ZINC000361831624 466330323 /nfs/dbraw/zinc/33/03/23/466330323.db2.gz WKPVBHKOTJBQCT-KRWDZBQOSA-N 1 2 345.418 2.301 10 30 EEEELO COc1cc(CNC(=O)NCc2[nH+]ccn2CC(C)C)ccc1C#N ZINC000358001355 466378406 /nfs/dbraw/zinc/37/84/06/466378406.db2.gz JMIHDHCEBRNTLU-UHFFFAOYSA-N 1 2 341.415 2.419 10 30 EEEELO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C2(c3cc(F)cc(C#N)c3)CC2)C1 ZINC000354317370 466469892 /nfs/dbraw/zinc/46/98/92/466469892.db2.gz GDKCIEVQXSJXSH-CQSZACIVSA-N 1 2 338.386 2.479 10 30 EEEELO COc1cc(C#N)ccc1OCC[NH2+][C@H](c1nnc[nH]1)c1ccccc1 ZINC000363884295 466645558 /nfs/dbraw/zinc/64/55/58/466645558.db2.gz RODCZAYRZIKTEB-SFHVURJKSA-N 1 2 349.394 2.443 10 30 EEEELO CCCCCCCCC[NH2+]C1(C(=O)OC)CCS(=O)(=O)CC1 ZINC000364449960 466701000 /nfs/dbraw/zinc/70/10/00/466701000.db2.gz LAZXMHZFYXJGLL-UHFFFAOYSA-N 1 2 333.494 2.447 10 30 EEEELO C=CCCCN(C)C(=O)C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000410689236 466729643 /nfs/dbraw/zinc/72/96/43/466729643.db2.gz PKULBYHLMDUIEA-UHFFFAOYSA-N 1 2 346.475 2.327 10 30 EEEELO C[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(C#N)s2)[C@H]1c1ccccc1 ZINC000373820741 466931620 /nfs/dbraw/zinc/93/16/20/466931620.db2.gz YTHHNSSLJZONBP-GOEBONIOSA-N 1 2 347.465 2.343 10 30 EEEELO N#CCC[C@@H](Nc1nc(NCCO)c2ccccc2[nH+]1)c1ccccc1 ZINC000533498462 468206463 /nfs/dbraw/zinc/20/64/63/468206463.db2.gz CDYJGGGQTVHYTF-QGZVFWFLSA-N 1 2 347.422 2.335 10 30 EEEELO COc1cc(NC[C@H](O)C[N@H+](C)CCC#N)cc(OC)c1C(C)C ZINC000567892646 468231797 /nfs/dbraw/zinc/23/17/97/468231797.db2.gz BMFXJUCXQVZJLZ-HNNXBMFYSA-N 1 2 335.448 2.445 10 30 EEEELO COc1cc(NC[C@H](O)C[N@@H+](C)CCC#N)cc(OC)c1C(C)C ZINC000567892646 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335.492 2.038 10 30 EEEELO C=CCC(C)(C)C(=O)N1CCC[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001293868875 1328830106 /nfs/dbraw/zinc/83/01/06/1328830106.db2.gz GTGHUIMHCISUIL-INIZCTEOSA-N 1 2 346.475 2.373 10 30 EEEELO C=C(C)CCC(=O)N(C)C1C[NH+](C[C@@H](O)COc2cccc(C)c2)C1 ZINC001671138542 1319896678 /nfs/dbraw/zinc/89/66/78/1319896678.db2.gz ZEBOETZKDXTUBC-GOSISDBHSA-N 1 2 346.471 2.234 10 30 EEEELO C=CCC1(C(=O)N[C@@H](C)C2C[NH+](CC(=O)NCC3CC3)C2)CCCC1 ZINC001276469661 1322159365 /nfs/dbraw/zinc/15/93/65/1322159365.db2.gz XEWIYRXSUNRVNG-HNNXBMFYSA-N 1 2 347.503 2.086 10 30 EEEELO C=CCn1c(N(CC)C2CC(C)(C)C2)nnc1[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001262987708 1322416579 /nfs/dbraw/zinc/41/65/79/1322416579.db2.gz DYCQNEBIKPIAOF-DNVCBOLYSA-N 1 2 347.507 2.391 10 30 EEEELO C=CCn1c(N(CC)C2CC(C)(C)C2)nnc1[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC001262987708 1322416584 /nfs/dbraw/zinc/41/65/84/1322416584.db2.gz DYCQNEBIKPIAOF-DNVCBOLYSA-N 1 2 347.507 2.391 10 30 EEEELO 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JJOIHMPEVVCOJJ-GFCCVEGCSA-N 1 2 338.477 2.120 10 30 EEEELO C=CCC(C)(C)C(=O)N[C@H](C)C[N@@H+](C)CC(=O)Nc1nccs1 ZINC001483389980 1190432814 /nfs/dbraw/zinc/43/28/14/1190432814.db2.gz JJOIHMPEVVCOJJ-GFCCVEGCSA-N 1 2 338.477 2.120 10 30 EEEELO C=CCCC(=O)N1CC[C@@]2(CC[N@@H+](Cc3ncnn3C(C)C)C2)C1 ZINC001671064304 1190691411 /nfs/dbraw/zinc/69/14/11/1190691411.db2.gz DYSBRAUAEJINLC-GOSISDBHSA-N 1 2 331.464 2.250 10 30 EEEELO C=CCCC(=O)N1CC[C@@]2(CC[N@H+](Cc3ncnn3C(C)C)C2)C1 ZINC001671064304 1190691414 /nfs/dbraw/zinc/69/14/14/1190691414.db2.gz DYSBRAUAEJINLC-GOSISDBHSA-N 1 2 331.464 2.250 10 30 EEEELO CO[C@H](C)C(=O)N[C@]12CCC[C@H]1[N@H+](Cc1cc(F)ccc1C#N)CC2 ZINC001486140923 1193694453 /nfs/dbraw/zinc/69/44/53/1193694453.db2.gz OTLPHYXJKNXLOB-XVSDVWIESA-N 1 2 345.418 2.345 10 30 EEEELO CO[C@H](C)C(=O)N[C@]12CCC[C@H]1[N@@H+](Cc1cc(F)ccc1C#N)CC2 ZINC001486140923 1193694454 /nfs/dbraw/zinc/69/44/54/1193694454.db2.gz OTLPHYXJKNXLOB-XVSDVWIESA-N 1 2 345.418 2.345 10 30 EEEELO COCC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccccc1OCC(C)C ZINC001483688364 1190755006 /nfs/dbraw/zinc/75/50/06/1190755006.db2.gz OPPDPPAORAIWSY-KRWDZBQOSA-N 1 2 344.455 2.175 10 30 EEEELO COCC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccccc1OCC(C)C ZINC001483688364 1190755008 /nfs/dbraw/zinc/75/50/08/1190755008.db2.gz OPPDPPAORAIWSY-KRWDZBQOSA-N 1 2 344.455 2.175 10 30 EEEELO Cc1noc([C@@H](C)[NH2+]C2(CNC(=O)CC#Cc3ccccc3)CC2)n1 ZINC001483794039 1191033490 /nfs/dbraw/zinc/03/34/90/1191033490.db2.gz OMVUTZAFVRLFSU-CQSZACIVSA-N 1 2 338.411 2.119 10 30 EEEELO C=CCC(C)(C)C(=O)N1CCC[C@H]1C[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC001483945709 1191126907 /nfs/dbraw/zinc/12/69/07/1191126907.db2.gz FQMCYSRBBMNTKP-AWEZNQCLSA-N 1 2 348.495 2.111 10 30 EEEELO C#CCOCCC(=O)N[C@@]1(C)CC[N@@H+](Cc2cc(C(C)(C)C)on2)C1 ZINC001484044509 1191171108 /nfs/dbraw/zinc/17/11/08/1191171108.db2.gz SPHLRLCOOKQCTJ-IBGZPJMESA-N 1 2 347.459 2.093 10 30 EEEELO C#CCOCCC(=O)N[C@@]1(C)CC[N@H+](Cc2cc(C(C)(C)C)on2)C1 ZINC001484044509 1191171109 /nfs/dbraw/zinc/17/11/09/1191171109.db2.gz SPHLRLCOOKQCTJ-IBGZPJMESA-N 1 2 347.459 2.093 10 30 EEEELO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@]1(C)CCC[N@H+](Cc2ccon2)C1 ZINC001484172597 1191251812 /nfs/dbraw/zinc/25/18/12/1191251812.db2.gz WXMPJUMXWDBRGC-LNLFQRSKSA-N 1 2 347.459 2.374 10 30 EEEELO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@]1(C)CCC[N@@H+](Cc2ccon2)C1 ZINC001484172597 1191251813 /nfs/dbraw/zinc/25/18/13/1191251813.db2.gz WXMPJUMXWDBRGC-LNLFQRSKSA-N 1 2 347.459 2.374 10 30 EEEELO C=C1CCC(C(=O)NC[C@@]2(O)CC[N@@H+](Cc3csc(C)n3)C2)CC1 ZINC001484237866 1191282678 /nfs/dbraw/zinc/28/26/78/1191282678.db2.gz FHQGDTRGTJYOPW-SFHVURJKSA-N 1 2 349.500 2.251 10 30 EEEELO C=C1CCC(C(=O)NC[C@@]2(O)CC[N@H+](Cc3csc(C)n3)C2)CC1 ZINC001484237866 1191282680 /nfs/dbraw/zinc/28/26/80/1191282680.db2.gz FHQGDTRGTJYOPW-SFHVURJKSA-N 1 2 349.500 2.251 10 30 EEEELO C=CCCC(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2Cc1cn(C(C)C)nn1 ZINC001484454152 1191357096 /nfs/dbraw/zinc/35/70/96/1191357096.db2.gz RVFKHWZXRYGVAB-DLBZAZTESA-N 1 2 331.464 2.391 10 30 EEEELO C=CCCC(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2Cc1cn(C(C)C)nn1 ZINC001484454152 1191357098 /nfs/dbraw/zinc/35/70/98/1191357098.db2.gz RVFKHWZXRYGVAB-DLBZAZTESA-N 1 2 331.464 2.391 10 30 EEEELO C#CCC[N@H+]1CCOC[C@H]1CNC(=O)CC(C)(C)CC(F)(F)F ZINC001484606779 1191439442 /nfs/dbraw/zinc/43/94/42/1191439442.db2.gz DXRBDVMBQQFSOQ-CYBMUJFWSA-N 1 2 334.382 2.195 10 30 EEEELO C#CCC[N@@H+]1CCOC[C@H]1CNC(=O)CC(C)(C)CC(F)(F)F ZINC001484606779 1191439444 /nfs/dbraw/zinc/43/94/44/1191439444.db2.gz DXRBDVMBQQFSOQ-CYBMUJFWSA-N 1 2 334.382 2.195 10 30 EEEELO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)C1(c2ccccn2)CC1 ZINC001484823080 1191541635 /nfs/dbraw/zinc/54/16/35/1191541635.db2.gz SKPIXCHCAABROQ-LJQANCHMSA-N 1 2 345.446 2.290 10 30 EEEELO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)C1(c2ccccn2)CC1 ZINC001484823080 1191541636 /nfs/dbraw/zinc/54/16/36/1191541636.db2.gz SKPIXCHCAABROQ-LJQANCHMSA-N 1 2 345.446 2.290 10 30 EEEELO C=CCCC(=O)N1CCC[C@@](CO)([NH2+]Cc2csc(Cl)n2)C1 ZINC001484834657 1191546624 /nfs/dbraw/zinc/54/66/24/1191546624.db2.gz AWVNPVAEVVMXBF-OAHLLOKOSA-N 1 2 343.880 2.206 10 30 EEEELO C=C[C@@H](CC)CC(=O)NCc1ccc2c(c1)C[N@H+]([C@H](C)C(=O)NC)C2 ZINC001484874095 1191558149 /nfs/dbraw/zinc/55/81/49/1191558149.db2.gz OILANJBGACEUAL-CABCVRRESA-N 1 2 343.471 2.355 10 30 EEEELO C=C[C@@H](CC)CC(=O)NCc1ccc2c(c1)C[N@@H+]([C@H](C)C(=O)NC)C2 ZINC001484874095 1191558150 /nfs/dbraw/zinc/55/81/50/1191558150.db2.gz OILANJBGACEUAL-CABCVRRESA-N 1 2 343.471 2.355 10 30 EEEELO C=C[C@@](C)(O)CC(=O)N1CCC[C@H]1C[N@@H+](C)Cc1nc(C)c(C)o1 ZINC001485053996 1191633177 /nfs/dbraw/zinc/63/31/77/1191633177.db2.gz VZRCZYORVOSJKB-MAUKXSAKSA-N 1 2 335.448 2.041 10 30 EEEELO C=C[C@@](C)(O)CC(=O)N1CCC[C@H]1C[N@H+](C)Cc1nc(C)c(C)o1 ZINC001485053996 1191633178 /nfs/dbraw/zinc/63/31/78/1191633178.db2.gz VZRCZYORVOSJKB-MAUKXSAKSA-N 1 2 335.448 2.041 10 30 EEEELO C#Cc1ccccc1CC(=O)NC[C@H](C)[N@H+](C)[C@H](C)c1ncccn1 ZINC001485377842 1191765701 /nfs/dbraw/zinc/76/57/01/1191765701.db2.gz MZSUIBIWLXQVEH-JKSUJKDBSA-N 1 2 336.439 2.198 10 30 EEEELO C#Cc1ccccc1CC(=O)NC[C@H](C)[N@@H+](C)[C@H](C)c1ncccn1 ZINC001485377842 1191765703 /nfs/dbraw/zinc/76/57/03/1191765703.db2.gz MZSUIBIWLXQVEH-JKSUJKDBSA-N 1 2 336.439 2.198 10 30 EEEELO C=CC(C)(C)C(=O)NC1(CCO)C[NH+](Cc2ccc(COC)cc2)C1 ZINC001485413135 1191779766 /nfs/dbraw/zinc/77/97/66/1191779766.db2.gz GUGODZAHQUBGSX-UHFFFAOYSA-N 1 2 346.471 2.098 10 30 EEEELO C=CCC(CC=C)C(=O)NC[C@H]1CCCCC[N@H+]1Cc1cnn(C)n1 ZINC001485476412 1191804967 /nfs/dbraw/zinc/80/49/67/1191804967.db2.gz LAJAAABICFTLCU-GOSISDBHSA-N 1 2 345.491 2.444 10 30 EEEELO C=CCC(CC=C)C(=O)NC[C@H]1CCCCC[N@@H+]1Cc1cnn(C)n1 ZINC001485476412 1191804969 /nfs/dbraw/zinc/80/49/69/1191804969.db2.gz LAJAAABICFTLCU-GOSISDBHSA-N 1 2 345.491 2.444 10 30 EEEELO CCn1nnc(C)c1C[N@@H+]1CCC[C@@H](NC(=O)C#CC(C)(C)C)[C@@H]1C ZINC001486173861 1193713627 /nfs/dbraw/zinc/71/36/27/1193713627.db2.gz NSZIDMNXEYNSEX-JKSUJKDBSA-N 1 2 345.491 2.125 10 30 EEEELO CCn1nnc(C)c1C[N@H+]1CCC[C@@H](NC(=O)C#CC(C)(C)C)[C@@H]1C ZINC001486173861 1193713629 /nfs/dbraw/zinc/71/36/29/1193713629.db2.gz NSZIDMNXEYNSEX-JKSUJKDBSA-N 1 2 345.491 2.125 10 30 EEEELO C=C[C@@H](CC)CC(=O)N(C)C[C@@H]1CCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001486562136 1194076129 /nfs/dbraw/zinc/07/61/29/1194076129.db2.gz QYWWZUHKUSCMEY-HOTGVXAUSA-N 1 2 346.475 2.312 10 30 EEEELO CC#CCCCC(=O)NC1CC(CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001486613753 1194116104 /nfs/dbraw/zinc/11/61/04/1194116104.db2.gz PLWVKWSSVNUGBF-KLAILNCOSA-N 1 2 344.459 2.039 10 30 EEEELO CCc1sc(C(=O)N(C)C[C@@H]2CC[N@@H+]2CC#CCOC)cc1C ZINC001691674794 1197473429 /nfs/dbraw/zinc/47/34/29/1197473429.db2.gz MDRQDUCEEXPEHY-HNNXBMFYSA-N 1 2 334.485 2.415 10 30 EEEELO CCc1sc(C(=O)N(C)C[C@@H]2CC[N@H+]2CC#CCOC)cc1C ZINC001691674794 1197473431 /nfs/dbraw/zinc/47/34/31/1197473431.db2.gz MDRQDUCEEXPEHY-HNNXBMFYSA-N 1 2 334.485 2.415 10 30 EEEELO CC(C)[C@@H](O)C(=O)N(CC[N@H+](C)Cc1cc(C#N)ccc1F)C(C)C ZINC001411190358 1198882008 /nfs/dbraw/zinc/88/20/08/1198882008.db2.gz QSQCSCZOZONMEL-GOSISDBHSA-N 1 2 349.450 2.383 10 30 EEEELO CC(C)[C@@H](O)C(=O)N(CC[N@@H+](C)Cc1cc(C#N)ccc1F)C(C)C ZINC001411190358 1198882012 /nfs/dbraw/zinc/88/20/12/1198882012.db2.gz QSQCSCZOZONMEL-GOSISDBHSA-N 1 2 349.450 2.383 10 30 EEEELO CCCCc1noc(C[NH2+]C[C@@H](NC(=O)[C@H](C)C#N)C(C)(C)C)n1 ZINC001411205147 1198909080 /nfs/dbraw/zinc/90/90/80/1198909080.db2.gz DDSYFTBSYIKQEY-CHWSQXEVSA-N 1 2 335.452 2.192 10 30 EEEELO C#CCCCC(=O)N1CC[C@]2(CC[N@@H+](Cc3nnc(C(C)C)[nH]3)C2)C1 ZINC001671070235 1199024734 /nfs/dbraw/zinc/02/47/34/1199024734.db2.gz MOOCBLWNWICXRL-IBGZPJMESA-N 1 2 343.475 2.156 10 30 EEEELO C#CCCCC(=O)N1CC[C@]2(CC[N@H+](Cc3nnc(C(C)C)[nH]3)C2)C1 ZINC001671070235 1199024738 /nfs/dbraw/zinc/02/47/38/1199024738.db2.gz MOOCBLWNWICXRL-IBGZPJMESA-N 1 2 343.475 2.156 10 30 EEEELO N#Cc1csc(C[N@H+]2CCC[C@@H](C(=O)Nc3ccccn3)C2)n1 ZINC000811455443 1200069066 /nfs/dbraw/zinc/06/90/66/1200069066.db2.gz HAJOCTMBTIEANR-GFCCVEGCSA-N 1 2 327.413 2.260 10 30 EEEELO N#Cc1csc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccccn3)C2)n1 ZINC000811455443 1200069072 /nfs/dbraw/zinc/06/90/72/1200069072.db2.gz HAJOCTMBTIEANR-GFCCVEGCSA-N 1 2 327.413 2.260 10 30 EEEELO C#CCNC(=O)CC[N@@H+](C)Cc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000878929215 1200753480 /nfs/dbraw/zinc/75/34/80/1200753480.db2.gz DJOKGHGATIOYIK-UHFFFAOYSA-N 1 2 338.333 2.153 10 30 EEEELO C#CCNC(=O)CC[N@H+](C)Cc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000878929215 1200753483 /nfs/dbraw/zinc/75/34/83/1200753483.db2.gz DJOKGHGATIOYIK-UHFFFAOYSA-N 1 2 338.333 2.153 10 30 EEEELO C[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)[C@@H]1O)c1cccc(C#N)c1O ZINC000866355198 1201498711 /nfs/dbraw/zinc/49/87/11/1201498711.db2.gz VOBHSNJGAGYCEU-DHSIGJKJSA-N 1 2 330.428 2.482 10 30 EEEELO C[C@H]([NH2+]C[C@H]1CS(=O)(=O)c2ccccc21)c1cccc(C#N)c1O ZINC000866367524 1201501458 /nfs/dbraw/zinc/50/14/58/1201501458.db2.gz ZWVKDAPEXHWXSW-JSGCOSHPSA-N 1 2 342.420 2.486 10 30 EEEELO C=C(Cl)CNC(=O)NC[C@H]1C[N@H+](Cc2ccc(C)cc2)CCO1 ZINC000868275402 1201780840 /nfs/dbraw/zinc/78/08/40/1201780840.db2.gz QZYCKPQDYPEGFD-INIZCTEOSA-N 1 2 337.851 2.248 10 30 EEEELO C=C(Cl)CNC(=O)NC[C@H]1C[N@@H+](Cc2ccc(C)cc2)CCO1 ZINC000868275402 1201780842 /nfs/dbraw/zinc/78/08/42/1201780842.db2.gz QZYCKPQDYPEGFD-INIZCTEOSA-N 1 2 337.851 2.248 10 30 EEEELO C#CC[C@@H]1CCN(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)C1 ZINC000889475876 1204635953 /nfs/dbraw/zinc/63/59/53/1204635953.db2.gz RPPNIGBYDOLVCZ-OAHLLOKOSA-N 1 2 344.484 2.190 10 30 EEEELO C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)C[C@@H](C)CC(C)C)C2)CC1 ZINC001280693322 1205087248 /nfs/dbraw/zinc/08/72/48/1205087248.db2.gz UOXSNTCCQVAVCH-RBUKOAKNSA-N 1 2 333.520 2.301 10 30 EEEELO C=C(Br)C[N@H+]1CC[C@H](NC(=O)CCOCC)C[C@@H]1C ZINC001274596542 1205091222 /nfs/dbraw/zinc/09/12/22/1205091222.db2.gz JAWLLUPVKWEIBJ-STQMWFEESA-N 1 2 333.270 2.291 10 30 EEEELO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)CCOCC)C[C@@H]1C ZINC001274596542 1205091226 /nfs/dbraw/zinc/09/12/26/1205091226.db2.gz JAWLLUPVKWEIBJ-STQMWFEESA-N 1 2 333.270 2.291 10 30 EEEELO C=CCCC(=O)N1CC(N(C)C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001299368765 1205139592 /nfs/dbraw/zinc/13/95/92/1205139592.db2.gz BZPKYSNXHJONAN-MRXNPFEDSA-N 1 2 332.448 2.106 10 30 EEEELO C=CCNC(=O)C[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)CCCC ZINC001274849201 1205186496 /nfs/dbraw/zinc/18/64/96/1205186496.db2.gz ZSFORUWBXLRFIH-SFHVURJKSA-N 1 2 343.471 2.194 10 30 EEEELO C=CCNC(=O)C[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)CCCC ZINC001274849201 1205186498 /nfs/dbraw/zinc/18/64/98/1205186498.db2.gz ZSFORUWBXLRFIH-SFHVURJKSA-N 1 2 343.471 2.194 10 30 EEEELO C=C1CC(C)(C(=O)N[C@@H](C)C[N@H+](C)CC(=O)Nc2ccc(O)cc2)C1 ZINC001275647714 1205462987 /nfs/dbraw/zinc/46/29/87/1205462987.db2.gz DYYURBSPCYNPEX-AWEZNQCLSA-N 1 2 345.443 2.124 10 30 EEEELO C=C1CC(C)(C(=O)N[C@@H](C)C[N@@H+](C)CC(=O)Nc2ccc(O)cc2)C1 ZINC001275647714 1205462988 /nfs/dbraw/zinc/46/29/88/1205462988.db2.gz DYYURBSPCYNPEX-AWEZNQCLSA-N 1 2 345.443 2.124 10 30 EEEELO N#Cc1cncc(C[NH+]2CCN(c3ncnc4sccc43)CC2)c1 ZINC000929868655 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EEEELO N#Cc1ccc(-c2nnc(C[N@@H+]3CCc4cc[nH]c(=O)c4C3)o2)cc1 ZINC000369604321 166294244 /nfs/dbraw/zinc/29/42/44/166294244.db2.gz UEWJSMASOFXYCL-UHFFFAOYSA-N 1 2 333.351 2.267 10 30 EEEELO N#Cc1ccc(-c2nnc(C[N@H+]3CCc4cc[nH]c(=O)c4C3)o2)cc1 ZINC000369604321 166294245 /nfs/dbraw/zinc/29/42/45/166294245.db2.gz UEWJSMASOFXYCL-UHFFFAOYSA-N 1 2 333.351 2.267 10 30 EEEELO N#Cc1cscc1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000432058183 268319147 /nfs/dbraw/zinc/31/91/47/268319147.db2.gz VBXQJMLKDBFRNF-UHFFFAOYSA-N 1 2 336.420 2.449 10 30 EEEELO Cc1nc(N2CCN(c3ncccc3C#N)CC2)c2c([nH+]1)CCCC2 ZINC000267973930 282010783 /nfs/dbraw/zinc/01/07/83/282010783.db2.gz NSUJREVOVHDSOO-UHFFFAOYSA-N 1 2 334.427 2.257 10 30 EEEELO N#Cc1ccnc(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)c1 ZINC000339253556 465169499 /nfs/dbraw/zinc/16/94/99/465169499.db2.gz DMPZINYHJWJFSV-UHFFFAOYSA-N 1 2 333.351 2.481 10 30 EEEELO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153399540 462646424 /nfs/dbraw/zinc/64/64/24/462646424.db2.gz QRYBCMHZINXRHC-SCLBCKFNSA-N 1 2 344.415 2.396 10 30 EEEELO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153399540 462646425 /nfs/dbraw/zinc/64/64/25/462646425.db2.gz QRYBCMHZINXRHC-SCLBCKFNSA-N 1 2 344.415 2.396 10 30 EEEELO COc1cc(C)c(C[NH+]2CCN(C(=O)C(C)(C)C#N)CC2)cc1OC ZINC000065493894 462780973 /nfs/dbraw/zinc/78/09/73/462780973.db2.gz CDQQABZJBMLPOC-UHFFFAOYSA-N 1 2 345.443 2.206 10 30 EEEELO CC(C)c1nnc2n1CC[N@@H+](CCC(=O)Nc1sccc1C#N)C2 ZINC000069696967 463303349 /nfs/dbraw/zinc/30/33/49/463303349.db2.gz ADFHJLPQUQWJJH-UHFFFAOYSA-N 1 2 344.444 2.179 10 30 EEEELO CC(C)c1nnc2n1CC[N@H+](CCC(=O)Nc1sccc1C#N)C2 ZINC000069696967 463303353 /nfs/dbraw/zinc/30/33/53/463303353.db2.gz ADFHJLPQUQWJJH-UHFFFAOYSA-N 1 2 344.444 2.179 10 30 EEEELO N#Cc1ccccc1/C=C/C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000042497853 463567708 /nfs/dbraw/zinc/56/77/08/463567708.db2.gz AMZLGZAKNACTQU-BQYQJAHWSA-N 1 2 329.363 2.469 10 30 EEEELO Cc1ncc(C[NH+]2CCN(C(=O)c3cccc(CC#N)c3)CC2)s1 ZINC000171862906 463938927 /nfs/dbraw/zinc/93/89/27/463938927.db2.gz MDIBRLWTBCICOH-UHFFFAOYSA-N 1 2 340.452 2.476 10 30 EEEELO Cc1nc(C[C@H]2CCC[N@H+](CC(=O)Nc3sccc3C#N)C2)no1 ZINC000195517729 464066663 /nfs/dbraw/zinc/06/66/63/464066663.db2.gz WVPJNUHTCBWIJF-GFCCVEGCSA-N 1 2 345.428 2.204 10 30 EEEELO Cc1nc(C[C@H]2CCC[N@@H+](CC(=O)Nc3sccc3C#N)C2)no1 ZINC000195517729 464066668 /nfs/dbraw/zinc/06/66/68/464066668.db2.gz WVPJNUHTCBWIJF-GFCCVEGCSA-N 1 2 345.428 2.204 10 30 EEEELO Cc1ncc(C[NH+]2CCN(c3nnc(C)c(C)c3C#N)CC2)s1 ZINC000263953598 464250811 /nfs/dbraw/zinc/25/08/11/464250811.db2.gz BNRRUUJSDSJLKS-UHFFFAOYSA-N 1 2 328.445 2.052 10 30 EEEELO N#Cc1ccc(CC(=O)N2CC[NH2+][C@@H](c3ccccc3Cl)C2)cn1 ZINC000599910631 468411511 /nfs/dbraw/zinc/41/15/11/468411511.db2.gz QDBUXQVITWIYPH-QGZVFWFLSA-N 1 2 340.814 2.322 10 30 EEEELO C=CC[C@@H](CO)NC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000273415706 464714943 /nfs/dbraw/zinc/71/49/43/464714943.db2.gz LSYSRJHNATXKLQ-STQMWFEESA-N 1 2 338.477 2.434 10 30 EEEELO C=CC[C@@H](CO)NC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000273415706 464714953 /nfs/dbraw/zinc/71/49/53/464714953.db2.gz LSYSRJHNATXKLQ-STQMWFEESA-N 1 2 338.477 2.434 10 30 EEEELO Cc1oc(NC(=O)C[N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)c(C#N)c1C ZINC000248028858 464724115 /nfs/dbraw/zinc/72/41/15/464724115.db2.gz PSWZRHNSAIDCIB-KSSFIOAISA-N 1 2 331.416 2.334 10 30 EEEELO Cc1oc(NC(=O)C[N@H+]2CC[C@@]3(O)CCCC[C@H]3C2)c(C#N)c1C ZINC000248028858 464724123 /nfs/dbraw/zinc/72/41/23/464724123.db2.gz PSWZRHNSAIDCIB-KSSFIOAISA-N 1 2 331.416 2.334 10 30 EEEELO CCN(C[C@H](C)C#N)C(=O)CN1CCC[C@@H]1c1[nH]c2c([nH+]1)CCCC2 ZINC000275506119 464777384 /nfs/dbraw/zinc/77/73/84/464777384.db2.gz ARLHNPOOEUTIFO-RHSMWYFYSA-N 1 2 343.475 2.434 10 30 EEEELO N#CCCCOc1cccnc1NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000597084371 468437772 /nfs/dbraw/zinc/43/77/72/468437772.db2.gz SILHKDMROLTSJY-LBPRGKRZSA-N 1 2 325.372 2.231 10 30 EEEELO N#CCCCOc1cccnc1NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000597084371 468437773 /nfs/dbraw/zinc/43/77/73/468437773.db2.gz SILHKDMROLTSJY-LBPRGKRZSA-N 1 2 325.372 2.231 10 30 EEEELO C=CCCN(C)C(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000361115020 465773169 /nfs/dbraw/zinc/77/31/69/465773169.db2.gz HSYWUESLZWJAKU-CVEARBPZSA-N 1 2 349.862 2.236 10 30 EEEELO C=CCCN(C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000361115020 465773172 /nfs/dbraw/zinc/77/31/72/465773172.db2.gz HSYWUESLZWJAKU-CVEARBPZSA-N 1 2 349.862 2.236 10 30 EEEELO CC(=O)c1ccc(NC(=O)NC[C@H]2CN(C)CC[N@@H+]2C)cc1Cl ZINC000330802029 465808891 /nfs/dbraw/zinc/80/88/91/465808891.db2.gz JFFGGQACPXNHFT-ZDUSSCGKSA-N 1 2 338.839 2.114 10 30 EEEELO CC(=O)c1ccc(NC(=O)NC[C@H]2CN(C)CC[N@H+]2C)cc1Cl ZINC000330802029 465808895 /nfs/dbraw/zinc/80/88/95/465808895.db2.gz JFFGGQACPXNHFT-ZDUSSCGKSA-N 1 2 338.839 2.114 10 30 EEEELO C[C@H]([NH2+][C@H](Cc1ccccc1)c1ncco1)C(=O)NC1(C#N)CCC1 ZINC000594056203 468474020 /nfs/dbraw/zinc/47/40/20/468474020.db2.gz SPWLZFRECIDASX-GOEBONIOSA-N 1 2 338.411 2.499 10 30 EEEELO N#CCC(=O)N1CC[NH+](CCOc2cc(Cl)cc(Cl)c2)CC1 ZINC000580841004 468483675 /nfs/dbraw/zinc/48/36/75/468483675.db2.gz BLLUQECGDWSFLC-UHFFFAOYSA-N 1 2 342.226 2.430 10 30 EEEELO N#Cc1ccc(C[N@@H+](CC(=O)N2CCCC2)C[C@H]2CCCO2)cc1F ZINC000361831630 466330073 /nfs/dbraw/zinc/33/00/73/466330073.db2.gz WKPVBHKOTJBQCT-QGZVFWFLSA-N 1 2 345.418 2.301 10 30 EEEELO N#Cc1ccc(C[N@H+](CC(=O)N2CCCC2)C[C@H]2CCCO2)cc1F ZINC000361831630 466330077 /nfs/dbraw/zinc/33/00/77/466330077.db2.gz WKPVBHKOTJBQCT-QGZVFWFLSA-N 1 2 345.418 2.301 10 30 EEEELO C=CCOc1ccc(CNC(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000368210202 466588174 /nfs/dbraw/zinc/58/81/74/466588174.db2.gz YPIWQPWTZHAVHU-AWEZNQCLSA-N 1 2 326.400 2.331 10 30 EEEELO C=CCOc1ccc(CNC(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000368210202 466588182 /nfs/dbraw/zinc/58/81/82/466588182.db2.gz YPIWQPWTZHAVHU-AWEZNQCLSA-N 1 2 326.400 2.331 10 30 EEEELO C=CCN1C(=O)c2ccc(C(=O)N[C@H](CC)c3[nH]cc[nH+]3)cc2C1=O ZINC000442816825 467577842 /nfs/dbraw/zinc/57/78/42/467577842.db2.gz YCYPHZXOTUFUKA-CQSZACIVSA-N 1 2 338.367 2.073 10 30 EEEELO C[C@@H]([NH2+]Cc1nc(C#N)cs1)C(=O)N1c2ccccc2C[C@H]1C ZINC000449644873 467675700 /nfs/dbraw/zinc/67/57/00/467675700.db2.gz HCQWKSUJLLRPJO-VXGBXAGGSA-N 1 2 326.425 2.471 10 30 EEEELO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000450318299 467825179 /nfs/dbraw/zinc/82/51/79/467825179.db2.gz VQTWKAYUEHNAIP-ZCPGHIKRSA-N 1 2 336.382 2.417 10 30 EEEELO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000450318299 467825186 /nfs/dbraw/zinc/82/51/86/467825186.db2.gz VQTWKAYUEHNAIP-ZCPGHIKRSA-N 1 2 336.382 2.417 10 30 EEEELO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000576143515 468160752 /nfs/dbraw/zinc/16/07/52/468160752.db2.gz WXLCSVUFTIIPJX-RDTXWAMCSA-N 1 2 343.427 2.303 10 30 EEEELO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000576143515 468160756 /nfs/dbraw/zinc/16/07/56/468160756.db2.gz WXLCSVUFTIIPJX-RDTXWAMCSA-N 1 2 343.427 2.303 10 30 EEEELO Cn1cc(C#N)cc1C(=O)N(CCn1cc[nH+]c1)C1CCSCC1 ZINC000597641293 468624259 /nfs/dbraw/zinc/62/42/59/468624259.db2.gz QMWUKSTYISIWJH-UHFFFAOYSA-N 1 2 343.456 2.131 10 30 EEEELO Cc1cn2c([nH+]1)C[C@H](C(=O)N1CCc3c(CC#N)cccc3C1)CC2 ZINC000600791357 468659398 /nfs/dbraw/zinc/65/93/98/468659398.db2.gz YLEONRIHKPOLKT-MRXNPFEDSA-N 1 2 334.423 2.405 10 30 EEEELO CC(C)c1ccc2ncc(C#N)c(NC[C@H]3CN(C)CC[N@@H+]3C)c2c1 ZINC000583673737 468737071 /nfs/dbraw/zinc/73/70/71/468737071.db2.gz UHFTUZJPFQCRPY-KRWDZBQOSA-N 1 2 337.471 2.309 10 30 EEEELO CC(C)c1ccc2ncc(C#N)c(NC[C@H]3CN(C)CC[N@H+]3C)c2c1 ZINC000583673737 468737075 /nfs/dbraw/zinc/73/70/75/468737075.db2.gz UHFTUZJPFQCRPY-KRWDZBQOSA-N 1 2 337.471 2.309 10 30 EEEELO C=C(C)C[C@H]([NH2+]C[C@@H](C)c1ccc(S(C)(=O)=O)cc1)C(=O)OC ZINC000602735327 469041090 /nfs/dbraw/zinc/04/10/90/469041090.db2.gz VERYMZRZFQUGHD-CJNGLKHVSA-N 1 2 339.457 2.291 10 30 EEEELO C=CCOc1ccc(C[N@@H+]2CCO[C@](C)(C(=O)OCC)C2)cc1OC ZINC000602750488 469053119 /nfs/dbraw/zinc/05/31/19/469053119.db2.gz RECWWIBNBYDBOB-IBGZPJMESA-N 1 2 349.427 2.414 10 30 EEEELO C=CCOc1ccc(C[N@H+]2CCO[C@](C)(C(=O)OCC)C2)cc1OC ZINC000602750488 469053124 /nfs/dbraw/zinc/05/31/24/469053124.db2.gz RECWWIBNBYDBOB-IBGZPJMESA-N 1 2 349.427 2.414 10 30 EEEELO CN1CCCC[C@@H]([N@H+](C)CC(=O)Nc2ccc(C#N)c(Cl)c2)C1=O ZINC000601970318 469120051 /nfs/dbraw/zinc/12/00/51/469120051.db2.gz OFCFMKACECTPFR-OAHLLOKOSA-N 1 2 348.834 2.093 10 30 EEEELO CN1CCCC[C@@H]([N@@H+](C)CC(=O)Nc2ccc(C#N)c(Cl)c2)C1=O ZINC000601970318 469120053 /nfs/dbraw/zinc/12/00/53/469120053.db2.gz OFCFMKACECTPFR-OAHLLOKOSA-N 1 2 348.834 2.093 10 30 EEEELO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@H](OC(F)F)C1 ZINC000611580672 469286747 /nfs/dbraw/zinc/28/67/47/469286747.db2.gz ZMHITPDBKKDMJK-STQMWFEESA-N 1 2 329.391 2.421 10 30 EEEELO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@H](OC(F)F)C1 ZINC000611580672 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ZINC001534867737 1123436096 /nfs/dbraw/zinc/43/60/96/1123436096.db2.gz PWHZGHNKGGZBSL-CVEARBPZSA-N 1 2 346.475 2.400 10 30 EEEELO C=C1CC(C)(C(=O)N2CC[C@H]2CNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001534882524 1123441504 /nfs/dbraw/zinc/44/15/04/1123441504.db2.gz FAEUYEWMGCPWMJ-HNNXBMFYSA-N 1 2 344.459 2.000 10 30 EEEELO C#CCN(C)c1nnc([C@@H]2CCOC2)n1CCCc1cccc(C)[nH+]1 ZINC001539178863 1124048691 /nfs/dbraw/zinc/04/86/91/1124048691.db2.gz KYZSMNBNWAOPNV-MRXNPFEDSA-N 1 2 339.443 2.188 10 30 EEEELO C#CCC1(C(=O)NCC2C[NH+](Cc3cc(OC)no3)C2)CCCCC1 ZINC001567849824 1124138529 /nfs/dbraw/zinc/13/85/29/1124138529.db2.gz MPTGYNHYGQLXRQ-UHFFFAOYSA-N 1 2 345.443 2.205 10 30 EEEELO C=CCCO[C@@H](C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cnccc1C ZINC001567852112 1124138860 /nfs/dbraw/zinc/13/88/60/1124138860.db2.gz SUKVVSQAKOQRFA-SZMVWBNQSA-N 1 2 329.444 2.156 10 30 EEEELO C=CCCO[C@@H](C)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cnccc1C ZINC001567852112 1124138863 /nfs/dbraw/zinc/13/88/63/1124138863.db2.gz SUKVVSQAKOQRFA-SZMVWBNQSA-N 1 2 329.444 2.156 10 30 EEEELO C=CCOCCCC(=O)N(C)[C@H]1CC[N@H+](Cc2nc(C)oc2C)C1 ZINC001567908482 1124170097 /nfs/dbraw/zinc/17/00/97/1124170097.db2.gz MDGCXICKFAJLLK-INIZCTEOSA-N 1 2 335.448 2.307 10 30 EEEELO C=CCOCCCC(=O)N(C)[C@H]1CC[N@@H+](Cc2nc(C)oc2C)C1 ZINC001567908482 1124170101 /nfs/dbraw/zinc/17/01/01/1124170101.db2.gz MDGCXICKFAJLLK-INIZCTEOSA-N 1 2 335.448 2.307 10 30 EEEELO CC(C)C#CC(=O)NC[C@@H]1C[N@H+](Cc2ccc(CF)cc2)CCO1 ZINC001568218516 1124361795 /nfs/dbraw/zinc/36/17/95/1124361795.db2.gz PSAJEHBPFUGXJS-GOSISDBHSA-N 1 2 332.419 2.133 10 30 EEEELO CC(C)C#CC(=O)NC[C@@H]1C[N@@H+](Cc2ccc(CF)cc2)CCO1 ZINC001568218516 1124361799 /nfs/dbraw/zinc/36/17/99/1124361799.db2.gz PSAJEHBPFUGXJS-GOSISDBHSA-N 1 2 332.419 2.133 10 30 EEEELO C=CCOCC[N@@H+]1CCO[C@@H](CNC(=O)C2CCCCCCC2)C1 ZINC001568220883 1124365688 /nfs/dbraw/zinc/36/56/88/1124365688.db2.gz AHEPOZYOEBRXHQ-SFHVURJKSA-N 1 2 338.492 2.367 10 30 EEEELO C=CCOCC[N@H+]1CCO[C@@H](CNC(=O)C2CCCCCCC2)C1 ZINC001568220883 1124365692 /nfs/dbraw/zinc/36/56/92/1124365692.db2.gz AHEPOZYOEBRXHQ-SFHVURJKSA-N 1 2 338.492 2.367 10 30 EEEELO C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@@]2(C)CCCc3ccccc32)C1 ZINC001568227097 1124370960 /nfs/dbraw/zinc/37/09/60/1124370960.db2.gz SGHGNSSINGYBBG-XLIONFOSSA-N 1 2 328.456 2.284 10 30 EEEELO C=CC[N@H+]1CCO[C@H](CNC(=O)[C@@]2(C)CCCc3ccccc32)C1 ZINC001568227097 1124370962 /nfs/dbraw/zinc/37/09/62/1124370962.db2.gz SGHGNSSINGYBBG-XLIONFOSSA-N 1 2 328.456 2.284 10 30 EEEELO Cc1nnc([C@H](C)N2CC[NH+]([C@@H](C)C(=O)NC3CCCC3)CC2)o1 ZINC000328985486 539765572 /nfs/dbraw/zinc/76/55/72/539765572.db2.gz GNVXZHAOLZLZJC-STQMWFEESA-N 1 2 335.452 2.344 10 30 EEEELO C=CCNc1nc[nH+]c(N2CCN(c3ccccc3F)CC2)c1N ZINC000040709127 213373509 /nfs/dbraw/zinc/37/35/09/213373509.db2.gz CXXVJETZHPNFSC-UHFFFAOYSA-N 1 2 328.395 2.122 10 30 EEEELO Cc1cc(CO[NH+]=C(N)c2ccc(N3CCCCC3)nc2)ncn1 ZINC000292079603 238182732 /nfs/dbraw/zinc/18/27/32/238182732.db2.gz MKCYQGNTSDUBTC-UHFFFAOYSA-N 1 2 326.404 2.007 10 30 EEEELO COC(=O)c1cnc([C@@H](C)[NH2+]Cc2cnc3ccc(C#N)cn23)s1 ZINC000425355112 241137816 /nfs/dbraw/zinc/13/78/16/241137816.db2.gz UGGRDMJYHVCPJH-SNVBAGLBSA-N 1 2 341.396 2.300 10 30 EEEELO N#CCC1(CS(=O)(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000451063882 242988155 /nfs/dbraw/zinc/98/81/55/242988155.db2.gz NDYCJASMAQWLNC-UHFFFAOYSA-N 1 2 344.440 2.045 10 30 EEEELO COc1cc(C#N)ccc1C[N@@H+]1CCCC[C@@H]1CCS(C)(=O)=O ZINC000366422953 286191978 /nfs/dbraw/zinc/19/19/78/286191978.db2.gz TXMATGAKOGOIFC-MRXNPFEDSA-N 1 2 336.457 2.356 10 30 EEEELO COc1cc(C#N)ccc1C[N@H+]1CCCC[C@@H]1CCS(C)(=O)=O ZINC000366422953 286191979 /nfs/dbraw/zinc/19/19/79/286191979.db2.gz TXMATGAKOGOIFC-MRXNPFEDSA-N 1 2 336.457 2.356 10 30 EEEELO Cc1[nH+]c2ccccc2n1CC(=O)NCCOc1ccc(C#N)cc1 ZINC000173899933 159788739 /nfs/dbraw/zinc/78/87/39/159788739.db2.gz NJUWCLBWHXSGCH-UHFFFAOYSA-N 1 2 334.379 2.412 10 30 EEEELO N#Cc1cc(NCc2[nH+]ccn2CC(F)(F)F)cc(N)c1[N+](=O)[O-] ZINC000342058219 161035785 /nfs/dbraw/zinc/03/57/85/161035785.db2.gz QZVKAWSOARZGBI-UHFFFAOYSA-N 1 2 340.265 2.420 10 30 EEEELO Cc1cccc2ncc(C[NH+]3CCN(c4cccc(C#N)n4)CC3)n21 ZINC000355439066 163189964 /nfs/dbraw/zinc/18/99/64/163189964.db2.gz FVKIJNMXYKBXLF-UHFFFAOYSA-N 1 2 332.411 2.232 10 30 EEEELO N#Cc1ccc(OCC[N@H+]2CCOC[C@H]2C[C@@H](O)c2ccco2)cc1 ZINC000159372087 225204811 /nfs/dbraw/zinc/20/48/11/225204811.db2.gz LQFQRSQDNQXPNP-SJLPKXTDSA-N 1 2 342.395 2.355 10 30 EEEELO N#Cc1ccc(OCC[N@@H+]2CCOC[C@H]2C[C@@H](O)c2ccco2)cc1 ZINC000159372087 225204813 /nfs/dbraw/zinc/20/48/13/225204813.db2.gz LQFQRSQDNQXPNP-SJLPKXTDSA-N 1 2 342.395 2.355 10 30 EEEELO N#Cc1csc(C[NH2+]Cc2ccnc(OC3CCOCC3)c2)n1 ZINC000575097607 320086201 /nfs/dbraw/zinc/08/62/01/320086201.db2.gz FLHIBVNQESLRLI-UHFFFAOYSA-N 1 2 330.413 2.257 10 30 EEEELO Cc1cc(NCCNC(=O)c2cc(C)c(C#N)cn2)nc(C(C)C)[nH+]1 ZINC000529846487 448984732 /nfs/dbraw/zinc/98/47/32/448984732.db2.gz QAZNOJOJWWWPQF-UHFFFAOYSA-N 1 2 338.415 2.325 10 30 EEEELO Cn1cc(C#N)cc1C(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000341184345 465039099 /nfs/dbraw/zinc/03/90/99/465039099.db2.gz WYWXWVKOFXAXFA-KBPBESRZSA-N 1 2 346.431 2.301 10 30 EEEELO Cn1cc(C#N)cc1C(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000341184345 465039103 /nfs/dbraw/zinc/03/91/03/465039103.db2.gz WYWXWVKOFXAXFA-KBPBESRZSA-N 1 2 346.431 2.301 10 30 EEEELO Cc1cc(CN2C[C@@H](F)C[C@H]2CNc2cc(C)[nH+]c(C)c2C#N)on1 ZINC000328628083 465078173 /nfs/dbraw/zinc/07/81/73/465078173.db2.gz GYIXHRCYOUYGSK-GJZGRUSLSA-N 1 2 343.406 2.313 10 30 EEEELO Cc1cn2c([nH+]1)[C@H](CNC(=O)N[C@@H](C)c1cnn(C)c1C)CCC2 ZINC000328655857 465091555 /nfs/dbraw/zinc/09/15/55/465091555.db2.gz NEPAQGWAOZUWSW-JSGCOSHPSA-N 1 2 330.436 2.376 10 30 EEEELO C=CCCN(C)C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000342386367 465316302 /nfs/dbraw/zinc/31/63/02/465316302.db2.gz PDTWGWVNFUMWMN-GASCZTMLSA-N 1 2 332.448 2.413 10 30 EEEELO CCN(CCC#N)C(=O)C[N@@H+]1C[C@@H](C2CCCCC2)C[C@@H]1C(=O)OC ZINC000076180128 462818854 /nfs/dbraw/zinc/81/88/54/462818854.db2.gz FTZGLPJWOZFDGU-DLBZAZTESA-N 1 2 349.475 2.192 10 30 EEEELO CCN(CCC#N)C(=O)C[N@H+]1C[C@@H](C2CCCCC2)C[C@@H]1C(=O)OC ZINC000076180128 462818859 /nfs/dbraw/zinc/81/88/59/462818859.db2.gz FTZGLPJWOZFDGU-DLBZAZTESA-N 1 2 349.475 2.192 10 30 EEEELO C=CCCCN(C)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000077542539 463003329 /nfs/dbraw/zinc/00/33/29/463003329.db2.gz TVJQQBZAAWJWTC-SFHVURJKSA-N 1 2 331.460 2.495 10 30 EEEELO C=CCCCN(C)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000077542539 463003333 /nfs/dbraw/zinc/00/33/33/463003333.db2.gz TVJQQBZAAWJWTC-SFHVURJKSA-N 1 2 331.460 2.495 10 30 EEEELO C#Cc1cccc(NC(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)c1 ZINC000156447390 463027070 /nfs/dbraw/zinc/02/70/70/463027070.db2.gz XFNLPWZNTQHTNS-GOSISDBHSA-N 1 2 327.428 2.387 10 30 EEEELO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCO[C@@]2(CCSC2)C1 ZINC000521869530 468336785 /nfs/dbraw/zinc/33/67/85/468336785.db2.gz DPTPIVVHIPHVHO-DYVFJYSZSA-N 1 2 331.441 2.093 10 30 EEEELO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCO[C@@]2(CCSC2)C1 ZINC000521869530 468336789 /nfs/dbraw/zinc/33/67/89/468336789.db2.gz DPTPIVVHIPHVHO-DYVFJYSZSA-N 1 2 331.441 2.093 10 30 EEEELO Cc1nnc(C[N@@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)n1C ZINC000095995500 463133695 /nfs/dbraw/zinc/13/36/95/463133695.db2.gz LZFXFDXHRLYNOT-UHFFFAOYSA-N 1 2 335.415 2.028 10 30 EEEELO Cc1nnc(C[N@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)n1C ZINC000095995500 463133697 /nfs/dbraw/zinc/13/36/97/463133697.db2.gz LZFXFDXHRLYNOT-UHFFFAOYSA-N 1 2 335.415 2.028 10 30 EEEELO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)c2cc(C#N)cn2C)CC1 ZINC000157887072 463180679 /nfs/dbraw/zinc/18/06/79/463180679.db2.gz JJXRZUKJGGTGFG-CYBMUJFWSA-N 1 2 328.441 2.477 10 30 EEEELO N#Cc1ccccc1OCC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000027544718 463193595 /nfs/dbraw/zinc/19/35/95/463193595.db2.gz IECAHTGGTKRZRE-UHFFFAOYSA-N 1 2 346.390 2.498 10 30 EEEELO N#CC1(NC(=O)C[N@@H+]2CCC[C@@H]2CC(=O)c2ccco2)CCCC1 ZINC000084429343 463602839 /nfs/dbraw/zinc/60/28/39/463602839.db2.gz BUMYWWZXPQGJHV-CQSZACIVSA-N 1 2 329.400 2.269 10 30 EEEELO N#CC1(NC(=O)C[N@H+]2CCC[C@@H]2CC(=O)c2ccco2)CCCC1 ZINC000084429343 463602845 /nfs/dbraw/zinc/60/28/45/463602845.db2.gz BUMYWWZXPQGJHV-CQSZACIVSA-N 1 2 329.400 2.269 10 30 EEEELO C#CCC(CC#C)C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000287381673 463883796 /nfs/dbraw/zinc/88/37/96/463883796.db2.gz CEZVZIYGGYTRCX-HXUWFJFHSA-N 1 2 338.451 2.147 10 30 EEEELO C=C(C)[C@H]1OCC[C@H]1C(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000278284080 463961103 /nfs/dbraw/zinc/96/11/03/463961103.db2.gz BYQYFAVPTRLQMB-QZTJIDSGSA-N 1 2 332.419 2.451 10 30 EEEELO C=CCC1(C(=O)NC[C@@H]2CCCN2c2cc(NC)[nH+]cn2)CCC1 ZINC000188423736 464276412 /nfs/dbraw/zinc/27/64/12/464276412.db2.gz XHGSVUBUNYTBMK-AWEZNQCLSA-N 1 2 329.448 2.350 10 30 EEEELO C=CCC1(C(=O)NC[C@@H]2CCCN2c2cc(NC)nc[nH+]2)CCC1 ZINC000188423736 464276417 /nfs/dbraw/zinc/27/64/17/464276417.db2.gz XHGSVUBUNYTBMK-AWEZNQCLSA-N 1 2 329.448 2.350 10 30 EEEELO COc1ccc(C[N@@H+]2CCCNC(=O)[C@@H]2C)cc1OCCCC#N ZINC000189092218 464431316 /nfs/dbraw/zinc/43/13/16/464431316.db2.gz QYLQKQVYOWTYMX-AWEZNQCLSA-N 1 2 331.416 2.088 10 30 EEEELO COc1ccc(C[N@H+]2CCCNC(=O)[C@@H]2C)cc1OCCCC#N ZINC000189092218 464431318 /nfs/dbraw/zinc/43/13/18/464431318.db2.gz QYLQKQVYOWTYMX-AWEZNQCLSA-N 1 2 331.416 2.088 10 30 EEEELO CN(C)S(=O)(=O)[C@@H]1CCC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000285712321 464667918 /nfs/dbraw/zinc/66/79/18/464667918.db2.gz TYOXHQDDIWJIPF-MRXNPFEDSA-N 1 2 340.876 2.047 10 30 EEEELO CN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000285712321 464667922 /nfs/dbraw/zinc/66/79/22/464667922.db2.gz TYOXHQDDIWJIPF-MRXNPFEDSA-N 1 2 340.876 2.047 10 30 EEEELO C=CC[N@@H+](Cc1ccc2c(c1)OC(F)(F)O2)[C@@H]1CCS(=O)(=O)C1 ZINC000351871846 465409309 /nfs/dbraw/zinc/40/93/09/465409309.db2.gz AAVQTMQVZJZLBC-GFCCVEGCSA-N 1 2 345.367 2.183 10 30 EEEELO C=CC[N@H+](Cc1ccc2c(c1)OC(F)(F)O2)[C@@H]1CCS(=O)(=O)C1 ZINC000351871846 465409315 /nfs/dbraw/zinc/40/93/15/465409315.db2.gz AAVQTMQVZJZLBC-GFCCVEGCSA-N 1 2 345.367 2.183 10 30 EEEELO CCOC(=O)C[C@H](NCc1c[nH+]c2ccc(C#N)cn12)C(F)(F)F ZINC000597193815 468477534 /nfs/dbraw/zinc/47/75/34/468477534.db2.gz XUYKSNIXXPNJLE-LBPRGKRZSA-N 1 2 340.305 2.180 10 30 EEEELO C#CCCS(=O)(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000367290648 466241614 /nfs/dbraw/zinc/24/16/14/466241614.db2.gz LGGNOEQHXGMILI-CABCVRRESA-N 1 2 344.839 2.167 10 30 EEEELO C#CCCS(=O)(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000367290648 466241623 /nfs/dbraw/zinc/24/16/23/466241623.db2.gz LGGNOEQHXGMILI-CABCVRRESA-N 1 2 344.839 2.167 10 30 EEEELO C#CCOc1ccc(F)cc1NC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000377816676 467144746 /nfs/dbraw/zinc/14/47/46/467144746.db2.gz KBWDDGJNAUTQGM-GFCCVEGCSA-N 1 2 328.347 2.240 10 30 EEEELO C#CCOc1ccc(F)cc1NC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000377816676 467144747 /nfs/dbraw/zinc/14/47/47/467144747.db2.gz KBWDDGJNAUTQGM-GFCCVEGCSA-N 1 2 328.347 2.240 10 30 EEEELO CCn1cc[nH+]c1[C@@H](C)NC(=O)NCCOc1ccc(C#N)cc1 ZINC000454575519 467602032 /nfs/dbraw/zinc/60/20/32/467602032.db2.gz YHIYCHPMIIWJON-CYBMUJFWSA-N 1 2 327.388 2.214 10 30 EEEELO C[C@H](Oc1ccccc1C#N)C(=O)Nc1nc(C[NH+](C)C)cs1 ZINC000457300785 467797835 /nfs/dbraw/zinc/79/78/35/467797835.db2.gz XQIBYNKIXNGGIL-NSHDSACASA-N 1 2 330.413 2.482 10 30 EEEELO C/C=C/c1ccc(OCC(=O)N[C@](C)(C#N)C[NH+](C)C)c(OC)c1 ZINC000516230111 468019724 /nfs/dbraw/zinc/01/97/24/468019724.db2.gz LGAIXJAQQXLIGC-IPLHWJFFSA-N 1 2 331.416 2.067 10 30 EEEELO O=C(NCC#CCO)[C@H](c1c(F)cccc1Cl)[NH+]1CCCCC1 ZINC000517756699 468096963 /nfs/dbraw/zinc/09/69/63/468096963.db2.gz LCZVYRWUVRPNJY-INIZCTEOSA-N 1 2 338.810 2.118 10 30 EEEELO CC[C@@H]([NH2+]Cc1nc(C#N)cs1)c1ccccc1OCC(=O)NC ZINC000589310347 468142200 /nfs/dbraw/zinc/14/22/00/468142200.db2.gz UUNUVNXCFSITMK-CQSZACIVSA-N 1 2 344.440 2.380 10 30 EEEELO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc(-c2nc(C3CC3)no2)cc1 ZINC000566307847 468149030 /nfs/dbraw/zinc/14/90/30/468149030.db2.gz BBMLLLSIHPXKDO-SFHVURJKSA-N 1 2 339.399 2.188 10 30 EEEELO C[N@@H+]1CCO[C@H](CSc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000591954173 468581405 /nfs/dbraw/zinc/58/14/05/468581405.db2.gz ZRXWZCNWZLNJHC-ZDUSSCGKSA-N 1 2 344.396 2.437 10 30 EEEELO C[N@H+]1CCO[C@H](CSc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000591954173 468581410 /nfs/dbraw/zinc/58/14/10/468581410.db2.gz ZRXWZCNWZLNJHC-ZDUSSCGKSA-N 1 2 344.396 2.437 10 30 EEEELO COc1c(C)[nH+]cnc1N1CCN(c2cccc(F)c2C#N)CC1 ZINC000594544689 468618210 /nfs/dbraw/zinc/61/82/10/468618210.db2.gz XNHDZULSEOPBQT-UHFFFAOYSA-N 1 2 327.363 2.131 10 30 EEEELO C[C@@H]([NH2+]Cc1ccncc1C#N)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000592092930 468619805 /nfs/dbraw/zinc/61/98/05/468619805.db2.gz JLAQNEZMFPXLQS-CYBMUJFWSA-N 1 2 344.440 2.054 10 30 EEEELO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000594750979 468672910 /nfs/dbraw/zinc/67/29/10/468672910.db2.gz SJBMQWJATWNXAT-ZDUSSCGKSA-N 1 2 349.481 2.454 10 30 EEEELO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000594750979 468672915 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C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](OCC)c3ccccc3)C2)C1 ZINC001485559178 1191831865 /nfs/dbraw/zinc/83/18/65/1191831865.db2.gz VPBJQORNMVPSGZ-UYAOXDASSA-N 1 2 344.455 2.254 10 30 EEEELO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](OCC)c3ccccc3)C2)C1 ZINC001485559178 1191831867 /nfs/dbraw/zinc/83/18/67/1191831867.db2.gz VPBJQORNMVPSGZ-UYAOXDASSA-N 1 2 344.455 2.254 10 30 EEEELO C=CCOCC(=O)N[C@H]1CC[N@H+](Cc2ncc(-c3ccccc3)o2)C1 ZINC001266310609 1176211590 /nfs/dbraw/zinc/21/15/90/1176211590.db2.gz JAFJCKKHQMNQIF-INIZCTEOSA-N 1 2 341.411 2.235 10 30 EEEELO C=CCOCC(=O)N[C@H]1CC[N@@H+](Cc2ncc(-c3ccccc3)o2)C1 ZINC001266310609 1176211597 /nfs/dbraw/zinc/21/15/97/1176211597.db2.gz JAFJCKKHQMNQIF-INIZCTEOSA-N 1 2 341.411 2.235 10 30 EEEELO COCC#CC[N@@H+]1CC[C@H](NC(=O)c2cc3cccc(C)c3o2)C1 ZINC001266361973 1176407548 /nfs/dbraw/zinc/40/75/48/1176407548.db2.gz VUYRRNNGDGFFEP-INIZCTEOSA-N 1 2 326.396 2.195 10 30 EEEELO COCC#CC[N@H+]1CC[C@H](NC(=O)c2cc3cccc(C)c3o2)C1 ZINC001266361973 1176407555 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ZINC001276423377 1321971377 /nfs/dbraw/zinc/97/13/77/1321971377.db2.gz USZZTYVDRCWAOT-LSDHHAIUSA-N 1 2 347.503 2.084 10 30 EEEELO C#CCCCCCC(=O)N(C)C[C@@H]1CC[N@@H+]1CC(=O)N1CCCCC1 ZINC001263807350 1322518987 /nfs/dbraw/zinc/51/89/87/1322518987.db2.gz KGJQIJKWJKICGJ-SFHVURJKSA-N 1 2 347.503 2.115 10 30 EEEELO C#CCCCCCC(=O)N(C)C[C@@H]1CC[N@H+]1CC(=O)N1CCCCC1 ZINC001263807350 1322518990 /nfs/dbraw/zinc/51/89/90/1322518990.db2.gz KGJQIJKWJKICGJ-SFHVURJKSA-N 1 2 347.503 2.115 10 30 EEEELO C=CCC(C)(C)C(=O)N(C)C[C@@H]1CC[N@H+]1CC(=O)N1CCC[C@H](C)C1 ZINC001263813061 1322523269 /nfs/dbraw/zinc/52/32/69/1322523269.db2.gz ZOGSOVDIQPJIFK-IRXDYDNUSA-N 1 2 349.519 2.380 10 30 EEEELO C=CCC(C)(C)C(=O)N(C)C[C@@H]1CC[N@@H+]1CC(=O)N1CCC[C@H](C)C1 ZINC001263813061 1322523272 /nfs/dbraw/zinc/52/32/72/1322523272.db2.gz ZOGSOVDIQPJIFK-IRXDYDNUSA-N 1 2 349.519 2.380 10 30 EEEELO COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccsc1C(F)F ZINC001263818906 1322525744 /nfs/dbraw/zinc/52/57/44/1322525744.db2.gz JDSHIVSZAUWETF-GFCCVEGCSA-N 1 2 342.411 2.482 10 30 EEEELO COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccsc1C(F)F ZINC001263818906 1322525750 /nfs/dbraw/zinc/52/57/50/1322525750.db2.gz JDSHIVSZAUWETF-GFCCVEGCSA-N 1 2 342.411 2.482 10 30 EEEELO C=CCCO[C@@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ncc(C)cn2)[C@@H]1CC ZINC001264603207 1322748511 /nfs/dbraw/zinc/74/85/11/1322748511.db2.gz YSTKIMODVRSPTM-YESZJQIVSA-N 1 2 346.475 2.235 10 30 EEEELO C=CCCO[C@@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ncc(C)cn2)[C@@H]1CC ZINC001264603207 1322748514 /nfs/dbraw/zinc/74/85/14/1322748514.db2.gz YSTKIMODVRSPTM-YESZJQIVSA-N 1 2 346.475 2.235 10 30 EEEELO C#CCO[C@@H](C)C(=O)N[C@H]1CC[N@H+](Cc2c(F)cccc2F)[C@@H]1C ZINC001264699848 1322787805 /nfs/dbraw/zinc/78/78/05/1322787805.db2.gz IVHYDDZCFSXBJN-IGCXYCKISA-N 1 2 336.382 2.082 10 30 EEEELO C#CCO[C@@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2c(F)cccc2F)[C@@H]1C ZINC001264699848 1322787808 /nfs/dbraw/zinc/78/78/08/1322787808.db2.gz IVHYDDZCFSXBJN-IGCXYCKISA-N 1 2 336.382 2.082 10 30 EEEELO C=C1CCC(C(=O)NCCC[N@@H+](CC)Cc2nc(N(C)C)no2)CC1 ZINC001265132261 1322938185 /nfs/dbraw/zinc/93/81/85/1322938185.db2.gz AGABXOVRUNHWJQ-UHFFFAOYSA-N 1 2 349.479 2.210 10 30 EEEELO C=C1CCC(C(=O)NCCC[N@H+](CC)Cc2nc(N(C)C)no2)CC1 ZINC001265132261 1322938186 /nfs/dbraw/zinc/93/81/86/1322938186.db2.gz AGABXOVRUNHWJQ-UHFFFAOYSA-N 1 2 349.479 2.210 10 30 EEEELO C=C1CC(C)(C(=O)NCCC[N@H+](Cc2ncnn2CC)C2CC2)C1 ZINC001265174917 1322966921 /nfs/dbraw/zinc/96/69/21/1322966921.db2.gz OAVKAOLCOZRXMF-UHFFFAOYSA-N 1 2 331.464 2.125 10 30 EEEELO C=C1CC(C)(C(=O)NCCC[N@@H+](Cc2ncnn2CC)C2CC2)C1 ZINC001265174917 1322966919 /nfs/dbraw/zinc/96/69/19/1322966919.db2.gz OAVKAOLCOZRXMF-UHFFFAOYSA-N 1 2 331.464 2.125 10 30 EEEELO C=CC(C)(C)C(=O)NC[C@H]([NH2+]Cc1nc(C(F)F)no1)C1CC1 ZINC001265366019 1323099468 /nfs/dbraw/zinc/09/94/68/1323099468.db2.gz HUOKNXUXQRCEQN-JTQLQIEISA-N 1 2 328.363 2.204 10 30 EEEELO C=CC(C)(C)C(=O)NC[C@@H]1CCCC[N@H+]1CC(=O)NCC(C)(C)C ZINC001265648839 1323295356 /nfs/dbraw/zinc/29/53/56/1323295356.db2.gz HUHUVHDOQBOLIC-HNNXBMFYSA-N 1 2 337.508 2.332 10 30 EEEELO C=CC(C)(C)C(=O)NC[C@@H]1CCCC[N@@H+]1CC(=O)NCC(C)(C)C ZINC001265648839 1323295361 /nfs/dbraw/zinc/29/53/61/1323295361.db2.gz HUHUVHDOQBOLIC-HNNXBMFYSA-N 1 2 337.508 2.332 10 30 EEEELO C=C(C)CCC(=O)N1CCCC[C@@H]1[C@H](C)[NH2+]Cc1nc(N(C)C)no1 ZINC001265998885 1323554970 /nfs/dbraw/zinc/55/49/70/1323554970.db2.gz VXCVNHZKNADSTF-LSDHHAIUSA-N 1 2 349.479 2.351 10 30 EEEELO C=C[C@](C)(O)CC(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2Cc1cscn1 ZINC001279553086 1323933018 /nfs/dbraw/zinc/93/30/18/1323933018.db2.gz FQQUMYYCRGMPQT-UXLLHSPISA-N 1 2 335.473 2.036 10 30 EEEELO C=C[C@](C)(O)CC(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2Cc1cscn1 ZINC001279553086 1323933019 /nfs/dbraw/zinc/93/30/19/1323933019.db2.gz FQQUMYYCRGMPQT-UXLLHSPISA-N 1 2 335.473 2.036 10 30 EEEELO C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@H](CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001280776262 1324502331 /nfs/dbraw/zinc/50/23/31/1324502331.db2.gz TTXZGNLWWYIWSS-FPXQBCRKSA-N 1 2 346.475 2.448 10 30 EEEELO C=CCCC(=O)NCC[C@@H](NC(=O)[C@H]1CCCc2[nH+]c[nH]c21)C(C)C ZINC001280923891 1324642019 /nfs/dbraw/zinc/64/20/19/1324642019.db2.gz GPOVBHASNZZUAY-LSDHHAIUSA-N 1 2 346.475 2.443 10 30 EEEELO CCc1ccccc1C[NH+]1CC2(C1)C[C@@H](NC(=O)C#CC1CC1)CO2 ZINC001280946774 1324660810 /nfs/dbraw/zinc/66/08/10/1324660810.db2.gz FRNIFYNXLNIPOJ-LJQANCHMSA-N 1 2 338.451 2.122 10 30 EEEELO C=CCCCC(=O)N1CCC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)[C@@H]1C ZINC001281209111 1324877483 /nfs/dbraw/zinc/87/74/83/1324877483.db2.gz MFXJFPKVRRWCKK-GOEBONIOSA-N 1 2 332.448 2.194 10 30 EEEELO C=CCCCC(=O)N1CCC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)[C@@H]1C ZINC001281209111 1324877489 /nfs/dbraw/zinc/87/74/89/1324877489.db2.gz MFXJFPKVRRWCKK-GOEBONIOSA-N 1 2 332.448 2.194 10 30 EEEELO C=CCCC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2ncn(-c3ccccc3)n2)C1 ZINC001281375891 1325009403 /nfs/dbraw/zinc/00/94/03/1325009403.db2.gz BGEXSWRMKUBNNZ-DOTOQJQBSA-N 1 2 339.443 2.170 10 30 EEEELO C=CCC(CC=C)C(=O)N1CCN(C2C[NH+](C[C@@H](F)CC)C2)CC1 ZINC001281577967 1325312653 /nfs/dbraw/zinc/31/26/53/1325312653.db2.gz PXKWTKYAVVFXMO-KRWDZBQOSA-N 1 2 337.483 2.331 10 30 EEEELO C=C(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001281764456 1325441651 /nfs/dbraw/zinc/44/16/51/1325441651.db2.gz DQMYZFGZZGSZME-IIAWOOMASA-N 1 2 346.475 2.154 10 30 EEEELO C=C(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001281764456 1325441656 /nfs/dbraw/zinc/44/16/56/1325441656.db2.gz DQMYZFGZZGSZME-IIAWOOMASA-N 1 2 346.475 2.154 10 30 EEEELO C[C@H](c1c(F)cccc1F)[N@@H+](C)CCOCCNC(=O)[C@@H](C)C#N ZINC001283362709 1326030868 /nfs/dbraw/zinc/03/08/68/1326030868.db2.gz HDWAKTQIWARANU-QWHCGFSZSA-N 1 2 339.386 2.250 10 30 EEEELO C[C@H](c1c(F)cccc1F)[N@H+](C)CCOCCNC(=O)[C@@H](C)C#N ZINC001283362709 1326030872 /nfs/dbraw/zinc/03/08/72/1326030872.db2.gz HDWAKTQIWARANU-QWHCGFSZSA-N 1 2 339.386 2.250 10 30 EEEELO C=C[C@](C)(CC)C(=O)NC1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001283429589 1326065466 /nfs/dbraw/zinc/06/54/66/1326065466.db2.gz KXVNNGUFOZGQNE-LJQANCHMSA-N 1 2 346.475 2.062 10 30 EEEELO C=CCCC(=O)N1CCC(CNC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001283440664 1326071077 /nfs/dbraw/zinc/07/10/77/1326071077.db2.gz UNPUJEXVGJAXFR-UHFFFAOYSA-N 1 2 340.427 2.269 10 30 EEEELO C=CC(C)(C)CC(=O)NCCCN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001283553023 1326128527 /nfs/dbraw/zinc/12/85/27/1326128527.db2.gz GPGYSVDLSQWQMY-OAHLLOKOSA-N 1 2 346.475 2.013 10 30 EEEELO C=CC(C)(C)C(=O)NCCC[NH+]1CCN(C(=O)c2cocc2C)CC1 ZINC001283820415 1326274370 /nfs/dbraw/zinc/27/43/70/1326274370.db2.gz KGAGSOWCRNIIKM-UHFFFAOYSA-N 1 2 347.459 2.064 10 30 EEEELO C=CCCC(=O)N1C[C@@H]([NH2+]Cc2noc(-c3ccoc3)n2)C[C@H]1C ZINC001283967995 1326341410 /nfs/dbraw/zinc/34/14/10/1326341410.db2.gz ZDXBZQXVUPICOC-OCCSQVGLSA-N 1 2 330.388 2.375 10 30 EEEELO C=C(C)CCC(=O)N(C)C[C@@H](O)C[N@H+](C)Cc1cc(F)ccc1C#N ZINC001284492225 1326585676 /nfs/dbraw/zinc/58/56/76/1326585676.db2.gz HSTMOYYSPDNLPN-SFHVURJKSA-N 1 2 347.434 2.305 10 30 EEEELO C=C(C)CCC(=O)N(C)C[C@@H](O)C[N@@H+](C)Cc1cc(F)ccc1C#N ZINC001284492225 1326585682 /nfs/dbraw/zinc/58/56/82/1326585682.db2.gz HSTMOYYSPDNLPN-SFHVURJKSA-N 1 2 347.434 2.305 10 30 EEEELO C#CCCCCCC(=O)N[C@@H](C)C1CC[NH+](Cc2nnc(C)[nH]2)CC1 ZINC001284720173 1326681731 /nfs/dbraw/zinc/68/17/31/1326681731.db2.gz WFNLPVCVXGOETP-HNNXBMFYSA-N 1 2 345.491 2.414 10 30 EEEELO C=CC(C)(C)CC(=O)N[C@H](C)C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001284762773 1326701233 /nfs/dbraw/zinc/70/12/33/1326701233.db2.gz ODCNIEJDKSGDRE-CQSZACIVSA-N 1 2 346.475 2.298 10 30 EEEELO C=CCCCC(=O)N1CC[NH+](CCN(C)C(=O)[C@H]2CC=CCC2)CC1 ZINC001284835567 1326736173 /nfs/dbraw/zinc/73/61/73/1326736173.db2.gz KZDDSMFRDRIYSH-SFHVURJKSA-N 1 2 347.503 2.302 10 30 EEEELO C#CC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCCc3[nH]ncc32)c(F)c1 ZINC001285003563 1326822154 /nfs/dbraw/zinc/82/21/54/1326822154.db2.gz ASGWYKPNJMNYHY-HNNXBMFYSA-N 1 2 340.402 2.008 10 30 EEEELO C=CC(C)(C)C(=O)N(C)CCC1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001285300700 1326947453 /nfs/dbraw/zinc/94/74/53/1326947453.db2.gz ZWPIIKPCKJOXOR-UHFFFAOYSA-N 1 2 346.475 2.182 10 30 EEEELO C=CCCCC(=O)N[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C[C@@H]1CC ZINC001285822139 1327165114 /nfs/dbraw/zinc/16/51/14/1327165114.db2.gz BOGDUPXWONHIJR-IRXDYDNUSA-N 1 2 346.475 2.373 10 30 EEEELO C=CC(C)(C)C(=O)NCC1(NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001285952837 1327221708 /nfs/dbraw/zinc/22/17/08/1327221708.db2.gz QZPUJZOPMLMMKF-OAHLLOKOSA-N 1 2 346.475 2.448 10 30 EEEELO C=CCCC(=O)N1CC[C@@](C)(CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001286115024 1327296296 /nfs/dbraw/zinc/29/62/96/1327296296.db2.gz OICSRFLANSRSTF-LIRRHRJNSA-N 1 2 344.459 2.151 10 30 EEEELO C=CCCC(=O)NCC1(C)CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001286143923 1327310814 /nfs/dbraw/zinc/31/08/14/1327310814.db2.gz XSCNYYPAIOARBB-UHFFFAOYSA-N 1 2 346.475 2.064 10 30 EEEELO C=C(C)CCC(=O)N1CCCCC[C@@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC001286169730 1327323727 /nfs/dbraw/zinc/32/37/27/1327323727.db2.gz 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335.448 2.435 10 30 EEEELO C=CCCC(=O)NCCC[NH+]1CCN(C(=O)c2ccc(C)s2)CC1 ZINC001493126944 1107550941 /nfs/dbraw/zinc/55/09/41/1107550941.db2.gz HGALIUQPOVXPFB-UHFFFAOYSA-N 1 2 349.500 2.287 10 30 EEEELO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)[C@H](C)Cc1c(C)nn(C)c1C ZINC001498459724 1107572881 /nfs/dbraw/zinc/57/28/81/1107572881.db2.gz FNTQPCYEGILEAO-DGCLKSJQSA-N 1 2 340.899 2.405 10 30 EEEELO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)[C@H](C)Cc1c(C)nn(C)c1C ZINC001498459724 1107572886 /nfs/dbraw/zinc/57/28/86/1107572886.db2.gz FNTQPCYEGILEAO-DGCLKSJQSA-N 1 2 340.899 2.405 10 30 EEEELO N#CCCCN1C(=O)CCc2cc(NC(=O)Cc3c[nH]c[nH+]3)ccc21 ZINC001466929680 1110446784 /nfs/dbraw/zinc/44/67/84/1110446784.db2.gz IOMVXRSNZAHBHN-UHFFFAOYSA-N 1 2 337.383 2.174 10 30 EEEELO C=CC[C@H](C(=O)OC)[N@@H+]1C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C1 ZINC001473792404 1110580902 /nfs/dbraw/zinc/58/09/02/1110580902.db2.gz NUGMJRPJQKMVSF-OLZOCXBDSA-N 1 2 326.437 2.339 10 30 EEEELO C=CC[C@H](C(=O)OC)[N@H+]1C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C1 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EEEELO C[C@H](C#N)CNC(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000182655676 464703599 /nfs/dbraw/zinc/70/35/99/464703599.db2.gz GLBBBKWWZFESFC-CHWSQXEVSA-N 1 2 336.386 2.388 10 30 EEEELO CN(CC(=O)OC(C)(C)C)C1CC[NH+](C[C@@H](C#N)CCC#N)CC1 ZINC000191980423 464840408 /nfs/dbraw/zinc/84/04/08/464840408.db2.gz UTBSCZKICKTMFK-OAHLLOKOSA-N 1 2 334.464 2.168 10 30 EEEELO CC(=O)c1ccc2c(c1)CC[N@H+]([C@H](C(N)=O)c1ccc(C#N)cc1)CC2 ZINC000339626029 465398200 /nfs/dbraw/zinc/39/82/00/465398200.db2.gz NLBKLAOGSVRCBM-FQEVSTJZSA-N 1 2 347.418 2.388 10 30 EEEELO CC(=O)c1ccc2c(c1)CC[N@@H+]([C@H](C(N)=O)c1ccc(C#N)cc1)CC2 ZINC000339626029 465398203 /nfs/dbraw/zinc/39/82/03/465398203.db2.gz NLBKLAOGSVRCBM-FQEVSTJZSA-N 1 2 347.418 2.388 10 30 EEEELO Cc1cccn2cc(CNS(=O)(=O)CC3(C#N)CCCC3)[nH+]c12 ZINC000352944230 465573087 /nfs/dbraw/zinc/57/30/87/465573087.db2.gz RFAIBCPGHZXPPS-UHFFFAOYSA-N 1 2 332.429 2.146 10 30 EEEELO C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000360491583 465573568 /nfs/dbraw/zinc/57/35/68/465573568.db2.gz NRPWVVFEVOGBGM-ZDUSSCGKSA-N 1 2 344.415 2.140 10 30 EEEELO C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000360491583 465573575 /nfs/dbraw/zinc/57/35/75/465573575.db2.gz NRPWVVFEVOGBGM-ZDUSSCGKSA-N 1 2 344.415 2.140 10 30 EEEELO C=CCN(C)C(=O)C(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000344302193 465604579 /nfs/dbraw/zinc/60/45/79/465604579.db2.gz UPYBDGWUYDFNGF-QGZVFWFLSA-N 1 2 340.427 2.002 10 30 EEEELO C=CCOCCNC(=O)N[C@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000371643724 465917514 /nfs/dbraw/zinc/91/75/14/465917514.db2.gz YVMIIRSPEDYXJM-HNNXBMFYSA-N 1 2 332.379 2.150 10 30 EEEELO N#Cc1ccc(C2([NH2+]Cc3nnnn3CC(F)(F)F)CCC2)cc1 ZINC000594033216 468468064 /nfs/dbraw/zinc/46/80/64/468468064.db2.gz KNPWIRGPMMZTLK-UHFFFAOYSA-N 1 2 336.321 2.276 10 30 EEEELO C=C(C)COc1cc(C[N@@H+]2C[C@@H](C)O[C@H](C(=O)OC)C2)ccc1OC ZINC000600198017 468492752 /nfs/dbraw/zinc/49/27/52/468492752.db2.gz UHTIEBQFSZNQEH-KDOFPFPSSA-N 1 2 349.427 2.412 10 30 EEEELO C=C(C)COc1cc(C[N@H+]2C[C@@H](C)O[C@H](C(=O)OC)C2)ccc1OC ZINC000600198017 468492756 /nfs/dbraw/zinc/49/27/56/468492756.db2.gz UHTIEBQFSZNQEH-KDOFPFPSSA-N 1 2 349.427 2.412 10 30 EEEELO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@@H](C)[N@@H+]2Cc2ccc(C#N)c(F)c2)O1 ZINC000374506801 466655935 /nfs/dbraw/zinc/65/59/35/466655935.db2.gz QKWDEJOETLBGJH-AHBIMHKDSA-N 1 2 332.375 2.381 10 30 EEEELO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@@H](C)[N@H+]2Cc2ccc(C#N)c(F)c2)O1 ZINC000374506801 466655940 /nfs/dbraw/zinc/65/59/40/466655940.db2.gz QKWDEJOETLBGJH-AHBIMHKDSA-N 1 2 332.375 2.381 10 30 EEEELO CCOC(=O)C1(COC)CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC000373732967 466902517 /nfs/dbraw/zinc/90/25/17/466902517.db2.gz WREFNCGKMWVTGK-UHFFFAOYSA-N 1 2 334.391 2.489 10 30 EEEELO Cc1cn2cc(NS(=O)(=O)c3ccc(C#N)c(F)c3)ccc2[nH+]1 ZINC000427775422 467177781 /nfs/dbraw/zinc/17/77/81/467177781.db2.gz UEXLPDZYUAPWDY-UHFFFAOYSA-N 1 2 330.344 2.454 10 30 EEEELO COc1ccc2c(c1)CCC[C@@H]2CC(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000516871129 468052036 /nfs/dbraw/zinc/05/20/36/468052036.db2.gz ZYGOIALVHLQVMF-BEFAXECRSA-N 1 2 329.444 2.465 10 30 EEEELO CCCn1cc(C[NH+]2CCN(c3snc(C)c3C#N)CC2)cn1 ZINC000567656691 468177074 /nfs/dbraw/zinc/17/70/74/468177074.db2.gz LTBJWSALABJJBV-UHFFFAOYSA-N 1 2 330.461 2.252 10 30 EEEELO Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)CC2(C#N)CC2)cc1 ZINC000590130607 468217038 /nfs/dbraw/zinc/21/70/38/468217038.db2.gz VASOFAOLHSIMAZ-KRWDZBQOSA-N 1 2 327.428 2.178 10 30 EEEELO CC1CCN(C(=O)C2CC[NH+](Cc3ccncc3C#N)CC2)CC1 ZINC000592061028 468609222 /nfs/dbraw/zinc/60/92/22/468609222.db2.gz MHXMTBFHWFPGMS-UHFFFAOYSA-N 1 2 326.444 2.424 10 30 EEEELO COCC[N@H+](Cc1ccc2c(c1)OCO2)Cc1ccncc1C#N ZINC000592071070 468612260 /nfs/dbraw/zinc/61/22/60/468612260.db2.gz YLOSGBMFTIADQB-UHFFFAOYSA-N 1 2 325.368 2.331 10 30 EEEELO COCC[N@@H+](Cc1ccc2c(c1)OCO2)Cc1ccncc1C#N ZINC000592071070 468612261 /nfs/dbraw/zinc/61/22/61/468612261.db2.gz YLOSGBMFTIADQB-UHFFFAOYSA-N 1 2 325.368 2.331 10 30 EEEELO CN(C[C@@H]1C[N@H+](C)CCO1)c1cc(Br)c(C#N)cc1F ZINC000594549517 468619688 /nfs/dbraw/zinc/61/96/88/468619688.db2.gz BIQGFORAARAVEC-NSHDSACASA-N 1 2 342.212 2.227 10 30 EEEELO CN(C[C@@H]1C[N@@H+](C)CCO1)c1cc(Br)c(C#N)cc1F ZINC000594549517 468619690 /nfs/dbraw/zinc/61/96/90/468619690.db2.gz BIQGFORAARAVEC-NSHDSACASA-N 1 2 342.212 2.227 10 30 EEEELO N#Cc1cc(C(=O)N(CCn2cc[nH+]c2)C2CCSCC2)ccn1 ZINC000597639906 468623419 /nfs/dbraw/zinc/62/34/19/468623419.db2.gz HEMJOMWSTLAWJT-UHFFFAOYSA-N 1 2 341.440 2.188 10 30 EEEELO N#CC1(C[C@H](O)CNc2ccc(-n3cc[nH+]c3)cc2)CCOCC1 ZINC000600743256 468644781 /nfs/dbraw/zinc/64/47/81/468644781.db2.gz RRODUROMLFBRSF-KRWDZBQOSA-N 1 2 326.400 2.356 10 30 EEEELO N#CC1(C(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)CC2(CC2)C1 ZINC000600987676 468708438 /nfs/dbraw/zinc/70/84/38/468708438.db2.gz DIBZCZHWNZHEBJ-QGZVFWFLSA-N 1 2 339.439 2.260 10 30 EEEELO N#Cc1cccc(C2(NC(=O)CCCn3cc[nH+]c3)CCOCC2)c1 ZINC000598248962 468806605 /nfs/dbraw/zinc/80/66/05/468806605.db2.gz NWCSTPCNAPMRQY-UHFFFAOYSA-N 1 2 338.411 2.357 10 30 EEEELO CCN(C(=O)[C@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1)[C@H](C)C#N ZINC000598359016 468841300 /nfs/dbraw/zinc/84/13/00/468841300.db2.gz INWRBTYPLFPGJG-CABCVRRESA-N 1 2 332.423 2.097 10 30 EEEELO N#Cc1cc(C[N@@H+]2CCn3c(Cc4ccccc4F)nnc3C2)ccn1 ZINC000593057191 468854336 /nfs/dbraw/zinc/85/43/36/468854336.db2.gz QZHJGLSDPQNYPG-UHFFFAOYSA-N 1 2 348.385 2.290 10 30 EEEELO N#Cc1cc(C[N@H+]2CCn3c(Cc4ccccc4F)nnc3C2)ccn1 ZINC000593057191 468854340 /nfs/dbraw/zinc/85/43/40/468854340.db2.gz QZHJGLSDPQNYPG-UHFFFAOYSA-N 1 2 348.385 2.290 10 30 EEEELO C=CCNC(=O)C[N@@H+]1Cc2ccccc2[C@H](C(=O)OC(C)(C)C)C1 ZINC000595616535 468924955 /nfs/dbraw/zinc/92/49/55/468924955.db2.gz MLWRLLKGNWHUBL-MRXNPFEDSA-N 1 2 330.428 2.230 10 30 EEEELO C=CCNC(=O)C[N@H+]1Cc2ccccc2[C@H](C(=O)OC(C)(C)C)C1 ZINC000595616535 468924958 /nfs/dbraw/zinc/92/49/58/468924958.db2.gz MLWRLLKGNWHUBL-MRXNPFEDSA-N 1 2 330.428 2.230 10 30 EEEELO N#Cc1cccc2c1CN(C(=O)NCCc1cn3c([nH+]1)CCCC3)C2 ZINC000593309744 468934716 /nfs/dbraw/zinc/93/47/16/468934716.db2.gz BVGWGIWXNSRNCI-UHFFFAOYSA-N 1 2 335.411 2.359 10 30 EEEELO C[C@]1(CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1(F)F ZINC000595780525 469006601 /nfs/dbraw/zinc/00/66/01/469006601.db2.gz HMGXZUHNEDAYJJ-QGZVFWFLSA-N 1 2 348.397 2.431 10 30 EEEELO C[C@@]1(C#N)CC[N@H+](CC(=O)NCCc2ccc(OC(F)F)cc2)C1 ZINC000595836011 469032796 /nfs/dbraw/zinc/03/27/96/469032796.db2.gz UQBFLEYQSNSTOH-KRWDZBQOSA-N 1 2 337.370 2.182 10 30 EEEELO C[C@@]1(C#N)CC[N@@H+](CC(=O)NCCc2ccc(OC(F)F)cc2)C1 ZINC000595836011 469032804 /nfs/dbraw/zinc/03/28/04/469032804.db2.gz UQBFLEYQSNSTOH-KRWDZBQOSA-N 1 2 337.370 2.182 10 30 EEEELO N#Cc1ccc(N2CC[C@H]([N@H+]3CCO[C@@H](C(F)F)CC3)C2=O)cc1 ZINC000601977118 469123097 /nfs/dbraw/zinc/12/30/97/469123097.db2.gz RKMWBSPENHIVII-LSDHHAIUSA-N 1 2 335.354 2.020 10 30 EEEELO N#Cc1ccc(N2CC[C@H]([N@@H+]3CCO[C@@H](C(F)F)CC3)C2=O)cc1 ZINC000601977118 469123100 /nfs/dbraw/zinc/12/31/00/469123100.db2.gz RKMWBSPENHIVII-LSDHHAIUSA-N 1 2 335.354 2.020 10 30 EEEELO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000599194549 469158410 /nfs/dbraw/zinc/15/84/10/469158410.db2.gz QRMHZLXWAIGEOW-SFHVURJKSA-N 1 2 344.459 2.056 10 30 EEEELO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000599194549 469158416 /nfs/dbraw/zinc/15/84/16/469158416.db2.gz QRMHZLXWAIGEOW-SFHVURJKSA-N 1 2 344.459 2.056 10 30 EEEELO CC(C)(C)CC(=O)N1CCN(Cc2c[nH+]c3ccc(C#N)cn23)CC1 ZINC000611254204 469210427 /nfs/dbraw/zinc/21/04/27/469210427.db2.gz PAQSYPHFHOVGMA-UHFFFAOYSA-N 1 2 339.443 2.286 10 30 EEEELO C[C@H]([C@H](C)NC(=O)NC(C)(C)c1cccc(C#N)c1)[NH+]1CCOCC1 ZINC000596268970 469227144 /nfs/dbraw/zinc/22/71/44/469227144.db2.gz OQIKXLYJSYSBEC-LSDHHAIUSA-N 1 2 344.459 2.202 10 30 EEEELO COCCOc1ccc(C#N)cc1NC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000596832071 469373566 /nfs/dbraw/zinc/37/35/66/469373566.db2.gz GYSVKWYQZXECOZ-GFCCVEGCSA-N 1 2 343.387 2.200 10 30 EEEELO N#Cc1ccc(CS(=O)(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c(F)c1 ZINC000616415041 469442349 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C[C@H](C[N@H+](C)Cc1cc(-c2cccs2)on1)NC(=O)[C@@H](C)C#N ZINC001445683076 1091480097 /nfs/dbraw/zinc/48/00/97/1091480097.db2.gz CCWWTDGOCXEXHH-NWDGAFQWSA-N 1 2 332.429 2.499 10 30 EEEELO C[C@H](C[N@@H+](C)Cc1cc(-c2cccs2)on1)NC(=O)[C@@H](C)C#N ZINC001445683076 1091480102 /nfs/dbraw/zinc/48/01/02/1091480102.db2.gz CCWWTDGOCXEXHH-NWDGAFQWSA-N 1 2 332.429 2.499 10 30 EEEELO Cc1ncoc1C(=O)N[C@H](C)C[N@H+](C)Cc1cc(F)ccc1C#N ZINC001445699172 1091504503 /nfs/dbraw/zinc/50/45/03/1091504503.db2.gz ATAPDSPLAOPKKU-LLVKDONJSA-N 1 2 330.363 2.244 10 30 EEEELO Cc1ncoc1C(=O)N[C@H](C)C[N@@H+](C)Cc1cc(F)ccc1C#N ZINC001445699172 1091504507 /nfs/dbraw/zinc/50/45/07/1091504507.db2.gz ATAPDSPLAOPKKU-LLVKDONJSA-N 1 2 330.363 2.244 10 30 EEEELO C[C@@H](CC(=O)NC[C@@H]1CCN1Cc1ccc(C#N)s1)n1cc[nH+]c1 ZINC001446094971 1092121165 /nfs/dbraw/zinc/12/11/65/1092121165.db2.gz GKDREOTUQXJVDS-KBPBESRZSA-N 1 2 343.456 2.158 10 30 EEEELO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)[C@@H](C)c1c(C)nn(C)c1C ZINC001439424822 1092191730 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333.505 2.052 10 30 EEEELO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)Cc2c[nH]c3cccc(C)c23)C1 ZINC001568226599 1124371555 /nfs/dbraw/zinc/37/15/55/1124371555.db2.gz JCIHTXWPUVPARY-KRWDZBQOSA-N 1 2 341.455 2.412 10 30 EEEELO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)Cc2c[nH]c3cccc(C)c23)C1 ZINC001568226599 1124371561 /nfs/dbraw/zinc/37/15/61/1124371561.db2.gz JCIHTXWPUVPARY-KRWDZBQOSA-N 1 2 341.455 2.412 10 30 EEEELO C=C[C@@H]1OCC[C@H]1C(=O)N(C)CC[N@H+](C)Cc1cnc(Cl)s1 ZINC001568496157 1124553525 /nfs/dbraw/zinc/55/35/25/1124553525.db2.gz KGZPDHRCTNLONY-OLZOCXBDSA-N 1 2 343.880 2.278 10 30 EEEELO C=C[C@@H]1OCC[C@H]1C(=O)N(C)CC[N@@H+](C)Cc1cnc(Cl)s1 ZINC001568496157 1124553531 /nfs/dbraw/zinc/55/35/31/1124553531.db2.gz KGZPDHRCTNLONY-OLZOCXBDSA-N 1 2 343.880 2.278 10 30 EEEELO C#Cc1ccc(C(=O)NC/C=C\C[NH2+][C@H](C)c2nc(CC)no2)cc1 ZINC001568896869 1124925391 /nfs/dbraw/zinc/92/53/91/1124925391.db2.gz SUUKRDFQHRBCFB-LMVHVUTASA-N 1 2 338.411 2.250 10 30 EEEELO CC#CCCCC(=O)N[C@@H](C)C[N@H+](C)Cc1cc2n(n1)CCCC2 ZINC001569132030 1125117244 /nfs/dbraw/zinc/11/72/44/1125117244.db2.gz CLYRDJYCJCYSKA-INIZCTEOSA-N 1 2 330.476 2.350 10 30 EEEELO CC#CCCCC(=O)N[C@@H](C)C[N@@H+](C)Cc1cc2n(n1)CCCC2 ZINC001569132030 1125117250 /nfs/dbraw/zinc/11/72/50/1125117250.db2.gz CLYRDJYCJCYSKA-INIZCTEOSA-N 1 2 330.476 2.350 10 30 EEEELO C=CC[NH+]1CCN(C(=O)c2csc(NC(=O)CC(C)C)n2)CC1 ZINC000040355318 213292061 /nfs/dbraw/zinc/29/20/61/213292061.db2.gz AREQFBBJBXUAHA-UHFFFAOYSA-N 1 2 336.461 2.072 10 30 EEEELO CN(C)c1[nH+]cccc1O[C@@H]1CCN(C(=O)c2sccc2C#N)C1 ZINC000328631680 258028578 /nfs/dbraw/zinc/02/85/78/258028578.db2.gz RHBRJTQZRLSPER-CYBMUJFWSA-N 1 2 342.424 2.374 10 30 EEEELO Cc1cccc2[nH+]c(CNC(=O)NCCOc3ccc(C#N)cc3)cn21 ZINC000173209768 152152460 /nfs/dbraw/zinc/15/24/60/152152460.db2.gz MIOCLTUUIDVFCH-UHFFFAOYSA-N 1 2 349.394 2.393 10 30 EEEELO C[C@H]([NH2+][C@@H](C)c1nnc2n1CCCC2)C(=O)Nc1ccccc1C#N ZINC000173626434 152182607 /nfs/dbraw/zinc/18/26/07/152182607.db2.gz MDSXZPKIYXIKCO-STQMWFEESA-N 1 2 338.415 2.164 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COC(=O)c1cccc(C[N@@H+]2CCO[C@@H]3CC[C@H](OC)C[C@@H]32)c1C#N ZINC000534475010 270022947 /nfs/dbraw/zinc/02/29/47/270022947.db2.gz UMPRGCLMFSLFBR-JCGIZDLHSA-N 1 2 344.411 2.113 10 30 EEEELO Cc1cc(NC(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)c(C#N)cc1N(C)C ZINC000417148753 268008656 /nfs/dbraw/zinc/00/86/56/268008656.db2.gz DIWALOFMGAZQAN-CYBMUJFWSA-N 1 2 338.415 2.335 10 30 EEEELO Cc1cc(NC(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)c(C#N)cc1N(C)C ZINC000417148753 268008658 /nfs/dbraw/zinc/00/86/58/268008658.db2.gz DIWALOFMGAZQAN-CYBMUJFWSA-N 1 2 338.415 2.335 10 30 EEEELO N#Cc1ccc([C@@H]([NH2+]C[C@H]2CCN2C2CCCCC2)C(N)=O)cc1 ZINC000530128890 268261991 /nfs/dbraw/zinc/26/19/91/268261991.db2.gz CXRXWYVJZRSPTL-QZTJIDSGSA-N 1 2 326.444 2.081 10 30 EEEELO Cc1c(C[N@H+](C)[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cnn1C ZINC000582115842 324383717 /nfs/dbraw/zinc/38/37/17/324383717.db2.gz SIZIPKUVTILDDC-GOSISDBHSA-N 1 2 337.427 2.228 10 30 EEEELO Cc1c(C[N@@H+](C)[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cnn1C ZINC000582115842 324383720 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345.491 2.421 10 30 EEEELO C=CCC1(C(=O)N[C@@H]2CCC[N@@H+](Cc3cnnn3C)[C@@H]2C)CCCC1 ZINC001278533204 1317163792 /nfs/dbraw/zinc/16/37/92/1317163792.db2.gz ONXHILLHZPKRQE-NVXWUHKLSA-N 1 2 345.491 2.421 10 30 EEEELO C#CCCCC(=O)NC[C@]1(C)CCC[N@@H+](Cc2cn(C(C)C)nn2)C1 ZINC001278658760 1317583380 /nfs/dbraw/zinc/58/33/80/1317583380.db2.gz MHAGQMLHUDVYNX-IBGZPJMESA-N 1 2 345.491 2.381 10 30 EEEELO C#CCCCC(=O)NC[C@]1(C)CCC[N@H+](Cc2cn(C(C)C)nn2)C1 ZINC001278658760 1317583384 /nfs/dbraw/zinc/58/33/84/1317583384.db2.gz MHAGQMLHUDVYNX-IBGZPJMESA-N 1 2 345.491 2.381 10 30 EEEELO C=C(C)CCC(=O)NC[C@H]1C[N@H+](Cc2ccnn2C)CCC1(F)F ZINC001278741847 1317940259 /nfs/dbraw/zinc/94/02/59/1317940259.db2.gz SCXQWROOXGOFAV-AWEZNQCLSA-N 1 2 340.418 2.350 10 30 EEEELO C=C(C)CCC(=O)NC[C@H]1C[N@@H+](Cc2ccnn2C)CCC1(F)F ZINC001278741847 1317940261 /nfs/dbraw/zinc/94/02/61/1317940261.db2.gz SCXQWROOXGOFAV-AWEZNQCLSA-N 1 2 340.418 2.350 10 30 EEEELO C=C(C)C[NH+]1CC(O)(CNC(=O)c2cc3ccccc3n2CC)C1 ZINC001278931582 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2.032 10 30 EEEELO CC1(C#N)CC[NH+](CC(=O)NCc2cnn(-c3ccccc3)c2)CC1 ZINC000356447865 465386838 /nfs/dbraw/zinc/38/68/38/465386838.db2.gz PZJVLGKLODZPFD-UHFFFAOYSA-N 1 2 337.427 2.114 10 30 EEEELO C[C@H]1CCN(S(=O)(=O)CC2(C#N)CCCC2)C[C@H]1n1cc[nH+]c1 ZINC000352875637 465562612 /nfs/dbraw/zinc/56/26/12/465562612.db2.gz YGFLEEQTFAYRQH-LSDHHAIUSA-N 1 2 336.461 2.180 10 30 EEEELO C=CCNC(=O)CN1CC[NH+](Cc2ccccc2OCCCC)CC1 ZINC000344511814 465628692 /nfs/dbraw/zinc/62/86/92/465628692.db2.gz JYRROTUSOUUSHQ-UHFFFAOYSA-N 1 2 345.487 2.285 10 30 EEEELO C[C@@H](C[NH+]1CCOCC1)NC(=O)Nc1ncc(C(F)(F)F)s1 ZINC000330434996 465660289 /nfs/dbraw/zinc/66/02/89/465660289.db2.gz LSJAZIAJEAINHE-QMMMGPOBSA-N 1 2 338.355 2.209 10 30 EEEELO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCc2cc(OC)c(F)cc2C1 ZINC000348813488 465813458 /nfs/dbraw/zinc/81/34/58/465813458.db2.gz RINYMFNSNCNWIK-ZDUSSCGKSA-N 1 2 333.407 2.201 10 30 EEEELO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCc2cc(OC)c(F)cc2C1 ZINC000348813488 465813463 /nfs/dbraw/zinc/81/34/63/465813463.db2.gz RINYMFNSNCNWIK-ZDUSSCGKSA-N 1 2 333.407 2.201 10 30 EEEELO Cn1cc[nH+]c1CN1CCN(c2ccc3cc(C#N)ccc3n2)CC1 ZINC000301838936 466042650 /nfs/dbraw/zinc/04/26/50/466042650.db2.gz ZIAPKFQADSMJRH-UHFFFAOYSA-N 1 2 332.411 2.162 10 30 EEEELO CCN(CCC#N)C(=O)C[NH2+][C@H](Cc1ccccc1)c1ncco1 ZINC000594054590 468473901 /nfs/dbraw/zinc/47/39/01/468473901.db2.gz IIVUCCUPCYXURN-MRXNPFEDSA-N 1 2 326.400 2.310 10 30 EEEELO C[C@@](C#N)(NC(=O)C[N@@H+]1CCC[C@@]2(C1)OCc1ccccc12)C1CC1 ZINC000369009448 466710657 /nfs/dbraw/zinc/71/06/57/466710657.db2.gz NJXYYQWVXLMEOA-PMACEKPBSA-N 1 2 339.439 2.316 10 30 EEEELO C[C@@](C#N)(NC(=O)C[N@H+]1CCC[C@@]2(C1)OCc1ccccc12)C1CC1 ZINC000369009448 466710661 /nfs/dbraw/zinc/71/06/61/466710661.db2.gz NJXYYQWVXLMEOA-PMACEKPBSA-N 1 2 339.439 2.316 10 30 EEEELO N#CCCCOc1cccnc1NC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000377751219 467132797 /nfs/dbraw/zinc/13/27/97/467132797.db2.gz ZDSKKBXKLUTWMM-GFCCVEGCSA-N 1 2 340.387 2.166 10 30 EEEELO N#CCCCOc1cccnc1NC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000377751219 467132799 /nfs/dbraw/zinc/13/27/99/467132799.db2.gz ZDSKKBXKLUTWMM-GFCCVEGCSA-N 1 2 340.387 2.166 10 30 EEEELO Cc1cn2cc(NC(=O)C(=O)N(CCC#N)CCC(C)C)ccc2[nH+]1 ZINC000439600132 467567879 /nfs/dbraw/zinc/56/78/79/467567879.db2.gz YZITUJGXEQOJSU-UHFFFAOYSA-N 1 2 341.415 2.370 10 30 EEEELO CC(C)c1ccc2ncc(C#N)c(NCC[NH+]3CCN(C)CC3)c2c1 ZINC000447668879 467588097 /nfs/dbraw/zinc/58/80/97/467588097.db2.gz HUMQABTWQRAJJR-UHFFFAOYSA-N 1 2 337.471 2.311 10 30 EEEELO CCn1ncc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)n1 ZINC000527733129 467664385 /nfs/dbraw/zinc/66/43/85/467664385.db2.gz HVXBVRPGEMEIDV-UHFFFAOYSA-N 1 2 335.415 2.365 10 30 EEEELO C[C@@](C#N)(NC(=O)CN1CCC[C@@H]1c1[nH]c2c([nH+]1)CCCC2)C1CC1 ZINC000514660770 467946337 /nfs/dbraw/zinc/94/63/37/467946337.db2.gz YHUNLZATLMUQBA-APWZRJJASA-N 1 2 341.459 2.234 10 30 EEEELO C=CCCCCCNC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000569739487 468536952 /nfs/dbraw/zinc/53/69/52/468536952.db2.gz OBCNCNQZRBGZFL-QGZVFWFLSA-N 1 2 341.521 2.240 10 30 EEEELO COC(=O)c1cccc(C[N@H+](CCO)Cc2ccc(C)o2)c1C#N ZINC000569901724 468559214 /nfs/dbraw/zinc/55/92/14/468559214.db2.gz OLOJJFHSYLIRHD-UHFFFAOYSA-N 1 2 328.368 2.241 10 30 EEEELO COC(=O)c1cccc(C[N@@H+](CCO)Cc2ccc(C)o2)c1C#N ZINC000569901724 468559220 /nfs/dbraw/zinc/55/92/20/468559220.db2.gz OLOJJFHSYLIRHD-UHFFFAOYSA-N 1 2 328.368 2.241 10 30 EEEELO N#Cc1cnccc1C[N@H+]1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC000592058780 468608220 /nfs/dbraw/zinc/60/82/20/468608220.db2.gz MXHCLGLPCUSZMY-UHFFFAOYSA-N 1 2 338.386 2.440 10 30 EEEELO N#Cc1cnccc1C[N@@H+]1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC000592058780 468608223 /nfs/dbraw/zinc/60/82/23/468608223.db2.gz MXHCLGLPCUSZMY-UHFFFAOYSA-N 1 2 338.386 2.440 10 30 EEEELO N#Cc1cnccc1C[N@H+]1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000592080015 468615468 /nfs/dbraw/zinc/61/54/68/468615468.db2.gz ILMNNJJFCLCXQX-QGZVFWFLSA-N 1 2 339.374 2.488 10 30 EEEELO N#Cc1cnccc1C[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000592080015 468615469 /nfs/dbraw/zinc/61/54/69/468615469.db2.gz ILMNNJJFCLCXQX-QGZVFWFLSA-N 1 2 339.374 2.488 10 30 EEEELO N#Cc1c(F)cc(CNC(=O)Cc2cn3ccccc3[nH+]2)cc1F ZINC000559264754 468735728 /nfs/dbraw/zinc/73/57/28/468735728.db2.gz AUQJKYQLOAEWKX-UHFFFAOYSA-N 1 2 326.306 2.343 10 30 EEEELO N#Cc1ccc(N2CC[NH+](CCO[C@@H]3CC3(F)F)CC2)c(F)c1 ZINC000595302447 468806424 /nfs/dbraw/zinc/80/64/24/468806424.db2.gz UBXZYCWEWIEIAY-OAHLLOKOSA-N 1 2 325.334 2.244 10 30 EEEELO CC1(C)C(=O)Nc2ccccc2N1C(=O)C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595615689 468923282 /nfs/dbraw/zinc/92/32/82/468923282.db2.gz MOUVDIYUGCKJPR-AWEZNQCLSA-N 1 2 340.427 2.376 10 30 EEEELO CC1(C)C(=O)Nc2ccccc2N1C(=O)C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595615689 468923285 /nfs/dbraw/zinc/92/32/85/468923285.db2.gz MOUVDIYUGCKJPR-AWEZNQCLSA-N 1 2 340.427 2.376 10 30 EEEELO CC[C@@H](C#N)C(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000593387684 468959648 /nfs/dbraw/zinc/95/96/48/468959648.db2.gz USCRTLAVVRYIDS-AWEZNQCLSA-N 1 2 335.835 2.413 10 30 EEEELO CC[C@H](C#N)C(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000593387685 468959919 /nfs/dbraw/zinc/95/99/19/468959919.db2.gz USCRTLAVVRYIDS-CQSZACIVSA-N 1 2 335.835 2.413 10 30 EEEELO C=CCOc1ccc(C[N@@H+]2CCO[C@@](C)(C(=O)OCC)C2)cc1OC ZINC000602750490 469052471 /nfs/dbraw/zinc/05/24/71/469052471.db2.gz RECWWIBNBYDBOB-LJQANCHMSA-N 1 2 349.427 2.414 10 30 EEEELO C=CCOc1ccc(C[N@H+]2CCO[C@@](C)(C(=O)OCC)C2)cc1OC ZINC000602750490 469052476 /nfs/dbraw/zinc/05/24/76/469052476.db2.gz RECWWIBNBYDBOB-LJQANCHMSA-N 1 2 349.427 2.414 10 30 EEEELO N#CCCn1ncc(C(=O)N[C@H]2Cc3c[nH+]cn3C2)c1-c1ccccc1 ZINC000598948774 469062806 /nfs/dbraw/zinc/06/28/06/469062806.db2.gz UQNGWUWKNCJXPT-HNNXBMFYSA-N 1 2 346.394 2.015 10 30 EEEELO N#CCc1cccc2c1CCN(C(=O)N[C@H]1CCc3[nH+]c[nH]c3C1)C2 ZINC000599066532 469105279 /nfs/dbraw/zinc/10/52/79/469105279.db2.gz RXIULIJYNDDQAH-HNNXBMFYSA-N 1 2 335.411 2.101 10 30 EEEELO N#CCc1cccc2c1CCN(C(=O)N[C@H]1CCc3[nH]c[nH+]c3C1)C2 ZINC000599066532 469105283 /nfs/dbraw/zinc/10/52/83/469105283.db2.gz RXIULIJYNDDQAH-HNNXBMFYSA-N 1 2 335.411 2.101 10 30 EEEELO CN1CCCC[C@H]([N@H+](C)CC(=O)Nc2ccc(C#N)c(Cl)c2)C1=O ZINC000601970316 469120306 /nfs/dbraw/zinc/12/03/06/469120306.db2.gz OFCFMKACECTPFR-HNNXBMFYSA-N 1 2 348.834 2.093 10 30 EEEELO CN1CCCC[C@H]([N@@H+](C)CC(=O)Nc2ccc(C#N)c(Cl)c2)C1=O ZINC000601970316 469120312 /nfs/dbraw/zinc/12/03/12/469120312.db2.gz OFCFMKACECTPFR-HNNXBMFYSA-N 1 2 348.834 2.093 10 30 EEEELO N#Cc1cc(CN(CC[NH+]2CCOCC2)c2ccccc2F)ccn1 ZINC000599615077 469310046 /nfs/dbraw/zinc/31/00/46/469310046.db2.gz WAMRKUIXQRZYCV-UHFFFAOYSA-N 1 2 340.402 2.431 10 30 EEEELO C[C@@]1(C#N)CCN(C(=O)Nc2ccccc2C[NH+]2CCOCC2)C1 ZINC000596695102 469337114 /nfs/dbraw/zinc/33/71/14/469337114.db2.gz OPLOBWAYNCLLIL-SFHVURJKSA-N 1 2 328.416 2.286 10 30 EEEELO Cc1cn2c([nH+]1)C[C@H](C(=O)N[C@@]1(C#N)CCc3ccccc3C1)CC2 ZINC000599771121 469362923 /nfs/dbraw/zinc/36/29/23/469362923.db2.gz FDUABDKQVYBSIR-UZLBHIALSA-N 1 2 334.423 2.321 10 30 EEEELO C=CC[C@H]1CCN(C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)C1 ZINC000629431398 469539655 /nfs/dbraw/zinc/53/96/55/469539655.db2.gz HZPZTPWKGBXILJ-HNNXBMFYSA-N 1 2 330.432 2.026 10 30 EEEELO C=C[C@H]([NH2+]C1CCN(C(=O)c2ccc(OCC)cc2)CC1)C(=O)OC ZINC000619700117 469666378 /nfs/dbraw/zinc/66/63/78/469666378.db2.gz XRIUXECTJMPISO-KRWDZBQOSA-N 1 2 346.427 2.007 10 30 EEEELO C=C(C)C[C@H]1NC(=O)N(c2cccc([C@@H](C)[NH+]3CCOCC3)c2)C1=O ZINC000630506061 469883186 /nfs/dbraw/zinc/88/31/86/469883186.db2.gz LMYTZDMHECRXTN-RHSMWYFYSA-N 1 2 343.427 2.471 10 30 EEEELO C=C(C)[C@@H](NS(=O)(=O)CCn1cc[nH+]c1)c1ccc(F)c(F)c1 ZINC000641433097 470358022 /nfs/dbraw/zinc/35/80/22/470358022.db2.gz RKCCWYYTUVAKRG-OAHLLOKOSA-N 1 2 341.383 2.398 10 30 EEEELO C=CCC1(C(=O)N[C@H]2CCCN(Cc3[nH+]ccn3C)C2=O)CCCC1 ZINC000649459346 470592292 /nfs/dbraw/zinc/59/22/92/470592292.db2.gz CKDZPZQHSRPUAU-HNNXBMFYSA-N 1 2 344.459 2.164 10 30 EEEELO C=CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000669019456 471351464 /nfs/dbraw/zinc/35/14/64/471351464.db2.gz DGZYWGHWPDAPSD-HZPDHXFCSA-N 1 2 340.427 2.202 10 30 EEEELO C=CC[C@H]1CCCC[C@@H]1NC(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000665394818 472033402 /nfs/dbraw/zinc/03/34/02/472033402.db2.gz VFFRQMCUSGTZBZ-ROUUACIJSA-N 1 2 345.491 2.382 10 30 EEEELO C=CCOCCNC(=O)N1CC[NH+](Cc2ccc(CC)s2)CC1 ZINC000679503310 485716504 /nfs/dbraw/zinc/71/65/04/485716504.db2.gz LMOLQFPTGWYGPE-UHFFFAOYSA-N 1 2 337.489 2.340 10 30 EEEELO C#C[C@@H]([NH2+]Cc1coc(-c2ccc(C(=O)OC)cc2)n1)[C@H]1CCCO1 ZINC000775795528 577445972 /nfs/dbraw/zinc/44/59/72/577445972.db2.gz NYMGJEHKPMFORJ-IAGOWNOFSA-N 1 2 340.379 2.399 10 30 EEEELO C=CCCN(OCc1ccccc1)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000187150568 674892025 /nfs/dbraw/zinc/89/20/25/674892025.db2.gz HFBAIEUIPIGSLM-KRWDZBQOSA-N 1 2 333.432 2.037 10 30 EEEELO C=CCCN(OCc1ccccc1)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000187150568 674892027 /nfs/dbraw/zinc/89/20/27/674892027.db2.gz HFBAIEUIPIGSLM-KRWDZBQOSA-N 1 2 333.432 2.037 10 30 EEEELO 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344.434 2.146 10 30 EEEELO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000459514261 245149469 /nfs/dbraw/zinc/14/94/69/245149469.db2.gz OOSUHDIAEVFKGO-MFKMUULPSA-N 1 2 329.278 2.212 10 30 EEEELO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000459514261 245149473 /nfs/dbraw/zinc/14/94/73/245149473.db2.gz OOSUHDIAEVFKGO-MFKMUULPSA-N 1 2 329.278 2.212 10 30 EEEELO Cc1ccc(C#N)cc1S(=O)(=O)N(C)c1ccc[nH+]c1N(C)C ZINC000080279875 217294708 /nfs/dbraw/zinc/29/47/08/217294708.db2.gz SODLUBBMGXLEBX-UHFFFAOYSA-N 1 2 330.413 2.153 10 30 EEEELO C[N@@H+]1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@H]1c1ccc(F)c(F)c1 ZINC000245663695 160247097 /nfs/dbraw/zinc/24/70/97/160247097.db2.gz IFSVQNQBFRLTHO-GDBMZVCRSA-N 1 2 330.338 2.340 10 30 EEEELO C[N@H+]1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@H]1c1ccc(F)c(F)c1 ZINC000245663695 160247098 /nfs/dbraw/zinc/24/70/98/160247098.db2.gz IFSVQNQBFRLTHO-GDBMZVCRSA-N 1 2 330.338 2.340 10 30 EEEELO CC[C@H](CS(=O)(=O)c1ccccc1)[NH2+]Cc1nc(C#N)cs1 ZINC000352831497 162303526 /nfs/dbraw/zinc/30/35/26/162303526.db2.gz DITYTQHXSCNMQP-GFCCVEGCSA-N 1 2 335.454 2.357 10 30 EEEELO Cn1cc(C#N)cc1C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000360904648 164399513 /nfs/dbraw/zinc/39/95/13/164399513.db2.gz UFWRPFJNDFWDJU-UHFFFAOYSA-N 1 2 325.416 2.426 10 30 EEEELO C[C@H]1C[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CCS1 ZINC000171687838 227220308 /nfs/dbraw/zinc/22/03/08/227220308.db2.gz AWATUXOFSOTQJY-ZDUSSCGKSA-N 1 2 341.440 2.120 10 30 EEEELO C[C@H]1C[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CCS1 ZINC000171687838 227220310 /nfs/dbraw/zinc/22/03/10/227220310.db2.gz AWATUXOFSOTQJY-ZDUSSCGKSA-N 1 2 341.440 2.120 10 30 EEEELO CCCCCCN(CC[NH+]1CCOCC1)C(=O)c1cc(C#N)ccn1 ZINC000287489929 266024003 /nfs/dbraw/zinc/02/40/03/266024003.db2.gz JLQHZRNANDPSBS-UHFFFAOYSA-N 1 2 344.459 2.308 10 30 EEEELO N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCO[C@@H](c2ccsc2)C1 ZINC000528401336 268296745 /nfs/dbraw/zinc/29/67/45/268296745.db2.gz AUMBCZUGABRXQS-FUHWJXTLSA-N 1 2 344.436 2.433 10 30 EEEELO N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CCO[C@@H](c2ccsc2)C1 ZINC000528401336 268296748 /nfs/dbraw/zinc/29/67/48/268296748.db2.gz AUMBCZUGABRXQS-FUHWJXTLSA-N 1 2 344.436 2.433 10 30 EEEELO Cc1oc(NC(=O)[C@@H](C)[N@H+](C)Cc2cnn(C)c2C)c(C#N)c1C ZINC000567557072 319389477 /nfs/dbraw/zinc/38/94/77/319389477.db2.gz ZAJIQUXEEHBEDB-GFCCVEGCSA-N 1 2 329.404 2.269 10 30 EEEELO Cc1oc(NC(=O)[C@@H](C)[N@@H+](C)Cc2cnn(C)c2C)c(C#N)c1C ZINC000567557072 319389479 /nfs/dbraw/zinc/38/94/79/319389479.db2.gz ZAJIQUXEEHBEDB-GFCCVEGCSA-N 1 2 329.404 2.269 10 30 EEEELO O=C(NC1CC1)[C@H](O)C1CC[NH+](Cc2cnc(Cl)s2)CC1 ZINC000328633546 465081265 /nfs/dbraw/zinc/08/12/65/465081265.db2.gz MDSZSGRVSYTUHH-GFCCVEGCSA-N 1 2 329.853 2.488 10 30 EEEELO CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000328927687 465171221 /nfs/dbraw/zinc/17/12/21/465171221.db2.gz GAEPIVOGKBYWNK-COPLHBTASA-N 1 2 336.461 2.171 10 30 EEEELO CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000328927687 465171225 /nfs/dbraw/zinc/17/12/25/465171225.db2.gz GAEPIVOGKBYWNK-COPLHBTASA-N 1 2 336.461 2.171 10 30 EEEELO O=C(NC1CCN(c2cccc[nH+]2)CC1)C1(N2CCOCC2)CCC1 ZINC000329098438 465232700 /nfs/dbraw/zinc/23/27/00/465232700.db2.gz LXDWFLLZCIMSOL-UHFFFAOYSA-N 1 2 344.459 2.262 10 30 EEEELO C=CCCCN(C)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000077542534 463003598 /nfs/dbraw/zinc/00/35/98/463003598.db2.gz TVJQQBZAAWJWTC-GOSISDBHSA-N 1 2 331.460 2.495 10 30 EEEELO C=CCCCN(C)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000077542534 463003603 /nfs/dbraw/zinc/00/36/03/463003603.db2.gz TVJQQBZAAWJWTC-GOSISDBHSA-N 1 2 331.460 2.495 10 30 EEEELO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000069621388 463288594 /nfs/dbraw/zinc/28/85/94/463288594.db2.gz HVHFEDQVZHCUHN-LSDHHAIUSA-N 1 2 346.456 2.034 10 30 EEEELO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1CC(=O)Nc1sccc1C#N ZINC000069621388 463288598 /nfs/dbraw/zinc/28/85/98/463288598.db2.gz HVHFEDQVZHCUHN-LSDHHAIUSA-N 1 2 346.456 2.034 10 30 EEEELO C#CCOc1ccccc1C[N@H+](C)CC(=O)Nc1c(C)n[nH]c1C ZINC000069894024 463345463 /nfs/dbraw/zinc/34/54/63/463345463.db2.gz MJWKJEIFHNHSGI-UHFFFAOYSA-N 1 2 326.400 2.109 10 30 EEEELO C#CCOc1ccccc1C[N@@H+](C)CC(=O)Nc1c(C)n[nH]c1C ZINC000069894024 463345470 /nfs/dbraw/zinc/34/54/70/463345470.db2.gz MJWKJEIFHNHSGI-UHFFFAOYSA-N 1 2 326.400 2.109 10 30 EEEELO Cc1nc(N2CCN(C(=O)c3ccc(C4(C#N)CC4)cc3)CC2)cc[nH+]1 ZINC000185419438 463818943 /nfs/dbraw/zinc/81/89/43/463818943.db2.gz VGCKDWXTPGGTBA-UHFFFAOYSA-N 1 2 347.422 2.303 10 30 EEEELO N#CC1(NC(=O)C[N@@H+]2CCC[C@@]3(C2)OCc2ccccc23)CCC1 ZINC000553907246 468382754 /nfs/dbraw/zinc/38/27/54/468382754.db2.gz ZCRYNMNAXBSFHM-IBGZPJMESA-N 1 2 325.412 2.070 10 30 EEEELO N#CC1(NC(=O)C[N@H+]2CCC[C@@]3(C2)OCc2ccccc23)CCC1 ZINC000553907246 468382759 /nfs/dbraw/zinc/38/27/59/468382759.db2.gz ZCRYNMNAXBSFHM-IBGZPJMESA-N 1 2 325.412 2.070 10 30 EEEELO C[C@@H]1CN(C(=O)c2ccc(C3(C#N)CC3)cc2)C[C@@H]1[NH+]1CCOCC1 ZINC000180484955 464320621 /nfs/dbraw/zinc/32/06/21/464320621.db2.gz FFMAMDPFINOKIT-QAPCUYQASA-N 1 2 339.439 2.034 10 30 EEEELO C=CCN(CC=C)C(=O)C[N@@H+](C)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000264824439 464479555 /nfs/dbraw/zinc/47/95/55/464479555.db2.gz FASFMUPFVWWCCT-QGZVFWFLSA-N 1 2 345.418 2.063 10 30 EEEELO C=CCN(CC=C)C(=O)C[N@H+](C)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000264824439 464479562 /nfs/dbraw/zinc/47/95/62/464479562.db2.gz FASFMUPFVWWCCT-QGZVFWFLSA-N 1 2 345.418 2.063 10 30 EEEELO CC1(C#N)CC[NH+](CC(=O)Nc2ccc(N3CCOCC3)cc2)CC1 ZINC000272520727 464642364 /nfs/dbraw/zinc/64/23/64/464642364.db2.gz HEQMLCTUCDTYCN-UHFFFAOYSA-N 1 2 342.443 2.087 10 30 EEEELO CC(C)(CNC(=O)c1ccc(C2(C#N)CC2)cc1)[NH+]1CCOCC1 ZINC000182423588 464653100 /nfs/dbraw/zinc/65/31/00/464653100.db2.gz XFZDWNGPMAHPKX-UHFFFAOYSA-N 1 2 327.428 2.082 10 30 EEEELO C[C@@H](C#N)CNC(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000182655692 464703199 /nfs/dbraw/zinc/70/31/99/464703199.db2.gz GLBBBKWWZFESFC-QWHCGFSZSA-N 1 2 336.386 2.388 10 30 EEEELO C[C@@H](C#N)CNC(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000182655692 464703200 /nfs/dbraw/zinc/70/32/00/464703200.db2.gz GLBBBKWWZFESFC-QWHCGFSZSA-N 1 2 336.386 2.388 10 30 EEEELO C[C@H](NC(=O)NCc1[nH+]ccn1CC(F)(F)F)C1CCOCC1 ZINC000331026865 465903501 /nfs/dbraw/zinc/90/35/01/465903501.db2.gz PRCYBBBIWRJFDM-JTQLQIEISA-N 1 2 334.342 2.264 10 30 EEEELO C[C@@H]([NH2+][C@@H](Cc1ccccc1)c1ncco1)C(=O)NC1(C#N)CCC1 ZINC000594056207 468474780 /nfs/dbraw/zinc/47/47/80/468474780.db2.gz SPWLZFRECIDASX-ZBFHGGJFSA-N 1 2 338.411 2.499 10 30 EEEELO Cn1cc[nH+]c1[C@@H](NC(=O)c1cc(C#N)ccn1)c1ccccc1F ZINC000350403887 466482582 /nfs/dbraw/zinc/48/25/82/466482582.db2.gz PZMKWQNHSLKVGS-INIZCTEOSA-N 1 2 335.342 2.345 10 30 EEEELO C=C(C)CS(=O)(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000373820706 466932149 /nfs/dbraw/zinc/93/21/49/466932149.db2.gz YGLBOCSOKHEPHI-CYBMUJFWSA-N 1 2 344.427 2.425 10 30 EEEELO C=C(C)CS(=O)(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000373820706 466932154 /nfs/dbraw/zinc/93/21/54/466932154.db2.gz YGLBOCSOKHEPHI-CYBMUJFWSA-N 1 2 344.427 2.425 10 30 EEEELO N#Cc1ccc(OCCC[NH+]2CCC(c3n[nH]c(=O)[nH]3)CC2)cc1 ZINC000373831391 466934861 /nfs/dbraw/zinc/93/48/61/466934861.db2.gz MFRCCEMMJOZGKW-UHFFFAOYSA-N 1 2 327.388 2.030 10 30 EEEELO N#Cc1cccc(NC(=O)CC[NH2+][C@@H](c2nnc[nH]2)c2ccccc2)c1 ZINC000439439873 467567364 /nfs/dbraw/zinc/56/73/64/467567364.db2.gz NCJSGGHEMUOANP-GOSISDBHSA-N 1 2 346.394 2.384 10 30 EEEELO N#CC1(C[C@@H](O)C[N@@H+]2CCc3c(ncn3-c3ccc(F)cc3)C2)CC1 ZINC000528439765 467683711 /nfs/dbraw/zinc/68/37/11/467683711.db2.gz GBWSAJRPYJRNRE-MRXNPFEDSA-N 1 2 340.402 2.424 10 30 EEEELO N#CC1(C[C@@H](O)C[N@H+]2CCc3c(ncn3-c3ccc(F)cc3)C2)CC1 ZINC000528439765 467683714 /nfs/dbraw/zinc/68/37/14/467683714.db2.gz GBWSAJRPYJRNRE-MRXNPFEDSA-N 1 2 340.402 2.424 10 30 EEEELO CN(C)c1[nH+]cccc1CNC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1 ZINC000471744040 467973332 /nfs/dbraw/zinc/97/33/32/467973332.db2.gz KEMXMUNOXJBFDA-QGZVFWFLSA-N 1 2 333.395 2.018 10 30 EEEELO COc1cc(CNC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)ccc1C#N ZINC000589709065 468179330 /nfs/dbraw/zinc/17/93/30/468179330.db2.gz GDHWBTMLXSFIKR-INIZCTEOSA-N 1 2 339.399 2.310 10 30 EEEELO C=CCCCCCNC(=O)C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000577887342 468193313 /nfs/dbraw/zinc/19/33/13/468193313.db2.gz OHXIVNZXHQPOEE-UHFFFAOYSA-N 1 2 348.834 2.467 10 30 EEEELO Cc1cnc([C@@H](C)[NH+]2CCN(c3oc(C4CC4)nc3C#N)CC2)cn1 ZINC000589984906 468201230 /nfs/dbraw/zinc/20/12/30/468201230.db2.gz FTYOCQCGDYISLJ-CYBMUJFWSA-N 1 2 338.415 2.405 10 30 EEEELO CCOC(=O)c1cnc(N2CC[NH+]([C@H]3CC[C@@H](C#N)C3)CC2)s1 ZINC000590162061 468219857 /nfs/dbraw/zinc/21/98/57/468219857.db2.gz DOFHPOFANFHFEQ-OLZOCXBDSA-N 1 2 334.445 2.134 10 30 EEEELO N#CC1(CC(=O)N2CCN(c3cc(C(F)(F)F)cc[nH+]3)CC2)CC1 ZINC000590331182 468237211 /nfs/dbraw/zinc/23/72/11/468237211.db2.gz WOUGNLNSIMOURM-UHFFFAOYSA-N 1 2 338.333 2.443 10 30 EEEELO CN(C)c1[nH]c2ccc(NC(=O)CC3(C#N)CCOCC3)cc2[nH+]1 ZINC000597586149 468608509 /nfs/dbraw/zinc/60/85/09/468608509.db2.gz XVCLAPJFQMDZOA-UHFFFAOYSA-N 1 2 327.388 2.278 10 30 EEEELO N#Cc1ccnc(C(=O)N(CCn2cc[nH+]c2)C2CCSCC2)c1 ZINC000597639813 468623691 /nfs/dbraw/zinc/62/36/91/468623691.db2.gz FMEJSLVRACUZAG-UHFFFAOYSA-N 1 2 341.440 2.188 10 30 EEEELO N#Cc1cccnc1N1CC[NH+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595290061 468801090 /nfs/dbraw/zinc/80/10/90/468801090.db2.gz UJOIIRZSYUDYRO-UHFFFAOYSA-N 1 2 341.346 2.323 10 30 EEEELO COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@H+](Cc2ccncc2C#N)C1 ZINC000595628186 468929201 /nfs/dbraw/zinc/92/92/01/468929201.db2.gz WWEFXRXECBTKTI-YPMHNXCESA-N 1 2 327.306 2.127 10 30 EEEELO COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@@H+](Cc2ccncc2C#N)C1 ZINC000595628186 468929205 /nfs/dbraw/zinc/92/92/05/468929205.db2.gz WWEFXRXECBTKTI-YPMHNXCESA-N 1 2 327.306 2.127 10 30 EEEELO C=CCN(C(=O)Cn1cc[nH+]c1)[C@H](Cc1ccccc1)C(=O)OCC ZINC000562328154 468937346 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ZINC001567202435 1342711237 /nfs/dbraw/zinc/71/12/37/1342711237.db2.gz GWEZLLZHRPETKO-IBGZPJMESA-N 1 2 348.450 2.341 10 30 EEEELO CC(C)C#CC(=O)NCCC[C@@H]1CCC[N@@H+]1Cc1noc(C2CC2)n1 ZINC001567249497 1342719494 /nfs/dbraw/zinc/71/94/94/1342719494.db2.gz IXBKEVOOVOGQGV-MRXNPFEDSA-N 1 2 344.459 2.467 10 30 EEEELO CC(C)C#CC(=O)NCCC[C@@H]1CCC[N@H+]1Cc1noc(C2CC2)n1 ZINC001567249497 1342719497 /nfs/dbraw/zinc/71/94/97/1342719497.db2.gz IXBKEVOOVOGQGV-MRXNPFEDSA-N 1 2 344.459 2.467 10 30 EEEELO C=C(C)CCC(=O)NCC1C[NH+](CC(=O)N(C)Cc2cccs2)C1 ZINC001567831338 1342847035 /nfs/dbraw/zinc/84/70/35/1342847035.db2.gz PWQQWWVVLINTIV-UHFFFAOYSA-N 1 2 349.500 2.111 10 30 EEEELO C#CCN(C(=O)c1ccc(C)o1)C1CC[NH+](Cc2cnns2)CC1 ZINC001569581596 1342901455 /nfs/dbraw/zinc/90/14/55/1342901455.db2.gz DNTDUMDEAFMLQD-UHFFFAOYSA-N 1 2 344.440 2.180 10 30 EEEELO C=CCCCC(=O)NC[C@H]1COCC[N@H+]1C[C@H](O)C1CCCCC1 ZINC001570070565 1343008528 /nfs/dbraw/zinc/00/85/28/1343008528.db2.gz XBMRWKXTVUDUSJ-ROUUACIJSA-N 1 2 338.492 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1343070748 /nfs/dbraw/zinc/07/07/48/1343070748.db2.gz OHOIGZYKAVHFSI-GJZGRUSLSA-N 1 2 333.480 2.369 10 30 EEEELO CC#CCCCC(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3nc(C(C)C)no3)C[C@H]21 ZINC001570946384 1343141815 /nfs/dbraw/zinc/14/18/15/1343141815.db2.gz BOWAOHTXYZLSFA-PHZGNYQRSA-N 1 2 344.459 2.181 10 30 EEEELO CC#CCCCC(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3nc(C(C)C)no3)C[C@H]21 ZINC001570946384 1343141819 /nfs/dbraw/zinc/14/18/19/1343141819.db2.gz BOWAOHTXYZLSFA-PHZGNYQRSA-N 1 2 344.459 2.181 10 30 EEEELO C=C1CC(C)(C(=O)N(C)[C@@H](C)CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001571845974 1343319953 /nfs/dbraw/zinc/31/99/53/1343319953.db2.gz SZRGOBMGWZEQJN-ZDUSSCGKSA-N 1 2 340.427 2.496 10 30 EEEELO C=CCCC(=O)N1CCCC[C@H]1[C@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001579036036 1344333039 /nfs/dbraw/zinc/33/30/39/1344333039.db2.gz YGABWUNYCALREU-JKSUJKDBSA-N 1 2 344.459 2.291 10 30 EEEELO CC#CCCCC(=O)N1C[C@H]([NH2+]Cc2nnc(C(C)C)o2)C[C@@H]1C ZINC001676748178 1357192286 /nfs/dbraw/zinc/19/22/86/1357192286.db2.gz CAQQOFQFWGYQFO-LSDHHAIUSA-N 1 2 332.448 2.466 10 30 EEEELO C#CCCCC(=O)N1C[C@H]([NH2+][C@H](C)c2nc(CC)no2)C(C)(C)C1 ZINC001676994349 1357257735 /nfs/dbraw/zinc/25/77/35/1357257735.db2.gz NGMAQNYBVLJQPD-KGLIPLIRSA-N 1 2 332.448 2.323 10 30 EEEELO C=C(C)C(C)(C)C(=O)NCC1(NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001585099580 1348778934 /nfs/dbraw/zinc/77/89/34/1348778934.db2.gz GAELTQHQOCPUQP-CYBMUJFWSA-N 1 2 344.459 2.197 10 30 EEEELO C=CC(C)(C)CC(=O)NC[C@@H](C)N(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001678183494 1357479976 /nfs/dbraw/zinc/47/99/76/1357479976.db2.gz QFJUZORELMXRMS-CABCVRRESA-N 1 2 346.475 2.011 10 30 EEEELO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)OCC1(CC#N)COC1 ZINC001646888759 1353027698 /nfs/dbraw/zinc/02/76/98/1353027698.db2.gz USUHUQGKRONMJJ-UHFFFAOYSA-N 1 2 335.310 2.096 10 30 EEEELO N#CCOc1cccc(CC(=O)N2CCC(Cc3c[nH]c[nH+]3)CC2)c1 ZINC001649352593 1353492215 /nfs/dbraw/zinc/49/22/15/1353492215.db2.gz HHCVAEVYZOHEFZ-UHFFFAOYSA-N 1 2 338.411 2.336 10 30 EEEELO 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1354859355 /nfs/dbraw/zinc/85/93/55/1354859355.db2.gz YMRKFTMIFRQCMW-QGZVFWFLSA-N 1 2 331.464 2.085 10 30 EEEELO C#CCCCC(=O)N1CCC[C@@H]([N@H+](C)Cc2cn(C(C)C)nn2)C1 ZINC001662834592 1354859361 /nfs/dbraw/zinc/85/93/61/1354859361.db2.gz YMRKFTMIFRQCMW-QGZVFWFLSA-N 1 2 331.464 2.085 10 30 EEEELO Cc1nnc([C@H](C)[N@H+](C)[C@@H]2CCCN(C(=O)C#CC(C)(C)C)C2)[nH]1 ZINC001662838840 1354859964 /nfs/dbraw/zinc/85/99/64/1354859964.db2.gz KJKAVERWYWDLJL-DZGCQCFKSA-N 1 2 331.464 2.146 10 30 EEEELO Cc1nnc([C@H](C)[N@@H+](C)[C@@H]2CCCN(C(=O)C#CC(C)(C)C)C2)[nH]1 ZINC001662838840 1354859970 /nfs/dbraw/zinc/85/99/70/1354859970.db2.gz KJKAVERWYWDLJL-DZGCQCFKSA-N 1 2 331.464 2.146 10 30 EEEELO CC(C)(C)C#CC(=O)NC[C@@H]1CC[N@H+](Cc2ncnn2C(C)(C)C)C1 ZINC001663587201 1354994041 /nfs/dbraw/zinc/99/40/41/1354994041.db2.gz FUXLEILUZPFWHG-HNNXBMFYSA-N 1 2 345.491 2.021 10 30 EEEELO CC(C)(C)C#CC(=O)NC[C@@H]1CC[N@@H+](Cc2ncnn2C(C)(C)C)C1 ZINC001663587201 1354994043 /nfs/dbraw/zinc/99/40/43/1354994043.db2.gz FUXLEILUZPFWHG-HNNXBMFYSA-N 1 2 345.491 2.021 10 30 EEEELO CC(C)(C)C#CC(=O)NC[C@H]1CC[N@H+](Cc2ncnn2C(C)(C)C)C1 ZINC001663587202 1354994252 /nfs/dbraw/zinc/99/42/52/1354994252.db2.gz FUXLEILUZPFWHG-OAHLLOKOSA-N 1 2 345.491 2.021 10 30 EEEELO CC(C)(C)C#CC(=O)NC[C@H]1CC[N@@H+](Cc2ncnn2C(C)(C)C)C1 ZINC001663587202 1354994255 /nfs/dbraw/zinc/99/42/55/1354994255.db2.gz FUXLEILUZPFWHG-OAHLLOKOSA-N 1 2 345.491 2.021 10 30 EEEELO C=C[C@@](C)(O)CC(=O)NC[C@H]([NH2+]Cc1cnc(C)o1)c1ccccc1 ZINC001664578469 1355195707 /nfs/dbraw/zinc/19/57/07/1355195707.db2.gz OCXWIBLOIBNKLE-PKOBYXMFSA-N 1 2 343.427 2.257 10 30 EEEELO C=CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)C2(CC(C)C)CCC2)C1 ZINC001665004678 1355262510 /nfs/dbraw/zinc/26/25/10/1355262510.db2.gz KNJSHBIQNMBXOM-MRXNPFEDSA-N 1 2 335.492 2.086 10 30 EEEELO C=CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)C2(CC(C)C)CCC2)C1 ZINC001665004678 1355262514 /nfs/dbraw/zinc/26/25/14/1355262514.db2.gz KNJSHBIQNMBXOM-MRXNPFEDSA-N 1 2 335.492 2.086 10 30 EEEELO C=CCOCC(=O)NCC1C[NH+](Cc2ccc(F)c(Cl)c2)C1 ZINC001665263217 1355284870 /nfs/dbraw/zinc/28/48/70/1355284870.db2.gz OESGZUIZLRYNNH-UHFFFAOYSA-N 1 2 326.799 2.230 10 30 EEEELO C=CCC1(C(=O)N2CCC[C@@H]2C[NH2+]Cc2nnc(CC)o2)CCC1 ZINC001666454042 1355528642 /nfs/dbraw/zinc/52/86/42/1355528642.db2.gz NLXQMCTWIFPNNR-CQSZACIVSA-N 1 2 332.448 2.459 10 30 EEEELO C=CCCC(=O)NC[C@H]1C[N@H+](Cc2ccc(OC)c(C)c2)CCO1 ZINC001666692151 1355567488 /nfs/dbraw/zinc/56/74/88/1355567488.db2.gz ULLFPOSVOBBKRP-KRWDZBQOSA-N 1 2 332.444 2.287 10 30 EEEELO C=CCCC(=O)NC[C@H]1C[N@@H+](Cc2ccc(OC)c(C)c2)CCO1 ZINC001666692151 1355567495 /nfs/dbraw/zinc/56/74/95/1355567495.db2.gz ULLFPOSVOBBKRP-KRWDZBQOSA-N 1 2 332.444 2.287 10 30 EEEELO C=C[C@@](C)(CC)C(=O)NC[C@H]1C[N@H+](CCOc2ccccc2)CCO1 ZINC001666719242 1355575030 /nfs/dbraw/zinc/57/50/30/1355575030.db2.gz FTMTWSISFXNMAV-ICSRJNTNSA-N 1 2 346.471 2.485 10 30 EEEELO C=C[C@@](C)(CC)C(=O)NC[C@H]1C[N@@H+](CCOc2ccccc2)CCO1 ZINC001666719242 1355575036 /nfs/dbraw/zinc/57/50/36/1355575036.db2.gz FTMTWSISFXNMAV-ICSRJNTNSA-N 1 2 346.471 2.485 10 30 EEEELO C=CC[N@@H+]1CCO[C@H](CNC(=O)Cc2ccc3c(c2)CCCC3)C1 ZINC001666734358 1355581285 /nfs/dbraw/zinc/58/12/85/1355581285.db2.gz HJQYWZVZIRQCIK-LJQANCHMSA-N 1 2 328.456 2.111 10 30 EEEELO C=CC[N@H+]1CCO[C@H](CNC(=O)Cc2ccc3c(c2)CCCC3)C1 ZINC001666734358 1355581288 /nfs/dbraw/zinc/58/12/88/1355581288.db2.gz HJQYWZVZIRQCIK-LJQANCHMSA-N 1 2 328.456 2.111 10 30 EEEELO C#CCN(C(=O)C=C(C)C)C1CC[NH+]([C@@H](C)c2ncccn2)CC1 ZINC001671450532 1356341688 /nfs/dbraw/zinc/34/16/88/1356341688.db2.gz MNPDLRJVQPYQLF-INIZCTEOSA-N 1 2 326.444 2.430 10 30 EEEELO C#CCCCCCC(=O)N1CCCC[C@@H]1C[NH2+]Cc1nnc(C)o1 ZINC001673115982 1356647087 /nfs/dbraw/zinc/64/70/87/1356647087.db2.gz JFGSIDFEMXAZGS-MRXNPFEDSA-N 1 2 332.448 2.432 10 30 EEEELO C=CCC(CC=C)C(=O)N(C)C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001679577631 1357725773 /nfs/dbraw/zinc/72/57/73/1357725773.db2.gz BPNAJZIZMNKCMU-UHFFFAOYSA-N 1 2 344.459 2.170 10 30 EEEELO C=C(C)CCC(=O)N[C@H]1CCC[N@H+](Cc2ncnn2CCF)CC1 ZINC001673381567 1356681600 /nfs/dbraw/zinc/68/16/00/1356681600.db2.gz SSNKWKRBNZHSJU-HNNXBMFYSA-N 1 2 337.443 2.075 10 30 EEEELO C=C(C)CCC(=O)N[C@H]1CCC[N@@H+](Cc2ncnn2CCF)CC1 ZINC001673381567 1356681606 /nfs/dbraw/zinc/68/16/06/1356681606.db2.gz SSNKWKRBNZHSJU-HNNXBMFYSA-N 1 2 337.443 2.075 10 30 EEEELO O=C(C#CC1CC1)N[C@H]1COC2(C[NH+](Cc3ccc4cc[nH]c4c3)C2)C1 ZINC001673561054 1356710320 /nfs/dbraw/zinc/71/03/20/1356710320.db2.gz IWHYNOPQRHMQKY-GOSISDBHSA-N 1 2 349.434 2.041 10 30 EEEELO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H](CC)c1ccc(F)cc1)CO2 ZINC001673580557 1356714712 /nfs/dbraw/zinc/71/47/12/1356714712.db2.gz PFIYTETVHLYVIY-MSOLQXFVSA-N 1 2 344.430 2.302 10 30 EEEELO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)COC1CCC(C)CC1)CO2 ZINC001673580140 1356714959 /nfs/dbraw/zinc/71/49/59/1356714959.db2.gz JWRJREPGERMUTH-CGZBRXJRSA-N 1 2 336.476 2.117 10 30 EEEELO Cc1cc(C[N@H+](C)C[C@@H]2CCCN2C(=O)C#CC(C)(C)C)nn1C ZINC001674450167 1356835867 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C=CCCC(=O)NCc1ccc2c(c1)C[N@H+](CC(=O)N(C)C(C)C)C2 ZINC001484875104 1191559281 /nfs/dbraw/zinc/55/92/81/1191559281.db2.gz UKPGPCZSTQGPMQ-UHFFFAOYSA-N 1 2 343.471 2.451 10 30 EEEELO C=CCCC(=O)NCc1ccc2c(c1)C[N@@H+](CC(=O)N(C)C(C)C)C2 ZINC001484875104 1191559282 /nfs/dbraw/zinc/55/92/82/1191559282.db2.gz UKPGPCZSTQGPMQ-UHFFFAOYSA-N 1 2 343.471 2.451 10 30 EEEELO CCc1nnc([C@@H](C)[N@@H+]2CC[C@H](NC(=O)C#CC(C)C)C(C)(C)C2)[nH]1 ZINC001484934523 1191578646 /nfs/dbraw/zinc/57/86/46/1191578646.db2.gz JUBAUTFNFXPAER-CABCVRRESA-N 1 2 345.491 2.304 10 30 EEEELO CCc1nnc([C@@H](C)[N@H+]2CC[C@H](NC(=O)C#CC(C)C)C(C)(C)C2)[nH]1 ZINC001484934523 1191578647 /nfs/dbraw/zinc/57/86/47/1191578647.db2.gz JUBAUTFNFXPAER-CABCVRRESA-N 1 2 345.491 2.304 10 30 EEEELO C#CC[N@@H+]1CCOC2(CCN(C(=O)CC(C)(C)CC(F)F)CC2)C1 ZINC001485008199 1191613686 /nfs/dbraw/zinc/61/36/86/1191613686.db2.gz IMJBMNMHBBQMMC-UHFFFAOYSA-N 1 2 342.430 2.385 10 30 EEEELO C#CC[N@H+]1CCOC2(CCN(C(=O)CC(C)(C)CC(F)F)CC2)C1 ZINC001485008199 1191613687 /nfs/dbraw/zinc/61/36/87/1191613687.db2.gz IMJBMNMHBBQMMC-UHFFFAOYSA-N 1 2 342.430 2.385 10 30 EEEELO C=CCCOCC(=O)N1CCC2(CC1)C[N@H+](C[C@H](F)CC)CCO2 ZINC001485010313 1191615171 /nfs/dbraw/zinc/61/51/71/1191615171.db2.gz VVXCRVCANCJJHI-MRXNPFEDSA-N 1 2 342.455 2.021 10 30 EEEELO C=CCCOCC(=O)N1CCC2(CC1)C[N@@H+](C[C@H](F)CC)CCO2 ZINC001485010313 1191615172 /nfs/dbraw/zinc/61/51/72/1191615172.db2.gz VVXCRVCANCJJHI-MRXNPFEDSA-N 1 2 342.455 2.021 10 30 EEEELO C=C(C)C[NH+]1CC(CCO)(NC(=O)c2cc(C)cc(OC)c2C)C1 ZINC001485408799 1191776431 /nfs/dbraw/zinc/77/64/31/1191776431.db2.gz SDXCEHHOZVQTHS-UHFFFAOYSA-N 1 2 332.444 2.055 10 30 EEEELO CCn1nnc(C)c1C[N@H+](C)CCN(C(=O)C#CC(C)(C)C)C(C)C ZINC001486367710 1193867313 /nfs/dbraw/zinc/86/73/13/1193867313.db2.gz CBJUOIQJVLEXMF-UHFFFAOYSA-N 1 2 347.507 2.325 10 30 EEEELO CCn1nnc(C)c1C[N@@H+](C)CCN(C(=O)C#CC(C)(C)C)C(C)C ZINC001486367710 1193867319 /nfs/dbraw/zinc/86/73/19/1193867319.db2.gz CBJUOIQJVLEXMF-UHFFFAOYSA-N 1 2 347.507 2.325 10 30 EEEELO C=CC1(CC(=O)N(CC[N@@H+](C)CC(=O)NC)C(C)C)CCCCC1 ZINC001486377349 1193885765 /nfs/dbraw/zinc/88/57/65/1193885765.db2.gz YZXRTMBBKUFHED-UHFFFAOYSA-N 1 2 337.508 2.428 10 30 EEEELO C=CC1(CC(=O)N(CC[N@H+](C)CC(=O)NC)C(C)C)CCCCC1 ZINC001486377349 1193885770 /nfs/dbraw/zinc/88/57/70/1193885770.db2.gz YZXRTMBBKUFHED-UHFFFAOYSA-N 1 2 337.508 2.428 10 30 EEEELO CC/C(C)=C\C(=O)NCC[N@@H+](CC#Cc1ccccc1)CCOC ZINC001486428227 1193942451 /nfs/dbraw/zinc/94/24/51/1193942451.db2.gz GWKLDSLQJAORTB-ZCXUNETKSA-N 1 2 328.456 2.459 10 30 EEEELO CC/C(C)=C\C(=O)NCC[N@H+](CC#Cc1ccccc1)CCOC ZINC001486428227 1193942454 /nfs/dbraw/zinc/94/24/54/1193942454.db2.gz GWKLDSLQJAORTB-ZCXUNETKSA-N 1 2 328.456 2.459 10 30 EEEELO C=CCC(C)(C)C(=O)N(C)C[C@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001486566999 1194080944 /nfs/dbraw/zinc/08/09/44/1194080944.db2.gz OAMPYTJLATVLKH-CQSZACIVSA-N 1 2 332.448 2.004 10 30 EEEELO C=CC(C)(C)CC(=O)N(C)[C@@H](C)CNC(=O)Cc1c[nH+]ccc1OC ZINC001486910603 1197071635 /nfs/dbraw/zinc/07/16/35/1197071635.db2.gz DQFNGLRHMQRRFV-AWEZNQCLSA-N 1 2 347.459 2.198 10 30 EEEELO C=CCCCC(=O)NC[C@H](C)N(C)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001486979140 1197123207 /nfs/dbraw/zinc/12/32/07/1197123207.db2.gz RWJQHODWZUBWOR-HNNXBMFYSA-N 1 2 346.475 2.081 10 30 EEEELO C#CCCCCC(=O)N1CCCCC[C@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC001487137261 1197241440 /nfs/dbraw/zinc/24/14/40/1197241440.db2.gz GANCWBFZOMGQFK-KRWDZBQOSA-N 1 2 344.459 2.033 10 30 EEEELO CCN(CC[NH2+]Cc1nc2c(o1)CCCC2)C(=O)c1c[nH]c(C#N)c1 ZINC001273340863 1198240517 /nfs/dbraw/zinc/24/05/17/1198240517.db2.gz IVNWGJMYGUYOLM-UHFFFAOYSA-N 1 2 341.415 2.005 10 30 EEEELO COCCC(=O)N(CC[N@H+](C)Cc1cc(C#N)ccc1F)C(C)C ZINC001411182660 1198870533 /nfs/dbraw/zinc/87/05/33/1198870533.db2.gz MJIPBVXHCZSDDX-UHFFFAOYSA-N 1 2 335.423 2.403 10 30 EEEELO COCCC(=O)N(CC[N@@H+](C)Cc1cc(C#N)ccc1F)C(C)C ZINC001411182660 1198870536 /nfs/dbraw/zinc/87/05/36/1198870536.db2.gz MJIPBVXHCZSDDX-UHFFFAOYSA-N 1 2 335.423 2.403 10 30 EEEELO C=C(C)CN(CC)C(=O)C[N@@H+]1CCc2cccc(NC(C)=O)c2C1 ZINC000879234559 1200944941 /nfs/dbraw/zinc/94/49/41/1200944941.db2.gz PJOIHSRVAYUGLW-UHFFFAOYSA-N 1 2 329.444 2.428 10 30 EEEELO C=C(C)CN(CC)C(=O)C[N@H+]1CCc2cccc(NC(C)=O)c2C1 ZINC000879234559 1200944946 /nfs/dbraw/zinc/94/49/46/1200944946.db2.gz PJOIHSRVAYUGLW-UHFFFAOYSA-N 1 2 329.444 2.428 10 30 EEEELO Cc1nc(NC2CC[NH+](CC(=O)OC(C)(C)C)CC2)ccc1C#N ZINC000866169272 1201453413 /nfs/dbraw/zinc/45/34/13/1201453413.db2.gz FDWDBAMICGLGTJ-UHFFFAOYSA-N 1 2 330.432 2.480 10 30 EEEELO COc1ccc(C(=O)NCC[NH2+][C@H](C)c2cccc(C#N)c2O)cc1 ZINC000866290561 1201485141 /nfs/dbraw/zinc/48/51/41/1201485141.db2.gz UHVFMGKKXMDKCO-CYBMUJFWSA-N 1 2 339.395 2.353 10 30 EEEELO C[C@H]([NH2+]C[C@H]1CCC2(CCOCC2)[C@H]1O)c1cccc(C#N)c1O ZINC000866355202 1201498768 /nfs/dbraw/zinc/49/87/68/1201498768.db2.gz VOBHSNJGAGYCEU-JOQOYGCGSA-N 1 2 330.428 2.482 10 30 EEEELO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1nc2c(s1)c(C)ccc2C ZINC000884057772 1202217435 /nfs/dbraw/zinc/21/74/35/1202217435.db2.gz PYSKLIDNIHPFKZ-NSHDSACASA-N 1 2 333.413 2.298 10 30 EEEELO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCCc1csc2ccccc12 ZINC000884094151 1202230757 /nfs/dbraw/zinc/23/07/57/1202230757.db2.gz CQBRWUABKCELHL-AWEZNQCLSA-N 1 2 332.425 2.007 10 30 EEEELO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1nc2c(s1)CCCCCC2 ZINC000884099698 1202231948 /nfs/dbraw/zinc/23/19/48/1202231948.db2.gz XAVPBDBAJIYYPE-NSHDSACASA-N 1 2 337.445 2.187 10 30 EEEELO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@H](c2ccccc2)[C@@H](CC)C1 ZINC000884168541 1202248291 /nfs/dbraw/zinc/24/82/91/1202248291.db2.gz HTPLAMQMNQLAPW-SZMVWBNQSA-N 1 2 344.455 2.475 10 30 EEEELO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)Cc1oc2c(cccc2C)c1C ZINC000884387000 1202307850 /nfs/dbraw/zinc/30/78/50/1202307850.db2.gz HDAWTZVSPWTGCL-HNNXBMFYSA-N 1 2 344.411 2.455 10 30 EEEELO C=CCn1cc2ccc(NC(=O)[C@@H](c3c[nH+]cn3C)N(C)C)cc2n1 ZINC000886649137 1202540491 /nfs/dbraw/zinc/54/04/91/1202540491.db2.gz QKDYCXQSCDYALP-QGZVFWFLSA-N 1 2 338.415 2.197 10 30 EEEELO CC(C)(C)C#CC(=O)NC/C=C\C[NH2+]Cc1noc2c1CCCC2 ZINC001274015488 1204320611 /nfs/dbraw/zinc/32/06/11/1204320611.db2.gz JEXGQBHOBLRFPE-SREVYHEPSA-N 1 2 329.444 2.365 10 30 EEEELO C=C(Cl)C[NH2+]C/C=C\CNC(=O)c1c[nH]c2ccccc2c1=O ZINC001274152994 1204412139 /nfs/dbraw/zinc/41/21/39/1204412139.db2.gz HUTOSJYCMOUAFH-PLNGDYQASA-N 1 2 331.803 2.156 10 30 EEEELO CC(C)C#CC(=O)N1CCC[C@H]1C[N@H+](C)Cc1cc2n(n1)CCCC2 ZINC001275109177 1205259023 /nfs/dbraw/zinc/25/90/23/1205259023.db2.gz XKRPCFHGRFDYCF-IBGZPJMESA-N 1 2 342.487 2.302 10 30 EEEELO CC(C)C#CC(=O)N1CCC[C@H]1C[N@@H+](C)Cc1cc2n(n1)CCCC2 ZINC001275109177 1205259026 /nfs/dbraw/zinc/25/90/26/1205259026.db2.gz XKRPCFHGRFDYCF-IBGZPJMESA-N 1 2 342.487 2.302 10 30 EEEELO C=CCC[NH+]1CC(CCO)(NC(=O)c2cnc(-c3ccco3)s2)C1 ZINC001276100912 1205780719 /nfs/dbraw/zinc/78/07/19/1205780719.db2.gz JEXDQZWZKQUHNO-UHFFFAOYSA-N 1 2 347.440 2.146 10 30 EEEELO C#C[C@@H]1CCCC[N@H+]1CC(=O)N(C)CC(=O)Nc1ccccc1Cl ZINC000934509984 1207976207 /nfs/dbraw/zinc/97/62/07/1207976207.db2.gz SOYIRIBRTFOUFW-CQSZACIVSA-N 1 2 347.846 2.225 10 30 EEEELO C#C[C@@H]1CCCC[N@@H+]1CC(=O)N(C)CC(=O)Nc1ccccc1Cl ZINC000934509984 1207976209 /nfs/dbraw/zinc/97/62/09/1207976209.db2.gz SOYIRIBRTFOUFW-CQSZACIVSA-N 1 2 347.846 2.225 10 30 EEEELO CC#CCCCC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2nnsc2Cl)C1 ZINC001691737766 1211171411 /nfs/dbraw/zinc/17/14/11/1211171411.db2.gz SSDCIKSVUIAHPN-TXEJJXNPSA-N 1 2 340.880 2.370 10 30 EEEELO C#CCCCOC(=O)[C@@H]1CCC(=O)N(CCC)[C@H]1c1c[nH+]cn1C ZINC000796087160 1215291674 /nfs/dbraw/zinc/29/16/74/1215291674.db2.gz LFTMDSLELXRJFV-RHSMWYFYSA-N 1 2 331.416 2.066 10 30 EEEELO CC(C)N(CCN(C)C(=O)[C@@H](C)C#N)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001413408437 1236694164 /nfs/dbraw/zinc/69/41/64/1236694164.db2.gz VMHXOJYFKSQBJT-ZDUSSCGKSA-N 1 2 341.415 2.032 10 30 EEEELO C[C@@H](C#N)C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cc(C#N)ccc1F ZINC001491205169 1258775238 /nfs/dbraw/zinc/77/52/38/1258775238.db2.gz QEXBLOKRLMGVLT-BBRMVZONSA-N 1 2 328.391 2.328 10 30 EEEELO C[C@@H](C#N)C(=O)NC[C@@H]1CCCC[N@H+]1Cc1cc(C#N)ccc1F ZINC001491205169 1258775245 /nfs/dbraw/zinc/77/52/45/1258775245.db2.gz QEXBLOKRLMGVLT-BBRMVZONSA-N 1 2 328.391 2.328 10 30 EEEELO C[C@@H](NC(=O)C#CC1CC1)[C@@H]1CCC[N@H+](Cc2nnc(C3CC3)o2)C1 ZINC001491285337 1258880441 /nfs/dbraw/zinc/88/04/41/1258880441.db2.gz GCBILJNMJIDLNJ-CZUORRHYSA-N 1 2 342.443 2.077 10 30 EEEELO C[C@@H](NC(=O)C#CC1CC1)[C@@H]1CCC[N@@H+](Cc2nnc(C3CC3)o2)C1 ZINC001491285337 1258880452 /nfs/dbraw/zinc/88/04/52/1258880452.db2.gz GCBILJNMJIDLNJ-CZUORRHYSA-N 1 2 342.443 2.077 10 30 EEEELO C=CCOCC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cc(C)c(C)o1)O2 ZINC001273655814 1282430402 /nfs/dbraw/zinc/43/04/02/1282430402.db2.gz OZMSAWDJBOWJJZ-MRXNPFEDSA-N 1 2 348.443 2.062 10 30 EEEELO C=CCNC(=O)c1ccc(NC(=O)NCc2cc[nH+]c(NC)c2)cc1 ZINC001198700695 1285280770 /nfs/dbraw/zinc/28/07/70/1285280770.db2.gz OCLSLEJRZSBQOL-UHFFFAOYSA-N 1 2 339.399 2.361 10 30 EEEELO C=CCC1(C(=O)N[C@@H]2C[C@H](C)N(C(=O)Cc3c[nH+]c[nH]3)C2)CCCC1 ZINC001488216359 1286911645 /nfs/dbraw/zinc/91/16/45/1286911645.db2.gz PZCXZOSPAPACDR-GOEBONIOSA-N 1 2 344.459 2.194 10 30 EEEELO C=CCCOCC(=O)N(C)C1CC[NH+](CC(=C)Br)CC1 ZINC001490424887 1291337028 /nfs/dbraw/zinc/33/70/28/1291337028.db2.gz JEEBEWWHZBWQOQ-UHFFFAOYSA-N 1 2 345.281 2.411 10 30 EEEELO C=C(C)CCC(=O)N[C@@H]1CC12CC[NH+](Cc1nc(CC)no1)CC2 ZINC001490593932 1291494539 /nfs/dbraw/zinc/49/45/39/1291494539.db2.gz BRTMBFOLZULGPU-CQSZACIVSA-N 1 2 332.448 2.459 10 30 EEEELO C#CCCCCC(=O)NC[C@@H]1CC[N@H+]1Cc1ccnc(N(C)C)c1 ZINC001276834971 1299824263 /nfs/dbraw/zinc/82/42/63/1299824263.db2.gz PCVKGZLSBHWHJV-KRWDZBQOSA-N 1 2 328.460 2.032 10 30 EEEELO C#CCCCCC(=O)NC[C@@H]1CC[N@@H+]1Cc1ccnc(N(C)C)c1 ZINC001276834971 1299824282 /nfs/dbraw/zinc/82/42/82/1299824282.db2.gz PCVKGZLSBHWHJV-KRWDZBQOSA-N 1 2 328.460 2.032 10 30 EEEELO C#Cc1ccc(C(=O)NC[C@@H](C)[NH2+][C@@H](C)c2nc(C3CC3)no2)cc1 ZINC001491547877 1301349406 /nfs/dbraw/zinc/34/94/06/1301349406.db2.gz JMOBVTDBSGLRRH-OLZOCXBDSA-N 1 2 338.411 2.397 10 30 EEEELO C=CCOCC[NH+]1CC(N(C)C(=O)c2ccccc2OC(C)C)C1 ZINC001277686543 1304185395 /nfs/dbraw/zinc/18/53/95/1304185395.db2.gz MHTHPSMTRWVTFU-UHFFFAOYSA-N 1 2 332.444 2.433 10 30 EEEELO C#CCN(C(=O)CO[C@@H](C)CC)C1CC[NH+](Cc2ncc(C)o2)CC1 ZINC001278144498 1306087462 /nfs/dbraw/zinc/08/74/62/1306087462.db2.gz NBJUIPRAFKJCME-HNNXBMFYSA-N 1 2 347.459 2.224 10 30 EEEELO C=CCOCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1coc(C2CC2)n1 ZINC001278302722 1309188690 /nfs/dbraw/zinc/18/86/90/1309188690.db2.gz CSJKREDQVADOIB-SJORKVTESA-N 1 2 345.443 2.320 10 30 EEEELO C=CCOCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1coc(C2CC2)n1 ZINC001278302722 1309188699 /nfs/dbraw/zinc/18/86/99/1309188699.db2.gz CSJKREDQVADOIB-SJORKVTESA-N 1 2 345.443 2.320 10 30 EEEELO COc1cc(C[N@@H+]2CC[C@](C)(NC(=O)C#CC(C)(C)C)C2)sn1 ZINC001278387611 1309976720 /nfs/dbraw/zinc/97/67/20/1309976720.db2.gz CIUWPJLXYYGLLF-KRWDZBQOSA-N 1 2 335.473 2.282 10 30 EEEELO COc1cc(C[N@H+]2CC[C@](C)(NC(=O)C#CC(C)(C)C)C2)sn1 ZINC001278387611 1309976723 /nfs/dbraw/zinc/97/67/23/1309976723.db2.gz CIUWPJLXYYGLLF-KRWDZBQOSA-N 1 2 335.473 2.282 10 30 EEEELO C#CCCCCC(=O)N[C@@]12CCC[C@H]1[N@H+](Cc1cn(CC)nn1)CC2 ZINC001278447828 1310302589 /nfs/dbraw/zinc/30/25/89/1310302589.db2.gz VRWLALPAKCLIEH-IEBWSBKVSA-N 1 2 343.475 2.105 10 30 EEEELO C#CCCCCC(=O)N[C@@]12CCC[C@H]1[N@@H+](Cc1cn(CC)nn1)CC2 ZINC001278447828 1310302598 /nfs/dbraw/zinc/30/25/98/1310302598.db2.gz VRWLALPAKCLIEH-IEBWSBKVSA-N 1 2 343.475 2.105 10 30 EEEELO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1C[C@@H](OC)CC[C@H]1C ZINC001122490508 1310309128 /nfs/dbraw/zinc/30/91/28/1310309128.db2.gz MCJRPVNSJLMROF-CABCVRRESA-N 1 2 344.463 2.182 10 30 EEEELO C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC[N@H+]3C)n2CC2CC2)C1 ZINC001123633163 1310649809 /nfs/dbraw/zinc/64/98/09/1310649809.db2.gz WWXAIXDZLZVIGU-CVEARBPZSA-N 1 2 331.464 2.236 10 30 EEEELO C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC[N@@H+]3C)n2CC2CC2)C1 ZINC001123633163 1310649820 /nfs/dbraw/zinc/64/98/20/1310649820.db2.gz WWXAIXDZLZVIGU-CVEARBPZSA-N 1 2 331.464 2.236 10 30 EEEELO N#Cc1cccc2[nH]cc(C(=O)N[C@@H]3CCN(c4cccc[nH+]4)C3)c21 ZINC001151245967 1316488001 /nfs/dbraw/zinc/48/80/01/1316488001.db2.gz RAGFFMSAXJRNSM-CQSZACIVSA-N 1 2 331.379 2.443 10 30 EEEELO O=C(N[C@H]1CC[C@H](C[NH2+]CC#Cc2ccccc2)C1)c1[nH]ncc1F ZINC001278595926 1317313581 /nfs/dbraw/zinc/31/35/81/1317313581.db2.gz YLDBDMADZKMHSR-HOTGVXAUSA-N 1 2 340.402 2.089 10 30 EEEELO C=CCCC(=O)N1C[C@H]([NH2+]Cc2nc([C@@H](C)OC)no2)C(C)(C)C1 ZINC001278630700 1317419407 /nfs/dbraw/zinc/41/94/07/1317419407.db2.gz MTBXKJNVSAGJIB-OLZOCXBDSA-N 1 2 336.436 2.070 10 30 EEEELO C=CC1CCN(C(=O)C[N@@H+]2CCc3cc(OC)c(OC)cc3C2)CC1 ZINC001293442366 1328716324 /nfs/dbraw/zinc/71/63/24/1328716324.db2.gz HJGCUEBEHDXJKB-UHFFFAOYSA-N 1 2 344.455 2.487 10 30 EEEELO C=CC1CCN(C(=O)C[N@H+]2CCc3cc(OC)c(OC)cc3C2)CC1 ZINC001293442366 1328716326 /nfs/dbraw/zinc/71/63/26/1328716326.db2.gz HJGCUEBEHDXJKB-UHFFFAOYSA-N 1 2 344.455 2.487 10 30 EEEELO 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2.065 10 30 EEEELO CC#CCCCC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2nc(CC(C)C)no2)C1 ZINC001281431532 1325085150 /nfs/dbraw/zinc/08/51/50/1325085150.db2.gz ZHXUDUHVJBKKPV-CVEARBPZSA-N 1 2 346.475 2.398 10 30 EEEELO C#CCCCCC(=O)N[C@H]1CC[N@@H+](Cc2cn(CC)nn2)CC1(C)C ZINC001281546259 1325252464 /nfs/dbraw/zinc/25/24/64/1325252464.db2.gz IIEUUKOOGQWACD-KRWDZBQOSA-N 1 2 345.491 2.208 10 30 EEEELO C#CCCCCC(=O)N[C@H]1CC[N@H+](Cc2cn(CC)nn2)CC1(C)C ZINC001281546259 1325252469 /nfs/dbraw/zinc/25/24/69/1325252469.db2.gz IIEUUKOOGQWACD-KRWDZBQOSA-N 1 2 345.491 2.208 10 30 EEEELO C#CC[NH+]1CC(N2CCN(C(=O)C[C@@H](C)CCC=C(C)C)CC2)C1 ZINC001281587989 1325327147 /nfs/dbraw/zinc/32/71/47/1325327147.db2.gz GGVKLBOMEIMNFE-SFHVURJKSA-N 1 2 331.504 2.221 10 30 EEEELO C=C(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001281764459 1325440884 /nfs/dbraw/zinc/44/08/84/1325440884.db2.gz DQMYZFGZZGSZME-SQWLQELKSA-N 1 2 346.475 2.154 10 30 EEEELO C=C(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001281764459 1325440906 /nfs/dbraw/zinc/44/09/06/1325440906.db2.gz DQMYZFGZZGSZME-SQWLQELKSA-N 1 2 346.475 2.154 10 30 EEEELO C=CCNC(=O)[C@H](C)[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)CCC ZINC001281768117 1325442975 /nfs/dbraw/zinc/44/29/75/1325442975.db2.gz HQSNMSFLNYOMDZ-YJBOKZPZSA-N 1 2 343.471 2.193 10 30 EEEELO C=CCNC(=O)[C@H](C)[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)CCC ZINC001281768117 1325442977 /nfs/dbraw/zinc/44/29/77/1325442977.db2.gz HQSNMSFLNYOMDZ-YJBOKZPZSA-N 1 2 343.471 2.193 10 30 EEEELO C=CC(C)(C)C(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)CCn1cc[nH+]c1 ZINC001282210667 1325652755 /nfs/dbraw/zinc/65/27/55/1325652755.db2.gz FZEGMCNJWHYLII-CVEARBPZSA-N 1 2 346.475 2.229 10 30 EEEELO C=CCCC(=O)N1CC(C)(C)CC[C@@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001282414007 1325714802 /nfs/dbraw/zinc/71/48/02/1325714802.db2.gz XESRROHGOMBVQO-OAHLLOKOSA-N 1 2 346.475 2.360 10 30 EEEELO C#CCC[NH+]1CC(CCO)(NC(=O)[C@H](C)c2cc3ccccc3o2)C1 ZINC001282539635 1325739247 /nfs/dbraw/zinc/73/92/47/1325739247.db2.gz NZYKZYSAIKVKBK-OAHLLOKOSA-N 1 2 340.423 2.113 10 30 EEEELO C=C(C)C[N@H+]1CCCCC[C@H]1CNC(=O)CS(=O)(=O)CCCC ZINC001282683676 1325764840 /nfs/dbraw/zinc/76/48/40/1325764840.db2.gz XWIOEDQTWMFSOV-INIZCTEOSA-N 1 2 344.521 2.138 10 30 EEEELO C=C(C)C[N@@H+]1CCCCC[C@H]1CNC(=O)CS(=O)(=O)CCCC ZINC001282683676 1325764842 /nfs/dbraw/zinc/76/48/42/1325764842.db2.gz XWIOEDQTWMFSOV-INIZCTEOSA-N 1 2 344.521 2.138 10 30 EEEELO C=C(C)C(C)(C)C(=O)N[C@@H](C)C1C[NH+](Cc2cc(=O)c(OC)co2)C1 ZINC001282732748 1325774150 /nfs/dbraw/zinc/77/41/50/1325774150.db2.gz ALAKIBYLHCSMNN-ZDUSSCGKSA-N 1 2 348.443 2.187 10 30 EEEELO C=CCCCC(=O)N[C@H](C)C1C[NH+](CC(=O)Nc2ccccc2)C1 ZINC001282735887 1325775390 /nfs/dbraw/zinc/77/53/90/1325775390.db2.gz VZJIYLQEOFADRG-OAHLLOKOSA-N 1 2 329.444 2.418 10 30 EEEELO C=CCNC(=O)C[NH+]1CC([C@@H](C)NC(=O)c2cccc(C(C)C)c2)C1 ZINC001282738839 1325776852 /nfs/dbraw/zinc/77/68/52/1325776852.db2.gz HETPBXSGEVTWSG-OAHLLOKOSA-N 1 2 343.471 2.162 10 30 EEEELO C#CCCCCC(=O)N[C@H]1C[N@@H+](Cc2snnc2C)CC1(C)C ZINC001282798400 1325789996 /nfs/dbraw/zinc/78/99/96/1325789996.db2.gz XVCXLJBBOWSKLP-HNNXBMFYSA-N 1 2 334.489 2.367 10 30 EEEELO C#CCCCCC(=O)N[C@H]1C[N@H+](Cc2snnc2C)CC1(C)C ZINC001282798400 1325789998 /nfs/dbraw/zinc/78/99/98/1325789998.db2.gz XVCXLJBBOWSKLP-HNNXBMFYSA-N 1 2 334.489 2.367 10 30 EEEELO C=C(C)C(C)(C)C(=O)N[C@H]1C[N@@H+](CC(=O)NCC(C)C)CC1(C)C ZINC001282825319 1325799249 /nfs/dbraw/zinc/79/92/49/1325799249.db2.gz ZDFMTPPVYATBEW-HNNXBMFYSA-N 1 2 337.508 2.188 10 30 EEEELO C=C(C)C(C)(C)C(=O)N[C@H]1C[N@H+](CC(=O)NCC(C)C)CC1(C)C ZINC001282825319 1325799251 /nfs/dbraw/zinc/79/92/51/1325799251.db2.gz ZDFMTPPVYATBEW-HNNXBMFYSA-N 1 2 337.508 2.188 10 30 EEEELO C#Cc1ccc(C(=O)N(C)C[C@H](C)[NH2+][C@H](C)c2nnc(C)o2)cc1 ZINC001283652166 1326183378 /nfs/dbraw/zinc/18/33/78/1326183378.db2.gz CQJXBDSDXHFCMY-QWHCGFSZSA-N 1 2 326.400 2.171 10 30 EEEELO 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C[C@@H](CC#N)C(=O)N1CCN(c2cc(C(F)(F)F)cc[nH+]2)CC1 ZINC000597522079 468585041 /nfs/dbraw/zinc/58/50/41/468585041.db2.gz HEKHWQPLOBUSNA-NSHDSACASA-N 1 2 326.322 2.299 10 30 EEEELO C[C@@H](CNC(=O)c1cc(F)c(C#N)c(F)c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000597826656 468683674 /nfs/dbraw/zinc/68/36/74/468683674.db2.gz QUDOXAGRYOSIFB-SDDRHHMPSA-N 1 2 337.370 2.064 10 30 EEEELO C[C@@H](CNC(=O)c1cc(F)c(C#N)c(F)c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000597826656 468683677 /nfs/dbraw/zinc/68/36/77/468683677.db2.gz QUDOXAGRYOSIFB-SDDRHHMPSA-N 1 2 337.370 2.064 10 30 EEEELO N#Cc1ccc(-c2nnc(C[N@@H+]3CCO[C@]4(CCSC4)C3)o2)cc1 ZINC000570838726 468701866 /nfs/dbraw/zinc/70/18/66/468701866.db2.gz GCVUMWYTWRKSEV-QGZVFWFLSA-N 1 2 342.424 2.316 10 30 EEEELO N#Cc1ccc(-c2nnc(C[N@H+]3CCO[C@]4(CCSC4)C3)o2)cc1 ZINC000570838726 468701872 /nfs/dbraw/zinc/70/18/72/468701872.db2.gz GCVUMWYTWRKSEV-QGZVFWFLSA-N 1 2 342.424 2.316 10 30 EEEELO CC(C)(C)C[N@H+](CCC#N)[C@@H]1CCN(CC(=O)OC(C)(C)C)C1=O ZINC000595329553 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EEEELO CCCCCCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccnc(C)n1 ZINC001272901242 1193597542 /nfs/dbraw/zinc/59/75/42/1193597542.db2.gz FWVDANJUIZQQTI-INIZCTEOSA-N 1 2 334.464 2.186 10 30 EEEELO CCCCCCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccnc(C)n1 ZINC001272901242 1193597544 /nfs/dbraw/zinc/59/75/44/1193597544.db2.gz FWVDANJUIZQQTI-INIZCTEOSA-N 1 2 334.464 2.186 10 30 EEEELO Cc1n[nH]c(C(=O)NC[C@H](C)[N@H+](C)Cc2cccc(C#N)c2)c1C ZINC001409513398 1189965792 /nfs/dbraw/zinc/96/57/92/1189965792.db2.gz JIRJBBDJWDRCTC-LBPRGKRZSA-N 1 2 325.416 2.149 10 30 EEEELO Cc1n[nH]c(C(=O)NC[C@H](C)[N@@H+](C)Cc2cccc(C#N)c2)c1C ZINC001409513398 1189965796 /nfs/dbraw/zinc/96/57/96/1189965796.db2.gz JIRJBBDJWDRCTC-LBPRGKRZSA-N 1 2 325.416 2.149 10 30 EEEELO C=CCC1(C(=O)NC[C@H](CO)[NH2+]Cc2nccs2)CCCCC1 ZINC001486062505 1193671617 /nfs/dbraw/zinc/67/16/17/1193671617.db2.gz INRNPBWVPDUCJJ-CQSZACIVSA-N 1 2 337.489 2.236 10 30 EEEELO CCc1nc(C[N@@H+]2CC[C@]3(NC(=O)[C@@H](C)C#N)CCC[C@H]23)cs1 ZINC001486136752 1193692015 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C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)CC1CC(F)(F)C1)O2 ZINC001484785201 1191520025 /nfs/dbraw/zinc/52/00/25/1191520025.db2.gz UBZAXUINWZVKII-CQSZACIVSA-N 1 2 328.403 2.348 10 30 EEEELO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)C/C=C/Cc1ccccc1)CO2 ZINC001484796511 1191529120 /nfs/dbraw/zinc/52/91/20/1191529120.db2.gz NBNVSJVIHSPGFF-UCFODXPJSA-N 1 2 338.451 2.158 10 30 EEEELO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)Cc1cnccc1C ZINC001484824899 1191543298 /nfs/dbraw/zinc/54/32/98/1191543298.db2.gz RSDNQBDZOMRECV-HXUWFJFHSA-N 1 2 333.435 2.109 10 30 EEEELO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)Cc1cnccc1C ZINC001484824899 1191543299 /nfs/dbraw/zinc/54/32/99/1191543299.db2.gz RSDNQBDZOMRECV-HXUWFJFHSA-N 1 2 333.435 2.109 10 30 EEEELO COc1nscc1C[N@@H+]1CC[C@H](NC(=O)C#CC2CC2)C(C)(C)C1 ZINC001484934148 1191578592 /nfs/dbraw/zinc/57/85/92/1191578592.db2.gz FVXXQGLZLRDFPP-HNNXBMFYSA-N 1 2 347.484 2.282 10 30 EEEELO COc1nscc1C[N@H+]1CC[C@H](NC(=O)C#CC2CC2)C(C)(C)C1 ZINC001484934148 1191578593 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EEEELO N#C[C@@]1(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CCCOC1 ZINC000864912744 1197996010 /nfs/dbraw/zinc/99/60/10/1197996010.db2.gz NBHDWXKSCFQOGT-SFHVURJKSA-N 1 2 328.416 2.008 10 30 EEEELO C=C(Cl)C[C@H]([NH3+])c1nc(Cc2cccc(S(C)(=O)=O)c2)no1 ZINC000872183861 1198078760 /nfs/dbraw/zinc/07/87/60/1198078760.db2.gz NWZOGQZUMWOOEI-LBPRGKRZSA-N 1 2 341.820 2.206 10 30 EEEELO C#CCCCC(=O)N[C@@H]1CCC[N@@H+]([C@@H](C)c2nnc(CC)[nH]2)CC1 ZINC001273412226 1198668506 /nfs/dbraw/zinc/66/85/06/1198668506.db2.gz ZAOLPHLUXGEUGL-LSDHHAIUSA-N 1 2 331.464 2.202 10 30 EEEELO C#CCCCC(=O)N[C@@H]1CCC[N@H+]([C@@H](C)c2nnc(CC)[nH]2)CC1 ZINC001273412226 1198668510 /nfs/dbraw/zinc/66/85/10/1198668510.db2.gz ZAOLPHLUXGEUGL-LSDHHAIUSA-N 1 2 331.464 2.202 10 30 EEEELO C[C@@H](C#N)C(=O)N[C@H](C[NH2+]Cc1noc(C(C)(C)C)n1)C(C)(C)C ZINC001411213258 1198922659 /nfs/dbraw/zinc/92/26/59/1198922659.db2.gz UYBNBSYQHHANMQ-NWDGAFQWSA-N 1 2 335.452 2.147 10 30 EEEELO C#CCC1(O)CC[NH+](CC(=O)Nc2cc(Cl)ccc2OC)CC1 ZINC000880479582 1201498136 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10 30 EEEELO CNC(=O)N[C@H]1CC[N@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000331132995 465947020 /nfs/dbraw/zinc/94/70/20/465947020.db2.gz BRZDGQNPWOHHCT-LBPRGKRZSA-N 1 2 337.221 2.028 10 30 EEEELO CNC(=O)N[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000331132995 465947027 /nfs/dbraw/zinc/94/70/27/465947027.db2.gz BRZDGQNPWOHHCT-LBPRGKRZSA-N 1 2 337.221 2.028 10 30 EEEELO COc1cc(C(C)=O)ccc1OC[C@@H](O)C[N@H+](C[C@H](C)C#N)C1CC1 ZINC000338345499 466045798 /nfs/dbraw/zinc/04/57/98/466045798.db2.gz DEFHTRKFYYGBST-DYVFJYSZSA-N 1 2 346.427 2.262 10 30 EEEELO COc1cc(C(C)=O)ccc1OC[C@@H](O)C[N@@H+](C[C@H](C)C#N)C1CC1 ZINC000338345499 466045807 /nfs/dbraw/zinc/04/58/07/466045807.db2.gz DEFHTRKFYYGBST-DYVFJYSZSA-N 1 2 346.427 2.262 10 30 EEEELO Cc1c[nH]nc1C[NH+]1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 ZINC000597203695 468479687 /nfs/dbraw/zinc/47/96/87/468479687.db2.gz VXGBZPBIIGOMSF-UHFFFAOYSA-N 1 2 347.426 2.302 10 30 EEEELO CCCc1[nH+]c2ccccc2n1CCC(=O)N1CCO[C@@H](C#N)C1 ZINC000354497291 466609571 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N#Cc1sccc1S(=O)(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000593530572 469018437 /nfs/dbraw/zinc/01/84/37/469018437.db2.gz ZQHDAKWSYXPKJT-UHFFFAOYSA-N 1 2 348.453 2.093 10 30 EEEELO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCc2c(cccc2C(N)=O)C1 ZINC000595903385 469074295 /nfs/dbraw/zinc/07/42/95/469074295.db2.gz QAQARTYRWDVCMM-ZDUSSCGKSA-N 1 2 348.406 2.042 10 30 EEEELO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCc2c(cccc2C(N)=O)C1 ZINC000595903385 469074297 /nfs/dbraw/zinc/07/42/97/469074297.db2.gz QAQARTYRWDVCMM-ZDUSSCGKSA-N 1 2 348.406 2.042 10 30 EEEELO Cc1cc(C)c(NC(=O)C(=O)N2Cc3cccc(C#N)c3C2)c(C)[nH+]1 ZINC000593721230 469108390 /nfs/dbraw/zinc/10/83/90/469108390.db2.gz KYTOWKMDGHYYAK-UHFFFAOYSA-N 1 2 334.379 2.359 10 30 EEEELO N#Cc1ccc(N2CCC[C@H]([N@H+]3CCO[C@@H](C(F)F)CC3)C2=O)cc1 ZINC000601971691 469119586 /nfs/dbraw/zinc/11/95/86/469119586.db2.gz DUXLUXMQHDKFKZ-JKSUJKDBSA-N 1 2 349.381 2.410 10 30 EEEELO N#Cc1ccc(N2CCC[C@H]([N@@H+]3CCO[C@@H](C(F)F)CC3)C2=O)cc1 ZINC000601971691 469119589 /nfs/dbraw/zinc/11/95/89/469119589.db2.gz DUXLUXMQHDKFKZ-JKSUJKDBSA-N 1 2 349.381 2.410 10 30 EEEELO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccn(-c2cccc(Cl)c2)n1 ZINC000565052122 469266742 /nfs/dbraw/zinc/26/67/42/469266742.db2.gz VGYAJNMLLHJGOA-MRXNPFEDSA-N 1 2 331.807 2.099 10 30 EEEELO C[C@@H](CC#N)C(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000596663063 469327020 /nfs/dbraw/zinc/32/70/20/469327020.db2.gz XTROARHIAUZOOO-AWEZNQCLSA-N 1 2 335.835 2.413 10 30 EEEELO C[C@H](C#N)CSc1ccccc1NC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000599737635 469354053 /nfs/dbraw/zinc/35/40/53/469354053.db2.gz NYWBUUSTEMWJHI-KGLIPLIRSA-N 1 2 348.472 2.390 10 30 EEEELO C[C@H](C#N)CSc1ccccc1NC(=O)NC[C@H]1COCC[N@H+]1C ZINC000599737635 469354057 /nfs/dbraw/zinc/35/40/57/469354057.db2.gz NYWBUUSTEMWJHI-KGLIPLIRSA-N 1 2 348.472 2.390 10 30 EEEELO Cn1cc[nH+]c1[C@H](NC(=O)NCC1(C#N)CCCCC1)C(C)(C)CO ZINC000596859854 469385780 /nfs/dbraw/zinc/38/57/80/469385780.db2.gz RDCGSMBFTRNMNF-AWEZNQCLSA-N 1 2 347.463 2.253 10 30 EEEELO CC[NH+](CC)Cc1nc(C2(NC(=O)[C@@H](C)CC#N)CCCC2)no1 ZINC000596921286 469408102 /nfs/dbraw/zinc/40/81/02/469408102.db2.gz GWQODOYGOCMJFI-ZDUSSCGKSA-N 1 2 333.436 2.347 10 30 EEEELO C=CC[C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000617039199 469581243 /nfs/dbraw/zinc/58/12/43/469581243.db2.gz DRKYHKOPBUUBJE-QZTJIDSGSA-N 1 2 342.487 2.455 10 30 EEEELO CC[C@@H](C)NC(=O)C[NH+]1CCN([C@H](C#N)c2ccc(Cl)cc2)CC1 ZINC000619784667 469681918 /nfs/dbraw/zinc/68/19/18/469681918.db2.gz JKSRFOOWOYHSBC-RHSMWYFYSA-N 1 2 348.878 2.437 10 30 EEEELO CC#CCCCC(=O)NC[C@@H]1CN(C)CC[N@@H+]1Cc1ccccc1 ZINC000620726583 469902361 /nfs/dbraw/zinc/90/23/61/469902361.db2.gz MLZNUXITGJTMOY-LJQANCHMSA-N 1 2 327.472 2.112 10 30 EEEELO CC#CCCCC(=O)NC[C@@H]1CN(C)CC[N@H+]1Cc1ccccc1 ZINC000620726583 469902368 /nfs/dbraw/zinc/90/23/68/469902368.db2.gz MLZNUXITGJTMOY-LJQANCHMSA-N 1 2 327.472 2.112 10 30 EEEELO CC(=O)NC(C)(C)C(N)=[NH+]OCc1c(F)cccc1Br ZINC000092895008 526689541 /nfs/dbraw/zinc/68/95/41/526689541.db2.gz 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/nfs/dbraw/zinc/65/77/22/267657722.db2.gz UDBBJSUYKMYAHM-UHFFFAOYSA-N 1 2 349.434 2.454 10 30 EEEELO COc1ccc(F)c(C[NH+]2CCN(c3cnccc3C#N)CC2)c1 ZINC000560532587 318800860 /nfs/dbraw/zinc/80/08/60/318800860.db2.gz BVEUEOLGTIOYFG-UHFFFAOYSA-N 1 2 326.375 2.423 10 30 EEEELO COC(=O)c1cccc(C[N@@H+]2C[C@]3(CCOC3)OC(C)(C)C2)c1C#N ZINC000574558039 320036303 /nfs/dbraw/zinc/03/63/03/320036303.db2.gz IARIMYCNPXLOJT-IBGZPJMESA-N 1 2 344.411 2.115 10 30 EEEELO COC(=O)c1cccc(C[N@H+]2C[C@]3(CCOC3)OC(C)(C)C2)c1C#N ZINC000574558039 320036306 /nfs/dbraw/zinc/03/63/06/320036306.db2.gz IARIMYCNPXLOJT-IBGZPJMESA-N 1 2 344.411 2.115 10 30 EEEELO O=C(NCC#Cc1ccccc1)NCc1[nH+]ccn1CC(F)(F)F ZINC000341215407 465061686 /nfs/dbraw/zinc/06/16/86/465061686.db2.gz SADBZPGHMABIAZ-UHFFFAOYSA-N 1 2 336.317 2.296 10 30 EEEELO O=C(Cn1ccccc1=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000328628225 465078774 /nfs/dbraw/zinc/07/87/74/465078774.db2.gz GZWUFEBXPKFBFD-KBPBESRZSA-N 1 2 349.431 2.479 10 30 EEEELO O=C(Cn1ccccc1=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000328628225 465078778 /nfs/dbraw/zinc/07/87/78/465078778.db2.gz GZWUFEBXPKFBFD-KBPBESRZSA-N 1 2 349.431 2.479 10 30 EEEELO C[C@H](C(=O)Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1)n1cnc(C#N)n1 ZINC000336943917 465114350 /nfs/dbraw/zinc/11/43/50/465114350.db2.gz KFAPDKCVXSIAST-SNVBAGLBSA-N 1 2 335.371 2.493 10 30 EEEELO C=C(C)C[C@H](C)C(=O)NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000341485489 465193134 /nfs/dbraw/zinc/19/31/34/465193134.db2.gz TWFAKZLTHVYYMK-KRWDZBQOSA-N 1 2 349.519 2.429 10 30 EEEELO CC(C)(CNc1cccc(Cl)c1C#N)[NH+]1CCS(=O)CC1 ZINC000297280789 465251620 /nfs/dbraw/zinc/25/16/20/465251620.db2.gz XITLGILBGROYNO-UHFFFAOYSA-N 1 2 325.865 2.466 10 30 EEEELO COC(=O)COc1ccc(C[N@H+](C[C@@H](C)C#N)C2CC2)cc1[N+](=O)[O-] ZINC000355735416 465269223 /nfs/dbraw/zinc/26/92/23/465269223.db2.gz OLUSJLRKLIMKOP-LBPRGKRZSA-N 1 2 347.371 2.271 10 30 EEEELO COC(=O)COc1ccc(C[N@@H+](C[C@@H](C)C#N)C2CC2)cc1[N+](=O)[O-] ZINC000355735416 465269226 /nfs/dbraw/zinc/26/92/26/465269226.db2.gz OLUSJLRKLIMKOP-LBPRGKRZSA-N 1 2 347.371 2.271 10 30 EEEELO C=CCC(CC=C)C(=O)N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC000133803668 462972369 /nfs/dbraw/zinc/97/23/69/462972369.db2.gz GXGZDRBMFUXACI-UHFFFAOYSA-N 1 2 330.476 2.450 10 30 EEEELO Cc1cc(C#N)ccc1C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000122193739 463245641 /nfs/dbraw/zinc/24/56/41/463245641.db2.gz NJWCFMAEDRCMBZ-QGZVFWFLSA-N 1 2 327.428 2.194 10 30 EEEELO C[C@H](Oc1ccccc1C#N)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000042143239 463546288 /nfs/dbraw/zinc/54/62/88/463546288.db2.gz UJIGVYULZCEFPB-HNNXBMFYSA-N 1 2 336.395 2.069 10 30 EEEELO N#Cc1ccccc1C[NH2+][C@H](C(=O)N1CCOCC1)c1ccccc1 ZINC000058218756 463555908 /nfs/dbraw/zinc/55/59/08/463555908.db2.gz LIUCDKUZBDOFIR-IBGZPJMESA-N 1 2 335.407 2.248 10 30 EEEELO CC(=O)N(Cc1ncc(C)o1)[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC000084259211 463589314 /nfs/dbraw/zinc/58/93/14/463589314.db2.gz JJEJFQHXRAKOEO-SFHVURJKSA-N 1 2 338.411 2.478 10 30 EEEELO CC(=O)N(Cc1ncc(C)o1)[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC000084259211 463589316 /nfs/dbraw/zinc/58/93/16/463589316.db2.gz JJEJFQHXRAKOEO-SFHVURJKSA-N 1 2 338.411 2.478 10 30 EEEELO C=C(C)C[C@@H](C)C(=O)NCc1ccc[nH+]c1N1CCC(C(N)=O)CC1 ZINC000185475251 463829326 /nfs/dbraw/zinc/82/93/26/463829326.db2.gz FSDVQGGOHLZRIM-CQSZACIVSA-N 1 2 344.459 2.002 10 30 EEEELO CC1(C)C[N@H+](CCNC(=O)c2ccc(C3(C#N)CC3)cc2)CCO1 ZINC000180215364 464266466 /nfs/dbraw/zinc/26/64/66/464266466.db2.gz YFTIBKMDXWKHNC-UHFFFAOYSA-N 1 2 327.428 2.082 10 30 EEEELO CC1(C)C[N@@H+](CCNC(=O)c2ccc(C3(C#N)CC3)cc2)CCO1 ZINC000180215364 464266469 /nfs/dbraw/zinc/26/64/69/464266469.db2.gz YFTIBKMDXWKHNC-UHFFFAOYSA-N 1 2 327.428 2.082 10 30 EEEELO C=CCNC(=O)CN1CC[NH+](Cc2cccc(SCC)c2)CC1 ZINC000352000877 465466486 /nfs/dbraw/zinc/46/64/86/465466486.db2.gz BBDYJQFXGWQQRI-UHFFFAOYSA-N 1 2 333.501 2.218 10 30 EEEELO C=CCNC(=O)C[NH+]1CCN(Cc2cccc(SCC)c2)CC1 ZINC000352000877 465466491 /nfs/dbraw/zinc/46/64/91/465466491.db2.gz BBDYJQFXGWQQRI-UHFFFAOYSA-N 1 2 333.501 2.218 10 30 EEEELO CO[C@H]1C[C@H](c2nc(C)no2)[N@H+](CCCOc2cccc(C#N)c2)C1 ZINC000189348233 464482869 /nfs/dbraw/zinc/48/28/69/464482869.db2.gz QIFBWKWPBXXLSI-DLBZAZTESA-N 1 2 342.399 2.481 10 30 EEEELO CO[C@H]1C[C@H](c2nc(C)no2)[N@@H+](CCCOc2cccc(C#N)c2)C1 ZINC000189348233 464482873 /nfs/dbraw/zinc/48/28/73/464482873.db2.gz QIFBWKWPBXXLSI-DLBZAZTESA-N 1 2 342.399 2.481 10 30 EEEELO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC=C(c2ccnn2C)CC1 ZINC000285793212 464697653 /nfs/dbraw/zinc/69/76/53/464697653.db2.gz ZNMOYWODUXDHIZ-AWEZNQCLSA-N 1 2 335.411 2.408 10 30 EEEELO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC=C(c2ccnn2C)CC1 ZINC000285793212 464697656 /nfs/dbraw/zinc/69/76/56/464697656.db2.gz ZNMOYWODUXDHIZ-AWEZNQCLSA-N 1 2 335.411 2.408 10 30 EEEELO COc1cc(N2CC[NH+](CC#Cc3cccc(Cl)c3)CC2)ncn1 ZINC000184084709 464945368 /nfs/dbraw/zinc/94/53/68/464945368.db2.gz JNLAWBCGIHHSTN-UHFFFAOYSA-N 1 2 342.830 2.312 10 30 EEEELO C=CCCc1ccccc1NC(=O)C(=O)NCCNc1cccc[nH+]1 ZINC000337574226 465444025 /nfs/dbraw/zinc/44/40/25/465444025.db2.gz GNHYBCJCSKKRIV-UHFFFAOYSA-N 1 2 338.411 2.367 10 30 EEEELO Cn1ncc(C2CCC2)c1C[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000597129479 468453233 /nfs/dbraw/zinc/45/32/33/468453233.db2.gz KJOYWSWSUOVBSL-UHFFFAOYSA-N 1 2 336.443 2.276 10 30 EEEELO Cc1ccn2cc(CNS(=O)(=O)CC3(C#N)CCCC3)[nH+]c2c1 ZINC000353423389 465872053 /nfs/dbraw/zinc/87/20/53/465872053.db2.gz DMLXWUMJVKYMLT-UHFFFAOYSA-N 1 2 332.429 2.146 10 30 EEEELO C=CCOc1ccccc1C[N@H+]1CCc2c(nnn2CCOC)C1 ZINC000354058014 466335750 /nfs/dbraw/zinc/33/57/50/466335750.db2.gz CFGUBWHFEUCNFX-UHFFFAOYSA-N 1 2 328.416 2.048 10 30 EEEELO C=CCOc1ccccc1C[N@@H+]1CCc2c(nnn2CCOC)C1 ZINC000354058014 466335755 /nfs/dbraw/zinc/33/57/55/466335755.db2.gz CFGUBWHFEUCNFX-UHFFFAOYSA-N 1 2 328.416 2.048 10 30 EEEELO Cc1ccc(C[S@](=O)CC(=O)NCc2ccc(C#N)cc2)c(C)[nH+]1 ZINC000358141797 466490191 /nfs/dbraw/zinc/49/01/91/466490191.db2.gz XSCIZSHPRJZHPQ-DEOSSOPVSA-N 1 2 341.436 2.135 10 30 EEEELO COC(=O)c1conc1C(C)(C)[NH2+]CCOc1cccc(C#N)c1 ZINC000425559360 467111332 /nfs/dbraw/zinc/11/13/32/467111332.db2.gz GVXFJDLXGYGRGU-UHFFFAOYSA-N 1 2 329.356 2.237 10 30 EEEELO C=C(C)CS(=O)(=O)N1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC000435446738 467470395 /nfs/dbraw/zinc/47/03/95/467470395.db2.gz LWPUMCZGDNMOPR-AWEZNQCLSA-N 1 2 326.437 2.410 10 30 EEEELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)Nc3ccc(C(C)(C)C#N)cc3)C[C@@H]21 ZINC000408034785 467498041 /nfs/dbraw/zinc/49/80/41/467498041.db2.gz VLTFWYLXAWRGGE-DLBZAZTESA-N 1 2 342.443 2.425 10 30 EEEELO C[N@H+]1CCO[C@@H]2CCN(C(=O)Nc3ccc(C(C)(C)C#N)cc3)C[C@@H]21 ZINC000408034785 467498046 /nfs/dbraw/zinc/49/80/46/467498046.db2.gz VLTFWYLXAWRGGE-DLBZAZTESA-N 1 2 342.443 2.425 10 30 EEEELO C[N@@H+]1CCO[C@H]2CCN(C(=O)Nc3ccc(C(C)(C)C#N)cc3)C[C@H]21 ZINC000408034792 467498244 /nfs/dbraw/zinc/49/82/44/467498244.db2.gz VLTFWYLXAWRGGE-SJORKVTESA-N 1 2 342.443 2.425 10 30 EEEELO C[N@H+]1CCO[C@H]2CCN(C(=O)Nc3ccc(C(C)(C)C#N)cc3)C[C@H]21 ZINC000408034792 467498249 /nfs/dbraw/zinc/49/82/49/467498249.db2.gz VLTFWYLXAWRGGE-SJORKVTESA-N 1 2 342.443 2.425 10 30 EEEELO C=CCNC(=O)C[NH+]1CCN(c2ccc3c(Cl)cccc3n2)CC1 ZINC000443437744 467579767 /nfs/dbraw/zinc/57/97/67/467579767.db2.gz DANRAEGAUNPRBH-UHFFFAOYSA-N 1 2 344.846 2.312 10 30 EEEELO CC#CCN(C)C(=O)N[C@H](c1[nH+]ccn1C)c1ccc(OC)cc1 ZINC000457566604 467652701 /nfs/dbraw/zinc/65/27/01/467652701.db2.gz OOUTYUPVUBWWPT-INIZCTEOSA-N 1 2 326.400 2.183 10 30 EEEELO C=CCN(Cc1c[nH+]cn1Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000527326109 467658741 /nfs/dbraw/zinc/65/87/41/467658741.db2.gz ZURFCXIOUFIGEB-KRWDZBQOSA-N 1 2 345.468 2.107 10 30 EEEELO CN(C(=O)C[N@@H+]1CCC[C@@H]1c1ccc(=O)[nH]n1)C1(C#N)CCCCC1 ZINC000528789291 467756470 /nfs/dbraw/zinc/75/64/70/467756470.db2.gz HVCUQTLRINHHRX-OAHLLOKOSA-N 1 2 343.431 2.004 10 30 EEEELO CN(C(=O)C[N@H+]1CCC[C@@H]1c1ccc(=O)[nH]n1)C1(C#N)CCCCC1 ZINC000528789291 467756475 /nfs/dbraw/zinc/75/64/75/467756475.db2.gz HVCUQTLRINHHRX-OAHLLOKOSA-N 1 2 343.431 2.004 10 30 EEEELO C[C@@](C#N)(NC(=O)CN1CCC[C@H]1c1[nH]c2c([nH+]1)CCCC2)C1CC1 ZINC000514660771 467946344 /nfs/dbraw/zinc/94/63/44/467946344.db2.gz YHUNLZATLMUQBA-LPHOPBHVSA-N 1 2 341.459 2.234 10 30 EEEELO N#CC1(CNC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)CC1 ZINC000548905318 468156348 /nfs/dbraw/zinc/15/63/48/468156348.db2.gz RKYFCKSBVWXPOU-AWEZNQCLSA-N 1 2 327.432 2.412 10 30 EEEELO Cn1c[nH+]c(CN2CCN(c3c(C#N)cnc4ccccc43)CC2)c1 ZINC000595297968 468803652 /nfs/dbraw/zinc/80/36/52/468803652.db2.gz LTPIMGSGAZRNAQ-UHFFFAOYSA-N 1 2 332.411 2.162 10 30 EEEELO Cn1cnc(C[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)c1 ZINC000595297968 468803658 /nfs/dbraw/zinc/80/36/58/468803658.db2.gz LTPIMGSGAZRNAQ-UHFFFAOYSA-N 1 2 332.411 2.162 10 30 EEEELO C=C(C)C[C@@H](NC(=O)Cc1ccc(-n2cc[nH+]c2)cc1)C(=O)OC ZINC000601786056 469024148 /nfs/dbraw/zinc/02/41/48/469024148.db2.gz WJNQQGMCCNMLQG-MRXNPFEDSA-N 1 2 327.384 2.039 10 30 EEEELO CC(C)CO[C@@H](C)c1noc(C[N@H+](C)C[C@@H](O)CC2(C#N)CC2)n1 ZINC000599303348 469200154 /nfs/dbraw/zinc/20/01/54/469200154.db2.gz BJVKSYOSZWSVIR-KBPBESRZSA-N 1 2 336.436 2.290 10 30 EEEELO CC(C)CO[C@@H](C)c1noc(C[N@@H+](C)C[C@@H](O)CC2(C#N)CC2)n1 ZINC000599303348 469200158 /nfs/dbraw/zinc/20/01/58/469200158.db2.gz BJVKSYOSZWSVIR-KBPBESRZSA-N 1 2 336.436 2.290 10 30 EEEELO Cc1ccc(C[N@H+](C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)cc1C#N ZINC000599337392 469216981 /nfs/dbraw/zinc/21/69/81/469216981.db2.gz VECJWJQSHYSWIY-ROUUACIJSA-N 1 2 348.468 2.035 10 30 EEEELO Cc1ccc(C[N@@H+](C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)cc1C#N ZINC000599337392 469216987 /nfs/dbraw/zinc/21/69/87/469216987.db2.gz VECJWJQSHYSWIY-ROUUACIJSA-N 1 2 348.468 2.035 10 30 EEEELO C=CCOCCCNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000596474162 469278410 /nfs/dbraw/zinc/27/84/10/469278410.db2.gz ZPZDPNFZMZLJRG-UHFFFAOYSA-N 1 2 335.404 2.432 10 30 EEEELO N#CC1(CC(=O)NCc2cc[nH+]c(N3CCCC3)c2)CCOCC1 ZINC000596700863 469337887 /nfs/dbraw/zinc/33/78/87/469337887.db2.gz AVBUYNMMBOFSRA-UHFFFAOYSA-N 1 2 328.416 2.008 10 30 EEEELO C=C(C)C[C@H](NC(C)=O)C(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000613544965 469733354 /nfs/dbraw/zinc/73/33/54/469733354.db2.gz KJYLADRFDCRHKO-YOEHRIQHSA-N 1 2 349.500 2.424 10 30 EEEELO C=CC[C@H]1CCCN(C(=O)C2CC[NH+](Cc3nccn3C)CC2)C1 ZINC000617782643 469801487 /nfs/dbraw/zinc/80/14/87/469801487.db2.gz JPRVTSJJCBMFKK-INIZCTEOSA-N 1 2 330.476 2.447 10 30 EEEELO C=CCCC(C)(C)CNC(=O)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000636468363 470342461 /nfs/dbraw/zinc/34/24/61/470342461.db2.gz ICZNEZPYMPLUJS-UHFFFAOYSA-N 1 2 328.416 2.059 10 30 EEEELO C=C(C)[C@H](CO)[NH+]1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000649229423 470506111 /nfs/dbraw/zinc/50/61/11/470506111.db2.gz DGTAOFUHAJDDCC-HNNXBMFYSA-N 1 2 342.361 2.400 10 30 EEEELO C=C[C@@H]1CCCCN1C(=O)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000637527896 470758975 /nfs/dbraw/zinc/75/89/75/470758975.db2.gz KDBTXUAJCDWOBF-MSOLQXFVSA-N 1 2 344.459 2.033 10 30 EEEELO C=C[C@@H]1CCCCN1C(=O)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000637527896 470758979 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C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1C[C@@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000451259022 243052258 /nfs/dbraw/zinc/05/22/58/243052258.db2.gz HJINZYDQGUIRRP-QRFRQXIXSA-N 1 2 346.446 2.376 10 30 EEEELO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1C[C@@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000451259022 243052263 /nfs/dbraw/zinc/05/22/63/243052263.db2.gz HJINZYDQGUIRRP-QRFRQXIXSA-N 1 2 346.446 2.376 10 30 EEEELO Cc1noc([C@H](C)N2CC[NH+](CCOc3cccc(C#N)c3)CC2)n1 ZINC000069652473 203032005 /nfs/dbraw/zinc/03/20/05/203032005.db2.gz ZQYKJGLWVCHDEG-AWEZNQCLSA-N 1 2 341.415 2.007 10 30 EEEELO N#CCc1cccc(NC(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)c1 ZINC000455911534 244107629 /nfs/dbraw/zinc/10/76/29/244107629.db2.gz FHKVJVYUTISPKN-GOSISDBHSA-N 1 2 342.443 2.471 10 30 EEEELO N#Cc1cccc([N+](=O)[O-])c1CN1CC[NH+](Cc2ccncc2)CC1 ZINC000459385459 245101113 /nfs/dbraw/zinc/10/11/13/245101113.db2.gz HSXZNWKMAUJVRH-UHFFFAOYSA-N 1 2 337.383 2.179 10 30 EEEELO CCOC(=O)C[C@H]1C[C@H](OC)C[N@@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459406658 245109863 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330.338 2.340 10 30 EEEELO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](c3cnn(C)c3)C2)c(C#N)c1C ZINC000247010385 160305421 /nfs/dbraw/zinc/30/54/21/160305421.db2.gz MIPVNATWNUGHEN-GXTWGEPZSA-N 1 2 341.415 2.318 10 30 EEEELO Cc1oc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](c3cnn(C)c3)C2)c(C#N)c1C ZINC000247010385 160305423 /nfs/dbraw/zinc/30/54/23/160305423.db2.gz MIPVNATWNUGHEN-GXTWGEPZSA-N 1 2 341.415 2.318 10 30 EEEELO Cc1cccc(NC(=O)C[NH+]2CCN(c3cccc(C#N)n3)CC2)c1 ZINC000355121679 163087427 /nfs/dbraw/zinc/08/74/27/163087427.db2.gz GRJQHXPHNIRBQF-UHFFFAOYSA-N 1 2 335.411 2.022 10 30 EEEELO COc1ccc(C[NH+]2CCN(Cc3nc(C#N)cs3)CC2)cc1F ZINC000356106214 163336314 /nfs/dbraw/zinc/33/63/14/163336314.db2.gz YDZMUUJCNWTUBG-UHFFFAOYSA-N 1 2 346.431 2.480 10 30 EEEELO C[C@@H]1C[N@H+](CC(=O)Nc2ccc(C#N)cc2)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000374015046 167004081 /nfs/dbraw/zinc/00/40/81/167004081.db2.gz SAWFIUVEJHXNMM-CLCXKQKWSA-N 1 2 343.427 2.155 10 30 EEEELO C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000374015046 167004083 /nfs/dbraw/zinc/00/40/83/167004083.db2.gz SAWFIUVEJHXNMM-CLCXKQKWSA-N 1 2 343.427 2.155 10 30 EEEELO N#Cc1ccc([C@@H]([NH2+]C[C@@H]2CCN2C2CCCCC2)C(N)=O)cc1 ZINC000530128892 268262776 /nfs/dbraw/zinc/26/27/76/268262776.db2.gz CXRXWYVJZRSPTL-ZWKOTPCHSA-N 1 2 326.444 2.081 10 30 EEEELO N#Cc1cccc(CC(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)c1 ZINC000530671597 268275791 /nfs/dbraw/zinc/27/57/91/268275791.db2.gz KDXRVIPKFSRUKR-FQEVSTJZSA-N 1 2 349.434 2.290 10 30 EEEELO Cn1c[nH+]cc1[C@H](O)C(=O)NCC(=O)Nc1cccc2cccnc21 ZINC000328592147 465063999 /nfs/dbraw/zinc/06/39/99/465063999.db2.gz AWGHKGKDJBDPRG-INIZCTEOSA-N 1 2 339.355 2.246 10 30 EEEELO C[NH+](C)[C@H](CNC(=O)c1cc(C#N)ccn1)c1c(F)cccc1F ZINC000339286054 465189178 /nfs/dbraw/zinc/18/91/78/465189178.db2.gz JOCVKDJYMJSAAE-OAHLLOKOSA-N 1 2 330.338 2.264 10 30 EEEELO C=CCN1CC[C@@H]([NH2+][C@@H](C)c2nc(C)c(C(=O)OCC)s2)C1=O ZINC000337186201 465232888 /nfs/dbraw/zinc/23/28/88/465232888.db2.gz DBOFUJHCXYIAJB-NWDGAFQWSA-N 1 2 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Cc1cnc(C[N@@H+]2CC[C@]3(NC(=O)C#CC(C)C)CCC[C@@H]23)nc1 ZINC001676803929 1357207171 /nfs/dbraw/zinc/20/71/71/1357207171.db2.gz XMGKEVKFNAYVIA-VQIMIIECSA-N 1 2 326.444 2.058 10 30 EEEELO Cc1cnc(C[N@H+]2CC[C@]3(NC(=O)C#CC(C)C)CCC[C@@H]23)nc1 ZINC001676803929 1357207174 /nfs/dbraw/zinc/20/71/74/1357207174.db2.gz XMGKEVKFNAYVIA-VQIMIIECSA-N 1 2 326.444 2.058 10 30 EEEELO C=CCOCC[NH+]1CCC([C@@H](C)NC(=O)C(F)C(F)(F)F)CC1 ZINC001677332999 1357315392 /nfs/dbraw/zinc/31/53/92/1357315392.db2.gz TWAHFZFDIZMGLJ-DGCLKSJQSA-N 1 2 340.361 2.306 10 30 EEEELO C=CCOCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H](F)C(F)(F)F)CC1 ZINC001677332999 1357315397 /nfs/dbraw/zinc/31/53/97/1357315397.db2.gz TWAHFZFDIZMGLJ-DGCLKSJQSA-N 1 2 340.361 2.306 10 30 EEEELO C=CCC(C)(C)C(=O)N[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1CC ZINC001584549154 1348744800 /nfs/dbraw/zinc/74/48/00/1348744800.db2.gz TZSLTMMYOLAQSI-ZBFHGGJFSA-N 1 2 346.475 2.298 10 30 EEEELO C=C(C)C[C@@H](C)C(=O)NC1(CNC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001584968858 1348773344 /nfs/dbraw/zinc/77/33/44/1348773344.db2.gz WNYXQOOSLAKMGX-HUUCEWRRSA-N 1 2 332.448 2.202 10 30 EEEELO C=CCCC(=O)N1CCCCC[C@@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001678587190 1357533976 /nfs/dbraw/zinc/53/39/76/1357533976.db2.gz ZOIPNOTUNPGCRP-QGZVFWFLSA-N 1 2 346.475 2.206 10 30 EEEELO C=C(C)CCC(=O)NC[C@@H]1[C@H]2CN(C(=O)C[C@@H](C)n3cc[nH+]c3)C[C@H]21 ZINC001678880012 1357580994 /nfs/dbraw/zinc/58/09/94/1357580994.db2.gz TUXIQPGAIGXTEY-VQHPVUNQSA-N 1 2 344.459 2.011 10 30 EEEELO C#CCOc1ccccc1NC(=O)NCc1coc(C[NH+](C)C)n1 ZINC001623835048 1352406787 /nfs/dbraw/zinc/40/67/87/1352406787.db2.gz LSKJRFWPGIPLOL-UHFFFAOYSA-N 1 2 328.372 2.070 10 30 EEEELO C=CCOCC[NH+]1CC(N(C)C(=O)c2ccc3ncsc3c2)C1 ZINC001671192321 1352707901 /nfs/dbraw/zinc/70/79/01/1352707901.db2.gz ASHVMQNSMHDPQR-UHFFFAOYSA-N 1 2 331.441 2.255 10 30 EEEELO C=C[C@@H](CC)CC(=O)N(C)C[C@@H]1CC[N@@H+]1CC(=O)N1CCC(C)CC1 ZINC001656084079 1354197442 /nfs/dbraw/zinc/19/74/42/1354197442.db2.gz BPYUDTBSKSZPSW-ROUUACIJSA-N 1 2 349.519 2.380 10 30 EEEELO C=C[C@@H](CC)CC(=O)N(C)C[C@@H]1CC[N@H+]1CC(=O)N1CCC(C)CC1 ZINC001656084079 1354197446 /nfs/dbraw/zinc/19/74/46/1354197446.db2.gz BPYUDTBSKSZPSW-ROUUACIJSA-N 1 2 349.519 2.380 10 30 EEEELO Cc1cnc(C[N@@H+](C)C[C@@H]2CCCCN2C(=O)C#CC(C)C)nc1 ZINC001657063589 1354315539 /nfs/dbraw/zinc/31/55/39/1354315539.db2.gz TYMIOCPFNILITD-KRWDZBQOSA-N 1 2 328.460 2.257 10 30 EEEELO Cc1cnc(C[N@H+](C)C[C@@H]2CCCCN2C(=O)C#CC(C)C)nc1 ZINC001657063589 1354315545 /nfs/dbraw/zinc/31/55/45/1354315545.db2.gz TYMIOCPFNILITD-KRWDZBQOSA-N 1 2 328.460 2.257 10 30 EEEELO C#CCOc1ccc(C(=O)NCCC[N@@H+](C)Cc2coc(C)n2)cc1 ZINC001660326688 1354441178 /nfs/dbraw/zinc/44/11/78/1354441178.db2.gz KSKYTKACYXLWKY-UHFFFAOYSA-N 1 2 341.411 2.247 10 30 EEEELO C#CCOc1ccc(C(=O)NCCC[N@H+](C)Cc2coc(C)n2)cc1 ZINC001660326688 1354441179 /nfs/dbraw/zinc/44/11/79/1354441179.db2.gz KSKYTKACYXLWKY-UHFFFAOYSA-N 1 2 341.411 2.247 10 30 EEEELO C#CCCCCCC(=O)N[C@@H]1CC[N@H+](Cc2cc3n(n2)CCCC3)C1 ZINC001661011180 1354573300 /nfs/dbraw/zinc/57/33/00/1354573300.db2.gz MTPWOTCJOJUCFG-QGZVFWFLSA-N 1 2 342.487 2.494 10 30 EEEELO C#CCCCCCC(=O)N[C@@H]1CC[N@@H+](Cc2cc3n(n2)CCCC3)C1 ZINC001661011180 1354573305 /nfs/dbraw/zinc/57/33/05/1354573305.db2.gz MTPWOTCJOJUCFG-QGZVFWFLSA-N 1 2 342.487 2.494 10 30 EEEELO C=CCCCC(=O)N[C@@H]1CC[N@@H+]([C@H]2CCN(c3ccccc3)C2=O)C1 ZINC001661015930 1354574685 /nfs/dbraw/zinc/57/46/85/1354574685.db2.gz PZJJAPXMVUAKQJ-AEFFLSMTSA-N 1 2 341.455 2.339 10 30 EEEELO C=CCCCC(=O)N[C@@H]1CC[N@H+]([C@H]2CCN(c3ccccc3)C2=O)C1 ZINC001661015930 1354574686 /nfs/dbraw/zinc/57/46/86/1354574686.db2.gz PZJJAPXMVUAKQJ-AEFFLSMTSA-N 1 2 341.455 2.339 10 30 EEEELO C=CCCC(=O)N(CCC)C1CC[NH+](Cc2cn(CC)nn2)CC1 ZINC001661083526 1354588406 /nfs/dbraw/zinc/58/84/06/1354588406.db2.gz QMNWFRHYVPCDPU-UHFFFAOYSA-N 1 2 333.480 2.467 10 30 EEEELO CCCCCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCS(C)(=O)=O ZINC001661257342 1354618344 /nfs/dbraw/zinc/61/83/44/1354618344.db2.gz DMKJAFSRPASJRR-IYBDPMFKSA-N 1 2 344.521 2.067 10 30 EEEELO CCCCCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCS(C)(=O)=O ZINC001661257342 1354618347 /nfs/dbraw/zinc/61/83/47/1354618347.db2.gz DMKJAFSRPASJRR-IYBDPMFKSA-N 1 2 344.521 2.067 10 30 EEEELO C=C(C)C(C)(C)C(=O)NC[C@@H]1CCC[N@H+](CC(=O)Nc2ccon2)C1 ZINC001661733281 1354683809 /nfs/dbraw/zinc/68/38/09/1354683809.db2.gz KGZKXXQPSNBCPH-AWEZNQCLSA-N 1 2 348.447 2.044 10 30 EEEELO C=C(C)C(C)(C)C(=O)NC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccon2)C1 ZINC001661733281 1354683814 /nfs/dbraw/zinc/68/38/14/1354683814.db2.gz KGZKXXQPSNBCPH-AWEZNQCLSA-N 1 2 348.447 2.044 10 30 EEEELO C=C[C@](C)(CCOC)C(=O)N1CCC[C@H]([N@H+](C)Cc2nccn2C)C1 ZINC001662851249 1354864791 /nfs/dbraw/zinc/86/47/91/1354864791.db2.gz PYFLZLKDANYNST-QFBILLFUSA-N 1 2 348.491 2.072 10 30 EEEELO C=C[C@](C)(CCOC)C(=O)N1CCC[C@H]([N@@H+](C)Cc2nccn2C)C1 ZINC001662851249 1354864796 /nfs/dbraw/zinc/86/47/96/1354864796.db2.gz PYFLZLKDANYNST-QFBILLFUSA-N 1 2 348.491 2.072 10 30 EEEELO C#CCCCC(=O)NCC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(C)cc1 ZINC001663172324 1354930912 /nfs/dbraw/zinc/93/09/12/1354930912.db2.gz WFKDGDHRTSMFIO-MRXNPFEDSA-N 1 2 329.444 2.174 10 30 EEEELO C#CCCCC(=O)NCC[N@H+](C)[C@H](C)C(=O)Nc1ccc(C)cc1 ZINC001663172324 1354930914 /nfs/dbraw/zinc/93/09/14/1354930914.db2.gz WFKDGDHRTSMFIO-MRXNPFEDSA-N 1 2 329.444 2.174 10 30 EEEELO CC(C)C#CC(=O)NC[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc(F)cc1 ZINC001663493589 1354972020 /nfs/dbraw/zinc/97/20/20/1354972020.db2.gz ROJQHSDJUHLSAH-KRWDZBQOSA-N 1 2 345.418 2.004 10 30 EEEELO CC(C)C#CC(=O)NC[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc(F)cc1 ZINC001663493589 1354972021 /nfs/dbraw/zinc/97/20/21/1354972021.db2.gz ROJQHSDJUHLSAH-KRWDZBQOSA-N 1 2 345.418 2.004 10 30 EEEELO CCC[C@H](C)NC(=O)C[N@@H+]1CC[C@H](N(CCC)C(=O)C#CC2CC2)C1 ZINC001664667472 1355205880 /nfs/dbraw/zinc/20/58/80/1355205880.db2.gz KXWCZHCLEXFFRO-WMZOPIPTSA-N 1 2 347.503 2.018 10 30 EEEELO CCC[C@H](C)NC(=O)C[N@H+]1CC[C@H](N(CCC)C(=O)C#CC2CC2)C1 ZINC001664667472 1355205882 /nfs/dbraw/zinc/20/58/82/1355205882.db2.gz KXWCZHCLEXFFRO-WMZOPIPTSA-N 1 2 347.503 2.018 10 30 EEEELO C=CCCC(=O)NCC1C[NH+]([C@@H](C)C(=O)Nc2ccc(C)c(F)c2)C1 ZINC001665262545 1355284562 /nfs/dbraw/zinc/28/45/62/1355284562.db2.gz CMKQQMQZOSTAKP-AWEZNQCLSA-N 1 2 347.434 2.475 10 30 EEEELO C=CCOCCCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H](C)c1cnc(C)cn1 ZINC001665382750 1355297289 /nfs/dbraw/zinc/29/72/89/1355297289.db2.gz YPHQEQTWEGDNLQ-IKGGRYGDSA-N 1 2 344.459 2.114 10 30 EEEELO C=CCOCCCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H](C)c1cnc(C)cn1 ZINC001665382750 1355297294 /nfs/dbraw/zinc/29/72/94/1355297294.db2.gz YPHQEQTWEGDNLQ-IKGGRYGDSA-N 1 2 344.459 2.114 10 30 EEEELO CCN(C(=O)C[N@@H+]1CC[C@H](NC(=O)C#CC(C)C)C1)C1CCCCC1 ZINC001665458916 1355313922 /nfs/dbraw/zinc/31/39/22/1355313922.db2.gz CEMSIQVKWSCINM-KRWDZBQOSA-N 1 2 347.503 2.018 10 30 EEEELO CCN(C(=O)C[N@H+]1CC[C@H](NC(=O)C#CC(C)C)C1)C1CCCCC1 ZINC001665458916 1355313925 /nfs/dbraw/zinc/31/39/25/1355313925.db2.gz CEMSIQVKWSCINM-KRWDZBQOSA-N 1 2 347.503 2.018 10 30 EEEELO C#CC[NH2+]Cc1ccc(CNC(=O)c2c[nH]c3ccccc3c2=O)cc1 ZINC001666337718 1355512615 /nfs/dbraw/zinc/51/26/15/1355512615.db2.gz OTCXRQPHYGRGFX-UHFFFAOYSA-N 1 2 345.402 2.181 10 30 EEEELO C=CCOCC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC001666729570 1355578689 /nfs/dbraw/zinc/57/86/89/1355578689.db2.gz IVDDWHYWUBJGHY-KZNAEPCWSA-N 1 2 338.492 2.222 10 30 EEEELO C=CCOCC[N@H+]1CCO[C@H](CNC(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC001666729570 1355578695 /nfs/dbraw/zinc/57/86/95/1355578695.db2.gz IVDDWHYWUBJGHY-KZNAEPCWSA-N 1 2 338.492 2.222 10 30 EEEELO C=CCCC(=O)N(C)[C@@H](C)C[NH2+]Cc1nnc(C(F)(F)F)s1 ZINC001666865287 1355605099 /nfs/dbraw/zinc/60/50/99/1355605099.db2.gz SCVIDPLYGYDTHN-VIFPVBQESA-N 1 2 336.383 2.460 10 30 EEEELO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)CC[C@H]2CCc3ccccc32)C1 ZINC001671459280 1356342205 /nfs/dbraw/zinc/34/22/05/1356342205.db2.gz PAXBWFCMNFWSIX-MSOLQXFVSA-N 1 2 346.496 2.124 10 30 EEEELO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)CC[C@H]2CCc3ccccc32)C1 ZINC001671459280 1356342207 /nfs/dbraw/zinc/34/22/07/1356342207.db2.gz PAXBWFCMNFWSIX-MSOLQXFVSA-N 1 2 346.496 2.124 10 30 EEEELO CCc1cnc(C[N@@H+]2CC[C@H]3[C@@H]2CCCN3C(=O)CSCC#N)o1 ZINC001672510018 1356539410 /nfs/dbraw/zinc/53/94/10/1356539410.db2.gz SKPLVEMBTZSAAL-GJZGRUSLSA-N 1 2 348.472 2.059 10 30 EEEELO CCc1cnc(C[N@H+]2CC[C@H]3[C@@H]2CCCN3C(=O)CSCC#N)o1 ZINC001672510018 1356539416 /nfs/dbraw/zinc/53/94/16/1356539416.db2.gz SKPLVEMBTZSAAL-GJZGRUSLSA-N 1 2 348.472 2.059 10 30 EEEELO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)COc1ccccc1Cl ZINC001673069647 1356642006 /nfs/dbraw/zinc/64/20/06/1356642006.db2.gz DNVHWNGWWUOFGA-AWEZNQCLSA-N 1 2 338.835 2.112 10 30 EEEELO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)COc1ccccc1Cl ZINC001673069647 1356642007 /nfs/dbraw/zinc/64/20/07/1356642007.db2.gz DNVHWNGWWUOFGA-AWEZNQCLSA-N 1 2 338.835 2.112 10 30 EEEELO C=C1CC(C)(C(=O)N2CCOC3(C[NH+](C[C@@H](OCC)C4CC4)C3)C2)C1 ZINC001673518041 1356701570 /nfs/dbraw/zinc/70/15/70/1356701570.db2.gz NFHQMRCCUJOPON-QGZVFWFLSA-N 1 2 348.487 2.071 10 30 EEEELO C=CCCC(=O)N[C@@H]1COC2(C[NH+](Cc3cccc(OC)c3C)C2)C1 ZINC001673550277 1356708722 /nfs/dbraw/zinc/70/87/22/1356708722.db2.gz ISXNKFRGASDUST-KRWDZBQOSA-N 1 2 344.455 2.429 10 30 EEEELO C#Cc1cccc(NC(=O)C[N@@H+](C)[C@H](C)CNC(=O)C2(C)CCC2)c1 ZINC001674981444 1356920725 /nfs/dbraw/zinc/92/07/25/1356920725.db2.gz VZDPHAPKDQYUBT-OAHLLOKOSA-N 1 2 341.455 2.233 10 30 EEEELO C#Cc1cccc(NC(=O)C[N@H+](C)[C@H](C)CNC(=O)C2(C)CCC2)c1 ZINC001674981444 1356920731 /nfs/dbraw/zinc/92/07/31/1356920731.db2.gz VZDPHAPKDQYUBT-OAHLLOKOSA-N 1 2 341.455 2.233 10 30 EEEELO CC(C)(C)C#CC(=O)NC1(CCO)C[NH+]([C@H]2CCc3ccccc32)C1 ZINC001675076133 1356932190 /nfs/dbraw/zinc/93/21/90/1356932190.db2.gz AULTZPVLTAFJMO-SFHVURJKSA-N 1 2 340.467 2.276 10 30 EEEELO C#Cc1ccc(C(=O)N[C@H](CCCC)C[NH2+]Cc2nnc(C)o2)cc1 ZINC001675228191 1356947907 /nfs/dbraw/zinc/94/79/07/1356947907.db2.gz LCHNMZBPPWAGAN-QGZVFWFLSA-N 1 2 340.427 2.438 10 30 EEEELO C=CCC(C)(C)C(=O)N[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)[C@@H]1C ZINC001680464418 1357837604 /nfs/dbraw/zinc/83/76/04/1357837604.db2.gz WRESUZZXNHCBEP-HZPDHXFCSA-N 1 2 346.475 2.371 10 30 EEEELO C=C[C@](C)(CC)C(=O)NC[C@H](NC(=O)Cc1[nH]cc[nH+]1)C(C)(C)C ZINC001681069686 1357948868 /nfs/dbraw/zinc/94/88/68/1357948868.db2.gz WOUCGHNWIUATCW-SCLBCKFNSA-N 1 2 334.464 2.202 10 30 EEEELO C=C(C)C(C)(C)C(=O)N(C)C1CC(NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001681234499 1357966429 /nfs/dbraw/zinc/96/64/29/1357966429.db2.gz PINXWEJKDHOUPQ-VQCLRJIVSA-N 1 2 346.475 2.296 10 30 EEEELO C=C(C)C(C)(C)C(=O)N(C)C1CC(NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001681234499 1357966432 /nfs/dbraw/zinc/96/64/32/1357966432.db2.gz PINXWEJKDHOUPQ-VQCLRJIVSA-N 1 2 346.475 2.296 10 30 EEEELO C=C(C)CCC(=O)N1CCC2(CN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC001681609487 1358040015 /nfs/dbraw/zinc/04/00/15/1358040015.db2.gz LJOFVKLMFBCRCY-MRXNPFEDSA-N 1 2 344.459 2.251 10 30 EEEELO C=CCCC(=O)N1CC2(C[C@@H]1C)CCN(C(=O)Cn1cc[nH+]c1)CC2 ZINC001684591515 1358269763 /nfs/dbraw/zinc/26/97/63/1358269763.db2.gz REQHMRMSJQSIEI-INIZCTEOSA-N 1 2 344.459 2.079 10 30 EEEELO C=CCC1(C(=O)N[C@H]2C[C@@H](NC(=O)CCc3c[nH]c[nH+]3)C2)CCCC1 ZINC001688052979 1358749156 /nfs/dbraw/zinc/74/91/56/1358749156.db2.gz CHHQSXXUNMGFKO-IYBDPMFKSA-N 1 2 344.459 2.242 10 30 EEEELO C=CCC1(C(=O)N[C@H]2C[C@@H](NC(=O)CCc3c[nH+]c[nH]3)C2)CCCC1 ZINC001688052979 1358749160 /nfs/dbraw/zinc/74/91/60/1358749160.db2.gz CHHQSXXUNMGFKO-IYBDPMFKSA-N 1 2 344.459 2.242 10 30 EEEELO C=CCC(C)(C)C(=O)NCCN(CC)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001688399589 1358944949 /nfs/dbraw/zinc/94/49/49/1358944949.db2.gz VXGRVFQIICBSCV-HNNXBMFYSA-N 1 2 346.475 2.013 10 30 EEEELO C=C[C@H](CC)CC(=O)NCCN(CC)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001688418505 1358952724 /nfs/dbraw/zinc/95/27/24/1358952724.db2.gz YBHDLGXSOQEESW-HZPDHXFCSA-N 1 2 346.475 2.013 10 30 EEEELO C=CCCCC(=O)N(CC)[C@@H]1CC[N@H+](Cc2cncc(OC)n2)C1 ZINC001698585136 1404906442 /nfs/dbraw/zinc/90/64/42/1404906442.db2.gz KPFQXUNHTRCCBY-MRXNPFEDSA-N 1 2 332.448 2.264 10 30 EEEELO C=CCCCC(=O)N(CC)[C@@H]1CC[N@@H+](Cc2cncc(OC)n2)C1 ZINC001698585136 1404906444 /nfs/dbraw/zinc/90/64/44/1404906444.db2.gz KPFQXUNHTRCCBY-MRXNPFEDSA-N 1 2 332.448 2.264 10 30 EEEELO CCCCc1noc([C@H](C)[NH2+]C/C=C\CNC(=O)C#CC(C)C)n1 ZINC001699255840 1405295986 /nfs/dbraw/zinc/29/59/86/1405295986.db2.gz SXOVXMDZRJUSCQ-LZNQSLFOSA-N 1 2 332.448 2.395 10 30 EEEELO C[C@@H](C[N@H+](C)CC#Cc1ccccc1)NC(=O)C(F)C(F)(F)F ZINC001699444139 1405359642 /nfs/dbraw/zinc/35/96/42/1405359642.db2.gz XDPRWTKWYMJLBK-GXTWGEPZSA-N 1 2 330.325 2.375 10 30 EEEELO C[C@@H](C[N@@H+](C)CC#Cc1ccccc1)NC(=O)C(F)C(F)(F)F ZINC001699444139 1405359650 /nfs/dbraw/zinc/35/96/50/1405359650.db2.gz XDPRWTKWYMJLBK-GXTWGEPZSA-N 1 2 330.325 2.375 10 30 EEEELO C[N@@H+]1CCN(S(=O)(=O)c2ccc(C#N)c(F)c2)C[C@H]1C(C)(C)C ZINC000919603945 770083863 /nfs/dbraw/zinc/08/38/63/770083863.db2.gz LPBWGDXEILTXLG-HNNXBMFYSA-N 1 2 339.436 2.048 10 30 EEEELO C[N@H+]1CCN(S(=O)(=O)c2ccc(C#N)c(F)c2)C[C@H]1C(C)(C)C ZINC000919603945 770083874 /nfs/dbraw/zinc/08/38/74/770083874.db2.gz LPBWGDXEILTXLG-HNNXBMFYSA-N 1 2 339.436 2.048 10 30 EEEELO C#Cc1ccc(NC(=O)CC[N@@H+]2CCNC(=O)[C@H]2c2ccccc2)cc1 ZINC001167804927 774251469 /nfs/dbraw/zinc/25/14/69/774251469.db2.gz ULNMNLHOISAOFA-HXUWFJFHSA-N 1 2 347.418 2.170 10 30 EEEELO C#Cc1ccc(NC(=O)CC[N@H+]2CCNC(=O)[C@H]2c2ccccc2)cc1 ZINC001167804927 774251474 /nfs/dbraw/zinc/25/14/74/774251474.db2.gz ULNMNLHOISAOFA-HXUWFJFHSA-N 1 2 347.418 2.170 10 30 EEEELO CC#CC[NH+]1CC(N2CCN(C(=O)c3sccc3C(C)C)CC2)C1 ZINC000941677052 780893708 /nfs/dbraw/zinc/89/37/08/780893708.db2.gz IVUSHTWZZPSIJP-UHFFFAOYSA-N 1 2 345.512 2.337 10 30 EEEELO Cc1nsc(NC(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)c1C#N ZINC000459564207 788099299 /nfs/dbraw/zinc/09/92/99/788099299.db2.gz DWBNHGAIZCSUFH-NSHDSACASA-N 1 2 330.417 2.468 10 30 EEEELO C#CCCN(CCOC)C(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000912729273 788320410 /nfs/dbraw/zinc/32/04/10/788320410.db2.gz YPGGLRPRNUSFCR-UHFFFAOYSA-N 1 2 340.427 2.107 10 30 EEEELO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2cc(C#N)c(F)cc2C)C1 ZINC000913817367 794336117 /nfs/dbraw/zinc/33/61/17/794336117.db2.gz PVLIILYFGNVXPF-ZDUSSCGKSA-N 1 2 347.390 2.219 10 30 EEEELO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2cc(C#N)c(F)cc2C)C1 ZINC000913817367 794336120 /nfs/dbraw/zinc/33/61/20/794336120.db2.gz PVLIILYFGNVXPF-ZDUSSCGKSA-N 1 2 347.390 2.219 10 30 EEEELO C=C(Br)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)OC(C)(C)C ZINC000879082914 1200850978 /nfs/dbraw/zinc/85/09/78/1200850978.db2.gz GVTFRLOFUSCCSW-LLVKDONJSA-N 1 2 337.258 2.055 10 30 EEEELO C=C(Br)C[N@H+](C)C[C@@H](O)CN(C)C(=O)OC(C)(C)C ZINC000879082914 1200850989 /nfs/dbraw/zinc/85/09/89/1200850989.db2.gz GVTFRLOFUSCCSW-LLVKDONJSA-N 1 2 337.258 2.055 10 30 EEEELO C[N@@H+](Cc1cscn1)C[C@@H]1CCCCN1C(=O)CSCC#N ZINC001566119627 1125566332 /nfs/dbraw/zinc/56/63/32/1125566332.db2.gz MAYCWGDRPVLEAP-AWEZNQCLSA-N 1 2 338.502 2.213 10 30 EEEELO C[N@H+](Cc1cscn1)C[C@@H]1CCCCN1C(=O)CSCC#N ZINC001566119627 1125566336 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1 2 335.839 2.013 10 30 EEEELO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1cnn(C)c1-n1cccc1 ZINC001445773661 1091638061 /nfs/dbraw/zinc/63/80/61/1091638061.db2.gz HFKNJLGTFMGNAS-ZDUSSCGKSA-N 1 2 335.839 2.013 10 30 EEEELO C[C@H](C[N@H+](C)Cc1nc2c(o1)CCCC2)NC(=O)c1ccc(C#N)[nH]1 ZINC001439321537 1091997579 /nfs/dbraw/zinc/99/75/79/1091997579.db2.gz TYGREKGBTOBELC-GFCCVEGCSA-N 1 2 341.415 2.003 10 30 EEEELO C[C@H](C[N@@H+](C)Cc1nc2c(o1)CCCC2)NC(=O)c1ccc(C#N)[nH]1 ZINC001439321537 1091997585 /nfs/dbraw/zinc/99/75/85/1091997585.db2.gz TYGREKGBTOBELC-GFCCVEGCSA-N 1 2 341.415 2.003 10 30 EEEELO C[C@@H](C#N)C(=O)NC[C@@H]1c2ccccc2CC[N@H+]1Cc1cccnc1 ZINC001440690980 1093943367 /nfs/dbraw/zinc/94/33/67/1093943367.db2.gz TUYWBRUEACEGOG-HNAYVOBHSA-N 1 2 334.423 2.457 10 30 EEEELO C[C@@H](C#N)C(=O)NC[C@@H]1c2ccccc2CC[N@@H+]1Cc1cccnc1 ZINC001440690980 1093943372 /nfs/dbraw/zinc/94/33/72/1093943372.db2.gz TUYWBRUEACEGOG-HNAYVOBHSA-N 1 2 334.423 2.457 10 30 EEEELO Cc1nocc1C[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@H](C)C#N ZINC001440693426 1093945812 /nfs/dbraw/zinc/94/58/12/1093945812.db2.gz ZEMKDJUJWJIRLG-FZKQIMNGSA-N 1 2 338.411 2.358 10 30 EEEELO Cc1nocc1C[N@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@H](C)C#N ZINC001440693426 1093945814 /nfs/dbraw/zinc/94/58/14/1093945814.db2.gz ZEMKDJUJWJIRLG-FZKQIMNGSA-N 1 2 338.411 2.358 10 30 EEEELO C[C@@H](C#N)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2Br)C1 ZINC001441090575 1094387588 /nfs/dbraw/zinc/38/75/88/1094387588.db2.gz ZROXOHVFDYQWAB-AAEUAGOBSA-N 1 2 336.233 2.299 10 30 EEEELO C[C@@H](C#N)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2Br)C1 ZINC001441090575 1094387592 /nfs/dbraw/zinc/38/75/92/1094387592.db2.gz ZROXOHVFDYQWAB-AAEUAGOBSA-N 1 2 336.233 2.299 10 30 EEEELO CCCc1nnc(C[NH+]2CCC3(C[C@H]3NC(=O)[C@@H](C)C#N)CC2)s1 ZINC001441143760 1094479931 /nfs/dbraw/zinc/47/99/31/1094479931.db2.gz SNIFRGKXURTSCX-QWHCGFSZSA-N 1 2 347.488 2.121 10 30 EEEELO CC[N@H+](CCNC(=O)[C@H]1C[C@]12CCOC2)Cc1cc(F)ccc1C#N ZINC001442736967 1097110746 /nfs/dbraw/zinc/11/07/46/1097110746.db2.gz BRHNCFCMAIWNCH-MJGOQNOKSA-N 1 2 345.418 2.062 10 30 EEEELO CC[N@@H+](CCNC(=O)[C@H]1C[C@]12CCOC2)Cc1cc(F)ccc1C#N ZINC001442736967 1097110749 /nfs/dbraw/zinc/11/07/49/1097110749.db2.gz BRHNCFCMAIWNCH-MJGOQNOKSA-N 1 2 345.418 2.062 10 30 EEEELO C[C@@H]1OCC[C@H]1C(=O)NCC[N@H+](Cc1cc(C#N)ccc1F)C1CC1 ZINC001443039166 1097447398 /nfs/dbraw/zinc/44/73/98/1097447398.db2.gz COVWEBGVDQISBD-SUMWQHHRSA-N 1 2 345.418 2.203 10 30 EEEELO C[C@@H]1OCC[C@H]1C(=O)NCC[N@@H+](Cc1cc(C#N)ccc1F)C1CC1 ZINC001443039166 1097447401 /nfs/dbraw/zinc/44/74/01/1097447401.db2.gz COVWEBGVDQISBD-SUMWQHHRSA-N 1 2 345.418 2.203 10 30 EEEELO Cc1nnc(C[N@H+]2CCC[C@@H]3[C@@H](NC(=O)C#CC(C)C)C(C)(C)[C@H]32)o1 ZINC001479611341 1098632495 /nfs/dbraw/zinc/63/24/95/1098632495.db2.gz FQCHCSMPBVROLY-OLMNPRSZSA-N 1 2 344.459 2.143 10 30 EEEELO Cc1nnc(C[N@@H+]2CCC[C@@H]3[C@@H](NC(=O)C#CC(C)C)C(C)(C)[C@H]32)o1 ZINC001479611341 1098632500 /nfs/dbraw/zinc/63/25/00/1098632500.db2.gz FQCHCSMPBVROLY-OLMNPRSZSA-N 1 2 344.459 2.143 10 30 EEEELO C=C[C@@H](CC)CC(=O)N1C[C@@H]2C[N@@H+](Cc3cnn(CC)n3)CC[C@@H]2C1 ZINC001479670423 1098718192 /nfs/dbraw/zinc/71/81/92/1098718192.db2.gz HMGNUYUSGPEDKJ-BBWFWOEESA-N 1 2 345.491 2.181 10 30 EEEELO C=C[C@@H](CC)CC(=O)N1C[C@@H]2C[N@H+](Cc3cnn(CC)n3)CC[C@@H]2C1 ZINC001479670423 1098718203 /nfs/dbraw/zinc/71/82/03/1098718203.db2.gz HMGNUYUSGPEDKJ-BBWFWOEESA-N 1 2 345.491 2.181 10 30 EEEELO C=C1CC(C)(C(=O)NCCC[N@@H+](C)Cc2nnc3n2CCCCC3)C1 ZINC001479795032 1099008519 /nfs/dbraw/zinc/00/85/19/1099008519.db2.gz DDRPIFCIEASUBE-UHFFFAOYSA-N 1 2 345.491 2.299 10 30 EEEELO C=C1CC(C)(C(=O)NCCC[N@H+](C)Cc2nnc3n2CCCCC3)C1 ZINC001479795032 1099008531 /nfs/dbraw/zinc/00/85/31/1099008531.db2.gz DDRPIFCIEASUBE-UHFFFAOYSA-N 1 2 345.491 2.299 10 30 EEEELO C=C(Br)C[N@H+](C)CCCNC(=O)c1ccnc(C)c1 ZINC001479803457 1099037963 /nfs/dbraw/zinc/03/79/63/1099037963.db2.gz RQNQIYQDXWWKHI-UHFFFAOYSA-N 1 2 326.238 2.350 10 30 EEEELO 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ZINC000521869529 468336984 /nfs/dbraw/zinc/33/69/84/468336984.db2.gz DPTPIVVHIPHVHO-CXAGYDPISA-N 1 2 331.441 2.093 10 30 EEEELO N#Cc1ccc(C2(C(=O)N3CC[NH+](Cc4cccnc4)CC3)CC2)cc1 ZINC000187604738 464143927 /nfs/dbraw/zinc/14/39/27/464143927.db2.gz DIHCUXZCFWLACH-UHFFFAOYSA-N 1 2 346.434 2.329 10 30 EEEELO C[NH+](C)Cc1cc(CNC(=O)c2ccc(C#N)c(O)c2)ccc1F ZINC000188506450 464299064 /nfs/dbraw/zinc/29/90/64/464299064.db2.gz ODAUWHFZOVWYPT-UHFFFAOYSA-N 1 2 327.359 2.395 10 30 EEEELO C#CCCCNC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(OC)cc1 ZINC000174105669 464362165 /nfs/dbraw/zinc/36/21/65/464362165.db2.gz ANDTZICYNBYMQG-MRXNPFEDSA-N 1 2 326.400 2.231 10 30 EEEELO N#Cc1ccc(C(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)nc1 ZINC000188767602 464364236 /nfs/dbraw/zinc/36/42/36/464364236.db2.gz RSJQTLMZOVHLOB-UHFFFAOYSA-N 1 2 340.814 2.395 10 30 EEEELO N#Cc1ccc(C(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)nc1 ZINC000188767602 464364239 /nfs/dbraw/zinc/36/42/39/464364239.db2.gz RSJQTLMZOVHLOB-UHFFFAOYSA-N 1 2 340.814 2.395 10 30 EEEELO 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2.225 10 30 EEEELO C=CC(C)(C)CC(=O)NC1C[NH+](C[C@@H](O)Cc2ccc(F)cc2)C1 ZINC001268310142 1182230143 /nfs/dbraw/zinc/23/01/43/1182230143.db2.gz DEZLLPAKZNRJAD-KRWDZBQOSA-N 1 2 334.435 2.132 10 30 EEEELO Cc1nc(C[N@@H+]2CC[C@@H](NC(=O)CC#Cc3ccccc3)C2)c(C)o1 ZINC001481710087 1182285033 /nfs/dbraw/zinc/28/50/33/1182285033.db2.gz WIDPHKIQJZTXLO-GOSISDBHSA-N 1 2 337.423 2.424 10 30 EEEELO Cc1nc(C[N@H+]2CC[C@@H](NC(=O)CC#Cc3ccccc3)C2)c(C)o1 ZINC001481710087 1182285039 /nfs/dbraw/zinc/28/50/39/1182285039.db2.gz WIDPHKIQJZTXLO-GOSISDBHSA-N 1 2 337.423 2.424 10 30 EEEELO C=CCCO[C@@H](C)C(=O)N(C)[C@H]1CC[N@H+](Cc2ccc(F)cn2)C1 ZINC001481716122 1182305515 /nfs/dbraw/zinc/30/55/15/1182305515.db2.gz FEHRNLSCEQSICY-YOEHRIQHSA-N 1 2 335.423 2.235 10 30 EEEELO C=CCCO[C@@H](C)C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccc(F)cn2)C1 ZINC001481716122 1182305520 /nfs/dbraw/zinc/30/55/20/1182305520.db2.gz FEHRNLSCEQSICY-YOEHRIQHSA-N 1 2 335.423 2.235 10 30 EEEELO C=CCOCCCC(=O)N(C)[C@H]1CC[N@H+](Cc2ncc(C)s2)C1 ZINC001481721376 1182368516 /nfs/dbraw/zinc/36/85/16/1182368516.db2.gz SWJDYJSFJILKTI-HNNXBMFYSA-N 1 2 337.489 2.467 10 30 EEEELO C=CCOCCCC(=O)N(C)[C@H]1CC[N@@H+](Cc2ncc(C)s2)C1 ZINC001481721376 1182368524 /nfs/dbraw/zinc/36/85/24/1182368524.db2.gz SWJDYJSFJILKTI-HNNXBMFYSA-N 1 2 337.489 2.467 10 30 EEEELO C=C(Br)C[N@H+]1CC[C@@H](N(CC)C(=O)C[C@@H]2CCCO2)C1 ZINC001481759831 1182596188 /nfs/dbraw/zinc/59/61/88/1182596188.db2.gz SNQAVMHNTRMXTR-KGLIPLIRSA-N 1 2 345.281 2.387 10 30 EEEELO C=C(Br)C[N@@H+]1CC[C@@H](N(CC)C(=O)C[C@@H]2CCCO2)C1 ZINC001481759831 1182596194 /nfs/dbraw/zinc/59/61/94/1182596194.db2.gz SNQAVMHNTRMXTR-KGLIPLIRSA-N 1 2 345.281 2.387 10 30 EEEELO CCN(CC[NH2+]Cc1nnc(C(F)F)s1)C(=O)C#CC(C)C ZINC001268448494 1182623768 /nfs/dbraw/zinc/62/37/68/1182623768.db2.gz LBGKOEMDGDGRGK-UHFFFAOYSA-N 1 2 330.404 2.073 10 30 EEEELO C=C1CC(C)(C(=O)N[C@H](C)C[NH2+]Cc2csc(NC(C)=O)n2)C1 ZINC001268661353 1183589035 /nfs/dbraw/zinc/58/90/35/1183589035.db2.gz RTXKYSUBQMSPFC-LLVKDONJSA-N 1 2 336.461 2.052 10 30 EEEELO C#Cc1cccc(NC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)CCC(=C)C)c1 ZINC001268731976 1183649577 /nfs/dbraw/zinc/64/95/77/1183649577.db2.gz DUMLVJITYCTPMA-MRXNPFEDSA-N 1 2 341.455 2.399 10 30 EEEELO C#Cc1cccc(NC(=O)C[N@H+](C)C[C@@H](C)NC(=O)CCC(=C)C)c1 ZINC001268731976 1183649579 /nfs/dbraw/zinc/64/95/79/1183649579.db2.gz DUMLVJITYCTPMA-MRXNPFEDSA-N 1 2 341.455 2.399 10 30 EEEELO O=C(C#CC1CC1)N[C@H]1CC[N@H+](Cc2coc(-c3ccccc3)n2)C1 ZINC001269022906 1183902117 /nfs/dbraw/zinc/90/21/17/1183902117.db2.gz JWMVFHMZDXUTFO-KRWDZBQOSA-N 1 2 335.407 2.446 10 30 EEEELO O=C(C#CC1CC1)N[C@H]1CC[N@@H+](Cc2coc(-c3ccccc3)n2)C1 ZINC001269022906 1183902120 /nfs/dbraw/zinc/90/21/20/1183902120.db2.gz JWMVFHMZDXUTFO-KRWDZBQOSA-N 1 2 335.407 2.446 10 30 EEEELO C=C(C)[C@H](CC(=O)N[C@H]1CC[N@H+](Cc2ccc(F)cn2)C1)OCC ZINC001269030053 1183907734 /nfs/dbraw/zinc/90/77/34/1183907734.db2.gz YZCAPOGETWGPKO-IRXDYDNUSA-N 1 2 335.423 2.283 10 30 EEEELO C=C(C)[C@H](CC(=O)N[C@H]1CC[N@@H+](Cc2ccc(F)cn2)C1)OCC ZINC001269030053 1183907735 /nfs/dbraw/zinc/90/77/35/1183907735.db2.gz YZCAPOGETWGPKO-IRXDYDNUSA-N 1 2 335.423 2.283 10 30 EEEELO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H](C)Cc2cccc(F)c2)C1 ZINC001482207271 1183996733 /nfs/dbraw/zinc/99/67/33/1183996733.db2.gz PDPLWOMZKLKAKN-YJBOKZPZSA-N 1 2 334.435 2.397 10 30 EEEELO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@@H](C)Cc2cccc(F)c2)C1 ZINC001482207271 1183996739 /nfs/dbraw/zinc/99/67/39/1183996739.db2.gz PDPLWOMZKLKAKN-YJBOKZPZSA-N 1 2 334.435 2.397 10 30 EEEELO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1([NH2+]Cc2nc(C)c(C)o2)CC1 ZINC001269505858 1184327599 /nfs/dbraw/zinc/32/75/99/1184327599.db2.gz NKOKGNDXBMSSGL-HOCLYGCPSA-N 1 2 333.432 2.011 10 30 EEEELO C#CCN(C(C)=O)C1CC[NH+]([C@H](C)c2nnc(CC(C)C)o2)CC1 ZINC001270272996 1184975536 /nfs/dbraw/zinc/97/55/36/1184975536.db2.gz AIGAYKZOYJKNSD-CQSZACIVSA-N 1 2 332.448 2.275 10 30 EEEELO C#CCN(C(=O)C[C@H](C=C)CC)C1CC[NH+](Cc2ccn(C)n2)CC1 ZINC001270338812 1185030015 /nfs/dbraw/zinc/03/00/15/1185030015.db2.gz RUDAYGOVBSKPDB-QGZVFWFLSA-N 1 2 342.487 2.449 10 30 EEEELO C#CCN(C(=O)C1CC2(CC2)C1)C1CC[NH+](Cc2nccn2C)CC1 ZINC001270346115 1185034805 /nfs/dbraw/zinc/03/48/05/1185034805.db2.gz ZHMYCNOXXMFCNL-UHFFFAOYSA-N 1 2 340.471 2.037 10 30 EEEELO O=C(C#CC1CC1)N[C@@H](C[NH2+]Cc1nc(C2CC2)no1)C1CCCC1 ZINC001270397701 1185074472 /nfs/dbraw/zinc/07/44/72/1185074472.db2.gz RYGQBEDLRJPXIT-INIZCTEOSA-N 1 2 342.443 2.125 10 30 EEEELO CC(C)C#CC(=O)NC[C@H]1C[N@H+](CCCc2ccsc2)CCO1 ZINC001270648050 1185262814 /nfs/dbraw/zinc/26/28/14/1185262814.db2.gz ADFNWVLHTZOKKC-KRWDZBQOSA-N 1 2 334.485 2.157 10 30 EEEELO CC(C)C#CC(=O)NC[C@H]1C[N@@H+](CCCc2ccsc2)CCO1 ZINC001270648050 1185262821 /nfs/dbraw/zinc/26/28/21/1185262821.db2.gz ADFNWVLHTZOKKC-KRWDZBQOSA-N 1 2 334.485 2.157 10 30 EEEELO C=C(C)C(C)(C)C(=O)NCC1(C)CC[NH+](Cc2nncn2C)CC1 ZINC001270898994 1185690760 /nfs/dbraw/zinc/69/07/60/1185690760.db2.gz BDRCTENUSSMEPK-UHFFFAOYSA-N 1 2 333.480 2.136 10 30 EEEELO C#CCCCC(=O)NC[C@@]1(C)CCC[N@@H+](Cc2ncnn2C(C)C)C1 ZINC001270959482 1185774681 /nfs/dbraw/zinc/77/46/81/1185774681.db2.gz WWVMQXAPYOMSME-LJQANCHMSA-N 1 2 345.491 2.381 10 30 EEEELO C#CCCCC(=O)NC[C@@]1(C)CCC[N@H+](Cc2ncnn2C(C)C)C1 ZINC001270959482 1185774688 /nfs/dbraw/zinc/77/46/88/1185774688.db2.gz WWVMQXAPYOMSME-LJQANCHMSA-N 1 2 345.491 2.381 10 30 EEEELO CC(C)[C@@H](CNC(=O)c1cc(C#N)c[nH]1)[NH2+]CC(F)(F)C(F)F ZINC001271822531 1186523572 /nfs/dbraw/zinc/52/35/72/1186523572.db2.gz UDLYKMJUCSWDTH-LLVKDONJSA-N 1 2 334.317 2.131 10 30 EEEELO C=C[C@@H]1OCC[C@H]1C(=O)N(C)CC[N@H+](C)Cc1cc(F)ccc1C#N ZINC001482629462 1187454618 /nfs/dbraw/zinc/45/46/18/1187454618.db2.gz YZEUBCCTGKHVAG-MSOLQXFVSA-N 1 2 345.418 2.179 10 30 EEEELO C=C[C@@H]1OCC[C@H]1C(=O)N(C)CC[N@@H+](C)Cc1cc(F)ccc1C#N ZINC001482629462 1187454619 /nfs/dbraw/zinc/45/46/19/1187454619.db2.gz YZEUBCCTGKHVAG-MSOLQXFVSA-N 1 2 345.418 2.179 10 30 EEEELO C=C[C@](C)(CC)C(=O)NC/C=C\C[NH2+]Cc1ncnn1C(C)(C)C ZINC001483056420 1188333016 /nfs/dbraw/zinc/33/30/16/1188333016.db2.gz ILKBOGNEUHNKCV-HJCTWCACSA-N 1 2 333.480 2.397 10 30 EEEELO C[C@H](C[NH2+]CC#Cc1ccccc1)NC(=O)c1cccc2nc[nH]c21 ZINC001483178105 1189038473 /nfs/dbraw/zinc/03/84/73/1189038473.db2.gz VARVFSYERCSHRK-OAHLLOKOSA-N 1 2 332.407 2.323 10 30 EEEELO Cc1ccccc1-c1nc(C[NH2+][C@H](C)CN(C)C(=O)[C@@H](C)C#N)no1 ZINC001485856433 1193617739 /nfs/dbraw/zinc/61/77/39/1193617739.db2.gz SAGCTYBZGCSMHJ-UONOGXRCSA-N 1 2 341.415 2.141 10 30 EEEELO C=CC[C@H]([NH2+]CC1(c2ccc(OC)cc2)CCOCC1)C(=O)OC ZINC000905756653 1189912035 /nfs/dbraw/zinc/91/20/35/1189912035.db2.gz PETPOTBATSRYOH-KRWDZBQOSA-N 1 2 333.428 2.451 10 30 EEEELO C[C@@H](C#N)C(=O)NC1(CCO)C[NH+](Cc2cc3ccccc3s2)C1 ZINC001409704637 1190198809 /nfs/dbraw/zinc/19/88/09/1190198809.db2.gz ILYCESUFATYCIZ-ZDUSSCGKSA-N 1 2 343.452 2.114 10 30 EEEELO C=C(C)C(C)(C)C(=O)NCC1(NC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001299210128 1190564329 /nfs/dbraw/zinc/56/43/29/1190564329.db2.gz SKWQCXFRRDVCRJ-AWEZNQCLSA-N 1 2 332.448 2.202 10 30 EEEELO C=CCCCC(=O)NC[C@@H]1CC[N@H+]1[C@@H](C)C(=O)N1CCCCCC1 ZINC001483677260 1190736818 /nfs/dbraw/zinc/73/68/18/1190736818.db2.gz SMPJVCZIEHKQCP-IRXDYDNUSA-N 1 2 335.492 2.324 10 30 EEEELO C=CCCCC(=O)NC[C@@H]1CC[N@@H+]1[C@@H](C)C(=O)N1CCCCCC1 ZINC001483677260 1190736820 /nfs/dbraw/zinc/73/68/20/1190736820.db2.gz SMPJVCZIEHKQCP-IRXDYDNUSA-N 1 2 335.492 2.324 10 30 EEEELO Cc1cnc([C@@H](C)[N@@H+]2CC[C@H]3CC[C@@H](C2)N3C(=O)CSCC#N)o1 ZINC001483808112 1191053801 /nfs/dbraw/zinc/05/38/01/1191053801.db2.gz QQAPHFDNQKKLDH-KFWWJZLASA-N 1 2 348.472 2.366 10 30 EEEELO Cc1cnc([C@@H](C)[N@H+]2CC[C@H]3CC[C@@H](C2)N3C(=O)CSCC#N)o1 ZINC001483808112 1191053803 /nfs/dbraw/zinc/05/38/03/1191053803.db2.gz QQAPHFDNQKKLDH-KFWWJZLASA-N 1 2 348.472 2.366 10 30 EEEELO C#CCN(C(=O)C(C)C)C1CC[NH+]([C@@H](C)c2nnc(CC)o2)CC1 ZINC001483979797 1191139673 /nfs/dbraw/zinc/13/96/73/1191139673.db2.gz CJEDIOFSEIMRMR-AWEZNQCLSA-N 1 2 332.448 2.275 10 30 EEEELO C#CCN(C(=O)[C@@H]1C[C@H]1C)C1CC[NH+]([C@@H](C)c2nc(C)no2)CC1 ZINC001483985533 1191142800 /nfs/dbraw/zinc/14/28/00/1191142800.db2.gz AMCRNRHPOHDIFM-DVOMOZLQSA-N 1 2 330.432 2.021 10 30 EEEELO C=C[C@H](CC)CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ncnn1CC ZINC001484018428 1191157592 /nfs/dbraw/zinc/15/75/92/1191157592.db2.gz YZDMPWZZJPCLKG-ZACQAIPSSA-N 1 2 345.491 2.466 10 30 EEEELO C=C[C@H](CC)CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ncnn1CC ZINC001484018428 1191157594 /nfs/dbraw/zinc/15/75/94/1191157594.db2.gz YZDMPWZZJPCLKG-ZACQAIPSSA-N 1 2 345.491 2.466 10 30 EEEELO C=CCCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1nc(C(F)F)no1)C2 ZINC001484318828 1191302479 /nfs/dbraw/zinc/30/24/79/1191302479.db2.gz UWKQWDGZZUSXQG-TUAOUCFPSA-N 1 2 340.374 2.443 10 30 EEEELO C=CCCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1nc(C(F)F)no1)C2 ZINC001484318828 1191302481 /nfs/dbraw/zinc/30/24/81/1191302481.db2.gz UWKQWDGZZUSXQG-TUAOUCFPSA-N 1 2 340.374 2.443 10 30 EEEELO C=CCCC(=O)N1CCC[C@H]2C[N@@H+]([C@@H](C)c3nnc(CC)[nH]3)C[C@H]21 ZINC001484468432 1191373139 /nfs/dbraw/zinc/37/31/39/1191373139.db2.gz HOAOLCBXZXLOTQ-SOUVJXGZSA-N 1 2 331.464 2.317 10 30 EEEELO C=CCCC(=O)N1CCC[C@H]2C[N@H+]([C@@H](C)c3nnc(CC)[nH]3)C[C@H]21 ZINC001484468432 1191373142 /nfs/dbraw/zinc/37/31/42/1191373142.db2.gz HOAOLCBXZXLOTQ-SOUVJXGZSA-N 1 2 331.464 2.317 10 30 EEEELO O=C(C#CC1CC1)NC[C@@H]1COCC[N@H+]1CC[C@@H]1CCCC1(F)F ZINC001484592816 1191429706 /nfs/dbraw/zinc/42/97/06/1191429706.db2.gz SOQKEGFYXCMHMH-JKSUJKDBSA-N 1 2 340.414 2.042 10 30 EEEELO O=C(C#CC1CC1)NC[C@@H]1COCC[N@@H+]1CC[C@@H]1CCCC1(F)F ZINC001484592816 1191429708 /nfs/dbraw/zinc/42/97/08/1191429708.db2.gz SOQKEGFYXCMHMH-JKSUJKDBSA-N 1 2 340.414 2.042 10 30 EEEELO C=CCCC[NH+]1CC2(C1)CN(C(=O)c1scnc1Cl)CCO2 ZINC001484778405 1191516888 /nfs/dbraw/zinc/51/68/88/1191516888.db2.gz NJRHGZMNEVRDQN-UHFFFAOYSA-N 1 2 341.864 2.290 10 30 EEEELO C=CC(C)(C)CC(=O)N[C@@H]1COC2(C[NH+](CCOC3CCC3)C2)C1 ZINC001484795289 1191528784 /nfs/dbraw/zinc/52/87/84/1191528784.db2.gz FLKMXHDBGFPVOK-HNNXBMFYSA-N 1 2 336.476 2.117 10 30 EEEELO C=C(Cl)C[NH+]1CCC(CO)(NC(=O)[C@H](F)c2ccccc2)CC1 ZINC001485024089 1191618715 /nfs/dbraw/zinc/61/87/15/1191618715.db2.gz UXWRZIQBONUOCA-OAHLLOKOSA-N 1 2 340.826 2.393 10 30 EEEELO Cc1cc(C[NH2+][C@@H]2c3ccccc3C[C@H]2NC(=O)C#CC2CC2)on1 ZINC001485043530 1191623987 /nfs/dbraw/zinc/62/39/87/1191623987.db2.gz PLTNXPUGRLKBDX-UYAOXDASSA-N 1 2 335.407 2.268 10 30 EEEELO C=CCCOCC(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1nc(C)oc1C ZINC001485078606 1191646407 /nfs/dbraw/zinc/64/64/07/1191646407.db2.gz HHQGALGOWXYGHY-MRXNPFEDSA-N 1 2 335.448 2.307 10 30 EEEELO C=CCCOCC(=O)N1CCC[C@@H]1C[N@H+](C)Cc1nc(C)oc1C ZINC001485078606 1191646409 /nfs/dbraw/zinc/64/64/09/1191646409.db2.gz HHQGALGOWXYGHY-MRXNPFEDSA-N 1 2 335.448 2.307 10 30 EEEELO C#Cc1cccc(NC(=O)C[N@@H+](C)[C@H](C)CNC(=O)CC2(C)CC2)c1 ZINC001485330376 1191737514 /nfs/dbraw/zinc/73/75/14/1191737514.db2.gz TWRMHYPYDLGAQJ-OAHLLOKOSA-N 1 2 341.455 2.233 10 30 EEEELO C#Cc1cccc(NC(=O)C[N@H+](C)[C@H](C)CNC(=O)CC2(C)CC2)c1 ZINC001485330376 1191737515 /nfs/dbraw/zinc/73/75/15/1191737515.db2.gz TWRMHYPYDLGAQJ-OAHLLOKOSA-N 1 2 341.455 2.233 10 30 EEEELO C=CC(C)(C)C(=O)NC[C@H](C)[N@H+](C)Cc1nc2ccccc2c(=O)[nH]1 ZINC001485338466 1191752807 /nfs/dbraw/zinc/75/28/07/1191752807.db2.gz LJNQNNVJLOKUDA-ZDUSSCGKSA-N 1 2 342.443 2.484 10 30 EEEELO C=CC(C)(C)C(=O)NC[C@H](C)[N@@H+](C)Cc1nc2ccccc2c(=O)[nH]1 ZINC001485338466 1191752808 /nfs/dbraw/zinc/75/28/08/1191752808.db2.gz LJNQNNVJLOKUDA-ZDUSSCGKSA-N 1 2 342.443 2.484 10 30 EEEELO C=C(C)C[NH+]1CC(CCO)(NC(=O)Cc2cccc(OC(C)C)c2)C1 ZINC001485425521 1191779234 /nfs/dbraw/zinc/77/92/34/1191779234.db2.gz IUPAAHQQXNUIQP-UHFFFAOYSA-N 1 2 346.471 2.145 10 30 EEEELO C=C[C@@H](CC)CC(=O)NC[C@H]1CCCCC[N@@H+]1Cc1ncnn1C ZINC001485483171 1191799688 /nfs/dbraw/zinc/79/96/88/1191799688.db2.gz WCWQCDRKQDOFAA-JKSUJKDBSA-N 1 2 333.480 2.278 10 30 EEEELO C=C[C@@H](CC)CC(=O)NC[C@H]1CCCCC[N@H+]1Cc1ncnn1C ZINC001485483171 1191799691 /nfs/dbraw/zinc/79/96/91/1191799691.db2.gz WCWQCDRKQDOFAA-JKSUJKDBSA-N 1 2 333.480 2.278 10 30 EEEELO CCO[C@H](C)C(=O)N[C@H](C)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001485489015 1191810518 /nfs/dbraw/zinc/81/05/18/1191810518.db2.gz ASWPQKZZZKUXDT-CHWSQXEVSA-N 1 2 333.407 2.059 10 30 EEEELO C=CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)c2occc2C(C)C)[C@@H]1C ZINC001486180968 1193718016 /nfs/dbraw/zinc/71/80/16/1193718016.db2.gz QXAPTTYKTSFSEB-HOCLYGCPSA-N 1 2 347.459 2.288 10 30 EEEELO C=CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)c2occc2C(C)C)[C@@H]1C ZINC001486180968 1193718019 /nfs/dbraw/zinc/71/80/19/1193718019.db2.gz QXAPTTYKTSFSEB-HOCLYGCPSA-N 1 2 347.459 2.288 10 30 EEEELO CC(C)N(CC[N@H+](C)Cc1ccccc1C#N)C(=O)c1cc[nH]n1 ZINC001486362816 1193859528 /nfs/dbraw/zinc/85/95/28/1193859528.db2.gz KKUJHLOECZISNV-UHFFFAOYSA-N 1 2 325.416 2.264 10 30 EEEELO CC(C)N(CC[N@@H+](C)Cc1ccccc1C#N)C(=O)c1cc[nH]n1 ZINC001486362816 1193859535 /nfs/dbraw/zinc/85/95/35/1193859535.db2.gz KKUJHLOECZISNV-UHFFFAOYSA-N 1 2 325.416 2.264 10 30 EEEELO CC(C)N(CC[N@H+](C)Cc1ccccc1C#N)C(=O)c1ccn[nH]1 ZINC001486362816 1193859538 /nfs/dbraw/zinc/85/95/38/1193859538.db2.gz KKUJHLOECZISNV-UHFFFAOYSA-N 1 2 325.416 2.264 10 30 EEEELO CC(C)N(CC[N@@H+](C)Cc1ccccc1C#N)C(=O)c1ccn[nH]1 ZINC001486362816 1193859545 /nfs/dbraw/zinc/85/95/45/1193859545.db2.gz KKUJHLOECZISNV-UHFFFAOYSA-N 1 2 325.416 2.264 10 30 EEEELO C=C(Cl)C[N@H+]1CC=C(CNC(=O)CNC(=O)CCC(C)C)CC1 ZINC001486517815 1194023773 /nfs/dbraw/zinc/02/37/73/1194023773.db2.gz UUDXKAGHYXJHPX-UHFFFAOYSA-N 1 2 341.883 2.040 10 30 EEEELO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)CNC(=O)CCC(C)C)CC1 ZINC001486517815 1194023775 /nfs/dbraw/zinc/02/37/75/1194023775.db2.gz UUDXKAGHYXJHPX-UHFFFAOYSA-N 1 2 341.883 2.040 10 30 EEEELO C=CCCCC(=O)N1CCC[C@@H]1CN(C)C(=O)CCc1c[nH+]cn1C ZINC001486568072 1194082132 /nfs/dbraw/zinc/08/21/32/1194082132.db2.gz BBWMSRNKTPMPIC-QGZVFWFLSA-N 1 2 346.475 2.158 10 30 EEEELO COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)C1(c2ccccc2F)CC1 ZINC001691670571 1194353025 /nfs/dbraw/zinc/35/30/25/1194353025.db2.gz QDZRWGKAHAOUHS-INIZCTEOSA-N 1 2 344.430 2.040 10 30 EEEELO COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)C1(c2ccccc2F)CC1 ZINC001691670571 1194353027 /nfs/dbraw/zinc/35/30/27/1194353027.db2.gz QDZRWGKAHAOUHS-INIZCTEOSA-N 1 2 344.430 2.040 10 30 EEEELO C=CCO[C@H](C)C(=O)N(C)[C@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001486952471 1197107290 /nfs/dbraw/zinc/10/72/90/1197107290.db2.gz JOJVETYKTIHWFC-GDBMZVCRSA-N 1 2 347.459 2.175 10 30 EEEELO C=CCC1(C(=O)N(C)C[C@H]2CC[N@H+]2[C@H]2CCN(CC)C2=O)CCCC1 ZINC001691681385 1197486507 /nfs/dbraw/zinc/48/65/07/1197486507.db2.gz BQNRWWMDYZVZRB-SJORKVTESA-N 1 2 347.503 2.276 10 30 EEEELO C=CCC1(C(=O)N(C)C[C@H]2CC[N@@H+]2[C@H]2CCN(CC)C2=O)CCCC1 ZINC001691681385 1197486508 /nfs/dbraw/zinc/48/65/08/1197486508.db2.gz BQNRWWMDYZVZRB-SJORKVTESA-N 1 2 347.503 2.276 10 30 EEEELO C=C(C)CCC(=O)N[C@@H]1CCC[N@@H+](Cc2nc(COC)no2)CC1 ZINC001273417426 1198738340 /nfs/dbraw/zinc/73/83/40/1198738340.db2.gz GYSSMDAXARKBRC-CQSZACIVSA-N 1 2 336.436 2.043 10 30 EEEELO C=C(C)CCC(=O)N[C@@H]1CCC[N@H+](Cc2nc(COC)no2)CC1 ZINC001273417426 1198738346 /nfs/dbraw/zinc/73/83/46/1198738346.db2.gz GYSSMDAXARKBRC-CQSZACIVSA-N 1 2 336.436 2.043 10 30 EEEELO C=C(Cl)C[N@@H+](C)CCN(C(=O)c1c2c(nn1C)CCC2)C(C)C ZINC001411193353 1198887701 /nfs/dbraw/zinc/88/77/01/1198887701.db2.gz BFOSQNQPQWTCBG-UHFFFAOYSA-N 1 2 338.883 2.444 10 30 EEEELO C=C(Cl)C[N@H+](C)CCN(C(=O)c1c2c(nn1C)CCC2)C(C)C ZINC001411193353 1198887703 /nfs/dbraw/zinc/88/77/03/1198887703.db2.gz BFOSQNQPQWTCBG-UHFFFAOYSA-N 1 2 338.883 2.444 10 30 EEEELO Cn1ccnc1[C@@H](O)C1CC[NH+](Cc2cccc(F)c2C#N)CC1 ZINC000813335968 1198967648 /nfs/dbraw/zinc/96/76/48/1198967648.db2.gz KFPXFZPDNOIQHS-KRWDZBQOSA-N 1 2 328.391 2.376 10 30 EEEELO C[C@H]([NH2+]C[C@]1(N2CCOCC2)CCSC1)c1cccc(C#N)c1O ZINC000866242246 1201474898 /nfs/dbraw/zinc/47/48/98/1201474898.db2.gz MBGNPKYYQZZCHY-KBXCAEBGSA-N 1 2 347.484 2.122 10 30 EEEELO C#CCC1(O)CC[NH+]([C@H](C)C(=O)Nc2ccccc2C(C)=O)CC1 ZINC000880481353 1201498848 /nfs/dbraw/zinc/49/88/48/1201498848.db2.gz IKMNJYZFODVAPJ-CQSZACIVSA-N 1 2 328.412 2.066 10 30 EEEELO C[C@@H]([NH2+]C(c1ccnn1C)c1ccnn1C)c1cccc(C#N)c1O ZINC000866399473 1201508127 /nfs/dbraw/zinc/50/81/27/1201508127.db2.gz URDCBDYRRZWURR-GFCCVEGCSA-N 1 2 336.399 2.171 10 30 EEEELO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(CCC)[C@H]1CCc2ccccc21 ZINC000884085961 1202228170 /nfs/dbraw/zinc/22/81/70/1202228170.db2.gz ITAGAMAXTLIWRB-IRXDYDNUSA-N 1 2 330.428 2.359 10 30 EEEELO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(CC)[C@H](C)c1cccc(OC)c1 ZINC000884092103 1202229882 /nfs/dbraw/zinc/22/98/82/1202229882.db2.gz SIYQEXSKUPFKGQ-CJNGLKHVSA-N 1 2 334.416 2.051 10 30 EEEELO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC(Cc2ccccc2F)CC1 ZINC000884128381 1202239107 /nfs/dbraw/zinc/23/91/07/1202239107.db2.gz BTSFQGXIYYFZTE-KRWDZBQOSA-N 1 2 348.418 2.053 10 30 EEEELO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@@H](c2ccccc2)C1(C)C ZINC000884435664 1202317247 /nfs/dbraw/zinc/31/72/47/1202317247.db2.gz FVVKSKPHOYQCPU-HOTGVXAUSA-N 1 2 330.428 2.228 10 30 EEEELO C=C(Br)C[NH+]1CCC(CO)(NC(=O)/C(C)=C\CC)CC1 ZINC001274896906 1205203186 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C=CCC[NH+]1CC(CCO)(NC(=O)c2c(F)ccc(F)c2Cl)C1 ZINC001276088583 1205770757 /nfs/dbraw/zinc/77/07/57/1205770757.db2.gz NGYIWNFCWYAYBX-UHFFFAOYSA-N 1 2 344.789 2.361 10 30 EEEELO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H](C)OCCC(C)C)O2 ZINC001273675202 1283005373 /nfs/dbraw/zinc/00/53/73/1283005373.db2.gz FJDLKJANJXTBLI-DLBZAZTESA-N 1 2 338.492 2.363 10 30 EEEELO C=CCCCC(=O)N(C)C1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001487564939 1286079959 /nfs/dbraw/zinc/07/99/59/1286079959.db2.gz JGITVYKJLBRRES-UHFFFAOYSA-N 1 2 346.475 2.493 10 30 EEEELO C=CC(C)(C)CC(=O)N[C@H](C)CN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001487778942 1286437647 /nfs/dbraw/zinc/43/76/47/1286437647.db2.gz GYDMPRCMXBROIF-CABCVRRESA-N 1 2 334.464 2.400 10 30 EEEELO C=CCCC(=O)N(CCN(C)C(=O)[C@H]1CCc2c[nH+]cn2C1)C(C)C ZINC001488446755 1290016355 /nfs/dbraw/zinc/01/63/55/1290016355.db2.gz JAOQWFUGZXKPQO-INIZCTEOSA-N 1 2 346.475 2.107 10 30 EEEELO COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc2c(c1)CCC=C2 ZINC001488684333 1290129147 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1332442550 /nfs/dbraw/zinc/44/25/50/1332442550.db2.gz FJVMYOGFMLRLNJ-MRXNPFEDSA-N 1 2 347.459 2.207 10 30 EEEELO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@@H](NC(=O)c2ccc(C)o2)C1 ZINC001317918345 1332442556 /nfs/dbraw/zinc/44/25/56/1332442556.db2.gz FJVMYOGFMLRLNJ-MRXNPFEDSA-N 1 2 347.459 2.207 10 30 EEEELO C=C(C)C(C)(C)C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(OC)nn2)C1 ZINC001317979290 1332456273 /nfs/dbraw/zinc/45/62/73/1332456273.db2.gz DPSBZLCTPXBDRT-AWEZNQCLSA-N 1 2 332.448 2.168 10 30 EEEELO C=C(C)C(C)(C)C(=O)N[C@H]1CCC[N@H+](Cc2ccc(OC)nn2)C1 ZINC001317979290 1332456275 /nfs/dbraw/zinc/45/62/75/1332456275.db2.gz DPSBZLCTPXBDRT-AWEZNQCLSA-N 1 2 332.448 2.168 10 30 EEEELO C=CCC1(C(=O)N(C)[C@H]2CC[N@@H+](Cc3cnnn3CC)C2)CCC1 ZINC001318428577 1332532554 /nfs/dbraw/zinc/53/25/54/1332532554.db2.gz KITYXZVITLIHFS-HNNXBMFYSA-N 1 2 331.464 2.077 10 30 EEEELO C=CCC1(C(=O)N(C)[C@H]2CC[N@H+](Cc3cnnn3CC)C2)CCC1 ZINC001318428577 1332532558 /nfs/dbraw/zinc/53/25/58/1332532558.db2.gz KITYXZVITLIHFS-HNNXBMFYSA-N 1 2 331.464 2.077 10 30 EEEELO CCc1nc(C[NH2+]CC[C@@H]2CCCCN2C(=O)C#CC(C)C)no1 ZINC001319748863 1332757397 /nfs/dbraw/zinc/75/73/97/1332757397.db2.gz AGIGAAUYTXFWNO-HNNXBMFYSA-N 1 2 332.448 2.152 10 30 EEEELO CC(C)C#CC(=O)N(C)CC[N@H+](C)[C@H](C)C(=O)N(C)c1ccccc1 ZINC001319996307 1332808536 /nfs/dbraw/zinc/80/85/36/1332808536.db2.gz YSUZGJJZXKSJBB-QGZVFWFLSA-N 1 2 343.471 2.088 10 30 EEEELO CC(C)C#CC(=O)N(C)CC[N@@H+](C)[C@H](C)C(=O)N(C)c1ccccc1 ZINC001319996307 1332808538 /nfs/dbraw/zinc/80/85/38/1332808538.db2.gz YSUZGJJZXKSJBB-QGZVFWFLSA-N 1 2 343.471 2.088 10 30 EEEELO C=CCO[C@H]1CC[N@@H+](CC(=O)c2c(C)[nH]c(C(=O)OCC)c2C)C1 ZINC001320039462 1332814954 /nfs/dbraw/zinc/81/49/54/1332814954.db2.gz LSJTYLFWNKNGQQ-AWEZNQCLSA-N 1 2 334.416 2.268 10 30 EEEELO C=CCO[C@H]1CC[N@H+](CC(=O)c2c(C)[nH]c(C(=O)OCC)c2C)C1 ZINC001320039462 1332814957 /nfs/dbraw/zinc/81/49/57/1332814957.db2.gz LSJTYLFWNKNGQQ-AWEZNQCLSA-N 1 2 334.416 2.268 10 30 EEEELO C=CCNC(=O)C[N@@H+](C)CCN(C)C(=O)c1cccc(C(C)C)c1 ZINC001320068053 1332818769 /nfs/dbraw/zinc/81/87/69/1332818769.db2.gz FSXNFXDZVCLBHI-UHFFFAOYSA-N 1 2 331.460 2.116 10 30 EEEELO C=CCNC(=O)C[N@H+](C)CCN(C)C(=O)c1cccc(C(C)C)c1 ZINC001320068053 1332818771 /nfs/dbraw/zinc/81/87/71/1332818771.db2.gz FSXNFXDZVCLBHI-UHFFFAOYSA-N 1 2 331.460 2.116 10 30 EEEELO CN(C(=O)c1cc(C#N)c[nH]1)C1C[NH+](CCCOc2ccccc2)C1 ZINC001323909780 1333570745 /nfs/dbraw/zinc/57/07/45/1333570745.db2.gz VATWKOSETGWKLC-UHFFFAOYSA-N 1 2 338.411 2.112 10 30 EEEELO C=C(C)CCC(=O)N1CCC[C@@H]1C[NH2+]Cc1nc([C@H](C)OC)no1 ZINC001324168022 1333626515 /nfs/dbraw/zinc/62/65/15/1333626515.db2.gz PMOYYBNPQSGSMM-UONOGXRCSA-N 1 2 336.436 2.214 10 30 EEEELO C=CCC1(C(=O)N2CCC[C@H]2C[NH2+]Cc2nc(CC)no2)CCC1 ZINC001324227046 1333639110 /nfs/dbraw/zinc/63/91/10/1333639110.db2.gz YUFYGTMXSXGKFB-AWEZNQCLSA-N 1 2 332.448 2.459 10 30 EEEELO C#CCN(C(=O)CCc1ccco1)C1CC[NH+](Cc2ccon2)CC1 ZINC001324362286 1333665763 /nfs/dbraw/zinc/66/57/63/1333665763.db2.gz MQGRAYJIVAJVIM-UHFFFAOYSA-N 1 2 341.411 2.327 10 30 EEEELO C#CCN(C(=O)/C(C)=C\CC)C1CC[NH+](Cc2cn(CC)nn2)CC1 ZINC001324375083 1333668291 /nfs/dbraw/zinc/66/82/91/1333668291.db2.gz YSCRFTAQYURXLQ-PXNMLYILSA-N 1 2 343.475 2.081 10 30 EEEELO C#CCN(C(=O)[C@H]1C[C@@H]1C)C1CC[NH+]([C@H](C)c2nnc(C)s2)CC1 ZINC001324412462 1333677808 /nfs/dbraw/zinc/67/78/08/1333677808.db2.gz BCEJWAHDRBQIIX-ZENOOKHLSA-N 1 2 346.500 2.490 10 30 EEEELO C=C(C)C[NH+]1CC(O)(CNC(=O)c2ccc(O[C@H](C)CC)cc2)C1 ZINC001325296953 1333860014 /nfs/dbraw/zinc/86/00/14/1333860014.db2.gz CTYJKAKNSBMXNP-OAHLLOKOSA-N 1 2 332.444 2.217 10 30 EEEELO C#CC[N@H+]1CCC[C@](CO)(NC(=O)c2oc3ccc(F)cc3c2C)C1 ZINC001325835557 1333971418 /nfs/dbraw/zinc/97/14/18/1333971418.db2.gz NVJAWFYORPPWJE-IBGZPJMESA-N 1 2 344.386 2.070 10 30 EEEELO C#CC[N@@H+]1CCC[C@](CO)(NC(=O)c2oc3ccc(F)cc3c2C)C1 ZINC001325835557 1333971423 /nfs/dbraw/zinc/97/14/23/1333971423.db2.gz NVJAWFYORPPWJE-IBGZPJMESA-N 1 2 344.386 2.070 10 30 EEEELO Cc1nc(C[N@@H+]2CC[C@H]3[C@H]2CCCN3C(=O)CSCC#N)oc1C ZINC001325875615 1333982034 /nfs/dbraw/zinc/98/20/34/1333982034.db2.gz NVJODHUGGCODSI-CABCVRRESA-N 1 2 348.472 2.114 10 30 EEEELO Cc1nc(C[N@H+]2CC[C@H]3[C@H]2CCCN3C(=O)CSCC#N)oc1C ZINC001325875615 1333982036 /nfs/dbraw/zinc/98/20/36/1333982036.db2.gz NVJODHUGGCODSI-CABCVRRESA-N 1 2 348.472 2.114 10 30 EEEELO C#CCCCC(=O)N1CC[C@H](CC[NH2+]Cc2noc(C3CCC3)n2)C1 ZINC001326241704 1334050810 /nfs/dbraw/zinc/05/08/10/1334050810.db2.gz AVZCPSMHYYPYIL-HNNXBMFYSA-N 1 2 344.459 2.469 10 30 EEEELO CC#CCCCC(=O)N1CC2(C1)CC[NH+](Cc1nnc(C)s1)CC2 ZINC001326591845 1334121562 /nfs/dbraw/zinc/12/15/62/1334121562.db2.gz QFOXQAXJJDLVST-UHFFFAOYSA-N 1 2 346.500 2.465 10 30 EEEELO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H](C)Cc1ccccc1F ZINC001326653989 1334134264 /nfs/dbraw/zinc/13/42/64/1334134264.db2.gz GESGWOZSYYNZHH-DOTOQJQBSA-N 1 2 334.435 2.397 10 30 EEEELO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H](C)Cc1ccccc1F ZINC001326653989 1334134265 /nfs/dbraw/zinc/13/42/65/1334134265.db2.gz GESGWOZSYYNZHH-DOTOQJQBSA-N 1 2 334.435 2.397 10 30 EEEELO C=C1CCC(C(=O)N2CCC[C@](CO)([NH2+]Cc3cc(C)on3)C2)CC1 ZINC001327589581 1334318880 /nfs/dbraw/zinc/31/88/80/1334318880.db2.gz AGUVGVFJYKEEML-IBGZPJMESA-N 1 2 347.459 2.173 10 30 EEEELO Cc1ccc(NC(=O)C[N@@H+](C)[C@H](C)CNC(=O)C#CC2CC2)cc1C ZINC001329431779 1334649648 /nfs/dbraw/zinc/64/96/48/1334649648.db2.gz OOLZXBLLHSNPJX-MRXNPFEDSA-N 1 2 341.455 2.092 10 30 EEEELO Cc1ccc(NC(=O)C[N@H+](C)[C@H](C)CNC(=O)C#CC2CC2)cc1C ZINC001329431779 1334649654 /nfs/dbraw/zinc/64/96/54/1334649654.db2.gz OOLZXBLLHSNPJX-MRXNPFEDSA-N 1 2 341.455 2.092 10 30 EEEELO C=CC(C)(C)C(=O)NC[C@@H](C)[N@H+](C)[C@@H](C(N)=O)c1ccc(F)cc1 ZINC001329525348 1334668221 /nfs/dbraw/zinc/66/82/21/1334668221.db2.gz VYZNTTIIZGEXHZ-IUODEOHRSA-N 1 2 335.423 2.001 10 30 EEEELO C=CC(C)(C)C(=O)NC[C@@H](C)[N@@H+](C)[C@@H](C(N)=O)c1ccc(F)cc1 ZINC001329525348 1334668227 /nfs/dbraw/zinc/66/82/27/1334668227.db2.gz VYZNTTIIZGEXHZ-IUODEOHRSA-N 1 2 335.423 2.001 10 30 EEEELO C=CC[NH2+]CCCOC1CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC001329779320 1334713354 /nfs/dbraw/zinc/71/33/54/1334713354.db2.gz PFADIBRVRLONLS-GFCCVEGCSA-N 1 2 326.334 2.060 10 30 EEEELO C=CC[NH2+]CCCOC1CCN(C(=O)[C@@H](F)C(F)(F)F)CC1 ZINC001329779320 1334713357 /nfs/dbraw/zinc/71/33/57/1334713357.db2.gz PFADIBRVRLONLS-GFCCVEGCSA-N 1 2 326.334 2.060 10 30 EEEELO C=CC[C@@H]1CCN(C(=O)C(=O)N(C)CCCc2[nH+]ccn2CCC)C1 ZINC001329874383 1334730802 /nfs/dbraw/zinc/73/08/02/1334730802.db2.gz UTVRDUHMONHAIT-MRXNPFEDSA-N 1 2 346.475 2.109 10 30 EEEELO C#CC[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)C1 ZINC001330152962 1334787152 /nfs/dbraw/zinc/78/71/52/1334787152.db2.gz ZXZISVGVWAGYEP-OAHLLOKOSA-N 1 2 336.395 2.073 10 30 EEEELO C=CCCOCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2ncc(C)o2)CC1(C)C ZINC001330261122 1334814353 /nfs/dbraw/zinc/81/43/53/1334814353.db2.gz GBCKQKBWBNREOA-LSDHHAIUSA-N 1 2 335.448 2.463 10 30 EEEELO C=CCCOCC(=O)N[C@@H]1C[N@H+]([C@@H](C)c2ncc(C)o2)CC1(C)C ZINC001330261122 1334814355 /nfs/dbraw/zinc/81/43/55/1334814355.db2.gz GBCKQKBWBNREOA-LSDHHAIUSA-N 1 2 335.448 2.463 10 30 EEEELO C=C1CCC(CNC(=O)C(=O)NCc2[nH+]cc(C)c(OC)c2C)CC1 ZINC001332803040 1335909659 /nfs/dbraw/zinc/90/96/59/1335909659.db2.gz KTJWYGZDSBIJRW-UHFFFAOYSA-N 1 2 345.443 2.186 10 30 EEEELO C=C[C@H](CC)CC(=O)NC[C@@H]1CCCCCN1C(=O)Cn1cc[nH+]c1 ZINC001334906602 1336311684 /nfs/dbraw/zinc/31/16/84/1336311684.db2.gz GTXHUCPZJMZSPI-SJORKVTESA-N 1 2 346.475 2.373 10 30 EEEELO C=CCn1c(N2CCC[C@H](C(C)C)C2)nnc1[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001339194521 1336973648 /nfs/dbraw/zinc/97/36/48/1336973648.db2.gz CWTYRJNXPJEDPE-FRQCXROJSA-N 1 2 347.507 2.248 10 30 EEEELO C=CCn1c(N2CCC[C@H](C(C)C)C2)nnc1[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC001339194521 1336973649 /nfs/dbraw/zinc/97/36/49/1336973649.db2.gz CWTYRJNXPJEDPE-FRQCXROJSA-N 1 2 347.507 2.248 10 30 EEEELO C=CCn1c([C@@H]2C[C@H]2C#N)nnc1N1CCc2cc[nH+]c(N(C)C)c2C1 ZINC001339729547 1337062318 /nfs/dbraw/zinc/06/23/18/1337062318.db2.gz WZRNYNAUWKWOHK-LSDHHAIUSA-N 1 2 349.442 2.115 10 30 EEEELO C=C(C)CCC(=O)N1CC[C@@H]2[C@H](CCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001353694224 1338322696 /nfs/dbraw/zinc/32/26/96/1338322696.db2.gz LCWPRBJVJLOGFY-NVXWUHKLSA-N 1 2 344.459 2.148 10 30 EEEELO C=CC(C)(C)CC(=O)NC[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001353873262 1338357105 /nfs/dbraw/zinc/35/71/05/1338357105.db2.gz CBEDCGQDSQVMCP-INIZCTEOSA-N 1 2 346.475 2.230 10 30 EEEELO C=C[C@@](C)(CC)C(=O)N1CCC[C@@H](N(C)C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001355041921 1338684613 /nfs/dbraw/zinc/68/46/13/1338684613.db2.gz FENJTDYNDGLDCE-BEFAXECRSA-N 1 2 346.475 2.394 10 30 EEEELO C#CCN(C(=O)CCC(C)C)C1CC[NH+](Cc2cnns2)CC1 ZINC001569581793 1342901127 /nfs/dbraw/zinc/90/11/27/1342901127.db2.gz KTXBIFVZRHPOGC-UHFFFAOYSA-N 1 2 334.489 2.401 10 30 EEEELO C=CCCCC(=O)N1CCC[C@H]2C[N@@H+]([C@H](C)c3nncn3C)C[C@H]21 ZINC001569920602 1342978023 /nfs/dbraw/zinc/97/80/23/1342978023.db2.gz WANRTYBBGISNID-OWCLPIDISA-N 1 2 331.464 2.155 10 30 EEEELO C=CCCCC(=O)N1CCC[C@H]2C[N@H+]([C@H](C)c3nncn3C)C[C@H]21 ZINC001569920602 1342978026 /nfs/dbraw/zinc/97/80/26/1342978026.db2.gz WANRTYBBGISNID-OWCLPIDISA-N 1 2 331.464 2.155 10 30 EEEELO C=C(C)CCC(=O)N(C)C[C@@H](O)C[N@H+](C)Cc1noc2c1CCCC2 ZINC001571602792 1343246582 /nfs/dbraw/zinc/24/65/82/1343246582.db2.gz NJDFEMPJUYKFHR-HNNXBMFYSA-N 1 2 349.475 2.161 10 30 EEEELO C=C(C)CCC(=O)N(C)C[C@@H](O)C[N@@H+](C)Cc1noc2c1CCCC2 ZINC001571602792 1343246589 /nfs/dbraw/zinc/24/65/89/1343246589.db2.gz NJDFEMPJUYKFHR-HNNXBMFYSA-N 1 2 349.475 2.161 10 30 EEEELO C=CC(C)(C)C(=O)N[C@@H](C)[C@@H](C)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001571776474 1343303884 /nfs/dbraw/zinc/30/38/84/1343303884.db2.gz LUQMRKVVPOGJDT-UONOGXRCSA-N 1 2 334.464 2.148 10 30 EEEELO CC#CCCCC(=O)N(C)[C@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001571845770 1343319731 /nfs/dbraw/zinc/31/97/31/1343319731.db2.gz OTGJZEROWFMJIE-CQSZACIVSA-N 1 2 340.427 2.333 10 30 EEEELO C=C(C)CCC(=O)N[C@H]1CC[C@H](CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001572457297 1343497158 /nfs/dbraw/zinc/49/71/58/1343497158.db2.gz VPTCUQLBEAQTJS-GJZGRUSLSA-N 1 2 332.448 2.100 10 30 EEEELO C=C(C)CCC(=O)NC1CC(N(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001572562064 1343517844 /nfs/dbraw/zinc/51/78/44/1343517844.db2.gz BWJZLGZECVIKNF-UHFFFAOYSA-N 1 2 332.448 2.149 10 30 EEEELO C=CC(C)(C)C(=O)N[C@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)[C@@H]1C ZINC001573565916 1343643962 /nfs/dbraw/zinc/64/39/62/1343643962.db2.gz JGPQYBMLSYOQTC-MCIONIFRSA-N 1 2 344.459 2.147 10 30 EEEELO C=C(C)CCC(=O)N1CC[C@H](N(C)C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001576298314 1343994313 /nfs/dbraw/zinc/99/43/13/1343994313.db2.gz LGLZATLDBITYMV-INIZCTEOSA-N 1 2 346.475 2.342 10 30 EEEELO C=CC(C)(C)C(=O)NCCC[NH+]1CCN(C(=O)C(F)=C(C)C)CC1 ZINC001577837513 1344204125 /nfs/dbraw/zinc/20/41/25/1344204125.db2.gz RQIGEIDCYDLUDX-UHFFFAOYSA-N 1 2 339.455 2.113 10 30 EEEELO C=CCCCC(=O)N1CCC[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC[C@@H]21 ZINC001578748888 1344299994 /nfs/dbraw/zinc/29/99/94/1344299994.db2.gz PSMJHPCTNPGQGM-RDJZCZTQSA-N 1 2 344.459 2.148 10 30 EEEELO C=C[C@@H](CC)CC(=O)NCCN(CC)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001581164305 1344594139 /nfs/dbraw/zinc/59/41/39/1344594139.db2.gz KIRQDLBLLOMRGT-JKSUJKDBSA-N 1 2 346.475 2.013 10 30 EEEELO C=CC(C)(C)C(=O)NCC[C@@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001582878939 1344817146 /nfs/dbraw/zinc/81/71/46/1344817146.db2.gz BWAZZOPOFSKGNR-INIZCTEOSA-N 1 2 346.475 2.442 10 30 EEEELO C=CC(C)(C)C(=O)NCC[C@@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001582878939 1344817150 /nfs/dbraw/zinc/81/71/50/1344817150.db2.gz BWAZZOPOFSKGNR-INIZCTEOSA-N 1 2 346.475 2.442 10 30 EEEELO C=C(Br)C[N@@H+](C)C[C@H](O)CN(C)C(=O)CC(C)=C(C)C ZINC001677164730 1357287684 /nfs/dbraw/zinc/28/76/84/1357287684.db2.gz KPUGMIVDBOVXCX-AWEZNQCLSA-N 1 2 347.297 2.393 10 30 EEEELO C=C(Br)C[N@H+](C)C[C@H](O)CN(C)C(=O)CC(C)=C(C)C ZINC001677164730 1357287687 /nfs/dbraw/zinc/28/76/87/1357287687.db2.gz KPUGMIVDBOVXCX-AWEZNQCLSA-N 1 2 347.297 2.393 10 30 EEEELO C#CC[NH+]1CCN(c2nnc(CCc3ccccc3)n2CCC)CC1 ZINC001588856729 1348939323 /nfs/dbraw/zinc/93/93/23/1348939323.db2.gz AYVPILPFYOMXKR-UHFFFAOYSA-N 1 2 337.471 2.229 10 30 EEEELO C=C(C)C(C)(C)C(=O)N1CC2(C1)CC[N@@H+](Cc1nnc(CC)o1)C2 ZINC001678338672 1357503612 /nfs/dbraw/zinc/50/36/12/1357503612.db2.gz UIBVEUJAFCSLSF-UHFFFAOYSA-N 1 2 332.448 2.269 10 30 EEEELO C=C(C)C(C)(C)C(=O)N1CC2(C1)CC[N@H+](Cc1nnc(CC)o1)C2 ZINC001678338672 1357503615 /nfs/dbraw/zinc/50/36/15/1357503615.db2.gz UIBVEUJAFCSLSF-UHFFFAOYSA-N 1 2 332.448 2.269 10 30 EEEELO C=C(C)CONC(=O)CC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC001628318558 1352530297 /nfs/dbraw/zinc/53/02/97/1352530297.db2.gz RDDSVGVTAQNGCR-UHFFFAOYSA-N 1 2 337.851 2.476 10 30 EEEELO C=CCCCC(=O)NCCC[NH+]1CCN(C(=O)c2occc2C)CC1 ZINC001649508856 1353541116 /nfs/dbraw/zinc/54/11/16/1353541116.db2.gz QCAZYVVKLGGTOL-UHFFFAOYSA-N 1 2 347.459 2.208 10 30 EEEELO C=CCCCC(=O)NCCC[NH+]1CCN(C(=O)C(F)=C(C)C)CC1 ZINC001649509044 1353541196 /nfs/dbraw/zinc/54/11/96/1353541196.db2.gz UGFDSRFCZNQUPC-UHFFFAOYSA-N 1 2 339.455 2.257 10 30 EEEELO C=CCCC(=O)NCC1(NC(=O)C(C)(C)n2c[nH+]c(C)c2)CCCC1 ZINC001649517044 1353545213 /nfs/dbraw/zinc/54/52/13/1353545213.db2.gz RMKLXVXRWQHKAG-UHFFFAOYSA-N 1 2 346.475 2.438 10 30 EEEELO C=CCCCC(=O)N(C)C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001679555060 1357722764 /nfs/dbraw/zinc/72/27/64/1357722764.db2.gz OTZTXLZUJYLWSM-UHFFFAOYSA-N 1 2 332.448 2.079 10 30 EEEELO C=CCCC[N@H+]1CCOC[C@H]1CNC(=O)c1c(C)ccnc1OCC ZINC001673054263 1354045558 /nfs/dbraw/zinc/04/55/58/1354045558.db2.gz CIKLFEWIWKLHND-MRXNPFEDSA-N 1 2 347.459 2.186 10 30 EEEELO C=CCCC[N@@H+]1CCOC[C@H]1CNC(=O)c1c(C)ccnc1OCC ZINC001673054263 1354045562 /nfs/dbraw/zinc/04/55/62/1354045562.db2.gz CIKLFEWIWKLHND-MRXNPFEDSA-N 1 2 347.459 2.186 10 30 EEEELO C#Cc1ccc(NC(=O)CC[N@H+]2CCN(CC(C)C)C(=O)[C@H]2C)cc1 ZINC001654241898 1354144567 /nfs/dbraw/zinc/14/45/67/1354144567.db2.gz JEQHURMBXLLUDG-MRXNPFEDSA-N 1 2 341.455 2.185 10 30 EEEELO C#Cc1ccc(NC(=O)CC[N@@H+]2CCN(CC(C)C)C(=O)[C@H]2C)cc1 ZINC001654241898 1354144568 /nfs/dbraw/zinc/14/45/68/1354144568.db2.gz JEQHURMBXLLUDG-MRXNPFEDSA-N 1 2 341.455 2.185 10 30 EEEELO CC#CCCCC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@H](C)C(=O)NC1CCCC1 ZINC001656084966 1354197893 /nfs/dbraw/zinc/19/78/93/1354197893.db2.gz PBHYXUNMKZYLQG-AEFFLSMTSA-N 1 2 347.503 2.160 10 30 EEEELO CC#CCCCC(=O)N(C)C[C@@H]1CC[N@H+]1[C@H](C)C(=O)NC1CCCC1 ZINC001656084966 1354197894 /nfs/dbraw/zinc/19/78/94/1354197894.db2.gz PBHYXUNMKZYLQG-AEFFLSMTSA-N 1 2 347.503 2.160 10 30 EEEELO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@H+](CC(N)=O)CC[C@@H]1c1ccccc1 ZINC001656664935 1354261478 /nfs/dbraw/zinc/26/14/78/1354261478.db2.gz JECWGLYXIGZNCB-MBOZVWFJSA-N 1 2 343.471 2.048 10 30 EEEELO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@@H+](CC(N)=O)CC[C@@H]1c1ccccc1 ZINC001656664935 1354261483 /nfs/dbraw/zinc/26/14/83/1354261483.db2.gz JECWGLYXIGZNCB-MBOZVWFJSA-N 1 2 343.471 2.048 10 30 EEEELO CC[C@@H]1[C@@H](NC(=O)C#CC(C)(C)C)CC[N@@H+]1Cc1nn(CC)nc1C ZINC001656708268 1354267257 /nfs/dbraw/zinc/26/72/57/1354267257.db2.gz XRTMAYWVWWSEMU-DOTOQJQBSA-N 1 2 345.491 2.125 10 30 EEEELO CC[C@@H]1[C@@H](NC(=O)C#CC(C)(C)C)CC[N@H+]1Cc1nn(CC)nc1C ZINC001656708268 1354267260 /nfs/dbraw/zinc/26/72/60/1354267260.db2.gz XRTMAYWVWWSEMU-DOTOQJQBSA-N 1 2 345.491 2.125 10 30 EEEELO Cc1nc(C[NH+]2CCC(N(C)C(=O)CSCC#N)CC2)cs1 ZINC001660760659 1354534120 /nfs/dbraw/zinc/53/41/20/1354534120.db2.gz AJFYZOTXJQSBEJ-UHFFFAOYSA-N 1 2 338.502 2.131 10 30 EEEELO C#CCCCC(=O)NCC[NH+]1CCN(Cc2ccccc2Cl)CC1 ZINC001660922081 1354561709 /nfs/dbraw/zinc/56/17/09/1354561709.db2.gz YCWSQABJAGONHM-UHFFFAOYSA-N 1 2 347.890 2.377 10 30 EEEELO C#CCCCC(=O)NCCN1CC[NH+](Cc2ccccc2Cl)CC1 ZINC001660922081 1354561713 /nfs/dbraw/zinc/56/17/13/1354561713.db2.gz YCWSQABJAGONHM-UHFFFAOYSA-N 1 2 347.890 2.377 10 30 EEEELO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCCOc1ccc(F)cc1 ZINC001661262357 1354619863 /nfs/dbraw/zinc/61/98/63/1354619863.db2.gz POUBFULGUOZQGD-CALCHBBNSA-N 1 2 330.403 2.293 10 30 EEEELO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCCOc1ccc(F)cc1 ZINC001661262357 1354619867 /nfs/dbraw/zinc/61/98/67/1354619867.db2.gz POUBFULGUOZQGD-CALCHBBNSA-N 1 2 330.403 2.293 10 30 EEEELO C=C1CC(C)(C(=O)NC[C@H]2CCCC[N@H+]2Cc2ccnc(OC)n2)C1 ZINC001661880057 1354717501 /nfs/dbraw/zinc/71/75/01/1354717501.db2.gz FDFIRIKQAJURFO-MRXNPFEDSA-N 1 2 344.459 2.312 10 30 EEEELO C=C1CC(C)(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccnc(OC)n2)C1 ZINC001661880057 1354717505 /nfs/dbraw/zinc/71/75/05/1354717505.db2.gz FDFIRIKQAJURFO-MRXNPFEDSA-N 1 2 344.459 2.312 10 30 EEEELO C=CCCCC(=O)NC[C@@H]1CC[N@@H+](Cc2nnc(C(C)(C)C)[nH]2)C1 ZINC001663611828 1354999774 /nfs/dbraw/zinc/99/97/74/1354999774.db2.gz BTZDKGNBGYHYRX-AWEZNQCLSA-N 1 2 333.480 2.397 10 30 EEEELO C=CCCCC(=O)NC[C@@H]1CC[N@H+](Cc2nnc(C(C)(C)C)[nH]2)C1 ZINC001663611828 1354999778 /nfs/dbraw/zinc/99/97/78/1354999778.db2.gz BTZDKGNBGYHYRX-AWEZNQCLSA-N 1 2 333.480 2.397 10 30 EEEELO C=CCCc1ccc(S(=O)(=O)NCc2coc(C[NH+](C)C)n2)cc1 ZINC001664454485 1355168983 /nfs/dbraw/zinc/16/89/83/1355168983.db2.gz NMAQJWMVYFQJSA-UHFFFAOYSA-N 1 2 349.456 2.333 10 30 EEEELO C=CCC1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)CC)CCCC1 ZINC001664646735 1355203147 /nfs/dbraw/zinc/20/31/47/1355203147.db2.gz BOFNWXCVLSKCJZ-CALCHBBNSA-N 1 2 347.503 2.276 10 30 EEEELO C=CCC1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)CC)CCCC1 ZINC001664646735 1355203150 /nfs/dbraw/zinc/20/31/50/1355203150.db2.gz BOFNWXCVLSKCJZ-CALCHBBNSA-N 1 2 347.503 2.276 10 30 EEEELO C=C[C@@H](CC)CC(=O)N[C@H]1CCC[N@H+](CC(=O)NCC(C)(C)C)C1 ZINC001665068942 1355270934 /nfs/dbraw/zinc/27/09/34/1355270934.db2.gz GMIFSXVDAMNVRT-HOTGVXAUSA-N 1 2 337.508 2.332 10 30 EEEELO C=C[C@@H](CC)CC(=O)N[C@H]1CCC[N@@H+](CC(=O)NCC(C)(C)C)C1 ZINC001665068942 1355270937 /nfs/dbraw/zinc/27/09/37/1355270937.db2.gz GMIFSXVDAMNVRT-HOTGVXAUSA-N 1 2 337.508 2.332 10 30 EEEELO CC(C)COCCC(=O)NCC1C[NH+](Cc2ccccc2C#N)C1 ZINC001665253718 1355283267 /nfs/dbraw/zinc/28/32/67/1355283267.db2.gz VMYVZFPWDPSQFH-UHFFFAOYSA-N 1 2 329.444 2.169 10 30 EEEELO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CCC(C)(C)CC1 ZINC001665432572 1355309170 /nfs/dbraw/zinc/30/91/70/1355309170.db2.gz FPAPPDZACPOLPT-PVAVHDDUSA-N 1 2 347.503 2.179 10 30 EEEELO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CCC(C)(C)CC1 ZINC001665432572 1355309176 /nfs/dbraw/zinc/30/91/76/1355309176.db2.gz FPAPPDZACPOLPT-PVAVHDDUSA-N 1 2 347.503 2.179 10 30 EEEELO C#CCN(C(=O)[C@H]1CC[C@H](C)C1)C1CC[NH+](Cc2ccn(C)n2)CC1 ZINC001671497419 1356350259 /nfs/dbraw/zinc/35/02/59/1356350259.db2.gz ROPRCYXZARWURT-IRXDYDNUSA-N 1 2 342.487 2.283 10 30 EEEELO C=CCCCC(=O)N[C@]1(CO)CCC[N@H+](Cc2cncc(F)c2)C1 ZINC001672496754 1356534558 /nfs/dbraw/zinc/53/45/58/1356534558.db2.gz YKMBUZMLOHCCLS-GOSISDBHSA-N 1 2 335.423 2.020 10 30 EEEELO C=CCCCC(=O)N[C@]1(CO)CCC[N@@H+](Cc2cncc(F)c2)C1 ZINC001672496754 1356534560 /nfs/dbraw/zinc/53/45/60/1356534560.db2.gz YKMBUZMLOHCCLS-GOSISDBHSA-N 1 2 335.423 2.020 10 30 EEEELO COCC#CC[N@@H+]1Cc2ccc(CNC(=O)[C@@H](F)C(C)C)cc2C1 ZINC001673765575 1356745520 /nfs/dbraw/zinc/74/55/20/1356745520.db2.gz RQDUTKZIDSCQJW-SFHVURJKSA-N 1 2 332.419 2.262 10 30 EEEELO COCC#CC[N@H+]1Cc2ccc(CNC(=O)[C@@H](F)C(C)C)cc2C1 ZINC001673765575 1356745526 /nfs/dbraw/zinc/74/55/26/1356745526.db2.gz RQDUTKZIDSCQJW-SFHVURJKSA-N 1 2 332.419 2.262 10 30 EEEELO C=CCC(C)(C)C(=O)N[C@H]1CC[N@@H+]([C@H](C)c2nnnn2C)CC1(C)C ZINC001674028400 1356777878 /nfs/dbraw/zinc/77/78/78/1356777878.db2.gz FQLWCIICHOFOKN-KGLIPLIRSA-N 1 2 348.495 2.090 10 30 EEEELO C=CCC(C)(C)C(=O)N[C@H]1CC[N@H+]([C@H](C)c2nnnn2C)CC1(C)C ZINC001674028400 1356777879 /nfs/dbraw/zinc/77/78/79/1356777879.db2.gz FQLWCIICHOFOKN-KGLIPLIRSA-N 1 2 348.495 2.090 10 30 EEEELO C=CC(C)(C)C(=O)NC[C@H]1c2ccccc2CC[N@H+]1[C@@H](C)C(=O)NC ZINC001674272309 1356810482 /nfs/dbraw/zinc/81/04/82/1356810482.db2.gz VVVGRXQNERKSQT-YOEHRIQHSA-N 1 2 343.471 2.049 10 30 EEEELO C=CC(C)(C)C(=O)NC[C@H]1c2ccccc2CC[N@@H+]1[C@@H](C)C(=O)NC ZINC001674272309 1356810487 /nfs/dbraw/zinc/81/04/87/1356810487.db2.gz VVVGRXQNERKSQT-YOEHRIQHSA-N 1 2 343.471 2.049 10 30 EEEELO C=CCNC(=O)C[NH+]1CC([C@@H](C)NC(=O)CC2CCC(C)(C)CC2)C1 ZINC001675370024 1356971798 /nfs/dbraw/zinc/97/17/98/1356971798.db2.gz WQOIUUVCTUIXKS-OAHLLOKOSA-N 1 2 349.519 2.332 10 30 EEEELO C#CCCCCC(=O)NC[C@@H]1[C@H]2C[N@H+]([C@@H](C)c3csnn3)C[C@H]21 ZINC001675509687 1356998297 /nfs/dbraw/zinc/99/82/97/1356998297.db2.gz GHICJSZHMIPCEJ-ZQDZILKHSA-N 1 2 332.473 2.087 10 30 EEEELO C#CCCCCC(=O)NC[C@@H]1[C@H]2C[N@@H+]([C@@H](C)c3csnn3)C[C@H]21 ZINC001675509687 1356998298 /nfs/dbraw/zinc/99/82/98/1356998298.db2.gz GHICJSZHMIPCEJ-ZQDZILKHSA-N 1 2 332.473 2.087 10 30 EEEELO C=CC(C)(C)CC(=O)NC[C@@H]1[C@H]2C[N@H+]([C@H](C)c3noc(C)n3)C[C@H]21 ZINC001675522375 1357000492 /nfs/dbraw/zinc/00/04/92/1357000492.db2.gz MVDTZGCUZDQYLV-NGFQHRJXSA-N 1 2 332.448 2.335 10 30 EEEELO C=CC(C)(C)CC(=O)NC[C@@H]1[C@H]2C[N@@H+]([C@H](C)c3noc(C)n3)C[C@H]21 ZINC001675522375 1357000497 /nfs/dbraw/zinc/00/04/97/1357000497.db2.gz MVDTZGCUZDQYLV-NGFQHRJXSA-N 1 2 332.448 2.335 10 30 EEEELO C=C(C)C(C)(C)C(=O)N(C)C[C@H](C)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001680107168 1357799596 /nfs/dbraw/zinc/79/95/96/1357799596.db2.gz AMBTZQDYPNPPKY-LSDHHAIUSA-N 1 2 346.475 2.011 10 30 EEEELO C=CCC1(C(=O)N[C@H]2C[C@H](C)N(C(=O)CCn3cc[nH+]c3)C2)CCC1 ZINC001680554335 1357861321 /nfs/dbraw/zinc/86/13/21/1357861321.db2.gz XNMCKVVASSDXLS-HOTGVXAUSA-N 1 2 344.459 2.125 10 30 EEEELO C=CCCCC(=O)N1C[C@@H](NC(=O)c2cccc3[nH+]ccn32)C[C@@H]1C ZINC001680566062 1357864526 /nfs/dbraw/zinc/86/45/26/1357864526.db2.gz HOCBCFBCHZUIAO-GJZGRUSLSA-N 1 2 340.427 2.410 10 30 EEEELO C=CCC1(C(=O)N(C)C[C@@H]2CCN2C(=O)Cc2[nH]cc[nH+]2)CCCC1 ZINC001684127517 1358232809 /nfs/dbraw/zinc/23/28/09/1358232809.db2.gz HZODVSJJGQHVHP-HNNXBMFYSA-N 1 2 344.459 2.148 10 30 EEEELO C=CCCCC(=O)N1CCCCC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001685151725 1358311089 /nfs/dbraw/zinc/31/10/89/1358311089.db2.gz PAFFDTACAOLANI-HNNXBMFYSA-N 1 2 332.448 2.196 10 30 EEEELO 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1330010826 /nfs/dbraw/zinc/01/08/26/1330010826.db2.gz PWRNLIPPXIJNMQ-QGZVFWFLSA-N 1 2 346.475 2.421 10 30 EEEELO C=C1CC(C)(C(=O)NC[C@@H]2[C@@H](C)CCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001297924135 1330017917 /nfs/dbraw/zinc/01/79/17/1330017917.db2.gz UXXUDZFIUIZPLT-GOEBONIOSA-N 1 2 344.459 2.052 10 30 EEEELO C=CC(C)(C)CC(=O)N[C@@H](C)CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001298786065 1330121032 /nfs/dbraw/zinc/12/10/32/1330121032.db2.gz MSNKIZITXZYCRS-ZDUSSCGKSA-N 1 2 342.443 2.480 10 30 EEEELO C=CC(C)(C)CC(=O)N(C)[C@@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001491961650 1330355433 /nfs/dbraw/zinc/35/54/33/1330355433.db2.gz MFWUZSXLDSSICS-HZPDHXFCSA-N 1 2 346.475 2.496 10 30 EEEELO C=CCC(CC=C)C(=O)N1CCCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001492048518 1330421780 /nfs/dbraw/zinc/42/17/80/1330421780.db2.gz USOFOTIBICMYMA-UHFFFAOYSA-N 1 2 344.459 2.172 10 30 EEEELO C=CCC(CC=C)C(=O)N1CCCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001492048518 1330421784 /nfs/dbraw/zinc/42/17/84/1330421784.db2.gz USOFOTIBICMYMA-UHFFFAOYSA-N 1 2 344.459 2.172 10 30 EEEELO C=C(C)C(C)(C)C(=O)NC1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001492116614 1330485386 /nfs/dbraw/zinc/48/53/86/1330485386.db2.gz HTLWTNRQRGGJCS-UHFFFAOYSA-N 1 2 346.475 2.062 10 30 EEEELO C#Cc1ccc(C(=O)NCCC[N@@H+](CC)Cc2nnc(C)s2)cc1 ZINC001316898525 1331964221 /nfs/dbraw/zinc/96/42/21/1331964221.db2.gz XDMLORQFWDGAOZ-UHFFFAOYSA-N 1 2 342.468 2.470 10 30 EEEELO C#Cc1ccc(C(=O)NCCC[N@H+](CC)Cc2nnc(C)s2)cc1 ZINC001316898525 1331964223 /nfs/dbraw/zinc/96/42/23/1331964223.db2.gz XDMLORQFWDGAOZ-UHFFFAOYSA-N 1 2 342.468 2.470 10 30 EEEELO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@@H+]([C@H](C)C(=O)NCC(C)C)C2)C1 ZINC001316948375 1332009850 /nfs/dbraw/zinc/00/98/50/1332009850.db2.gz RSBNEUWXHJSWIR-HZPDHXFCSA-N 1 2 335.492 2.084 10 30 EEEELO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@H+]([C@H](C)C(=O)NCC(C)C)C2)C1 ZINC001316948375 1332009853 /nfs/dbraw/zinc/00/98/53/1332009853.db2.gz RSBNEUWXHJSWIR-HZPDHXFCSA-N 1 2 335.492 2.084 10 30 EEEELO C=C1CC(C)(C(=O)N[C@H]2CCC[N@@H+]([C@@H](C)C(=O)NCC(C)C)C2)C1 ZINC001316948374 1332010030 /nfs/dbraw/zinc/01/00/30/1332010030.db2.gz RSBNEUWXHJSWIR-HOTGVXAUSA-N 1 2 335.492 2.084 10 30 EEEELO C=C1CC(C)(C(=O)N[C@H]2CCC[N@H+]([C@@H](C)C(=O)NCC(C)C)C2)C1 ZINC001316948374 1332010033 /nfs/dbraw/zinc/01/00/33/1332010033.db2.gz RSBNEUWXHJSWIR-HOTGVXAUSA-N 1 2 335.492 2.084 10 30 EEEELO C=C[C@@](C)(CC)C(=O)NCC[NH+]1CCN([C@H](C)c2ncc(C)o2)CC1 ZINC001316966729 1332019891 /nfs/dbraw/zinc/01/98/91/1332019891.db2.gz IQPLGLKEJSZYCI-APWZRJJASA-N 1 2 348.491 2.380 10 30 EEEELO C=CCOCC[NH+]1CCC2(C[C@H]2NC(=O)C(F)C(F)(F)F)CC1 ZINC001316998926 1332038106 /nfs/dbraw/zinc/03/81/06/1332038106.db2.gz RQHIGUMDYHSAGE-NEPJUHHUSA-N 1 2 338.345 2.060 10 30 EEEELO C=CCOCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H](F)C(F)(F)F)CC1 ZINC001316998926 1332038108 /nfs/dbraw/zinc/03/81/08/1332038108.db2.gz RQHIGUMDYHSAGE-NEPJUHHUSA-N 1 2 338.345 2.060 10 30 EEEELO C=CCCC(=O)NCC[N@@H+](C)CC(=O)N1c2ccccc2CC[C@H]1C ZINC001317441022 1332242818 /nfs/dbraw/zinc/24/28/18/1332242818.db2.gz XDAUSLAVJASCNZ-MRXNPFEDSA-N 1 2 343.471 2.369 10 30 EEEELO C=CCCC(=O)NCC[N@H+](C)CC(=O)N1c2ccccc2CC[C@H]1C ZINC001317441022 1332242821 /nfs/dbraw/zinc/24/28/21/1332242821.db2.gz XDAUSLAVJASCNZ-MRXNPFEDSA-N 1 2 343.471 2.369 10 30 EEEELO C=CCCC(=O)NCC[N@@H+](C)[C@H](C)C(=O)Nc1cc(F)ccc1F ZINC001317441586 1332242827 /nfs/dbraw/zinc/24/28/27/1332242827.db2.gz CJGDTHSKWYEBFQ-GFCCVEGCSA-N 1 2 339.386 2.306 10 30 EEEELO C=CCCC(=O)NCC[N@H+](C)[C@H](C)C(=O)Nc1cc(F)ccc1F ZINC001317441586 1332242830 /nfs/dbraw/zinc/24/28/30/1332242830.db2.gz CJGDTHSKWYEBFQ-GFCCVEGCSA-N 1 2 339.386 2.306 10 30 EEEELO C=CCN1CC[NH+](CCN(C)C(=O)[C@H]2[C@@H](C=C(C)C)C2(C)C)CC1 ZINC001317819775 1332420573 /nfs/dbraw/zinc/42/05/73/1332420573.db2.gz GQRNUFXAVUMGIL-QZTJIDSGSA-N 1 2 333.520 2.487 10 30 EEEELO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)OCc1ccc(F)cc1 ZINC001318225266 1332492293 /nfs/dbraw/zinc/49/22/93/1332492293.db2.gz WFVPKEDWIZVEGC-WBAXXEDZSA-N 1 2 330.403 2.039 10 30 EEEELO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)OCc1ccc(F)cc1 ZINC001318225266 1332492298 /nfs/dbraw/zinc/49/22/98/1332492298.db2.gz WFVPKEDWIZVEGC-WBAXXEDZSA-N 1 2 330.403 2.039 10 30 EEEELO C#CCO[C@H](C)C(=O)N(CC)[C@H]1CC[N@H+](Cc2ccncc2Cl)C1 ZINC001318471823 1332545736 /nfs/dbraw/zinc/54/57/36/1332545736.db2.gz VPMYAUQHYHAMOA-ZBFHGGJFSA-N 1 2 349.862 2.196 10 30 EEEELO C#CCO[C@H](C)C(=O)N(CC)[C@H]1CC[N@@H+](Cc2ccncc2Cl)C1 ZINC001318471823 1332545738 /nfs/dbraw/zinc/54/57/38/1332545738.db2.gz VPMYAUQHYHAMOA-ZBFHGGJFSA-N 1 2 349.862 2.196 10 30 EEEELO C=C(C)C(C)(C)C(=O)N(C)[C@H](C)C[NH2+][C@H](C)c1nc(COC)no1 ZINC001319508139 1332713024 /nfs/dbraw/zinc/71/30/24/1332713024.db2.gz AVZQKYTYNUAPKB-CHWSQXEVSA-N 1 2 338.452 2.316 10 30 EEEELO C=CCO[C@@H]1CCN(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC001320034273 1332814095 /nfs/dbraw/zinc/81/40/95/1332814095.db2.gz NTLBXIMTJITVFD-OAHLLOKOSA-N 1 2 344.390 2.498 10 30 EEEELO C=CCO[C@H]1CCN(C(=O)NCCc2cn3cccc(C)c3[nH+]2)C1 ZINC001320039435 1332814703 /nfs/dbraw/zinc/81/47/03/1332814703.db2.gz KVTVFZOTKDGXSS-INIZCTEOSA-N 1 2 328.416 2.172 10 30 EEEELO C=C(C)CCC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2nnc(C3CC3)[nH]2)C1 ZINC001320104669 1332827529 /nfs/dbraw/zinc/82/75/29/1332827529.db2.gz SGWZXJLIVRRMLG-JKSUJKDBSA-N 1 2 343.475 2.461 10 30 EEEELO C=C(C)CCC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2Cc2nnc(C3CC3)[nH]2)C1 ZINC001320104669 1332827533 /nfs/dbraw/zinc/82/75/33/1332827533.db2.gz SGWZXJLIVRRMLG-JKSUJKDBSA-N 1 2 343.475 2.461 10 30 EEEELO CC(C)c1noc([C@@H](C)[NH2+]C/C=C/CNC(=O)c2ccc(C#N)[nH]2)n1 ZINC001321033583 1333002130 /nfs/dbraw/zinc/00/21/30/1333002130.db2.gz XGOXGCMKNKXLHO-ZYOFXKKJSA-N 1 2 342.403 2.030 10 30 EEEELO C=C(C)CCC(=O)NC[C@@H]1CC[N@H+]1[C@H](C)C(=O)N1CCCCCC1 ZINC001323242041 1333419789 /nfs/dbraw/zinc/41/97/89/1333419789.db2.gz LZEAGMBANMBRSY-SJORKVTESA-N 1 2 335.492 2.324 10 30 EEEELO C=C(C)CCC(=O)NC[C@@H]1CC[N@@H+]1[C@H](C)C(=O)N1CCCCCC1 ZINC001323242041 1333419793 /nfs/dbraw/zinc/41/97/93/1333419793.db2.gz LZEAGMBANMBRSY-SJORKVTESA-N 1 2 335.492 2.324 10 30 EEEELO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCOCC(F)F ZINC001323684658 1333516249 /nfs/dbraw/zinc/51/62/49/1333516249.db2.gz OGNASMNQBGFXJN-OLZOCXBDSA-N 1 2 336.810 2.476 10 30 EEEELO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCOCC(F)F ZINC001323684658 1333516254 /nfs/dbraw/zinc/51/62/54/1333516254.db2.gz OGNASMNQBGFXJN-OLZOCXBDSA-N 1 2 336.810 2.476 10 30 EEEELO C#CCN(C(=O)c1cc(C)on1)C1CC[NH+](Cc2cscn2)CC1 ZINC001324364426 1333666643 /nfs/dbraw/zinc/66/66/43/1333666643.db2.gz HDEOIUNNTXYEHB-UHFFFAOYSA-N 1 2 344.440 2.180 10 30 EEEELO C#CCN(C(=O)c1conc1C)C1CC[NH+](Cc2coc(C)n2)CC1 ZINC001324419583 1333678718 /nfs/dbraw/zinc/67/87/18/1333678718.db2.gz CBJGIRWXQCMFQR-UHFFFAOYSA-N 1 2 342.399 2.019 10 30 EEEELO CC(C)c1noc(C[NH2+]C[C@H](NC(=O)C#CC2CC2)C2CCCC2)n1 ZINC001324469518 1333690368 /nfs/dbraw/zinc/69/03/68/1333690368.db2.gz NZQFVLIGZBZSCH-INIZCTEOSA-N 1 2 344.459 2.371 10 30 EEEELO C=CCO[C@H]1CC[N@@H+]([C@H](C)C(=O)c2[nH]c(C)c(C(=O)OC)c2C)C1 ZINC001325221715 1333849709 /nfs/dbraw/zinc/84/97/09/1333849709.db2.gz BSRPAHRRYONZMB-KGLIPLIRSA-N 1 2 334.416 2.266 10 30 EEEELO C=CCO[C@H]1CC[N@H+]([C@H](C)C(=O)c2[nH]c(C)c(C(=O)OC)c2C)C1 ZINC001325221715 1333849712 /nfs/dbraw/zinc/84/97/12/1333849712.db2.gz BSRPAHRRYONZMB-KGLIPLIRSA-N 1 2 334.416 2.266 10 30 EEEELO Cc1nc(C[N@@H+]2CC[C@@H]3[C@H]2CCCN3C(=O)CSCC#N)oc1C ZINC001325875617 1333981544 /nfs/dbraw/zinc/98/15/44/1333981544.db2.gz NVJODHUGGCODSI-HUUCEWRRSA-N 1 2 348.472 2.114 10 30 EEEELO Cc1nc(C[N@H+]2CC[C@@H]3[C@H]2CCCN3C(=O)CSCC#N)oc1C ZINC001325875617 1333981545 /nfs/dbraw/zinc/98/15/45/1333981545.db2.gz NVJODHUGGCODSI-HUUCEWRRSA-N 1 2 348.472 2.114 10 30 EEEELO C=CC(C)(C)CC(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2Cc1cn(CC)nn1 ZINC001325899919 1333989872 /nfs/dbraw/zinc/98/98/72/1333989872.db2.gz OKSHZYCBHYLSNG-DLBZAZTESA-N 1 2 345.491 2.466 10 30 EEEELO C=CC(C)(C)CC(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2Cc1cn(CC)nn1 ZINC001325899919 1333989875 /nfs/dbraw/zinc/98/98/75/1333989875.db2.gz OKSHZYCBHYLSNG-DLBZAZTESA-N 1 2 345.491 2.466 10 30 EEEELO C=CCCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cccc(OC(C)C)n1 ZINC001326658841 1334136432 /nfs/dbraw/zinc/13/64/32/1334136432.db2.gz RMSZMTTZHZMZQS-INIZCTEOSA-N 1 2 347.459 2.266 10 30 EEEELO C=CCCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cccc(OC(C)C)n1 ZINC001326658841 1334136435 /nfs/dbraw/zinc/13/64/35/1334136435.db2.gz RMSZMTTZHZMZQS-INIZCTEOSA-N 1 2 347.459 2.266 10 30 EEEELO CC#CCCCC(=O)NC[C@@H]1CCC2(C[NH+](CCOC3CCC3)C2)O1 ZINC001327360691 1334276904 /nfs/dbraw/zinc/27/69/04/1334276904.db2.gz XDRFCGYAFZIHMH-SFHVURJKSA-N 1 2 348.487 2.099 10 30 EEEELO C=CCCC(=O)NC[C@@H]1Cc2ccccc2C[N@H+]1CC(=O)NC(C)C ZINC001327506847 1334303952 /nfs/dbraw/zinc/30/39/52/1334303952.db2.gz IGWNMCAEFKZPIG-SFHVURJKSA-N 1 2 343.471 2.020 10 30 EEEELO C=CCCC(=O)NC[C@@H]1Cc2ccccc2C[N@@H+]1CC(=O)NC(C)C ZINC001327506847 1334303958 /nfs/dbraw/zinc/30/39/58/1334303958.db2.gz IGWNMCAEFKZPIG-SFHVURJKSA-N 1 2 343.471 2.020 10 30 EEEELO C#CC[N@H+]1Cc2ccc(CNC(=O)Cc3ccc4c(c3)CCO4)cc2C1 ZINC001327695970 1334336236 /nfs/dbraw/zinc/33/62/36/1334336236.db2.gz MQZKLABFUOZGCS-UHFFFAOYSA-N 1 2 346.430 2.429 10 30 EEEELO C#CC[N@@H+]1Cc2ccc(CNC(=O)Cc3ccc4c(c3)CCO4)cc2C1 ZINC001327695970 1334336238 /nfs/dbraw/zinc/33/62/38/1334336238.db2.gz MQZKLABFUOZGCS-UHFFFAOYSA-N 1 2 346.430 2.429 10 30 EEEELO C=CC(C)(C)CC(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3nc(CC)no3)C[C@H]21 ZINC001330295361 1334819650 /nfs/dbraw/zinc/81/96/50/1334819650.db2.gz DLVLXCDGVWURFK-ZSOGYDGISA-N 1 2 332.448 2.028 10 30 EEEELO C=CC(C)(C)CC(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3nc(CC)no3)C[C@H]21 ZINC001330295361 1334819653 /nfs/dbraw/zinc/81/96/53/1334819653.db2.gz DLVLXCDGVWURFK-ZSOGYDGISA-N 1 2 332.448 2.028 10 30 EEEELO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCCc1ccc(Cl)c(Cl)c1 ZINC001331002869 1334944650 /nfs/dbraw/zinc/94/46/50/1334944650.db2.gz FXKFNZKNVJBHQP-ZDUSSCGKSA-N 1 2 345.226 2.099 10 30 EEEELO C#CCCCC(=O)N(C)C[C@@H](C)[NH2+]Cc1nnc(C(F)(F)F)s1 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C=CCNC(=O)c1ccc(NC(=O)c2cc(-n3cc[nH+]c3)ccn2)cc1 ZINC000352232207 465507900 /nfs/dbraw/zinc/50/79/00/465507900.db2.gz OLWIQUXMSYACKM-UHFFFAOYSA-N 1 2 347.378 2.435 10 30 EEEELO C[C@](C#N)(NC(=O)C[NH2+][C@H](Cc1ccccc1)c1ncco1)C1CC1 ZINC000594057007 468474742 /nfs/dbraw/zinc/47/47/42/468474742.db2.gz XOBFQKPIOIKCQG-VQIMIIECSA-N 1 2 338.411 2.356 10 30 EEEELO N#Cc1cccc(CNC(=O)NCc2ccnc(-n3cc[nH+]c3)c2)c1 ZINC000362997760 466168660 /nfs/dbraw/zinc/16/86/60/466168660.db2.gz OKZZABGNVGKGBE-UHFFFAOYSA-N 1 2 332.367 2.138 10 30 EEEELO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC000375316616 466835190 /nfs/dbraw/zinc/83/51/90/466835190.db2.gz YFDXBGIMYYIKQL-BBRMVZONSA-N 1 2 345.468 2.334 10 30 EEEELO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1C[C@H](O)C2(CC2)C1 ZINC000375316616 466835195 /nfs/dbraw/zinc/83/51/95/466835195.db2.gz YFDXBGIMYYIKQL-BBRMVZONSA-N 1 2 345.468 2.334 10 30 EEEELO CC(C)(C)N1CC[C@@H]([NH+]2CCN(Cc3ccc(C#N)cc3)CC2)C1=O ZINC000425381361 467092744 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N#Cc1cccc(CNC(=O)C[N@H+]2CCOC[C@@H]2CC2CCC2)c1 ZINC000550503556 468217669 /nfs/dbraw/zinc/21/76/69/468217669.db2.gz QPNBYZXWJXMUJD-SFHVURJKSA-N 1 2 327.428 2.065 10 30 EEEELO N#CC1(CC(=O)N2CC[NH+]([C@@H](CO)c3ccc(Cl)cc3)CC2)CC1 ZINC000590317922 468234572 /nfs/dbraw/zinc/23/45/72/468234572.db2.gz ATKSRFCZXYHRGX-INIZCTEOSA-N 1 2 347.846 2.211 10 30 EEEELO N#CCc1ccc(CS(=O)(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000592028391 468601006 /nfs/dbraw/zinc/60/10/06/468601006.db2.gz MCZVDZZAVAVMHA-QGZVFWFLSA-N 1 2 344.440 2.116 10 30 EEEELO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000570335363 468623818 /nfs/dbraw/zinc/62/38/18/468623818.db2.gz ARDAVNCQMJVPJC-XPKDYRNWSA-N 1 2 329.356 2.240 10 30 EEEELO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000570335363 468623820 /nfs/dbraw/zinc/62/38/20/468623820.db2.gz ARDAVNCQMJVPJC-XPKDYRNWSA-N 1 2 329.356 2.240 10 30 EEEELO CC(C)(C[NH+]1CCOCC1)NC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000583130974 468648040 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N#Cc1cccc(OC2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)c1 ZINC000602095077 469186180 /nfs/dbraw/zinc/18/61/80/469186180.db2.gz YKFFWYBSAKWETL-IAGOWNOFSA-N 1 2 336.395 2.455 10 30 EEEELO CCc1ccc([C@@H]2COCC[N@@H+]2C[C@H](O)CC2(C#N)CCOCC2)o1 ZINC000599305059 469202782 /nfs/dbraw/zinc/20/27/82/469202782.db2.gz QTJMMDZLRLQAAI-WBVHZDCISA-N 1 2 348.443 2.287 10 30 EEEELO CCc1ccc([C@@H]2COCC[N@H+]2C[C@H](O)CC2(C#N)CCOCC2)o1 ZINC000599305059 469202786 /nfs/dbraw/zinc/20/27/86/469202786.db2.gz QTJMMDZLRLQAAI-WBVHZDCISA-N 1 2 348.443 2.287 10 30 EEEELO C[C@@H]([NH2+]C[C@@H](O)CC1(C#N)CC1)c1noc(Cc2ccccc2)n1 ZINC000599362204 469227954 /nfs/dbraw/zinc/22/79/54/469227954.db2.gz HZQHMAWKYNSJIJ-HIFRSBDPSA-N 1 2 326.400 2.366 10 30 EEEELO CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000603159713 469291604 /nfs/dbraw/zinc/29/16/04/469291604.db2.gz YGVCVHQUPJSZHE-SJLPKXTDSA-N 1 2 349.438 2.054 10 30 EEEELO N#Cc1cnccc1CN(CC[NH+]1CCOCC1)c1ccccc1F ZINC000599615102 469309902 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C=CC[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1cccc([N+](=O)[O-])c1 ZINC000063297862 462639157 /nfs/dbraw/zinc/63/91/57/462639157.db2.gz BTRWYJWJLJHXNS-SFHVURJKSA-N 1 2 342.399 2.391 10 30 EEEELO C=CC[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1cccc([N+](=O)[O-])c1 ZINC000063297862 462639162 /nfs/dbraw/zinc/63/91/62/462639162.db2.gz BTRWYJWJLJHXNS-SFHVURJKSA-N 1 2 342.399 2.391 10 30 EEEELO C=CCNC(=O)CN1CC[N@@H+](Cc2ccc(C)nc2)C[C@@H]1[C@H](C)CC ZINC000135883430 463204356 /nfs/dbraw/zinc/20/43/56/463204356.db2.gz WJYHTWAZPSHOPH-VQIMIIECSA-N 1 2 344.503 2.225 10 30 EEEELO C=CCNC(=O)CN1CC[N@H+](Cc2ccc(C)nc2)C[C@@H]1[C@H](C)CC ZINC000135883430 463204361 /nfs/dbraw/zinc/20/43/61/463204361.db2.gz WJYHTWAZPSHOPH-VQIMIIECSA-N 1 2 344.503 2.225 10 30 EEEELO C[C@@H]1C[C@H](NC(=O)NCCOc2ccc(C#N)cc2)c2[nH+]ccn21 ZINC000590806625 468344347 /nfs/dbraw/zinc/34/43/47/468344347.db2.gz IFTGWCSZSKJYHE-DOMZBBRYSA-N 1 2 325.372 2.139 10 30 EEEELO N#CC1(C(=O)N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)CCCCC1 ZINC000069632074 463292866 /nfs/dbraw/zinc/29/28/66/463292866.db2.gz LACMZGKGALJECD-GOSISDBHSA-N 1 2 341.455 2.338 10 30 EEEELO Cn1c2c3c(c1C[NH+](C)C)c(=O)n(C)cc3C(=O)C(c1cccnc1)=C2 ZINC000102704530 463389984 /nfs/dbraw/zinc/38/99/84/463389984.db2.gz JUJRYGGRMSXCSG-UHFFFAOYSA-N 1 2 348.406 2.071 10 30 EEEELO C=CCN(Cc1ccc(OC)cc1)C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000056863661 463429693 /nfs/dbraw/zinc/42/96/93/463429693.db2.gz IFIWPKVKROSZEB-MRXNPFEDSA-N 1 2 347.459 2.114 10 30 EEEELO CNC(=O)Cc1nc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)cs1 ZINC000177581473 463742868 /nfs/dbraw/zinc/74/28/68/463742868.db2.gz CJBNAECLIDVSBI-UHFFFAOYSA-N 1 2 340.452 2.468 10 30 EEEELO CNC(=O)Cc1nc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)cs1 ZINC000177581473 463742874 /nfs/dbraw/zinc/74/28/74/463742874.db2.gz CJBNAECLIDVSBI-UHFFFAOYSA-N 1 2 340.452 2.468 10 30 EEEELO Cc1nc(N2CCN(C(=O)/C=C/c3ccccc3C#N)CC2)cc[nH+]1 ZINC000185446717 463824453 /nfs/dbraw/zinc/82/44/53/463824453.db2.gz WCVFKJSCHPBVJV-VOTSOKGWSA-N 1 2 333.395 2.019 10 30 EEEELO CCOCC[NH+]1CCN(C(=O)c2ccc(C3(C#N)CC3)cc2)CC1 ZINC000180371969 464296078 /nfs/dbraw/zinc/29/60/78/464296078.db2.gz VVAGJJHLYGGGTE-UHFFFAOYSA-N 1 2 327.428 2.036 10 30 EEEELO C=CCC(F)(F)C(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000293512165 464409087 /nfs/dbraw/zinc/40/90/87/464409087.db2.gz OLGMGKPFBCIVKN-LBPRGKRZSA-N 1 2 325.359 2.134 10 30 EEEELO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000189653331 464536361 /nfs/dbraw/zinc/53/63/61/464536361.db2.gz OFWONBBUGHTELA-OAHLLOKOSA-N 1 2 345.491 2.222 10 30 EEEELO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000246623816 464606686 /nfs/dbraw/zinc/60/66/86/464606686.db2.gz IREMTOPUQVJEPK-YOEHRIQHSA-N 1 2 338.398 2.497 10 30 EEEELO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000246623816 464606695 /nfs/dbraw/zinc/60/66/95/464606695.db2.gz IREMTOPUQVJEPK-YOEHRIQHSA-N 1 2 338.398 2.497 10 30 EEEELO CCn1cc([C@@H]2C[N@H+](CCOc3ccc(C#N)cc3)CCO2)cn1 ZINC000190824134 464727109 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O=C(Nc1cccc(C(F)F)c1Cl)N1CC[NH+](CCO)CC1 ZINC000330812066 465814452 /nfs/dbraw/zinc/81/44/52/465814452.db2.gz BAPGXWAFVKONCD-UHFFFAOYSA-N 1 2 333.766 2.433 10 30 EEEELO CC(=O)c1ccc(C#N)cc1NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000302030814 466081733 /nfs/dbraw/zinc/08/17/33/466081733.db2.gz BVYZQNFWPPRTIR-GOSISDBHSA-N 1 2 345.468 2.381 10 30 EEEELO C[C@H]([NH2+][C@@H](Cc1ccccc1)c1ncco1)C(=O)NC1(C#N)CCC1 ZINC000594056205 468474272 /nfs/dbraw/zinc/47/42/72/468474272.db2.gz SPWLZFRECIDASX-HOCLYGCPSA-N 1 2 338.411 2.499 10 30 EEEELO CC[C@@H](C#N)Oc1cccc(CNc2nc3c(cnn3C)c(N)[nH+]2)c1 ZINC000302881581 466207598 /nfs/dbraw/zinc/20/75/98/466207598.db2.gz JDGDWFJUASPMPQ-LBPRGKRZSA-N 1 2 337.387 2.239 10 30 EEEELO CCN(CC)c1ccc(CNS(=O)(=O)CC2(C#N)CCC2)c[nH+]1 ZINC000354105130 466341016 /nfs/dbraw/zinc/34/10/16/466341016.db2.gz XEKRBRSALKPNFP-UHFFFAOYSA-N 1 2 336.461 2.041 10 30 EEEELO C#CCCCS(=O)(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000376353524 466907842 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N#CCCN(C(=O)C[N@@H+]1CCO[C@]2(CCSC2)C1)c1ccccc1 ZINC000583628689 468731084 /nfs/dbraw/zinc/73/10/84/468731084.db2.gz PZWRZDFUJRHPQH-GOSISDBHSA-N 1 2 345.468 2.141 10 30 EEEELO N#CCCN(C(=O)C[N@H+]1CCO[C@]2(CCSC2)C1)c1ccccc1 ZINC000583628689 468731090 /nfs/dbraw/zinc/73/10/90/468731090.db2.gz PZWRZDFUJRHPQH-GOSISDBHSA-N 1 2 345.468 2.141 10 30 EEEELO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH2+][C@H](C)c1nnc2n1CCCCC2 ZINC000595430318 468850139 /nfs/dbraw/zinc/85/01/39/468850139.db2.gz INOIRQXJFMFAMU-LBTNJELSSA-N 1 2 346.479 2.098 10 30 EEEELO CC[C@@H]1C[N@H+](Cc2cccc(C(=O)OC)c2C#N)C[C@@]2(CCOC2)O1 ZINC000562317729 468936512 /nfs/dbraw/zinc/93/65/12/468936512.db2.gz STKJGYFWDTYZLU-DNVCBOLYSA-N 1 2 344.411 2.115 10 30 EEEELO CC[C@@H]1C[N@@H+](Cc2cccc(C(=O)OC)c2C#N)C[C@@]2(CCOC2)O1 ZINC000562317729 468936514 /nfs/dbraw/zinc/93/65/14/468936514.db2.gz STKJGYFWDTYZLU-DNVCBOLYSA-N 1 2 344.411 2.115 10 30 EEEELO CC(C)(C#N)CCCC[N@@H+]1CCc2sc(S(N)(=O)=O)cc2C1 ZINC000595883814 469063339 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COCCC[C@H](C)C(=O)NCC1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001481653070 1182128938 /nfs/dbraw/zinc/12/89/38/1182128938.db2.gz BUOYDPAXJHTGLP-AWEZNQCLSA-N 1 2 347.434 2.308 10 30 EEEELO C=C(Br)C[N@H+]1CC[C@@H](N(C)C(=O)CCOCC(C)C)C1 ZINC001481717116 1182321809 /nfs/dbraw/zinc/32/18/09/1182321809.db2.gz ZPRHKDUQZUGGIF-CQSZACIVSA-N 1 2 347.297 2.490 10 30 EEEELO C=C(Br)C[N@@H+]1CC[C@@H](N(C)C(=O)CCOCC(C)C)C1 ZINC001481717116 1182321816 /nfs/dbraw/zinc/32/18/16/1182321816.db2.gz ZPRHKDUQZUGGIF-CQSZACIVSA-N 1 2 347.297 2.490 10 30 EEEELO C=C[C@H](CC)CC(=O)N1CC[NH+](CCN(C)C(=O)/C(C)=C\C)CC1 ZINC001745695697 1182438170 /nfs/dbraw/zinc/43/81/70/1182438170.db2.gz STUXNMGBSKETBZ-LTFKWQPMSA-N 1 2 335.492 2.158 10 30 EEEELO C=CCCCC(=O)N(C)C[C@H]1CCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001279866369 1183517538 /nfs/dbraw/zinc/51/75/38/1183517538.db2.gz NNZAARGTGXNKNG-OAHLLOKOSA-N 1 2 332.448 2.066 10 30 EEEELO C=C1CC(C)(C(=O)NCC2C[NH+](CC(=O)N[C@@H](C)CCC(C)C)C2)C1 ZINC001268878666 1183787180 /nfs/dbraw/zinc/78/71/80/1183787180.db2.gz BGDCKECBTCIOIG-INIZCTEOSA-N 1 2 349.519 2.332 10 30 EEEELO C=CCC(C)(C)C(=O)NCC1C[NH+]([C@H](C)C(=O)NC2CCCC2)C1 ZINC001268883146 1183790993 /nfs/dbraw/zinc/79/09/93/1183790993.db2.gz AZHSBKPBWPCSJE-CQSZACIVSA-N 1 2 335.492 2.084 10 30 EEEELO C=CCCO[C@@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2cccc(Cl)n2)C1 ZINC001269113050 1183970335 /nfs/dbraw/zinc/97/03/35/1183970335.db2.gz IUPNFULUKJCEKO-DZGCQCFKSA-N 1 2 337.851 2.407 10 30 EEEELO C=CCCO[C@@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2cccc(Cl)n2)C1 ZINC001269113050 1183970337 /nfs/dbraw/zinc/97/03/37/1183970337.db2.gz IUPNFULUKJCEKO-DZGCQCFKSA-N 1 2 337.851 2.407 10 30 EEEELO C=CCC(C)(C)C(=O)N[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NCc2ccco2)C1 ZINC001269171806 1184026217 /nfs/dbraw/zinc/02/62/17/1184026217.db2.gz CPFABLFYGFEOQS-LSDHHAIUSA-N 1 2 347.459 2.077 10 30 EEEELO C=CCC(C)(C)C(=O)N[C@@H]1CC[N@H+]([C@@H](C)C(=O)NCc2ccco2)C1 ZINC001269171806 1184026224 /nfs/dbraw/zinc/02/62/24/1184026224.db2.gz CPFABLFYGFEOQS-LSDHHAIUSA-N 1 2 347.459 2.077 10 30 EEEELO O=C(CC[C@H]1CCCO1)NC[C@H]1CC[N@@H+]1CC#Cc1ccccc1 ZINC001269201182 1184052685 /nfs/dbraw/zinc/05/26/85/1184052685.db2.gz SSQLVXVWDUIGJI-RTBURBONSA-N 1 2 326.440 2.188 10 30 EEEELO O=C(CC[C@H]1CCCO1)NC[C@H]1CC[N@H+]1CC#Cc1ccccc1 ZINC001269201182 1184052690 /nfs/dbraw/zinc/05/26/90/1184052690.db2.gz SSQLVXVWDUIGJI-RTBURBONSA-N 1 2 326.440 2.188 10 30 EEEELO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@H]1CNC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001269214864 1184065066 /nfs/dbraw/zinc/06/50/66/1184065066.db2.gz LQAVNBSXLZETOF-IMBTUZDBSA-N 1 2 347.503 2.038 10 30 EEEELO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@H]1CNC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001269214864 1184065074 /nfs/dbraw/zinc/06/50/74/1184065074.db2.gz LQAVNBSXLZETOF-IMBTUZDBSA-N 1 2 347.503 2.038 10 30 EEEELO C#Cc1ccc(C(=O)NC[C@H]2CC[N@H+]2CCOCC(F)(F)F)cc1 ZINC001269273548 1184123772 /nfs/dbraw/zinc/12/37/72/1184123772.db2.gz ZGVOAVJYJUIFGF-OAHLLOKOSA-N 1 2 340.345 2.051 10 30 EEEELO C#Cc1ccc(C(=O)NC[C@H]2CC[N@@H+]2CCOCC(F)(F)F)cc1 ZINC001269273548 1184123775 /nfs/dbraw/zinc/12/37/75/1184123775.db2.gz ZGVOAVJYJUIFGF-OAHLLOKOSA-N 1 2 340.345 2.051 10 30 EEEELO CCCc1cc(C(=O)N2CCC([N@H+](CC#N)CC3CC3)CC2)[nH]n1 ZINC001269621806 1184446782 /nfs/dbraw/zinc/44/67/82/1184446782.db2.gz PLXXMJOLSCMBIM-UHFFFAOYSA-N 1 2 329.448 2.202 10 30 EEEELO CCCc1cc(C(=O)N2CCC([N@@H+](CC#N)CC3CC3)CC2)[nH]n1 ZINC001269621806 1184446785 /nfs/dbraw/zinc/44/67/85/1184446785.db2.gz PLXXMJOLSCMBIM-UHFFFAOYSA-N 1 2 329.448 2.202 10 30 EEEELO C=C[C@](C)(CC)C(=O)N(C)C1C[NH+](Cc2ccc3c(c2)nnn3C)C1 ZINC001269843691 1184663131 /nfs/dbraw/zinc/66/31/31/1184663131.db2.gz QSMVRFBFZMPGTM-LJQANCHMSA-N 1 2 341.459 2.213 10 30 EEEELO CC(C)(C)C#CC(=O)N1CCC[C@H]1C[NH2+]Cc1nc(C(C)(C)C)no1 ZINC001270044033 1184807617 /nfs/dbraw/zinc/80/76/17/1184807617.db2.gz XYXNCRUGCIRBPZ-AWEZNQCLSA-N 1 2 346.475 2.497 10 30 EEEELO C#CCOCCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C/C(Cl)=C\Cl ZINC001270483834 1185124594 /nfs/dbraw/zinc/12/45/94/1185124594.db2.gz KOUVAHFIRULNSQ-XGWPRKDGSA-N 1 2 345.270 2.411 10 30 EEEELO C#CCOCCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C/C(Cl)=C\Cl ZINC001270483834 1185124596 /nfs/dbraw/zinc/12/45/96/1185124596.db2.gz KOUVAHFIRULNSQ-XGWPRKDGSA-N 1 2 345.270 2.411 10 30 EEEELO C=CC[N@@H+](C)CCN(CC)C(=O)c1ccc(S(=O)(=O)CC)cc1 ZINC001626750991 1185248634 /nfs/dbraw/zinc/24/86/34/1185248634.db2.gz OTGGTUCHGLVGET-UHFFFAOYSA-N 1 2 338.473 2.060 10 30 EEEELO C=CC[N@H+](C)CCN(CC)C(=O)c1ccc(S(=O)(=O)CC)cc1 ZINC001626750991 1185248636 /nfs/dbraw/zinc/24/86/36/1185248636.db2.gz OTGGTUCHGLVGET-UHFFFAOYSA-N 1 2 338.473 2.060 10 30 EEEELO C#CCCCC(=O)NC[C@@H]1C[N@H+](C/C=C/c2ccccc2)CCO1 ZINC001270638689 1185257625 /nfs/dbraw/zinc/25/76/25/1185257625.db2.gz PLJIULGOXWTYQR-UFUQCMIWSA-N 1 2 326.440 2.320 10 30 EEEELO C#CCCCC(=O)NC[C@@H]1C[N@@H+](C/C=C/c2ccccc2)CCO1 ZINC001270638689 1185257630 /nfs/dbraw/zinc/25/76/30/1185257630.db2.gz PLJIULGOXWTYQR-UFUQCMIWSA-N 1 2 326.440 2.320 10 30 EEEELO C#Cc1ccccc1CC(=O)N[C@]1(C)CC[N@@H+]([C@H](C)c2ncccn2)C1 ZINC001270648783 1185263950 /nfs/dbraw/zinc/26/39/50/1185263950.db2.gz JKZNZPYZIOKDIM-IIBYNOLFSA-N 1 2 348.450 2.342 10 30 EEEELO C#Cc1ccccc1CC(=O)N[C@]1(C)CC[N@H+]([C@H](C)c2ncccn2)C1 ZINC001270648783 1185263956 /nfs/dbraw/zinc/26/39/56/1185263956.db2.gz JKZNZPYZIOKDIM-IIBYNOLFSA-N 1 2 348.450 2.342 10 30 EEEELO C=CCCCC(=O)NC[C@]1(C)CCC[N@@H+](Cc2cnn(CC)n2)C1 ZINC001270984070 1185789094 /nfs/dbraw/zinc/78/90/94/1185789094.db2.gz XIWYTBALYMCXBN-SFHVURJKSA-N 1 2 333.480 2.373 10 30 EEEELO C=CCCCC(=O)NC[C@]1(C)CCC[N@H+](Cc2cnn(CC)n2)C1 ZINC001270984070 1185789097 /nfs/dbraw/zinc/78/90/97/1185789097.db2.gz XIWYTBALYMCXBN-SFHVURJKSA-N 1 2 333.480 2.373 10 30 EEEELO C=CCC1(C(=O)NC2CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C2)CCC1 ZINC001745924005 1186049616 /nfs/dbraw/zinc/04/96/16/1186049616.db2.gz LQKJNBKDRGJRFT-UHFFFAOYSA-N 1 2 344.459 2.000 10 30 EEEELO C=C1CC(C)(C(=O)N[C@@H](C[NH2+]Cc2nc(N(C)C)no2)CC(C)C)C1 ZINC001271294576 1186124620 /nfs/dbraw/zinc/12/46/20/1186124620.db2.gz PUFAJMMPWHBQKC-CQSZACIVSA-N 1 2 349.479 2.112 10 30 EEEELO C=CCCCC(=O)NCC1(NC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001299231286 1193404969 /nfs/dbraw/zinc/40/49/69/1193404969.db2.gz VHJLIRVFCZGVLW-UHFFFAOYSA-N 1 2 340.427 2.378 10 30 EEEELO CC(C)C#CC(=O)NC[C@H]1COCC[N@@H+]1CC1CCC(F)(F)CC1 ZINC001280405646 1186299192 /nfs/dbraw/zinc/29/91/92/1186299192.db2.gz CMYARDMEMWNOTJ-INIZCTEOSA-N 1 2 342.430 2.288 10 30 EEEELO CC(C)C#CC(=O)NC[C@H]1COCC[N@H+]1CC1CCC(F)(F)CC1 ZINC001280405646 1186299203 /nfs/dbraw/zinc/29/92/03/1186299203.db2.gz CMYARDMEMWNOTJ-INIZCTEOSA-N 1 2 342.430 2.288 10 30 EEEELO CC(C)C(=O)N[C@@]1(CO)CCC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001271940871 1186652725 /nfs/dbraw/zinc/65/27/25/1186652725.db2.gz KOMIUJLLFLGEJT-IBGZPJMESA-N 1 2 348.874 2.291 10 30 EEEELO CC(C)C(=O)N[C@@]1(CO)CCC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001271940871 1186652726 /nfs/dbraw/zinc/65/27/26/1186652726.db2.gz KOMIUJLLFLGEJT-IBGZPJMESA-N 1 2 348.874 2.291 10 30 EEEELO C=CCCC(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2Cc1nnc2n1CCCC2 ZINC001272006042 1186914669 /nfs/dbraw/zinc/91/46/69/1186914669.db2.gz RFETWUDVKPENGW-JKSUJKDBSA-N 1 2 343.475 2.146 10 30 EEEELO C=CCCC(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2Cc1nnc2n1CCCC2 ZINC001272006042 1186914673 /nfs/dbraw/zinc/91/46/73/1186914673.db2.gz RFETWUDVKPENGW-JKSUJKDBSA-N 1 2 343.475 2.146 10 30 EEEELO C#CCCCCC(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2Cc1nonc1C ZINC001272014628 1186966962 /nfs/dbraw/zinc/96/69/62/1186966962.db2.gz CQGXVMYEKWKDMF-IAGOWNOFSA-N 1 2 330.432 2.137 10 30 EEEELO C#CCCCCC(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2Cc1nonc1C ZINC001272014628 1186966965 /nfs/dbraw/zinc/96/69/65/1186966965.db2.gz CQGXVMYEKWKDMF-IAGOWNOFSA-N 1 2 330.432 2.137 10 30 EEEELO CCc1nnc(C[N@@H+]2CC[C@@H]3[C@@H]2CCCN3C(=O)C#CC(C)(C)C)o1 ZINC001272025361 1187052334 /nfs/dbraw/zinc/05/23/34/1187052334.db2.gz VSFIGTPEMHXUOF-LSDHHAIUSA-N 1 2 344.459 2.247 10 30 EEEELO CCc1nnc(C[N@H+]2CC[C@@H]3[C@@H]2CCCN3C(=O)C#CC(C)(C)C)o1 ZINC001272025361 1187052338 /nfs/dbraw/zinc/05/23/38/1187052338.db2.gz VSFIGTPEMHXUOF-LSDHHAIUSA-N 1 2 344.459 2.247 10 30 EEEELO C#CCCCCC(=O)N1CCC[C@H]2C[N@H+](Cc3cnns3)C[C@H]21 ZINC001272071974 1187384887 /nfs/dbraw/zinc/38/48/87/1187384887.db2.gz OZTCJVNAKHAKNJ-GOEBONIOSA-N 1 2 332.473 2.155 10 30 EEEELO C#CCCCCC(=O)N1CCC[C@H]2C[N@@H+](Cc3cnns3)C[C@H]21 ZINC001272071974 1187384888 /nfs/dbraw/zinc/38/48/88/1187384888.db2.gz OZTCJVNAKHAKNJ-GOEBONIOSA-N 1 2 332.473 2.155 10 30 EEEELO C=C(Br)C[N@@H+](C)CCOCCN(C)C(=O)C(C)(C)F ZINC001691590152 1188292457 /nfs/dbraw/zinc/29/24/57/1188292457.db2.gz QKJVIHGKEIUQKD-UHFFFAOYSA-N 1 2 339.249 2.050 10 30 EEEELO C=C(Br)C[N@H+](C)CCOCCN(C)C(=O)C(C)(C)F ZINC001691590152 1188292460 /nfs/dbraw/zinc/29/24/60/1188292460.db2.gz QKJVIHGKEIUQKD-UHFFFAOYSA-N 1 2 339.249 2.050 10 30 EEEELO C=CC[C@H](C(=O)N(C)CC[NH2+]Cc1nc(C)no1)c1ccccc1 ZINC001691615916 1188317663 /nfs/dbraw/zinc/31/76/63/1188317663.db2.gz XGPZNGNXIDCBEZ-INIZCTEOSA-N 1 2 328.416 2.286 10 30 EEEELO C=C1CC(C)(C(=O)NC/C=C/C[NH2+]Cc2nnc(C(C)(C)C)o2)C1 ZINC001483057492 1188333480 /nfs/dbraw/zinc/33/34/80/1188333480.db2.gz POKRGXVCVYAYDH-VOTSOKGWSA-N 1 2 332.448 2.485 10 30 EEEELO CCCCCCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCCCO1 ZINC001272850981 1193576594 /nfs/dbraw/zinc/57/65/94/1193576594.db2.gz LWPKHYHQKMXJEL-IAGOWNOFSA-N 1 2 326.481 2.343 10 30 EEEELO CCCCCCC[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCCCO1 ZINC001272850981 1193576596 /nfs/dbraw/zinc/57/65/96/1193576596.db2.gz LWPKHYHQKMXJEL-IAGOWNOFSA-N 1 2 326.481 2.343 10 30 EEEELO CO[C@H](C(=O)N(C)C[C@@H]1CC[N@@H+]1CC#Cc1ccc(F)cc1)C(C)C ZINC001691657796 1193606865 /nfs/dbraw/zinc/60/68/65/1193606865.db2.gz YZLQZFSGOJBGQP-OALUTQOASA-N 1 2 346.446 2.381 10 30 EEEELO CO[C@H](C(=O)N(C)C[C@@H]1CC[N@H+]1CC#Cc1ccc(F)cc1)C(C)C ZINC001691657796 1193606866 /nfs/dbraw/zinc/60/68/66/1193606866.db2.gz YZLQZFSGOJBGQP-OALUTQOASA-N 1 2 346.446 2.381 10 30 EEEELO C=C[C@](C)(O)CC(=O)N[C@@H](C)C[N@H+](C)Cc1nc(C)c(C)s1 ZINC001483330703 1190358534 /nfs/dbraw/zinc/35/85/34/1190358534.db2.gz GMKXUEPEWFLUDC-ZBEGNZNMSA-N 1 2 325.478 2.024 10 30 EEEELO C=C[C@](C)(O)CC(=O)N[C@@H](C)C[N@@H+](C)Cc1nc(C)c(C)s1 ZINC001483330703 1190358538 /nfs/dbraw/zinc/35/85/38/1190358538.db2.gz GMKXUEPEWFLUDC-ZBEGNZNMSA-N 1 2 325.478 2.024 10 30 EEEELO C#CCOc1ccc(C(=O)NCC2([NH2+]Cc3cscn3)CC2)cc1 ZINC001670868672 1190606910 /nfs/dbraw/zinc/60/69/10/1190606910.db2.gz ULEQCJMYGWFMAG-UHFFFAOYSA-N 1 2 341.436 2.207 10 30 EEEELO N#Cc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)CC[C@H]2CCOC2)s1 ZINC001483642973 1190706104 /nfs/dbraw/zinc/70/61/04/1190706104.db2.gz VBBQAXZMRKAYHL-UONOGXRCSA-N 1 2 333.457 2.127 10 30 EEEELO N#Cc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)CC[C@H]2CCOC2)s1 ZINC001483642973 1190706106 /nfs/dbraw/zinc/70/61/06/1190706106.db2.gz VBBQAXZMRKAYHL-UONOGXRCSA-N 1 2 333.457 2.127 10 30 EEEELO C#CCO[C@@H](C)C(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1OC(C)C ZINC001483650856 1190709082 /nfs/dbraw/zinc/70/90/82/1190709082.db2.gz YJZWHZLNHKGVOQ-FUHWJXTLSA-N 1 2 344.455 2.203 10 30 EEEELO C#CCO[C@@H](C)C(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1OC(C)C ZINC001483650856 1190709085 /nfs/dbraw/zinc/70/90/85/1190709085.db2.gz YJZWHZLNHKGVOQ-FUHWJXTLSA-N 1 2 344.455 2.203 10 30 EEEELO Cc1cc(CCC(=O)NC[C@@H]2CC[N@@H+]2CC#Cc2ccccc2)no1 ZINC001483678773 1190738344 /nfs/dbraw/zinc/73/83/44/1190738344.db2.gz BXCBQGPVFOAEDD-IBGZPJMESA-N 1 2 337.423 2.158 10 30 EEEELO Cc1cc(CCC(=O)NC[C@@H]2CC[N@H+]2CC#Cc2ccccc2)no1 ZINC001483678773 1190738346 /nfs/dbraw/zinc/73/83/46/1190738346.db2.gz BXCBQGPVFOAEDD-IBGZPJMESA-N 1 2 337.423 2.158 10 30 EEEELO C=C[C@@](C)(O)CC(=O)N(C)C1C[NH+](Cc2ccc3ncccc3c2)C1 ZINC001483859615 1191095415 /nfs/dbraw/zinc/09/54/15/1191095415.db2.gz CAEXDUKHJZRPOX-HXUWFJFHSA-N 1 2 339.439 2.205 10 30 EEEELO C#CCN(C(=O)[C@H](C)CCC)C1CC[NH+]([C@@H](C)c2nncn2C)CC1 ZINC001483982569 1191136832 /nfs/dbraw/zinc/13/68/32/1191136832.db2.gz YRUPYMDKPSMEEI-CVEARBPZSA-N 1 2 345.491 2.239 10 30 EEEELO C=C[C@H](CC)CC(=O)N[C@@]1(C)CC[N@H+](Cc2noc3c2COCC3)C1 ZINC001484057100 1191185225 /nfs/dbraw/zinc/18/52/25/1191185225.db2.gz OMZHHFVTPGXPBW-KUHUBIRLSA-N 1 2 347.459 2.430 10 30 EEEELO C=C[C@H](CC)CC(=O)N[C@@]1(C)CC[N@@H+](Cc2noc3c2COCC3)C1 ZINC001484057100 1191185228 /nfs/dbraw/zinc/18/52/28/1191185228.db2.gz OMZHHFVTPGXPBW-KUHUBIRLSA-N 1 2 347.459 2.430 10 30 EEEELO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H](C)c2c(C)nn(C)c2C)C1 ZINC001484072864 1191193833 /nfs/dbraw/zinc/19/38/33/1191193833.db2.gz CRJLDYMBYMNBFE-YVEFUNNKSA-N 1 2 338.883 2.474 10 30 EEEELO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H](C)c2c(C)nn(C)c2C)C1 ZINC001484072864 1191193835 /nfs/dbraw/zinc/19/38/35/1191193835.db2.gz CRJLDYMBYMNBFE-YVEFUNNKSA-N 1 2 338.883 2.474 10 30 EEEELO CO[C@@H](C)CCC(=O)N[C@H](C)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001409918712 1191432465 /nfs/dbraw/zinc/43/24/65/1191432465.db2.gz MFMIJKPNOOMCFE-UONOGXRCSA-N 1 2 347.434 2.449 10 30 EEEELO C=CCCCCC[N@H+]1CCOC[C@@H]1CNC(=O)c1c(C)nn(C)c1C ZINC001484600525 1191434440 /nfs/dbraw/zinc/43/44/40/1191434440.db2.gz OACVGYXNLFVSFV-KRWDZBQOSA-N 1 2 348.491 2.214 10 30 EEEELO C=CCCCCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1c(C)nn(C)c1C ZINC001484600525 1191434441 /nfs/dbraw/zinc/43/44/41/1191434441.db2.gz OACVGYXNLFVSFV-KRWDZBQOSA-N 1 2 348.491 2.214 10 30 EEEELO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)COc1ccc(C)c(C)c1 ZINC001484608348 1191440479 /nfs/dbraw/zinc/44/04/79/1191440479.db2.gz YSJXJVLOEKJXII-QGZVFWFLSA-N 1 2 332.444 2.075 10 30 EEEELO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)COc1ccc(C)c(C)c1 ZINC001484608348 1191440480 /nfs/dbraw/zinc/44/04/80/1191440480.db2.gz YSJXJVLOEKJXII-QGZVFWFLSA-N 1 2 332.444 2.075 10 30 EEEELO C[C@H](C#N)C(=O)N1CCOC2(C[NH+](CC/C=C\c3ccccc3)C2)C1 ZINC001484773948 1191515360 /nfs/dbraw/zinc/51/53/60/1191515360.db2.gz WMHHFEUQPQKNDC-VWTAQGJOSA-N 1 2 339.439 2.163 10 30 EEEELO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)CCCOc1ccccc1)O2 ZINC001484791608 1191527474 /nfs/dbraw/zinc/52/74/74/1191527474.db2.gz SPPBSCLIEOFFAC-GOSISDBHSA-N 1 2 344.455 2.381 10 30 EEEELO C#CC[N@H+]1Cc2ccc(CNC(=O)CCn3cc(Cl)cn3)cc2C1 ZINC001484876100 1191559794 /nfs/dbraw/zinc/55/97/94/1191559794.db2.gz RDEXNRAMSJHUJO-UHFFFAOYSA-N 1 2 342.830 2.192 10 30 EEEELO C#CC[N@@H+]1Cc2ccc(CNC(=O)CCn3cc(Cl)cn3)cc2C1 ZINC001484876100 1191559797 /nfs/dbraw/zinc/55/97/97/1191559797.db2.gz RDEXNRAMSJHUJO-UHFFFAOYSA-N 1 2 342.830 2.192 10 30 EEEELO C#CCCCC(=O)N1C[C@H]([NH2+]Cc2nc(CCC(C)C)no2)[C@@H](C)C1 ZINC001484886012 1191561936 /nfs/dbraw/zinc/56/19/36/1191561936.db2.gz YJUVSDCCYOITIF-HOTGVXAUSA-N 1 2 346.475 2.398 10 30 EEEELO C=CCC1(C(=O)N2C[C@H](C)[C@H]([NH2+]Cc3nc(C)no3)C2)CCCC1 ZINC001484908848 1191570791 /nfs/dbraw/zinc/57/07/91/1191570791.db2.gz BSGPXGGFBAOANJ-DZGCQCFKSA-N 1 2 332.448 2.451 10 30 EEEELO C#CCCCCCC(=O)N[C@H]1CC[N@@H+](Cc2cn(CC)nn2)[C@H](C)C1 ZINC001484976721 1191593253 /nfs/dbraw/zinc/59/32/53/1191593253.db2.gz NZZJDJXTAMOVEY-SJORKVTESA-N 1 2 345.491 2.351 10 30 EEEELO C#CCCCCCC(=O)N[C@H]1CC[N@H+](Cc2cn(CC)nn2)[C@H](C)C1 ZINC001484976721 1191593254 /nfs/dbraw/zinc/59/32/54/1191593254.db2.gz NZZJDJXTAMOVEY-SJORKVTESA-N 1 2 345.491 2.351 10 30 EEEELO C=C(C)C[NH+]1CC(CCO)(NC(=O)C2(c3ccccc3)CCC2)C1 ZINC001485409350 1191776274 /nfs/dbraw/zinc/77/62/74/1191776274.db2.gz HMWHOPGFKLDOBE-UHFFFAOYSA-N 1 2 328.456 2.237 10 30 EEEELO Cc1cnc([C@H](C)[N@@H+](C)CCN(C(=O)CSCC#N)C(C)C)o1 ZINC001486363251 1193861386 /nfs/dbraw/zinc/86/13/86/1193861386.db2.gz SYGJSDLUVFDVSF-AWEZNQCLSA-N 1 2 338.477 2.470 10 30 EEEELO Cc1cnc([C@H](C)[N@H+](C)CCN(C(=O)CSCC#N)C(C)C)o1 ZINC001486363251 1193861391 /nfs/dbraw/zinc/86/13/91/1193861391.db2.gz SYGJSDLUVFDVSF-AWEZNQCLSA-N 1 2 338.477 2.470 10 30 EEEELO C=CC(C)(C)C(=O)NCC[N@H+](CC#Cc1ccc(F)cc1)CCOC ZINC001486430786 1193949538 /nfs/dbraw/zinc/94/95/38/1193949538.db2.gz LGZLJGHUULCUPG-UHFFFAOYSA-N 1 2 346.446 2.454 10 30 EEEELO C=CC(C)(C)C(=O)NCC[N@@H+](CC#Cc1ccc(F)cc1)CCOC ZINC001486430786 1193949541 /nfs/dbraw/zinc/94/95/41/1193949541.db2.gz LGZLJGHUULCUPG-UHFFFAOYSA-N 1 2 346.446 2.454 10 30 EEEELO CC(C)C#CC(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH2+]Cc2ccon2)C1 ZINC001486451728 1193966884 /nfs/dbraw/zinc/96/68/84/1193966884.db2.gz AYHPTPRQKTWXRV-KBPBESRZSA-N 1 2 343.349 2.203 10 30 EEEELO COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(C2CC2)cc1 ZINC001691677760 1197479487 /nfs/dbraw/zinc/47/94/87/1197479487.db2.gz GFLISIFMINESSN-LJQANCHMSA-N 1 2 326.440 2.360 10 30 EEEELO COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(C2CC2)cc1 ZINC001691677760 1197479490 /nfs/dbraw/zinc/47/94/90/1197479490.db2.gz GFLISIFMINESSN-LJQANCHMSA-N 1 2 326.440 2.360 10 30 EEEELO CC(=O)[C@@](C#N)(CC[N@@H+](C)[C@H]1CCCCN(C)C1=O)c1ccccc1 ZINC000872267054 1198120651 /nfs/dbraw/zinc/12/06/51/1198120651.db2.gz QSSVDSDWSFUAMX-ICSRJNTNSA-N 1 2 341.455 2.370 10 30 EEEELO CC(=O)[C@@](C#N)(CC[N@H+](C)[C@H]1CCCCN(C)C1=O)c1ccccc1 ZINC000872267054 1198120659 /nfs/dbraw/zinc/12/06/59/1198120659.db2.gz QSSVDSDWSFUAMX-ICSRJNTNSA-N 1 2 341.455 2.370 10 30 EEEELO C=C(C)CCC(=O)N1CC[C@@H]([NH+]2CCN(Cc3conc3C)CC2)C1 ZINC001273374059 1198389713 /nfs/dbraw/zinc/38/97/13/1198389713.db2.gz HAWBZKQUXQQGDR-GOSISDBHSA-N 1 2 346.475 2.058 10 30 EEEELO C#CC[C@@H](COC)NC(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000875521163 1199281220 /nfs/dbraw/zinc/28/12/20/1199281220.db2.gz JRHKUXMFCXCJHT-HNNXBMFYSA-N 1 2 349.862 2.036 10 30 EEEELO C#CC[C@@H](COC)NC(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000875521163 1199281223 /nfs/dbraw/zinc/28/12/23/1199281223.db2.gz JRHKUXMFCXCJHT-HNNXBMFYSA-N 1 2 349.862 2.036 10 30 EEEELO C[C@H]([NH2+]CC(C)(C)[C@H]1COCC12OCCO2)c1cccc(C#N)c1O ZINC000866371102 1201501501 /nfs/dbraw/zinc/50/15/01/1201501501.db2.gz DQJWIGRPMRMRMP-XJKSGUPXSA-N 1 2 346.427 2.330 10 30 EEEELO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)C(C)(C)CCC)C1=O ZINC001490801460 1201671753 /nfs/dbraw/zinc/67/17/53/1201671753.db2.gz QGFVJCYVOAPKOO-IXDOHACOSA-N 1 2 347.503 2.275 10 30 EEEELO C=CCN1CC[C@@H]([N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)C(C)(C)CCC)C1=O ZINC001490801460 1201671755 /nfs/dbraw/zinc/67/17/55/1201671755.db2.gz QGFVJCYVOAPKOO-IXDOHACOSA-N 1 2 347.503 2.275 10 30 EEEELO C=CCCc1ccc(S(=O)(=O)N[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000882086043 1201813447 /nfs/dbraw/zinc/81/34/47/1201813447.db2.gz IHCSHKRQTRKBFI-OAHLLOKOSA-N 1 2 331.441 2.295 10 30 EEEELO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(CC)Cc1ccc(Cl)s1 ZINC000884057080 1202216930 /nfs/dbraw/zinc/21/69/30/1202216930.db2.gz UNPJRYRPXHUEIS-NSHDSACASA-N 1 2 330.837 2.197 10 30 EEEELO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC1(c2ccc(F)cc2)CCCC1 ZINC000884089822 1202229247 /nfs/dbraw/zinc/22/92/47/1202229247.db2.gz BAEACMAGTZPEIP-INIZCTEOSA-N 1 2 348.418 2.200 10 30 EEEELO CC#CC[N@@H+]1Cc2ccc(CNC(=O)C(C)(C)c3c[nH]cn3)cc2C1 ZINC001274037176 1204340358 /nfs/dbraw/zinc/34/03/58/1204340358.db2.gz VNHFZKZQWJDASY-UHFFFAOYSA-N 1 2 336.439 2.343 10 30 EEEELO CC#CC[N@H+]1Cc2ccc(CNC(=O)C(C)(C)c3c[nH]cn3)cc2C1 ZINC001274037176 1204340361 /nfs/dbraw/zinc/34/03/61/1204340361.db2.gz VNHFZKZQWJDASY-UHFFFAOYSA-N 1 2 336.439 2.343 10 30 EEEELO C#CC[N@H+]1Cc2ccc(CNC(=O)Cc3ccccc3C#C)cc2C1 ZINC001274037582 1204340661 /nfs/dbraw/zinc/34/06/61/1204340661.db2.gz ZLJKAJBBWGGTAA-UHFFFAOYSA-N 1 2 328.415 2.476 10 30 EEEELO C#CC[N@@H+]1Cc2ccc(CNC(=O)Cc3ccccc3C#C)cc2C1 ZINC001274037582 1204340666 /nfs/dbraw/zinc/34/06/66/1204340666.db2.gz ZLJKAJBBWGGTAA-UHFFFAOYSA-N 1 2 328.415 2.476 10 30 EEEELO C=CC[C@@H](CO)CNC(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000889554055 1204650669 /nfs/dbraw/zinc/65/06/69/1204650669.db2.gz PZZZBVRQSJIMHM-BZUAXINKSA-N 1 2 332.448 2.289 10 30 EEEELO C#Cc1ccccc1CC(=O)N[C@H](C)C[N@H+](C)Cc1nc(C)c(C)o1 ZINC001275706162 1205492118 /nfs/dbraw/zinc/49/21/18/1205492118.db2.gz DTSUULDXVNQGJV-CQSZACIVSA-N 1 2 339.439 2.452 10 30 EEEELO C#Cc1ccccc1CC(=O)N[C@H](C)C[N@@H+](C)Cc1nc(C)c(C)o1 ZINC001275706162 1205492120 /nfs/dbraw/zinc/49/21/20/1205492120.db2.gz DTSUULDXVNQGJV-CQSZACIVSA-N 1 2 339.439 2.452 10 30 EEEELO C=CCCC(=O)NC[C@@H](C)[N@H+](C)Cc1ccn(CC(F)(F)F)n1 ZINC001275779987 1205523561 /nfs/dbraw/zinc/52/35/61/1205523561.db2.gz AUUSECKJMZMKOU-GFCCVEGCSA-N 1 2 332.370 2.348 10 30 EEEELO C=CCCC(=O)NC[C@@H](C)[N@@H+](C)Cc1ccn(CC(F)(F)F)n1 ZINC001275779987 1205523562 /nfs/dbraw/zinc/52/35/62/1205523562.db2.gz AUUSECKJMZMKOU-GFCCVEGCSA-N 1 2 332.370 2.348 10 30 EEEELO C=CCCO[C@@H](C)C(=O)N[C@@H](C)C1C[NH+](Cc2ncc(C)s2)C1 ZINC001276350711 1213882492 /nfs/dbraw/zinc/88/24/92/1213882492.db2.gz NXHUQMJLAITRBH-KBPBESRZSA-N 1 2 337.489 2.369 10 30 EEEELO C#C[C@H]([NH2+]Cc1csc(N(C(C)=O)C2CC2)n1)C1CCOCC1 ZINC000827570658 1248464809 /nfs/dbraw/zinc/46/48/09/1248464809.db2.gz PROVRCWRDYTYKN-INIZCTEOSA-N 1 2 333.457 2.176 10 30 EEEELO C#CC[N@@H+](CC(=O)N1CCO[C@H]2CCCC[C@H]21)Cc1ccccc1 ZINC000796634015 1252377471 /nfs/dbraw/zinc/37/74/71/1252377471.db2.gz XBNVEAWFAKIRKK-MOPGFXCFSA-N 1 2 326.440 2.292 10 30 EEEELO C#CC[N@H+](CC(=O)N1CCO[C@H]2CCCC[C@H]21)Cc1ccccc1 ZINC000796634015 1252377480 /nfs/dbraw/zinc/37/74/80/1252377480.db2.gz XBNVEAWFAKIRKK-MOPGFXCFSA-N 1 2 326.440 2.292 10 30 EEEELO C#Cc1cccc(NC(=O)C[N@H+]2CCCC[C@@H]2CNC(=O)C(C)C)c1 ZINC001491196156 1258761122 /nfs/dbraw/zinc/76/11/22/1258761122.db2.gz GHAZCNGYDQDMQL-GOSISDBHSA-N 1 2 341.455 2.233 10 30 EEEELO C#Cc1cccc(NC(=O)C[N@@H+]2CCCC[C@@H]2CNC(=O)C(C)C)c1 ZINC001491196156 1258761126 /nfs/dbraw/zinc/76/11/26/1258761126.db2.gz GHAZCNGYDQDMQL-GOSISDBHSA-N 1 2 341.455 2.233 10 30 EEEELO C#CCN1CCCC[C@@H]1CNC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001491229583 1258818183 /nfs/dbraw/zinc/81/81/83/1258818183.db2.gz IRNAUXFNRNBPOH-MOPGFXCFSA-N 1 2 327.472 2.283 10 30 EEEELO C#CCN1CCCC[C@@H]1CNC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001491229583 1258818192 /nfs/dbraw/zinc/81/81/92/1258818192.db2.gz IRNAUXFNRNBPOH-MOPGFXCFSA-N 1 2 327.472 2.283 10 30 EEEELO C#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H](c1ccccc1)N(C)CC ZINC001491229583 1258818198 /nfs/dbraw/zinc/81/81/98/1258818198.db2.gz IRNAUXFNRNBPOH-MOPGFXCFSA-N 1 2 327.472 2.283 10 30 EEEELO C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](c1ccccc1)N(C)CC ZINC001491229583 1258818203 /nfs/dbraw/zinc/81/82/03/1258818203.db2.gz IRNAUXFNRNBPOH-MOPGFXCFSA-N 1 2 327.472 2.283 10 30 EEEELO C=CCCO[C@H](C)C(=O)N[C@H]1COC2(C[NH+](Cc3ccccc3)C2)C1 ZINC001273685996 1283339301 /nfs/dbraw/zinc/33/93/01/1283339301.db2.gz OGAHVFCHDHXTAT-SJLPKXTDSA-N 1 2 344.455 2.127 10 30 EEEELO C=CCC1(C(=O)N[C@@H]2C[C@H](C)N(C(=O)Cn3cc[nH+]c3)C2)CCCC1 ZINC001488195581 1286942601 /nfs/dbraw/zinc/94/26/01/1286942601.db2.gz JCZWZLVVKNKHML-JKSUJKDBSA-N 1 2 344.459 2.125 10 30 EEEELO C=CCC(C)(C)C(=O)N(C)C[C@@H]1CC[N@H+]1CC(=O)N(CC)C1CC1 ZINC001488667037 1290118516 /nfs/dbraw/zinc/11/85/16/1290118516.db2.gz KTFBVZJXHLBBND-INIZCTEOSA-N 1 2 335.492 2.132 10 30 EEEELO C=CCC(C)(C)C(=O)N(C)C[C@@H]1CC[N@@H+]1CC(=O)N(CC)C1CC1 ZINC001488667037 1290118519 /nfs/dbraw/zinc/11/85/19/1290118519.db2.gz KTFBVZJXHLBBND-INIZCTEOSA-N 1 2 335.492 2.132 10 30 EEEELO C=CCC(C)(C)C(=O)NC[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@H]1C ZINC001488721648 1290149759 /nfs/dbraw/zinc/14/97/59/1290149759.db2.gz QCPRMVYENYYPTI-HZPDHXFCSA-N 1 2 346.475 2.086 10 30 EEEELO C#CC[NH2+]Cc1nc2c(s1)CCN(C(=O)Cc1cccc(C)c1)C2 ZINC001489337027 1290521390 /nfs/dbraw/zinc/52/13/90/1290521390.db2.gz GKENMMUFYJQLHO-UHFFFAOYSA-N 1 2 339.464 2.302 10 30 EEEELO CC#CC[NH2+]Cc1nc2c(s1)CCN(C(=O)[C@@H](C)CCCOC)C2 ZINC001489338062 1290522918 /nfs/dbraw/zinc/52/29/18/1290522918.db2.gz WSBHTEJCTJRGLG-AWEZNQCLSA-N 1 2 349.500 2.203 10 30 EEEELO C=C1CC(C)(C(=O)N2C[C@@H](C)[C@H](NC(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC001489453489 1290569803 /nfs/dbraw/zinc/56/98/03/1290569803.db2.gz SPXNMWKYXDMODA-BZUAXINKSA-N 1 2 344.459 2.154 10 30 EEEELO C=C[C@](C)(CC)C(=O)N(C)C[C@@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001490142986 1290967536 /nfs/dbraw/zinc/96/75/36/1290967536.db2.gz KAFBSESPLLSBLX-HNAYVOBHSA-N 1 2 346.475 2.394 10 30 EEEELO C=C[C@@H](CC)CC(=O)N1C[C@@H](CNC(=O)CCn2cc[nH+]c2)[C@H](C)C1 ZINC001490339791 1291240534 /nfs/dbraw/zinc/24/05/34/1291240534.db2.gz HUGJQRBAAMVCHM-IXDOHACOSA-N 1 2 346.475 2.086 10 30 EEEELO CC#CCN1CC[NH+](CCNC(=O)CC/C=C/c2ccccc2)CC1 ZINC001490505128 1291426431 /nfs/dbraw/zinc/42/64/31/1291426431.db2.gz KSGZHVMGHDLFSB-YRNVUSSQSA-N 1 2 339.483 2.237 10 30 EEEELO 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C#CCCCCC(=O)N1C[C@@H]([NH2+]Cc2nnc(C3CC3)o2)C(C)(C)C1 ZINC001486230945 1193747709 /nfs/dbraw/zinc/74/77/09/1193747709.db2.gz JYEYTPNKSDFUAV-OAHLLOKOSA-N 1 2 344.459 2.467 10 30 EEEELO C=C1CC(C)(C(=O)N2CCC[C@H]2CN(C)C(=O)CCn2cc[nH+]c2)C1 ZINC001486571743 1194089699 /nfs/dbraw/zinc/08/96/99/1194089699.db2.gz WQEIAZJBXZCQPV-INIZCTEOSA-N 1 2 344.459 2.079 10 30 EEEELO C=CC(C)(C)C(=O)N(C)CC(C)(C)CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001486768003 1194238878 /nfs/dbraw/zinc/23/88/78/1194238878.db2.gz HJJQJGGRBRFTFM-CQSZACIVSA-N 1 2 348.491 2.401 10 30 EEEELO C=CC(C)(C)C(=O)N(C)CC(C)(C)CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001486768003 1194238880 /nfs/dbraw/zinc/23/88/80/1194238880.db2.gz HJJQJGGRBRFTFM-CQSZACIVSA-N 1 2 348.491 2.401 10 30 EEEELO CCCc1noc(C[NH2+]C[C@H]2CCCCN2C(=O)C#CC(C)C)n1 ZINC001272960640 1194269397 /nfs/dbraw/zinc/26/93/97/1194269397.db2.gz DPCIFZSNLZTNIR-OAHLLOKOSA-N 1 2 332.448 2.152 10 30 EEEELO C=C(C)CCC(=O)N[C@H]1CCC[N@H+](Cc2nnc3n2CCCC3)CC1 ZINC001273417045 1198735830 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EEEELO C#CCOc1ccccc1C[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000122949009 1200479056 /nfs/dbraw/zinc/47/90/56/1200479056.db2.gz PDDLBTNKISPIHY-UHFFFAOYSA-N 1 2 332.407 2.287 10 30 EEEELO C#CCC1(O)CC[NH+](CC(=O)Nc2nc3ccccc3s2)CC1 ZINC000880480728 1201498887 /nfs/dbraw/zinc/49/88/87/1201498887.db2.gz DEMOIIIVZKPIMG-UHFFFAOYSA-N 1 2 329.425 2.085 10 30 EEEELO C#CCC1(O)CC[NH+]([C@@H](C)C(=O)Nc2ccc(C(C)=O)cc2)CC1 ZINC000880480378 1201499028 /nfs/dbraw/zinc/49/90/28/1201499028.db2.gz QYWBENRTHNXCTB-AWEZNQCLSA-N 1 2 328.412 2.066 10 30 EEEELO C=CCCCCCN(C)C(=O)C(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC000867491870 1201622271 /nfs/dbraw/zinc/62/22/71/1201622271.db2.gz VQCKUKZKUKGGFT-SFHVURJKSA-N 1 2 343.471 2.494 10 30 EEEELO C=CCCCCCN(C)C(=O)C(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC000867491870 1201622273 /nfs/dbraw/zinc/62/22/73/1201622273.db2.gz VQCKUKZKUKGGFT-SFHVURJKSA-N 1 2 343.471 2.494 10 30 EEEELO C=C(Cl)CNC(=O)NC[C@H]1C[N@H+](Cc2cccc(C)c2)CCO1 ZINC000868274647 1201780908 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EEEELO C[C@@H](NC(=O)C#CC1CC1)[C@H]1CCC[N@H+](Cc2nc(C3CC3)no2)C1 ZINC001491289096 1258909441 /nfs/dbraw/zinc/90/94/41/1258909441.db2.gz YLIGMCUWAKQERN-CJNGLKHVSA-N 1 2 342.443 2.077 10 30 EEEELO C[C@@H](NC(=O)C#CC1CC1)[C@H]1CCC[N@@H+](Cc2nc(C3CC3)no2)C1 ZINC001491289096 1258909452 /nfs/dbraw/zinc/90/94/52/1258909452.db2.gz YLIGMCUWAKQERN-CJNGLKHVSA-N 1 2 342.443 2.077 10 30 EEEELO C=CC(C)(C)C(=O)NCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(OC)cc1 ZINC001267211351 1276638019 /nfs/dbraw/zinc/63/80/19/1276638019.db2.gz DQTZZTQZYIYZBP-AWEZNQCLSA-N 1 2 347.459 2.282 10 30 EEEELO C=CC(C)(C)C(=O)NCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(OC)cc1 ZINC001267211351 1276638033 /nfs/dbraw/zinc/63/80/33/1276638033.db2.gz DQTZZTQZYIYZBP-AWEZNQCLSA-N 1 2 347.459 2.282 10 30 EEEELO C#CCCCCC(=O)N1CCOC2(C[NH+](CCc3cccs3)C2)C1 ZINC001273614174 1281210365 /nfs/dbraw/zinc/21/03/65/1281210365.db2.gz QSNCJVHTQOFPRR-UHFFFAOYSA-N 1 2 346.496 2.397 10 30 EEEELO C=C[C@@H](CC)CC(=O)N1CC2(C1)CCN(C(=O)CCc1c[nH]c[nH+]1)C2 ZINC001488840152 1290260385 /nfs/dbraw/zinc/26/03/85/1290260385.db2.gz SIYMIGRJOMKWTI-HNNXBMFYSA-N 1 2 344.459 2.006 10 30 EEEELO C=C[C@@H](CC)CC(=O)N1CC2(C1)CCN(C(=O)CCc1c[nH+]c[nH]1)C2 ZINC001488840152 1290260392 /nfs/dbraw/zinc/26/03/92/1290260392.db2.gz SIYMIGRJOMKWTI-HNNXBMFYSA-N 1 2 344.459 2.006 10 30 EEEELO C=C[C@@](C)(O)CC(=O)N[C@H]1CC[N@@H+](Cc2ncoc2C(C)C)[C@@H]1C ZINC001489260403 1290470014 /nfs/dbraw/zinc/47/00/14/1290470014.db2.gz DQMPOXRDYDDHJW-QWQRMKEZSA-N 1 2 335.448 2.204 10 30 EEEELO C=C[C@@](C)(O)CC(=O)N[C@H]1CC[N@H+](Cc2ncoc2C(C)C)[C@@H]1C ZINC001489260403 1290470019 /nfs/dbraw/zinc/47/00/19/1290470019.db2.gz DQMPOXRDYDDHJW-QWQRMKEZSA-N 1 2 335.448 2.204 10 30 EEEELO C=CCCC(=O)NCC[NH+]1CCN(C/C=C/c2ccccc2)CC1 ZINC001490485286 1291376008 /nfs/dbraw/zinc/37/60/08/1291376008.db2.gz RAXBPURYUPBIAY-JXMROGBWSA-N 1 2 327.472 2.400 10 30 EEEELO C=CCCC(=O)N[C@H]1CC12CC[NH+](Cc1nc(C3CC3)no1)CC2 ZINC001490587548 1291483373 /nfs/dbraw/zinc/48/33/73/1291483373.db2.gz NNABUPRGDGURSY-AWEZNQCLSA-N 1 2 330.432 2.384 10 30 EEEELO Cc1nc([C@@H](C)[NH+]2CCC3(C[C@H]3NC(=O)C#CC(C)C)CC2)no1 ZINC001490590677 1291491308 /nfs/dbraw/zinc/49/13/08/1291491308.db2.gz PWLMNFBNCFQTJR-UKRRQHHQSA-N 1 2 330.432 2.069 10 30 EEEELO C=CC(C)(C)NC(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000929500254 1297079368 /nfs/dbraw/zinc/07/93/68/1297079368.db2.gz SFOWHOPHQLWFHB-UHFFFAOYSA-N 1 2 330.432 2.160 10 30 EEEELO C#CCCCC(=O)NC[C@@H]1CC[N@@H+]1Cc1cccc2nsnc21 ZINC001276841983 1299884593 /nfs/dbraw/zinc/88/45/93/1299884593.db2.gz IZRXUQMDPRYFIZ-AWEZNQCLSA-N 1 2 328.441 2.185 10 30 EEEELO C#CCCCC(=O)NC[C@@H]1CC[N@H+]1Cc1cccc2nsnc21 ZINC001276841983 1299884598 /nfs/dbraw/zinc/88/45/98/1299884598.db2.gz IZRXUQMDPRYFIZ-AWEZNQCLSA-N 1 2 328.441 2.185 10 30 EEEELO C=CCOCC[NH+]1CC(N(C)C(=O)c2c(F)cccc2Cl)C1 ZINC001277686550 1304185520 /nfs/dbraw/zinc/18/55/20/1304185520.db2.gz NBEMQWOZBDANNQ-UHFFFAOYSA-N 1 2 326.799 2.438 10 30 EEEELO C=CCC1(C(=O)N(C)C2C[NH+](CCn3nc(C)nc3C)C2)CCCC1 ZINC001277714771 1304244947 /nfs/dbraw/zinc/24/49/47/1304244947.db2.gz OBWQBTZRTMWVDO-UHFFFAOYSA-N 1 2 345.491 2.174 10 30 EEEELO C#CCN(C(=O)[C@H](C)CC)C1CC[NH+](Cc2cc3n(n2)CCC3)CC1 ZINC001278121729 1306005008 /nfs/dbraw/zinc/00/50/08/1306005008.db2.gz LGAHHCGYZNNZNS-MRXNPFEDSA-N 1 2 342.487 2.302 10 30 EEEELO C=CC(C)(C)C(=O)NC[C@H](CO)[NH2+][C@@H](C)c1ncc(C(C)(C)C)o1 ZINC001278127568 1306032488 /nfs/dbraw/zinc/03/24/88/1306032488.db2.gz ARSDLIGKHLEVPF-QWHCGFSZSA-N 1 2 337.464 2.312 10 30 EEEELO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1CC[C@@H](C)[C@@H](OC)C1 ZINC001122490102 1310308760 /nfs/dbraw/zinc/30/87/60/1310308760.db2.gz FSHGPVCPESAFOA-CABCVRRESA-N 1 2 344.463 2.040 10 30 EEEELO C=CC(C)(C)C(=O)N(C)C[C@@H](O)C[N@H+](C)Cc1nc(C)sc1C ZINC001278868740 1318434781 /nfs/dbraw/zinc/43/47/81/1318434781.db2.gz HXZLKXBWPQOSBV-AWEZNQCLSA-N 1 2 339.505 2.223 10 30 EEEELO C=CC(C)(C)C(=O)N(C)C[C@@H](O)C[N@@H+](C)Cc1nc(C)sc1C ZINC001278868740 1318434788 /nfs/dbraw/zinc/43/47/88/1318434788.db2.gz HXZLKXBWPQOSBV-AWEZNQCLSA-N 1 2 339.505 2.223 10 30 EEEELO C#CCC[NH+]1CC(O)(CNC(=O)c2ccccc2C(C)(C)CC)C1 ZINC001278877568 1318506915 /nfs/dbraw/zinc/50/69/15/1318506915.db2.gz OHZWDTAOWNDWOY-UHFFFAOYSA-N 1 2 328.456 2.174 10 30 EEEELO C#CCC1(C(=O)NCC2(O)C[NH+](Cc3ccccc3)C2)CCCCC1 ZINC001278936520 1318735848 /nfs/dbraw/zinc/73/58/48/1318735848.db2.gz JFIPXEPMPFDBRT-UHFFFAOYSA-N 1 2 340.467 2.323 10 30 EEEELO COCC[N@H+](CCNC(=O)C1(C)CC=CC1)Cc1ccccc1C#N ZINC001279050951 1319084692 /nfs/dbraw/zinc/08/46/92/1319084692.db2.gz ZPRWRISYUKQWIW-UHFFFAOYSA-N 1 2 341.455 2.479 10 30 EEEELO COCC[N@@H+](CCNC(=O)C1(C)CC=CC1)Cc1ccccc1C#N ZINC001279050951 1319084697 /nfs/dbraw/zinc/08/46/97/1319084697.db2.gz ZPRWRISYUKQWIW-UHFFFAOYSA-N 1 2 341.455 2.479 10 30 EEEELO C=C(C)C[C@@H](C)C(=O)N[C@H]1CCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001293893533 1328835469 /nfs/dbraw/zinc/83/54/69/1328835469.db2.gz YQXIRONZQBFGIG-CVEARBPZSA-N 1 2 346.475 2.062 10 30 EEEELO C=CCCC(=O)NC[C@]1(C)CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001299628152 1319730223 /nfs/dbraw/zinc/73/02/23/1319730223.db2.gz VXASKFYMBWIFAM-IBGZPJMESA-N 1 2 340.427 2.269 10 30 EEEELO C=C(C)CCC(=O)N1CCC[C@](C)(CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001299699833 1319954171 /nfs/dbraw/zinc/95/41/71/1319954171.db2.gz ULAKKYLPNCDXMY-LJQANCHMSA-N 1 2 346.475 2.362 10 30 EEEELO C=CC[C@@H](NC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F)C(=O)OCC ZINC001262016303 1322222772 /nfs/dbraw/zinc/22/27/72/1322222772.db2.gz QJTCXPSYWQTQGA-GHMZBOCLSA-N 1 2 333.310 2.001 10 30 EEEELO C#CCCCCCC(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1cnc(C)cn1 ZINC001263806801 1322518912 /nfs/dbraw/zinc/51/89/12/1322518912.db2.gz FNSYPHMPNSAVCO-SFHVURJKSA-N 1 2 328.460 2.401 10 30 EEEELO C#CCCCCCC(=O)N(C)C[C@@H]1CC[N@H+]1Cc1cnc(C)cn1 ZINC001263806801 1322518915 /nfs/dbraw/zinc/51/89/15/1322518915.db2.gz FNSYPHMPNSAVCO-SFHVURJKSA-N 1 2 328.460 2.401 10 30 EEEELO COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C)Cc1ccc(F)cc1 ZINC001263822738 1322528075 /nfs/dbraw/zinc/52/80/75/1322528075.db2.gz AXZGPJHHOPAXCV-LPHOPBHVSA-N 1 2 346.446 2.187 10 30 EEEELO COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C)Cc1ccc(F)cc1 ZINC001263822738 1322528079 /nfs/dbraw/zinc/52/80/79/1322528079.db2.gz AXZGPJHHOPAXCV-LPHOPBHVSA-N 1 2 346.446 2.187 10 30 EEEELO C=C[C@@H](CC)CC(=O)N1C[C@@H]2C[N@@H+](Cc3nncs3)CC[C@@H]2C1 ZINC001264094665 1322618067 /nfs/dbraw/zinc/61/80/67/1322618067.db2.gz OZUUTZWEDNMGDH-ZNMIVQPWSA-N 1 2 334.489 2.421 10 30 EEEELO C=C[C@@H](CC)CC(=O)N1C[C@@H]2C[N@H+](Cc3nncs3)CC[C@@H]2C1 ZINC001264094665 1322618072 /nfs/dbraw/zinc/61/80/72/1322618072.db2.gz OZUUTZWEDNMGDH-ZNMIVQPWSA-N 1 2 334.489 2.421 10 30 EEEELO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC1(C)C ZINC001264368381 1322676256 /nfs/dbraw/zinc/67/62/56/1322676256.db2.gz DVPVBZCUCAYSKD-DLBZAZTESA-N 1 2 349.519 2.380 10 30 EEEELO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC1(C)C ZINC001264368381 1322676262 /nfs/dbraw/zinc/67/62/62/1322676262.db2.gz DVPVBZCUCAYSKD-DLBZAZTESA-N 1 2 349.519 2.380 10 30 EEEELO C=CCC(CC=C)C(=O)N1CCCC[C@H]1C[N@@H+](C)Cc1cn(C)nn1 ZINC001264740615 1322797386 /nfs/dbraw/zinc/79/73/86/1322797386.db2.gz YZLKUXDLIWTAIC-SFHVURJKSA-N 1 2 345.491 2.396 10 30 EEEELO C=CCC(CC=C)C(=O)N1CCCC[C@H]1C[N@H+](C)Cc1cn(C)nn1 ZINC001264740615 1322797390 /nfs/dbraw/zinc/79/73/90/1322797390.db2.gz YZLKUXDLIWTAIC-SFHVURJKSA-N 1 2 345.491 2.396 10 30 EEEELO C=CCCC(=O)N[C@H]1CC[N@H+](CC(=O)Nc2ccc3c(c2)CCC3)C1 ZINC001265275350 1323026827 /nfs/dbraw/zinc/02/68/27/1323026827.db2.gz NURHEIHIQWCYRH-SFHVURJKSA-N 1 2 341.455 2.271 10 30 EEEELO C=CCCC(=O)N[C@H]1CC[N@@H+](CC(=O)Nc2ccc3c(c2)CCC3)C1 ZINC001265275350 1323026831 /nfs/dbraw/zinc/02/68/31/1323026831.db2.gz NURHEIHIQWCYRH-SFHVURJKSA-N 1 2 341.455 2.271 10 30 EEEELO C=CCCC(=O)N[C@H]1CC12CC[NH+](Cc1nc([C@@H](C)OC)no1)CC2 ZINC001265324420 1323074282 /nfs/dbraw/zinc/07/42/82/1323074282.db2.gz ZGZZUFHICVHOSC-KGLIPLIRSA-N 1 2 348.447 2.214 10 30 EEEELO C#CCCCCCC(=O)NC[C@@H]1CCC[N@H+](Cc2cnns2)C1 ZINC001265588382 1323244327 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C#CCC[N@@H+]1CCOC[C@H]1CNC(=O)CCc1ccc(C)c(Cl)c1 ZINC001280413136 1324209636 /nfs/dbraw/zinc/20/96/36/1324209636.db2.gz WUXRRFCVRPPOPZ-QGZVFWFLSA-N 1 2 348.874 2.421 10 30 EEEELO C=C(C)CCC(=O)N1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001294777450 1329145086 /nfs/dbraw/zinc/14/50/86/1329145086.db2.gz WTZOCVOMSCNBBQ-AWEZNQCLSA-N 1 2 326.400 2.021 10 30 EEEELO C=C[C@@](C)(CC)C(=O)N[C@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001294807898 1329153692 /nfs/dbraw/zinc/15/36/92/1329153692.db2.gz XIYGMMUVRDZSAW-UGSOOPFHSA-N 1 2 332.448 2.007 10 30 EEEELO C=C(C)CCC(=O)N[C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC1(C)C ZINC001280675893 1324398148 /nfs/dbraw/zinc/39/81/48/1324398148.db2.gz YIPPRJJMOSXARO-AWEZNQCLSA-N 1 2 332.448 2.052 10 30 EEEELO C=CCC1(C(=O)N[C@H]2CCC[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)CCC1 ZINC001280737908 1324461427 /nfs/dbraw/zinc/46/14/27/1324461427.db2.gz CVHTVAMTWNCTTH-GJZGRUSLSA-N 1 2 344.459 2.242 10 30 EEEELO CCCCCCC[NH+]1CC2(C1)CN(C(=O)c1cc(C)ncn1)CCO2 ZINC001280890877 1324613073 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O=C([C@H]1CCCC[N@H+]1CC#Cc1ccccc1Cl)N1CCOCC1 ZINC000135033785 463110556 /nfs/dbraw/zinc/11/05/56/463110556.db2.gz BOOBRUQVEILUHH-GOSISDBHSA-N 1 2 346.858 2.405 10 30 EEEELO O=C([C@H]1CCCC[N@@H+]1CC#Cc1ccccc1Cl)N1CCOCC1 ZINC000135033785 463110561 /nfs/dbraw/zinc/11/05/61/463110561.db2.gz BOOBRUQVEILUHH-GOSISDBHSA-N 1 2 346.858 2.405 10 30 EEEELO C[C@H](O)CNc1[nH+]c2ccccc2n1CC(=O)Nc1ccc(C#N)cc1 ZINC000028914848 463236573 /nfs/dbraw/zinc/23/65/73/463236573.db2.gz PEJFDZKEAHLCGY-ZDUSSCGKSA-N 1 2 349.394 2.339 10 30 EEEELO CCN(CC)C(=O)C1CC[NH+](CC(=O)Nc2sccc2C#N)CC1 ZINC000058956376 463636183 /nfs/dbraw/zinc/63/61/83/463636183.db2.gz CCJZSOUJAQYEJR-UHFFFAOYSA-N 1 2 348.472 2.139 10 30 EEEELO CSc1nc(C2CC2)cc(C(=O)NCCc2cn(C)c[nH+]2)c1C#N ZINC000568839599 468393238 /nfs/dbraw/zinc/39/32/38/468393238.db2.gz GJLOBHXAOGUPSM-UHFFFAOYSA-N 1 2 341.440 2.259 10 30 EEEELO Cc1cn2c([nH+]1)C[C@@H](C(=O)NCc1cc(F)c(C#N)c(F)c1)CC2 ZINC000599898558 468410892 /nfs/dbraw/zinc/41/08/92/468410892.db2.gz HVSXRFVBQLEEOL-LBPRGKRZSA-N 1 2 330.338 2.220 10 30 EEEELO C[C@@H](c1cccc(F)c1)[NH+]1CCN(S(=O)(=O)CCCC#N)CC1 ZINC000182499730 464669113 /nfs/dbraw/zinc/66/91/13/464669113.db2.gz JPJACMDGTUAXLR-AWEZNQCLSA-N 1 2 339.436 2.138 10 30 EEEELO CN(C)c1[nH+]cccc1O[C@@H]1CCN(C(=O)c2cccc(C#N)c2)C1 ZINC000275707733 464785759 /nfs/dbraw/zinc/78/57/59/464785759.db2.gz SAAYAWYFNFFHOQ-MRXNPFEDSA-N 1 2 336.395 2.313 10 30 EEEELO C[C@H](NC([O-])=[NH+][C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1)[C@@H]1CCOC1 ZINC000329451326 465338672 /nfs/dbraw/zinc/33/86/72/465338672.db2.gz LZZPASRDMYBNIP-BFHYXJOUSA-N 1 2 334.464 2.424 10 30 EEEELO C[C@H]([NH+]=C([O-])N[C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1)[C@@H]1CCOC1 ZINC000329451326 465338675 /nfs/dbraw/zinc/33/86/75/465338675.db2.gz LZZPASRDMYBNIP-BFHYXJOUSA-N 1 2 334.464 2.424 10 30 EEEELO C[C@@H](O)CNc1[nH+]c2ccccc2n1CCOc1cccc(C#N)c1 ZINC000360284854 465552528 /nfs/dbraw/zinc/55/25/28/465552528.db2.gz HTGRWZOTBWPHKD-CQSZACIVSA-N 1 2 336.395 2.780 10 30 EEEELO C[C@H](CNC(=O)C1(c2cc(F)cc(C#N)c2)CC1)Cn1cc[nH+]c1 ZINC000353370461 465836228 /nfs/dbraw/zinc/83/62/28/465836228.db2.gz OFOULHYSAQBQDA-CYBMUJFWSA-N 1 2 326.375 2.378 10 30 EEEELO CC(=O)c1ccc(C#N)cc1N1CCN(C2=[NH+]C[C@H](C)S2)CC1 ZINC000302035521 466084245 /nfs/dbraw/zinc/08/42/45/466084245.db2.gz FHIPPJSWUHQYEA-LBPRGKRZSA-N 1 2 328.441 2.374 10 30 EEEELO CCOC(=O)C[C@@H](NCc1c[nH+]c2ccc(C#N)cn12)C(F)(F)F ZINC000597193808 468477611 /nfs/dbraw/zinc/47/76/11/468477611.db2.gz XUYKSNIXXPNJLE-GFCCVEGCSA-N 1 2 340.305 2.180 10 30 EEEELO C=C(CNC(=O)C(=O)Nc1ccc2[nH+]c(C)cn2c1)c1ccccc1 ZINC000357659360 466207679 /nfs/dbraw/zinc/20/76/79/466207679.db2.gz WIEYWPXTWQXPMG-UHFFFAOYSA-N 1 2 334.379 2.411 10 30 EEEELO CC1(C#N)CCN(C(=O)NC2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000368037841 466571458 /nfs/dbraw/zinc/57/14/58/466571458.db2.gz UICJAJOXLVAEFB-UHFFFAOYSA-N 1 2 327.432 2.386 10 30 EEEELO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000370236758 466808310 /nfs/dbraw/zinc/80/83/10/466808310.db2.gz ROKDMHYBRNBHTD-AEFFLSMTSA-N 1 2 336.395 2.442 10 30 EEEELO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000370236758 466808313 /nfs/dbraw/zinc/80/83/13/466808313.db2.gz ROKDMHYBRNBHTD-AEFFLSMTSA-N 1 2 336.395 2.442 10 30 EEEELO Cc1nn(C)c(C)c1[C@H]1COCC[N@@H+]1CCOc1ccccc1C#N ZINC000374483478 467058241 /nfs/dbraw/zinc/05/82/41/467058241.db2.gz WBVYJLNPBIKFFN-QGZVFWFLSA-N 1 2 340.427 2.361 10 30 EEEELO Cc1nn(C)c(C)c1[C@H]1COCC[N@H+]1CCOc1ccccc1C#N ZINC000374483478 467058245 /nfs/dbraw/zinc/05/82/45/467058245.db2.gz WBVYJLNPBIKFFN-QGZVFWFLSA-N 1 2 340.427 2.361 10 30 EEEELO Cc1[nH]c2ccc(NS(=O)(=O)c3cnc(C)c(C#N)c3)cc2[nH+]1 ZINC000427745528 467175720 /nfs/dbraw/zinc/17/57/20/467175720.db2.gz DIBDPLLHGMYOJR-UHFFFAOYSA-N 1 2 327.369 2.247 10 30 EEEELO CC[C@@H]1C[N@H+](CC)CCN1S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000451928263 467286125 /nfs/dbraw/zinc/28/61/25/467286125.db2.gz DARWJZWMQVVFEV-CYBMUJFWSA-N 1 2 341.864 2.316 10 30 EEEELO CC[C@@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000451928263 467286129 /nfs/dbraw/zinc/28/61/29/467286129.db2.gz DARWJZWMQVVFEV-CYBMUJFWSA-N 1 2 341.864 2.316 10 30 EEEELO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000437754784 467557383 /nfs/dbraw/zinc/55/73/83/467557383.db2.gz WQKQSJPZPAPTKY-DGCLKSJQSA-N 1 2 346.353 2.226 10 30 EEEELO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)Cc1cc(Cl)ccc1F ZINC000444705547 467583226 /nfs/dbraw/zinc/58/32/26/467583226.db2.gz NDIJMKHDTZFRAZ-SNVBAGLBSA-N 1 2 327.787 2.311 10 30 EEEELO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)Cc1cc(Cl)ccc1F ZINC000444705547 467583228 /nfs/dbraw/zinc/58/32/28/467583228.db2.gz NDIJMKHDTZFRAZ-SNVBAGLBSA-N 1 2 327.787 2.311 10 30 EEEELO CCc1ccc(C[NH+]2CCN(C[C@@H](O)CC3(C#N)CC3)CC2)s1 ZINC000528385807 467681613 /nfs/dbraw/zinc/68/16/13/467681613.db2.gz DCKNWVCTEZJERK-HNNXBMFYSA-N 1 2 333.501 2.483 10 30 EEEELO N#CCCN(CC[NH+]1CCOCC1)C(=O)C/C=C\c1cccc(F)c1 ZINC000487730022 468051686 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N#Cc1cccnc1N1CC[NH+](Cc2cnc3ccccc3n2)CC1 ZINC000595288206 468801597 /nfs/dbraw/zinc/80/15/97/468801597.db2.gz MDWVGZOLMSBDNH-UHFFFAOYSA-N 1 2 330.395 2.219 10 30 EEEELO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3ccc(C#N)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000593020405 468842495 /nfs/dbraw/zinc/84/24/95/468842495.db2.gz YUIJLRYMWZHXAY-OIISXLGYSA-N 1 2 331.372 2.235 10 30 EEEELO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3ccc(C#N)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000593020405 468842499 /nfs/dbraw/zinc/84/24/99/468842499.db2.gz YUIJLRYMWZHXAY-OIISXLGYSA-N 1 2 331.372 2.235 10 30 EEEELO C[C@]1(C#N)CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000598411236 468857672 /nfs/dbraw/zinc/85/76/72/468857672.db2.gz OESRQRGSKHAHGR-MRXNPFEDSA-N 1 2 325.328 2.156 10 30 EEEELO CO[C@H](C)c1noc(C[NH2+]C2(c3cccc(C#N)c3)CCOCC2)n1 ZINC000595764704 468996161 /nfs/dbraw/zinc/99/61/61/468996161.db2.gz LVYKQASWIRUXBM-CYBMUJFWSA-N 1 2 342.399 2.444 10 30 EEEELO CCCCn1nnnc1C[NH2+]C1(c2cccc(C#N)c2)CCOCC1 ZINC000595772176 469001030 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Nc1ncc2c(n1)C[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)CC2 ZINC000623294115 469613035 /nfs/dbraw/zinc/61/30/35/469613035.db2.gz SFLHPFQAIADPEA-UHFFFAOYSA-N 1 2 332.329 2.487 10 30 EEEELO Nc1ncc2c(n1)C[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)CC2 ZINC000623294115 469613038 /nfs/dbraw/zinc/61/30/38/469613038.db2.gz SFLHPFQAIADPEA-UHFFFAOYSA-N 1 2 332.329 2.487 10 30 EEEELO C=C(C)C[C@@H](NC(C)=O)C(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000613544963 469732675 /nfs/dbraw/zinc/73/26/75/469732675.db2.gz KJYLADRFDCRHKO-RHSMWYFYSA-N 1 2 349.500 2.424 10 30 EEEELO N#Cc1ccc(CNC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c(F)c1 ZINC000609253051 469906153 /nfs/dbraw/zinc/90/61/53/469906153.db2.gz QDIUWFKKSUTOEI-HNNXBMFYSA-N 1 2 327.363 2.441 10 30 EEEELO C=CCNC(=O)c1ccc(NC(=O)Cc2cn3c([nH+]2)CCCC3)cc1 ZINC000651149955 471069484 /nfs/dbraw/zinc/06/94/84/471069484.db2.gz UNCITUTUXSXOOB-UHFFFAOYSA-N 1 2 338.411 2.316 10 30 EEEELO C#CC[NH+]1CCN(C(=O)Nc2ccc3nn(C(C)C)cc3c2)CC1 ZINC000095981890 526953653 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C=C1CCC(C(=O)NC[C@]2(C)CCC[N@@H+](Cc3ncnn3C)C2)CC1 ZINC001484169577 1191256040 /nfs/dbraw/zinc/25/60/40/1191256040.db2.gz XLRRELDNWRMRFZ-IBGZPJMESA-N 1 2 345.491 2.280 10 30 EEEELO C=C1CCC(C(=O)NC[C@]2(C)CCC[N@H+](Cc3ncnn3C)C2)CC1 ZINC001484169577 1191256041 /nfs/dbraw/zinc/25/60/41/1191256041.db2.gz XLRRELDNWRMRFZ-IBGZPJMESA-N 1 2 345.491 2.280 10 30 EEEELO C=C(C)C(C)(C)C(=O)NCC1(O)C[NH+]([C@H]2CCc3ccccc32)C1 ZINC001484286931 1191294176 /nfs/dbraw/zinc/29/41/76/1191294176.db2.gz CJBJOWCTZHQNSG-KRWDZBQOSA-N 1 2 328.456 2.439 10 30 EEEELO C=CC(C)(C)C(=O)NCC1(O)C[NH+](CCc2ccccc2CC)C1 ZINC001484287851 1191294252 /nfs/dbraw/zinc/29/42/52/1191294252.db2.gz BIHDHVJRPROXMP-UHFFFAOYSA-N 1 2 330.472 2.167 10 30 EEEELO C#CCC[N@H+]1CCOC[C@H]1CNC(=O)CCc1cc(Cl)cs1 ZINC001484603636 1191435577 /nfs/dbraw/zinc/43/55/77/1191435577.db2.gz ODIWLGRXDBPAMR-CQSZACIVSA-N 1 2 340.876 2.174 10 30 EEEELO C#CCC[N@@H+]1CCOC[C@H]1CNC(=O)CCc1cc(Cl)cs1 ZINC001484603636 1191435579 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328.460 2.448 10 30 EEEELO C#CCCCC(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1csnc1OC ZINC001485057769 1191637571 /nfs/dbraw/zinc/63/75/71/1191637571.db2.gz YIXHESQOGAWFBF-OAHLLOKOSA-N 1 2 335.473 2.378 10 30 EEEELO C#CCCCC(=O)N1CCC[C@@H]1C[N@H+](C)Cc1csnc1OC ZINC001485057769 1191637573 /nfs/dbraw/zinc/63/75/73/1191637573.db2.gz YIXHESQOGAWFBF-OAHLLOKOSA-N 1 2 335.473 2.378 10 30 EEEELO CC(C)Cc1nc(C[NH2+]CC(C)(C)CN(C)C(=O)[C@@H](C)C#N)no1 ZINC001485247629 1191708347 /nfs/dbraw/zinc/70/83/47/1191708347.db2.gz VVOSGZFXXNVSQO-ZDUSSCGKSA-N 1 2 335.452 2.002 10 30 EEEELO CC(C)N(C(=O)C[N@H+](C)[C@H](C)CNC(=O)[C@H](C)C#N)c1ccccc1 ZINC001485285578 1191717345 /nfs/dbraw/zinc/71/73/45/1191717345.db2.gz FUGROXPBXFJUOW-HZPDHXFCSA-N 1 2 344.459 2.024 10 30 EEEELO CC(C)N(C(=O)C[N@@H+](C)[C@H](C)CNC(=O)[C@H](C)C#N)c1ccccc1 ZINC001485285578 1191717347 /nfs/dbraw/zinc/71/73/47/1191717347.db2.gz FUGROXPBXFJUOW-HZPDHXFCSA-N 1 2 344.459 2.024 10 30 EEEELO C[C@@H](CNC(=O)c1cccc(=O)[nH]1)[N@H+](C)Cc1cc(F)ccc1C#N 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CC(C)CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)C#CC(C)(C)C)C1 ZINC001265213468 1322987594 /nfs/dbraw/zinc/98/75/94/1322987594.db2.gz SPHQQTBDYIRGHC-IAGOWNOFSA-N 1 2 349.519 2.167 10 30 EEEELO C#Cc1cccc(NC(=O)C[N@H+]2CC[C@@H](NC(=O)CC(C)(C)C)C2)c1 ZINC001265270461 1323022918 /nfs/dbraw/zinc/02/29/18/1323022918.db2.gz FXEQQZXMRZOAFK-QGZVFWFLSA-N 1 2 341.455 2.233 10 30 EEEELO C#Cc1cccc(NC(=O)C[N@@H+]2CC[C@@H](NC(=O)CC(C)(C)C)C2)c1 ZINC001265270461 1323022925 /nfs/dbraw/zinc/02/29/25/1323022925.db2.gz FXEQQZXMRZOAFK-QGZVFWFLSA-N 1 2 341.455 2.233 10 30 EEEELO C#CCCCCC(=O)N[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2C)C1 ZINC001265279705 1323031768 /nfs/dbraw/zinc/03/17/68/1323031768.db2.gz WDCSHDYKGFMZOW-QGZVFWFLSA-N 1 2 341.455 2.318 10 30 EEEELO C#CCCCCC(=O)N[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2C)C1 ZINC001265279705 1323031772 /nfs/dbraw/zinc/03/17/72/1323031772.db2.gz WDCSHDYKGFMZOW-QGZVFWFLSA-N 1 2 341.455 2.318 10 30 EEEELO C#CCCCC(=O)N[C@@H]1CC[N@@H+](CC(=O)Nc2cccc(CC)c2)C1 ZINC001265282769 1323032318 /nfs/dbraw/zinc/03/23/18/1323032318.db2.gz YDOWTIXTQMLCSU-GOSISDBHSA-N 1 2 341.455 2.182 10 30 EEEELO C#CCCCC(=O)N[C@@H]1CC[N@H+](CC(=O)Nc2cccc(CC)c2)C1 ZINC001265282769 1323032321 /nfs/dbraw/zinc/03/23/21/1323032321.db2.gz YDOWTIXTQMLCSU-GOSISDBHSA-N 1 2 341.455 2.182 10 30 EEEELO C=CCCC(=O)N1CCC[C@H](C[N@@H+](C)Cc2nnnn2C(C)(C)C)C1 ZINC001265387068 1323115449 /nfs/dbraw/zinc/11/54/49/1323115449.db2.gz RRWILMOKVUMECF-OAHLLOKOSA-N 1 2 348.495 2.065 10 30 EEEELO C=CCCC(=O)N1CCC[C@H](C[N@H+](C)Cc2nnnn2C(C)(C)C)C1 ZINC001265387068 1323115451 /nfs/dbraw/zinc/11/54/51/1323115451.db2.gz RRWILMOKVUMECF-OAHLLOKOSA-N 1 2 348.495 2.065 10 30 EEEELO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1C=CCCC1 ZINC001265408317 1323137175 /nfs/dbraw/zinc/13/71/75/1323137175.db2.gz FELVDJZYBFAAKS-XDNAFOTISA-N 1 2 345.487 2.099 10 30 EEEELO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1C=CCCC1 ZINC001265408317 1323137176 /nfs/dbraw/zinc/13/71/76/1323137176.db2.gz FELVDJZYBFAAKS-XDNAFOTISA-N 1 2 345.487 2.099 10 30 EEEELO C=C[C@@H](CC)CC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cnnn1CC ZINC001265650662 1323296057 /nfs/dbraw/zinc/29/60/57/1323296057.db2.gz CECCHRBBYHIGCN-HOTGVXAUSA-N 1 2 333.480 2.371 10 30 EEEELO C=C[C@@H](CC)CC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cnnn1CC ZINC001265650662 1323296059 /nfs/dbraw/zinc/29/60/59/1323296059.db2.gz CECCHRBBYHIGCN-HOTGVXAUSA-N 1 2 333.480 2.371 10 30 EEEELO C=CCCOCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1nc(C)c(C)o1 ZINC001265657327 1323301357 /nfs/dbraw/zinc/30/13/57/1323301357.db2.gz ACTQVIPZAGLIQV-INIZCTEOSA-N 1 2 335.448 2.355 10 30 EEEELO C=CCCOCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1nc(C)c(C)o1 ZINC001265657327 1323301362 /nfs/dbraw/zinc/30/13/62/1323301362.db2.gz ACTQVIPZAGLIQV-INIZCTEOSA-N 1 2 335.448 2.355 10 30 EEEELO CCc1nnc([C@H](C)[N@H+](C)[C@@H]2CCCN(C(=O)C#CC(C)C)C2)o1 ZINC001266099736 1323662416 /nfs/dbraw/zinc/66/24/16/1323662416.db2.gz LSZIRXQDGKKNOS-LSDHHAIUSA-N 1 2 332.448 2.275 10 30 EEEELO CCc1nnc([C@H](C)[N@@H+](C)[C@@H]2CCCN(C(=O)C#CC(C)C)C2)o1 ZINC001266099736 1323662422 /nfs/dbraw/zinc/66/24/22/1323662422.db2.gz LSZIRXQDGKKNOS-LSDHHAIUSA-N 1 2 332.448 2.275 10 30 EEEELO CC(C)C#CC(=O)N[C@H]1CCC[N@@H+](CC(=O)N(C)[C@H](C)CC(C)C)C1 ZINC001266217974 1323787643 /nfs/dbraw/zinc/78/76/43/1323787643.db2.gz JRIMEPVIQNDULG-MSOLQXFVSA-N 1 2 349.519 2.119 10 30 EEEELO CC(C)C#CC(=O)N[C@H]1CCC[N@H+](CC(=O)N(C)[C@H](C)CC(C)C)C1 ZINC001266217974 1323787651 /nfs/dbraw/zinc/78/76/51/1323787651.db2.gz JRIMEPVIQNDULG-MSOLQXFVSA-N 1 2 349.519 2.119 10 30 EEEELO C=CCCCC(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2Cc1ncnn1CC ZINC001279575001 1323942767 /nfs/dbraw/zinc/94/27/67/1323942767.db2.gz CHOAYXVVDLIQRD-HZPDHXFCSA-N 1 2 331.464 2.220 10 30 EEEELO C=CCCCC(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2Cc1ncnn1CC ZINC001279575001 1323942771 /nfs/dbraw/zinc/94/27/71/1323942771.db2.gz CHOAYXVVDLIQRD-HZPDHXFCSA-N 1 2 331.464 2.220 10 30 EEEELO CC#CCCCC(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2Cc1nnc(C)o1 ZINC001279578589 1323945523 /nfs/dbraw/zinc/94/55/23/1323945523.db2.gz ZKYAVUMCKDXVGV-CVEARBPZSA-N 1 2 330.432 2.137 10 30 EEEELO CC#CCCCC(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2Cc1nnc(C)o1 ZINC001279578589 1323945527 /nfs/dbraw/zinc/94/55/27/1323945527.db2.gz ZKYAVUMCKDXVGV-CVEARBPZSA-N 1 2 330.432 2.137 10 30 EEEELO CC#CCCCC(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2Cc1nnc(C)o1 ZINC001279578592 1323945905 /nfs/dbraw/zinc/94/59/05/1323945905.db2.gz ZKYAVUMCKDXVGV-JKSUJKDBSA-N 1 2 330.432 2.137 10 30 EEEELO CC#CCCCC(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2Cc1nnc(C)o1 ZINC001279578592 1323945910 /nfs/dbraw/zinc/94/59/10/1323945910.db2.gz ZKYAVUMCKDXVGV-JKSUJKDBSA-N 1 2 330.432 2.137 10 30 EEEELO C=C[C@H](CC)CC(=O)NCC1=CC[N@@H+]([C@H](C)c2nncn2C)CC1 ZINC001279621655 1323962502 /nfs/dbraw/zinc/96/25/02/1323962502.db2.gz JMUXNNVRJGWLEG-HUUCEWRRSA-N 1 2 331.464 2.227 10 30 EEEELO C=C[C@H](CC)CC(=O)NCC1=CC[N@H+]([C@H](C)c2nncn2C)CC1 ZINC001279621655 1323962504 /nfs/dbraw/zinc/96/25/04/1323962504.db2.gz JMUXNNVRJGWLEG-HUUCEWRRSA-N 1 2 331.464 2.227 10 30 EEEELO C=CC(C)(C)CC(=O)N[C@@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001294748678 1329135553 /nfs/dbraw/zinc/13/55/53/1329135553.db2.gz AKELRJGXTHURRK-LSDHHAIUSA-N 1 2 332.448 2.154 10 30 EEEELO C=C(C)C(C)(C)C(=O)NC[C@@H]1CCCCCN1C(=O)Cn1cc[nH+]c1 ZINC001280609782 1324336376 /nfs/dbraw/zinc/33/63/76/1324336376.db2.gz MQWQWNCCYGHASN-INIZCTEOSA-N 1 2 346.475 2.373 10 30 EEEELO C=CCC1(C(=O)N[C@@H](C)C2CN(C(=O)CCc3[nH]cc[nH+]3)C2)CCC1 ZINC001280670240 1324391164 /nfs/dbraw/zinc/39/11/64/1324391164.db2.gz MBMGIMHUTOURGP-AWEZNQCLSA-N 1 2 344.459 2.052 10 30 EEEELO C=C(C)CCC(=O)NCCC[C@@H](C)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001280844399 1324565429 /nfs/dbraw/zinc/56/54/29/1324565429.db2.gz ZDMJAJBQTPUBPE-HZPDHXFCSA-N 1 2 346.475 2.203 10 30 EEEELO Cc1nonc1C[N@@H+](C)CCCN(C)C(=O)CC#Cc1ccccc1 ZINC001280882970 1324604880 /nfs/dbraw/zinc/60/48/80/1324604880.db2.gz AZDAUHAVDQDTFO-UHFFFAOYSA-N 1 2 340.427 2.100 10 30 EEEELO Cc1nonc1C[N@H+](C)CCCN(C)C(=O)CC#Cc1ccccc1 ZINC001280882970 1324604884 /nfs/dbraw/zinc/60/48/84/1324604884.db2.gz AZDAUHAVDQDTFO-UHFFFAOYSA-N 1 2 340.427 2.100 10 30 EEEELO C=CCC1(C(=O)N(C)C[C@@H](C)NC(=O)Cc2c[nH]c[nH+]2)CCCCC1 ZINC001281019256 1324721713 /nfs/dbraw/zinc/72/17/13/1324721713.db2.gz YRBHMVKQEBRTAS-OAHLLOKOSA-N 1 2 346.475 2.442 10 30 EEEELO C=CCC(CC=C)C(=O)N1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1C ZINC001281168999 1324816870 /nfs/dbraw/zinc/81/68/70/1324816870.db2.gz CNHMXAUTCSRIDM-BBRMVZONSA-N 1 2 344.459 2.135 10 30 EEEELO C=CCCOCC(=O)N[C@@H]1C[N@@H+](Cc2cncc(F)c2)CC1(C)C ZINC001276634432 1324906333 /nfs/dbraw/zinc/90/63/33/1324906333.db2.gz UCXKCIYOKWBWPF-MRXNPFEDSA-N 1 2 335.423 2.140 10 30 EEEELO C=CCCOCC(=O)N[C@@H]1C[N@H+](Cc2cncc(F)c2)CC1(C)C ZINC001276634432 1324906337 /nfs/dbraw/zinc/90/63/37/1324906337.db2.gz UCXKCIYOKWBWPF-MRXNPFEDSA-N 1 2 335.423 2.140 10 30 EEEELO C=CCC(C)(C)C(=O)N(C)C1CC(NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001281343921 1324979961 /nfs/dbraw/zinc/97/99/61/1324979961.db2.gz BBFHVNGACJEQPH-UHFFFAOYSA-N 1 2 332.448 2.050 10 30 EEEELO C=CCCCC(=O)N[C@H]1CC[C@H](C)N(C(=O)CCc2[nH+]ccn2C)C1 ZINC001281418505 1325064628 /nfs/dbraw/zinc/06/46/28/1325064628.db2.gz TUBFKPFWJADOCJ-HOTGVXAUSA-N 1 2 346.475 2.205 10 30 EEEELO C=CCCCC(=O)N1CC2(C1)CCN(C(=O)C(C)(C)c1c[nH+]c[nH]1)C2 ZINC001281466410 1325134493 /nfs/dbraw/zinc/13/44/93/1325134493.db2.gz IIBIHUSONIFDBA-UHFFFAOYSA-N 1 2 344.459 2.105 10 30 EEEELO C=C(C)C(C)(C)C(=O)N1CC[C@@H](CNC(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC001281594908 1325339476 /nfs/dbraw/zinc/33/94/76/1325339476.db2.gz ZDTNRQGASOZPFN-CVEARBPZSA-N 1 2 346.475 2.086 10 30 EEEELO C=CC(C)(C)CC(=O)NC[C@H]1c2ccccc2CC[N@H+]1[C@H](C)C(N)=O ZINC001281775619 1325447070 /nfs/dbraw/zinc/44/70/70/1325447070.db2.gz CKCGCXRERIMZOS-PBHICJAKSA-N 1 2 343.471 2.178 10 30 EEEELO C=CC(C)(C)CC(=O)NC[C@H]1c2ccccc2CC[N@@H+]1[C@H](C)C(N)=O ZINC001281775619 1325447074 /nfs/dbraw/zinc/44/70/74/1325447074.db2.gz CKCGCXRERIMZOS-PBHICJAKSA-N 1 2 343.471 2.178 10 30 EEEELO C[C@@H](NC(=O)C#CC(C)(C)C)[C@H](C)[NH2+]Cc1nc(C(F)F)no1 ZINC001282128629 1325629680 /nfs/dbraw/zinc/62/96/80/1325629680.db2.gz NGDMIDVSVRXDJA-VHSXEESVSA-N 1 2 328.363 2.040 10 30 EEEELO C=C[C@@](C)(CC)C(=O)N[C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)[C@@H]1CC ZINC001282275819 1325674866 /nfs/dbraw/zinc/67/48/66/1325674866.db2.gz CFUCUJQTQQKOPL-KHYOSLBOSA-N 1 2 346.475 2.440 10 30 EEEELO Cc1cccc(NC(=O)C[N@@H+](C)[C@H](C)CNC(=O)C#CC(C)C)c1 ZINC001282385646 1325704014 /nfs/dbraw/zinc/70/40/14/1325704014.db2.gz XNBBQSQLTGLOFW-MRXNPFEDSA-N 1 2 329.444 2.029 10 30 EEEELO Cc1cccc(NC(=O)C[N@H+](C)[C@H](C)CNC(=O)C#CC(C)C)c1 ZINC001282385646 1325704016 /nfs/dbraw/zinc/70/40/16/1325704016.db2.gz XNBBQSQLTGLOFW-MRXNPFEDSA-N 1 2 329.444 2.029 10 30 EEEELO C=CCCC(=O)N1CCCC[C@H]1CN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001282396951 1325707314 /nfs/dbraw/zinc/70/73/14/1325707314.db2.gz WLXFKNPTSSTDKC-INIZCTEOSA-N 1 2 332.448 2.148 10 30 EEEELO C=CCCC(=O)N1CCCC[C@H]1CN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001282396951 1325707315 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CC#CC[NH2+]Cc1nc2c(s1)CCN(C(=O)CC(C)(C)COC)C2 ZINC001657086561 1354320151 /nfs/dbraw/zinc/32/01/51/1354320151.db2.gz CVAHLCDEFJUBMM-UHFFFAOYSA-N 1 2 349.500 2.203 10 30 EEEELO C#CC[N@@H+](CCCc1ccc(F)c(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC001658460162 1354360940 /nfs/dbraw/zinc/36/09/40/1354360940.db2.gz BPNMMFBXJKKIBK-CQSZACIVSA-N 1 2 327.396 2.020 10 30 EEEELO C#CC[N@H+](CCCc1ccc(F)c(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC001658460162 1354360945 /nfs/dbraw/zinc/36/09/45/1354360945.db2.gz BPNMMFBXJKKIBK-CQSZACIVSA-N 1 2 327.396 2.020 10 30 EEEELO C#CCCCCC(=O)NC[C@@H]1CCC[N@H+](Cc2nnc(C3CC3)o2)C1 ZINC001661713188 1354678798 /nfs/dbraw/zinc/67/87/98/1354678798.db2.gz NQTFBZNAJZORLY-HNNXBMFYSA-N 1 2 344.459 2.469 10 30 EEEELO C#CCCCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2nnc(C3CC3)o2)C1 ZINC001661713188 1354678799 /nfs/dbraw/zinc/67/87/99/1354678799.db2.gz NQTFBZNAJZORLY-HNNXBMFYSA-N 1 2 344.459 2.469 10 30 EEEELO C#CCO[C@H](C)C(=O)NC[C@@H]1CCCC[N@@H+]1CC=C(Cl)Cl ZINC001661865922 1354712995 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C=CCC(C)(C)C(=O)NC[C@@]1(O)CC[N@H+](Cc2coc(C3CC3)n2)C1 ZINC001325137423 1333836127 /nfs/dbraw/zinc/83/61/27/1333836127.db2.gz FKMMJHBYRVSIBJ-IBGZPJMESA-N 1 2 347.459 2.207 10 30 EEEELO C=CCC(C)(C)C(=O)NC[C@@]1(O)CC[N@@H+](Cc2coc(C3CC3)n2)C1 ZINC001325137423 1333836128 /nfs/dbraw/zinc/83/61/28/1333836128.db2.gz FKMMJHBYRVSIBJ-IBGZPJMESA-N 1 2 347.459 2.207 10 30 EEEELO C=C[C@@](C)(CC)C(=O)NCC1(O)C[NH+](C[C@H](OC)c2ccccc2)C1 ZINC001325274583 1333856505 /nfs/dbraw/zinc/85/65/05/1333856505.db2.gz SJBLIFOJGNONEY-HKUYNNGSSA-N 1 2 346.471 2.139 10 30 EEEELO CC#CCCCC(=O)N1CCC[C@H]2C[N@@H+]([C@@H](C)c3nnc(C)[nH]3)C[C@H]21 ZINC001325945602 1334002870 /nfs/dbraw/zinc/00/28/70/1334002870.db2.gz FJNCRQXJNRESAC-BHYGNILZSA-N 1 2 343.475 2.291 10 30 EEEELO CC#CCCCC(=O)N1CCC[C@H]2C[N@H+]([C@@H](C)c3nnc(C)[nH]3)C[C@H]21 ZINC001325945602 1334002872 /nfs/dbraw/zinc/00/28/72/1334002872.db2.gz FJNCRQXJNRESAC-BHYGNILZSA-N 1 2 343.475 2.291 10 30 EEEELO C=CCCC(=O)NCc1ccc2c(c1)C[N@H+]([C@@H](C)C(=O)NCC=C)C2 ZINC001327682583 1334332820 /nfs/dbraw/zinc/33/28/20/1334332820.db2.gz OREJTEDOFNBDAF-HNNXBMFYSA-N 1 2 341.455 2.275 10 30 EEEELO C=CCCC(=O)NCc1ccc2c(c1)C[N@@H+]([C@@H](C)C(=O)NCC=C)C2 ZINC001327682583 1334332823 /nfs/dbraw/zinc/33/28/23/1334332823.db2.gz OREJTEDOFNBDAF-HNNXBMFYSA-N 1 2 341.455 2.275 10 30 EEEELO C#CC[N@H+]1Cc2ccc(CNC(=O)CCc3cscn3)cc2C1 ZINC001327698826 1334336503 /nfs/dbraw/zinc/33/65/03/1334336503.db2.gz MZTGVJZCZCXBSJ-UHFFFAOYSA-N 1 2 325.437 2.341 10 30 EEEELO C#CC[N@@H+]1Cc2ccc(CNC(=O)CCc3cscn3)cc2C1 ZINC001327698826 1334336505 /nfs/dbraw/zinc/33/65/05/1334336505.db2.gz MZTGVJZCZCXBSJ-UHFFFAOYSA-N 1 2 325.437 2.341 10 30 EEEELO C#CCCCC(=O)N[C@@]12CCC[C@@H]1[N@H+](Cc1nnc(C3CC3)o1)CC2 ZINC001332094133 1335727092 /nfs/dbraw/zinc/72/70/92/1335727092.db2.gz ZNAFQIDRQZJMIL-HNAYVOBHSA-N 1 2 342.443 2.364 10 30 EEEELO C#CCCCC(=O)N[C@@]12CCC[C@@H]1[N@@H+](Cc1nnc(C3CC3)o1)CC2 ZINC001332094133 1335727098 /nfs/dbraw/zinc/72/70/98/1335727098.db2.gz ZNAFQIDRQZJMIL-HNAYVOBHSA-N 1 2 342.443 2.364 10 30 EEEELO C=CCOCC(=O)N[C@H]1CCC[N@H+](Cc2ccncc2Cl)[C@H]1C ZINC001332168220 1335750851 /nfs/dbraw/zinc/75/08/51/1335750851.db2.gz XFFQNGANFMNWJF-BBRMVZONSA-N 1 2 337.851 2.407 10 30 EEEELO C=CCOCC(=O)N[C@H]1CCC[N@@H+](Cc2ccncc2Cl)[C@H]1C ZINC001332168220 1335750857 /nfs/dbraw/zinc/75/08/57/1335750857.db2.gz XFFQNGANFMNWJF-BBRMVZONSA-N 1 2 337.851 2.407 10 30 EEEELO C=C(C)CCC(=O)N[C@@H]1CCC[N@@H+](CCCS(=O)(=O)CC)[C@@H]1C ZINC001332184448 1335756016 /nfs/dbraw/zinc/75/60/16/1335756016.db2.gz IPZAQMYSIKVGLZ-HZPDHXFCSA-N 1 2 344.521 2.137 10 30 EEEELO C=C(C)CCC(=O)N[C@@H]1CCC[N@H+](CCCS(=O)(=O)CC)[C@@H]1C ZINC001332184448 1335756022 /nfs/dbraw/zinc/75/60/22/1335756022.db2.gz IPZAQMYSIKVGLZ-HZPDHXFCSA-N 1 2 344.521 2.137 10 30 EEEELO C=CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)c2ccoc2C2CC2)[C@@H]1C ZINC001332202974 1335763908 /nfs/dbraw/zinc/76/39/08/1335763908.db2.gz ZBFIIHYLEWGTQB-BBRMVZONSA-N 1 2 345.443 2.042 10 30 EEEELO C=CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)c2ccoc2C2CC2)[C@@H]1C ZINC001332202974 1335763916 /nfs/dbraw/zinc/76/39/16/1335763916.db2.gz ZBFIIHYLEWGTQB-BBRMVZONSA-N 1 2 345.443 2.042 10 30 EEEELO C[C@H](c1csnn1)[NH+]1CCC([C@H](C)NC(=O)C#CC2CC2)CC1 ZINC001332985669 1335942362 /nfs/dbraw/zinc/94/23/62/1335942362.db2.gz QNBFIYJIHQCJQV-QWHCGFSZSA-N 1 2 332.473 2.229 10 30 EEEELO C[C@H](CNC(=O)C#CC(C)(C)C)N(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001334265948 1336230481 /nfs/dbraw/zinc/23/04/81/1336230481.db2.gz USBFJTUGBCAZDW-CYBMUJFWSA-N 1 2 340.427 2.189 10 30 EEEELO C=CCCC(=O)N1C[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC[C@H]1C ZINC001339696973 1337055704 /nfs/dbraw/zinc/05/57/04/1337055704.db2.gz PPIWMJALCJNIJS-CVEARBPZSA-N 1 2 346.475 2.389 10 30 EEEELO C=CCn1c(N(CC)CCC2CC2)nnc1[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC001339854968 1337085210 /nfs/dbraw/zinc/08/52/10/1337085210.db2.gz NHLADFCEPZJUKM-YJBOKZPZSA-N 1 2 333.480 2.002 10 30 EEEELO C=CCn1c(N(CC)CCC2CC2)nnc1[C@]1(C)C[C@H](O)C[N@H+]1C ZINC001339854968 1337085212 /nfs/dbraw/zinc/08/52/12/1337085212.db2.gz NHLADFCEPZJUKM-YJBOKZPZSA-N 1 2 333.480 2.002 10 30 EEEELO C=C(C)C(C)(C)C(=O)N(C)C[C@H]1CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001344174041 1337375907 /nfs/dbraw/zinc/37/59/07/1337375907.db2.gz FEFHNRGTTZROHH-OAHLLOKOSA-N 1 2 332.448 2.004 10 30 EEEELO C=C(C)C(C)(C)C(=O)N(C)C[C@H]1CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001344174041 1337375909 /nfs/dbraw/zinc/37/59/09/1337375909.db2.gz FEFHNRGTTZROHH-OAHLLOKOSA-N 1 2 332.448 2.004 10 30 EEEELO C=CCCC(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001344476095 1337396601 /nfs/dbraw/zinc/39/66/01/1337396601.db2.gz ZKOQFPNHVDENEQ-WBVHZDCISA-N 1 2 346.475 2.062 10 30 EEEELO C=C1CC(C)(C(=O)N(CC)CCCNC(=O)CCc2[nH+]ccn2C)C1 ZINC001352291984 1337919773 /nfs/dbraw/zinc/91/97/73/1337919773.db2.gz MKHAIHOKHGTTME-UHFFFAOYSA-N 1 2 346.475 2.064 10 30 EEEELO C=CC1(CC(=O)NC[C@H](C)NC(=O)CCc2c[nH]c[nH+]2)CCCCC1 ZINC001354541314 1338532605 /nfs/dbraw/zinc/53/26/05/1338532605.db2.gz DPOYLLUSQRVSNA-HNNXBMFYSA-N 1 2 346.475 2.490 10 30 EEEELO C=CC1(CC(=O)NC[C@H](C)NC(=O)CCc2c[nH+]c[nH]2)CCCCC1 ZINC001354541314 1338532613 /nfs/dbraw/zinc/53/26/13/1338532613.db2.gz DPOYLLUSQRVSNA-HNNXBMFYSA-N 1 2 346.475 2.490 10 30 EEEELO C=CCC(CC=C)C(=O)NC[C@@H]1CCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001356335675 1338816293 /nfs/dbraw/zinc/81/62/93/1338816293.db2.gz RACLQSXRAVZKAN-INIZCTEOSA-N 1 2 344.459 2.136 10 30 EEEELO C=CCCC(=O)NC[C@@]1(O)CC[N@H+](Cc2csc(C3CC3)n2)C1 ZINC001671982293 1356449170 /nfs/dbraw/zinc/44/91/70/1356449170.db2.gz NKQQDYRXXLULLV-KRWDZBQOSA-N 1 2 335.473 2.040 10 30 EEEELO C=CCCC(=O)NC[C@@]1(O)CC[N@@H+](Cc2csc(C3CC3)n2)C1 ZINC001671982293 1356449171 /nfs/dbraw/zinc/44/91/71/1356449171.db2.gz NKQQDYRXXLULLV-KRWDZBQOSA-N 1 2 335.473 2.040 10 30 EEEELO C[N@@H+](Cc1cn(-c2ccccc2)nn1)C[C@H](O)c1cccc(C#N)c1 ZINC001559976529 1342504655 /nfs/dbraw/zinc/50/46/55/1342504655.db2.gz XAICEWSFOKXMPR-IBGZPJMESA-N 1 2 333.395 2.304 10 30 EEEELO C[N@H+](Cc1cn(-c2ccccc2)nn1)C[C@H](O)c1cccc(C#N)c1 ZINC001559976529 1342504656 /nfs/dbraw/zinc/50/46/56/1342504656.db2.gz XAICEWSFOKXMPR-IBGZPJMESA-N 1 2 333.395 2.304 10 30 EEEELO N#CCSCC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001566618041 1342581675 /nfs/dbraw/zinc/58/16/75/1342581675.db2.gz PHHAMFLGZPDCJX-HNNXBMFYSA-N 1 2 346.431 2.035 10 30 EEEELO N#CCSCC(=O)N[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001566618041 1342581677 /nfs/dbraw/zinc/58/16/77/1342581677.db2.gz PHHAMFLGZPDCJX-HNNXBMFYSA-N 1 2 346.431 2.035 10 30 EEEELO CCc1nnc(C[NH+]2CCC3(C[C@@H]3NC(=O)C#CC(C)C)CC2)s1 ZINC001566689817 1342602991 /nfs/dbraw/zinc/60/29/91/1342602991.db2.gz UXYZXANDPIXWCW-AWEZNQCLSA-N 1 2 346.500 2.231 10 30 EEEELO C#Cc1cccc(NC(=O)C[N@H+](C)CCNC(=O)[C@@]2(C)C=CCC2)c1 ZINC001567298845 1342735347 /nfs/dbraw/zinc/73/53/47/1342735347.db2.gz WMOFWEWLHCLKRD-FQEVSTJZSA-N 1 2 339.439 2.011 10 30 EEEELO C#Cc1cccc(NC(=O)C[N@@H+](C)CCNC(=O)[C@@]2(C)C=CCC2)c1 ZINC001567298845 1342735350 /nfs/dbraw/zinc/73/53/50/1342735350.db2.gz WMOFWEWLHCLKRD-FQEVSTJZSA-N 1 2 339.439 2.011 10 30 EEEELO C[C@H](CCC(=O)N(C)CC[NH+]1CCN(CC#N)CC1)c1ccccc1 ZINC001567718799 1342818726 /nfs/dbraw/zinc/81/87/26/1342818726.db2.gz BOEFUMSMJTUJGD-GOSISDBHSA-N 1 2 342.487 2.170 10 30 EEEELO C=CCN1CC[NH+](CCN(C)C(=O)[C@@H](C=C)c2ccccc2)CC1 ZINC001567720898 1342819576 /nfs/dbraw/zinc/81/95/76/1342819576.db2.gz NAKNYLQOTNFOEC-IBGZPJMESA-N 1 2 327.472 2.218 10 30 EEEELO C=CCNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)c2ccc(CCC)s2)C1 ZINC001567831226 1342847049 /nfs/dbraw/zinc/84/70/49/1342847049.db2.gz MIEQBCAZPZWZPD-CYBMUJFWSA-N 1 2 349.500 2.053 10 30 EEEELO C#CCN(C(=O)CCC1CCC1)C1CC[NH+](Cc2nccn2C)CC1 ZINC001569584083 1342902602 /nfs/dbraw/zinc/90/26/02/1342902602.db2.gz CVVWYQORPPPORY-UHFFFAOYSA-N 1 2 342.487 2.427 10 30 EEEELO C=C[C@](C)(CC)C(=O)NC[C@]1(O)CC[N@H+](Cc2ccn(C(C)C)n2)C1 ZINC001569757773 1342939477 /nfs/dbraw/zinc/93/94/77/1342939477.db2.gz OZYNWJVQTYRFAC-RTBURBONSA-N 1 2 348.491 2.119 10 30 EEEELO C=C[C@](C)(CC)C(=O)NC[C@]1(O)CC[N@@H+](Cc2ccn(C(C)C)n2)C1 ZINC001569757773 1342939481 /nfs/dbraw/zinc/93/94/81/1342939481.db2.gz OZYNWJVQTYRFAC-RTBURBONSA-N 1 2 348.491 2.119 10 30 EEEELO C#Cc1cncc(C(=O)NC[C@H]2COCC[N@H+]2CCCC(C)(C)C)c1 ZINC001570072059 1343009241 /nfs/dbraw/zinc/00/92/41/1343009241.db2.gz NDKUXMBKYRUPSY-SFHVURJKSA-N 1 2 343.471 2.320 10 30 EEEELO C#Cc1cncc(C(=O)NC[C@H]2COCC[N@@H+]2CCCC(C)(C)C)c1 ZINC001570072059 1343009245 /nfs/dbraw/zinc/00/92/45/1343009245.db2.gz NDKUXMBKYRUPSY-SFHVURJKSA-N 1 2 343.471 2.320 10 30 EEEELO CC(C)(C)C#CC(=O)NC1(CCO)C[NH+](CCCc2ccsc2)C1 ZINC001570759439 1343112222 /nfs/dbraw/zinc/11/22/22/1343112222.db2.gz AUKLSXWZQKGNCT-UHFFFAOYSA-N 1 2 348.512 2.283 10 30 EEEELO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)C3(CCOC)CCCC3)C2)C1 ZINC001570886459 1343128163 /nfs/dbraw/zinc/12/81/63/1343128163.db2.gz JDSCUWLJTSLHOQ-LJQANCHMSA-N 1 2 336.476 2.073 10 30 EEEELO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)C3(CCOC)CCCC3)C2)C1 ZINC001570886459 1343128165 /nfs/dbraw/zinc/12/81/65/1343128165.db2.gz JDSCUWLJTSLHOQ-LJQANCHMSA-N 1 2 336.476 2.073 10 30 EEEELO C=CCCC(=O)N[C@H]1C[N@@H+](CC(=O)Nc2ccc(O)cc2)CC1(C)C ZINC001570891009 1343130927 /nfs/dbraw/zinc/13/09/27/1343130927.db2.gz KIKJXPLAVQUTSJ-INIZCTEOSA-N 1 2 345.443 2.124 10 30 EEEELO C=CCCC(=O)N[C@H]1C[N@H+](CC(=O)Nc2ccc(O)cc2)CC1(C)C ZINC001570891009 1343130928 /nfs/dbraw/zinc/13/09/28/1343130928.db2.gz KIKJXPLAVQUTSJ-INIZCTEOSA-N 1 2 345.443 2.124 10 30 EEEELO CC#CCCCC(=O)N1C[C@]2(C)C[N@H+](Cc3nonc3C)C[C@]2(C)C1 ZINC001571063993 1343159373 /nfs/dbraw/zinc/15/93/73/1343159373.db2.gz KVUDKGGOBMKFKN-KDURUIRLSA-N 1 2 344.459 2.242 10 30 EEEELO CC#CCCCC(=O)N1C[C@]2(C)C[N@@H+](Cc3nonc3C)C[C@]2(C)C1 ZINC001571063993 1343159375 /nfs/dbraw/zinc/15/93/75/1343159375.db2.gz KVUDKGGOBMKFKN-KDURUIRLSA-N 1 2 344.459 2.242 10 30 EEEELO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CCCNC(=O)C2CC2)[C@@H]1C ZINC001571519151 1343227504 /nfs/dbraw/zinc/22/75/04/1343227504.db2.gz OTKCVSQLGOGTAY-ZFWWWQNUSA-N 1 2 341.883 2.014 10 30 EEEELO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CCCNC(=O)C2CC2)[C@@H]1C ZINC001571519151 1343227505 /nfs/dbraw/zinc/22/75/05/1343227505.db2.gz OTKCVSQLGOGTAY-ZFWWWQNUSA-N 1 2 341.883 2.014 10 30 EEEELO C=C(C)C[C@@H](C)C(=O)N[C@H](C)CN(C)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001572270967 1343450883 /nfs/dbraw/zinc/45/08/83/1343450883.db2.gz LIYZNTHQEDRMQL-GDBMZVCRSA-N 1 2 348.491 2.492 10 30 EEEELO C=CC(C)(C)C(=O)NC[C@H]1C[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001573149291 1343612545 /nfs/dbraw/zinc/61/25/45/1343612545.db2.gz MNYIJNDBNPGBFZ-SOUVJXGZSA-N 1 2 332.448 2.057 10 30 EEEELO C=CCC(C)(C)C(=O)N1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001576393130 1344009041 /nfs/dbraw/zinc/00/90/41/1344009041.db2.gz VAIBHGNYHFXHDC-HUUCEWRRSA-N 1 2 344.459 2.176 10 30 EEEELO C=CCC(C)(C)C(=O)N1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001576393130 1344009044 /nfs/dbraw/zinc/00/90/44/1344009044.db2.gz VAIBHGNYHFXHDC-HUUCEWRRSA-N 1 2 344.459 2.176 10 30 EEEELO C=C(C)CCC(=O)NCCC[C@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001580550433 1344535132 /nfs/dbraw/zinc/53/51/32/1344535132.db2.gz 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C#CCOCCC(=O)N[C@H]1CC[N@H+](Cc2csc(CC)n2)[C@@H]1CC ZINC001691475316 1178906081 /nfs/dbraw/zinc/90/60/81/1178906081.db2.gz MFYFTVDYOBOIKO-JKSUJKDBSA-N 1 2 349.500 2.215 10 30 EEEELO C#CCOCCC(=O)N[C@H]1CC[N@@H+](Cc2csc(CC)n2)[C@@H]1CC ZINC001691475316 1178906086 /nfs/dbraw/zinc/90/60/86/1178906086.db2.gz MFYFTVDYOBOIKO-JKSUJKDBSA-N 1 2 349.500 2.215 10 30 EEEELO CCC[N@H+](CCNC(=O)C#CC(C)(C)C)Cc1cn(C(C)C)nn1 ZINC001481135595 1179880727 /nfs/dbraw/zinc/88/07/27/1179880727.db2.gz UEPQAGGTCOPBNC-UHFFFAOYSA-N 1 2 333.480 2.237 10 30 EEEELO CCC[N@@H+](CCNC(=O)C#CC(C)(C)C)Cc1cn(C(C)C)nn1 ZINC001481135595 1179880738 /nfs/dbraw/zinc/88/07/38/1179880738.db2.gz UEPQAGGTCOPBNC-UHFFFAOYSA-N 1 2 333.480 2.237 10 30 EEEELO C#CC[NH+]1CCN(CCN(C)C(=O)C/C=C/c2ccc(C)cc2)CC1 ZINC001267618143 1179954663 /nfs/dbraw/zinc/95/46/63/1179954663.db2.gz LMINNPXPIAKQIE-AATRIKPKSA-N 1 2 339.483 2.108 10 30 EEEELO C=CCC1(C(=O)N[C@H]2CCC[N@@H+](Cc3c(C)nnn3CC)C2)CCC1 ZINC001267629700 1180034586 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335.492 2.084 10 30 EEEELO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@H+](CC(=O)N[C@@H](C)C(C)C)C2)C1 ZINC001267965926 1180862681 /nfs/dbraw/zinc/86/26/81/1180862681.db2.gz ABKLQFPAMOHNRQ-JKSUJKDBSA-N 1 2 335.492 2.084 10 30 EEEELO CC#CCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)C(=O)N[C@@H](C)CC ZINC001481386752 1181176877 /nfs/dbraw/zinc/17/68/77/1181176877.db2.gz YESWJMABDUEDHA-XLAORIBOSA-N 1 2 347.503 2.158 10 30 EEEELO CC#CCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)C(=O)N[C@@H](C)CC ZINC001481386752 1181176882 /nfs/dbraw/zinc/17/68/82/1181176882.db2.gz YESWJMABDUEDHA-XLAORIBOSA-N 1 2 347.503 2.158 10 30 EEEELO CCCc1nc(C[NH2+]C2(CNC(=O)C#CC(C)C)CCCC2)no1 ZINC001268036206 1181374474 /nfs/dbraw/zinc/37/44/74/1181374474.db2.gz NPWMPLOLYVNQMN-UHFFFAOYSA-N 1 2 332.448 2.200 10 30 EEEELO C=CCOCC(=O)N1CCC2(C[NH+](Cc3ccnc(Cl)c3)C2)CC1 ZINC001268043643 1181488303 /nfs/dbraw/zinc/48/83/03/1181488303.db2.gz LBARWOYSQVFTJG-UHFFFAOYSA-N 1 2 349.862 2.362 10 30 EEEELO Cc1cnc([C@@H](C)[N@@H+]2CCC[C@H](NC(=O)C#CC(C)(C)C)C2)cn1 ZINC001481534314 1181666810 /nfs/dbraw/zinc/66/68/10/1181666810.db2.gz KXMVIVCUAFUUEF-CVEARBPZSA-N 1 2 328.460 2.476 10 30 EEEELO Cc1cnc([C@@H](C)[N@H+]2CCC[C@H](NC(=O)C#CC(C)(C)C)C2)cn1 ZINC001481534314 1181666815 /nfs/dbraw/zinc/66/68/15/1181666815.db2.gz KXMVIVCUAFUUEF-CVEARBPZSA-N 1 2 328.460 2.476 10 30 EEEELO O=C(NCC1C[NH+](CC#Cc2ccc(F)cc2)C1)C1(C(F)F)CC1 ZINC001481625118 1181917454 /nfs/dbraw/zinc/91/74/54/1181917454.db2.gz SQDIPKUJRPYCTH-UHFFFAOYSA-N 1 2 336.357 2.271 10 30 EEEELO C=C(C)C(C)(C)C(=O)N[C@H]1CCC[N@@H+](CC(=O)N2CCC[C@H](C)C2)C1 ZINC001268216289 1182027903 /nfs/dbraw/zinc/02/79/03/1182027903.db2.gz DIKXBVNHOMWBEZ-IRXDYDNUSA-N 1 2 349.519 2.428 10 30 EEEELO C=C(C)C(C)(C)C(=O)N[C@H]1CCC[N@H+](CC(=O)N2CCC[C@H](C)C2)C1 ZINC001268216289 1182027907 /nfs/dbraw/zinc/02/79/07/1182027907.db2.gz DIKXBVNHOMWBEZ-IRXDYDNUSA-N 1 2 349.519 2.428 10 30 EEEELO C=C1CC(C)(C(=O)NCC2C[NH+](CC(=O)N(C)C3CCCCC3)C2)C1 ZINC001481644778 1182046388 /nfs/dbraw/zinc/04/63/88/1182046388.db2.gz BPCOBGHFULNQSS-UHFFFAOYSA-N 1 2 347.503 2.182 10 30 EEEELO C#Cc1ccc(C(=O)N(C)CC[N@H+](C)Cc2nc(C)sc2C)cn1 ZINC001268254773 1182085680 /nfs/dbraw/zinc/08/56/80/1182085680.db2.gz CMTWAAXRIYFWIH-UHFFFAOYSA-N 1 2 342.468 2.340 10 30 EEEELO C#Cc1ccc(C(=O)N(C)CC[N@@H+](C)Cc2nc(C)sc2C)cn1 ZINC001268254773 1182085686 /nfs/dbraw/zinc/08/56/86/1182085686.db2.gz CMTWAAXRIYFWIH-UHFFFAOYSA-N 1 2 342.468 2.340 10 30 EEEELO COCC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(CC(C)C)cc1 ZINC001481682436 1182197720 /nfs/dbraw/zinc/19/77/20/1182197720.db2.gz CXELYSUHYDEBJY-PMACEKPBSA-N 1 2 340.467 2.434 10 30 EEEELO COCC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(CC(C)C)cc1 ZINC001481682436 1182197722 /nfs/dbraw/zinc/19/77/22/1182197722.db2.gz CXELYSUHYDEBJY-PMACEKPBSA-N 1 2 340.467 2.434 10 30 EEEELO C=C(C)CCC(=O)N1CC[NH+](CCN(C)C(=O)C2CC3(CC3)C2)CC1 ZINC001745700934 1182442687 /nfs/dbraw/zinc/44/26/87/1182442687.db2.gz PXLWTYSZINHHHE-UHFFFAOYSA-N 1 2 347.503 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ZINC001269278761 1184132778 /nfs/dbraw/zinc/13/27/78/1184132778.db2.gz PBLHNJHIPNDPLN-MSOLQXFVSA-N 1 2 347.503 2.162 10 30 EEEELO CC#CCCCC(=O)NC[C@@H]1CC[N@@H+]1CC(=O)N1CCCC[C@H]1CC ZINC001269278761 1184132780 /nfs/dbraw/zinc/13/27/80/1184132780.db2.gz PBLHNJHIPNDPLN-MSOLQXFVSA-N 1 2 347.503 2.162 10 30 EEEELO C=CCCC(=O)N(CC)[C@H]1CC[N@H+](Cc2cc(=O)c(OC)co2)C1 ZINC001269314332 1184163835 /nfs/dbraw/zinc/16/38/35/1184163835.db2.gz SHKPBUHRXIMLAD-AWEZNQCLSA-N 1 2 334.416 2.037 10 30 EEEELO C=CCCC(=O)N(CC)[C@H]1CC[N@@H+](Cc2cc(=O)c(OC)co2)C1 ZINC001269314332 1184163840 /nfs/dbraw/zinc/16/38/40/1184163840.db2.gz SHKPBUHRXIMLAD-AWEZNQCLSA-N 1 2 334.416 2.037 10 30 EEEELO COCC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc(-c2ccoc2)c1 ZINC001269327010 1184171367 /nfs/dbraw/zinc/17/13/67/1184171367.db2.gz QXUQIDATEFITAR-LJQANCHMSA-N 1 2 338.407 2.401 10 30 EEEELO COCC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc(-c2ccoc2)c1 ZINC001269327010 1184171370 /nfs/dbraw/zinc/17/13/70/1184171370.db2.gz 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1193544707 /nfs/dbraw/zinc/54/47/07/1193544707.db2.gz YOVPJQJPOSPTCQ-QGZVFWFLSA-N 1 2 329.444 2.317 10 30 EEEELO CC#CCCCC(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccc(OC)nc1 ZINC001691653852 1193544709 /nfs/dbraw/zinc/54/47/09/1193544709.db2.gz YOVPJQJPOSPTCQ-QGZVFWFLSA-N 1 2 329.444 2.317 10 30 EEEELO C#CCC1(C(=O)NC/C=C\C[NH2+]Cc2nonc2C)CCCCC1 ZINC001483099742 1188476917 /nfs/dbraw/zinc/47/69/17/1188476917.db2.gz SPKKWHRWEOHBQX-FPLPWBNLSA-N 1 2 330.432 2.114 10 30 EEEELO CCCCCCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCCCO1 ZINC001272850982 1193576730 /nfs/dbraw/zinc/57/67/30/1193576730.db2.gz LWPKHYHQKMXJEL-IRXDYDNUSA-N 1 2 326.481 2.343 10 30 EEEELO CCCCCCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCCCO1 ZINC001272850982 1193576733 /nfs/dbraw/zinc/57/67/33/1193576733.db2.gz LWPKHYHQKMXJEL-IRXDYDNUSA-N 1 2 326.481 2.343 10 30 EEEELO C[C@@H](CC(=O)NCc1cccc2c1CCN(CC#N)C2)n1cc[nH+]c1 ZINC001272916971 1193603454 /nfs/dbraw/zinc/60/34/54/1193603454.db2.gz LLHSIFBUMPJTDG-HNNXBMFYSA-N 1 2 337.427 2.032 10 30 EEEELO CO[C@H](C(=O)N(C)C[C@H]1CC[N@@H+]1CC#Cc1ccc(F)cc1)C(C)C ZINC001691657795 1193606886 /nfs/dbraw/zinc/60/68/86/1193606886.db2.gz YZLQZFSGOJBGQP-MOPGFXCFSA-N 1 2 346.446 2.381 10 30 EEEELO CO[C@H](C(=O)N(C)C[C@H]1CC[N@H+]1CC#Cc1ccc(F)cc1)C(C)C ZINC001691657795 1193606887 /nfs/dbraw/zinc/60/68/87/1193606887.db2.gz YZLQZFSGOJBGQP-MOPGFXCFSA-N 1 2 346.446 2.381 10 30 EEEELO C=CCCC(=O)N(C)C[C@H](C)[NH2+]Cc1nn(C)cc1Br ZINC001485854301 1193616897 /nfs/dbraw/zinc/61/68/97/1193616897.db2.gz QQAPWSGTAWUFJM-NSHDSACASA-N 1 2 343.269 2.085 10 30 EEEELO CC1(C(=O)NC[C@H](CO)[NH2+]Cc2cc(F)ccc2C#N)CCCCC1 ZINC001486030158 1193668892 /nfs/dbraw/zinc/66/88/92/1193668892.db2.gz HHLNANPLHGQTNT-QGZVFWFLSA-N 1 2 347.434 2.234 10 30 EEEELO CC#CCCCC(=O)NC[C@H]1CC[N@@H+]1CC(=O)N(C(C)C)C(C)C ZINC001483671405 1190731340 /nfs/dbraw/zinc/73/13/40/1190731340.db2.gz BEZVLVRBDAKELA-QGZVFWFLSA-N 1 2 335.492 2.016 10 30 EEEELO CC#CCCCC(=O)NC[C@H]1CC[N@H+]1CC(=O)N(C(C)C)C(C)C ZINC001483671405 1190731341 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345.281 2.435 10 30 EEEELO CC(C)CC(=O)N[C@@]1(CO)CCC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001484426332 1191347727 /nfs/dbraw/zinc/34/77/27/1191347727.db2.gz LTQFYLXXKOUHFQ-IBGZPJMESA-N 1 2 347.434 2.187 10 30 EEEELO CC(C)CC(=O)N[C@@]1(CO)CCC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001484426332 1191347728 /nfs/dbraw/zinc/34/77/28/1191347728.db2.gz LTQFYLXXKOUHFQ-IBGZPJMESA-N 1 2 347.434 2.187 10 30 EEEELO CCCCCCC[N@@H+]1CCOC[C@H]1CNC(=O)c1n[nH]c(C)c1C ZINC001484588788 1191431723 /nfs/dbraw/zinc/43/17/23/1191431723.db2.gz IMGHPOVRSOGHOD-MRXNPFEDSA-N 1 2 336.480 2.428 10 30 EEEELO CCCCCCC[N@H+]1CCOC[C@H]1CNC(=O)c1n[nH]c(C)c1C ZINC001484588788 1191431725 /nfs/dbraw/zinc/43/17/25/1191431725.db2.gz IMGHPOVRSOGHOD-MRXNPFEDSA-N 1 2 336.480 2.428 10 30 EEEELO C=CCCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ncnc2ccsc21 ZINC001484596100 1191436155 /nfs/dbraw/zinc/43/61/55/1191436155.db2.gz YZFCYZBECYUAQM-ZDUSSCGKSA-N 1 2 346.456 2.088 10 30 EEEELO C=CCCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ncnc2ccsc21 ZINC001484596100 1191436157 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1194116406 /nfs/dbraw/zinc/11/64/06/1194116406.db2.gz LUCZGZBIBGPHME-UHFFFAOYSA-N 1 2 344.459 2.100 10 30 EEEELO C=CC(C)(C)CC(=O)NC[C@H]1CCCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001487130407 1197236055 /nfs/dbraw/zinc/23/60/55/1197236055.db2.gz BNIVGSPQHBCRLY-OAHLLOKOSA-N 1 2 346.475 2.442 10 30 EEEELO Cc1cc(C)c(C(=O)N2C[C@H](NC(=O)[C@@H](C)C#N)C(C)(C)C2)c(C)[nH+]1 ZINC001487274136 1197343105 /nfs/dbraw/zinc/34/31/05/1197343105.db2.gz WPXFNVWYCSFQHD-WFASDCNBSA-N 1 2 342.443 2.133 10 30 EEEELO C=C(Cl)C[C@@H]([NH3+])c1nc(Cc2cccc(S(C)(=O)=O)c2)no1 ZINC000872183860 1198078530 /nfs/dbraw/zinc/07/85/30/1198078530.db2.gz NWZOGQZUMWOOEI-GFCCVEGCSA-N 1 2 341.820 2.206 10 30 EEEELO CC(=O)[C@](C#N)(CC[N@@H+](C)[C@H]1CCCCN(C)C1=O)c1ccccc1 ZINC000872267053 1198120329 /nfs/dbraw/zinc/12/03/29/1198120329.db2.gz QSSVDSDWSFUAMX-AZUAARDMSA-N 1 2 341.455 2.370 10 30 EEEELO CC(=O)[C@](C#N)(CC[N@H+](C)[C@H]1CCCCN(C)C1=O)c1ccccc1 ZINC000872267053 1198120333 /nfs/dbraw/zinc/12/03/33/1198120333.db2.gz 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/nfs/dbraw/zinc/48/25/31/464482531.db2.gz AZMOEIBXKPWPPL-LSDHHAIUSA-N 1 2 328.372 2.091 10 30 EEEELO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000281577664 464510212 /nfs/dbraw/zinc/51/02/12/464510212.db2.gz UTCOYGSJTWSANB-HOCLYGCPSA-N 1 2 341.415 2.048 10 30 EEEELO C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000281577660 464510422 /nfs/dbraw/zinc/51/04/22/464510422.db2.gz UTCOYGSJTWSANB-GOEBONIOSA-N 1 2 341.415 2.048 10 30 EEEELO CC1(C#N)CC[NH+](Cc2nc(N)nc(Nc3ccc(F)cc3)n2)CC1 ZINC000272620893 464681131 /nfs/dbraw/zinc/68/11/31/464681131.db2.gz USDYDELFTWZRFS-UHFFFAOYSA-N 1 2 341.394 2.462 10 30 EEEELO C=CCn1c(CC(C)C)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000282263532 464756875 /nfs/dbraw/zinc/75/68/75/464756875.db2.gz LRIJARNPFUZEJS-UHFFFAOYSA-N 1 2 341.463 2.088 10 30 EEEELO N#CC1(C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)CCOCC1 ZINC000282339132 464781977 /nfs/dbraw/zinc/78/19/77/464781977.db2.gz OMYPORXCUJZWJR-HNNXBMFYSA-N 1 2 342.443 2.246 10 30 EEEELO 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C[C@@H]1C[C@@]2(CCO1)C[N@@H+](Cc1cnc3ccc(C#N)cn13)C[C@H](C)O2 ZINC000373978408 466989997 /nfs/dbraw/zinc/98/99/97/466989997.db2.gz RCMJZHFULCMJND-VCBZYWHSSA-N 1 2 340.427 2.364 10 30 EEEELO N#CCCC[C@@H]([NH3+])C(=O)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000424170103 466995524 /nfs/dbraw/zinc/99/55/24/466995524.db2.gz JDLVPLHTMCXYOF-CABCVRRESA-N 1 2 338.415 2.156 10 30 EEEELO CO[C@H]1C[C@@H]([N@H+](C)CCS(=O)(=O)c2cccc(C#N)c2)C12CCC2 ZINC000451860318 467274942 /nfs/dbraw/zinc/27/49/42/467274942.db2.gz WUVGXTRQISAPJD-SJORKVTESA-N 1 2 348.468 2.221 10 30 EEEELO CO[C@H]1C[C@@H]([N@@H+](C)CCS(=O)(=O)c2cccc(C#N)c2)C12CCC2 ZINC000451860318 467274947 /nfs/dbraw/zinc/27/49/47/467274947.db2.gz WUVGXTRQISAPJD-SJORKVTESA-N 1 2 348.468 2.221 10 30 EEEELO C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000437754785 467557429 /nfs/dbraw/zinc/55/74/29/467557429.db2.gz WQKQSJPZPAPTKY-WCQYABFASA-N 1 2 346.353 2.226 10 30 EEEELO N#Cc1cccc(-c2nnc(C[N@H+]3CCC[C@H]3c3ccc(=O)[nH]n3)o2)c1 ZINC000528788330 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IMMTWZUDQKHBCO-ILXRZTDVSA-N 1 2 337.464 2.189 10 30 EEEELO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1[C@@H](C)CC[C@H]1C(=O)OC(C)(C)C ZINC000593048180 468851357 /nfs/dbraw/zinc/85/13/57/468851357.db2.gz IMMTWZUDQKHBCO-ILXRZTDVSA-N 1 2 337.464 2.189 10 30 EEEELO CN1CC[N@H+](Cc2ccccc2)[C@@H](CNC(=O)CCCCC#N)C1 ZINC000598507522 468891864 /nfs/dbraw/zinc/89/18/64/468891864.db2.gz UONPRQJILPEEPF-SFHVURJKSA-N 1 2 328.460 2.003 10 30 EEEELO CN1CC[N@@H+](Cc2ccccc2)[C@@H](CNC(=O)CCCCC#N)C1 ZINC000598507522 468891866 /nfs/dbraw/zinc/89/18/66/468891866.db2.gz UONPRQJILPEEPF-SFHVURJKSA-N 1 2 328.460 2.003 10 30 EEEELO COC(=O)c1ccc(C[NH+]2CCN(c3ccsc3C#N)CC2)nc1 ZINC000595629639 468930982 /nfs/dbraw/zinc/93/09/82/468930982.db2.gz HQMSZMUICKNUTD-UHFFFAOYSA-N 1 2 342.424 2.124 10 30 EEEELO N#Cc1cc(F)cc(NC(=O)c2ccc(C[NH+]3CCOCC3)cn2)c1 ZINC000601712783 468981425 /nfs/dbraw/zinc/98/14/25/468981425.db2.gz YOLQVWOJEFFEPR-UHFFFAOYSA-N 1 2 340.358 2.177 10 30 EEEELO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CC[C@](C)(C#N)C2)c(OC)c1 ZINC000595835263 469033473 /nfs/dbraw/zinc/03/34/73/469033473.db2.gz PWQKYWJSZSREHB-VQIMIIECSA-N 1 2 330.428 2.399 10 30 EEEELO C=CCc1ccc(OC[C@H](O)C[N@H+]2CC[C@](C)(C#N)C2)c(OC)c1 ZINC000595835263 469033477 /nfs/dbraw/zinc/03/34/77/469033477.db2.gz PWQKYWJSZSREHB-VQIMIIECSA-N 1 2 330.428 2.399 10 30 EEEELO N#Cc1cccc(-c2nnc(C[N@@H+]3CCO[C@H](C(F)F)CC3)o2)c1 ZINC000601972809 469120294 /nfs/dbraw/zinc/12/02/94/469120294.db2.gz FWIDFZCGFWQCSC-ZDUSSCGKSA-N 1 2 334.326 2.464 10 30 EEEELO N#Cc1cccc(-c2nnc(C[N@H+]3CCO[C@H](C(F)F)CC3)o2)c1 ZINC000601972809 469120297 /nfs/dbraw/zinc/12/02/97/469120297.db2.gz FWIDFZCGFWQCSC-ZDUSSCGKSA-N 1 2 334.326 2.464 10 30 EEEELO Cc1cc(C[NH+]2CCN(c3cc(C)c([N+](=O)[O-])c(C#N)c3)CC2)on1 ZINC000596063625 469134275 /nfs/dbraw/zinc/13/42/75/469134275.db2.gz XDHMKFHTNVUDDC-UHFFFAOYSA-N 1 2 341.371 2.394 10 30 EEEELO N#Cc1cc2cccnc2nc1NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000596065934 469136714 /nfs/dbraw/zinc/13/67/14/469136714.db2.gz YMSMOCOPOWVIJW-UHFFFAOYSA-N 1 2 346.394 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C[C@@H]([NH2+]C[C@H](O)COc1ccc(F)cc1)c1cccc(C#N)c1O ZINC000866242541 1201474910 /nfs/dbraw/zinc/47/49/10/1201474910.db2.gz CSBAJQPPAJXZRH-DOMZBBRYSA-N 1 2 330.359 2.493 10 30 EEEELO COc1cccc(C(=O)NCC[NH2+][C@@H](C)c2cccc(C#N)c2O)c1 ZINC000866246641 1201475284 /nfs/dbraw/zinc/47/52/84/1201475284.db2.gz CQWNSVBNCFXHMK-ZDUSSCGKSA-N 1 2 339.395 2.353 10 30 EEEELO CCCCCCCNC(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000867994581 1201722579 /nfs/dbraw/zinc/72/25/79/1201722579.db2.gz AASHLMLKMITIKM-UHFFFAOYSA-N 1 2 333.480 2.317 10 30 EEEELO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCCC[C@@H]1c1ccc(C)cc1 ZINC000884137514 1202240771 /nfs/dbraw/zinc/24/07/71/1202240771.db2.gz OSTYEXFAZVZMSH-DLBZAZTESA-N 1 2 330.428 2.495 10 30 EEEELO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H](C1CCCCC1)C(F)(F)F ZINC000884172368 1202249683 /nfs/dbraw/zinc/24/96/83/1202249683.db2.gz TUYPVIFWUVTXLM-WCQYABFASA-N 1 2 336.354 2.060 10 30 EEEELO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000884312592 1202290522 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346.456 2.394 10 30 EEEELO C=CCC1(C(=O)NC[C@H](C)[N@H+](C)Cc2nocc2C)CCOCC1 ZINC001275987530 1205620088 /nfs/dbraw/zinc/62/00/88/1205620088.db2.gz SVUVZVKVUDTORZ-HNNXBMFYSA-N 1 2 335.448 2.292 10 30 EEEELO C=CCC1(C(=O)NC[C@H](C)[N@@H+](C)Cc2nocc2C)CCOCC1 ZINC001275987530 1205620089 /nfs/dbraw/zinc/62/00/89/1205620089.db2.gz SVUVZVKVUDTORZ-HNNXBMFYSA-N 1 2 335.448 2.292 10 30 EEEELO CCOC(=O)[C@H](CCc1ccccc1)[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000930826791 1206586120 /nfs/dbraw/zinc/58/61/20/1206586120.db2.gz AGCLFXCPKSFKOO-LNLFQRSKSA-N 1 2 343.471 2.469 10 30 EEEELO C=CCCC[N@@H+](CC)CC(=O)Nc1cc(S(C)(=O)=O)ccc1F ZINC000934646720 1207997311 /nfs/dbraw/zinc/99/73/11/1207997311.db2.gz NZFMIDRKTXHAMS-UHFFFAOYSA-N 1 2 342.436 2.456 10 30 EEEELO C=CCCC[N@H+](CC)CC(=O)Nc1cc(S(C)(=O)=O)ccc1F ZINC000934646720 1207997313 /nfs/dbraw/zinc/99/73/13/1207997313.db2.gz NZFMIDRKTXHAMS-UHFFFAOYSA-N 1 2 342.436 2.456 10 30 EEEELO C#CCCCC(=O)NC[C@@H]1CC[N@H+](Cc2nnc(C3CC3)s2)C1 ZINC001493205413 1209732165 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DQCFZSODMUIDDQ-OWCLPIDISA-N 1 2 348.447 2.055 10 30 EEEELO C=CC[N@H+](CCN1CCCc2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000152578811 462551195 /nfs/dbraw/zinc/55/11/95/462551195.db2.gz RKYJMHFDBPUCTH-QGZVFWFLSA-N 1 2 334.485 2.114 10 30 EEEELO C=CC[N@@H+](CCN1CCCc2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000152578811 462551201 /nfs/dbraw/zinc/55/12/01/462551201.db2.gz RKYJMHFDBPUCTH-QGZVFWFLSA-N 1 2 334.485 2.114 10 30 EEEELO COc1nccc(C[NH+]2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)n1 ZINC000590714613 468315918 /nfs/dbraw/zinc/31/59/18/468315918.db2.gz NSKREOHCAWUIBP-KRWDZBQOSA-N 1 2 341.390 2.007 10 30 EEEELO Cc1nn(C)c(C)c1C[NH+]1CCN(Cc2cc(C#N)cs2)CC1 ZINC000121464263 463139860 /nfs/dbraw/zinc/13/98/60/463139860.db2.gz VLZUNZPHVCAGTD-UHFFFAOYSA-N 1 2 329.473 2.288 10 30 EEEELO Cc1nn(C)c(C)c1CN1CC[NH+](Cc2cc(C#N)cs2)CC1 ZINC000121464263 463139864 /nfs/dbraw/zinc/13/98/64/463139864.db2.gz VLZUNZPHVCAGTD-UHFFFAOYSA-N 1 2 329.473 2.288 10 30 EEEELO C=CCNC(=O)CN1CC[N@@H+](Cc2ccc(C)nc2)C[C@@H]1[C@@H](C)CC 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EEEELO C=CCCC(=O)N1CCC2(CC1)C[N@@H+](Cc1c(C)noc1C)CCO2 ZINC001485008646 1191614192 /nfs/dbraw/zinc/61/41/92/1191614192.db2.gz QCGWNGDNASZRDB-UHFFFAOYSA-N 1 2 347.459 2.451 10 30 EEEELO C[C@H](C#N)C(=O)NC[C@H](C)[N@H+](C)Cc1ncc(-c2cccs2)o1 ZINC001485285971 1191726514 /nfs/dbraw/zinc/72/65/14/1191726514.db2.gz JMTILWGRCJEARD-NEPJUHHUSA-N 1 2 332.429 2.499 10 30 EEEELO C[C@H](C#N)C(=O)NC[C@H](C)[N@@H+](C)Cc1ncc(-c2cccs2)o1 ZINC001485285971 1191726515 /nfs/dbraw/zinc/72/65/15/1191726515.db2.gz JMTILWGRCJEARD-NEPJUHHUSA-N 1 2 332.429 2.499 10 30 EEEELO CC(C)C#CC(=O)NC[C@@H](C)[N@H+](C)CC(=O)Nc1ccc(Cl)cc1 ZINC001485304924 1191735845 /nfs/dbraw/zinc/73/58/45/1191735845.db2.gz XMTQDEZOIQXOOL-CQSZACIVSA-N 1 2 349.862 2.374 10 30 EEEELO CC(C)C#CC(=O)NC[C@@H](C)[N@@H+](C)CC(=O)Nc1ccc(Cl)cc1 ZINC001485304924 1191735847 /nfs/dbraw/zinc/73/58/47/1191735847.db2.gz XMTQDEZOIQXOOL-CQSZACIVSA-N 1 2 349.862 2.374 10 30 EEEELO CCc1ccccc1CC[NH+]1CC(CCO)(NC(=O)C#CC(C)C)C1 ZINC001485406300 1191778219 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C[C@@H]([NH2+]C[C@H](N1CCOCC1)C(F)(F)F)c1cccc(C#N)c1O ZINC000866359480 1201500206 /nfs/dbraw/zinc/50/02/06/1201500206.db2.gz STRKZMSAAVUVDL-RISCZKNCSA-N 1 2 343.349 2.178 10 30 EEEELO C=CCC[C@@H]([NH2+]Cc1nnc(COC)[nH]1)[C@H]1Cc2ccccc2O1 ZINC000883234979 1202034640 /nfs/dbraw/zinc/03/46/40/1202034640.db2.gz QPNDSUHXJVAMJD-GDBMZVCRSA-N 1 2 328.416 2.379 10 30 EEEELO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CCCC[C@H]1Cc1ccccc1 ZINC000884123352 1202237804 /nfs/dbraw/zinc/23/78/04/1202237804.db2.gz QCSNBNIEWRYIBO-OKZBNKHCSA-N 1 2 344.455 2.351 10 30 EEEELO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H](C)c1ccc(SCC)cc1 ZINC000884124016 1202238245 /nfs/dbraw/zinc/23/82/45/1202238245.db2.gz LAKKRLJGSYENDE-DOMZBBRYSA-N 1 2 336.457 2.422 10 30 EEEELO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)[C@H](C)c1nc2ccccc2s1 ZINC000884180378 1202251401 /nfs/dbraw/zinc/25/14/01/1202251401.db2.gz WMZLKTLWPAWRAK-NEPJUHHUSA-N 1 2 347.440 2.262 10 30 EEEELO CC(C)c1nsc(C[NH2+]C/C=C\CNC(=O)C#CC(C)(C)C)n1 ZINC001274018303 1204325468 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EEEELO N#Cc1cc(C[N@H+]2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)ccc1F ZINC000856543159 1293562123 /nfs/dbraw/zinc/56/21/23/1293562123.db2.gz AAAQPOJQCTXBPT-DLBZAZTESA-N 1 2 338.386 2.048 10 30 EEEELO COc1ccc([C@H]2CC[N@H+](Cn3cccc(C#N)c3=O)C2)cc1F ZINC000863335951 1296230682 /nfs/dbraw/zinc/23/06/82/1296230682.db2.gz PJHVISSSDXZDEA-HNNXBMFYSA-N 1 2 327.359 2.315 10 30 EEEELO COc1ccc([C@H]2CC[N@@H+](Cn3cccc(C#N)c3=O)C2)cc1F ZINC000863335951 1296230691 /nfs/dbraw/zinc/23/06/91/1296230691.db2.gz PJHVISSSDXZDEA-HNNXBMFYSA-N 1 2 327.359 2.315 10 30 EEEELO C=CCOCC(=O)NC[C@H]1CC[N@@H+]1Cc1cc(-c2ccccc2)no1 ZINC001276809220 1298187974 /nfs/dbraw/zinc/18/79/74/1298187974.db2.gz JMCDONYOABYSAQ-MRXNPFEDSA-N 1 2 341.411 2.235 10 30 EEEELO C=CCOCC(=O)NC[C@H]1CC[N@H+]1Cc1cc(-c2ccccc2)no1 ZINC001276809220 1298187984 /nfs/dbraw/zinc/18/79/84/1298187984.db2.gz JMCDONYOABYSAQ-MRXNPFEDSA-N 1 2 341.411 2.235 10 30 EEEELO N#CCSCC(=O)N1CC2(C1)CCC[N@@H+](C/C(Cl)=C/Cl)C2 ZINC001276847993 1299915413 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EEEELO C[C@@]1(NC(=O)CSCC#N)CC[N@@H+](Cc2cccc(F)c2F)C1 ZINC001278364826 1309804126 /nfs/dbraw/zinc/80/41/26/1309804126.db2.gz YVAHCOCXIDVILO-MRXNPFEDSA-N 1 2 339.411 2.302 10 30 EEEELO C#CCCCC(=O)N1C[C@H]([NH2+]Cc2noc(-c3ccoc3)n2)C[C@@H]1C ZINC001278372161 1309868454 /nfs/dbraw/zinc/86/84/54/1309868454.db2.gz TXYRNZDOBVURCZ-DZGCQCFKSA-N 1 2 342.399 2.212 10 30 EEEELO C=CCC(CC=C)C(=O)N[C@]1(C)CC[N@@H+](Cc2cncc(OC)n2)C1 ZINC001278396750 1310023156 /nfs/dbraw/zinc/02/31/56/1310023156.db2.gz QINXOZAQSLUOGK-LJQANCHMSA-N 1 2 344.459 2.334 10 30 EEEELO C=CCC(CC=C)C(=O)N[C@]1(C)CC[N@H+](Cc2cncc(OC)n2)C1 ZINC001278396750 1310023162 /nfs/dbraw/zinc/02/31/62/1310023162.db2.gz QINXOZAQSLUOGK-LJQANCHMSA-N 1 2 344.459 2.334 10 30 EEEELO C=CCn1c(C[NH+]2CCCCC2)nnc1N1C[C@H](OC)CC[C@H]1C ZINC001121519126 1310039246 /nfs/dbraw/zinc/03/92/46/1310039246.db2.gz HMMVIPVNZQPGMM-HZPDHXFCSA-N 1 2 333.480 2.454 10 30 EEEELO Cc1nc(C[N@H+]2CCC[C@@H](NC(=O)CSCC#N)[C@H]2C)c(C)o1 ZINC001278499753 1310842817 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C[NH+](C)C[C@@](C)(C#N)NC(=O)Cc1ccc(Br)s1 ZINC000581014593 468487396 /nfs/dbraw/zinc/48/73/96/468487396.db2.gz NOAKOTOKLWXLST-GFCCVEGCSA-N 1 2 330.251 2.013 10 30 EEEELO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000373910913 466964310 /nfs/dbraw/zinc/96/43/10/466964310.db2.gz IASOBTGVBILADA-WBVHZDCISA-N 1 2 341.415 2.048 10 30 EEEELO Cc1cc(NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)c(C#N)cn1 ZINC000425202460 467088679 /nfs/dbraw/zinc/08/86/79/467088679.db2.gz BZIPTZUOKIHPNU-GASCZTMLSA-N 1 2 337.427 2.304 10 30 EEEELO CC(C)(C)N1CC[C@H]([NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)C1=O ZINC000425420441 467093572 /nfs/dbraw/zinc/09/35/72/467093572.db2.gz SLFIDEJOXQHENA-ROUUACIJSA-N 1 2 340.471 2.268 10 30 EEEELO Cc1ncc(S(=O)(=O)Nc2cccc(-n3cc[nH+]c3)c2)cc1C#N ZINC000427792517 467179056 /nfs/dbraw/zinc/17/90/56/467179056.db2.gz JLYUSBREFPBCAA-UHFFFAOYSA-N 1 2 339.380 2.248 10 30 EEEELO CCCc1[nH+]c2ccccc2n1CCC(=O)N(CC#N)CCOC ZINC000457202659 467775866 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346.475 2.285 10 30 EEEELO C=CCCC(=O)N(C)CC[NH+]1CCN(C(=O)[C@H]2CC[C@H](C)CC2)CC1 ZINC001296824474 1329922233 /nfs/dbraw/zinc/92/22/33/1329922233.db2.gz JCUFAAVXHBYPPQ-IYARVYRRSA-N 1 2 349.519 2.382 10 30 EEEELO C=C1CCC(C(=O)N[C@H](CC)CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001297416542 1329970242 /nfs/dbraw/zinc/97/02/42/1329970242.db2.gz HBALBZDCRJPJGT-GDBMZVCRSA-N 1 2 346.475 2.346 10 30 EEEELO C=C1CCC(C(=O)N[C@H](CC)CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001297416542 1329970244 /nfs/dbraw/zinc/97/02/44/1329970244.db2.gz HBALBZDCRJPJGT-GDBMZVCRSA-N 1 2 346.475 2.346 10 30 EEEELO C=C(C)CCC(=O)NC[C@H]1CCCN1C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001297678684 1329994378 /nfs/dbraw/zinc/99/43/78/1329994378.db2.gz HONJKZHKIJNFDO-MRXNPFEDSA-N 1 2 346.475 2.390 10 30 EEEELO C=C(C)C(C)(C)C(=O)NCC[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001297911262 1330014924 /nfs/dbraw/zinc/01/49/24/1330014924.db2.gz PQDJCLDCERIJRN-MRXNPFEDSA-N 1 2 346.475 2.442 10 30 EEEELO C=CCC1(C(=O)NC[C@@H]2CCC[C@@H]2NC(=O)Cn2cc[nH+]c2)CCC1 ZINC001298127646 1330039060 /nfs/dbraw/zinc/03/90/60/1330039060.db2.gz GWIOLTOWULDZSJ-HOTGVXAUSA-N 1 2 344.459 2.031 10 30 EEEELO C=CCC1(C(=O)NC[C@H]2CCC[C@H]2NC(=O)Cc2[nH]cc[nH+]2)CCC1 ZINC001298137784 1330041362 /nfs/dbraw/zinc/04/13/62/1330041362.db2.gz UWBXCPQLWIKCTM-HUUCEWRRSA-N 1 2 344.459 2.100 10 30 EEEELO C=C[C@@](C)(CC)C(=O)NCC[N@H+](C)CC(=O)N(C)C1CCCCC1 ZINC001492399384 1331216978 /nfs/dbraw/zinc/21/69/78/1331216978.db2.gz GOOWDSMQXSJIPG-IBGZPJMESA-N 1 2 337.508 2.428 10 30 EEEELO C=C[C@@](C)(CC)C(=O)NCC[N@@H+](C)CC(=O)N(C)C1CCCCC1 ZINC001492399384 1331216981 /nfs/dbraw/zinc/21/69/81/1331216981.db2.gz GOOWDSMQXSJIPG-IBGZPJMESA-N 1 2 337.508 2.428 10 30 EEEELO C=C(Br)C[N@@H+](C)CCOCCN(C)C(=O)C1CCC1 ZINC001316761149 1331878218 /nfs/dbraw/zinc/87/82/18/1331878218.db2.gz XSYSQDWBPMMCRS-UHFFFAOYSA-N 1 2 333.270 2.102 10 30 EEEELO C=C(Br)C[N@H+](C)CCOCCN(C)C(=O)C1CCC1 ZINC001316761149 1331878223 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1332523187 /nfs/dbraw/zinc/52/31/87/1332523187.db2.gz HNNKAEMSMRQHMU-ZPZLLIBOSA-N 1 2 339.439 2.105 10 30 EEEELO C=C(C)[C@@H](CC(=O)N(C)[C@H]1CC[N@H+](Cc2ncc(C)o2)C1)OCC ZINC001318407039 1332526675 /nfs/dbraw/zinc/52/66/75/1332526675.db2.gz MCMKCKUSHQFXRO-JKSUJKDBSA-N 1 2 335.448 2.387 10 30 EEEELO C=C(C)[C@@H](CC(=O)N(C)[C@H]1CC[N@@H+](Cc2ncc(C)o2)C1)OCC ZINC001318407039 1332526677 /nfs/dbraw/zinc/52/66/77/1332526677.db2.gz MCMKCKUSHQFXRO-JKSUJKDBSA-N 1 2 335.448 2.387 10 30 EEEELO CCN(C(=O)C#CC1CC1)[C@H]1CC[N@H+](Cc2ccn(C(C)C)n2)C1 ZINC001318469479 1332544508 /nfs/dbraw/zinc/54/45/08/1332544508.db2.gz DVSTVNQFMZWALT-SFHVURJKSA-N 1 2 328.460 2.300 10 30 EEEELO CCN(C(=O)C#CC1CC1)[C@H]1CC[N@@H+](Cc2ccn(C(C)C)n2)C1 ZINC001318469479 1332544510 /nfs/dbraw/zinc/54/45/10/1332544510.db2.gz DVSTVNQFMZWALT-SFHVURJKSA-N 1 2 328.460 2.300 10 30 EEEELO Cn1c(Cl)cnc1C[NH+]1CCC(CCNC(=O)C#CC2CC2)CC1 ZINC001319019646 1332638012 /nfs/dbraw/zinc/63/80/12/1332638012.db2.gz ZEXZGDNPENVFQM-UHFFFAOYSA-N 1 2 348.878 2.205 10 30 EEEELO C=CCO[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2C(=O)OCC)C1 ZINC001320039663 1332814467 /nfs/dbraw/zinc/81/44/67/1332814467.db2.gz OFJZGXPPFHEJGY-CQSZACIVSA-N 1 2 332.400 2.079 10 30 EEEELO C=CCO[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2C(=O)OCC)C1 ZINC001320039663 1332814472 /nfs/dbraw/zinc/81/44/72/1332814472.db2.gz OFJZGXPPFHEJGY-CQSZACIVSA-N 1 2 332.400 2.079 10 30 EEEELO C=CCO[C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC001320188021 1332846472 /nfs/dbraw/zinc/84/64/72/1332846472.db2.gz SRWVWWYDYDRHSR-CQSZACIVSA-N 1 2 342.355 2.198 10 30 EEEELO Cc1ccoc1-c1nnc(C[NH2+]C/C=C\CNC(=O)C#CC(C)C)o1 ZINC001321050109 1333005594 /nfs/dbraw/zinc/00/55/94/1333005594.db2.gz BQRVWBXLOSVUQG-PLNGDYQASA-N 1 2 342.399 2.059 10 30 EEEELO C=CCCC(=O)NC[C@H]1CC[N@H+]1[C@@H](C)C(=O)NCC1CCCCC1 ZINC001323199865 1333410066 /nfs/dbraw/zinc/41/00/66/1333410066.db2.gz SPUBVUJUSGALCD-DOTOQJQBSA-N 1 2 335.492 2.228 10 30 EEEELO C=CCCC(=O)NC[C@H]1CC[N@@H+]1[C@@H](C)C(=O)NCC1CCCCC1 ZINC001323199865 1333410067 /nfs/dbraw/zinc/41/00/67/1333410067.db2.gz SPUBVUJUSGALCD-DOTOQJQBSA-N 1 2 335.492 2.228 10 30 EEEELO C=CC(C)(C)CC(=O)NC[C@H]1CC[N@H+]1CC(=O)N1CCCC[C@@H]1C ZINC001323240705 1333419735 /nfs/dbraw/zinc/41/97/35/1333419735.db2.gz CTBUIQKKEGSNQT-JKSUJKDBSA-N 1 2 335.492 2.180 10 30 EEEELO C=CC(C)(C)CC(=O)NC[C@H]1CC[N@@H+]1CC(=O)N1CCCC[C@@H]1C ZINC001323240705 1333419736 /nfs/dbraw/zinc/41/97/36/1333419736.db2.gz CTBUIQKKEGSNQT-JKSUJKDBSA-N 1 2 335.492 2.180 10 30 EEEELO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@H]1CNC(=O)[C@@H](C)C(C)(C)C ZINC001323261774 1333425480 /nfs/dbraw/zinc/42/54/80/1333425480.db2.gz KKWIZSQNDFAIJH-HZPDHXFCSA-N 1 2 335.492 2.060 10 30 EEEELO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@H]1CNC(=O)[C@@H](C)C(C)(C)C ZINC001323261774 1333425484 /nfs/dbraw/zinc/42/54/84/1333425484.db2.gz KKWIZSQNDFAIJH-HZPDHXFCSA-N 1 2 335.492 2.060 10 30 EEEELO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)CCCC3CCCC3)CC2)C1 ZINC001324571608 1333712918 /nfs/dbraw/zinc/71/29/18/1333712918.db2.gz NOMAQTPHGSOXBC-GOSISDBHSA-N 1 2 332.492 2.089 10 30 EEEELO C=CC(C)(C)CC(=O)NC[C@@]1(C)CCC[N@@H+](Cc2cnn(C)n2)C1 ZINC001324934987 1333789877 /nfs/dbraw/zinc/78/98/77/1333789877.db2.gz AARGKCVNLHQQDL-GOSISDBHSA-N 1 2 333.480 2.136 10 30 EEEELO C=CC(C)(C)CC(=O)NC[C@@]1(C)CCC[N@H+](Cc2cnn(C)n2)C1 ZINC001324934987 1333789879 /nfs/dbraw/zinc/78/98/79/1333789879.db2.gz AARGKCVNLHQQDL-GOSISDBHSA-N 1 2 333.480 2.136 10 30 EEEELO C=CC(C)(C)CC(=O)NC[C@@]1(O)CC[N@H+](C/C(Cl)=C/Cl)C1 ZINC001325095344 1333827567 /nfs/dbraw/zinc/82/75/67/1333827567.db2.gz CIMGDABPMQKDDZ-PINLSGDHSA-N 1 2 335.275 2.461 10 30 EEEELO C=CC(C)(C)CC(=O)NC[C@@]1(O)CC[N@@H+](C/C(Cl)=C/Cl)C1 ZINC001325095344 1333827570 /nfs/dbraw/zinc/82/75/70/1333827570.db2.gz CIMGDABPMQKDDZ-PINLSGDHSA-N 1 2 335.275 2.461 10 30 EEEELO C=C[C@@H](CC)CC(=O)NC[C@]1(O)CC[N@H+](CC(=C)Br)C1 ZINC001325123847 1333833452 /nfs/dbraw/zinc/83/34/52/1333833452.db2.gz QMKDNAIQFQUKJA-DZGCQCFKSA-N 1 2 345.281 2.050 10 30 EEEELO C=C[C@@H](CC)CC(=O)NC[C@]1(O)CC[N@@H+](CC(=C)Br)C1 ZINC001325123847 1333833454 /nfs/dbraw/zinc/83/34/54/1333833454.db2.gz QMKDNAIQFQUKJA-DZGCQCFKSA-N 1 2 345.281 2.050 10 30 EEEELO C#CCCCCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1csnn1)C2 ZINC001325334345 1333866931 /nfs/dbraw/zinc/86/69/31/1333866931.db2.gz UYIHZKGKJNCDRI-LZWOXQAQSA-N 1 2 332.473 2.201 10 30 EEEELO C#CCCCCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1csnn1)C2 ZINC001325334345 1333866933 /nfs/dbraw/zinc/86/69/33/1333866933.db2.gz UYIHZKGKJNCDRI-LZWOXQAQSA-N 1 2 332.473 2.201 10 30 EEEELO C=CCCC(=O)N1C[C@@H]2C[N@H+](Cc3nc([C@@H](C)OCC)no3)C[C@@H]2C1 ZINC001325720479 1333947125 /nfs/dbraw/zinc/94/71/25/1333947125.db2.gz KOPHUGDRVGDRSD-KFWWJZLASA-N 1 2 348.447 2.024 10 30 EEEELO C=CCCC(=O)N1C[C@@H]2C[N@@H+](Cc3nc([C@@H](C)OCC)no3)C[C@@H]2C1 ZINC001325720479 1333947128 /nfs/dbraw/zinc/94/71/28/1333947128.db2.gz KOPHUGDRVGDRSD-KFWWJZLASA-N 1 2 348.447 2.024 10 30 EEEELO CCC/C=C/CC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccc(C#N)[nH]1 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C#CC1(O)CC[NH+](Cc2nc(-c3cc(F)c(F)c(F)c3)no2)CC1 ZINC000931146140 1206610837 /nfs/dbraw/zinc/61/08/37/1206610837.db2.gz UTTGMBCKUPIOOI-UHFFFAOYSA-N 1 2 337.301 2.114 10 30 EEEELO C(#CC[NH2+][C@H](c1ncccn1)C1CC1)CN[C@H](c1ncccn1)C1CC1 ZINC000932356545 1207589644 /nfs/dbraw/zinc/58/96/44/1207589644.db2.gz OMHQDHQODMSKHA-ROUUACIJSA-N 1 2 348.454 2.052 10 30 EEEELO C=CC1(CC(=O)N2CCO[C@@H](C[NH+]3CCOCC3)C2)CCCCC1 ZINC000827914893 1249023206 /nfs/dbraw/zinc/02/32/06/1249023206.db2.gz AHQBGEQOCQRXJR-KRWDZBQOSA-N 1 2 336.476 2.073 10 30 EEEELO C=CCCC[N@@H+](CC)Cn1nc(C)n(CC(=O)N(C)C)c1=S ZINC000902669686 1238168655 /nfs/dbraw/zinc/16/86/55/1238168655.db2.gz QDQSSYNYDZKRKB-UHFFFAOYSA-N 1 2 325.482 2.056 10 30 EEEELO C=CCCC[N@H+](CC)Cn1nc(C)n(CC(=O)N(C)C)c1=S ZINC000902669686 1238168659 /nfs/dbraw/zinc/16/86/59/1238168659.db2.gz QDQSSYNYDZKRKB-UHFFFAOYSA-N 1 2 325.482 2.056 10 30 EEEELO C=CC(C)(C)CC(=O)NC[C@H](C)[NH2+]Cc1nc(CC(F)(F)F)no1 ZINC001491468828 1259120737 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C=CCC1(C(=O)N[C@@H](C)CNC(=O)CCc2[nH]cc[nH+]2)CCCCC1 ZINC001534173449 1123300736 /nfs/dbraw/zinc/30/07/36/1123300736.db2.gz UNCVXTWLMMBOEE-HNNXBMFYSA-N 1 2 346.475 2.490 10 30 EEEELO C#CC[NH+]1CCN(c2nnc([C@H](C)CC)n2CCOC(C)(C)C)CC1 ZINC001539429569 1124056789 /nfs/dbraw/zinc/05/67/89/1124056789.db2.gz ASGNUNXVRCWZNB-MRXNPFEDSA-N 1 2 347.507 2.362 10 30 EEEELO C#CC[NH+]1CCN(c2nnc(CC)n2C[C@H]2CCC(F)(F)C2)CC1 ZINC001539452468 1124057188 /nfs/dbraw/zinc/05/71/88/1124057188.db2.gz UAWIBPGUOFBYIC-AWEZNQCLSA-N 1 2 337.418 2.031 10 30 EEEELO C#CC[NH+]1CCN(c2nnc(-c3ccc(OC)cc3)n2CCC)CC1 ZINC001539436477 1124057473 /nfs/dbraw/zinc/05/74/73/1124057473.db2.gz UDAZCNPAFYAKIS-UHFFFAOYSA-N 1 2 339.443 2.119 10 30 EEEELO C#CC[NH+]1CCN(c2nnc(C(C)C)n2C[C@H](OC)[C@@H](C)CC)CC1 ZINC001539431343 1124057694 /nfs/dbraw/zinc/05/76/94/1124057694.db2.gz RDHXBYLJLPYTGK-IRXDYDNUSA-N 1 2 347.507 2.218 10 30 EEEELO CN(CC[N@H+](C)CC#Cc1ccccc1)C(=O)c1cccc2n[nH]nc21 ZINC001568484411 1124540965 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N#Cc1ccc2[nH+]cc(CN3CCN(c4cccs4)C(=O)C3)n2c1 ZINC000185669554 160045018 /nfs/dbraw/zinc/04/50/18/160045018.db2.gz JQOABGIMCSCJOY-UHFFFAOYSA-N 1 2 337.408 2.116 10 30 EEEELO C[C@H](C(=O)Nc1ccccc1)[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000355120794 163086216 /nfs/dbraw/zinc/08/62/16/163086216.db2.gz FYUKSJYCHIHLAI-OAHLLOKOSA-N 1 2 335.411 2.102 10 30 EEEELO C[C@@H](CNS(=O)(=O)c1ccc(Cl)c(C#N)c1)Cn1cc[nH+]c1 ZINC000360524142 164328763 /nfs/dbraw/zinc/32/87/63/164328763.db2.gz FPZKYWGGHLCBHD-NSHDSACASA-N 1 2 338.820 2.023 10 30 EEEELO N#Cc1cnc2c(F)cc(F)cc2c1N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173976295 274930031 /nfs/dbraw/zinc/93/00/31/274930031.db2.gz KDOHNRQFTJZTEE-CQSZACIVSA-N 1 2 344.365 2.296 10 30 EEEELO N#Cc1cc(F)c(C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)c(F)c1 ZINC000152406389 294880017 /nfs/dbraw/zinc/88/00/17/294880017.db2.gz IZQNMSFPGOXFGB-AWEZNQCLSA-N 1 2 349.381 2.163 10 30 EEEELO COc1ccccc1[C@H](C)[NH+]1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC000095406910 295398720 /nfs/dbraw/zinc/39/87/20/295398720.db2.gz SZFSQXRIHGYPIC-AWEZNQCLSA-N 1 2 338.411 2.414 10 30 EEEELO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000547984077 318341199 /nfs/dbraw/zinc/34/11/99/318341199.db2.gz SGKJMUPGBJKCOI-CRAIPNDOSA-N 1 2 338.411 2.289 10 30 EEEELO CCCc1[nH+]c2ccccc2n1CCC(=O)N[C@](C)(C#N)COC ZINC000354766554 465140801 /nfs/dbraw/zinc/14/08/01/465140801.db2.gz CYYBTRMMPKFSEM-GOSISDBHSA-N 1 2 328.416 2.424 10 30 EEEELO C=CCNC(=O)C[NH+]1CCN(c2ncc(-c3ccccc3)s2)CC1 ZINC000354893413 465209769 /nfs/dbraw/zinc/20/97/69/465209769.db2.gz NOZNWKAMSISFHZ-UHFFFAOYSA-N 1 2 342.468 2.234 10 30 EEEELO C[C@H](O)CNc1[nH+]c2ccccc2n1CCCC1(C#N)CCOCC1 ZINC000337281331 465283515 /nfs/dbraw/zinc/28/35/15/465283515.db2.gz WCMKNGBUUYFWHP-HNNXBMFYSA-N 1 2 342.443 2.930 10 30 EEEELO NC(=[NH2+])Nc1nc(C(=O)Nc2nc3cc(F)ccc3s2)cs1 ZINC000006094098 462676848 /nfs/dbraw/zinc/67/68/48/462676848.db2.gz MCYWZNLJNZNGAJ-UHFFFAOYSA-N 1 2 336.377 2.049 10 30 investigational EEEELO C=C(C)CN(CC)C(=O)Cn1c2ccccc2[nH+]c1NC[C@@H](C)O ZINC000078538437 463125260 /nfs/dbraw/zinc/12/52/60/463125260.db2.gz ZIHGFKDMSMZVRD-CQSZACIVSA-N 1 2 330.432 2.254 10 30 EEEELO N#Cc1cccnc1N1CC[NH+](CCC(=O)c2ccc(F)cc2)CC1 ZINC000121866999 463207771 /nfs/dbraw/zinc/20/77/71/463207771.db2.gz KJANZIOKNUXZGG-UHFFFAOYSA-N 1 2 338.386 2.487 10 30 EEEELO Cc1[nH+]c2n(c1C)CCN(CC(=O)N(C)C1(C#N)CCCCC1)C2 ZINC000097201460 463347622 /nfs/dbraw/zinc/34/76/22/463347622.db2.gz JYDDQHROHPEXTB-UHFFFAOYSA-N 1 2 329.448 2.000 10 30 EEEELO C[C@@H](Oc1ccccc1C#N)C(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000033044729 463408857 /nfs/dbraw/zinc/40/88/57/463408857.db2.gz IWCAAORZSCBWBK-CQSZACIVSA-N 1 2 347.378 2.223 10 30 EEEELO CCn1cc[nH+]c1CNC(=O)N(CCOC)Cc1ccc(C#N)cc1 ZINC000298541064 465426850 /nfs/dbraw/zinc/42/68/50/465426850.db2.gz WJNOIHCNUGZZGJ-UHFFFAOYSA-N 1 2 341.415 2.133 10 30 EEEELO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CC[S@](=O)C(CC)(CC)C1 ZINC000185269817 463791194 /nfs/dbraw/zinc/79/11/94/463791194.db2.gz 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1182381674 /nfs/dbraw/zinc/38/16/74/1182381674.db2.gz LHXOYPUYEVJFPA-YOEHRIQHSA-N 1 2 337.851 2.095 10 30 EEEELO C=CC(C)(C)C(=O)N(C)C1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001747970966 1182403036 /nfs/dbraw/zinc/40/30/36/1182403036.db2.gz KTUYERAFKQROON-UHFFFAOYSA-N 1 2 326.400 2.058 10 30 EEEELO C=CC(C)(C)C(=O)N(C)CC1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001745748721 1182531539 /nfs/dbraw/zinc/53/15/39/1182531539.db2.gz FJVAFRSVLQWEHS-UHFFFAOYSA-N 1 2 346.475 2.252 10 30 EEEELO C=CC(C)(C)C(=O)N(C)CC1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001745748721 1182531545 /nfs/dbraw/zinc/53/15/45/1182531545.db2.gz FJVAFRSVLQWEHS-UHFFFAOYSA-N 1 2 346.475 2.252 10 30 EEEELO C=CCOCC(=O)N(CC)[C@H]1CC[N@H+](Cc2ccnc(Cl)c2)C1 ZINC001481760101 1182599164 /nfs/dbraw/zinc/59/91/64/1182599164.db2.gz BHJGHRRMINBKJV-HNNXBMFYSA-N 1 2 337.851 2.360 10 30 EEEELO C=CCOCC(=O)N(CC)[C@H]1CC[N@@H+](Cc2ccnc(Cl)c2)C1 ZINC001481760101 1182599169 /nfs/dbraw/zinc/59/91/69/1182599169.db2.gz BHJGHRRMINBKJV-HNNXBMFYSA-N 1 2 337.851 2.360 10 30 EEEELO COc1cc(C[N@H+](C)C[C@@H](C)NC(=O)CC#Cc2ccccc2)on1 ZINC001268756359 1183672252 /nfs/dbraw/zinc/67/22/52/1183672252.db2.gz JDQWHYBQCFFVLD-OAHLLOKOSA-N 1 2 341.411 2.062 10 30 EEEELO COc1cc(C[N@@H+](C)C[C@@H](C)NC(=O)CC#Cc2ccccc2)on1 ZINC001268756359 1183672258 /nfs/dbraw/zinc/67/22/58/1183672258.db2.gz JDQWHYBQCFFVLD-OAHLLOKOSA-N 1 2 341.411 2.062 10 30 EEEELO C=CCC1(C(=O)NCC2C[NH+](Cc3nc(C)cs3)C2)CCOCC1 ZINC001268900452 1183804388 /nfs/dbraw/zinc/80/43/88/1183804388.db2.gz HBGILCHJEBSQNC-UHFFFAOYSA-N 1 2 349.500 2.372 10 30 EEEELO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@H](C)Cc2cccc(F)c2)C1 ZINC001482207270 1183997008 /nfs/dbraw/zinc/99/70/08/1183997008.db2.gz PDPLWOMZKLKAKN-QAPCUYQASA-N 1 2 334.435 2.397 10 30 EEEELO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@H](C)Cc2cccc(F)c2)C1 ZINC001482207270 1183997015 /nfs/dbraw/zinc/99/70/15/1183997015.db2.gz PDPLWOMZKLKAKN-QAPCUYQASA-N 1 2 334.435 2.397 10 30 EEEELO C=C[C@H](CC)CC(=O)N[C@@H]1CC[N@H+](CC(=O)NCc2ccccc2)C1 ZINC001269159794 1184014511 /nfs/dbraw/zinc/01/45/11/1184014511.db2.gz WUHHBZJPAMEMDW-SJLPKXTDSA-N 1 2 343.471 2.096 10 30 EEEELO C=C[C@H](CC)CC(=O)N[C@@H]1CC[N@@H+](CC(=O)NCc2ccccc2)C1 ZINC001269159794 1184014516 /nfs/dbraw/zinc/01/45/16/1184014516.db2.gz WUHHBZJPAMEMDW-SJLPKXTDSA-N 1 2 343.471 2.096 10 30 EEEELO CC(C)C#CC(=O)N1CCC[C@@H]1C[NH2+]Cc1nnc(C(C)(C)C)o1 ZINC001270044207 1184810393 /nfs/dbraw/zinc/81/03/93/1184810393.db2.gz ZBUBKIQGUADGDS-CQSZACIVSA-N 1 2 332.448 2.107 10 30 EEEELO C=C(C)[C@@H](CC(=O)N[C@]1(C)CC[N@H+](Cc2ncc(C)o2)C1)OCC ZINC001270589495 1185189857 /nfs/dbraw/zinc/18/98/57/1185189857.db2.gz HDNINFZJCRGQBP-CRAIPNDOSA-N 1 2 335.448 2.435 10 30 EEEELO C=C(C)[C@@H](CC(=O)N[C@]1(C)CC[N@@H+](Cc2ncc(C)o2)C1)OCC ZINC001270589495 1185189861 /nfs/dbraw/zinc/18/98/61/1185189861.db2.gz HDNINFZJCRGQBP-CRAIPNDOSA-N 1 2 335.448 2.435 10 30 EEEELO C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@H](C)CCOc2ccccc2)C1 ZINC001270701070 1185327469 /nfs/dbraw/zinc/32/74/69/1185327469.db2.gz OEDOPSVCHWJZIS-SJLPKXTDSA-N 1 2 332.444 2.095 10 30 EEEELO C=CC[N@H+]1CCO[C@H](CNC(=O)[C@H](C)CCOc2ccccc2)C1 ZINC001270701070 1185327476 /nfs/dbraw/zinc/32/74/76/1185327476.db2.gz OEDOPSVCHWJZIS-SJLPKXTDSA-N 1 2 332.444 2.095 10 30 EEEELO C=CC(C)(C)CC(=O)NC[C@@]1(C)CCC[N@@H+](Cc2nnc(C)[nH]2)C1 ZINC001270965630 1185776661 /nfs/dbraw/zinc/77/66/61/1185776661.db2.gz LXHHYWIFANQVAV-GOSISDBHSA-N 1 2 333.480 2.434 10 30 EEEELO C=CC(C)(C)CC(=O)NC[C@@]1(C)CCC[N@H+](Cc2nnc(C)[nH]2)C1 ZINC001270965630 1185776664 /nfs/dbraw/zinc/77/66/64/1185776664.db2.gz LXHHYWIFANQVAV-GOSISDBHSA-N 1 2 333.480 2.434 10 30 EEEELO Cc1nc([C@@H](C)[NH+]2CCC3(CN(C(=O)C#CC(C)C)C3)CC2)no1 ZINC001272805091 1193507973 /nfs/dbraw/zinc/50/79/73/1193507973.db2.gz LWDKNZXMPSUZQE-CQSZACIVSA-N 1 2 330.432 2.023 10 30 EEEELO C#CCCCCCC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1cnon1)C2 ZINC001671038399 1193550783 /nfs/dbraw/zinc/55/07/83/1193550783.db2.gz CALLGPPGCHRIAG-LJQANCHMSA-N 1 2 344.459 2.468 10 30 EEEELO C#CCCCCCC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1cnon1)C2 ZINC001671038399 1193550787 /nfs/dbraw/zinc/55/07/87/1193550787.db2.gz CALLGPPGCHRIAG-LJQANCHMSA-N 1 2 344.459 2.468 10 30 EEEELO C#CCCCCCC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1cnon1)C2 ZINC001671038398 1193550972 /nfs/dbraw/zinc/55/09/72/1193550972.db2.gz CALLGPPGCHRIAG-IBGZPJMESA-N 1 2 344.459 2.468 10 30 EEEELO C#CCCCCCC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1cnon1)C2 ZINC001671038398 1193550974 /nfs/dbraw/zinc/55/09/74/1193550974.db2.gz CALLGPPGCHRIAG-IBGZPJMESA-N 1 2 344.459 2.468 10 30 EEEELO C#CCC[N@H+]1CCOC[C@H]1CNC(=O)C[C@@H]1CCCc2ccccc21 ZINC001272901258 1193597720 /nfs/dbraw/zinc/59/77/20/1193597720.db2.gz GBQJUPNXCJXNNB-RBUKOAKNSA-N 1 2 340.467 2.337 10 30 EEEELO C#CCC[N@@H+]1CCOC[C@H]1CNC(=O)C[C@@H]1CCCc2ccccc21 ZINC001272901258 1193597721 /nfs/dbraw/zinc/59/77/21/1193597721.db2.gz GBQJUPNXCJXNNB-RBUKOAKNSA-N 1 2 340.467 2.337 10 30 EEEELO C#CCC[N@H+]1CCOC[C@H]1CNC(=O)CC1C2CC3CC(C2)CC1C3 ZINC001272910133 1193600660 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10 30 EEEELO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)C[C@@H](C)NC(=O)C1CCCC1 ZINC001483427442 1190474712 /nfs/dbraw/zinc/47/47/12/1190474712.db2.gz MTCOPPAMSAWACA-KGLIPLIRSA-N 1 2 343.899 2.260 10 30 EEEELO COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)C2(C3CC3)CC2)cc1C#N ZINC001483659804 1190722396 /nfs/dbraw/zinc/72/23/96/1190722396.db2.gz OOFRZMSPNSMQED-KRWDZBQOSA-N 1 2 339.439 2.448 10 30 EEEELO COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)C2(C3CC3)CC2)cc1C#N ZINC001483659804 1190722398 /nfs/dbraw/zinc/72/23/98/1190722398.db2.gz OOFRZMSPNSMQED-KRWDZBQOSA-N 1 2 339.439 2.448 10 30 EEEELO C=CCCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCO[C@H]1CC1(F)F ZINC001483822597 1191073813 /nfs/dbraw/zinc/07/38/13/1191073813.db2.gz HFWDDPCMPOHVSL-ZNMIVQPWSA-N 1 2 328.403 2.442 10 30 EEEELO C=CCCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCO[C@H]1CC1(F)F ZINC001483822597 1191073814 /nfs/dbraw/zinc/07/38/14/1191073814.db2.gz HFWDDPCMPOHVSL-ZNMIVQPWSA-N 1 2 328.403 2.442 10 30 EEEELO CC#CCCCC(=O)N[C@]1(C)CC[N@H+](Cc2noc3c2COCC3)C1 ZINC001484055700 1191183725 /nfs/dbraw/zinc/18/37/25/1191183725.db2.gz CMIRYPDEDLWHDU-LJQANCHMSA-N 1 2 345.443 2.022 10 30 EEEELO CC#CCCCC(=O)N[C@]1(C)CC[N@@H+](Cc2noc3c2COCC3)C1 ZINC001484055700 1191183726 /nfs/dbraw/zinc/18/37/26/1191183726.db2.gz CMIRYPDEDLWHDU-LJQANCHMSA-N 1 2 345.443 2.022 10 30 EEEELO C=C[C@@](C)(CC)C(=O)NC[C@]1(O)CC[N@H+](Cc2ncc(C(C)C)o2)C1 ZINC001484239331 1191283263 /nfs/dbraw/zinc/28/32/63/1191283263.db2.gz WRGGRSBPKCBJOK-RBUKOAKNSA-N 1 2 349.475 2.453 10 30 EEEELO C=C[C@@](C)(CC)C(=O)NC[C@]1(O)CC[N@@H+](Cc2ncc(C(C)C)o2)C1 ZINC001484239331 1191283264 /nfs/dbraw/zinc/28/32/64/1191283264.db2.gz WRGGRSBPKCBJOK-RBUKOAKNSA-N 1 2 349.475 2.453 10 30 EEEELO C=CCCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1nc(C(F)F)no1)C2 ZINC001484318827 1191302595 /nfs/dbraw/zinc/30/25/95/1191302595.db2.gz UWKQWDGZZUSXQG-SRVKXCTJSA-N 1 2 340.374 2.443 10 30 EEEELO C=CCCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1nc(C(F)F)no1)C2 ZINC001484318827 1191302597 /nfs/dbraw/zinc/30/25/97/1191302597.db2.gz UWKQWDGZZUSXQG-SRVKXCTJSA-N 1 2 340.374 2.443 10 30 EEEELO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H](C)Cc1ccco1)O2 ZINC001484787833 1191525815 /nfs/dbraw/zinc/52/58/15/1191525815.db2.gz MKACEYOZMXUCBK-WBVHZDCISA-N 1 2 332.444 2.384 10 30 EEEELO C=C(C)C[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001484824027 1191542143 /nfs/dbraw/zinc/54/21/43/1191542143.db2.gz NMYNVBZGIMSWSH-LJQANCHMSA-N 1 2 338.455 2.311 10 30 EEEELO C=C(C)C[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001484824027 1191542145 /nfs/dbraw/zinc/54/21/45/1191542145.db2.gz NMYNVBZGIMSWSH-LJQANCHMSA-N 1 2 338.455 2.311 10 30 EEEELO C=C(C)C[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)Cn1ccnc1C ZINC001484824027 1191542149 /nfs/dbraw/zinc/54/21/49/1191542149.db2.gz NMYNVBZGIMSWSH-LJQANCHMSA-N 1 2 338.455 2.311 10 30 EEEELO CC#CCCCC(=O)NCc1ccc2c(c1)C[N@H+]([C@@H](CC)C(N)=O)C2 ZINC001484874739 1191558371 /nfs/dbraw/zinc/55/83/71/1191558371.db2.gz XCCVFSJOIHALJV-SFHVURJKSA-N 1 2 341.455 2.076 10 30 EEEELO CC#CCCCC(=O)NCc1ccc2c(c1)C[N@@H+]([C@@H](CC)C(N)=O)C2 ZINC001484874739 1191558373 /nfs/dbraw/zinc/55/83/73/1191558373.db2.gz XCCVFSJOIHALJV-SFHVURJKSA-N 1 2 341.455 2.076 10 30 EEEELO C#Cc1cccc(NC(=O)C[N@@H+](C)[C@H](C)CNC(=O)CCC(C)C)c1 ZINC001485273152 1191718261 /nfs/dbraw/zinc/71/82/61/1191718261.db2.gz GCFLDWCVVOHYPY-MRXNPFEDSA-N 1 2 343.471 2.479 10 30 EEEELO C#Cc1cccc(NC(=O)C[N@H+](C)[C@H](C)CNC(=O)CCC(C)C)c1 ZINC001485273152 1191718262 /nfs/dbraw/zinc/71/82/62/1191718262.db2.gz GCFLDWCVVOHYPY-MRXNPFEDSA-N 1 2 343.471 2.479 10 30 EEEELO C#Cc1cccc(NC(=O)C[N@@H+](C)[C@H](C)CNC(=O)[C@H]2CC2(C)C)c1 ZINC001485296926 1191724328 /nfs/dbraw/zinc/72/43/28/1191724328.db2.gz SQEWRDQGDXQOTB-RHSMWYFYSA-N 1 2 341.455 2.089 10 30 EEEELO C#Cc1cccc(NC(=O)C[N@H+](C)[C@H](C)CNC(=O)[C@H]2CC2(C)C)c1 ZINC001485296926 1191724329 /nfs/dbraw/zinc/72/43/29/1191724329.db2.gz SQEWRDQGDXQOTB-RHSMWYFYSA-N 1 2 341.455 2.089 10 30 EEEELO C=C(C)C[NH+]1CC(CCO)(NC(=O)c2cc(C)n(CC3CC3)c2C)C1 ZINC001485422559 1191781958 /nfs/dbraw/zinc/78/19/58/1191781958.db2.gz RJDAAYIIRSYRPR-UHFFFAOYSA-N 1 2 345.487 2.258 10 30 EEEELO C=CCC(C)(C)C(=O)N[C@@H]1CCC[N@H+](CC(=O)NCC2CCC2)[C@@H]1C ZINC001486178772 1193716649 /nfs/dbraw/zinc/71/66/49/1193716649.db2.gz AWUNKHKSKVAHQY-NVXWUHKLSA-N 1 2 349.519 2.474 10 30 EEEELO C=CCC(C)(C)C(=O)N[C@@H]1CCC[N@@H+](CC(=O)NCC2CCC2)[C@@H]1C ZINC001486178772 1193716650 /nfs/dbraw/zinc/71/66/50/1193716650.db2.gz AWUNKHKSKVAHQY-NVXWUHKLSA-N 1 2 349.519 2.474 10 30 EEEELO CC#CCCCC(=O)N[C@H](C[NH2+]Cc1noc(CC)n1)C(C)(C)C ZINC001486410032 1193918346 /nfs/dbraw/zinc/91/83/46/1193918346.db2.gz NAYMLICKOBSYKB-CQSZACIVSA-N 1 2 334.464 2.446 10 30 EEEELO C=CC(C)(C)CC(=O)NC[C@H](C)N(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001486880852 1197048474 /nfs/dbraw/zinc/04/84/74/1197048474.db2.gz IBSGUTCOOFMBIE-LSDHHAIUSA-N 1 2 346.475 2.011 10 30 EEEELO C#CCC1(NC(=O)NCc2cc[nH+]c(N3CCSCC3)c2)CCC1 ZINC000923632697 1197833867 /nfs/dbraw/zinc/83/38/67/1197833867.db2.gz WIZCRJFMKJECTO-UHFFFAOYSA-N 1 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10 30 EEEELO CCc1cccc(C)c1NC(=O)C[N@H+](C)[C@@H](C)CNC(=O)[C@@H](C)C#N ZINC001485285394 1191717103 /nfs/dbraw/zinc/71/71/03/1191717103.db2.gz CRAQSHXANNFEOU-GJZGRUSLSA-N 1 2 344.459 2.092 10 30 EEEELO CCc1cccc(C)c1NC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H](C)C#N ZINC001485285394 1191717105 /nfs/dbraw/zinc/71/71/05/1191717105.db2.gz CRAQSHXANNFEOU-GJZGRUSLSA-N 1 2 344.459 2.092 10 30 EEEELO C[C@H](c1nc(-c2ccco2)no1)[N@@H+](C)[C@@H](C)CNC(=O)C#CC1CC1 ZINC001485302765 1191734916 /nfs/dbraw/zinc/73/49/16/1191734916.db2.gz FNWHIIYVQSPKCV-QWHCGFSZSA-N 1 2 342.399 2.241 10 30 EEEELO C[C@H](c1nc(-c2ccco2)no1)[N@H+](C)[C@@H](C)CNC(=O)C#CC1CC1 ZINC001485302765 1191734917 /nfs/dbraw/zinc/73/49/17/1191734917.db2.gz FNWHIIYVQSPKCV-QWHCGFSZSA-N 1 2 342.399 2.241 10 30 EEEELO C#CCOCCC(=O)NCC1=CC[N@H+](Cc2cccc(F)c2F)CC1 ZINC001486505558 1194014921 /nfs/dbraw/zinc/01/49/21/1194014921.db2.gz DKJQOBVDPXCDNC-UHFFFAOYSA-N 1 2 348.393 2.253 10 30 EEEELO C#CCOCCC(=O)NCC1=CC[N@@H+](Cc2cccc(F)c2F)CC1 ZINC001486505558 1194014927 /nfs/dbraw/zinc/01/49/27/1194014927.db2.gz DKJQOBVDPXCDNC-UHFFFAOYSA-N 1 2 348.393 2.253 10 30 EEEELO C=C(C)C[C@@H](C)C(=O)NC1CCC(N(C)C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001486742887 1194214804 /nfs/dbraw/zinc/21/48/04/1194214804.db2.gz OBOVIQUSIODELZ-QQFBHYJXSA-N 1 2 346.475 2.440 10 30 EEEELO CC(C)C#CC(=O)N1CCCC[C@@H]1C[NH2+]Cc1nc(C(F)F)no1 ZINC001272960653 1194269391 /nfs/dbraw/zinc/26/93/91/1194269391.db2.gz DXKRFAGRKYFKCV-GFCCVEGCSA-N 1 2 340.374 2.137 10 30 EEEELO C=C(C)CCC(=O)NC[C@@H](C)N(C)C(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001486887295 1197051681 /nfs/dbraw/zinc/05/16/81/1197051681.db2.gz BJMCQLYMSXYGSF-ZIAGYGMSSA-N 1 2 332.448 2.149 10 30 EEEELO C=C(C)CCC(=O)NC[C@H](C)N(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001486889941 1197054007 /nfs/dbraw/zinc/05/40/07/1197054007.db2.gz NOJKIMGDBTYKSP-ZDUSSCGKSA-N 1 2 328.416 2.496 10 30 EEEELO C=C[C@H](CC)CC(=O)N1CCCCC[C@@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC001487137126 1197241395 /nfs/dbraw/zinc/24/13/95/1197241395.db2.gz 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C=CCOCC(=O)NC[C@@H]1CCC[N@H+]1Cc1csc(C2CC2)n1 ZINC001493083463 1198854607 /nfs/dbraw/zinc/85/46/07/1198854607.db2.gz JFKBCIBDPLIDPW-HNNXBMFYSA-N 1 2 335.473 2.304 10 30 EEEELO COCC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)c1ccco1 ZINC001490806775 1201691420 /nfs/dbraw/zinc/69/14/20/1201691420.db2.gz VHSMYNYZTOQVPL-ZACQAIPSSA-N 1 2 330.428 2.098 10 30 EEEELO COCC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)c1ccco1 ZINC001490806775 1201691422 /nfs/dbraw/zinc/69/14/22/1201691422.db2.gz VHSMYNYZTOQVPL-ZACQAIPSSA-N 1 2 330.428 2.098 10 30 EEEELO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H](CC)Cc1ccc(Cl)cc1 ZINC000884144527 1202241584 /nfs/dbraw/zinc/24/15/84/1202241584.db2.gz MOHPBVKLXSVSEC-CABCVRRESA-N 1 2 338.835 2.224 10 30 EEEELO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H](CCC)c1ccc(F)cc1F ZINC000884167868 1202247617 /nfs/dbraw/zinc/24/76/17/1202247617.db2.gz QQMGUSFUDBJIAM-GJZGRUSLSA-N 1 2 340.370 2.369 10 30 EEEELO C#CCC(C)(C)C(=O)NC[C@H]1C[N@H+](Cc2cccc(C)c2)CCO1 ZINC000826556727 1204253979 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EEEELO C#CCCCC(=O)N[C@@H](C)C[N@H+](C)CC(=O)Nc1cccc(C)c1C ZINC001275545587 1205403778 /nfs/dbraw/zinc/40/37/78/1205403778.db2.gz YUFRIDLUDAGTKE-INIZCTEOSA-N 1 2 343.471 2.482 10 30 EEEELO C#CCCCC(=O)N[C@@H](C)C[N@@H+](C)CC(=O)Nc1cccc(C)c1C ZINC001275545587 1205403779 /nfs/dbraw/zinc/40/37/79/1205403779.db2.gz YUFRIDLUDAGTKE-INIZCTEOSA-N 1 2 343.471 2.482 10 30 EEEELO C#Cc1ccc(C(=O)N[C@H](C)C[N@H+](C)Cc2ncc(C)s2)cn1 ZINC001275697075 1205488471 /nfs/dbraw/zinc/48/84/71/1205488471.db2.gz DHXMBYLQPGCIQF-GFCCVEGCSA-N 1 2 328.441 2.078 10 30 EEEELO C#Cc1ccc(C(=O)N[C@H](C)C[N@@H+](C)Cc2ncc(C)s2)cn1 ZINC001275697075 1205488472 /nfs/dbraw/zinc/48/84/72/1205488472.db2.gz DHXMBYLQPGCIQF-GFCCVEGCSA-N 1 2 328.441 2.078 10 30 EEEELO Cc1cc(C)cc(NC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)C#CC(C)C)c1 ZINC001275818339 1205549002 /nfs/dbraw/zinc/54/90/02/1205549002.db2.gz IRNUWUPUYDTGMT-KRWDZBQOSA-N 1 2 343.471 2.338 10 30 EEEELO Cc1cc(C)cc(NC(=O)C[N@H+](C)[C@@H](C)CNC(=O)C#CC(C)C)c1 ZINC001275818339 1205549003 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10 30 EEEELO C#Cc1ccc(C(=O)NCCC[N@H+](C)CC(=C)Br)cn1 ZINC001566509856 1125678284 /nfs/dbraw/zinc/67/82/84/1125678284.db2.gz FFRMFQLDHHCZJM-UHFFFAOYSA-N 1 2 336.233 2.023 10 30 EEEELO C[C@H](OCC1CC1)C(=O)NCC1C[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC001438117328 1090649182 /nfs/dbraw/zinc/64/91/82/1090649182.db2.gz XPUIIISRHCCONS-ZDUSSCGKSA-N 1 2 345.418 2.060 10 30 EEEELO C[C@H](C[N@H+](C)Cc1cc(F)ccc1C#N)NC(=O)c1cncc(F)c1 ZINC001445681408 1091477053 /nfs/dbraw/zinc/47/70/53/1091477053.db2.gz ACUZFEFGHVVMTL-GFCCVEGCSA-N 1 2 344.365 2.482 10 30 EEEELO C[C@H](C[N@@H+](C)Cc1cc(F)ccc1C#N)NC(=O)c1cncc(F)c1 ZINC001445681408 1091477060 /nfs/dbraw/zinc/47/70/60/1091477060.db2.gz ACUZFEFGHVVMTL-GFCCVEGCSA-N 1 2 344.365 2.482 10 30 EEEELO CCC[C@H](OC)C(=O)N[C@@H](C)C[N@H+](C)Cc1cc(F)ccc1C#N ZINC001439354970 1092070549 /nfs/dbraw/zinc/07/05/49/1092070549.db2.gz PIDVFYDGBSMTRE-GUYCJALGSA-N 1 2 335.423 2.449 10 30 EEEELO CCC[C@H](OC)C(=O)N[C@@H](C)C[N@@H+](C)Cc1cc(F)ccc1C#N ZINC001439354970 1092070556 /nfs/dbraw/zinc/07/05/56/1092070556.db2.gz PIDVFYDGBSMTRE-GUYCJALGSA-N 1 2 335.423 2.449 10 30 EEEELO CN(C[C@H]1CC[N@@H+]1Cc1ccccc1C#N)C(=O)CCn1cccc1 ZINC001440247983 1093339828 /nfs/dbraw/zinc/33/98/28/1093339828.db2.gz IDGGSBGXVHXXEX-LJQANCHMSA-N 1 2 336.439 2.483 10 30 EEEELO CN(C[C@H]1CC[N@H+]1Cc1ccccc1C#N)C(=O)CCn1cccc1 ZINC001440247983 1093339834 /nfs/dbraw/zinc/33/98/34/1093339834.db2.gz IDGGSBGXVHXXEX-LJQANCHMSA-N 1 2 336.439 2.483 10 30 EEEELO C=C(Cl)C(C)(C)C(=O)N(C)CCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001448861574 1093911691 /nfs/dbraw/zinc/91/16/91/1093911691.db2.gz IUEQVTQZYATRLU-LBPRGKRZSA-N 1 2 340.855 2.188 10 30 EEEELO C=C(Br)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)C1CCCCC1 ZINC001449193492 1094156694 /nfs/dbraw/zinc/15/66/94/1094156694.db2.gz QFBJWIHUMAPLGD-CQSZACIVSA-N 1 2 347.297 2.226 10 30 EEEELO C=C(Br)C[N@H+](C)C[C@@H](O)CN(C)C(=O)C1CCCCC1 ZINC001449193492 1094156698 /nfs/dbraw/zinc/15/66/98/1094156698.db2.gz QFBJWIHUMAPLGD-CQSZACIVSA-N 1 2 347.297 2.226 10 30 EEEELO C=C(Cl)C[N@@H+](C)CCN(C(=O)[C@H](OC)c1cnn(C)c1)C(C)C ZINC001449253469 1094201864 /nfs/dbraw/zinc/20/18/64/1094201864.db2.gz IECFXROEQWVHDI-OAHLLOKOSA-N 1 2 342.871 2.029 10 30 EEEELO C=C(Cl)C[N@H+](C)CCN(C(=O)[C@H](OC)c1cnn(C)c1)C(C)C ZINC001449253469 1094201865 /nfs/dbraw/zinc/20/18/65/1094201865.db2.gz IECFXROEQWVHDI-OAHLLOKOSA-N 1 2 342.871 2.029 10 30 EEEELO CCO[C@@H](C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2C#N)C1)C1CC1 ZINC001441025757 1094310911 /nfs/dbraw/zinc/31/09/11/1094310911.db2.gz QNKDTEQCYCHGDB-RTBURBONSA-N 1 2 341.455 2.454 10 30 EEEELO CCO[C@@H](C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2C#N)C1)C1CC1 ZINC001441025757 1094310921 /nfs/dbraw/zinc/31/09/21/1094310921.db2.gz QNKDTEQCYCHGDB-RTBURBONSA-N 1 2 341.455 2.454 10 30 EEEELO C[C@@H](C#N)C(=O)NC[C@H]1CCC[N@H+](Cc2nc(C3CCCC3)no2)C1 ZINC001441575268 1095358127 /nfs/dbraw/zinc/35/81/27/1095358127.db2.gz XRHLYUGHASLADN-UONOGXRCSA-N 1 2 345.447 2.215 10 30 EEEELO C[C@@H](C#N)C(=O)NC[C@H]1CCC[N@@H+](Cc2nc(C3CCCC3)no2)C1 ZINC001441575268 1095358138 /nfs/dbraw/zinc/35/81/38/1095358138.db2.gz XRHLYUGHASLADN-UONOGXRCSA-N 1 2 345.447 2.215 10 30 EEEELO C[C@H](CC(=O)NCC[N@H+](C)Cc1ccc(C#N)cc1F)[C@H]1CCCO1 ZINC001442585711 1096951979 /nfs/dbraw/zinc/95/19/79/1096951979.db2.gz VHGQFRHEUHWTMO-RDTXWAMCSA-N 1 2 347.434 2.451 10 30 EEEELO C[C@H](CC(=O)NCC[N@@H+](C)Cc1ccc(C#N)cc1F)[C@H]1CCCO1 ZINC001442585711 1096951982 /nfs/dbraw/zinc/95/19/82/1096951982.db2.gz VHGQFRHEUHWTMO-RDTXWAMCSA-N 1 2 347.434 2.451 10 30 EEEELO C=C(Br)C[N@H+]1CCC[C@H]1CNC(=O)[C@H](OC)C(C)C ZINC001442795127 1097175550 /nfs/dbraw/zinc/17/55/50/1097175550.db2.gz AQZLKDWDFAVTDG-QWHCGFSZSA-N 1 2 333.270 2.147 10 30 EEEELO C=C(Br)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H](OC)C(C)C ZINC001442795127 1097175555 /nfs/dbraw/zinc/17/55/55/1097175555.db2.gz AQZLKDWDFAVTDG-QWHCGFSZSA-N 1 2 333.270 2.147 10 30 EEEELO CC(C)OCCC(=O)NCC1C[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC001443575325 1098070542 /nfs/dbraw/zinc/07/05/42/1098070542.db2.gz ZJBWSMDKNCTAEM-UHFFFAOYSA-N 1 2 333.407 2.060 10 30 EEEELO C=C[C@@](C)(O)CC(=O)N[C@H]1CC[N@H+](CC(=C)Br)[C@@H]1CC ZINC001479633089 1098660624 /nfs/dbraw/zinc/66/06/24/1098660624.db2.gz APPWNAATFDUURD-GZBFAFLISA-N 1 2 345.281 2.191 10 30 EEEELO C=C[C@@](C)(O)CC(=O)N[C@H]1CC[N@@H+](CC(=C)Br)[C@@H]1CC ZINC001479633089 1098660626 /nfs/dbraw/zinc/66/06/26/1098660626.db2.gz APPWNAATFDUURD-GZBFAFLISA-N 1 2 345.281 2.191 10 30 EEEELO C=CCOCC(=O)N1CCc2sc(C[NH2+]C[C@@H](F)CC)nc2C1 ZINC001479741343 1098861736 /nfs/dbraw/zinc/86/17/36/1098861736.db2.gz QRFZBOLWHSUJTG-LBPRGKRZSA-N 1 2 341.452 2.068 10 30 EEEELO C=CCC1(C(=O)N[C@@H]2CCC[N@@H+](Cc3cc(C)no3)C2)CCOCC1 ZINC001479913608 1099315796 /nfs/dbraw/zinc/31/57/96/1099315796.db2.gz LUQKKFVDOHOCNE-MRXNPFEDSA-N 1 2 347.459 2.437 10 30 EEEELO C=CCC1(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(C)no3)C2)CCOCC1 ZINC001479913608 1099315808 /nfs/dbraw/zinc/31/58/08/1099315808.db2.gz LUQKKFVDOHOCNE-MRXNPFEDSA-N 1 2 347.459 2.437 10 30 EEEELO C=CCCC(=O)NCC[NH+]1CCN(Cc2nc3ccccc3o2)CC1 ZINC001479926430 1099340809 /nfs/dbraw/zinc/34/08/09/1099340809.db2.gz CULHKODANSXBFO-UHFFFAOYSA-N 1 2 342.443 2.028 10 30 EEEELO N#CCSCC(=O)N[C@H]1CC[N@H+](Cc2ccc(Cl)s2)C1 ZINC001479944962 1099370162 /nfs/dbraw/zinc/37/01/62/1099370162.db2.gz DJOHNQXWGYTKLB-JTQLQIEISA-N 1 2 329.878 2.349 10 30 EEEELO N#CCSCC(=O)N[C@H]1CC[N@@H+](Cc2ccc(Cl)s2)C1 ZINC001479944962 1099370151 /nfs/dbraw/zinc/37/01/51/1099370151.db2.gz DJOHNQXWGYTKLB-JTQLQIEISA-N 1 2 329.878 2.349 10 30 EEEELO CCc1nnc([C@@H](C)[NH+]2CCC3(C[C@H]3NC(=O)C#CC(C)C)CC2)[nH]1 ZINC001479980708 1099435114 /nfs/dbraw/zinc/43/51/14/1099435114.db2.gz MSPRHBTVSKSNQD-HUUCEWRRSA-N 1 2 343.475 2.058 10 30 EEEELO C[C@H]1C[C@@H](C(=O)N(C)CC[N@H+](C)Cc2ccc(C#N)cc2F)CO1 ZINC001445004668 1100143935 /nfs/dbraw/zinc/14/39/35/1100143935.db2.gz HYCUQUOJBFGVQZ-XJKSGUPXSA-N 1 2 333.407 2.013 10 30 EEEELO C[C@H]1C[C@@H](C(=O)N(C)CC[N@@H+](C)Cc2ccc(C#N)cc2F)CO1 ZINC001445004668 1100143940 /nfs/dbraw/zinc/14/39/40/1100143940.db2.gz HYCUQUOJBFGVQZ-XJKSGUPXSA-N 1 2 333.407 2.013 10 30 EEEELO C#CCCCCC(=O)N[C@H](C)[C@H]1CCC[N@H+](Cc2nnc(C)[nH]2)C1 ZINC001480377214 1100164492 /nfs/dbraw/zinc/16/44/92/1100164492.db2.gz KOEFTPVRQRJUOW-ZBFHGGJFSA-N 1 2 331.464 2.023 10 30 EEEELO C#CCCCCC(=O)N[C@H](C)[C@H]1CCC[N@@H+](Cc2nnc(C)[nH]2)C1 ZINC001480377214 1100164498 /nfs/dbraw/zinc/16/44/98/1100164498.db2.gz KOEFTPVRQRJUOW-ZBFHGGJFSA-N 1 2 331.464 2.023 10 30 EEEELO CC(C)C#CC(=O)N[C@@](C)(C[NH2+]Cc1noc(C2CCC2)n1)C1CC1 ZINC001495246473 1100942414 /nfs/dbraw/zinc/94/24/14/1100942414.db2.gz GHVUQHVSNVIPNE-IBGZPJMESA-N 1 2 344.459 2.371 10 30 EEEELO C#CCCCC(=O)N(C)[C@@H]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001495368520 1101083863 /nfs/dbraw/zinc/08/38/63/1101083863.db2.gz DASWHALRUHMSCL-IAGOWNOFSA-N 1 2 344.459 2.087 10 30 EEEELO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)Cc2cccc3ncccc23)C1 ZINC001495855374 1101678119 /nfs/dbraw/zinc/67/81/19/1101678119.db2.gz MLAFZRVAIZEMPR-KRWDZBQOSA-N 1 2 339.439 2.170 10 30 EEEELO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)Cc2cccc3ncccc23)C1 ZINC001495855374 1101678125 /nfs/dbraw/zinc/67/81/25/1101678125.db2.gz MLAFZRVAIZEMPR-KRWDZBQOSA-N 1 2 339.439 2.170 10 30 EEEELO C=CCCCC(=O)N1CC[C@@H](N(CCC)C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001497783028 1103107031 /nfs/dbraw/zinc/10/70/31/1103107031.db2.gz WTZYYGFTMMBXOK-OAHLLOKOSA-N 1 2 332.448 2.148 10 30 EEEELO C=C1CC(C)(C(=O)N(C)CC2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)C1 ZINC001497964754 1103426927 /nfs/dbraw/zinc/42/69/27/1103426927.db2.gz BCMZERIDZZGSDH-UHFFFAOYSA-N 1 2 344.459 2.006 10 30 EEEELO C=CCN1CC[NH+](CCN(C)C(=O)C[C@@H]2CCC(F)(F)C2)CC1 ZINC001494093216 1103510220 /nfs/dbraw/zinc/51/02/20/1103510220.db2.gz YFJNOIHVYYOCSE-HNNXBMFYSA-N 1 2 329.435 2.074 10 30 EEEELO CC(C)c1ccccc1C[NH+]1CC(CCO)(NC(=O)[C@@H](C)C#N)C1 ZINC001448156500 1104119872 /nfs/dbraw/zinc/11/98/72/1104119872.db2.gz DSZREUZKPCQTPH-HNNXBMFYSA-N 1 2 329.444 2.023 10 30 EEEELO CC(C)OCC(=O)NCC1C[NH+](CC#Cc2cccc(Cl)c2)C1 ZINC001494535451 1104126780 /nfs/dbraw/zinc/12/67/80/1104126780.db2.gz IKRXPVJUFMIOOD-UHFFFAOYSA-N 1 2 334.847 2.165 10 30 EEEELO CCc1noc(C)c1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C#CC(C)(C)C ZINC001494652358 1104237078 /nfs/dbraw/zinc/23/70/78/1104237078.db2.gz OLXPGODDSYGAGW-GJZGRUSLSA-N 1 2 329.444 2.380 10 30 EEEELO CCc1noc(C)c1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C#CC(C)(C)C ZINC001494652358 1104237084 /nfs/dbraw/zinc/23/70/84/1104237084.db2.gz OLXPGODDSYGAGW-GJZGRUSLSA-N 1 2 329.444 2.380 10 30 EEEELO C=CCCO[C@@H](C)C(=O)N(C)[C@H]1CC[N@H+](Cc2csc(C)n2)C1 ZINC001494810862 1104402855 /nfs/dbraw/zinc/40/28/55/1104402855.db2.gz UMGATNWNXASGBP-BBRMVZONSA-N 1 2 337.489 2.465 10 30 EEEELO C=CCCO[C@@H](C)C(=O)N(C)[C@H]1CC[N@@H+](Cc2csc(C)n2)C1 ZINC001494810862 1104402859 /nfs/dbraw/zinc/40/28/59/1104402859.db2.gz UMGATNWNXASGBP-BBRMVZONSA-N 1 2 337.489 2.465 10 30 EEEELO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)Cc1nc(C)sc1C ZINC001498385067 1107429456 /nfs/dbraw/zinc/42/94/56/1107429456.db2.gz FLPJZERZGPWIJW-PEYYIBSZSA-N 1 2 337.489 2.288 10 30 EEEELO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)Cc1nc(C)sc1C ZINC001498385067 1107429457 /nfs/dbraw/zinc/42/94/57/1107429457.db2.gz FLPJZERZGPWIJW-PEYYIBSZSA-N 1 2 337.489 2.288 10 30 EEEELO C=CC[C@@H](C(=O)N[C@H](C)C[N@H+](C)Cc1cnnn1C)c1ccccc1 ZINC001498459389 1107570509 /nfs/dbraw/zinc/57/05/09/1107570509.db2.gz VRTSDIIBXXVNRV-CRAIPNDOSA-N 1 2 341.459 2.112 10 30 EEEELO C=CC[C@@H](C(=O)N[C@H](C)C[N@@H+](C)Cc1cnnn1C)c1ccccc1 ZINC001498459389 1107570517 /nfs/dbraw/zinc/57/05/17/1107570517.db2.gz VRTSDIIBXXVNRV-CRAIPNDOSA-N 1 2 341.459 2.112 10 30 EEEELO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H](C)Cc1c(C)nn(C)c1C ZINC001498459726 1107572750 /nfs/dbraw/zinc/57/27/50/1107572750.db2.gz FNTQPCYEGILEAO-WCQYABFASA-N 1 2 340.899 2.405 10 30 EEEELO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)[C@@H](C)Cc1c(C)nn(C)c1C ZINC001498459726 1107572761 /nfs/dbraw/zinc/57/27/61/1107572761.db2.gz FNTQPCYEGILEAO-WCQYABFASA-N 1 2 340.899 2.405 10 30 EEEELO C=CC(C)(C)CC(=O)NC[C@@H]1CC[N@@H+]([C@@H](C)c2nnnn2C2CC2)C1 ZINC001493207229 1107682226 /nfs/dbraw/zinc/68/22/26/1107682226.db2.gz OXJRREBOQIAGMR-KBPBESRZSA-N 1 2 346.479 2.109 10 30 EEEELO C=CC(C)(C)CC(=O)NC[C@@H]1CC[N@H+]([C@@H](C)c2nnnn2C2CC2)C1 ZINC001493207229 1107682232 /nfs/dbraw/zinc/68/22/32/1107682232.db2.gz OXJRREBOQIAGMR-KBPBESRZSA-N 1 2 346.479 2.109 10 30 EEEELO N#Cc1ccc(F)cc1C[N@H+](CCNC(=O)c1cccnc1)C1CC1 ZINC001493338473 1107955048 /nfs/dbraw/zinc/95/50/48/1107955048.db2.gz KCYXWVKXZXRFJL-UHFFFAOYSA-N 1 2 338.386 2.487 10 30 EEEELO N#Cc1ccc(F)cc1C[N@@H+](CCNC(=O)c1cccnc1)C1CC1 ZINC001493338473 1107955054 /nfs/dbraw/zinc/95/50/54/1107955054.db2.gz KCYXWVKXZXRFJL-UHFFFAOYSA-N 1 2 338.386 2.487 10 30 EEEELO CC#CCCCC(=O)NC[C@H]1CC[N@@H+]1Cc1ccnc(N(C)C)c1 ZINC001499040875 1108491657 /nfs/dbraw/zinc/49/16/57/1108491657.db2.gz DZZVUJZZNGACCZ-QGZVFWFLSA-N 1 2 328.460 2.032 10 30 EEEELO CC#CCCCC(=O)NC[C@H]1CC[N@H+]1Cc1ccnc(N(C)C)c1 ZINC001499040875 1108491661 /nfs/dbraw/zinc/49/16/61/1108491661.db2.gz DZZVUJZZNGACCZ-QGZVFWFLSA-N 1 2 328.460 2.032 10 30 EEEELO C=CCC1(C(=O)NC[C@H]2CC[N@H+]2Cc2c(C)noc2C)CCOCC1 ZINC001499109157 1108603777 /nfs/dbraw/zinc/60/37/77/1108603777.db2.gz YDTJAGFUDKSXOM-MRXNPFEDSA-N 1 2 347.459 2.355 10 30 EEEELO C=CCC1(C(=O)NC[C@H]2CC[N@@H+]2Cc2c(C)noc2C)CCOCC1 ZINC001499109157 1108603784 /nfs/dbraw/zinc/60/37/84/1108603784.db2.gz YDTJAGFUDKSXOM-MRXNPFEDSA-N 1 2 347.459 2.355 10 30 EEEELO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H](C#N)C2)c([N+](=O)[O-])c1 ZINC001460751596 1110323086 /nfs/dbraw/zinc/32/30/86/1110323086.db2.gz SMAVHGHIHGEYMA-LBPRGKRZSA-N 1 2 332.360 2.168 10 30 EEEELO COc1ccc(NC(=O)CC[N@H+]2CCC[C@@H](C#N)C2)c([N+](=O)[O-])c1 ZINC001460751596 1110323088 /nfs/dbraw/zinc/32/30/88/1110323088.db2.gz SMAVHGHIHGEYMA-LBPRGKRZSA-N 1 2 332.360 2.168 10 30 EEEELO CC(C)(CNC(=O)c1ccn(-c2cccc(C#N)c2)n1)n1cc[nH+]c1 ZINC001470568953 1110508132 /nfs/dbraw/zinc/50/81/32/1110508132.db2.gz VYWFLBBGQCBQHE-UHFFFAOYSA-N 1 2 334.383 2.106 10 30 EEEELO C#CCCCC(=O)NC1(CNC(=O)C[C@@H](C)n2cc[nH+]c2)CCCC1 ZINC001499472158 1112303243 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CC[C@H](CC#N)[NH2+]CC(=O)NCc1c(C)nn(-c2ccccc2)c1C ZINC000580901191 468484570 /nfs/dbraw/zinc/48/45/70/468484570.db2.gz MIRTWSUXRGPWRG-MRXNPFEDSA-N 1 2 339.443 2.387 10 30 EEEELO CC(C)(C)c1nnc2n1CCN(Cc1c[nH+]c3ccc(C#N)cn13)C2 ZINC000597242635 468493638 /nfs/dbraw/zinc/49/36/38/468493638.db2.gz KSCZYWJDYFQQIC-UHFFFAOYSA-N 1 2 335.415 2.111 10 30 EEEELO N#CCCC[C@H]([NH3+])C(=O)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000424170106 466995643 /nfs/dbraw/zinc/99/56/43/466995643.db2.gz JDLVPLHTMCXYOF-LSDHHAIUSA-N 1 2 338.415 2.156 10 30 EEEELO Cc1cn2cc(NS(=O)(=O)c3cnc(C)c(C#N)c3)ccc2[nH+]1 ZINC000427772908 467177859 /nfs/dbraw/zinc/17/78/59/467177859.db2.gz HIEFJJIVOZBUKB-UHFFFAOYSA-N 1 2 327.369 2.019 10 30 EEEELO C[C@H]1C[N@H+](Cc2cccc(C#N)c2)CCN1C(=O)c1cscn1 ZINC000453576001 467498668 /nfs/dbraw/zinc/49/86/68/467498668.db2.gz OYDQAIWHOMBDCO-ZDUSSCGKSA-N 1 2 326.425 2.361 10 30 EEEELO C[C@H]1C[N@@H+](Cc2cccc(C#N)c2)CCN1C(=O)c1cscn1 ZINC000453576001 467498669 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345.487 2.099 10 30 EEEELO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CC=CCC1 ZINC001317049866 1332060520 /nfs/dbraw/zinc/06/05/20/1332060520.db2.gz HDZSPUVWSRHKCD-XDNAFOTISA-N 1 2 345.487 2.099 10 30 EEEELO C=CCCO[C@@H](C)C(=O)N1CC[C@H]([NH2+]Cc2ncc(C3CC3)o2)C1 ZINC001317055918 1332063476 /nfs/dbraw/zinc/06/34/76/1332063476.db2.gz BXGBLOOYPSLVFJ-ZFWWWQNUSA-N 1 2 333.432 2.224 10 30 EEEELO C=CCCCC(=O)N1CC[C@H]([NH2+]Cc2noc(-c3ccoc3)n2)C1 ZINC001317306355 1332172227 /nfs/dbraw/zinc/17/22/27/1332172227.db2.gz WFHAZGBPFWDAJI-AWEZNQCLSA-N 1 2 330.388 2.376 10 30 EEEELO CC#CCCCC(=O)N1CCC[C@@H]([N@H+](C)Cc2cn(C(C)C)nn2)C1 ZINC001317379242 1332205865 /nfs/dbraw/zinc/20/58/65/1332205865.db2.gz MCTPCPNGPJHXRP-GOSISDBHSA-N 1 2 345.491 2.475 10 30 EEEELO CC#CCCCC(=O)N1CCC[C@@H]([N@@H+](C)Cc2cn(C(C)C)nn2)C1 ZINC001317379242 1332205866 /nfs/dbraw/zinc/20/58/66/1332205866.db2.gz MCTPCPNGPJHXRP-GOSISDBHSA-N 1 2 345.491 2.475 10 30 EEEELO CC[N@H+](CCNC(=O)C#CC(C)C)CC(=O)Nc1ccc(C)cc1C ZINC001317480359 1332259432 /nfs/dbraw/zinc/25/94/32/1332259432.db2.gz SJLYRQHCCDNFDQ-UHFFFAOYSA-N 1 2 343.471 2.339 10 30 EEEELO CC[N@@H+](CCNC(=O)C#CC(C)C)CC(=O)Nc1ccc(C)cc1C ZINC001317480359 1332259436 /nfs/dbraw/zinc/25/94/36/1332259436.db2.gz SJLYRQHCCDNFDQ-UHFFFAOYSA-N 1 2 343.471 2.339 10 30 EEEELO Cc1cnc(C[N@@H+]2CCC[C@@H]2CNC(=O)CC#Cc2ccccc2)nc1 ZINC001317517505 1332278416 /nfs/dbraw/zinc/27/84/16/1332278416.db2.gz SACLQLVTXOBMEZ-LJQANCHMSA-N 1 2 348.450 2.307 10 30 EEEELO Cc1cnc(C[N@H+]2CCC[C@@H]2CNC(=O)CC#Cc2ccccc2)nc1 ZINC001317517505 1332278419 /nfs/dbraw/zinc/27/84/19/1332278419.db2.gz SACLQLVTXOBMEZ-LJQANCHMSA-N 1 2 348.450 2.307 10 30 EEEELO CC#CCCCC(=O)N(C)CCN1CC[NH+](CCC(F)(F)F)CC1 ZINC001317821060 1332420617 /nfs/dbraw/zinc/42/06/17/1332420617.db2.gz ZLHMXCKBZKDBER-UHFFFAOYSA-N 1 2 347.425 2.208 10 30 EEEELO COCC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)c1ccc(Cl)cc1 ZINC001318216974 1332490115 /nfs/dbraw/zinc/49/01/15/1332490115.db2.gz WCRHKDHUUQQHKT-WBAXXEDZSA-N 1 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ZINC001324362529 1333665859 /nfs/dbraw/zinc/66/58/59/1333665859.db2.gz QTVBDVNLCXVBBS-UHFFFAOYSA-N 1 2 327.384 2.316 10 30 EEEELO C#CCN(C(=O)CO[C@H](C)CC)C1CC[NH+](Cc2nocc2C)CC1 ZINC001324385347 1333671511 /nfs/dbraw/zinc/67/15/11/1333671511.db2.gz ZXGAFWXEOMMEMB-MRXNPFEDSA-N 1 2 347.459 2.224 10 30 EEEELO C=CCC(C)(C)C(=O)NC[C@]1(C)CCC[N@@H+](Cc2cnn(C)n2)C1 ZINC001324960046 1333797222 /nfs/dbraw/zinc/79/72/22/1333797222.db2.gz DLMAOVPBNIJCDN-SFHVURJKSA-N 1 2 333.480 2.136 10 30 EEEELO C=CCC(C)(C)C(=O)NC[C@]1(C)CCC[N@H+](Cc2cnn(C)n2)C1 ZINC001324960046 1333797228 /nfs/dbraw/zinc/79/72/28/1333797228.db2.gz DLMAOVPBNIJCDN-SFHVURJKSA-N 1 2 333.480 2.136 10 30 EEEELO C=CCCOCC(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2Cc1nccs1 ZINC001325914509 1333992833 /nfs/dbraw/zinc/99/28/33/1333992833.db2.gz AQFOFGVHTWJQAS-LSDHHAIUSA-N 1 2 335.473 2.301 10 30 EEEELO C=CCCOCC(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2Cc1nccs1 ZINC001325914509 1333992836 /nfs/dbraw/zinc/99/28/36/1333992836.db2.gz AQFOFGVHTWJQAS-LSDHHAIUSA-N 1 2 335.473 2.301 10 30 EEEELO C#CCC1(C(=O)N(C)CCC[N@H+](C)Cc2cnn(C)n2)CCCCC1 ZINC001327291880 1334260814 /nfs/dbraw/zinc/26/08/14/1334260814.db2.gz UDQWGAAHSSQLFB-UHFFFAOYSA-N 1 2 345.491 2.069 10 30 EEEELO C#CCC1(C(=O)N(C)CCC[N@@H+](C)Cc2cnn(C)n2)CCCCC1 ZINC001327291880 1334260817 /nfs/dbraw/zinc/26/08/17/1334260817.db2.gz UDQWGAAHSSQLFB-UHFFFAOYSA-N 1 2 345.491 2.069 10 30 EEEELO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)CCCn1cccc1)O2 ZINC001327366107 1334278402 /nfs/dbraw/zinc/27/84/02/1334278402.db2.gz XLZKMCXKUGBDHE-QGZVFWFLSA-N 1 2 331.460 2.194 10 30 EEEELO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[N@@H+](Cc2nncn2C)CC1(C)C ZINC001328084683 1334393754 /nfs/dbraw/zinc/39/37/54/1334393754.db2.gz ZTDWFWLYMMXBTP-CQSZACIVSA-N 1 2 333.480 2.134 10 30 EEEELO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[N@H+](Cc2nncn2C)CC1(C)C ZINC001328084683 1334393756 /nfs/dbraw/zinc/39/37/56/1334393756.db2.gz ZTDWFWLYMMXBTP-CQSZACIVSA-N 1 2 333.480 2.134 10 30 EEEELO C#CC[NH+]1CC(N2CCN(C(=O)[C@H](CC)CCCCCC)CC2)C1 ZINC001328128327 1334401729 /nfs/dbraw/zinc/40/17/29/1334401729.db2.gz DOXVEJGPKOKUIT-GOSISDBHSA-N 1 2 333.520 2.445 10 30 EEEELO C=CCCC(=O)NC1(CO)CC[NH+](Cc2nc(C)sc2C)CC1 ZINC001328516588 1334472348 /nfs/dbraw/zinc/47/23/48/1334472348.db2.gz NPKFCBTUAIJFLK-UHFFFAOYSA-N 1 2 337.489 2.169 10 30 EEEELO C=CCCO[C@H](C)C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1nccc(C)n1 ZINC001328707106 1334503664 /nfs/dbraw/zinc/50/36/64/1334503664.db2.gz LBEPGLRLVRAXNN-IAGOWNOFSA-N 1 2 346.475 2.189 10 30 EEEELO C=CCCO[C@H](C)C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1nccc(C)n1 ZINC001328707106 1334503668 /nfs/dbraw/zinc/50/36/68/1334503668.db2.gz LBEPGLRLVRAXNN-IAGOWNOFSA-N 1 2 346.475 2.189 10 30 EEEELO C=CC(C)(C)CC(=O)NC[C@@H](C)[N@H+](C)[C@@H](C(N)=O)c1ccc(F)cc1 ZINC001329451246 1334653860 /nfs/dbraw/zinc/65/38/60/1334653860.db2.gz RWGRAXOPZHGPJQ-CXAGYDPISA-N 1 2 349.450 2.391 10 30 EEEELO C=CC(C)(C)CC(=O)NC[C@@H](C)[N@@H+](C)[C@@H](C(N)=O)c1ccc(F)cc1 ZINC001329451246 1334653866 /nfs/dbraw/zinc/65/38/66/1334653866.db2.gz RWGRAXOPZHGPJQ-CXAGYDPISA-N 1 2 349.450 2.391 10 30 EEEELO C=C(C)C(C)(C)C(=O)NC[C@@H](C)[N@H+](C)CC(=O)Nc1nccs1 ZINC001329500640 1334663698 /nfs/dbraw/zinc/66/36/98/1334663698.db2.gz JXEAZVDDROIQHQ-GFCCVEGCSA-N 1 2 338.477 2.120 10 30 EEEELO C=C(C)C(C)(C)C(=O)NC[C@@H](C)[N@@H+](C)CC(=O)Nc1nccs1 ZINC001329500640 1334663702 /nfs/dbraw/zinc/66/37/02/1334663702.db2.gz JXEAZVDDROIQHQ-GFCCVEGCSA-N 1 2 338.477 2.120 10 30 EEEELO C#CCC[NH+]1CC(CCO)(NC(=O)C[C@@H](C)c2ccccc2C)C1 ZINC001329705334 1334699525 /nfs/dbraw/zinc/69/95/25/1334699525.db2.gz MXTLGDSAECPZNH-QGZVFWFLSA-N 1 2 328.456 2.065 10 30 EEEELO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@@H+](Cc2ncc(C)s2)CC1(C)C ZINC001330189017 1334798844 /nfs/dbraw/zinc/79/88/44/1334798844.db2.gz BGNIVVLGEIWPRC-CXAGYDPISA-N 1 2 337.489 2.105 10 30 EEEELO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@H+](Cc2ncc(C)s2)CC1(C)C ZINC001330189017 1334798847 /nfs/dbraw/zinc/79/88/47/1334798847.db2.gz BGNIVVLGEIWPRC-CXAGYDPISA-N 1 2 337.489 2.105 10 30 EEEELO C#CCCCC(=O)N[C@H]1C[C@H](C[NH2+]Cc2noc(C3CCC3)n2)C1 ZINC001330587287 1334874535 /nfs/dbraw/zinc/87/45/35/1334874535.db2.gz LRGXWWIVLMOYGF-CTYIDZIISA-N 1 2 330.432 2.125 10 30 EEEELO C=CC(C)(C)CC(=O)N(C)C[C@@H](O)C[N@@H+](C)[C@@H](C)c1ncc(C)o1 ZINC001332634461 1335868820 /nfs/dbraw/zinc/86/88/20/1335868820.db2.gz WRCGTNNGKNGQDL-GJZGRUSLSA-N 1 2 337.464 2.397 10 30 EEEELO C=CC(C)(C)CC(=O)N(C)C[C@@H](O)C[N@H+](C)[C@@H](C)c1ncc(C)o1 ZINC001332634461 1335868825 /nfs/dbraw/zinc/86/88/25/1335868825.db2.gz WRCGTNNGKNGQDL-GJZGRUSLSA-N 1 2 337.464 2.397 10 30 EEEELO C=C1CCC(C(=O)N(CC[N@H+](C)CC(=O)NCC2CC2)C(C)C)CC1 ZINC001332724737 1335892261 /nfs/dbraw/zinc/89/22/61/1335892261.db2.gz VJYKCENQLPOKGZ-UHFFFAOYSA-N 1 2 349.519 2.428 10 30 EEEELO C=C1CCC(C(=O)N(CC[N@@H+](C)CC(=O)NCC2CC2)C(C)C)CC1 ZINC001332724737 1335892264 /nfs/dbraw/zinc/89/22/64/1335892264.db2.gz VJYKCENQLPOKGZ-UHFFFAOYSA-N 1 2 349.519 2.428 10 30 EEEELO C=CCOCC[NH2+]C[C@@H](NC(=O)C(F)C(F)(F)F)C(C)(C)C ZINC001332805500 1335910587 /nfs/dbraw/zinc/91/05/87/1335910587.db2.gz DALPSKKXSWLJRX-MNOVXSKESA-N 1 2 328.350 2.210 10 30 EEEELO C=CCOCC[NH2+]C[C@@H](NC(=O)[C@H](F)C(F)(F)F)C(C)(C)C ZINC001332805500 1335910588 /nfs/dbraw/zinc/91/05/88/1335910588.db2.gz DALPSKKXSWLJRX-MNOVXSKESA-N 1 2 328.350 2.210 10 30 EEEELO C=CCCCC(=O)NCC1=CC[N@H+](Cc2noc3c2COCC3)CC1 ZINC001333390128 1336030197 /nfs/dbraw/zinc/03/01/97/1336030197.db2.gz IMKUHYYLVGDOGT-UHFFFAOYSA-N 1 2 345.443 2.352 10 30 EEEELO C=CCCCC(=O)NCC1=CC[N@@H+](Cc2noc3c2COCC3)CC1 ZINC001333390128 1336030203 /nfs/dbraw/zinc/03/02/03/1336030203.db2.gz IMKUHYYLVGDOGT-UHFFFAOYSA-N 1 2 345.443 2.352 10 30 EEEELO COc1ccccc1-n1nccc1C[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC001333718250 1336113445 /nfs/dbraw/zinc/11/34/45/1336113445.db2.gz GGIPASIMZNMJBJ-HZPDHXFCSA-N 1 2 339.443 2.299 10 30 EEEELO C=C(C)CCC(=O)N[C@@H](C)[C@@H](C)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001333917220 1336173347 /nfs/dbraw/zinc/17/33/47/1336173347.db2.gz RMZABGPKXGOUGQ-LSDHHAIUSA-N 1 2 334.464 2.292 10 30 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Cc1csc([C@H](C)[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)n1 ZINC000163154210 463568010 /nfs/dbraw/zinc/56/80/10/463568010.db2.gz CGKHOIDKJAJYRF-LBPRGKRZSA-N 1 2 335.454 2.448 10 30 EEEELO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCO[C@@H](c3cccs3)C2)cc1 ZINC000268445497 463746657 /nfs/dbraw/zinc/74/66/57/463746657.db2.gz HXUNAPRBPLDDOQ-NVXWUHKLSA-N 1 2 344.436 2.433 10 30 EEEELO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCO[C@@H](c3cccs3)C2)cc1 ZINC000268445497 463746661 /nfs/dbraw/zinc/74/66/61/463746661.db2.gz HXUNAPRBPLDDOQ-NVXWUHKLSA-N 1 2 344.436 2.433 10 30 EEEELO Cc1nsc(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1C#N ZINC000291399237 464153157 /nfs/dbraw/zinc/15/31/57/464153157.db2.gz DPSPZCHRCWXTIK-OAHLLOKOSA-N 1 2 342.424 2.163 10 30 EEEELO Cc1nsc(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1C#N ZINC000291399237 464153164 /nfs/dbraw/zinc/15/31/64/464153164.db2.gz DPSPZCHRCWXTIK-OAHLLOKOSA-N 1 2 342.424 2.163 10 30 EEEELO C=CCCCNC(=O)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000280615832 464222102 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C=CCNC(=O)C[N@H+]1C[C@@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000246838718 464625625 /nfs/dbraw/zinc/62/56/25/464625625.db2.gz VCZKXPBQWXKYOG-KBPBESRZSA-N 1 2 328.334 2.115 10 30 EEEELO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CC[S@@](=O)C(CC)(CC)C1 ZINC000248987014 464827509 /nfs/dbraw/zinc/82/75/09/464827509.db2.gz KFVAOXVZZZYBRX-IVZQSRNASA-N 1 2 328.522 2.423 10 30 EEEELO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CC[S@@](=O)C(CC)(CC)C1 ZINC000248987014 464827518 /nfs/dbraw/zinc/82/75/18/464827518.db2.gz KFVAOXVZZZYBRX-IVZQSRNASA-N 1 2 328.522 2.423 10 30 EEEELO C=CC[N@@H+](Cc1cc(Br)ccc1F)[C@@H]1CCNC1=O ZINC000298174648 465322099 /nfs/dbraw/zinc/32/20/99/465322099.db2.gz QYBAPWWAUXTTDP-CYBMUJFWSA-N 1 2 327.197 2.465 10 30 EEEELO C=CC[N@H+](Cc1cc(Br)ccc1F)[C@@H]1CCNC1=O ZINC000298174648 465322103 /nfs/dbraw/zinc/32/21/03/465322103.db2.gz QYBAPWWAUXTTDP-CYBMUJFWSA-N 1 2 327.197 2.465 10 30 EEEELO COc1ccc(C[NH+]2CCN(CC3(C#N)CC3)CC2)c(OC)c1OC ZINC000343234991 465492239 /nfs/dbraw/zinc/49/22/39/465492239.db2.gz DDRKHKWBSVNMDG-UHFFFAOYSA-N 1 2 345.443 2.134 10 30 EEEELO C[C@@H]1OCC[C@@H]1[N@H+](CCO)CC(=O)Nc1nc2c(s1)CCCC2 ZINC000330136256 465544912 /nfs/dbraw/zinc/54/49/12/465544912.db2.gz UAVVIJVYAOMQJB-AAEUAGOBSA-N 1 2 339.461 2.082 10 30 EEEELO C[C@@H]1OCC[C@@H]1[N@@H+](CCO)CC(=O)Nc1nc2c(s1)CCCC2 ZINC000330136256 465544917 /nfs/dbraw/zinc/54/49/17/465544917.db2.gz UAVVIJVYAOMQJB-AAEUAGOBSA-N 1 2 339.461 2.082 10 30 EEEELO C[C@@H]1CCN(S(=O)(=O)CC2(C#N)CCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000352875316 465563102 /nfs/dbraw/zinc/56/31/02/465563102.db2.gz YGFLEEQTFAYRQH-CABCVRRESA-N 1 2 336.461 2.180 10 30 EEEELO C#CCCNC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000371379122 465755383 /nfs/dbraw/zinc/75/53/83/465755383.db2.gz NNDZOMZAZNVSLA-JKSUJKDBSA-N 1 2 335.835 2.034 10 30 EEEELO C#CCCNC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000371379122 465755391 /nfs/dbraw/zinc/75/53/91/465755391.db2.gz NNDZOMZAZNVSLA-JKSUJKDBSA-N 1 2 335.835 2.034 10 30 EEEELO C=CCCCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000361116260 465775594 /nfs/dbraw/zinc/77/55/94/465775594.db2.gz QJOAQXGRKYCSMV-HZPDHXFCSA-N 1 2 349.862 2.284 10 30 EEEELO C=CCCCNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000361116260 465775601 /nfs/dbraw/zinc/77/56/01/465775601.db2.gz QJOAQXGRKYCSMV-HZPDHXFCSA-N 1 2 349.862 2.284 10 30 EEEELO CNC(=O)N[C@@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000330954699 465871709 /nfs/dbraw/zinc/87/17/09/465871709.db2.gz SQUPOIHUQDQVIC-SNVBAGLBSA-N 1 2 345.230 2.140 10 30 EEEELO CNC(=O)N[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000330954699 465871717 /nfs/dbraw/zinc/87/17/17/465871717.db2.gz SQUPOIHUQDQVIC-SNVBAGLBSA-N 1 2 345.230 2.140 10 30 EEEELO Cc1cc(C[N@H+]2C[C@@H](F)C[C@H]2CN(C)c2ccc(C#N)cn2)on1 ZINC000349861633 466279746 /nfs/dbraw/zinc/27/97/46/466279746.db2.gz QNLSCIFTHYGHGD-GJZGRUSLSA-N 1 2 329.379 2.299 10 30 EEEELO Cc1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CN(C)c2ccc(C#N)cn2)on1 ZINC000349861633 466279754 /nfs/dbraw/zinc/27/97/54/466279754.db2.gz QNLSCIFTHYGHGD-GJZGRUSLSA-N 1 2 329.379 2.299 10 30 EEEELO C[C@H](CNC(=O)c1cc(C#N)ccc1Cl)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594098146 468484000 /nfs/dbraw/zinc/48/40/00/468484000.db2.gz DXIZYAKZQNADMA-UPJWGTAASA-N 1 2 335.835 2.439 10 30 EEEELO C[C@H](CNC(=O)c1cc(C#N)ccc1Cl)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594098146 468484006 /nfs/dbraw/zinc/48/40/06/468484006.db2.gz DXIZYAKZQNADMA-UPJWGTAASA-N 1 2 335.835 2.439 10 30 EEEELO C[C@@H](CNC(=O)c1cc(C#N)ccc1Cl)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594098144 468484341 /nfs/dbraw/zinc/48/43/41/468484341.db2.gz DXIZYAKZQNADMA-RWMBFGLXSA-N 1 2 335.835 2.439 10 30 EEEELO C[C@@H](CNC(=O)c1cc(C#N)ccc1Cl)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594098144 468484344 /nfs/dbraw/zinc/48/43/44/468484344.db2.gz DXIZYAKZQNADMA-RWMBFGLXSA-N 1 2 335.835 2.439 10 30 EEEELO N#Cc1ccc2[nH+]cc(CN3CCNC(=O)[C@@H]3c3ccccc3F)n2c1 ZINC000363857161 466639084 /nfs/dbraw/zinc/63/90/84/466639084.db2.gz YVIQVTIFQPDVNW-SFHVURJKSA-N 1 2 349.369 2.018 10 30 EEEELO Cn1c(C#N)ccc1C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000451022553 467227962 /nfs/dbraw/zinc/22/79/62/467227962.db2.gz BSRHQIXLOGMWLB-UHFFFAOYSA-N 1 2 342.830 2.338 10 30 EEEELO Cn1c(C#N)ccc1C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000451022553 467227966 /nfs/dbraw/zinc/22/79/66/467227966.db2.gz BSRHQIXLOGMWLB-UHFFFAOYSA-N 1 2 342.830 2.338 10 30 EEEELO N#Cc1cccnc1N1CC[NH+](Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000435133367 467449476 /nfs/dbraw/zinc/44/94/76/467449476.db2.gz QPDQCKRPEGCPCT-UHFFFAOYSA-N 1 2 334.383 2.259 10 30 EEEELO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CC[C@@H](C)[C@H](O)C1 ZINC000408090316 467507687 /nfs/dbraw/zinc/50/76/87/467507687.db2.gz LSTMSLWBGPJLSF-UHIISALHSA-N 1 2 333.457 2.138 10 30 EEEELO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CC[C@@H](C)[C@H](O)C1 ZINC000408090316 467507689 /nfs/dbraw/zinc/50/76/89/467507689.db2.gz LSTMSLWBGPJLSF-UHIISALHSA-N 1 2 333.457 2.138 10 30 EEEELO C=CCN1CC[C@H]([N@@H+](C)Cc2cc(OCC)c(OC)cc2F)C1=O ZINC000529554170 467878488 /nfs/dbraw/zinc/87/84/88/467878488.db2.gz CTLJHUVFQRRQLX-HNNXBMFYSA-N 1 2 336.407 2.452 10 30 EEEELO C=CCN1CC[C@H]([N@H+](C)Cc2cc(OCC)c(OC)cc2F)C1=O ZINC000529554170 467878490 /nfs/dbraw/zinc/87/84/90/467878490.db2.gz CTLJHUVFQRRQLX-HNNXBMFYSA-N 1 2 336.407 2.452 10 30 EEEELO N#Cc1ccc(C(=O)N(CCn2cc[nH+]c2)C2CCSCC2)cn1 ZINC000597641292 468624507 /nfs/dbraw/zinc/62/45/07/468624507.db2.gz QKXGHAWLUPOYLS-UHFFFAOYSA-N 1 2 341.440 2.188 10 30 EEEELO CCn1cc[nH+]c1[C@@H](C)NS(=O)(=O)Cc1ccc(CC#N)cc1 ZINC000583141242 468651112 /nfs/dbraw/zinc/65/11/12/468651112.db2.gz KPFAODCEHQHXFX-CYBMUJFWSA-N 1 2 332.429 2.150 10 30 EEEELO N#Cc1csc(C[NH2+]Cc2ccnc(N3CCSCC3)c2)n1 ZINC000601151585 468762511 /nfs/dbraw/zinc/76/25/11/468762511.db2.gz CPKKSTRHEKODSE-UHFFFAOYSA-N 1 2 331.470 2.253 10 30 EEEELO COC(=O)CC[N@@H+](Cc1c(C#N)cccc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000560577341 468830953 /nfs/dbraw/zinc/83/09/53/468830953.db2.gz MRKFKCDUILABNM-CQSZACIVSA-N 1 2 347.371 2.011 10 30 EEEELO COC(=O)CC[N@H+](Cc1c(C#N)cccc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000560577341 468830960 /nfs/dbraw/zinc/83/09/60/468830960.db2.gz MRKFKCDUILABNM-CQSZACIVSA-N 1 2 347.371 2.011 10 30 EEEELO COc1nc(C)cc(C)c1C[N@H+](C)CC(=O)N[C@@](C)(C#N)C(C)C ZINC000598647925 468945231 /nfs/dbraw/zinc/94/52/31/468945231.db2.gz FYSWECYBDKQXJF-SFHVURJKSA-N 1 2 332.448 2.193 10 30 EEEELO COc1nc(C)cc(C)c1C[N@@H+](C)CC(=O)N[C@@](C)(C#N)C(C)C ZINC000598647925 468945235 /nfs/dbraw/zinc/94/52/35/468945235.db2.gz FYSWECYBDKQXJF-SFHVURJKSA-N 1 2 332.448 2.193 10 30 EEEELO N#Cc1ccsc1C(=O)N1CCc2[nH]c[nH+]c2C12CCOCC2 ZINC000601657952 468954570 /nfs/dbraw/zinc/95/45/70/468954570.db2.gz ZTNXGQGMRKBFKL-UHFFFAOYSA-N 1 2 328.397 2.047 10 30 EEEELO C[C@@H](O)[C@@H]1CCN(c2cc(N3Cc4cccc(C#N)c4C3)nc[nH+]2)C1 ZINC000593519438 469013917 /nfs/dbraw/zinc/01/39/17/469013917.db2.gz BZLJAHMCDXVMOI-UKRRQHHQSA-N 1 2 335.411 2.076 10 30 EEEELO C[C@@H](O)[C@@H]1CCN(c2cc(N3Cc4cccc(C#N)c4C3)[nH+]cn2)C1 ZINC000593519438 469013923 /nfs/dbraw/zinc/01/39/23/469013923.db2.gz BZLJAHMCDXVMOI-UKRRQHHQSA-N 1 2 335.411 2.076 10 30 EEEELO CC(C)(C#N)c1ccc(S(=O)(=O)NCCCn2cc[nH+]c2)cc1 ZINC000593523946 469015930 /nfs/dbraw/zinc/01/59/30/469015930.db2.gz UHJQISRCVKQLRD-UHFFFAOYSA-N 1 2 332.429 2.053 10 30 EEEELO COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000595843438 469039037 /nfs/dbraw/zinc/03/90/37/469039037.db2.gz BCIDUVRCEADKKK-CQSZACIVSA-N 1 2 341.415 2.211 10 30 EEEELO C=C(C)C[C@H]([NH2+][C@@H](C)CCN1C(=O)c2ccccc2C1=O)C(=O)OC ZINC000602734684 469039900 /nfs/dbraw/zinc/03/99/00/469039900.db2.gz RGRIEGRUEJIDHU-BBRMVZONSA-N 1 2 344.411 2.159 10 30 EEEELO N#CCCn1ncc(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)c1-c1ccccc1 ZINC000598948775 469062771 /nfs/dbraw/zinc/06/27/71/469062771.db2.gz UQNGWUWKNCJXPT-OAHLLOKOSA-N 1 2 346.394 2.015 10 30 EEEELO Cc1cc(C#N)cc(NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)[nH+]c2)n1 ZINC000587224506 469086092 /nfs/dbraw/zinc/08/60/92/469086092.db2.gz FJTQACMVKVCWFJ-HUUCEWRRSA-N 1 2 337.427 2.882 10 30 EEEELO N#Cc1ccc(N2CCC[C@@H]([N@H+]3CCO[C@H](CCF)C3)C2=O)cc1 ZINC000599644362 469320823 /nfs/dbraw/zinc/32/08/23/469320823.db2.gz YKSWZUYZHCCOQD-IAGOWNOFSA-N 1 2 331.391 2.114 10 30 EEEELO N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CCO[C@H](CCF)C3)C2=O)cc1 ZINC000599644362 469320829 /nfs/dbraw/zinc/32/08/29/469320829.db2.gz YKSWZUYZHCCOQD-IAGOWNOFSA-N 1 2 331.391 2.114 10 30 EEEELO C[C@@H](C(=O)NCC(F)(F)F)[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599686668 469338360 /nfs/dbraw/zinc/33/83/60/469338360.db2.gz UYJXCPBJXXLSAV-NSHDSACASA-N 1 2 325.334 2.178 10 30 EEEELO C[C@@H](C(=O)NCC(F)(F)F)[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599686668 469338362 /nfs/dbraw/zinc/33/83/62/469338362.db2.gz UYJXCPBJXXLSAV-NSHDSACASA-N 1 2 325.334 2.178 10 30 EEEELO CC(C)C[C@H](C#N)NS(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000612735314 469538920 /nfs/dbraw/zinc/53/89/20/469538920.db2.gz FCZVSUZUOWQUBK-OAHLLOKOSA-N 1 2 332.429 2.148 10 30 EEEELO CC(C)[C@H](C#N)N1CC[NH+](CC(=O)N[C@@H](C)c2ccc(F)cc2)CC1 ZINC000609484336 469932130 /nfs/dbraw/zinc/93/21/30/469932130.db2.gz ASRGTKQUGMSZEN-YJBOKZPZSA-N 1 2 346.450 2.169 10 30 EEEELO C=CCNC(=O)c1ccc(NC(=O)[C@H]2CCn3cc(C)[nH+]c3C2)cc1 ZINC000624439434 469939924 /nfs/dbraw/zinc/93/99/24/469939924.db2.gz SPIXAZVIQTVXAP-HNNXBMFYSA-N 1 2 338.411 2.308 10 30 EEEELO C=CCOc1ccc(C[NH+]2CCN(c3nccnn3)CC2)cc1Cl ZINC000628388731 470102408 /nfs/dbraw/zinc/10/24/08/470102408.db2.gz VXWTWHLFWPQUTC-UHFFFAOYSA-N 1 2 345.834 2.412 10 30 EEEELO C=CC(C)(C)CCNC(=O)C(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000637042754 470575256 /nfs/dbraw/zinc/57/52/56/470575256.db2.gz PRPGXWPXAALJEY-UHFFFAOYSA-N 1 2 344.459 2.017 10 30 EEEELO C=CCCn1cc(C[NH2+][C@@H](C)c2ccc(S(C)(=O)=O)cc2)nn1 ZINC000653597951 471680556 /nfs/dbraw/zinc/68/05/56/471680556.db2.gz HIDZVSBRKRRCNE-ZDUSSCGKSA-N 1 2 334.445 2.109 10 30 EEEELO C=C(C)CN(C)C(=O)NC[C@@H]1CN(C)CC[N@@H+]1Cc1ccccc1 ZINC000662114605 471992748 /nfs/dbraw/zinc/99/27/48/471992748.db2.gz WHZGOLSINXJZOD-GOSISDBHSA-N 1 2 330.476 2.020 10 30 EEEELO C=C(C)CN(C)C(=O)NC[C@@H]1CN(C)CC[N@H+]1Cc1ccccc1 ZINC000662114605 471992755 /nfs/dbraw/zinc/99/27/55/471992755.db2.gz WHZGOLSINXJZOD-GOSISDBHSA-N 1 2 330.476 2.020 10 30 EEEELO C=CCC1(C(=O)N2CC[NH+](Cc3c(C)nn(C)c3C)CC2)CCC1 ZINC000191835338 527044450 /nfs/dbraw/zinc/04/44/50/527044450.db2.gz CLVLTARAPVRWHT-UHFFFAOYSA-N 1 2 330.476 2.428 10 30 EEEELO CN(C)c1cc(COC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)cc[nH+]1 ZINC000767585476 577540374 /nfs/dbraw/zinc/54/03/74/577540374.db2.gz GVLHNHKBAGZTBR-GOSISDBHSA-N 1 2 347.415 2.452 10 30 EEEELO CC1=C(C(=O)C=Cc2c[nH+]c3ccc(C#N)cn23)[C@@H](C)N2NN=NC2=N1 ZINC000752885085 577777586 /nfs/dbraw/zinc/77/75/86/577777586.db2.gz UGKAWQLNMNGXEU-DOGVGXBMSA-N 1 2 346.354 2.008 10 30 EEEELO Cc1ccnc(C2CC[NH+]([C@@H](C(N)=O)c3ccc(C#N)cc3)CC2)n1 ZINC000755221043 577822067 /nfs/dbraw/zinc/82/20/67/577822067.db2.gz GVKSPSLGJKCPMZ-QGZVFWFLSA-N 1 2 335.411 2.063 10 30 EEEELO COc1ccc(C[N@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)c(OC)c1OC ZINC000895489747 684618740 /nfs/dbraw/zinc/61/87/40/684618740.db2.gz HYFRFXNJKVPLFF-OKILXGFUSA-N 1 2 333.432 2.131 10 30 EEEELO COc1ccc(C[N@@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)c(OC)c1OC ZINC000895489747 684618741 /nfs/dbraw/zinc/61/87/41/684618741.db2.gz HYFRFXNJKVPLFF-OKILXGFUSA-N 1 2 333.432 2.131 10 30 EEEELO C=C(C)C[C@@H]([NH2+]C1CC(CNC(=O)OC(C)(C)C)C1)C(=O)OC ZINC000895753618 684712058 /nfs/dbraw/zinc/71/20/58/684712058.db2.gz JLRLCZJLRIUUHL-JXQTWKCFSA-N 1 2 326.437 2.387 10 30 EEEELO C=CCOC(=O)[C@@H]([NH3+])Cc1nc(Cc2ccc(F)cc2Cl)no1 ZINC000904088205 694288574 /nfs/dbraw/zinc/28/85/74/694288574.db2.gz PRSGBFULMILFOZ-LBPRGKRZSA-N 1 2 339.754 2.052 10 30 EEEELO C=C[C@](C)(O)CC(=O)NCC[N@@H+](C)Cc1cc(-c2cccs2)on1 ZINC001480858878 1176036914 /nfs/dbraw/zinc/03/69/14/1176036914.db2.gz XYBVLSDKHZYDPC-KRWDZBQOSA-N 1 2 349.456 2.278 10 30 EEEELO C=C[C@](C)(O)CC(=O)NCC[N@H+](C)Cc1cc(-c2cccs2)on1 ZINC001480858878 1176036918 /nfs/dbraw/zinc/03/69/18/1176036918.db2.gz XYBVLSDKHZYDPC-KRWDZBQOSA-N 1 2 349.456 2.278 10 30 EEEELO C=C(C)CCC(=O)NCCCN1CC[NH+](Cc2ncccc2C)CC1 ZINC001266264869 1176058921 /nfs/dbraw/zinc/05/89/21/1176058921.db2.gz MVHUOGPQAWBOTO-UHFFFAOYSA-N 1 2 344.503 2.370 10 30 EEEELO CN(CC1CCCCC1)C(=O)C[N@H+](C)CCNC(=O)C#CC(C)(C)C ZINC001480863468 1176066471 /nfs/dbraw/zinc/06/64/71/1176066471.db2.gz XOYLBLXCZYPFDQ-UHFFFAOYSA-N 1 2 349.519 2.123 10 30 EEEELO CN(CC1CCCCC1)C(=O)C[N@@H+](C)CCNC(=O)C#CC(C)(C)C ZINC001480863468 1176066481 /nfs/dbraw/zinc/06/64/81/1176066481.db2.gz XOYLBLXCZYPFDQ-UHFFFAOYSA-N 1 2 349.519 2.123 10 30 EEEELO C=C1CC(C)(C(=O)NCC[N@@H+](C)CC(=O)Nc2ccc(C)cc2F)C1 ZINC001266323995 1176287858 /nfs/dbraw/zinc/28/78/58/1176287858.db2.gz RDDCLKVGNGQRSX-UHFFFAOYSA-N 1 2 347.434 2.477 10 30 EEEELO C=C1CC(C)(C(=O)NCC[N@H+](C)CC(=O)Nc2ccc(C)cc2F)C1 ZINC001266323995 1176287872 /nfs/dbraw/zinc/28/78/72/1176287872.db2.gz RDDCLKVGNGQRSX-UHFFFAOYSA-N 1 2 347.434 2.477 10 30 EEEELO C=C1CC(C)(C(=O)NC[C@@H]2CC[N@@H+]2C[C@@H](O)c2ccccc2F)C1 ZINC001670687662 1176999442 /nfs/dbraw/zinc/99/94/42/1176999442.db2.gz WRSVFGSGUPFRMU-WMLDXEAASA-N 1 2 332.419 2.406 10 30 EEEELO C=C1CC(C)(C(=O)NC[C@@H]2CC[N@H+]2C[C@@H](O)c2ccccc2F)C1 ZINC001670687662 1176999448 /nfs/dbraw/zinc/99/94/48/1176999448.db2.gz WRSVFGSGUPFRMU-WMLDXEAASA-N 1 2 332.419 2.406 10 30 EEEELO COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)c1ccccc1 ZINC001691071655 1177520276 /nfs/dbraw/zinc/52/02/76/1177520276.db2.gz MJOFQBUZZIMZGN-GOSISDBHSA-N 1 2 328.456 2.147 10 30 EEEELO COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)c1ccccc1 ZINC001691071655 1177520279 /nfs/dbraw/zinc/52/02/79/1177520279.db2.gz MJOFQBUZZIMZGN-GOSISDBHSA-N 1 2 328.456 2.147 10 30 EEEELO C=C[C@](C)(CC)C(=O)NC[C@@H]1CC[N@H+](Cc2nnc(C(C)C)[nH]2)C1 ZINC001691156716 1177654236 /nfs/dbraw/zinc/65/42/36/1177654236.db2.gz DWZGZTUBZBCKLW-KBXCAEBGSA-N 1 2 333.480 2.469 10 30 EEEELO C=C[C@](C)(CC)C(=O)NC[C@@H]1CC[N@@H+](Cc2nnc(C(C)C)[nH]2)C1 ZINC001691156716 1177654241 /nfs/dbraw/zinc/65/42/41/1177654241.db2.gz DWZGZTUBZBCKLW-KBXCAEBGSA-N 1 2 333.480 2.469 10 30 EEEELO C=CCC(C)(C)C(=O)N1CCC[C@@H](N(C)C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001744861956 1177798546 /nfs/dbraw/zinc/79/85/46/1177798546.db2.gz FMVIQLQOLUIRPV-MRXNPFEDSA-N 1 2 346.475 2.394 10 30 EEEELO C=CCC(C)(C)C(=O)N1CCC[C@@H](N(C)C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001744861956 1177798553 /nfs/dbraw/zinc/79/85/53/1177798553.db2.gz FMVIQLQOLUIRPV-MRXNPFEDSA-N 1 2 346.475 2.394 10 30 EEEELO C=CCC1(C(=O)N(C)C[C@H]2CC[N@@H+]2CC(=O)N(C)C2CC2)CCCC1 ZINC001691419612 1178031100 /nfs/dbraw/zinc/03/11/00/1178031100.db2.gz JQAYVGNKHCRJGR-QGZVFWFLSA-N 1 2 347.503 2.276 10 30 EEEELO C=CCC1(C(=O)N(C)C[C@H]2CC[N@H+]2CC(=O)N(C)C2CC2)CCCC1 ZINC001691419612 1178031108 /nfs/dbraw/zinc/03/11/08/1178031108.db2.gz JQAYVGNKHCRJGR-QGZVFWFLSA-N 1 2 347.503 2.276 10 30 EEEELO C=CCCC(=O)N1CCC([C@H]2CCCN2C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001687356613 1178390625 /nfs/dbraw/zinc/39/06/25/1178390625.db2.gz DTFWOZMQKBCONR-MRXNPFEDSA-N 1 2 344.459 2.148 10 30 EEEELO N#CCSCC(=O)N[C@@H]1C[N@H+](CCF)CC[C@@H]1c1ccccc1 ZINC001691928799 1178505196 /nfs/dbraw/zinc/50/51/96/1178505196.db2.gz MVRQSPPGBXSBQX-HZPDHXFCSA-N 1 2 335.448 2.187 10 30 EEEELO N#CCSCC(=O)N[C@@H]1C[N@@H+](CCF)CC[C@@H]1c1ccccc1 ZINC001691928799 1178505207 /nfs/dbraw/zinc/50/52/07/1178505207.db2.gz MVRQSPPGBXSBQX-HZPDHXFCSA-N 1 2 335.448 2.187 10 30 EEEELO CCC[N@H+](CCNC(=O)C#CC(C)(C)C)[C@H](C)c1nnc(CC)[nH]1 ZINC001267312575 1178738550 /nfs/dbraw/zinc/73/85/50/1178738550.db2.gz GIGJIVASNLZNOW-CQSZACIVSA-N 1 2 333.480 2.306 10 30 EEEELO CCC[N@@H+](CCNC(=O)C#CC(C)(C)C)[C@H](C)c1nnc(CC)[nH]1 ZINC001267312575 1178738553 /nfs/dbraw/zinc/73/85/53/1178738553.db2.gz GIGJIVASNLZNOW-CQSZACIVSA-N 1 2 333.480 2.306 10 30 EEEELO C=C[C@H](CC)CC(=O)NC[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001719728576 1178757916 /nfs/dbraw/zinc/75/79/16/1178757916.db2.gz DSUPIISPXXONKI-BZUAXINKSA-N 1 2 346.475 2.155 10 30 EEEELO C=C[C@H](CC)CC(=O)NC[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001719728576 1178757918 /nfs/dbraw/zinc/75/79/18/1178757918.db2.gz DSUPIISPXXONKI-BZUAXINKSA-N 1 2 346.475 2.155 10 30 EEEELO C#CCCCC(=O)N(CCC)[C@@H]1CC[N@H+](Cc2nccc(C)n2)C1 ZINC001267539336 1179309308 /nfs/dbraw/zinc/30/93/08/1179309308.db2.gz FTFUFRZQXAPJHZ-QGZVFWFLSA-N 1 2 328.460 2.401 10 30 EEEELO C#CCCCC(=O)N(CCC)[C@@H]1CC[N@@H+](Cc2nccc(C)n2)C1 ZINC001267539336 1179309312 /nfs/dbraw/zinc/30/93/12/1179309312.db2.gz FTFUFRZQXAPJHZ-QGZVFWFLSA-N 1 2 328.460 2.401 10 30 EEEELO C=C[C@](C)(O)CC(=O)N(CCC)[C@@H]1CC[N@H+](Cc2nc(C)oc2C)C1 ZINC001267540906 1179313231 /nfs/dbraw/zinc/31/32/31/1179313231.db2.gz QVLDIWAXARPFSR-APWZRJJASA-N 1 2 349.475 2.431 10 30 EEEELO C=C[C@](C)(O)CC(=O)N(CCC)[C@@H]1CC[N@@H+](Cc2nc(C)oc2C)C1 ZINC001267540906 1179313234 /nfs/dbraw/zinc/31/32/34/1179313234.db2.gz QVLDIWAXARPFSR-APWZRJJASA-N 1 2 349.475 2.431 10 30 EEEELO C=C(C)C(C)(C)C(=O)N(C)CCN1CC[NH+](Cc2ocnc2C)CC1 ZINC001267574342 1179474666 /nfs/dbraw/zinc/47/46/66/1179474666.db2.gz CWSQEVPFGYOACB-UHFFFAOYSA-N 1 2 348.491 2.161 10 30 EEEELO C=C(C)C(C)(C)C(=O)N(C)CC[NH+]1CCN(Cc2ocnc2C)CC1 ZINC001267574342 1179474669 /nfs/dbraw/zinc/47/46/69/1179474669.db2.gz CWSQEVPFGYOACB-UHFFFAOYSA-N 1 2 348.491 2.161 10 30 EEEELO CCC[N@H+](CCNC(=O)C#CC1CC1)Cc1c(C)nn(C)c1Cl ZINC001481135579 1179881432 /nfs/dbraw/zinc/88/14/32/1179881432.db2.gz SLRGWTQVJDKQBI-UHFFFAOYSA-N 1 2 336.867 2.124 10 30 EEEELO CCC[N@@H+](CCNC(=O)C#CC1CC1)Cc1c(C)nn(C)c1Cl ZINC001481135579 1179881443 /nfs/dbraw/zinc/88/14/43/1179881443.db2.gz SLRGWTQVJDKQBI-UHFFFAOYSA-N 1 2 336.867 2.124 10 30 EEEELO C#Cc1ccc(C(=O)NCC[N@@H+](CCC)Cc2cc(C)on2)nc1 ZINC001481152654 1179935028 /nfs/dbraw/zinc/93/50/28/1179935028.db2.gz WMESKEDDVSESIW-UHFFFAOYSA-N 1 2 326.400 2.001 10 30 EEEELO C#Cc1ccc(C(=O)NCC[N@H+](CCC)Cc2cc(C)on2)nc1 ZINC001481152654 1179935031 /nfs/dbraw/zinc/93/50/31/1179935031.db2.gz WMESKEDDVSESIW-UHFFFAOYSA-N 1 2 326.400 2.001 10 30 EEEELO C=C[C@@H](C(=O)N[C@@H]1CCC[N@@H+](Cc2ccn(C)n2)C1)c1ccccc1 ZINC001267622236 1179989986 /nfs/dbraw/zinc/98/99/86/1179989986.db2.gz RIPHKRLRDWAMJP-IEBWSBKVSA-N 1 2 338.455 2.471 10 30 EEEELO C=C[C@@H](C(=O)N[C@@H]1CCC[N@H+](Cc2ccn(C)n2)C1)c1ccccc1 ZINC001267622236 1179989991 /nfs/dbraw/zinc/98/99/91/1179989991.db2.gz RIPHKRLRDWAMJP-IEBWSBKVSA-N 1 2 338.455 2.471 10 30 EEEELO C=C[C@](C)(O)CC(=O)NCC1C[NH+](Cc2cccc(Cl)c2F)C1 ZINC001267679529 1180150687 /nfs/dbraw/zinc/15/06/87/1180150687.db2.gz QIGITXUMGOMKIR-KRWDZBQOSA-N 1 2 340.826 2.354 10 30 EEEELO C=CCCO[C@H](C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1c(C)noc1C ZINC001267704339 1180212561 /nfs/dbraw/zinc/21/25/61/1180212561.db2.gz NHNWPKZZCFUZKV-PMPSAXMXSA-N 1 2 333.432 2.058 10 30 EEEELO C=CCCO[C@H](C)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1c(C)noc1C ZINC001267704339 1180212566 /nfs/dbraw/zinc/21/25/66/1180212566.db2.gz NHNWPKZZCFUZKV-PMPSAXMXSA-N 1 2 333.432 2.058 10 30 EEEELO C=CCOCC[N@@H+]1CCO[C@@H](CNC(=O)CC2CCCCCC2)C1 ZINC001268027854 1181132206 /nfs/dbraw/zinc/13/22/06/1181132206.db2.gz ZQJDSWXDXOMEQD-SFHVURJKSA-N 1 2 338.492 2.367 10 30 EEEELO C=CCOCC[N@H+]1CCO[C@@H](CNC(=O)CC2CCCCCC2)C1 ZINC001268027854 1181132211 /nfs/dbraw/zinc/13/22/11/1181132211.db2.gz ZQJDSWXDXOMEQD-SFHVURJKSA-N 1 2 338.492 2.367 10 30 EEEELO CCCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(CC)CCC#N ZINC001481375718 1181156111 /nfs/dbraw/zinc/15/61/11/1181156111.db2.gz QSNHKVSMJIGSDY-CALCHBBNSA-N 1 2 348.491 2.004 10 30 EEEELO CCCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(CC)CCC#N ZINC001481375718 1181156114 /nfs/dbraw/zinc/15/61/14/1181156114.db2.gz QSNHKVSMJIGSDY-CALCHBBNSA-N 1 2 348.491 2.004 10 30 EEEELO C#CCCCC(=O)N1CCC2(C[NH+]([C@H](C)c3ncccn3)C2)CC1 ZINC001268043215 1181481492 /nfs/dbraw/zinc/48/14/92/1181481492.db2.gz FFPNXGGYIDKDIC-MRXNPFEDSA-N 1 2 326.444 2.266 10 30 EEEELO Cc1ccccc1[C@@H](C)CC(=O)N(C)CC[NH+]1CCN(CC#N)CC1 ZINC001481472843 1181500217 /nfs/dbraw/zinc/50/02/17/1181500217.db2.gz CNGUZPJBDMAVOG-SFHVURJKSA-N 1 2 342.487 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C=CCOCC[N@@H+](C)CC1CCN(C(=O)[C@H](F)C(F)(F)F)CC1 ZINC001317869612 1332436702 /nfs/dbraw/zinc/43/67/02/1332436702.db2.gz DWVBWLLJJGOLJT-ZDUSSCGKSA-N 1 2 340.361 2.260 10 30 EEEELO C=CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)c2ccc(C)c(Cl)c2)C1 ZINC001317981067 1332456842 /nfs/dbraw/zinc/45/68/42/1332456842.db2.gz FMTQLHXYVQHVRC-HNNXBMFYSA-N 1 2 349.862 2.145 10 30 EEEELO C=CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)c2ccc(C)c(Cl)c2)C1 ZINC001317981067 1332456847 /nfs/dbraw/zinc/45/68/47/1332456847.db2.gz FMTQLHXYVQHVRC-HNNXBMFYSA-N 1 2 349.862 2.145 10 30 EEEELO C=C(C)[C@H](CC(=O)NCC1C[NH+](Cc2nc(C)cs2)C1)OCC ZINC001318127898 1332476272 /nfs/dbraw/zinc/47/62/72/1332476272.db2.gz ZOWYOVOUTQGHOE-HNNXBMFYSA-N 1 2 337.489 2.371 10 30 EEEELO COc1ccnc(C[NH+]2CC(CNC(=O)CC#Cc3ccccc3)C2)c1 ZINC001318175915 1332482644 /nfs/dbraw/zinc/48/26/44/1332482644.db2.gz HGXDYJLSHUSNOO-UHFFFAOYSA-N 1 2 349.434 2.080 10 30 EEEELO CCCCCCCCCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H]1CCNC1=O ZINC001318223974 1332491779 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C=CC(C)(C)C(=O)N1CCCC[C@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001579028709 1344332052 /nfs/dbraw/zinc/33/20/52/1344332052.db2.gz RSNSQUZRLZBLDK-HNNXBMFYSA-N 1 2 332.448 2.052 10 30 EEEELO C=CC(C)(C)C(=O)N1CCCC[C@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001579028709 1344332056 /nfs/dbraw/zinc/33/20/56/1344332056.db2.gz RSNSQUZRLZBLDK-HNNXBMFYSA-N 1 2 332.448 2.052 10 30 EEEELO C=C(C)CCC(=O)NC[C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001580125025 1344476655 /nfs/dbraw/zinc/47/66/55/1344476655.db2.gz FRODXPVZLSCORC-HNNXBMFYSA-N 1 2 340.427 2.269 10 30 EEEELO C=C(C)C[C@H](C)C(=O)N(C)CC1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001581841388 1344676189 /nfs/dbraw/zinc/67/61/89/1344676189.db2.gz HDKYQYOZDVBCJW-HNNXBMFYSA-N 1 2 346.475 2.252 10 30 EEEELO C=C(C)C[C@@H](C)C(=O)N(C)CC1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001581841389 1344676498 /nfs/dbraw/zinc/67/64/98/1344676498.db2.gz HDKYQYOZDVBCJW-OAHLLOKOSA-N 1 2 346.475 2.252 10 30 EEEELO C=CC(C)(C)CC(=O)NCC[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001582879515 1344817573 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332.448 2.148 10 30 EEEELO C=CC(C)(C)C(=O)N[C@H](CNC(=O)CCn1cc[nH+]c1)C1CCCC1 ZINC001585759042 1348817569 /nfs/dbraw/zinc/81/75/69/1348817569.db2.gz VISDIFBPXRTPCU-MRXNPFEDSA-N 1 2 346.475 2.277 10 30 EEEELO C#CC[NH+]1CCN(c2nnc([C@@H](C)CC)n2C[C@H](C)SC)CC1 ZINC001588742269 1348931098 /nfs/dbraw/zinc/93/10/98/1348931098.db2.gz PQOCYIZCXJKSPZ-GJZGRUSLSA-N 1 2 335.521 2.298 10 30 EEEELO C#CC[N@H+]1CCCN(C(=O)c2cc(-c3cccc(F)c3)no2)CC1 ZINC001628350733 1352530838 /nfs/dbraw/zinc/53/08/38/1352530838.db2.gz KSMUJGQOFIIXSB-UHFFFAOYSA-N 1 2 327.359 2.262 10 30 EEEELO C#CC[N@@H+]1CCCN(C(=O)c2cc(-c3cccc(F)c3)no2)CC1 ZINC001628350733 1352530839 /nfs/dbraw/zinc/53/08/39/1352530839.db2.gz KSMUJGQOFIIXSB-UHFFFAOYSA-N 1 2 327.359 2.262 10 30 EEEELO C=CCOc1ccc(C(=O)N2CCc3cc[nH+]c(N)c3C2)cc1OC ZINC001635022815 1352638752 /nfs/dbraw/zinc/63/87/52/1352638752.db2.gz VYKRBSRMZRMOSD-UHFFFAOYSA-N 1 2 339.395 2.436 10 30 EEEELO C=CC(C)(C)NC(=O)NC[C@H]1CN(C)CC[N@@H+]1Cc1ccccc1 ZINC001637317787 1352676911 /nfs/dbraw/zinc/67/69/11/1352676911.db2.gz ACJYHHSHTOAZCA-KRWDZBQOSA-N 1 2 330.476 2.066 10 30 EEEELO C=CC(C)(C)NC(=O)NC[C@H]1CN(C)CC[N@H+]1Cc1ccccc1 ZINC001637317787 1352676920 /nfs/dbraw/zinc/67/69/20/1352676920.db2.gz ACJYHHSHTOAZCA-KRWDZBQOSA-N 1 2 330.476 2.066 10 30 EEEELO CCC#C[C@@H](C)[NH+]1CCN(CC(=O)N2CCCc3ccccc32)CC1 ZINC001642136971 1352728150 /nfs/dbraw/zinc/72/81/50/1352728150.db2.gz JNJDOOIWJVRMEY-GOSISDBHSA-N 1 2 339.483 2.385 10 30 EEEELO CCCCCCCCC[NH+]1CCN(S(=O)(=O)c2cc[nH]n2)CC1 ZINC001642705584 1352736145 /nfs/dbraw/zinc/73/61/45/1352736145.db2.gz NHGCTJXJQUGYKF-UHFFFAOYSA-N 1 2 342.509 2.467 10 30 EEEELO C#CCO[C@H](C)C(=O)N(CCC)C1CC[NH+](Cc2ncc(C)o2)CC1 ZINC001661087720 1354589333 /nfs/dbraw/zinc/58/93/33/1354589333.db2.gz XFUQCDWHTFEIIM-MRXNPFEDSA-N 1 2 347.459 2.224 10 30 EEEELO C=CC(C)(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2nc(C3CC3)no2)C1 ZINC001661734806 1354685308 /nfs/dbraw/zinc/68/53/08/1354685308.db2.gz TZFBJAIHWPNRNQ-ZDUSSCGKSA-N 1 2 332.448 2.487 10 30 EEEELO C=CC(C)(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2nc(C3CC3)no2)C1 ZINC001661734806 1354685311 /nfs/dbraw/zinc/68/53/11/1354685311.db2.gz TZFBJAIHWPNRNQ-ZDUSSCGKSA-N 1 2 332.448 2.487 10 30 EEEELO C=C1CC(C)(C(=O)NC[C@H]2CCCC[N@H+]2CC(=O)NCC(C)(C)C)C1 ZINC001661879913 1354716613 /nfs/dbraw/zinc/71/66/13/1354716613.db2.gz DATBBJBPNQTCCF-MRXNPFEDSA-N 1 2 349.519 2.476 10 30 EEEELO C=C1CC(C)(C(=O)NC[C@H]2CCCC[N@@H+]2CC(=O)NCC(C)(C)C)C1 ZINC001661879913 1354716618 /nfs/dbraw/zinc/71/66/18/1354716618.db2.gz DATBBJBPNQTCCF-MRXNPFEDSA-N 1 2 349.519 2.476 10 30 EEEELO C=C(Br)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)/C=C(\C)C1CC1 ZINC001662025043 1354743718 /nfs/dbraw/zinc/74/37/18/1354743718.db2.gz MWWFHSNJWPCPSF-RGSRRGKHSA-N 1 2 325.250 2.298 10 30 EEEELO C=C(Br)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)/C=C(\C)C1CC1 ZINC001662025043 1354743717 /nfs/dbraw/zinc/74/37/17/1354743717.db2.gz MWWFHSNJWPCPSF-RGSRRGKHSA-N 1 2 325.250 2.298 10 30 EEEELO C=C[C@](C)(O)CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccccc1Cl ZINC001665387448 1355296867 /nfs/dbraw/zinc/29/68/67/1355296867.db2.gz RPZQJXCKGHDBGF-MPGHIAIKSA-N 1 2 334.847 2.452 10 30 EEEELO C=C[C@](C)(O)CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccccc1Cl ZINC001665387448 1355296871 /nfs/dbraw/zinc/29/68/71/1355296871.db2.gz RPZQJXCKGHDBGF-MPGHIAIKSA-N 1 2 334.847 2.452 10 30 EEEELO C=C(Br)C[N@H+]1CC[C@@H](N(C)C(=O)/C=C\c2ccc[nH]2)C1 ZINC001665627425 1355338364 /nfs/dbraw/zinc/33/83/64/1355338364.db2.gz RBCWVDZOJDUWMX-GEXIGZQTSA-N 1 2 338.249 2.469 10 30 EEEELO C=C(Br)C[N@@H+]1CC[C@@H](N(C)C(=O)/C=C\c2ccc[nH]2)C1 ZINC001665627425 1355338369 /nfs/dbraw/zinc/33/83/69/1355338369.db2.gz RBCWVDZOJDUWMX-GEXIGZQTSA-N 1 2 338.249 2.469 10 30 EEEELO C=CC(C)(C)C(=O)N(C)[C@@H]1CC[N@H+](CC(=O)Nc2ccc(O)cc2)C1 ZINC001665653136 1355350101 /nfs/dbraw/zinc/35/01/01/1355350101.db2.gz OFCBNWNZIICFKI-OAHLLOKOSA-N 1 2 345.443 2.076 10 30 EEEELO C=CC(C)(C)C(=O)N(C)[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(O)cc2)C1 ZINC001665653136 1355350105 /nfs/dbraw/zinc/35/01/05/1355350105.db2.gz OFCBNWNZIICFKI-OAHLLOKOSA-N 1 2 345.443 2.076 10 30 EEEELO C=CCCO[C@H](C)C(=O)N(CC)[C@H]1CC[N@H+](Cc2cc(C)n(C)n2)C1 ZINC001665703684 1355367039 /nfs/dbraw/zinc/36/70/39/1355367039.db2.gz PHASTQLQJNWVOZ-AEFFLSMTSA-N 1 2 348.491 2.133 10 30 EEEELO C=CCCO[C@H](C)C(=O)N(CC)[C@H]1CC[N@@H+](Cc2cc(C)n(C)n2)C1 ZINC001665703684 1355367045 /nfs/dbraw/zinc/36/70/45/1355367045.db2.gz PHASTQLQJNWVOZ-AEFFLSMTSA-N 1 2 348.491 2.133 10 30 EEEELO C#CCC1(C(=O)N(C)[C@H](C)C[NH2+]Cc2nnc(C)o2)CCCCC1 ZINC001667064319 1355642937 /nfs/dbraw/zinc/64/29/37/1355642937.db2.gz XCGSWEUJYHXUFX-CQSZACIVSA-N 1 2 332.448 2.288 10 30 EEEELO C=CC(C)(C)C(=O)N(C)CC[N@H+](C)Cc1cnnn1-c1ccccc1 ZINC001667607564 1355768472 /nfs/dbraw/zinc/76/84/72/1355768472.db2.gz GZYPSAXUUMFNFT-UHFFFAOYSA-N 1 2 341.459 2.370 10 30 EEEELO C=CC(C)(C)C(=O)N(C)CC[N@@H+](C)Cc1cnnn1-c1ccccc1 ZINC001667607564 1355768483 /nfs/dbraw/zinc/76/84/83/1355768483.db2.gz GZYPSAXUUMFNFT-UHFFFAOYSA-N 1 2 341.459 2.370 10 30 EEEELO O=C(NCC=CC[NH2+]CC#Cc1ccccc1)c1n[nH]c2ccccc21 ZINC001669167490 1356114311 /nfs/dbraw/zinc/11/43/11/1356114311.db2.gz NPGDPXGTTWHBFX-SREVYHEPSA-N 1 2 344.418 2.490 10 30 EEEELO C[C@H](C[N@H+](C)Cc1nsc2ccccc12)NC(=O)CSCC#N ZINC001669776462 1356206430 /nfs/dbraw/zinc/20/64/30/1356206430.db2.gz FADLXYIVZDBSGV-GFCCVEGCSA-N 1 2 348.497 2.490 10 30 EEEELO C[C@H](C[N@@H+](C)Cc1nsc2ccccc12)NC(=O)CSCC#N ZINC001669776462 1356206435 /nfs/dbraw/zinc/20/64/35/1356206435.db2.gz FADLXYIVZDBSGV-GFCCVEGCSA-N 1 2 348.497 2.490 10 30 EEEELO CC(C)C#CC(=O)N[C@H](C)C[N@H+](C)Cc1ccn(CC(F)(F)F)n1 ZINC001669806497 1356213573 /nfs/dbraw/zinc/21/35/73/1356213573.db2.gz OBINOFNKEGTJIT-CYBMUJFWSA-N 1 2 344.381 2.041 10 30 EEEELO CC(C)C#CC(=O)N[C@H](C)C[N@@H+](C)Cc1ccn(CC(F)(F)F)n1 ZINC001669806497 1356213578 /nfs/dbraw/zinc/21/35/78/1356213578.db2.gz OBINOFNKEGTJIT-CYBMUJFWSA-N 1 2 344.381 2.041 10 30 EEEELO C#CCN(C(=O)C#CC(C)C)C1CC[NH+]([C@H](C)c2ncccn2)CC1 ZINC001671474607 1356346329 /nfs/dbraw/zinc/34/63/29/1356346329.db2.gz XTLKTEWNSGXTNO-QGZVFWFLSA-N 1 2 338.455 2.123 10 30 EEEELO C=C1CC(C)(C(=O)N[C@H](C[NH2+]Cc2nnc(C)o2)C2CCCC2)C1 ZINC001671554239 1356361451 /nfs/dbraw/zinc/36/14/51/1356361451.db2.gz MIDYYPLLTYDDCP-OAHLLOKOSA-N 1 2 332.448 2.499 10 30 EEEELO C#Cc1cccc(NC(=O)C[N@H+]2CC[C@@](C)(NC(=O)CCC=C)C2)c1 ZINC001671619760 1356374552 /nfs/dbraw/zinc/37/45/52/1356374552.db2.gz GMXZEOCGHSFYLX-HXUWFJFHSA-N 1 2 339.439 2.153 10 30 EEEELO C#Cc1cccc(NC(=O)C[N@@H+]2CC[C@@](C)(NC(=O)CCC=C)C2)c1 ZINC001671619760 1356374556 /nfs/dbraw/zinc/37/45/56/1356374556.db2.gz GMXZEOCGHSFYLX-HXUWFJFHSA-N 1 2 339.439 2.153 10 30 EEEELO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@]1(C)CCC[N@H+](Cc2cscn2)C1 ZINC001671908041 1356436470 /nfs/dbraw/zinc/43/64/70/1356436470.db2.gz OGNCOFAWVQHUSQ-RYRKJORJSA-N 1 2 349.500 2.453 10 30 EEEELO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@]1(C)CCC[N@@H+](Cc2cscn2)C1 ZINC001671908041 1356436472 /nfs/dbraw/zinc/43/64/72/1356436472.db2.gz OGNCOFAWVQHUSQ-RYRKJORJSA-N 1 2 349.500 2.453 10 30 EEEELO CCCCCCCCC(=O)N1C[C@@H]2C[N@@H+](Cc3nncn3C)C[C@@H]2C1 ZINC001672442510 1356523883 /nfs/dbraw/zinc/52/38/83/1356523883.db2.gz IXVPXWCIGCZSMO-CALCHBBNSA-N 1 2 347.507 2.456 10 30 EEEELO CCCCCCCCC(=O)N1C[C@@H]2C[N@H+](Cc3nncn3C)C[C@@H]2C1 ZINC001672442510 1356523885 /nfs/dbraw/zinc/52/38/85/1356523885.db2.gz IXVPXWCIGCZSMO-CALCHBBNSA-N 1 2 347.507 2.456 10 30 EEEELO C=CCOCCCC(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2Cc1ccon1 ZINC001672516201 1356542593 /nfs/dbraw/zinc/54/25/93/1356542593.db2.gz SXSLQVBOHHNEDF-SJORKVTESA-N 1 2 333.432 2.223 10 30 EEEELO C=CCOCCCC(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2Cc1ccon1 ZINC001672516201 1356542595 /nfs/dbraw/zinc/54/25/95/1356542595.db2.gz SXSLQVBOHHNEDF-SJORKVTESA-N 1 2 333.432 2.223 10 30 EEEELO C#CCC[N@H+]1CCOC[C@@H]1CNC(=O)C[C@@H]1CCc2ccccc2C1 ZINC001673071011 1356642564 /nfs/dbraw/zinc/64/25/64/1356642564.db2.gz RFNNWSYZHIWZHV-XLIONFOSSA-N 1 2 340.467 2.022 10 30 EEEELO C#CCC[N@@H+]1CCOC[C@@H]1CNC(=O)C[C@@H]1CCc2ccccc2C1 ZINC001673071011 1356642565 /nfs/dbraw/zinc/64/25/65/1356642565.db2.gz RFNNWSYZHIWZHV-XLIONFOSSA-N 1 2 340.467 2.022 10 30 EEEELO CCn1cc(C[N@@H+]2CC[C@@H](NC(=O)C#CC(C)(C)C)C(C)(C)C2)nn1 ZINC001674017971 1356774366 /nfs/dbraw/zinc/77/43/66/1356774366.db2.gz ICIYSVDHQWDGSD-MRXNPFEDSA-N 1 2 345.491 2.064 10 30 EEEELO CCn1cc(C[N@H+]2CC[C@@H](NC(=O)C#CC(C)(C)C)C(C)(C)C2)nn1 ZINC001674017971 1356774370 /nfs/dbraw/zinc/77/43/70/1356774370.db2.gz ICIYSVDHQWDGSD-MRXNPFEDSA-N 1 2 345.491 2.064 10 30 EEEELO C#Cc1ccccc1CC(=O)NC[C@H](C)[N@@H+](C)Cc1ccn(CC)n1 ZINC001675035524 1356926942 /nfs/dbraw/zinc/92/69/42/1356926942.db2.gz DFKVLXSDJUPJTD-INIZCTEOSA-N 1 2 338.455 2.064 10 30 EEEELO C#Cc1ccccc1CC(=O)NC[C@H](C)[N@H+](C)Cc1ccn(CC)n1 ZINC001675035524 1356926943 /nfs/dbraw/zinc/92/69/43/1356926943.db2.gz DFKVLXSDJUPJTD-INIZCTEOSA-N 1 2 338.455 2.064 10 30 EEEELO CC#CCCCC(=O)N[C@H]1C[N@@H+](Cc2cncc(OC)n2)CC1(C)C ZINC001675468271 1356989688 /nfs/dbraw/zinc/98/96/88/1356989688.db2.gz 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C=CCNC(=O)[C@H]1CCCN1c1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000065410678 462767831 /nfs/dbraw/zinc/76/78/31/462767831.db2.gz PJXFVPVNCQHHLG-MRXNPFEDSA-N 1 2 348.410 2.087 10 30 EEEELO CC(C)Cn1cc[nH+]c1CNC(=O)[C@@H](C)Oc1ccc(C#N)cc1 ZINC000131434920 462811351 /nfs/dbraw/zinc/81/13/51/462811351.db2.gz WXWYRFXEVGNKQU-CQSZACIVSA-N 1 2 326.400 2.494 10 30 EEEELO C#CCC(CC#C)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000278284464 463961772 /nfs/dbraw/zinc/96/17/72/463961772.db2.gz GLJBKVGOJXKJFJ-MSOLQXFVSA-N 1 2 330.378 2.489 10 30 EEEELO C#CCC(CC#C)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000278284464 463961777 /nfs/dbraw/zinc/96/17/77/463961777.db2.gz GLJBKVGOJXKJFJ-MSOLQXFVSA-N 1 2 330.378 2.489 10 30 EEEELO C=C(C)CS(=O)(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000189781186 464549550 /nfs/dbraw/zinc/54/95/50/464549550.db2.gz PQDJOUVWLONDLR-LSDHHAIUSA-N 1 2 330.400 2.206 10 30 EEEELO C=C(C)CS(=O)(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000189781186 464549555 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ZINC000361997582 466471217 /nfs/dbraw/zinc/47/12/17/466471217.db2.gz YNHGTYVEBWJPOF-MJGOQNOKSA-N 1 2 344.455 2.355 10 30 EEEELO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCO[C@H](COc2ccccc2)C1 ZINC000361997582 466471223 /nfs/dbraw/zinc/47/12/23/466471223.db2.gz YNHGTYVEBWJPOF-MJGOQNOKSA-N 1 2 344.455 2.355 10 30 EEEELO CN(CCCn1cc[nH+]c1)C(=O)C1(c2cc(F)cc(C#N)c2)CC1 ZINC000354359683 466504690 /nfs/dbraw/zinc/50/46/90/466504690.db2.gz SDTPOWHVYWHIKC-UHFFFAOYSA-N 1 2 326.375 2.474 10 30 EEEELO C=CCOc1cc(OC)ccc1C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000358193193 466529517 /nfs/dbraw/zinc/52/95/17/466529517.db2.gz QGFFTQLISKHPSA-LBPRGKRZSA-N 1 2 327.384 2.270 10 30 EEEELO C=CCOc1cc(OC)ccc1C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000358193193 466529526 /nfs/dbraw/zinc/52/95/26/466529526.db2.gz QGFFTQLISKHPSA-LBPRGKRZSA-N 1 2 327.384 2.270 10 30 EEEELO C=CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000375929660 466882757 /nfs/dbraw/zinc/88/27/57/466882757.db2.gz XCGKAGCEOXSSBL-SFHVURJKSA-N 1 2 345.468 2.115 10 30 EEEELO C=CCSc1ccccc1NC(=O)C[N@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000375929660 466882758 /nfs/dbraw/zinc/88/27/58/466882758.db2.gz XCGKAGCEOXSSBL-SFHVURJKSA-N 1 2 345.468 2.115 10 30 EEEELO C=CCOCCNC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000376645280 466924311 /nfs/dbraw/zinc/92/43/11/466924311.db2.gz UGZHONMOLUKDFA-OAHLLOKOSA-N 1 2 332.448 2.311 10 30 EEEELO CC(C)(C)N1CC[C@H]([NH+]2CCN(Cc3ccc(C#N)cc3)CC2)C1=O ZINC000425381362 467092383 /nfs/dbraw/zinc/09/23/83/467092383.db2.gz FTPRVTZIHUVZPI-SFHVURJKSA-N 1 2 340.471 2.075 10 30 EEEELO CC(C)(C)N1CC[C@H](N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1=O ZINC000425381362 467092388 /nfs/dbraw/zinc/09/23/88/467092388.db2.gz FTPRVTZIHUVZPI-SFHVURJKSA-N 1 2 340.471 2.075 10 30 EEEELO C[N@H+](CCC#N)C[C@H](O)CSc1nnc(Nc2ccccc2)s1 ZINC000414103543 467377905 /nfs/dbraw/zinc/37/79/05/467377905.db2.gz XEFGLTGTGZLJJH-ZDUSSCGKSA-N 1 2 349.485 2.580 10 30 EEEELO C[N@@H+](CCC#N)C[C@H](O)CSc1nnc(Nc2ccccc2)s1 ZINC000414103543 467377908 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339.439 2.088 10 30 EEEELO N#CCCCCC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000597931487 468714867 /nfs/dbraw/zinc/71/48/67/468714867.db2.gz APHNZWUAAKVLHH-MSOLQXFVSA-N 1 2 327.428 2.182 10 30 EEEELO N#CCCCCC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000597931487 468714870 /nfs/dbraw/zinc/71/48/70/468714870.db2.gz APHNZWUAAKVLHH-MSOLQXFVSA-N 1 2 327.428 2.182 10 30 EEEELO Cc1cc[nH+]cc1N1CCN(C(=O)NCC2(C#N)CCCC2)CC1 ZINC000593430936 468975696 /nfs/dbraw/zinc/97/56/96/468975696.db2.gz FDMAPNMXJJYMJP-UHFFFAOYSA-N 1 2 327.432 2.306 10 30 EEEELO C=C(C)C[C@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)C(=O)OC ZINC000601776544 469018058 /nfs/dbraw/zinc/01/80/58/469018058.db2.gz BRGFZPBEEZYJNJ-INIZCTEOSA-N 1 2 327.384 2.169 10 30 EEEELO COc1cc2ccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)cc2cc1OC ZINC000598836168 469018971 /nfs/dbraw/zinc/01/89/71/469018971.db2.gz BUILMZZNKOGXHA-LJQANCHMSA-N 1 2 341.411 2.431 10 30 EEEELO CN1c2ccccc2C[N@H+](CCC(=O)Nc2ccccc2C#N)CC1=O ZINC000598947023 469062832 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C#CCCCCC(=O)N[C@]12CCC[C@@H]1[N@@H+]([C@@H](C)c1nncn1C)CC2 ZINC001278444178 1310292842 /nfs/dbraw/zinc/29/28/42/1310292842.db2.gz AIAXCHICUYPOPO-BXWFABGCSA-N 1 2 343.475 2.183 10 30 EEEELO C=C1CCC(C(=O)N(C)C[C@@H](O)C[N@@H+](C)Cc2ncc(CC)o2)CC1 ZINC001278874386 1318481418 /nfs/dbraw/zinc/48/14/18/1318481418.db2.gz YFGOHVHKZWHWAA-INIZCTEOSA-N 1 2 349.475 2.235 10 30 EEEELO C=C1CCC(C(=O)N(C)C[C@@H](O)C[N@H+](C)Cc2ncc(CC)o2)CC1 ZINC001278874386 1318481421 /nfs/dbraw/zinc/48/14/21/1318481421.db2.gz YFGOHVHKZWHWAA-INIZCTEOSA-N 1 2 349.475 2.235 10 30 EEEELO C=CCC1(C(=O)N2CC[C@](C)(NC(=O)Cc3c[nH]c[nH+]3)C2)CCCC1 ZINC001299578922 1319547340 /nfs/dbraw/zinc/54/73/40/1319547340.db2.gz TYPKRBCOMXWZEN-SFHVURJKSA-N 1 2 344.459 2.196 10 30 EEEELO C=CCO[C@H]1CCN(c2nnc([C@@H](CC(C)C)n3cc[nH+]c3)n2C)C1 ZINC001262870345 1322387463 /nfs/dbraw/zinc/38/74/63/1322387463.db2.gz IGHSXBHVUTUIEG-JKSUJKDBSA-N 1 2 344.463 2.428 10 30 EEEELO C=CCn1c(N2CCCCCCC2)nnc1[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC001262988178 1322416601 /nfs/dbraw/zinc/41/66/01/1322416601.db2.gz MVNRPJCUSPOJQE-CRAIPNDOSA-N 1 2 333.480 2.146 10 30 EEEELO C=CCn1c(N2CCCCCCC2)nnc1[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001262988178 1322416607 /nfs/dbraw/zinc/41/66/07/1322416607.db2.gz MVNRPJCUSPOJQE-CRAIPNDOSA-N 1 2 333.480 2.146 10 30 EEEELO C=CC[C@@H](C(=O)N(C)C[C@H]1CC[N@H+]1CC(=O)NCC)c1ccccc1 ZINC001263821182 1322527185 /nfs/dbraw/zinc/52/71/85/1322527185.db2.gz NTLYZTVYMSSGMZ-QZTJIDSGSA-N 1 2 343.471 2.015 10 30 EEEELO C=CC[C@@H](C(=O)N(C)C[C@H]1CC[N@@H+]1CC(=O)NCC)c1ccccc1 ZINC001263821182 1322527188 /nfs/dbraw/zinc/52/71/88/1322527188.db2.gz NTLYZTVYMSSGMZ-QZTJIDSGSA-N 1 2 343.471 2.015 10 30 EEEELO Cc1ccnc(C[N@H+]2CC[C@H](NC(=O)CC#Cc3ccccc3)[C@H]2C)n1 ZINC001264175526 1322647867 /nfs/dbraw/zinc/64/78/67/1322647867.db2.gz NKHMMPLNFQFCLR-MJGOQNOKSA-N 1 2 348.450 2.306 10 30 EEEELO Cc1ccnc(C[N@@H+]2CC[C@H](NC(=O)CC#Cc3ccccc3)[C@H]2C)n1 ZINC001264175526 1322647870 /nfs/dbraw/zinc/64/78/70/1322647870.db2.gz NKHMMPLNFQFCLR-MJGOQNOKSA-N 1 2 348.450 2.306 10 30 EEEELO C=C(C)C(C)(C)C(=O)N(C)C[C@H]1CC[N@H+]1CC(=O)NC(C)(C)CC ZINC001264366496 1322674544 /nfs/dbraw/zinc/67/45/44/1322674544.db2.gz FUUOEGVIODZGEN-OAHLLOKOSA-N 1 2 337.508 2.426 10 30 EEEELO C=C(C)C(C)(C)C(=O)N(C)C[C@H]1CC[N@@H+]1CC(=O)NC(C)(C)CC ZINC001264366496 1322674549 /nfs/dbraw/zinc/67/45/49/1322674549.db2.gz FUUOEGVIODZGEN-OAHLLOKOSA-N 1 2 337.508 2.426 10 30 EEEELO C=C1CC(C)(C(=O)N(C)C[C@@H]2CC[N@H+]2CC(=O)NC(C)(C)CC)C1 ZINC001264371599 1322678263 /nfs/dbraw/zinc/67/82/63/1322678263.db2.gz XHFYRGSXVNZZDR-HNNXBMFYSA-N 1 2 335.492 2.180 10 30 EEEELO C=C1CC(C)(C(=O)N(C)C[C@@H]2CC[N@@H+]2CC(=O)NC(C)(C)CC)C1 ZINC001264371599 1322678267 /nfs/dbraw/zinc/67/82/67/1322678267.db2.gz XHFYRGSXVNZZDR-HNNXBMFYSA-N 1 2 335.492 2.180 10 30 EEEELO CC(C)c1cnc(C[N@H+](C)CCCNC(=O)c2cc(C#N)c[nH]2)o1 ZINC001264973937 1322823728 /nfs/dbraw/zinc/82/37/28/1322823728.db2.gz LSLDAZLKCODVMV-UHFFFAOYSA-N 1 2 329.404 2.250 10 30 EEEELO CC(C)c1cnc(C[N@@H+](C)CCCNC(=O)c2cc(C#N)c[nH]2)o1 ZINC001264973937 1322823732 /nfs/dbraw/zinc/82/37/32/1322823732.db2.gz LSLDAZLKCODVMV-UHFFFAOYSA-N 1 2 329.404 2.250 10 30 EEEELO CO[C@@H](C)C(=O)N[C@@H]1CCC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001265205010 1322982635 /nfs/dbraw/zinc/98/26/35/1322982635.db2.gz AZGYWOIGFSYHJR-WMLDXEAASA-N 1 2 334.847 2.307 10 30 EEEELO CO[C@@H](C)C(=O)N[C@@H]1CCC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001265205010 1322982636 /nfs/dbraw/zinc/98/26/36/1322982636.db2.gz AZGYWOIGFSYHJR-WMLDXEAASA-N 1 2 334.847 2.307 10 30 EEEELO C=C(C)CCC(=O)N[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NCc2cccs2)C1 ZINC001265285923 1323037801 /nfs/dbraw/zinc/03/78/01/1323037801.db2.gz KFCBSBLOAPUTBP-LSDHHAIUSA-N 1 2 349.500 2.300 10 30 EEEELO C=C(C)CCC(=O)N[C@@H]1CC[N@H+]([C@@H](C)C(=O)NCc2cccs2)C1 ZINC001265285923 1323037806 /nfs/dbraw/zinc/03/78/06/1323037806.db2.gz KFCBSBLOAPUTBP-LSDHHAIUSA-N 1 2 349.500 2.300 10 30 EEEELO C=C[C@@](C)(CCOC)C(=O)N[C@@H]1CC[N@H+](Cc2cncc(F)c2)C1 ZINC001265295366 1323045816 /nfs/dbraw/zinc/04/58/16/1323045816.db2.gz VMKITQQFWMIMNR-AEFFLSMTSA-N 1 2 335.423 2.140 10 30 EEEELO C=C[C@@](C)(CCOC)C(=O)N[C@@H]1CC[N@@H+](Cc2cncc(F)c2)C1 ZINC001265295366 1323045824 /nfs/dbraw/zinc/04/58/24/1323045824.db2.gz VMKITQQFWMIMNR-AEFFLSMTSA-N 1 2 335.423 2.140 10 30 EEEELO C=CC[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccn(C)n2)C1)c1ccccc1 ZINC001265317593 1323065568 /nfs/dbraw/zinc/06/55/68/1323065568.db2.gz SGCJHDKZTNAVHG-HKUYNNGSSA-N 1 2 338.455 2.471 10 30 EEEELO C=CC[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccn(C)n2)C1)c1ccccc1 ZINC001265317593 1323065576 /nfs/dbraw/zinc/06/55/76/1323065576.db2.gz SGCJHDKZTNAVHG-HKUYNNGSSA-N 1 2 338.455 2.471 10 30 EEEELO CCCc1noc(C[NH2+][C@@H](CNC(=O)C#CC(C)(C)C)C2CC2)n1 ZINC001265354230 1323094140 /nfs/dbraw/zinc/09/41/40/1323094140.db2.gz NXNRWXHODHPKNI-AWEZNQCLSA-N 1 2 332.448 2.056 10 30 EEEELO C#CCCCC(=O)N[C@@H](C)[C@H]1CCC[N@H+](Cc2nnc(C3CC3)[nH]2)C1 ZINC001265702273 1323336535 /nfs/dbraw/zinc/33/65/35/1323336535.db2.gz BHGYKTWVVOZPOM-HOCLYGCPSA-N 1 2 343.475 2.202 10 30 EEEELO C#CCCCC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](Cc2nnc(C3CC3)[nH]2)C1 ZINC001265702273 1323336543 /nfs/dbraw/zinc/33/65/43/1323336543.db2.gz BHGYKTWVVOZPOM-HOCLYGCPSA-N 1 2 343.475 2.202 10 30 EEEELO C=C(Br)C[N@H+](C)CCCNC(=O)c1c(F)cncc1F ZINC001265855130 1323429655 /nfs/dbraw/zinc/42/96/55/1323429655.db2.gz DOUSFWUCZBSNHF-UHFFFAOYSA-N 1 2 348.191 2.320 10 30 EEEELO C=C(Br)C[N@@H+](C)CCCNC(=O)c1c(F)cncc1F ZINC001265855130 1323429660 /nfs/dbraw/zinc/42/96/60/1323429660.db2.gz DOUSFWUCZBSNHF-UHFFFAOYSA-N 1 2 348.191 2.320 10 30 EEEELO C=CC[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc1cnsn1)c1ccccc1 ZINC001265867497 1323441343 /nfs/dbraw/zinc/44/13/43/1323441343.db2.gz RWMFZZWFGOSBTH-CZUORRHYSA-N 1 2 330.457 2.492 10 30 EEEELO C=C1CCC(C(=O)N[C@@H]2CCC[N@@H+](CC(=O)N[C@H](C)C3CC3)C2)CC1 ZINC001266237052 1323820638 /nfs/dbraw/zinc/82/06/38/1323820638.db2.gz PXZAJIKJZVYIIV-CRAIPNDOSA-N 1 2 347.503 2.228 10 30 EEEELO C=C1CCC(C(=O)N[C@@H]2CCC[N@H+](CC(=O)N[C@H](C)C3CC3)C2)CC1 ZINC001266237052 1323820648 /nfs/dbraw/zinc/82/06/48/1323820648.db2.gz PXZAJIKJZVYIIV-CRAIPNDOSA-N 1 2 347.503 2.228 10 30 EEEELO C=CC(C)(C)CC(=O)N1CC([C@@H](C)NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001280633076 1324358453 /nfs/dbraw/zinc/35/84/53/1324358453.db2.gz IKZLLQKFJKYDTE-UONOGXRCSA-N 1 2 346.475 2.154 10 30 EEEELO C=CC(C)(C)CC(=O)N1CC([C@@H](C)NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001280633076 1324358457 /nfs/dbraw/zinc/35/84/57/1324358457.db2.gz IKZLLQKFJKYDTE-UONOGXRCSA-N 1 2 346.475 2.154 10 30 EEEELO C=C(C)C(C)(C)C(=O)N1CC([C@@H](C)NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001280636068 1324362203 /nfs/dbraw/zinc/36/22/03/1324362203.db2.gz YJZVJUQBUQRUBL-HUUCEWRRSA-N 1 2 346.475 2.400 10 30 EEEELO C=C[C@](C)(CC)C(=O)N[C@H]1CCC[N@H+](Cc2nnnn2C2CC2)CC1 ZINC001280756686 1324483749 /nfs/dbraw/zinc/48/37/49/1324483749.db2.gz LSKKDUAQCNAYIY-KBXCAEBGSA-N 1 2 346.479 2.081 10 30 EEEELO C=C[C@](C)(CC)C(=O)N[C@H]1CCC[N@@H+](Cc2nnnn2C2CC2)CC1 ZINC001280756686 1324483752 /nfs/dbraw/zinc/48/37/52/1324483752.db2.gz LSKKDUAQCNAYIY-KBXCAEBGSA-N 1 2 346.479 2.081 10 30 EEEELO C=C(C)CCC(=O)N[C@H]1C[C@H](CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001280762274 1324489282 /nfs/dbraw/zinc/48/92/82/1324489282.db2.gz QEXGVUNLTDEIPC-KKUMJFAQSA-N 1 2 344.459 2.197 10 30 EEEELO C=CC1(CC(=O)N2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)CCCCC1 ZINC001294825266 1329158402 /nfs/dbraw/zinc/15/84/02/1329158402.db2.gz NVAIOGIGPAYIFT-HNNXBMFYSA-N 1 2 344.459 2.196 10 30 EEEELO C=CCCC(=O)N(C)CCN(C(=O)[C@H]1CCn2c[nH+]cc2C1)C(C)C ZINC001281290866 1324938853 /nfs/dbraw/zinc/93/88/53/1324938853.db2.gz CBJRGUKLECKPBL-INIZCTEOSA-N 1 2 346.475 2.107 10 30 EEEELO C=CC(C)(C)CC(=O)N[C@@H]1CC[N@@H+](Cc2cn(C)nn2)CC1(C)C ZINC001281554819 1325268721 /nfs/dbraw/zinc/26/87/21/1325268721.db2.gz CQSMQXUANKWIMX-OAHLLOKOSA-N 1 2 333.480 2.134 10 30 EEEELO C=CC(C)(C)CC(=O)N[C@@H]1CC[N@H+](Cc2cn(C)nn2)CC1(C)C ZINC001281554819 1325268732 /nfs/dbraw/zinc/26/87/32/1325268732.db2.gz CQSMQXUANKWIMX-OAHLLOKOSA-N 1 2 333.480 2.134 10 30 EEEELO C=CCCC(=O)N[C@H]1CC[N@@H+](Cc2nnc(C)n2CCC)[C@@H](C)C1 ZINC001281651343 1325372202 /nfs/dbraw/zinc/37/22/02/1325372202.db2.gz IQOMDNKRLKVDIZ-HOCLYGCPSA-N 1 2 333.480 2.432 10 30 EEEELO C=CCCC(=O)N[C@H]1CC[N@H+](Cc2nnc(C)n2CCC)[C@@H](C)C1 ZINC001281651343 1325372210 /nfs/dbraw/zinc/37/22/10/1325372210.db2.gz IQOMDNKRLKVDIZ-HOCLYGCPSA-N 1 2 333.480 2.432 10 30 EEEELO C=CCCC(=O)N[C@@H]1CC[N@H+](Cc2nnc3n2CCCCC3)[C@H](C)C1 ZINC001281653174 1325372784 /nfs/dbraw/zinc/37/27/84/1325372784.db2.gz RJVSEAINULMUAE-HZPDHXFCSA-N 1 2 345.491 2.440 10 30 EEEELO C=CCCC(=O)N[C@@H]1CC[N@@H+](Cc2nnc3n2CCCCC3)[C@H](C)C1 ZINC001281653174 1325372791 /nfs/dbraw/zinc/37/27/91/1325372791.db2.gz RJVSEAINULMUAE-HZPDHXFCSA-N 1 2 345.491 2.440 10 30 EEEELO C=C(C)C(C)(C)C(=O)N[C@H]1CC[N@@H+](Cc2cnn(CC)n2)[C@H](C)C1 ZINC001281669282 1325385481 /nfs/dbraw/zinc/38/54/81/1325385481.db2.gz 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C=CCCC(=O)N1CC[C@H](C[N@H+](C)Cc2nnc(C(C)(C)C)[nH]2)C1 ZINC001317831376 1332423517 /nfs/dbraw/zinc/42/35/17/1332423517.db2.gz QWHRNAMZHAIBDL-CQSZACIVSA-N 1 2 333.480 2.349 10 30 EEEELO CC(C)(C)C#CC(=O)N[C@@H]1CCC[N@H+](CC(=O)NC2CCCCC2)C1 ZINC001317931443 1332445625 /nfs/dbraw/zinc/44/56/25/1332445625.db2.gz PENINGTXFSWOMR-QGZVFWFLSA-N 1 2 347.503 2.065 10 30 EEEELO CC(C)(C)C#CC(=O)N[C@@H]1CCC[N@@H+](CC(=O)NC2CCCCC2)C1 ZINC001317931443 1332445630 /nfs/dbraw/zinc/44/56/30/1332445630.db2.gz PENINGTXFSWOMR-QGZVFWFLSA-N 1 2 347.503 2.065 10 30 EEEELO CCC(CC)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)C#CC(C)(C)C)C1 ZINC001317932320 1332446126 /nfs/dbraw/zinc/44/61/26/1332446126.db2.gz YUVNQPCEHMDRDW-NVXWUHKLSA-N 1 2 349.519 2.310 10 30 EEEELO CCC(CC)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)C#CC(C)(C)C)C1 ZINC001317932320 1332446128 /nfs/dbraw/zinc/44/61/28/1332446128.db2.gz YUVNQPCEHMDRDW-NVXWUHKLSA-N 1 2 349.519 2.310 10 30 EEEELO CC[C@H](OC)C(=O)N[C@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001317962880 1332452929 /nfs/dbraw/zinc/45/29/29/1332452929.db2.gz VFLMDUCEQXFDRV-ROUUACIJSA-N 1 2 332.419 2.183 10 30 EEEELO CC[C@H](OC)C(=O)N[C@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001317962880 1332452933 /nfs/dbraw/zinc/45/29/33/1332452933.db2.gz VFLMDUCEQXFDRV-ROUUACIJSA-N 1 2 332.419 2.183 10 30 EEEELO C=C[C@@H](C(=O)NC[C@H](CC)[NH2+]Cc1nc(C)no1)c1ccccc1 ZINC001318604032 1332566934 /nfs/dbraw/zinc/56/69/34/1332566934.db2.gz RHNBTKOVUKTFRI-JKSUJKDBSA-N 1 2 328.416 2.332 10 30 EEEELO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@H](C)OCc2ccccc2C)C1 ZINC001319317880 1332683008 /nfs/dbraw/zinc/68/30/08/1332683008.db2.gz LPUMYOIBQQJTJP-PKOBYXMFSA-N 1 2 346.471 2.293 10 30 EEEELO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)[C@H](C)OCc2ccccc2C)C1 ZINC001319317880 1332683010 /nfs/dbraw/zinc/68/30/10/1332683010.db2.gz LPUMYOIBQQJTJP-PKOBYXMFSA-N 1 2 346.471 2.293 10 30 EEEELO C=CCO[C@H]1CC[N@@H+](CN2C(=O)N[C@@](C)(C3CCCCC3)C2=O)C1 ZINC001320029690 1332812801 /nfs/dbraw/zinc/81/28/01/1332812801.db2.gz KMWSQUFRANDWPE-YJBOKZPZSA-N 1 2 335.448 2.112 10 30 EEEELO C=CCO[C@H]1CC[N@H+](CN2C(=O)N[C@@](C)(C3CCCCC3)C2=O)C1 ZINC001320029690 1332812804 /nfs/dbraw/zinc/81/28/04/1332812804.db2.gz KMWSQUFRANDWPE-YJBOKZPZSA-N 1 2 335.448 2.112 10 30 EEEELO C=CCO[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001320897813 1332974696 /nfs/dbraw/zinc/97/46/96/1332974696.db2.gz IAEHZAMRJWXZGR-JSGCOSHPSA-N 1 2 349.387 2.207 10 30 EEEELO C=CCO[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001320897813 1332974700 /nfs/dbraw/zinc/97/47/00/1332974700.db2.gz IAEHZAMRJWXZGR-JSGCOSHPSA-N 1 2 349.387 2.207 10 30 EEEELO C[C@H](C[N@H+](C)Cc1ccn(C2CCCC2)n1)NC(=O)CSCC#N ZINC001322117178 1333211442 /nfs/dbraw/zinc/21/14/42/1333211442.db2.gz RQZQYNVNHXTRTA-CQSZACIVSA-N 1 2 349.504 2.191 10 30 EEEELO C[C@H](C[N@@H+](C)Cc1ccn(C2CCCC2)n1)NC(=O)CSCC#N ZINC001322117178 1333211448 /nfs/dbraw/zinc/21/14/48/1333211448.db2.gz RQZQYNVNHXTRTA-CQSZACIVSA-N 1 2 349.504 2.191 10 30 EEEELO 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ANYJNDKXYQMCEY-GASCZTMLSA-N 1 2 331.464 2.175 10 30 EEEELO CC[C@@H](C)C(=O)N[C@@]1(CO)CCC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001325817764 1333966211 /nfs/dbraw/zinc/96/62/11/1333966211.db2.gz FERYGMATLMAQJT-UZLBHIALSA-N 1 2 346.446 2.166 10 30 EEEELO CC[C@@H](C)C(=O)N[C@@]1(CO)CCC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001325817764 1333966212 /nfs/dbraw/zinc/96/62/12/1333966212.db2.gz FERYGMATLMAQJT-UZLBHIALSA-N 1 2 346.446 2.166 10 30 EEEELO C#CCCCC(=O)N1CC[C@@H](CC[NH2+]Cc2noc(C3CC3)n2)C1 ZINC001326258665 1334054607 /nfs/dbraw/zinc/05/46/07/1334054607.db2.gz VBJYVIQLEBRUJA-CQSZACIVSA-N 1 2 330.432 2.079 10 30 EEEELO C=CCCCCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cn2c(n1)CCC2 ZINC001326632242 1334128967 /nfs/dbraw/zinc/12/89/67/1334128967.db2.gz GPVSGRXFEFLEAD-MRXNPFEDSA-N 1 2 346.475 2.006 10 30 EEEELO C=CCCCCC[N@H+]1CCOC[C@H]1CNC(=O)c1cn2c(n1)CCC2 ZINC001326632242 1334128968 /nfs/dbraw/zinc/12/89/68/1334128968.db2.gz GPVSGRXFEFLEAD-MRXNPFEDSA-N 1 2 346.475 2.006 10 30 EEEELO 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CC(C)n1cc(C[N@H+]2CCCCC[C@@H]2CNC(=O)C#CC2CC2)nn1 ZINC001329919278 1334738797 /nfs/dbraw/zinc/73/87/97/1334738797.db2.gz COTBYPRYHAGYST-GOSISDBHSA-N 1 2 343.475 2.133 10 30 EEEELO C[C@H]1C[C@H]([NH2+]Cc2csnn2)CN1C(=O)CC#Cc1ccccc1 ZINC001332064906 1335717851 /nfs/dbraw/zinc/71/78/51/1335717851.db2.gz PRIBFVNIHYRUGC-HOCLYGCPSA-N 1 2 340.452 2.059 10 30 EEEELO C=CCOCCCC(=O)N[C@]12CCC[C@@H]1[N@H+](Cc1ncccn1)CC2 ZINC001332080187 1335721828 /nfs/dbraw/zinc/72/18/28/1335721828.db2.gz DEGYEYISSZVXOU-LPHOPBHVSA-N 1 2 344.459 2.073 10 30 EEEELO C=CCOCCCC(=O)N[C@]12CCC[C@@H]1[N@@H+](Cc1ncccn1)CC2 ZINC001332080187 1335721831 /nfs/dbraw/zinc/72/18/31/1335721831.db2.gz DEGYEYISSZVXOU-LPHOPBHVSA-N 1 2 344.459 2.073 10 30 EEEELO C=CCCC[C@@H](C(=O)N[C@H]1CCC[N@@H+](CC(N)=O)C1)c1ccccc1 ZINC001332393574 1335817120 /nfs/dbraw/zinc/81/71/20/1335817120.db2.gz MUEIJLNDRKPGDJ-ZWKOTPCHSA-N 1 2 343.471 2.192 10 30 EEEELO C=CCCC[C@@H](C(=O)N[C@H]1CCC[N@H+](CC(N)=O)C1)c1ccccc1 ZINC001332393574 1335817124 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EEEELO N#CC1(C(=O)N2CC[NH+](Cc3cccs3)CC2)CCSCC1 ZINC000929393678 1206471395 /nfs/dbraw/zinc/47/13/95/1206471395.db2.gz MVDQOMFSTYTORY-UHFFFAOYSA-N 1 2 335.498 2.429 10 30 EEEELO C#Cc1ccc(NC(=O)CC[N@@H+](C)Cc2nc([C@@H](C)OC)no2)cc1 ZINC000929779444 1206501237 /nfs/dbraw/zinc/50/12/37/1206501237.db2.gz JPWQJIAEPVLBDW-CYBMUJFWSA-N 1 2 342.399 2.219 10 30 EEEELO C#Cc1ccc(NC(=O)CC[N@H+](C)Cc2nc([C@@H](C)OC)no2)cc1 ZINC000929779444 1206501238 /nfs/dbraw/zinc/50/12/38/1206501238.db2.gz JPWQJIAEPVLBDW-CYBMUJFWSA-N 1 2 342.399 2.219 10 30 EEEELO CCOCCCC(=O)N[C@@H](C)C1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001276342516 1215816006 /nfs/dbraw/zinc/81/60/06/1215816006.db2.gz NTNIZKZYWXZODR-AWEZNQCLSA-N 1 2 347.434 2.451 10 30 EEEELO C#CCO[C@H](C)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000827342659 1247929374 /nfs/dbraw/zinc/92/93/74/1247929374.db2.gz MJSHEJUZXQBPSX-XFBWCDHKSA-N 1 2 338.810 2.379 10 30 EEEELO C#CCO[C@H](C)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000827342659 1247929381 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346.475 2.068 10 30 EEEELO C=CC1(CC(=O)N[C@@H]2COC3(C[NH+](CCOC)C3)C2)CCCCC1 ZINC001273723947 1284129843 /nfs/dbraw/zinc/12/98/43/1284129843.db2.gz NVCKQGOGKOKNCR-INIZCTEOSA-N 1 2 336.476 2.119 10 30 EEEELO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)COc1ccccc1CC)CO2 ZINC001273729760 1284291318 /nfs/dbraw/zinc/29/13/18/1284291318.db2.gz ZNIBHMXBRQWAJA-QGZVFWFLSA-N 1 2 344.455 2.163 10 30 EEEELO C=CC(C)(C)CC(=O)N1CC[C@]2(NC(=O)Cc3[nH]cc[nH+]3)CCC[C@H]12 ZINC001488235795 1286976171 /nfs/dbraw/zinc/97/61/71/1286976171.db2.gz IRRXWWKOFPFBLR-IFXJQAMLSA-N 1 2 344.459 2.194 10 30 EEEELO C=C[C@](C)(CC)C(=O)NC1CC(N(C)C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001488581968 1290071850 /nfs/dbraw/zinc/07/18/50/1290071850.db2.gz QEVJJMDGSSCHKC-JTTJXQCZSA-N 1 2 332.448 2.050 10 30 EEEELO C=C[C@](C)(CC)C(=O)NC1CC(N(C)C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001488581968 1290071858 /nfs/dbraw/zinc/07/18/58/1290071858.db2.gz QEVJJMDGSSCHKC-JTTJXQCZSA-N 1 2 332.448 2.050 10 30 EEEELO C#CCCCCCC(=O)N1C[C@@H]2C[N@@H+](Cc3nncs3)CC[C@@H]2C1 ZINC001489200200 1290441724 /nfs/dbraw/zinc/44/17/24/1290441724.db2.gz JASAZEISHJHFHW-CVEARBPZSA-N 1 2 346.500 2.402 10 30 EEEELO C#CCCCCCC(=O)N1C[C@@H]2C[N@H+](Cc3nncs3)CC[C@@H]2C1 ZINC001489200200 1290441728 /nfs/dbraw/zinc/44/17/28/1290441728.db2.gz JASAZEISHJHFHW-CVEARBPZSA-N 1 2 346.500 2.402 10 30 EEEELO C=C(C)C[C@@H](C)C(=O)N1CC[C@H]1CN(C)C(=O)CCCn1cc[nH+]c1 ZINC001489756598 1290666266 /nfs/dbraw/zinc/66/62/66/1290666266.db2.gz BQKXTSZNGSGHKN-SJORKVTESA-N 1 2 346.475 2.325 10 30 EEEELO C=CCCCC(=O)N[C@@H]1CCC[N@@H+](CC(=O)N[C@@H](C)c2ccco2)C1 ZINC001490449086 1291315283 /nfs/dbraw/zinc/31/52/83/1291315283.db2.gz KLVARCKEZHGIOI-JKSUJKDBSA-N 1 2 347.459 2.394 10 30 EEEELO C=CCCCC(=O)N[C@@H]1CCC[N@H+](CC(=O)N[C@@H](C)c2ccco2)C1 ZINC001490449086 1291315294 /nfs/dbraw/zinc/31/52/94/1291315294.db2.gz KLVARCKEZHGIOI-JKSUJKDBSA-N 1 2 347.459 2.394 10 30 EEEELO C=C(C)CCC(=O)N[C@@H]1CC12CC[NH+](Cc1nnc(CC)o1)CC2 ZINC001490595888 1291497976 /nfs/dbraw/zinc/49/79/76/1291497976.db2.gz 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C=C(C)C[NH+]1CC(CCO)(NC(=O)[C@H](C)Cc2ccccc2C)C1 ZINC001485426046 1191779121 /nfs/dbraw/zinc/77/91/21/1191779121.db2.gz RSMQUVBXQJVHEG-QGZVFWFLSA-N 1 2 330.472 2.303 10 30 EEEELO C#CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)C2(C)CCCCCC2)[C@H]1C ZINC001486178245 1193715980 /nfs/dbraw/zinc/71/59/80/1193715980.db2.gz TXCKGJTWYBQDFB-SJORKVTESA-N 1 2 347.503 2.065 10 30 EEEELO C#CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)C2(C)CCCCCC2)[C@H]1C ZINC001486178245 1193715982 /nfs/dbraw/zinc/71/59/82/1193715982.db2.gz TXCKGJTWYBQDFB-SJORKVTESA-N 1 2 347.503 2.065 10 30 EEEELO C=C1CC(C)(C(=O)NC2CC(CNC(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC001486619594 1194120032 /nfs/dbraw/zinc/12/00/32/1194120032.db2.gz BTADREWRHMDQGF-FHERZECASA-N 1 2 344.459 2.202 10 30 EEEELO C=C(C)CCC(=O)NC[C@@H](C)N(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001486889940 1197053938 /nfs/dbraw/zinc/05/39/38/1197053938.db2.gz NOJKIMGDBTYKSP-CYBMUJFWSA-N 1 2 328.416 2.496 10 30 EEEELO C#CCCCCC(=O)N1CCCCC[C@@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC001487137262 1197241525 /nfs/dbraw/zinc/24/15/25/1197241525.db2.gz GANCWBFZOMGQFK-QGZVFWFLSA-N 1 2 344.459 2.033 10 30 EEEELO CCCCCCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCS1(=O)=O ZINC001691679994 1197483723 /nfs/dbraw/zinc/48/37/23/1197483723.db2.gz ZLEFNVSLQMLJPI-JKSUJKDBSA-N 1 2 344.521 2.067 10 30 EEEELO CCCCCCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCS1(=O)=O ZINC001691679994 1197483725 /nfs/dbraw/zinc/48/37/25/1197483725.db2.gz ZLEFNVSLQMLJPI-JKSUJKDBSA-N 1 2 344.521 2.067 10 30 EEEELO C#CCCCC(=O)N[C@H]1CCC[N@@H+](Cc2nc([C@@H](C)OC)no2)CC1 ZINC001273408635 1198631066 /nfs/dbraw/zinc/63/10/66/1198631066.db2.gz CNRXXZWIGCODEO-CABCVRRESA-N 1 2 348.447 2.051 10 30 EEEELO C#CCCCC(=O)N[C@H]1CCC[N@H+](Cc2nc([C@@H](C)OC)no2)CC1 ZINC001273408635 1198631068 /nfs/dbraw/zinc/63/10/68/1198631068.db2.gz CNRXXZWIGCODEO-CABCVRRESA-N 1 2 348.447 2.051 10 30 EEEELO COc1cc(C[NH2+]Cc2ncc(C3OCCO3)s2)ccc1C#N ZINC000811512911 1200119699 /nfs/dbraw/zinc/11/96/99/1200119699.db2.gz ANWIOOSRDYKUBE-UHFFFAOYSA-N 1 2 331.397 2.359 10 30 EEEELO C=CC[C@@H](C(=O)OC)[N@@H+]1CCC[C@@H](c2ncc(C(=O)OC)s2)C1 ZINC000879008689 1200799264 /nfs/dbraw/zinc/79/92/64/1200799264.db2.gz XGBATXBOEGGEMO-NEPJUHHUSA-N 1 2 338.429 2.227 10 30 EEEELO C=CC[C@@H](C(=O)OC)[N@H+]1CCC[C@@H](c2ncc(C(=O)OC)s2)C1 ZINC000879008689 1200799271 /nfs/dbraw/zinc/79/92/71/1200799271.db2.gz XGBATXBOEGGEMO-NEPJUHHUSA-N 1 2 338.429 2.227 10 30 EEEELO N#Cc1ccc2c(c1)C[C@@H](Nc1cc(N3CCSCC3)nc[nH+]1)C2 ZINC000866259535 1201478346 /nfs/dbraw/zinc/47/83/46/1201478346.db2.gz NTPZJROWRXNDSN-INIZCTEOSA-N 1 2 337.452 2.481 10 30 EEEELO N#Cc1ccc2c(c1)C[C@@H](Nc1cc(N3CCSCC3)[nH+]cn1)C2 ZINC000866259535 1201478347 /nfs/dbraw/zinc/47/83/47/1201478347.db2.gz NTPZJROWRXNDSN-INIZCTEOSA-N 1 2 337.452 2.481 10 30 EEEELO C=CCC[C@H]([NH2+]Cc1nnc(COC)[nH]1)[C@H]1Cc2ccccc2O1 ZINC000883234980 1202034498 /nfs/dbraw/zinc/03/44/98/1202034498.db2.gz QPNDSUHXJVAMJD-GOEBONIOSA-N 1 2 328.416 2.379 10 30 EEEELO C#CC1(NC(=O)NCc2cc[nH+]c(N3CCSCC3)c2)CCCC1 ZINC000883800822 1202131970 /nfs/dbraw/zinc/13/19/70/1202131970.db2.gz OJMKHTMUCACWSL-UHFFFAOYSA-N 1 2 344.484 2.380 10 30 EEEELO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCCC[C@H]1c1ccccc1OC ZINC000884126595 1202238426 /nfs/dbraw/zinc/23/84/26/1202238426.db2.gz FEZCCRCGIFHROB-HOTGVXAUSA-N 1 2 346.427 2.195 10 30 EEEELO NC(Cc1cccnc1)=[NH+]OCc1ccn(-c2ccc(F)cc2)n1 ZINC000137645828 1202492510 /nfs/dbraw/zinc/49/25/10/1202492510.db2.gz QRSBMSPHLHFFHY-UHFFFAOYSA-N 1 2 325.347 2.438 10 30 EEEELO C=CCCC(=O)N[C@@H](C)C[N@H+](C)Cc1cnnn1-c1ccccc1 ZINC001275521916 1205394758 /nfs/dbraw/zinc/39/47/58/1205394758.db2.gz ZSVMDJSTUXXMSO-HNNXBMFYSA-N 1 2 327.432 2.170 10 30 EEEELO C=CCCC(=O)N[C@@H](C)C[N@@H+](C)Cc1cnnn1-c1ccccc1 ZINC001275521916 1205394761 /nfs/dbraw/zinc/39/47/61/1205394761.db2.gz ZSVMDJSTUXXMSO-HNNXBMFYSA-N 1 2 327.432 2.170 10 30 EEEELO C=CC(C)(C)C(=O)N[C@H](C)C[N@H+](C)Cc1nnc(-c2ccco2)o1 ZINC001275622334 1205448959 /nfs/dbraw/zinc/44/89/59/1205448959.db2.gz OJPMDYNMPUPXKW-GFCCVEGCSA-N 1 2 332.404 2.478 10 30 EEEELO C=CC(C)(C)C(=O)N[C@H](C)C[N@@H+](C)Cc1nnc(-c2ccco2)o1 ZINC001275622334 1205448961 /nfs/dbraw/zinc/44/89/61/1205448961.db2.gz OJPMDYNMPUPXKW-GFCCVEGCSA-N 1 2 332.404 2.478 10 30 EEEELO C#C[C@H]1CCCCN1C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000930448006 1206558457 /nfs/dbraw/zinc/55/84/57/1206558457.db2.gz NATZYGYBHYVZSL-HNNXBMFYSA-N 1 2 328.416 2.246 10 30 EEEELO C=CC[C@H]1CC[N@H+]1CC1=C(C(=O)OCC)[C@@H](c2ccco2)NC(=O)N1 ZINC000934466791 1207967899 /nfs/dbraw/zinc/96/78/99/1207967899.db2.gz NHWAWRGAWWRWDP-BLLLJJGKSA-N 1 2 345.399 2.101 10 30 EEEELO C=CC[C@H]1CC[N@@H+]1CC1=C(C(=O)OCC)[C@@H](c2ccco2)NC(=O)N1 ZINC000934466791 1207967901 /nfs/dbraw/zinc/96/79/01/1207967901.db2.gz NHWAWRGAWWRWDP-BLLLJJGKSA-N 1 2 345.399 2.101 10 30 EEEELO C=CCC(C)(C)C(=O)NC[C@H](C)CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001746603587 1216164043 /nfs/dbraw/zinc/16/40/43/1216164043.db2.gz KIDHSIKBDWIYRM-ZIAGYGMSSA-N 1 2 346.475 2.300 10 30 EEEELO C#CC[N@@H+](CN1CC[C@@H](CCOC)C1=O)[C@H]1CCc2ccccc21 ZINC000902059447 1236948818 /nfs/dbraw/zinc/94/88/18/1236948818.db2.gz VITYSJKBXDSAKO-HKUYNNGSSA-N 1 2 326.440 2.452 10 30 EEEELO C#CC[N@H+](CN1CC[C@@H](CCOC)C1=O)[C@H]1CCc2ccccc21 ZINC000902059447 1236948821 /nfs/dbraw/zinc/94/88/21/1236948821.db2.gz VITYSJKBXDSAKO-HKUYNNGSSA-N 1 2 326.440 2.452 10 30 EEEELO C=CCNC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccc(CC)s1 ZINC001491217546 1258796183 /nfs/dbraw/zinc/79/61/83/1258796183.db2.gz UPIZAWDDAMFBAT-AWEZNQCLSA-N 1 2 349.500 2.197 10 30 EEEELO C=CCNC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(CC)s1 ZINC001491217546 1258796187 /nfs/dbraw/zinc/79/61/87/1258796187.db2.gz UPIZAWDDAMFBAT-AWEZNQCLSA-N 1 2 349.500 2.197 10 30 EEEELO C=CCCCC(=O)N1CCC[C@H](C)[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001746772464 1276650513 /nfs/dbraw/zinc/65/05/13/1276650513.db2.gz CMQKRNSSRLWJOP-DOTOQJQBSA-N 1 2 346.475 2.062 10 30 EEEELO CCCCCCC[NH+]1CC2(C1)CN(C(=O)c1n[nH]cc1F)CCO2 ZINC001273630734 1281770821 /nfs/dbraw/zinc/77/08/21/1281770821.db2.gz WNTWBAPHCXEXNB-UHFFFAOYSA-N 1 2 338.427 2.046 10 30 EEEELO COc1cc(-c2noc(C[NH2+][C@@H](C)c3ccc(C#N)cc3)n2)ncn1 ZINC001194290888 1282981986 /nfs/dbraw/zinc/98/19/86/1282981986.db2.gz ITJMNGQKYFFCTO-NSHDSACASA-N 1 2 336.355 2.258 10 30 EEEELO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@H](CO)c1cc(F)ccc1F ZINC001198686470 1285297962 /nfs/dbraw/zinc/29/79/62/1285297962.db2.gz VNCGBFAYLGJRNR-CXMBCZLWSA-N 1 2 339.386 2.031 10 30 EEEELO N#C[C@]1(C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)CCCOC1 ZINC000867338692 1286165564 /nfs/dbraw/zinc/16/55/64/1286165564.db2.gz MPNDYPVLWPGQTE-GOSISDBHSA-N 1 2 330.432 2.222 10 30 EEEELO C=CC(C)(C)C(=O)NC[C@H](C1CC1)N(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001487654893 1286212117 /nfs/dbraw/zinc/21/21/17/1286212117.db2.gz HYTIAPOBQAZBNX-GDBMZVCRSA-N 1 2 346.475 2.400 10 30 EEEELO C=CCCC(=O)NC[C@H]1Cc2ccccc2C[N@H+]1Cc1ccnn1C ZINC001273813799 1286317037 /nfs/dbraw/zinc/31/70/37/1286317037.db2.gz JAULEKLSOALYAM-LJQANCHMSA-N 1 2 338.455 2.429 10 30 EEEELO C=CCCC(=O)NC[C@H]1Cc2ccccc2C[N@@H+]1Cc1ccnn1C ZINC001273813799 1286317043 /nfs/dbraw/zinc/31/70/43/1286317043.db2.gz JAULEKLSOALYAM-LJQANCHMSA-N 1 2 338.455 2.429 10 30 EEEELO CC#CC[NH2+]Cc1nc2c(s1)CCN(C(=O)CC1(OC)CCC1)C2 ZINC001489335203 1290518676 /nfs/dbraw/zinc/51/86/76/1290518676.db2.gz KHHXZHBWUMMHKB-UHFFFAOYSA-N 1 2 347.484 2.100 10 30 EEEELO C=C[C@@](C)(O)CC(=O)N[C@@H]1CCC[N@@H+](Cc2nc(C)sc2C)C1 ZINC001490434608 1291348271 /nfs/dbraw/zinc/34/82/71/1291348271.db2.gz GUVXTCAFTMPUMI-RHSMWYFYSA-N 1 2 337.489 2.168 10 30 EEEELO C=C[C@@](C)(O)CC(=O)N[C@@H]1CCC[N@H+](Cc2nc(C)sc2C)C1 ZINC001490434608 1291348279 /nfs/dbraw/zinc/34/82/79/1291348279.db2.gz GUVXTCAFTMPUMI-RHSMWYFYSA-N 1 2 337.489 2.168 10 30 EEEELO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc(OCCOC)cc2)C1 ZINC001490567898 1291465396 /nfs/dbraw/zinc/46/53/96/1291465396.db2.gz QHAUODQDDIYNTG-HNNXBMFYSA-N 1 2 338.835 2.268 10 30 EEEELO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc(OCCOC)cc2)C1 ZINC001490567898 1291465405 /nfs/dbraw/zinc/46/54/05/1291465405.db2.gz QHAUODQDDIYNTG-HNNXBMFYSA-N 1 2 338.835 2.268 10 30 EEEELO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)c2cc(C(C)C)oc2C)C1 ZINC001490568561 1291465478 /nfs/dbraw/zinc/46/54/78/1291465478.db2.gz SEKXWAPVPIIDKO-DZGCQCFKSA-N 1 2 347.459 2.206 10 30 EEEELO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)c2cc(C(C)C)oc2C)C1 ZINC001490568561 1291465484 /nfs/dbraw/zinc/46/54/84/1291465484.db2.gz SEKXWAPVPIIDKO-DZGCQCFKSA-N 1 2 347.459 2.206 10 30 EEEELO C=CCC1(C(=O)NC[C@H](C)CNC(=O)Cc2c[nH]c[nH+]2)CCCCC1 ZINC001746618803 1296751714 /nfs/dbraw/zinc/75/17/14/1296751714.db2.gz UBFCWVOLHGEZAE-OAHLLOKOSA-N 1 2 346.475 2.347 10 30 EEEELO COCC1(CC(=O)NC[C@H]2CC[N@@H+]2CC#Cc2ccccc2)CC1 ZINC001276854289 1299937630 /nfs/dbraw/zinc/93/76/30/1299937630.db2.gz SUOLTPJLQQBCFU-GOSISDBHSA-N 1 2 326.440 2.045 10 30 EEEELO COCC1(CC(=O)NC[C@H]2CC[N@H+]2CC#Cc2ccccc2)CC1 ZINC001276854289 1299937634 /nfs/dbraw/zinc/93/76/34/1299937634.db2.gz SUOLTPJLQQBCFU-GOSISDBHSA-N 1 2 326.440 2.045 10 30 EEEELO C=C[C@@H](CC)CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2[C@H](C)C(=O)N(C)C ZINC001277436516 1303007041 /nfs/dbraw/zinc/00/70/41/1303007041.db2.gz OJHHIGTZWOBYEG-TWMKSMIVSA-N 1 2 335.492 2.131 10 30 EEEELO C=C[C@@H](CC)CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2[C@H](C)C(=O)N(C)C ZINC001277436516 1303007048 /nfs/dbraw/zinc/00/70/48/1303007048.db2.gz OJHHIGTZWOBYEG-TWMKSMIVSA-N 1 2 335.492 2.131 10 30 EEEELO C#Cc1ccc(C(=O)N(C)C[C@H](C)[NH2+][C@H](C)c2nnc(CC)o2)cc1 ZINC001277901695 1305040398 /nfs/dbraw/zinc/04/03/98/1305040398.db2.gz ZSXPUXFKOOSYQW-UONOGXRCSA-N 1 2 340.427 2.425 10 30 EEEELO C=C(C)C(C)(C)C(=O)NCC1(O)C[NH+](CCCOc2ccccc2)C1 ZINC001278895996 1318566469 /nfs/dbraw/zinc/56/64/69/1318566469.db2.gz KPZLWQRFGRRYJG-UHFFFAOYSA-N 1 2 346.471 2.221 10 30 EEEELO C=CC(C)(C)CC(=O)N1CC[C@@H](N(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001293666022 1328775817 /nfs/dbraw/zinc/77/58/17/1328775817.db2.gz LCDCFDOBDDNNHC-CQSZACIVSA-N 1 2 346.475 2.349 10 30 EEEELO C=C(C)CCC(=O)N(C)[C@H]1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001293667469 1328776942 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QJIZDHFEYPFOGK-AWEZNQCLSA-N 1 2 348.447 2.043 10 30 EEEELO C=C[C@@H](CC)CC(=O)N[C@@H]1CC12CC[NH+](Cc1nc(C)no1)CC2 ZINC001265332418 1323081506 /nfs/dbraw/zinc/08/15/06/1323081506.db2.gz UACCSAAWWCPIAJ-LSDHHAIUSA-N 1 2 332.448 2.451 10 30 EEEELO C[C@H](NC(=O)C#CC1CC1)[C@@H]1CCC[N@H+](Cc2nn(C)cc2Cl)C1 ZINC001265702335 1323335988 /nfs/dbraw/zinc/33/59/88/1323335988.db2.gz CCWUUTUYYCGWRZ-DZGCQCFKSA-N 1 2 348.878 2.204 10 30 EEEELO C[C@H](NC(=O)C#CC1CC1)[C@@H]1CCC[N@@H+](Cc2nn(C)cc2Cl)C1 ZINC001265702335 1323335992 /nfs/dbraw/zinc/33/59/92/1323335992.db2.gz CCWUUTUYYCGWRZ-DZGCQCFKSA-N 1 2 348.878 2.204 10 30 EEEELO C#Cc1ccc(C(=O)NCCC[N@@H+](CC)Cc2nnc(CC)o2)cc1 ZINC001266068186 1323621935 /nfs/dbraw/zinc/62/19/35/1323621935.db2.gz CNNFVYCIYQGLDT-UHFFFAOYSA-N 1 2 340.427 2.255 10 30 EEEELO C#Cc1ccc(C(=O)NCCC[N@H+](CC)Cc2nnc(CC)o2)cc1 ZINC001266068186 1323621938 /nfs/dbraw/zinc/62/19/38/1323621938.db2.gz CNNFVYCIYQGLDT-UHFFFAOYSA-N 1 2 340.427 2.255 10 30 EEEELO C=CCCC(=O)N(C)C1CC[NH+]([C@H](C)C(=O)Nc2cc(C)no2)CC1 ZINC001266177592 1323745740 /nfs/dbraw/zinc/74/57/40/1323745740.db2.gz HYBUFQKIKRCGMB-CQSZACIVSA-N 1 2 348.447 2.199 10 30 EEEELO CC(C)c1nc(C[N@@H+]2CCC[C@@H]2CCCNC(=O)[C@H](C)C#N)no1 ZINC001266203866 1323767618 /nfs/dbraw/zinc/76/76/18/1323767618.db2.gz LGPAKKNAZVVFKU-KGLIPLIRSA-N 1 2 333.436 2.213 10 30 EEEELO CC(C)c1nc(C[N@H+]2CCC[C@@H]2CCCNC(=O)[C@H](C)C#N)no1 ZINC001266203866 1323767624 /nfs/dbraw/zinc/76/76/24/1323767624.db2.gz LGPAKKNAZVVFKU-KGLIPLIRSA-N 1 2 333.436 2.213 10 30 EEEELO CCCCC[C@@H](C)NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)C#CC2CC2)C1 ZINC001266218437 1323787104 /nfs/dbraw/zinc/78/71/04/1323787104.db2.gz PPVIILHYCOLAAC-SJLPKXTDSA-N 1 2 347.503 2.065 10 30 EEEELO CCCCC[C@@H](C)NC(=O)C[N@H+]1CCC[C@@H](NC(=O)C#CC2CC2)C1 ZINC001266218437 1323787112 /nfs/dbraw/zinc/78/71/12/1323787112.db2.gz PPVIILHYCOLAAC-SJLPKXTDSA-N 1 2 347.503 2.065 10 30 EEEELO COc1ncccc1C[N@@H+]1CCC[C@@H](NC(=O)C#CC(C)(C)C)C1 ZINC001266218972 1323788105 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EEEELO C#CCC[N@H+]1CCOC[C@H]1CNC(=O)CC[C@H](C)c1ccccc1 ZINC001280417236 1324211681 /nfs/dbraw/zinc/21/16/81/1324211681.db2.gz CTPBFPSRUFANFA-PKOBYXMFSA-N 1 2 328.456 2.411 10 30 EEEELO C#CCC[N@@H+]1CCOC[C@H]1CNC(=O)CC[C@H](C)c1ccccc1 ZINC001280417236 1324211688 /nfs/dbraw/zinc/21/16/88/1324211688.db2.gz CTPBFPSRUFANFA-PKOBYXMFSA-N 1 2 328.456 2.411 10 30 EEEELO C=C(C)C(C)(C)C(=O)N1CC([C@H](C)NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001280636067 1324362100 /nfs/dbraw/zinc/36/21/00/1324362100.db2.gz YJZVJUQBUQRUBL-GJZGRUSLSA-N 1 2 346.475 2.400 10 30 EEEELO C=C(C)C[C@@H](C)C(=O)N1C[C@@H](NC(=O)CCn2cc[nH+]c2)C(C)(C)C1 ZINC001280680712 1324404926 /nfs/dbraw/zinc/40/49/26/1324404926.db2.gz OVWUTJMXUWKJCE-HZPDHXFCSA-N 1 2 346.475 2.229 10 30 EEEELO Cc1cc(C[N@@H+]2C[C@@H](NC(=O)C#CC(C)(C)C)C(C)(C)C2)nn1C ZINC001276578745 1324621900 /nfs/dbraw/zinc/62/19/00/1324621900.db2.gz IXSZYZZAHHPQIC-MRXNPFEDSA-N 1 2 330.476 2.105 10 30 EEEELO Cc1cc(C[N@H+]2C[C@@H](NC(=O)C#CC(C)(C)C)C(C)(C)C2)nn1C 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/nfs/dbraw/zinc/87/54/35/1324875435.db2.gz SMFLKYISXUJKIU-NVXWUHKLSA-N 1 2 344.459 2.032 10 30 EEEELO C=CC(C)(C)C(=O)NC[C@@H]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001281232288 1324906647 /nfs/dbraw/zinc/90/66/47/1324906647.db2.gz JREZZQWQXDWLQQ-HZPDHXFCSA-N 1 2 346.475 2.277 10 30 EEEELO C=CCCO[C@@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ncccn2)CC1(C)C ZINC001281540907 1325246528 /nfs/dbraw/zinc/24/65/28/1325246528.db2.gz GNBZMRGOFUQPFJ-HOTGVXAUSA-N 1 2 346.475 2.175 10 30 EEEELO C=CCCO[C@@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ncccn2)CC1(C)C ZINC001281540907 1325246537 /nfs/dbraw/zinc/24/65/37/1325246537.db2.gz GNBZMRGOFUQPFJ-HOTGVXAUSA-N 1 2 346.475 2.175 10 30 EEEELO C#CCCCC(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH2+]Cc1cnns1 ZINC001281900919 1325503900 /nfs/dbraw/zinc/50/39/00/1325503900.db2.gz FAFZIKBRPZVJAG-SJLPKXTDSA-N 1 2 340.452 2.213 10 30 EEEELO C#Cc1cccc(NC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)/C(C)=C\C)c1 ZINC001282365277 1325700061 /nfs/dbraw/zinc/70/00/61/1325700061.db2.gz CXGAQMIIABUPED-XXUROBRHSA-N 1 2 327.428 2.009 10 30 EEEELO C#Cc1cccc(NC(=O)C[N@H+](C)[C@@H](C)CNC(=O)/C(C)=C\C)c1 ZINC001282365277 1325700064 /nfs/dbraw/zinc/70/00/64/1325700064.db2.gz CXGAQMIIABUPED-XXUROBRHSA-N 1 2 327.428 2.009 10 30 EEEELO C=C[C@](C)(CC)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1c[nH]c[nH+]1)C2 ZINC001282646633 1325757044 /nfs/dbraw/zinc/75/70/44/1325757044.db2.gz RGPNDLHDIOVOKN-PASDCYSWSA-N 1 2 344.459 2.193 10 30 EEEELO C=C[C@](C)(CC)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1c[nH+]c[nH]1)C2 ZINC001282646633 1325757045 /nfs/dbraw/zinc/75/70/45/1325757045.db2.gz RGPNDLHDIOVOKN-PASDCYSWSA-N 1 2 344.459 2.193 10 30 EEEELO C=CCCCC(=O)NC[C@@H]1CCCCC[N@@H+]1CC(=O)Nc1ccon1 ZINC001282675634 1325762852 /nfs/dbraw/zinc/76/28/52/1325762852.db2.gz NWYLLEVQUXBNRE-HNNXBMFYSA-N 1 2 348.447 2.330 10 30 EEEELO C=CCCCC(=O)NC[C@@H]1CCCCC[N@H+]1CC(=O)Nc1ccon1 ZINC001282675634 1325762855 /nfs/dbraw/zinc/76/28/55/1325762855.db2.gz NWYLLEVQUXBNRE-HNNXBMFYSA-N 1 2 348.447 2.330 10 30 EEEELO 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C=C(C)CCC(=O)N1CCC[C@@H]([N@H+](CCO)Cc2ncc(C)o2)C1 ZINC001691529050 1186774367 /nfs/dbraw/zinc/77/43/67/1186774367.db2.gz XCBPCSCNXIZAIF-MRXNPFEDSA-N 1 2 335.448 2.125 10 30 EEEELO C=C(C)CCC(=O)N1CCC[C@@H]([N@@H+](CCO)Cc2ncc(C)o2)C1 ZINC001691529050 1186774376 /nfs/dbraw/zinc/77/43/76/1186774376.db2.gz XCBPCSCNXIZAIF-MRXNPFEDSA-N 1 2 335.448 2.125 10 30 EEEELO C=CCCC(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2Cc1nnc2n1CCCC2 ZINC001272006039 1186914534 /nfs/dbraw/zinc/91/45/34/1186914534.db2.gz RFETWUDVKPENGW-CVEARBPZSA-N 1 2 343.475 2.146 10 30 EEEELO C=CCCC(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2Cc1nnc2n1CCCC2 ZINC001272006039 1186914541 /nfs/dbraw/zinc/91/45/41/1186914541.db2.gz RFETWUDVKPENGW-CVEARBPZSA-N 1 2 343.475 2.146 10 30 EEEELO C=C1CC(C)(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3[C@@H](CCCC)C(N)=O)C1 ZINC001671019435 1193545977 /nfs/dbraw/zinc/54/59/77/1193545977.db2.gz YNVVARBWOBTCNA-BBWFWOEESA-N 1 2 347.503 2.452 10 30 EEEELO C=C1CC(C)(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3[C@@H](CCCC)C(N)=O)C1 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ZINC001483411853 1190458554 /nfs/dbraw/zinc/45/85/54/1190458554.db2.gz ZSQGIZSQDBSDSO-CYBMUJFWSA-N 1 2 342.468 2.332 10 30 EEEELO C=CCCC(=O)NC[C@@H]1CC[N@H+]1[C@H](C)C(=O)N(C)C1CCCCC1 ZINC001483637247 1190699660 /nfs/dbraw/zinc/69/96/60/1190699660.db2.gz SUTITAHJWFRTKC-WBVHZDCISA-N 1 2 335.492 2.323 10 30 EEEELO C=CCCC(=O)NC[C@@H]1CC[N@@H+]1[C@H](C)C(=O)N(C)C1CCCCC1 ZINC001483637247 1190699661 /nfs/dbraw/zinc/69/96/61/1190699661.db2.gz SUTITAHJWFRTKC-WBVHZDCISA-N 1 2 335.492 2.323 10 30 EEEELO C=C[C@@](C)(CC)C(=O)NC[C@@H]1CC[N@@H+]1Cc1cc(=O)[nH]c(C2CC2)n1 ZINC001483678224 1190737962 /nfs/dbraw/zinc/73/79/62/1190737962.db2.gz PXPNFPZYAWQHBY-KXBFYZLASA-N 1 2 344.459 2.352 10 30 EEEELO C=C[C@@](C)(CC)C(=O)NC[C@@H]1CC[N@H+]1Cc1cc(=O)[nH]c(C2CC2)n1 ZINC001483678224 1190737963 /nfs/dbraw/zinc/73/79/63/1190737963.db2.gz PXPNFPZYAWQHBY-KXBFYZLASA-N 1 2 344.459 2.352 10 30 EEEELO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@@H]1CNC(=O)C1CC2(CC2)C1 ZINC001483678851 1190738699 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C#CCN(C(=O)C[C@H](C)COC)C1CC[NH+](Cc2ncc(C)o2)CC1 ZINC001324431650 1333681742 /nfs/dbraw/zinc/68/17/42/1333681742.db2.gz DVBPMTLHLKNGCM-HNNXBMFYSA-N 1 2 347.459 2.082 10 30 EEEELO C=C(C)CCC(=O)N[C@]1(C)CC[N@H+](CC(=O)Nc2ccc(O)cc2)C1 ZINC001324619206 1333723811 /nfs/dbraw/zinc/72/38/11/1333723811.db2.gz IWWYLESMSSPMPF-LJQANCHMSA-N 1 2 345.443 2.268 10 30 EEEELO C=C(C)CCC(=O)N[C@]1(C)CC[N@@H+](CC(=O)Nc2ccc(O)cc2)C1 ZINC001324619206 1333723817 /nfs/dbraw/zinc/72/38/17/1333723817.db2.gz IWWYLESMSSPMPF-LJQANCHMSA-N 1 2 345.443 2.268 10 30 EEEELO C#CCC[N@H+]1CCOC[C@@H]1CNC(=O)C/C=C\c1ccc(F)cc1 ZINC001326644747 1334132050 /nfs/dbraw/zinc/13/20/50/1334132050.db2.gz VLUFGWGAESQRMZ-XDXAGZTOSA-N 1 2 330.403 2.069 10 30 EEEELO C#CCC[N@@H+]1CCOC[C@@H]1CNC(=O)C/C=C\c1ccc(F)cc1 ZINC001326644747 1334132053 /nfs/dbraw/zinc/13/20/53/1334132053.db2.gz VLUFGWGAESQRMZ-XDXAGZTOSA-N 1 2 330.403 2.069 10 30 EEEELO C=CCCC(=O)N[C@H]1COC2(C[NH+](Cc3cccc(N(C)C)c3)C2)C1 ZINC001327380533 1334281436 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ZINC001664993510 1355260067 /nfs/dbraw/zinc/26/00/67/1355260067.db2.gz OZLAXHRUNTYOEV-OAHLLOKOSA-N 1 2 336.382 2.085 10 30 EEEELO C#CCOCCC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC001664993510 1355260071 /nfs/dbraw/zinc/26/00/71/1355260071.db2.gz OZLAXHRUNTYOEV-OAHLLOKOSA-N 1 2 336.382 2.085 10 30 EEEELO COCC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCc1ccc(C)cc1 ZINC001665413655 1355303562 /nfs/dbraw/zinc/30/35/62/1355303562.db2.gz WTFWTDKRKPMRQR-PMACEKPBSA-N 1 2 340.467 2.253 10 30 EEEELO COCC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCc1ccc(C)cc1 ZINC001665413655 1355303570 /nfs/dbraw/zinc/30/35/70/1355303570.db2.gz WTFWTDKRKPMRQR-PMACEKPBSA-N 1 2 340.467 2.253 10 30 EEEELO CCC(CC)NC(=O)C[N@@H+]1CC[C@@H](N(CC)C(=O)C#CC(C)(C)C)C1 ZINC001665715924 1355371538 /nfs/dbraw/zinc/37/15/38/1355371538.db2.gz WROVDZGFECDYDF-QGZVFWFLSA-N 1 2 349.519 2.264 10 30 EEEELO CCC(CC)NC(=O)C[N@H+]1CC[C@@H](N(CC)C(=O)C#CC(C)(C)C)C1 ZINC001665715924 1355371542 /nfs/dbraw/zinc/37/15/42/1355371542.db2.gz WROVDZGFECDYDF-QGZVFWFLSA-N 1 2 349.519 2.264 10 30 EEEELO C#Cc1ccc(C(=O)N[C@@H](C)C[N@H+](C)Cc2ccn(C(C)C)n2)nc1 ZINC001669916419 1356239604 /nfs/dbraw/zinc/23/96/04/1356239604.db2.gz YZGNFAHZOLIING-HNNXBMFYSA-N 1 2 339.443 2.091 10 30 EEEELO C#Cc1ccc(C(=O)N[C@@H](C)C[N@@H+](C)Cc2ccn(C(C)C)n2)nc1 ZINC001669916419 1356239608 /nfs/dbraw/zinc/23/96/08/1356239608.db2.gz YZGNFAHZOLIING-HNNXBMFYSA-N 1 2 339.443 2.091 10 30 EEEELO C#CCN(C(=O)CC1CCCC1)C1CC[NH+](Cc2nccn2C)CC1 ZINC001671450383 1356340371 /nfs/dbraw/zinc/34/03/71/1356340371.db2.gz HFFGKQJXYTYSKR-UHFFFAOYSA-N 1 2 342.487 2.427 10 30 EEEELO C#CCN(C(=O)[C@@H]1CC12CC2)C1CC[NH+]([C@@H](C)c2nnc(C)o2)CC1 ZINC001671497228 1356350808 /nfs/dbraw/zinc/35/08/08/1356350808.db2.gz OLGDLSXQZNAMME-BBRMVZONSA-N 1 2 342.443 2.165 10 30 EEEELO CCc1nnc(C[NH+]2CCC(C)(CNC(=O)C#CC3CC3)CC2)s1 ZINC001671835004 1356423400 /nfs/dbraw/zinc/42/34/00/1356423400.db2.gz ZWURFEBWJSTZCN-UHFFFAOYSA-N 1 2 346.500 2.232 10 30 EEEELO C#CCOCCC(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2C/C(Cl)=C\Cl ZINC001672524112 1356544441 /nfs/dbraw/zinc/54/44/41/1356544441.db2.gz YYHNFBPSGBQCGA-URQVRESPSA-N 1 2 345.270 2.411 10 30 EEEELO C#CCOCCC(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2C/C(Cl)=C\Cl ZINC001672524112 1356544448 /nfs/dbraw/zinc/54/44/48/1356544448.db2.gz YYHNFBPSGBQCGA-URQVRESPSA-N 1 2 345.270 2.411 10 30 EEEELO COCC#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)C(C)(C)C ZINC001674271228 1356809666 /nfs/dbraw/zinc/80/96/66/1356809666.db2.gz CWALUAAWJPGXOH-GOSISDBHSA-N 1 2 328.456 2.398 10 30 EEEELO COCC#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)C(C)(C)C ZINC001674271228 1356809671 /nfs/dbraw/zinc/80/96/71/1356809671.db2.gz CWALUAAWJPGXOH-GOSISDBHSA-N 1 2 328.456 2.398 10 30 EEEELO C=CCCC(=O)N(C)C[C@@H](C)NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001679928407 1357773923 /nfs/dbraw/zinc/77/39/23/1357773923.db2.gz SJHBVCGJHAKFRZ-OAHLLOKOSA-N 1 2 342.443 2.115 10 30 EEEELO C=CCCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001683932970 1358209363 /nfs/dbraw/zinc/20/93/63/1358209363.db2.gz QGGCVNUGDIISRJ-NUEKZKHPSA-N 1 2 332.448 2.098 10 30 EEEELO C=CCCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001683932970 1358209366 /nfs/dbraw/zinc/20/93/66/1358209366.db2.gz QGGCVNUGDIISRJ-NUEKZKHPSA-N 1 2 332.448 2.098 10 30 EEEELO C=CCCCC(=O)N1CC[C@@]2(CNC(=O)Cc3c[nH]c[nH+]3)CCC[C@@H]12 ZINC001685930235 1358351258 /nfs/dbraw/zinc/35/12/58/1358351258.db2.gz WAERHGOKRRESGF-VQIMIIECSA-N 1 2 344.459 2.196 10 30 EEEELO C=C[C@](C)(CC)C(=O)N1CCCC[C@@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC001688079382 1358767910 /nfs/dbraw/zinc/76/79/10/1358767910.db2.gz HFEDXUUHKTUDHW-DNVCBOLYSA-N 1 2 346.475 2.442 10 30 EEEELO CC(C)(C)C#CC(=O)N[C@@H]1[C@@H]2CCC[N@H+](Cc3cnon3)[C@@H]2C1(C)C ZINC001692139376 1404990927 /nfs/dbraw/zinc/99/09/27/1404990927.db2.gz HNMDSELNONEOAO-UAGQMJEPSA-N 1 2 344.459 2.224 10 30 EEEELO CC(C)(C)C#CC(=O)N[C@@H]1[C@@H]2CCC[N@@H+](Cc3cnon3)[C@@H]2C1(C)C ZINC001692139376 1404990939 /nfs/dbraw/zinc/99/09/39/1404990939.db2.gz HNMDSELNONEOAO-UAGQMJEPSA-N 1 2 344.459 2.224 10 30 EEEELO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CC[C@H]1CNC(=O)C1(C)CC=CC1 ZINC001699631145 1405425541 /nfs/dbraw/zinc/42/55/41/1405425541.db2.gz AKVFBLWPASKFQZ-SJORKVTESA-N 1 2 347.503 2.346 10 30 EEEELO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CC[C@H]1CNC(=O)C1(C)CC=CC1 ZINC001699631145 1405425543 /nfs/dbraw/zinc/42/55/43/1405425543.db2.gz AKVFBLWPASKFQZ-SJORKVTESA-N 1 2 347.503 2.346 10 30 EEEELO C#Cc1ccccc1CC(=O)N[C@]1(C)CC[N@@H+](Cc2ncc(C)cn2)C1 ZINC001699826103 1405512220 /nfs/dbraw/zinc/51/22/20/1405512220.db2.gz ZICQRTIDNXSVOY-OAQYLSRUSA-N 1 2 348.450 2.090 10 30 EEEELO C#Cc1ccccc1CC(=O)N[C@]1(C)CC[N@H+](Cc2ncc(C)cn2)C1 ZINC001699826103 1405512222 /nfs/dbraw/zinc/51/22/22/1405512222.db2.gz ZICQRTIDNXSVOY-OAQYLSRUSA-N 1 2 348.450 2.090 10 30 EEEELO C=C[C@@](C)(O)CC(=O)NC[C@H]1C[N@H+](CC(=C)Cl)CCC1(F)F ZINC001699890818 1405554510 /nfs/dbraw/zinc/55/45/10/1405554510.db2.gz WEQDWOVAOAIIPB-GXTWGEPZSA-N 1 2 336.810 2.139 10 30 EEEELO C=C[C@@](C)(O)CC(=O)NC[C@H]1C[N@@H+](CC(=C)Cl)CCC1(F)F ZINC001699890818 1405554511 /nfs/dbraw/zinc/55/45/11/1405554511.db2.gz WEQDWOVAOAIIPB-GXTWGEPZSA-N 1 2 336.810 2.139 10 30 EEEELO C[N@@H+]1CCN(S(=O)(=O)c2ccc(C#N)c(F)c2)C[C@@H]1C(C)(C)C ZINC000919603946 770083455 /nfs/dbraw/zinc/08/34/55/770083455.db2.gz LPBWGDXEILTXLG-OAHLLOKOSA-N 1 2 339.436 2.048 10 30 EEEELO C[N@H+]1CCN(S(=O)(=O)c2ccc(C#N)c(F)c2)C[C@@H]1C(C)(C)C ZINC000919603946 770083470 /nfs/dbraw/zinc/08/34/70/770083470.db2.gz LPBWGDXEILTXLG-OAHLLOKOSA-N 1 2 339.436 2.048 10 30 EEEELO C#CCCc1noc([C@@H]2CCC(=O)N(CCC)[C@H]2c2c[nH+]cn2C)n1 ZINC000809397216 783090089 /nfs/dbraw/zinc/09/00/89/783090089.db2.gz YWTMBLYEZBZJSE-CXAGYDPISA-N 1 2 341.415 2.226 10 30 EEEELO CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCCC[C@H]3CC)CC2)C1 ZINC000941623485 780842411 /nfs/dbraw/zinc/84/24/11/780842411.db2.gz WQHLECHHXGVJJL-IEBWSBKVSA-N 1 2 331.504 2.055 10 30 EEEELO Cc1nc(N2CCN(C(=O)[C@]3(C#N)CC4CCC3CC4)CC2)cc[nH+]1 ZINC000907374699 784572471 /nfs/dbraw/zinc/57/24/71/784572471.db2.gz VGUOKNPMFABULQ-RJYAGPCLSA-N 1 2 339.443 2.154 10 30 EEEELO C#Cc1ccc(S(=O)(=O)N2CCC(Nc3cccc[nH+]3)CC2)cc1 ZINC000907406892 784594294 /nfs/dbraw/zinc/59/42/94/784594294.db2.gz KWSBPBVTJAGJDH-UHFFFAOYSA-N 1 2 341.436 2.328 10 30 EEEELO N#C[C@@]1(C(=O)N2CCC[C@H]([NH+]3CCOCC3)C2)CC2CCC1CC2 ZINC000908534401 785498006 /nfs/dbraw/zinc/49/80/06/785498006.db2.gz RGWXJGZHSGMUGB-AKSNENBUSA-N 1 2 331.460 2.030 10 30 EEEELO C#CC[NH+]1CCC(C(=O)OCC(=O)c2sccc2Cl)CC1 ZINC000909006705 785905908 /nfs/dbraw/zinc/90/59/08/785905908.db2.gz IFFKUUYDJDDLBA-UHFFFAOYSA-N 1 2 325.817 2.473 10 30 EEEELO Cc1ccc(C(=O)/C=C/C(=O)NC(C)(C)CC[NH+]2CCOCC2)cc1 ZINC000912949132 788511122 /nfs/dbraw/zinc/51/11/22/788511122.db2.gz OVKHDNUNPQYHDR-CMDGGOBGSA-N 1 2 344.455 2.351 10 30 EEEELO C=CCOC(=O)N1CCC(OC(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC000845547583 789853814 /nfs/dbraw/zinc/85/38/14/789853814.db2.gz SOMMCUPLVYPANI-UHFFFAOYSA-N 1 2 347.415 2.092 10 30 EEEELO Cc1ccc(CNC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1C#N ZINC000921629122 790157142 /nfs/dbraw/zinc/15/71/42/790157142.db2.gz JPMDZBMTHWXAEM-QGZVFWFLSA-N 1 2 335.411 2.340 10 30 EEEELO C#CC[N@H+]1CCC[C@H](NC(=O)C[C@H]2CCc3sccc3C2=O)C1 ZINC000923598019 797596991 /nfs/dbraw/zinc/59/69/91/797596991.db2.gz REAQBUXCOHDEBR-KGLIPLIRSA-N 1 2 330.453 2.097 10 30 EEEELO C#CC[N@@H+]1CCC[C@H](NC(=O)C[C@H]2CCc3sccc3C2=O)C1 ZINC000923598019 797596994 /nfs/dbraw/zinc/59/69/94/797596994.db2.gz REAQBUXCOHDEBR-KGLIPLIRSA-N 1 2 330.453 2.097 10 30 EEEELO N#Cc1ccc([C@H](O)C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)cc1 ZINC001175874695 798275767 /nfs/dbraw/zinc/27/57/67/798275767.db2.gz WURYBZWAJBHQAE-OALUTQOASA-N 1 2 346.390 2.346 10 30 EEEELO Cn1cc[nH+]c1C[C@@H](NC(=O)Cc1ccc(C#N)nc1)c1ccccc1 ZINC001131586728 813003982 /nfs/dbraw/zinc/00/39/82/813003982.db2.gz HJOJWIWCDGMKQD-GOSISDBHSA-N 1 2 345.406 2.329 10 30 EEEELO C=CCCC(=O)N1CC2(C[C@H]1C)CC[NH+](Cc1ncnn1CC)CC2 ZINC001565923205 1125458615 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FXRDNZFHAOLOBN-PMACEKPBSA-N 1 2 331.419 2.309 10 30 EEEELO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2ccc(CC(C)C)cc2)C1 ZINC001665457071 1355313192 /nfs/dbraw/zinc/31/31/92/1355313192.db2.gz FYNRSZFZUTWDCQ-QGZVFWFLSA-N 1 2 334.485 2.261 10 30 EEEELO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2ccc(CC(C)C)cc2)C1 ZINC001665457071 1355313194 /nfs/dbraw/zinc/31/31/94/1355313194.db2.gz FYNRSZFZUTWDCQ-QGZVFWFLSA-N 1 2 334.485 2.261 10 30 EEEELO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[C@@H]2OCCc3ccccc32)C1 ZINC001666729505 1355578593 /nfs/dbraw/zinc/57/85/93/1355578593.db2.gz IAMDCURZGZLDMG-HKUYNNGSSA-N 1 2 344.455 2.084 10 30 EEEELO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)C[C@@H]2OCCc3ccccc32)C1 ZINC001666729505 1355578599 /nfs/dbraw/zinc/57/85/99/1355578599.db2.gz IAMDCURZGZLDMG-HKUYNNGSSA-N 1 2 344.455 2.084 10 30 EEEELO C=CC[N@@H+]1CCO[C@@H](CNC(=O)CCc2cccc(OCC)c2)C1 ZINC001666734679 1355582547 /nfs/dbraw/zinc/58/25/47/1355582547.db2.gz NVRHNWBTVOYSNA-SFHVURJKSA-N 1 2 332.444 2.021 10 30 EEEELO C=CC[N@H+]1CCO[C@@H](CNC(=O)CCc2cccc(OCC)c2)C1 ZINC001666734679 1355582554 /nfs/dbraw/zinc/58/25/54/1355582554.db2.gz NVRHNWBTVOYSNA-SFHVURJKSA-N 1 2 332.444 2.021 10 30 EEEELO C#CCN(C(=O)C1=COCCC1)C1CC[NH+](Cc2nocc2C)CC1 ZINC001671460646 1356342717 /nfs/dbraw/zinc/34/27/17/1356342717.db2.gz JHVLIPOOGMKWHT-UHFFFAOYSA-N 1 2 343.427 2.104 10 30 EEEELO C#CCCCCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nnc(CC)o1 ZINC001671577976 1356365901 /nfs/dbraw/zinc/36/59/01/1356365901.db2.gz VRGJDEQEFHYRMC-CVEARBPZSA-N 1 2 344.459 2.391 10 30 EEEELO C#CCCCCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1nnc(CC)o1 ZINC001671577976 1356365907 /nfs/dbraw/zinc/36/59/07/1356365907.db2.gz VRGJDEQEFHYRMC-CVEARBPZSA-N 1 2 344.459 2.391 10 30 EEEELO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)CC/C=C/c1ccccc1)CO2 ZINC001673570178 1356712212 /nfs/dbraw/zinc/71/22/12/1356712212.db2.gz IWPBKJRYCYVGRR-SSVWKNEZSA-N 1 2 338.451 2.463 10 30 EEEELO C=CCC(C)(C)C(=O)N[C@H]1CC[N@@H+](Cc2cn(CC)nn2)[C@H](C)C1 ZINC001674148398 1356799141 /nfs/dbraw/zinc/79/91/41/1356799141.db2.gz WIPOUKQSAIXVTN-CABCVRRESA-N 1 2 333.480 2.369 10 30 EEEELO C=CCC(C)(C)C(=O)N[C@H]1CC[N@H+](Cc2cn(CC)nn2)[C@H](C)C1 ZINC001674148398 1356799143 /nfs/dbraw/zinc/79/91/43/1356799143.db2.gz WIPOUKQSAIXVTN-CABCVRRESA-N 1 2 333.480 2.369 10 30 EEEELO C=C(C)C[NH+]1CC(CCO)(NC(=O)c2coc3c2cccc3C)C1 ZINC001675080407 1356932105 /nfs/dbraw/zinc/93/21/05/1356932105.db2.gz ABMKGNHMHKFQAS-UHFFFAOYSA-N 1 2 328.412 2.484 10 30 EEEELO C=C(C)C[NH+]1CC(CCO)(NC(=O)C[C@@H](C)c2ccccc2OC)C1 ZINC001675110583 1356934768 /nfs/dbraw/zinc/93/47/68/1356934768.db2.gz HGQIHHHPXSJNPG-MRXNPFEDSA-N 1 2 346.471 2.318 10 30 EEEELO C=C(C)CCC(=O)N1CCC([C@H](C)NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001681159347 1357957974 /nfs/dbraw/zinc/95/79/74/1357957974.db2.gz NICNMZVWMCBORO-AWEZNQCLSA-N 1 2 332.448 2.052 10 30 EEEELO C=CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001682144389 1358147514 /nfs/dbraw/zinc/14/75/14/1358147514.db2.gz XPTWZOQWSGDEOF-HIFRSBDPSA-N 1 2 346.475 2.074 10 30 EEEELO C=CCCC(=O)N[C@@H]1[C@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)[C@H]2C1(C)C ZINC001684822117 1358283532 /nfs/dbraw/zinc/28/35/32/1358283532.db2.gz WZPSJHVHIURCEG-ZTFGCOKTSA-N 1 2 344.459 2.050 10 30 EEEELO C=CCCC(=O)N[C@H](C)[C@@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001688084341 1358772025 /nfs/dbraw/zinc/77/20/25/1358772025.db2.gz XYPWUBYTAGYKQD-HUUCEWRRSA-N 1 2 346.475 2.397 10 30 EEEELO C=C[C@](C)(CC)C(=O)NC[C@@H]1CCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001688454176 1358969852 /nfs/dbraw/zinc/96/98/52/1358969852.db2.gz XWNRVRKMTRWWGH-IFXJQAMLSA-N 1 2 346.475 2.397 10 30 EEEELO CC(C)C#CC(=O)N[C@@H]1[C@@H]2CCC[N@H+](Cc3cnns3)[C@H]2C1(C)C ZINC001692139480 1404990891 /nfs/dbraw/zinc/99/08/91/1404990891.db2.gz INMXBJZKVJSPNT-USXIJHARSA-N 1 2 346.500 2.303 10 30 EEEELO CC(C)C#CC(=O)N[C@@H]1[C@@H]2CCC[N@@H+](Cc3cnns3)[C@H]2C1(C)C ZINC001692139480 1404990901 /nfs/dbraw/zinc/99/09/01/1404990901.db2.gz INMXBJZKVJSPNT-USXIJHARSA-N 1 2 346.500 2.303 10 30 EEEELO C=CCCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC(=O)N([C@H](C)C1CC1)C1CC1 ZINC001692358715 1405006056 /nfs/dbraw/zinc/00/60/56/1405006056.db2.gz ZOXMZBMPEFTJOC-JLSDUUJJSA-N 1 2 345.487 2.027 10 30 EEEELO C=CCCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC(=O)N([C@H](C)C1CC1)C1CC1 ZINC001692358715 1405006065 /nfs/dbraw/zinc/00/60/65/1405006065.db2.gz ZOXMZBMPEFTJOC-JLSDUUJJSA-N 1 2 345.487 2.027 10 30 EEEELO C=CCCCC(=O)N[C@H]1CC[N@H+](CC(=O)NCC2CCCCC2)C1 ZINC001698547272 1405006365 /nfs/dbraw/zinc/00/63/65/1405006365.db2.gz YXUBYRYMSFCBGH-KRWDZBQOSA-N 1 2 335.492 2.230 10 30 EEEELO C=CCCCC(=O)N[C@H]1CC[N@@H+](CC(=O)NCC2CCCCC2)C1 ZINC001698547272 1405006374 /nfs/dbraw/zinc/00/63/74/1405006374.db2.gz YXUBYRYMSFCBGH-KRWDZBQOSA-N 1 2 335.492 2.230 10 30 EEEELO CN(CC[N@H+](C)Cc1nc2ccccc2o1)C(=O)c1ccc(C#N)[nH]1 ZINC001698986028 1405203424 /nfs/dbraw/zinc/20/34/24/1405203424.db2.gz RGQKSFDVLFUTAZ-UHFFFAOYSA-N 1 2 337.383 2.232 10 30 EEEELO CN(CC[N@@H+](C)Cc1nc2ccccc2o1)C(=O)c1ccc(C#N)[nH]1 ZINC001698986028 1405203432 /nfs/dbraw/zinc/20/34/32/1405203432.db2.gz RGQKSFDVLFUTAZ-UHFFFAOYSA-N 1 2 337.383 2.232 10 30 EEEELO C=C[C@](C)(O)CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cncc(C)c1 ZINC001699688726 1405443275 /nfs/dbraw/zinc/44/32/75/1405443275.db2.gz RQGKNMWHSCWWTP-NSHGMRRFSA-N 1 2 343.471 2.282 10 30 EEEELO C=C[C@](C)(O)CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cncc(C)c1 ZINC001699688726 1405443278 /nfs/dbraw/zinc/44/32/78/1405443278.db2.gz RQGKNMWHSCWWTP-NSHGMRRFSA-N 1 2 343.471 2.282 10 30 EEEELO C[N@@H+]1CCN(S(=O)(=O)c2ccc(F)c(C#N)c2)C[C@H]1C(C)(C)C ZINC000919590784 770061679 /nfs/dbraw/zinc/06/16/79/770061679.db2.gz LFDHKIWMTJVKPK-HNNXBMFYSA-N 1 2 339.436 2.048 10 30 EEEELO C[N@H+]1CCN(S(=O)(=O)c2ccc(F)c(C#N)c2)C[C@H]1C(C)(C)C ZINC000919590784 770061691 /nfs/dbraw/zinc/06/16/91/770061691.db2.gz LFDHKIWMTJVKPK-HNNXBMFYSA-N 1 2 339.436 2.048 10 30 EEEELO N#Cc1ccc(N2CC[NH+](C[C@H](O)c3ccccc3Cl)CC2)nc1 ZINC000060480524 790394611 /nfs/dbraw/zinc/39/46/11/790394611.db2.gz JFTICPAWKGEQSE-KRWDZBQOSA-N 1 2 342.830 2.462 10 30 EEEELO C=CCCn1cc(C[NH2+][C@@H](C)c2cccc(NS(C)(=O)=O)c2)nn1 ZINC000846852044 790678158 /nfs/dbraw/zinc/67/81/58/790678158.db2.gz VMILQILKOPOWIP-ZDUSSCGKSA-N 1 2 349.460 2.077 10 30 EEEELO C=C1CC(C)(C(=O)N[C@@H]2CC[N@@H+](Cc3nccn3C)CC2(C)C)C1 ZINC000941016137 779709269 /nfs/dbraw/zinc/70/92/69/779709269.db2.gz CKXXJAOICIJSRY-OAHLLOKOSA-N 1 2 330.476 2.493 10 30 EEEELO C=C1CC(C)(C(=O)N[C@@H]2CC[N@H+](Cc3nccn3C)CC2(C)C)C1 ZINC000941016137 779709275 /nfs/dbraw/zinc/70/92/75/779709275.db2.gz CKXXJAOICIJSRY-OAHLLOKOSA-N 1 2 330.476 2.493 10 30 EEEELO C=C1CC(C)(C(=O)N[C@@H]2CC[N@@H+](Cc3nonc3C)CC2(C)C)C1 ZINC000941016685 779710745 /nfs/dbraw/zinc/71/07/45/779710745.db2.gz IOAGQTFJTVMVIE-OAHLLOKOSA-N 1 2 332.448 2.451 10 30 EEEELO C=C1CC(C)(C(=O)N[C@@H]2CC[N@H+](Cc3nonc3C)CC2(C)C)C1 ZINC000941016685 779710751 /nfs/dbraw/zinc/71/07/51/779710751.db2.gz IOAGQTFJTVMVIE-OAHLLOKOSA-N 1 2 332.448 2.451 10 30 EEEELO CC#CC[NH+]1CC(N2CCN(C(=O)C(C)(C)C3CCCC3)CC2)C1 ZINC000941437697 780520436 /nfs/dbraw/zinc/52/04/36/780520436.db2.gz CCEYEVJDQMVDFU-UHFFFAOYSA-N 1 2 331.504 2.055 10 30 EEEELO CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCCC[C@H]3C3CC3)CC2)C1 ZINC000941498870 780610321 /nfs/dbraw/zinc/61/03/21/780610321.db2.gz JEEDCDZEVICLSE-VQTJNVASSA-N 1 2 343.515 2.055 10 30 EEEELO C=CC(C)(C)C(=O)N1CCN(C2C[NH+](Cc3ccccc3F)C2)CC1 ZINC000941515644 780644962 /nfs/dbraw/zinc/64/49/62/780644962.db2.gz AVCYCBWYDXKXFA-UHFFFAOYSA-N 1 2 345.462 2.366 10 30 EEEELO C#CC[NH+]1CC(N2CCN(C(=O)c3ccc([C@H](C)CC)cc3)CC2)C1 ZINC000941675323 780890787 /nfs/dbraw/zinc/89/07/87/780890787.db2.gz ZCYVZDYTMGTTKM-QGZVFWFLSA-N 1 2 339.483 2.275 10 30 EEEELO Cc1cc(C(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)cc(C)c1C#N ZINC000908143371 785122327 /nfs/dbraw/zinc/12/23/27/785122327.db2.gz BAVLPZPBXNARAT-WBVHZDCISA-N 1 2 327.428 2.110 10 30 EEEELO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cccc(C(=O)c3ccco3)c2)C1 ZINC000923558951 789767623 /nfs/dbraw/zinc/76/76/23/789767623.db2.gz ZTEAXFBCMQRNJJ-QGZVFWFLSA-N 1 2 336.391 2.338 10 30 EEEELO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(C(=O)c3ccco3)c2)C1 ZINC000923558951 789767625 /nfs/dbraw/zinc/76/76/25/789767625.db2.gz ZTEAXFBCMQRNJJ-QGZVFWFLSA-N 1 2 336.391 2.338 10 30 EEEELO Cn1cc[nH+]c1[C@H]1CCCN(S(=O)(=O)CC2(C#N)CCCC2)C1 ZINC000443955082 796292004 /nfs/dbraw/zinc/29/20/04/796292004.db2.gz BKKKYAKKTMFPGO-AWEZNQCLSA-N 1 2 336.461 2.013 10 30 EEEELO C#CCN(CC#CC)C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000785929708 806623019 /nfs/dbraw/zinc/62/30/19/806623019.db2.gz JLNIFQOWZGYQSM-UHFFFAOYSA-N 1 2 343.858 2.366 10 30 EEEELO C#CCN(CC#CC)C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000785929708 806623023 /nfs/dbraw/zinc/62/30/23/806623023.db2.gz JLNIFQOWZGYQSM-UHFFFAOYSA-N 1 2 343.858 2.366 10 30 EEEELO N#Cc1ccc([C@@H](O)C(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)cc1 ZINC001175874697 798275737 /nfs/dbraw/zinc/27/57/37/798275737.db2.gz WURYBZWAJBHQAE-RTBURBONSA-N 1 2 346.390 2.346 10 30 EEEELO C#Cc1cccc(NC(=O)C[N@@H+](C)C[C@@H]2CCCCN2C(=O)CC)c1 ZINC001566117662 1125566794 /nfs/dbraw/zinc/56/67/94/1125566794.db2.gz RCBCLKYYJUZQFU-SFHVURJKSA-N 1 2 341.455 2.329 10 30 EEEELO C#Cc1cccc(NC(=O)C[N@H+](C)C[C@@H]2CCCCN2C(=O)CC)c1 ZINC001566117662 1125566798 /nfs/dbraw/zinc/56/67/98/1125566798.db2.gz RCBCLKYYJUZQFU-SFHVURJKSA-N 1 2 341.455 2.329 10 30 EEEELO C=C(Br)C[NH2+]C[C@@H](C)N(C)C(=O)C(F)C(F)(F)F ZINC001438654371 1091141096 /nfs/dbraw/zinc/14/10/96/1091141096.db2.gz PZAIMPMNEVOHOF-HTQZYQBOSA-N 1 2 335.139 2.232 10 30 EEEELO C=C(Br)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](F)C(F)(F)F ZINC001438654371 1091141100 /nfs/dbraw/zinc/14/11/00/1091141100.db2.gz PZAIMPMNEVOHOF-HTQZYQBOSA-N 1 2 335.139 2.232 10 30 EEEELO CN(CC[N@H+](C)Cc1ccc(C#N)cc1F)C(=O)COC(C)(C)C ZINC001438865981 1091501508 /nfs/dbraw/zinc/50/15/08/1091501508.db2.gz LKVWFRBFZVLDLA-UHFFFAOYSA-N 1 2 335.423 2.403 10 30 EEEELO CN(CC[N@@H+](C)Cc1ccc(C#N)cc1F)C(=O)COC(C)(C)C ZINC001438865981 1091501512 /nfs/dbraw/zinc/50/15/12/1091501512.db2.gz LKVWFRBFZVLDLA-UHFFFAOYSA-N 1 2 335.423 2.403 10 30 EEEELO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCCN1C(=O)C(C)(C)C ZINC001445716985 1091530322 /nfs/dbraw/zinc/53/03/22/1091530322.db2.gz AMBFAVXDCSPOTE-KGLIPLIRSA-N 1 2 343.899 2.213 10 30 EEEELO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCCN1C(=O)C(C)(C)C ZINC001445716985 1091530327 /nfs/dbraw/zinc/53/03/27/1091530327.db2.gz AMBFAVXDCSPOTE-KGLIPLIRSA-N 1 2 343.899 2.213 10 30 EEEELO C[C@H](C[N@H+](C)Cc1ccncc1Cl)NC(=O)c1c[nH]c(C#N)c1 ZINC001439320254 1091992603 /nfs/dbraw/zinc/99/26/03/1091992603.db2.gz QDJIONKXGONWCK-LLVKDONJSA-N 1 2 331.807 2.185 10 30 EEEELO C[C@H](C[N@@H+](C)Cc1ccncc1Cl)NC(=O)c1c[nH]c(C#N)c1 ZINC001439320254 1091992610 /nfs/dbraw/zinc/99/26/10/1091992610.db2.gz QDJIONKXGONWCK-LLVKDONJSA-N 1 2 331.807 2.185 10 30 EEEELO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)[C@H](C)c1c(C)nn(C)c1C ZINC001439424825 1092191623 /nfs/dbraw/zinc/19/16/23/1092191623.db2.gz VCHVQAHWDNEHKW-VXGBXAGGSA-N 1 2 326.872 2.329 10 30 EEEELO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)[C@H](C)c1c(C)nn(C)c1C ZINC001439424825 1092191627 /nfs/dbraw/zinc/19/16/27/1092191627.db2.gz VCHVQAHWDNEHKW-VXGBXAGGSA-N 1 2 326.872 2.329 10 30 EEEELO CCC(CC)C(=O)NC[C@@]1(O)CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001439975141 1093093378 /nfs/dbraw/zinc/09/33/78/1093093378.db2.gz ASVYTRGIHZZUJG-IBGZPJMESA-N 1 2 347.434 2.187 10 30 EEEELO CCC(CC)C(=O)NC[C@@]1(O)CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001439975141 1093093383 /nfs/dbraw/zinc/09/33/83/1093093383.db2.gz ASVYTRGIHZZUJG-IBGZPJMESA-N 1 2 347.434 2.187 10 30 EEEELO CC(C)N(CC[N@H+](C)Cc1ccccc1C#N)C(=O)C1=COCCO1 ZINC001442088122 1096306479 /nfs/dbraw/zinc/30/64/79/1096306479.db2.gz AANVMVGZNORQSR-UHFFFAOYSA-N 1 2 343.427 2.115 10 30 EEEELO CC(C)N(CC[N@@H+](C)Cc1ccccc1C#N)C(=O)C1=COCCO1 ZINC001442088122 1096306483 /nfs/dbraw/zinc/30/64/83/1096306483.db2.gz AANVMVGZNORQSR-UHFFFAOYSA-N 1 2 343.427 2.115 10 30 EEEELO C[C@@H](C#N)C(=O)N[C@@H](C[NH2+]Cc1nc(C(C)(C)C)no1)C(C)(C)C ZINC001442142870 1096390202 /nfs/dbraw/zinc/39/02/02/1096390202.db2.gz JTUAMJKDOUQVGB-RYUDHWBXSA-N 1 2 335.452 2.147 10 30 EEEELO C[C@H](c1csnn1)[NH+]1CCC(C2(NC(=O)[C@@H](C)C#N)CC2)CC1 ZINC001442278704 1096589348 /nfs/dbraw/zinc/58/93/48/1096589348.db2.gz UHQLGFKQZMHCLJ-NWDGAFQWSA-N 1 2 333.461 2.120 10 30 EEEELO CC[N@H+](CCNC(=O)c1c[nH]c(C#N)c1)Cc1cc(F)ccc1C#N ZINC001442655206 1097022816 /nfs/dbraw/zinc/02/28/16/1097022816.db2.gz ZGIBRBMNWLDTCX-UHFFFAOYSA-N 1 2 339.374 2.149 10 30 EEEELO CC[N@@H+](CCNC(=O)c1c[nH]c(C#N)c1)Cc1cc(F)ccc1C#N ZINC001442655206 1097022822 /nfs/dbraw/zinc/02/28/22/1097022822.db2.gz ZGIBRBMNWLDTCX-UHFFFAOYSA-N 1 2 339.374 2.149 10 30 EEEELO C=C(Cl)C[NH+]1CC(CNC(=O)C2(C(F)(F)F)CCOCC2)C1 ZINC001443580830 1098074871 /nfs/dbraw/zinc/07/48/71/1098074871.db2.gz ROFSSYLZGNCQRC-UHFFFAOYSA-N 1 2 340.773 2.146 10 30 EEEELO CC(C)C#CC(=O)N(C)CCOCC[N@H+](C)Cc1ncc(C2CC2)o1 ZINC001479677452 1098731262 /nfs/dbraw/zinc/73/12/62/1098731262.db2.gz OMIVXVZIMHXUNV-UHFFFAOYSA-N 1 2 347.459 2.118 10 30 EEEELO 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2.172 10 30 EEEELO C=CC[C@@H](C(=O)N[C@H](C)C[NH2+]Cc1nnc(C)o1)c1ccccc1 ZINC001569038611 1125058479 /nfs/dbraw/zinc/05/84/79/1125058479.db2.gz OEPVORNNSNCXKQ-CZUORRHYSA-N 1 2 328.416 2.332 10 30 EEEELO CC(C)(C)C#CC(=O)N[C@@H](C[NH2+]Cc1nc(C2CCC2)no1)C1CC1 ZINC001569302983 1125219057 /nfs/dbraw/zinc/21/90/57/1125219057.db2.gz GSUHTGSZPBPYCK-HNNXBMFYSA-N 1 2 344.459 2.371 10 30 EEEELO CNC(=O)[C@@H]1CCCN1C(=O)N[C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000328852732 539762156 /nfs/dbraw/zinc/76/21/56/539762156.db2.gz SJGSKTMAHSWAFF-OLZOCXBDSA-N 1 2 347.463 2.460 10 30 EEEELO Cc1cc(C)n(C[C@@H]2C[N@H+](CCOc3ccccc3C#N)CCO2)n1 ZINC000069349911 202274126 /nfs/dbraw/zinc/27/41/26/202274126.db2.gz IWEZQCLSMZVLCF-SFHVURJKSA-N 1 2 340.427 2.151 10 30 EEEELO Cc1cc(C)n(C[C@@H]2C[N@@H+](CCOc3ccccc3C#N)CCO2)n1 ZINC000069349911 202274128 /nfs/dbraw/zinc/27/41/28/202274128.db2.gz IWEZQCLSMZVLCF-SFHVURJKSA-N 1 2 340.427 2.151 10 30 EEEELO CC[C@@H](C(=O)NCc1ccc(C#N)c(OC)c1)[N@@H+]1CCO[C@H](CC)C1 ZINC000427150839 241383920 /nfs/dbraw/zinc/38/39/20/241383920.db2.gz RZOXUCAHWJMAPY-SJORKVTESA-N 1 2 345.443 2.072 10 30 EEEELO CC[C@@H](C(=O)NCc1ccc(C#N)c(OC)c1)[N@H+]1CCO[C@H](CC)C1 ZINC000427150839 241383926 /nfs/dbraw/zinc/38/39/26/241383926.db2.gz RZOXUCAHWJMAPY-SJORKVTESA-N 1 2 345.443 2.072 10 30 EEEELO N#Cc1ccsc1C(=O)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000069664790 203035127 /nfs/dbraw/zinc/03/51/27/203035127.db2.gz FGQUFYPMNZVQRR-MRXNPFEDSA-N 1 2 341.436 2.111 10 30 EEEELO C#CC[N@H+]1CCCC[C@@H]1C(=O)Nc1cc(C(=O)NC2CC2)ccc1C ZINC000069415000 203075357 /nfs/dbraw/zinc/07/53/57/203075357.db2.gz FEIFGAAONHHRLX-GOSISDBHSA-N 1 2 339.439 2.313 10 30 EEEELO C#CC[N@@H+]1CCCC[C@@H]1C(=O)Nc1cc(C(=O)NC2CC2)ccc1C ZINC000069415000 203075359 /nfs/dbraw/zinc/07/53/59/203075359.db2.gz FEIFGAAONHHRLX-GOSISDBHSA-N 1 2 339.439 2.313 10 30 EEEELO COc1ccc([C@H](C[NH+]2CCOCC2)Nc2ncccc2C#N)cc1 ZINC000071841040 203125843 /nfs/dbraw/zinc/12/58/43/203125843.db2.gz HOXGCGGTTKKQOY-SFHVURJKSA-N 1 2 338.411 2.447 10 30 EEEELO Cc1oc(NC(=O)C[NH+]2CCC(Cn3cccn3)CC2)c(C#N)c1C ZINC000105886724 204175689 /nfs/dbraw/zinc/17/56/89/204175689.db2.gz ZFXBNCLEDVOAAY-UHFFFAOYSA-N 1 2 341.415 2.315 10 30 EEEELO Cc1ncc(CN2CC[NH+](C[C@H](O)c3ccc(C#N)cc3)CC2)s1 ZINC000127424565 205100526 /nfs/dbraw/zinc/10/05/26/205100526.db2.gz JZWAWNHKJCVABK-SFHVURJKSA-N 1 2 342.468 2.174 10 30 EEEELO Cc1ncc(C[NH+]2CCN(C[C@H](O)c3ccc(C#N)cc3)CC2)s1 ZINC000127424565 205100531 /nfs/dbraw/zinc/10/05/31/205100531.db2.gz JZWAWNHKJCVABK-SFHVURJKSA-N 1 2 342.468 2.174 10 30 EEEELO Cc1ccc(C)c(C[N@H+](C)CCS(=O)(=O)c2ccc(C#N)cn2)c1 ZINC000343946089 161183076 /nfs/dbraw/zinc/18/30/76/161183076.db2.gz YNNAFYMHDJPBGI-UHFFFAOYSA-N 1 2 343.452 2.476 10 30 EEEELO Cc1ccc(C)c(C[N@@H+](C)CCS(=O)(=O)c2ccc(C#N)cn2)c1 ZINC000343946089 161183077 /nfs/dbraw/zinc/18/30/77/161183077.db2.gz YNNAFYMHDJPBGI-UHFFFAOYSA-N 1 2 343.452 2.476 10 30 EEEELO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000359776912 164169750 /nfs/dbraw/zinc/16/97/50/164169750.db2.gz CSSXQENKPFCMLR-LLVKDONJSA-N 1 2 336.461 2.231 10 30 EEEELO CCC[N@@H+](CC)C[C@@H](C)NC(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000359776912 164169751 /nfs/dbraw/zinc/16/97/51/164169751.db2.gz CSSXQENKPFCMLR-LLVKDONJSA-N 1 2 336.461 2.231 10 30 EEEELO N#Cc1cccc(NC(=O)C[N@@H+]2CC[C@H](c3nc(C4CC4)no3)C2)c1 ZINC000375467565 167139881 /nfs/dbraw/zinc/13/98/81/167139881.db2.gz YKTXYADUFSNUAA-AWEZNQCLSA-N 1 2 337.383 2.247 10 30 EEEELO N#Cc1cccc(NC(=O)C[N@H+]2CC[C@H](c3nc(C4CC4)no3)C2)c1 ZINC000375467565 167139884 /nfs/dbraw/zinc/13/98/84/167139884.db2.gz YKTXYADUFSNUAA-AWEZNQCLSA-N 1 2 337.383 2.247 10 30 EEEELO C#CCCOc1ccc(C[N@@H+]2CCO[C@H](Cn3cccn3)C2)cc1 ZINC000122258352 222048034 /nfs/dbraw/zinc/04/80/34/222048034.db2.gz ILUDLVMKBHYGIM-IBGZPJMESA-N 1 2 325.412 2.186 10 30 EEEELO C#CCCOc1ccc(C[N@H+]2CCO[C@H](Cn3cccn3)C2)cc1 ZINC000122258352 222048038 /nfs/dbraw/zinc/04/80/38/222048038.db2.gz ILUDLVMKBHYGIM-IBGZPJMESA-N 1 2 325.412 2.186 10 30 EEEELO CCO[C@@H]1C[C@H](O)C12CC[NH+](Cc1c(C#N)cccc1[N+](=O)[O-])CC2 ZINC000459341755 267153753 /nfs/dbraw/zinc/15/37/53/267153753.db2.gz OHPHZGKBKXNJJL-DLBZAZTESA-N 1 2 345.399 2.218 10 30 EEEELO Cc1ncc(CN2CC[NH+](C[C@@H](O)c3ccc(C#N)cc3)CC2)s1 ZINC000127424813 462551636 /nfs/dbraw/zinc/55/16/36/462551636.db2.gz JZWAWNHKJCVABK-GOSISDBHSA-N 1 2 342.468 2.174 10 30 EEEELO Cc1ncc(C[NH+]2CCN(C[C@@H](O)c3ccc(C#N)cc3)CC2)s1 ZINC000127424813 462551638 /nfs/dbraw/zinc/55/16/38/462551638.db2.gz JZWAWNHKJCVABK-GOSISDBHSA-N 1 2 342.468 2.174 10 30 EEEELO C[C@@H](C(=O)NC(=O)NC1CCCCC1)[N@@H+]1CCc2cncnc2C1 ZINC000329105789 465234916 /nfs/dbraw/zinc/23/49/16/465234916.db2.gz DDEKBYFZJQYQJU-LBPRGKRZSA-N 1 2 331.420 2.426 10 30 EEEELO C[C@@H](C(=O)NC(=O)NC1CCCCC1)[N@H+]1CCc2cncnc2C1 ZINC000329105789 465234919 /nfs/dbraw/zinc/23/49/19/465234919.db2.gz DDEKBYFZJQYQJU-LBPRGKRZSA-N 1 2 331.420 2.426 10 30 EEEELO C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3CCC(=O)N3)c[nH+]2)C[C@@H](C)O1 ZINC000329184296 465260644 /nfs/dbraw/zinc/26/06/44/465260644.db2.gz PTSVRAXHMJWWPY-BZPMIXESSA-N 1 2 332.404 2.271 10 30 EEEELO COc1c(C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)c(C)nn1C ZINC000155274069 462868871 /nfs/dbraw/zinc/86/88/71/462868871.db2.gz HIZKKTYJLNJCSU-SFHVURJKSA-N 1 2 339.443 2.120 10 30 EEEELO C=CCCCN(C)C(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000076950920 462925617 /nfs/dbraw/zinc/92/56/17/462925617.db2.gz PHWSLZBUXWIYSW-HNNXBMFYSA-N 1 2 332.448 2.414 10 30 EEEELO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000121400084 463129362 /nfs/dbraw/zinc/12/93/62/463129362.db2.gz NLNOJHKHCCZUFL-WMLDXEAASA-N 1 2 336.382 2.273 10 30 EEEELO C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000121400084 463129370 /nfs/dbraw/zinc/12/93/70/463129370.db2.gz NLNOJHKHCCZUFL-WMLDXEAASA-N 1 2 336.382 2.273 10 30 EEEELO CCN(CCC#N)C(=O)CN1CC[NH+]([C@H](C)c2cccc(F)c2)CC1 ZINC000159463508 463287537 /nfs/dbraw/zinc/28/75/37/463287537.db2.gz SSCJMMXIYWDLTN-MRXNPFEDSA-N 1 2 346.450 2.266 10 30 EEEELO CCN(CCC#N)C(=O)C[NH+]1CCN([C@H](C)c2cccc(F)c2)CC1 ZINC000159463508 463287541 /nfs/dbraw/zinc/28/75/41/463287541.db2.gz SSCJMMXIYWDLTN-MRXNPFEDSA-N 1 2 346.450 2.266 10 30 EEEELO C=CCNC(=O)C[N@@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161160365 463405459 /nfs/dbraw/zinc/40/54/59/463405459.db2.gz VCZKXPBQWXKYOG-ZIAGYGMSSA-N 1 2 328.334 2.115 10 30 EEEELO C=CCNC(=O)C[N@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161160365 463405462 /nfs/dbraw/zinc/40/54/62/463405462.db2.gz VCZKXPBQWXKYOG-ZIAGYGMSSA-N 1 2 328.334 2.115 10 30 EEEELO CN(CCS(=O)(=O)c1cccc(C#N)c1)c1[nH]c2ccccc2[nH+]1 ZINC000151905170 463611210 /nfs/dbraw/zinc/61/12/10/463611210.db2.gz XJWLTMXOTFXPIP-UHFFFAOYSA-N 1 2 340.408 2.345 10 30 EEEELO C#CC[C@@H](Cc1ccccc1)NC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000287106022 463800623 /nfs/dbraw/zinc/80/06/23/463800623.db2.gz POQDMZWIWKTHOJ-SFHVURJKSA-N 1 2 343.471 2.031 10 30 EEEELO C#CC[C@@H](Cc1ccccc1)NC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000287106022 463800631 /nfs/dbraw/zinc/80/06/31/463800631.db2.gz POQDMZWIWKTHOJ-SFHVURJKSA-N 1 2 343.471 2.031 10 30 EEEELO N#CCC(=O)N1CC[NH+](Cc2cc(Cl)cc3cccnc32)CC1 ZINC000579608092 468384430 /nfs/dbraw/zinc/38/44/30/468384430.db2.gz IREYFUJWUMHMJJ-UHFFFAOYSA-N 1 2 328.803 2.446 10 30 EEEELO C#CCCNC(=O)N1CC[N@@H+](Cc2ccccc2OCC)C[C@H]1C ZINC000281599915 464517773 /nfs/dbraw/zinc/51/77/73/464517773.db2.gz GDJLSQIHVGVWFD-MRXNPFEDSA-N 1 2 329.444 2.324 10 30 EEEELO C#CCCNC(=O)N1CC[N@H+](Cc2ccccc2OCC)C[C@H]1C ZINC000281599915 464517778 /nfs/dbraw/zinc/51/77/78/464517778.db2.gz GDJLSQIHVGVWFD-MRXNPFEDSA-N 1 2 329.444 2.324 10 30 EEEELO Cc1nc([C@@H]2CCC[N@@H+]2CC(=O)N(CCC#N)CCC#N)cs1 ZINC000189822132 464554361 /nfs/dbraw/zinc/55/43/61/464554361.db2.gz JAEALVBCZVHNGT-HNNXBMFYSA-N 1 2 331.445 2.244 10 30 EEEELO Cc1nc([C@@H]2CCC[N@H+]2CC(=O)N(CCC#N)CCC#N)cs1 ZINC000189822132 464554366 /nfs/dbraw/zinc/55/43/66/464554366.db2.gz JAEALVBCZVHNGT-HNNXBMFYSA-N 1 2 331.445 2.244 10 30 EEEELO N#CCCN(CC[NH+]1CCOCC1)Cc1ccccc1OC1CC1 ZINC000295134595 464717345 /nfs/dbraw/zinc/71/73/45/464717345.db2.gz YPECGQZNBYLZDU-UHFFFAOYSA-N 1 2 329.444 2.276 10 30 EEEELO CCCC[C@@H](ON=C(C)C)C(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000273570077 464721456 /nfs/dbraw/zinc/72/14/56/464721456.db2.gz DELIBZAYWPFUAX-MRXNPFEDSA-N 1 2 347.463 2.405 10 30 EEEELO CN(C)c1[nH+]cccc1O[C@H]1CCN(C(=O)c2ccc(C#N)cc2)C1 ZINC000275687317 464785664 /nfs/dbraw/zinc/78/56/64/464785664.db2.gz QQXIDDHEAVLXAB-INIZCTEOSA-N 1 2 336.395 2.313 10 30 EEEELO C=CCCCN(C)C(=O)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000177033863 464913367 /nfs/dbraw/zinc/91/33/67/464913367.db2.gz DOWHACDGVUYABN-UHFFFAOYSA-N 1 2 326.400 2.450 10 30 EEEELO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)[C@H]1CSCN1C(=O)C1CCCC1 ZINC000329630053 465391469 /nfs/dbraw/zinc/39/14/69/465391469.db2.gz VHBCABZYRIVLCW-SWLSCSKDSA-N 1 2 348.472 2.315 10 30 EEEELO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)[C@H]1CSCN1C(=O)C1CCCC1 ZINC000329630053 465391476 /nfs/dbraw/zinc/39/14/76/465391476.db2.gz VHBCABZYRIVLCW-SWLSCSKDSA-N 1 2 348.472 2.315 10 30 EEEELO CC(C)(C)NC(=O)C[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000348319336 465549188 /nfs/dbraw/zinc/54/91/88/465549188.db2.gz LYIWQTMACPWXRT-INIZCTEOSA-N 1 2 348.878 2.437 10 30 EEEELO O=C(C[N@@H+]1CCc2cc[nH]c(=O)c2C1)Nc1nc2c(s1)CCC2 ZINC000330251001 465587466 /nfs/dbraw/zinc/58/74/66/465587466.db2.gz HGCRJDKXSRXKJH-UHFFFAOYSA-N 1 2 330.413 2.379 10 30 EEEELO O=C(C[N@H+]1CCc2cc[nH]c(=O)c2C1)Nc1nc2c(s1)CCC2 ZINC000330251001 465587477 /nfs/dbraw/zinc/58/74/77/465587477.db2.gz HGCRJDKXSRXKJH-UHFFFAOYSA-N 1 2 330.413 2.379 10 30 EEEELO Cn1c2ccc(NCc3c[nH+]c4ccc(C#N)cn34)cc2n(C)c1=O ZINC000344517092 465636399 /nfs/dbraw/zinc/63/63/99/465636399.db2.gz IJPPPQKRIIUGAO-UHFFFAOYSA-N 1 2 332.367 2.008 10 30 EEEELO CNC(=O)N[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cc(Cl)ccc2C)C1 ZINC000330946415 465869348 /nfs/dbraw/zinc/86/93/48/465869348.db2.gz KWEWPRGPYQYGSV-DGCLKSJQSA-N 1 2 338.839 2.183 10 30 EEEELO CNC(=O)N[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2cc(Cl)ccc2C)C1 ZINC000330946415 465869355 /nfs/dbraw/zinc/86/93/55/465869355.db2.gz KWEWPRGPYQYGSV-DGCLKSJQSA-N 1 2 338.839 2.183 10 30 EEEELO CO[C@@H]1CN(C(=O)NCc2[nH+]ccn2CC(F)(F)F)CC[C@H]1C ZINC000330951707 465870781 /nfs/dbraw/zinc/87/07/81/465870781.db2.gz PXQQFYODEGXUCR-GHMZBOCLSA-N 1 2 334.342 2.216 10 30 EEEELO C[C@H](C[NH+]1CCOCC1)NC(=O)Nc1cc(Cl)c(Cl)cn1 ZINC000330987249 465886764 /nfs/dbraw/zinc/88/67/64/465886764.db2.gz QRHVDOWTBBKQFS-SECBINFHSA-N 1 2 333.219 2.435 10 30 EEEELO C[N@@H+]1CC[C@H](NC(=O)c2ccc(C#N)nc2)[C@H]1c1ccc(F)c(F)c1 ZINC000362706081 465958011 /nfs/dbraw/zinc/95/80/11/465958011.db2.gz NODCVPJNASOOLQ-DLBZAZTESA-N 1 2 342.349 2.407 10 30 EEEELO C[N@H+]1CC[C@H](NC(=O)c2ccc(C#N)nc2)[C@H]1c1ccc(F)c(F)c1 ZINC000362706081 465958018 /nfs/dbraw/zinc/95/80/18/465958018.db2.gz NODCVPJNASOOLQ-DLBZAZTESA-N 1 2 342.349 2.407 10 30 EEEELO CSc1[nH]c(=O)c(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)cc1C#N ZINC000349754010 466223652 /nfs/dbraw/zinc/22/36/52/466223652.db2.gz DEOABEYKUPFKSV-JTQLQIEISA-N 1 2 336.461 2.087 10 30 EEEELO C=C[C@@H]1OCC[C@H]1CNC(=O)C[C@@H](c1[nH+]ccn1C)C(F)(F)F ZINC000569378532 468483604 /nfs/dbraw/zinc/48/36/04/468483604.db2.gz UOPXYAWFWUANFU-SRVKXCTJSA-N 1 2 331.338 2.163 10 30 EEEELO CCn1nc2c(cc1=O)C[N@@H+](Cc1ccc(Cl)cc1C#N)CC2 ZINC000372483429 466413113 /nfs/dbraw/zinc/41/31/13/466413113.db2.gz UNGGTZAFOAWECF-UHFFFAOYSA-N 1 2 328.803 2.347 10 30 EEEELO CCn1nc2c(cc1=O)C[N@H+](Cc1ccc(Cl)cc1C#N)CC2 ZINC000372483429 466413119 /nfs/dbraw/zinc/41/31/19/466413119.db2.gz UNGGTZAFOAWECF-UHFFFAOYSA-N 1 2 328.803 2.347 10 30 EEEELO COc1cc(OC)cc(N2CC[C@H]([NH+]3CCC(C)(C#N)CC3)C2=O)c1 ZINC000367904406 466554435 /nfs/dbraw/zinc/55/44/35/466554435.db2.gz WPSCXADERZIPJF-KRWDZBQOSA-N 1 2 343.427 2.435 10 30 EEEELO C=CCN1CC[C@H]([N@H+]2C[C@H](C3CCCCC3)C[C@@H]2C(=O)OC)C1=O ZINC000410390742 466689566 /nfs/dbraw/zinc/68/95/66/466689566.db2.gz IWLPSGFNOXPPGR-IXDOHACOSA-N 1 2 334.460 2.217 10 30 EEEELO C=CCN1CC[C@H]([N@@H+]2C[C@H](C3CCCCC3)C[C@@H]2C(=O)OC)C1=O ZINC000410390742 466689571 /nfs/dbraw/zinc/68/95/71/466689571.db2.gz IWLPSGFNOXPPGR-IXDOHACOSA-N 1 2 334.460 2.217 10 30 EEEELO C[N@H+]1Cc2ccccc2[C@H](NS(=O)(=O)c2ccc(F)c(C#N)c2)C1 ZINC000370132470 466770757 /nfs/dbraw/zinc/77/07/57/466770757.db2.gz LNYMYFDDACUKNY-QGZVFWFLSA-N 1 2 345.399 2.162 10 30 EEEELO C[N@@H+]1Cc2ccccc2[C@H](NS(=O)(=O)c2ccc(F)c(C#N)c2)C1 ZINC000370132470 466770760 /nfs/dbraw/zinc/77/07/60/466770760.db2.gz LNYMYFDDACUKNY-QGZVFWFLSA-N 1 2 345.399 2.162 10 30 EEEELO C#CCC(CC#C)C(=O)N1CCN(c2cc(C(F)(F)F)cc[nH+]2)CC1 ZINC000377319884 467053834 /nfs/dbraw/zinc/05/38/34/467053834.db2.gz FABJYIYJMDUZBZ-UHFFFAOYSA-N 1 2 349.356 2.412 10 30 EEEELO CC(C)O[C@@H]1CCC[N@H+](CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000404681402 467476647 /nfs/dbraw/zinc/47/66/47/467476647.db2.gz CSOQEULRFUOBAV-MRXNPFEDSA-N 1 2 336.457 2.221 10 30 EEEELO CC(C)O[C@@H]1CCC[N@@H+](CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000404681402 467476651 /nfs/dbraw/zinc/47/66/51/467476651.db2.gz CSOQEULRFUOBAV-MRXNPFEDSA-N 1 2 336.457 2.221 10 30 EEEELO C=CCN(CC=C)C(=O)C[NH+]1CCN(c2ncc(CC)s2)CC1 ZINC000441359683 467571890 /nfs/dbraw/zinc/57/18/90/467571890.db2.gz CMSUVLAOLHVBAS-UHFFFAOYSA-N 1 2 334.489 2.028 10 30 EEEELO N#Cc1cc(Br)ccc1C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000450270331 467813640 /nfs/dbraw/zinc/81/36/40/467813640.db2.gz MFZGJDKAXFRFCW-LLVKDONJSA-N 1 2 345.200 2.331 10 30 EEEELO N#Cc1cc(Br)ccc1C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000450270331 467813642 /nfs/dbraw/zinc/81/36/42/467813642.db2.gz MFZGJDKAXFRFCW-LLVKDONJSA-N 1 2 345.200 2.331 10 30 EEEELO COc1cc(CNC(=O)NCCCCn2cc[nH+]c2)ccc1C#N ZINC000516610719 468036949 /nfs/dbraw/zinc/03/69/49/468036949.db2.gz RXKGGBABKJTQLG-UHFFFAOYSA-N 1 2 327.388 2.043 10 30 EEEELO C[C@H](CC#N)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000597457399 468562904 /nfs/dbraw/zinc/56/29/04/468562904.db2.gz OFCJUMVGJYXOIY-DAXOMENPSA-N 1 2 335.835 2.378 10 30 EEEELO C[C@H](CC#N)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000597457399 468562907 /nfs/dbraw/zinc/56/29/07/468562907.db2.gz OFCJUMVGJYXOIY-DAXOMENPSA-N 1 2 335.835 2.378 10 30 EEEELO COC(=O)c1cccc(C[N@H+]2CC=C(c3ccnn3C)CC2)c1C#N ZINC000556831250 468584420 /nfs/dbraw/zinc/58/44/20/468584420.db2.gz ZQYCZUPJWOGZGP-UHFFFAOYSA-N 1 2 336.395 2.368 10 30 EEEELO COC(=O)c1cccc(C[N@@H+]2CC=C(c3ccnn3C)CC2)c1C#N ZINC000556831250 468584423 /nfs/dbraw/zinc/58/44/23/468584423.db2.gz ZQYCZUPJWOGZGP-UHFFFAOYSA-N 1 2 336.395 2.368 10 30 EEEELO Cn1ccnc1[C@H]([NH2+]C[C@@H](O)CC1(C#N)CC1)c1ccccc1F ZINC000600720598 468633950 /nfs/dbraw/zinc/63/39/50/468633950.db2.gz ZPKDQMZOEMMNHD-XJKSGUPXSA-N 1 2 328.391 2.293 10 30 EEEELO N#Cc1csc(C[N@H+]2CC[C@H](C(=O)NCc3ccccc3)C2)n1 ZINC000592156316 468641465 /nfs/dbraw/zinc/64/14/65/468641465.db2.gz YADSIHOVXQQJSJ-AWEZNQCLSA-N 1 2 326.425 2.153 10 30 EEEELO N#Cc1csc(C[N@@H+]2CC[C@H](C(=O)NCc3ccccc3)C2)n1 ZINC000592156316 468641467 /nfs/dbraw/zinc/64/14/67/468641467.db2.gz YADSIHOVXQQJSJ-AWEZNQCLSA-N 1 2 326.425 2.153 10 30 EEEELO Cc1c[nH+]c(C)nc1NCCCc1nn(-c2ccccc2)c(N)c1C#N ZINC000558523984 468686627 /nfs/dbraw/zinc/68/66/27/468686627.db2.gz FVMYXXSJUORTTM-UHFFFAOYSA-N 1 2 347.426 2.778 10 30 EEEELO CC(C)c1ccc2ncc(C#N)c(NC[C@@H]3CN(C)CC[N@@H+]3C)c2c1 ZINC000583673738 468737807 /nfs/dbraw/zinc/73/78/07/468737807.db2.gz UHFTUZJPFQCRPY-QGZVFWFLSA-N 1 2 337.471 2.309 10 30 EEEELO CC(C)c1ccc2ncc(C#N)c(NC[C@@H]3CN(C)CC[N@H+]3C)c2c1 ZINC000583673738 468737810 /nfs/dbraw/zinc/73/78/10/468737810.db2.gz UHFTUZJPFQCRPY-QGZVFWFLSA-N 1 2 337.471 2.309 10 30 EEEELO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1c1ncc(C#N)c2ccsc21 ZINC000601166140 468767446 /nfs/dbraw/zinc/76/74/46/468767446.db2.gz YPPFONLYBNFGQH-GXTWGEPZSA-N 1 2 328.441 2.467 10 30 EEEELO COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@H+](Cc2ccc(C#N)cn2)C1 ZINC000595624700 468928398 /nfs/dbraw/zinc/92/83/98/468928398.db2.gz HSWXJGYQESAOLG-NEPJUHHUSA-N 1 2 327.306 2.127 10 30 EEEELO COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@@H+](Cc2ccc(C#N)cn2)C1 ZINC000595624700 468928402 /nfs/dbraw/zinc/92/84/02/468928402.db2.gz HSWXJGYQESAOLG-NEPJUHHUSA-N 1 2 327.306 2.127 10 30 EEEELO CN(CCOc1ccc(Cl)cc1)C(=O)C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595836457 469033306 /nfs/dbraw/zinc/03/33/06/469033306.db2.gz XWIGQMXOCRYGFV-KRWDZBQOSA-N 1 2 335.835 2.413 10 30 EEEELO CN(CCOc1ccc(Cl)cc1)C(=O)C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595836457 469033314 /nfs/dbraw/zinc/03/33/14/469033314.db2.gz XWIGQMXOCRYGFV-KRWDZBQOSA-N 1 2 335.835 2.413 10 30 EEEELO C[C@H]1C[N@H+](C)[C@@H](C)CN1S(=O)(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000593568860 469039950 /nfs/dbraw/zinc/03/99/50/469039950.db2.gz LABWKRVQYAUDJK-KBPBESRZSA-N 1 2 335.473 2.201 10 30 EEEELO C[C@H]1C[N@@H+](C)[C@@H](C)CN1S(=O)(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000593568860 469039954 /nfs/dbraw/zinc/03/99/54/469039954.db2.gz LABWKRVQYAUDJK-KBPBESRZSA-N 1 2 335.473 2.201 10 30 EEEELO COc1cc(CNC(=O)N[C@@H]2C[C@@H](C)n3cc[nH+]c32)ccc1C#N ZINC000573419091 469126962 /nfs/dbraw/zinc/12/69/62/469126962.db2.gz CQVSTKXEAXMGEU-BXUZGUMPSA-N 1 2 325.372 2.269 10 30 EEEELO N#Cc1cc(C[N@@H+]2CCn3c(Cc4ccccc4)nnc3C2)ccn1 ZINC000610994237 469134292 /nfs/dbraw/zinc/13/42/92/469134292.db2.gz WKUQZXUDMQGMAQ-UHFFFAOYSA-N 1 2 330.395 2.151 10 30 EEEELO N#Cc1cc(C[N@H+]2CCn3c(Cc4ccccc4)nnc3C2)ccn1 ZINC000610994237 469134298 /nfs/dbraw/zinc/13/42/98/469134298.db2.gz WKUQZXUDMQGMAQ-UHFFFAOYSA-N 1 2 330.395 2.151 10 30 EEEELO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+]1CC[C@@H](C(F)F)C1 ZINC000611180575 469185091 /nfs/dbraw/zinc/18/50/91/469185091.db2.gz ZNMIOJDCLPINOP-GFCCVEGCSA-N 1 2 345.353 2.269 10 30 EEEELO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+]1CC[C@@H](C(F)F)C1 ZINC000611180575 469185099 /nfs/dbraw/zinc/18/50/99/469185099.db2.gz ZNMIOJDCLPINOP-GFCCVEGCSA-N 1 2 345.353 2.269 10 30 EEEELO CC#CC[NH2+]Cc1cn(Cc2ncc(-c3ccc(OC)cc3)o2)nn1 ZINC000641005518 471158729 /nfs/dbraw/zinc/15/87/29/471158729.db2.gz UHFLLZKNPSETCE-UHFFFAOYSA-N 1 2 337.383 2.103 10 30 EEEELO C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000668380155 472108688 /nfs/dbraw/zinc/10/86/88/472108688.db2.gz WGWAUZPZVMLFOX-ZBFHGGJFSA-N 1 2 340.427 2.202 10 30 EEEELO C=CCOc1ccc(C(=O)N[C@H]2CCc3c[nH+]cn3C2)cc1OC ZINC000672146410 486052542 /nfs/dbraw/zinc/05/25/42/486052542.db2.gz LIBTUGSKGGEHDX-AWEZNQCLSA-N 1 2 327.384 2.201 10 30 EEEELO C=CCN(CC=C)C(=O)C[NH+]1CCN(c2ccc(F)cc2OC)CC1 ZINC000115550569 527610006 /nfs/dbraw/zinc/61/00/06/527610006.db2.gz IHXLAXPZKFLMJY-UHFFFAOYSA-N 1 2 347.434 2.157 10 30 EEEELO CCCC[C@H](ON=C(C)C)C(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000758067450 577615525 /nfs/dbraw/zinc/61/55/25/577615525.db2.gz GHNRZJHSIPYYJT-KRWDZBQOSA-N 1 2 349.479 2.036 10 30 EEEELO N#Cc1ccc(-c2nnc(COC(=O)CCc3ccc(N)[nH+]c3)o2)cc1 ZINC000751443776 577752814 /nfs/dbraw/zinc/75/28/14/577752814.db2.gz XGPVORXSJNXXLN-UHFFFAOYSA-N 1 2 349.350 2.261 10 30 EEEELO COc1ccc(CC(N)=[NH+]OCc2nc(-c3ccoc3)no2)cc1 ZINC000174124210 683216362 /nfs/dbraw/zinc/21/63/62/683216362.db2.gz FGMCBDYZRDWNDI-UHFFFAOYSA-N 1 2 328.328 2.370 10 30 EEEELO C#CCC1(O)CC[NH+](Cc2c(NC(=O)OC(C)(C)C)cnn2C)CC1 ZINC000896025148 684805495 /nfs/dbraw/zinc/80/54/95/684805495.db2.gz FSOVUZBYSJFMHH-UHFFFAOYSA-N 1 2 348.447 2.117 10 30 EEEELO C#CCOc1cccc(Cl)c1C[NH2+]Cc1cnc2n1CCOC2 ZINC000898268369 691920678 /nfs/dbraw/zinc/92/06/78/691920678.db2.gz YCUFACDXSZIOHO-UHFFFAOYSA-N 1 2 331.803 2.369 10 30 EEEELO C=CC(C)(C)C(=O)N[C@H](C)C1C[NH+](CC(=O)N(C)c2ccccc2)C1 ZINC001485519854 1191824143 /nfs/dbraw/zinc/82/41/43/1191824143.db2.gz KRVYOVOUGCKFHS-OAHLLOKOSA-N 1 2 343.471 2.298 10 30 EEEELO C#CCOCCC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC001266319581 1176239576 /nfs/dbraw/zinc/23/95/76/1176239576.db2.gz NZGXNZNIDGHERT-OAHLLOKOSA-N 1 2 338.810 2.210 10 30 EEEELO C#CCOCCC(=O)N[C@@H]1CC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC001266319581 1176239618 /nfs/dbraw/zinc/23/96/18/1176239618.db2.gz NZGXNZNIDGHERT-OAHLLOKOSA-N 1 2 338.810 2.210 10 30 EEEELO CC(C)(C)C#CC(=O)N1CC[C@@]2(C1)C[N@H+](CCC(F)(F)F)CCO2 ZINC001282773342 1176517326 /nfs/dbraw/zinc/51/73/26/1176517326.db2.gz QETNKDYGHVRTSR-INIZCTEOSA-N 1 2 346.393 2.292 10 30 EEEELO CC(C)(C)C#CC(=O)N1CC[C@@]2(C1)C[N@@H+](CCC(F)(F)F)CCO2 ZINC001282773342 1176517331 /nfs/dbraw/zinc/51/73/31/1176517331.db2.gz QETNKDYGHVRTSR-INIZCTEOSA-N 1 2 346.393 2.292 10 30 EEEELO C[C@H](C(=O)N1CCCCCC1)[N@@H+]1CC[C@@H]1CNC(=O)C#CC(C)(C)C ZINC001670640213 1176961172 /nfs/dbraw/zinc/96/11/72/1176961172.db2.gz CWVSFEAXFPWLGE-IAGOWNOFSA-N 1 2 347.503 2.018 10 30 EEEELO C[C@H](C(=O)N1CCCCCC1)[N@H+]1CC[C@@H]1CNC(=O)C#CC(C)(C)C ZINC001670640213 1176961181 /nfs/dbraw/zinc/96/11/81/1176961181.db2.gz CWVSFEAXFPWLGE-IAGOWNOFSA-N 1 2 347.503 2.018 10 30 EEEELO CC#CCCCC(=O)N[C@H]1C[C@H]([NH2+]Cc2noc(C3CCC3)n2)C1 ZINC001266612482 1176982555 /nfs/dbraw/zinc/98/25/55/1176982555.db2.gz SYVVMAKLKKIRQK-SHTZXODSSA-N 1 2 330.432 2.268 10 30 EEEELO CC[C@H](Cc1ccccc1C)C(=O)NC[C@H]1CC[N@@H+]1CC#CCOC ZINC001670713765 1177043268 /nfs/dbraw/zinc/04/32/68/1177043268.db2.gz LQXMJSGCSVYMFI-UYAOXDASSA-N 1 2 342.483 2.404 10 30 EEEELO CC[C@H](Cc1ccccc1C)C(=O)NC[C@H]1CC[N@H+]1CC#CCOC ZINC001670713765 1177043276 /nfs/dbraw/zinc/04/32/76/1177043276.db2.gz LQXMJSGCSVYMFI-UYAOXDASSA-N 1 2 342.483 2.404 10 30 EEEELO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(C=C)cc1 ZINC001691062937 1177493311 /nfs/dbraw/zinc/49/33/11/1177493311.db2.gz XERZXKQPGJAFBB-MAUKXSAKSA-N 1 2 341.455 2.167 10 30 EEEELO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(C=C)cc1 ZINC001691062937 1177493314 /nfs/dbraw/zinc/49/33/14/1177493314.db2.gz XERZXKQPGJAFBB-MAUKXSAKSA-N 1 2 341.455 2.167 10 30 EEEELO C=C[C@@](C)(O)CC(=O)NC[C@H]1CCCC[N@H+]1Cc1ncc(CC)o1 ZINC001266839798 1177517833 /nfs/dbraw/zinc/51/78/33/1177517833.db2.gz IJNPMWJFGOQMFK-RDTXWAMCSA-N 1 2 335.448 2.035 10 30 EEEELO C=C[C@@](C)(O)CC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ncc(CC)o1 ZINC001266839798 1177517840 /nfs/dbraw/zinc/51/78/40/1177517840.db2.gz IJNPMWJFGOQMFK-RDTXWAMCSA-N 1 2 335.448 2.035 10 30 EEEELO CC#CCCCC(=O)NC[C@@H]1CC[N@H+](Cc2nc(C(C)(C)C)no2)C1 ZINC001691153562 1177646943 /nfs/dbraw/zinc/64/69/43/1177646943.db2.gz AEYAQNOCALODDJ-HNNXBMFYSA-N 1 2 346.475 2.499 10 30 EEEELO CC#CCCCC(=O)NC[C@@H]1CC[N@@H+](Cc2nc(C(C)(C)C)no2)C1 ZINC001691153562 1177646947 /nfs/dbraw/zinc/64/69/47/1177646947.db2.gz AEYAQNOCALODDJ-HNNXBMFYSA-N 1 2 346.475 2.499 10 30 EEEELO C=C[C@](C)(CC)C(=O)NC[C@@H](C)[NH2+]Cc1ncn(-c2ccccc2)n1 ZINC001266968428 1177941966 /nfs/dbraw/zinc/94/19/66/1177941966.db2.gz QTTWBXQFVNZUJA-DNVCBOLYSA-N 1 2 341.459 2.464 10 30 EEEELO C=C(C)CCC(=O)N[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)CC(C)(C)C1 ZINC001719653900 1178500009 /nfs/dbraw/zinc/50/00/09/1178500009.db2.gz FIIODSMATOJLBS-MRXNPFEDSA-N 1 2 346.475 2.373 10 30 EEEELO C#CC[NH2+]Cc1nc2c(s1)CCN(C(=O)[C@@H](CC)CC(F)F)C2 ZINC001750939711 1178603624 /nfs/dbraw/zinc/60/36/24/1178603624.db2.gz YVISGWGJAFJEHV-NSHDSACASA-N 1 2 341.427 2.432 10 30 EEEELO C=CCC(CC=C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cnn(C)c1 ZINC001267405429 1178977832 /nfs/dbraw/zinc/97/78/32/1178977832.db2.gz LUJZUOBKZYCPKO-HDICACEKSA-N 1 2 328.460 2.364 10 30 EEEELO C=CCC(CC=C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cnn(C)c1 ZINC001267405429 1178977838 /nfs/dbraw/zinc/97/78/38/1178977838.db2.gz LUJZUOBKZYCPKO-HDICACEKSA-N 1 2 328.460 2.364 10 30 EEEELO CC(C)C#CC(=O)NCC[C@@H]1CC[N@H+](Cc2nn(C)cc2Cl)C1 ZINC001267523541 1179259145 /nfs/dbraw/zinc/25/91/45/1179259145.db2.gz JXFJJPOZGXHSDG-CQSZACIVSA-N 1 2 336.867 2.061 10 30 EEEELO CC(C)C#CC(=O)NCC[C@@H]1CC[N@@H+](Cc2nn(C)cc2Cl)C1 ZINC001267523541 1179259154 /nfs/dbraw/zinc/25/91/54/1179259154.db2.gz JXFJJPOZGXHSDG-CQSZACIVSA-N 1 2 336.867 2.061 10 30 EEEELO C=C[C@@](C)(CC)C(=O)N(CC)CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001745327224 1179573291 /nfs/dbraw/zinc/57/32/91/1179573291.db2.gz DBLCYSDAYKXFDT-KXBFYZLASA-N 1 2 346.475 2.013 10 30 EEEELO CCOCCC(=O)NCC1C[NH+](CC#Cc2ccc(Cl)cc2)C1 ZINC001267676383 1180142192 /nfs/dbraw/zinc/14/21/92/1180142192.db2.gz IRWXKWGXFKNXBD-UHFFFAOYSA-N 1 2 334.847 2.166 10 30 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C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(Cc1ccc(F)cc1)CC1CC1 ZINC000884143114 1202241606 /nfs/dbraw/zinc/24/16/06/1202241606.db2.gz WLGYNKBIOGLARU-INIZCTEOSA-N 1 2 334.391 2.011 10 30 EEEELO C=CCOCC(=O)N[C@@H]1CC[N@@H+](CC(=C)Br)CC1(C)C ZINC001274416141 1205028428 /nfs/dbraw/zinc/02/84/28/1205028428.db2.gz LQZXMSYCZRBPTM-CYBMUJFWSA-N 1 2 345.281 2.314 10 30 EEEELO C=CCOCC(=O)N[C@@H]1CC[N@H+](CC(=C)Br)CC1(C)C ZINC001274416141 1205028429 /nfs/dbraw/zinc/02/84/29/1205028429.db2.gz LQZXMSYCZRBPTM-CYBMUJFWSA-N 1 2 345.281 2.314 10 30 EEEELO C#CCOCCC(=O)NC[C@H]1c2ccccc2CC[N@H+]1C/C=C/Cl ZINC001274847185 1205185557 /nfs/dbraw/zinc/18/55/57/1205185557.db2.gz MDKPZWPYFQHDFJ-DNXKIMQPSA-N 1 2 346.858 2.494 10 30 EEEELO C#CCOCCC(=O)NC[C@H]1c2ccccc2CC[N@@H+]1C/C=C/Cl ZINC001274847185 1205185559 /nfs/dbraw/zinc/18/55/59/1205185559.db2.gz MDKPZWPYFQHDFJ-DNXKIMQPSA-N 1 2 346.858 2.494 10 30 EEEELO COc1nscc1C[N@H+](C)C[C@H]1CCCN1C(=O)C#CC(C)C ZINC001275107338 1205257595 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332.448 2.154 10 30 EEEELO C=CCCCC(=O)NC[C@@H]1[C@H]2CN(C(=O)C[C@@H](C)n3cc[nH+]c3)C[C@H]21 ZINC001286262261 1327361772 /nfs/dbraw/zinc/36/17/72/1327361772.db2.gz AZLXTHSNHPZGFP-VQHPVUNQSA-N 1 2 344.459 2.011 10 30 EEEELO C=C(C)C[C@H](C)C(=O)NC[C@H]1C[C@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001286435361 1327393327 /nfs/dbraw/zinc/39/33/27/1327393327.db2.gz RUVHHFPJNBEPRX-VGWMRTNUSA-N 1 2 346.475 2.202 10 30 EEEELO C=C(C)C[C@H](C)C(=O)NC[C@H]1C[C@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001286435361 1327393331 /nfs/dbraw/zinc/39/33/31/1327393331.db2.gz RUVHHFPJNBEPRX-VGWMRTNUSA-N 1 2 346.475 2.202 10 30 EEEELO C=CCCC(=O)N1CCC(N(C)C(=O)CCCn2cc[nH+]c2)CC1 ZINC001287350852 1327481663 /nfs/dbraw/zinc/48/16/63/1327481663.db2.gz LINPSJIIXOQCKI-UHFFFAOYSA-N 1 2 332.448 2.079 10 30 EEEELO C=C[C@H](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CCn1cc[nH+]c1 ZINC001292193495 1328370716 /nfs/dbraw/zinc/37/07/16/1328370716.db2.gz KIPVZVWBSJBXBZ-VQHPVUNQSA-N 1 2 344.459 2.124 10 30 EEEELO 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C=C1CC(C)(C(=O)N2CCC[C@H](CN(C)C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001524580008 1120189268 /nfs/dbraw/zinc/18/92/68/1120189268.db2.gz CLQXRBAEIDSIMJ-OAHLLOKOSA-N 1 2 344.459 2.006 10 30 EEEELO C=CCCCC(=O)NC1CCC(NC(=O)CCc2[nH+]ccn2C)CC1 ZINC001526320058 1120502476 /nfs/dbraw/zinc/50/24/76/1120502476.db2.gz SPRONSNVUOSGHG-UHFFFAOYSA-N 1 2 346.475 2.253 10 30 EEEELO CC#CCCCC(=O)N(CC)CCNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001528926337 1121238539 /nfs/dbraw/zinc/23/85/39/1121238539.db2.gz RRYKWBFAVNMDEN-UHFFFAOYSA-N 1 2 346.475 2.085 10 30 EEEELO C=C(C)CCC(=O)NC[C@@H]1CCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001529302407 1121397421 /nfs/dbraw/zinc/39/74/21/1121397421.db2.gz AOVDSKGCOXDHCA-AWEZNQCLSA-N 1 2 332.448 2.151 10 30 EEEELO C=C(C)CCC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001530952437 1122178684 /nfs/dbraw/zinc/17/86/84/1122178684.db2.gz QSFISUSIECJFBZ-JYJNAYRXSA-N 1 2 330.432 2.002 10 30 EEEELO C=CCC1(C(=O)NC[C@H](C)NC(=O)CCc2c[nH]c[nH+]2)CCCCC1 ZINC001534205542 1123303933 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2.492 10 30 EEEELO C[C@H]1C[N@H+](Cc2ccc(F)cc2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC000170081414 463674807 /nfs/dbraw/zinc/67/48/07/463674807.db2.gz CWJSOPMQEHPDCI-ZDUSSCGKSA-N 1 2 326.375 2.372 10 30 EEEELO C[C@H]1C[N@@H+](Cc2ccc(F)cc2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC000170081414 463674809 /nfs/dbraw/zinc/67/48/09/463674809.db2.gz CWJSOPMQEHPDCI-ZDUSSCGKSA-N 1 2 326.375 2.372 10 30 EEEELO CC(C)[C@H]([NH2+]Cc1c(C#N)cccc1[N+](=O)[O-])C(=O)N1CCCC1 ZINC000590955526 468382515 /nfs/dbraw/zinc/38/25/15/468382515.db2.gz JHOMETAQQLDQII-INIZCTEOSA-N 1 2 330.388 2.203 10 30 EEEELO COc1ccc(C[N@H+]2CC(=O)N(C)[C@H](C)C2)cc1OCCCC#N ZINC000282412247 464810131 /nfs/dbraw/zinc/81/01/31/464810131.db2.gz DFXBWDIVSUPVIF-CQSZACIVSA-N 1 2 331.416 2.040 10 30 EEEELO COc1ccc(C[N@@H+]2CC(=O)N(C)[C@H](C)C2)cc1OCCCC#N ZINC000282412247 464810138 /nfs/dbraw/zinc/81/01/38/464810138.db2.gz DFXBWDIVSUPVIF-CQSZACIVSA-N 1 2 331.416 2.040 10 30 EEEELO COc1cc(N2CC[NH+](CC#Cc3ccc(Cl)cc3)CC2)ncn1 ZINC000184080639 464944962 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338.411 2.315 10 30 EEEELO C=C[C@@H](CC)CC(=O)N(C)C[C@H]1CC[N@@H+]1CC(=O)NC1CCCC1 ZINC001691054989 1177465941 /nfs/dbraw/zinc/46/59/41/1177465941.db2.gz FSXDZZYUXXZKLU-DOTOQJQBSA-N 1 2 335.492 2.180 10 30 EEEELO C=C[C@@H](CC)CC(=O)N(C)C[C@H]1CC[N@H+]1CC(=O)NC1CCCC1 ZINC001691054989 1177465945 /nfs/dbraw/zinc/46/59/45/1177465945.db2.gz FSXDZZYUXXZKLU-DOTOQJQBSA-N 1 2 335.492 2.180 10 30 EEEELO CCCn1ncnc1C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C#CC(C)C)C1 ZINC001266889459 1177721803 /nfs/dbraw/zinc/72/18/03/1177721803.db2.gz DOVAWAOCTWEUJL-SJORKVTESA-N 1 2 345.491 2.064 10 30 EEEELO CCCn1ncnc1C[N@H+]1CCC[C@H]([C@@H](C)NC(=O)C#CC(C)C)C1 ZINC001266889459 1177721807 /nfs/dbraw/zinc/72/18/07/1177721807.db2.gz DOVAWAOCTWEUJL-SJORKVTESA-N 1 2 345.491 2.064 10 30 EEEELO C=CCCCC(=O)NCC[N@@H+](C)CC(=O)N1CCc2sccc2C1 ZINC001480906064 1177902886 /nfs/dbraw/zinc/90/28/86/1177902886.db2.gz JPGQPFSVWIPYMW-UHFFFAOYSA-N 1 2 349.500 2.037 10 30 EEEELO C=CCCCC(=O)NCC[N@H+](C)CC(=O)N1CCc2sccc2C1 ZINC001480906064 1177902894 /nfs/dbraw/zinc/90/28/94/1177902894.db2.gz JPGQPFSVWIPYMW-UHFFFAOYSA-N 1 2 349.500 2.037 10 30 EEEELO C#CCOc1ccc(C(=O)NCC[N@@H+](CC)Cc2nocc2C)cc1 ZINC001267252210 1178618924 /nfs/dbraw/zinc/61/89/24/1178618924.db2.gz GUYXRPIYHILSNK-UHFFFAOYSA-N 1 2 341.411 2.247 10 30 EEEELO C#CCOc1ccc(C(=O)NCC[N@H+](CC)Cc2nocc2C)cc1 ZINC001267252210 1178618927 /nfs/dbraw/zinc/61/89/27/1178618927.db2.gz GUYXRPIYHILSNK-UHFFFAOYSA-N 1 2 341.411 2.247 10 30 EEEELO C=C(C)CCC(=O)N1CC(C)(C)CC[C@H]1CNC(=O)Cc1[nH]cc[nH+]1 ZINC001719660474 1178669638 /nfs/dbraw/zinc/66/96/38/1178669638.db2.gz PSPRQQVJUVSDBV-HNNXBMFYSA-N 1 2 346.475 2.442 10 30 EEEELO CC#CCN1CC[NH+](CCN(C)C(=O)c2c(C)cccc2C)CC1 ZINC001267612217 1179804886 /nfs/dbraw/zinc/80/48/86/1179804886.db2.gz BEJJACWRLWFDNO-UHFFFAOYSA-N 1 2 327.472 2.016 10 30 EEEELO CCC(CC)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](NC(=O)C#CC(C)(C)C)C1 ZINC001267626523 1180015004 /nfs/dbraw/zinc/01/50/04/1180015004.db2.gz YUVNQPCEHMDRDW-WBVHZDCISA-N 1 2 349.519 2.310 10 30 EEEELO CCC(CC)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](NC(=O)C#CC(C)(C)C)C1 ZINC001267626523 1180015008 /nfs/dbraw/zinc/01/50/08/1180015008.db2.gz YUVNQPCEHMDRDW-WBVHZDCISA-N 1 2 349.519 2.310 10 30 EEEELO CO[C@H](C)CC(=O)NCC1C[NH+](CC#Cc2cccc(Cl)c2)C1 ZINC001267677026 1180144469 /nfs/dbraw/zinc/14/44/69/1180144469.db2.gz UNNIRMNRFBKRDD-CQSZACIVSA-N 1 2 334.847 2.165 10 30 EEEELO COCC#CC[N@@H+]1CC[C@H](NC(=O)c2cc3c(s2)CC[C@@H](C)C3)C1 ZINC001267733789 1180326253 /nfs/dbraw/zinc/32/62/53/1180326253.db2.gz DNZIKWPVPOAKAW-ZBFHGGJFSA-N 1 2 346.496 2.327 10 30 EEEELO COCC#CC[N@H+]1CC[C@H](NC(=O)c2cc3c(s2)CC[C@@H](C)C3)C1 ZINC001267733789 1180326261 /nfs/dbraw/zinc/32/62/61/1180326261.db2.gz DNZIKWPVPOAKAW-ZBFHGGJFSA-N 1 2 346.496 2.327 10 30 EEEELO C=CCOCC(=O)N(CC)[C@H]1CC[N@H+](Cc2ccn(C(C)C)n2)C1 ZINC001267781504 1180522960 /nfs/dbraw/zinc/52/29/60/1180522960.db2.gz JAPGHNOFORBNJX-KRWDZBQOSA-N 1 2 334.464 2.089 10 30 EEEELO C=CCOCC(=O)N(CC)[C@H]1CC[N@@H+](Cc2ccn(C(C)C)n2)C1 ZINC001267781504 1180522966 /nfs/dbraw/zinc/52/29/66/1180522966.db2.gz JAPGHNOFORBNJX-KRWDZBQOSA-N 1 2 334.464 2.089 10 30 EEEELO CCOCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C#N)c(F)c1 ZINC001481376613 1181158112 /nfs/dbraw/zinc/15/81/12/1181158112.db2.gz LLXTXOUPTUUSPG-CALCHBBNSA-N 1 2 345.418 2.299 10 30 EEEELO CCOCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)c(F)c1 ZINC001481376613 1181158122 /nfs/dbraw/zinc/15/81/22/1181158122.db2.gz LLXTXOUPTUUSPG-CALCHBBNSA-N 1 2 345.418 2.299 10 30 EEEELO C#CCCCCC(=O)N1CC[C@@H](C[N@@H+](C)[C@@H](C)c2noc(C)n2)C1 ZINC001481481328 1181525170 /nfs/dbraw/zinc/52/51/70/1181525170.db2.gz HYBURHXREDRYFJ-HOCLYGCPSA-N 1 2 332.448 2.413 10 30 EEEELO C#CCCCCC(=O)N1CC[C@@H](C[N@H+](C)[C@@H](C)c2noc(C)n2)C1 ZINC001481481328 1181525175 /nfs/dbraw/zinc/52/51/75/1181525175.db2.gz HYBURHXREDRYFJ-HOCLYGCPSA-N 1 2 332.448 2.413 10 30 EEEELO C=CCC(C)(C)C(=O)NC[C@H]1CCCN1C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001745407411 1181530478 /nfs/dbraw/zinc/53/04/78/1181530478.db2.gz HGVKMNXEMDKEMQ-GDBMZVCRSA-N 1 2 346.475 2.298 10 30 EEEELO C=CCC(C)(C)C(=O)NC[C@H]1CCCN1C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001745407411 1181530481 /nfs/dbraw/zinc/53/04/81/1181530481.db2.gz HGVKMNXEMDKEMQ-GDBMZVCRSA-N 1 2 346.475 2.298 10 30 EEEELO CCCn1ncnc1C[N@H+](C)C[C@@H]1CCN(C(=O)C#CC(C)(C)C)C1 ZINC001481487131 1181543217 /nfs/dbraw/zinc/54/32/17/1181543217.db2.gz WGCWRYROQAHHBG-INIZCTEOSA-N 1 2 345.491 2.018 10 30 EEEELO CCCn1ncnc1C[N@@H+](C)C[C@@H]1CCN(C(=O)C#CC(C)(C)C)C1 ZINC001481487131 1181543226 /nfs/dbraw/zinc/54/32/26/1181543226.db2.gz WGCWRYROQAHHBG-INIZCTEOSA-N 1 2 345.491 2.018 10 30 EEEELO C=CCC1(C(=O)N[C@H]2CCC[N@@H+](CC(=O)NCC)C2)CCCCC1 ZINC001481539345 1181686173 /nfs/dbraw/zinc/68/61/73/1181686173.db2.gz BUTRAKOYUFKKTI-INIZCTEOSA-N 1 2 335.492 2.230 10 30 EEEELO C=CCC1(C(=O)N[C@H]2CCC[N@H+](CC(=O)NCC)C2)CCCCC1 ZINC001481539345 1181686177 /nfs/dbraw/zinc/68/61/77/1181686177.db2.gz BUTRAKOYUFKKTI-INIZCTEOSA-N 1 2 335.492 2.230 10 30 EEEELO C=C[C@@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1cnsn1)c1ccccc1 ZINC001268100213 1181744781 /nfs/dbraw/zinc/74/47/81/1181744781.db2.gz UAKDQGDDRDFJFA-CZUORRHYSA-N 1 2 330.457 2.444 10 30 EEEELO C=CCCC(=O)NCC1C[NH+]([C@H](C)C(=O)Nc2ccccc2C)C1 ZINC001481614167 1181885070 /nfs/dbraw/zinc/88/50/70/1181885070.db2.gz AIGGASKNKGVBOJ-OAHLLOKOSA-N 1 2 329.444 2.336 10 30 EEEELO C=CCC[C@@H](C(=O)N[C@H]1CCC[N@@H+](CC(=O)NC)C1)c1ccccc1 ZINC001268238829 1182060406 /nfs/dbraw/zinc/06/04/06/1182060406.db2.gz HUKBKLKVBYUMRT-ZWKOTPCHSA-N 1 2 343.471 2.063 10 30 EEEELO C=CCC[C@@H](C(=O)N[C@H]1CCC[N@H+](CC(=O)NC)C1)c1ccccc1 ZINC001268238829 1182060412 /nfs/dbraw/zinc/06/04/12/1182060412.db2.gz HUKBKLKVBYUMRT-ZWKOTPCHSA-N 1 2 343.471 2.063 10 30 EEEELO C=CCC1(C(=O)N[C@H]2CC[N@H+](CC(=O)NCC3CC3)C2)CCCCC1 ZINC001481696525 1182229660 /nfs/dbraw/zinc/22/96/60/1182229660.db2.gz RZWRJUXRSIDQFJ-KRWDZBQOSA-N 1 2 347.503 2.230 10 30 EEEELO C=CCC1(C(=O)N[C@H]2CC[N@@H+](CC(=O)NCC3CC3)C2)CCCCC1 ZINC001481696525 1182229665 /nfs/dbraw/zinc/22/96/65/1182229665.db2.gz RZWRJUXRSIDQFJ-KRWDZBQOSA-N 1 2 347.503 2.230 10 30 EEEELO C=CC(C)(C)CC(=O)N(C)CC1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001745754869 1182542030 /nfs/dbraw/zinc/54/20/30/1182542030.db2.gz RCPFFZAQXGXPJH-UHFFFAOYSA-N 1 2 346.475 2.252 10 30 EEEELO CC(C)(C)C#CC(=O)NCc1ccc(C[NH2+]Cc2csnn2)cc1 ZINC001482029716 1183161919 /nfs/dbraw/zinc/16/19/19/1183161919.db2.gz NOHKLVTVOBAALV-UHFFFAOYSA-N 1 2 342.468 2.494 10 30 EEEELO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CC[C@H]1CNC(=O)C=C1CCC1 ZINC001269216069 1184066004 /nfs/dbraw/zinc/06/60/04/1184066004.db2.gz TWBHVZFVOAUOQO-WBVHZDCISA-N 1 2 333.476 2.100 10 30 EEEELO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CC[C@H]1CNC(=O)C=C1CCC1 ZINC001269216069 1184066008 /nfs/dbraw/zinc/06/60/08/1184066008.db2.gz TWBHVZFVOAUOQO-WBVHZDCISA-N 1 2 333.476 2.100 10 30 EEEELO C=C(Br)C[N@H+]1CC[C@H](N(C)C(=O)COCCCC)C1 ZINC001269227733 1184075885 /nfs/dbraw/zinc/07/58/85/1184075885.db2.gz QTIYFLHAVCPVSR-ZDUSSCGKSA-N 1 2 333.270 2.244 10 30 EEEELO C=C(Br)C[N@@H+]1CC[C@H](N(C)C(=O)COCCCC)C1 ZINC001269227733 1184075891 /nfs/dbraw/zinc/07/58/91/1184075891.db2.gz QTIYFLHAVCPVSR-ZDUSSCGKSA-N 1 2 333.270 2.244 10 30 EEEELO N#Cc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)CCOCC2CC2)cc1F ZINC001269235812 1184086267 /nfs/dbraw/zinc/08/62/67/1184086267.db2.gz PKERETOEYNVBFO-QGZVFWFLSA-N 1 2 345.418 2.205 10 30 EEEELO N#Cc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)CCOCC2CC2)cc1F ZINC001269235812 1184086276 /nfs/dbraw/zinc/08/62/76/1184086276.db2.gz PKERETOEYNVBFO-QGZVFWFLSA-N 1 2 345.418 2.205 10 30 EEEELO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H]1CNC(=O)CC1(C=C)CCCCC1 ZINC001269320615 1184167201 /nfs/dbraw/zinc/16/72/01/1184167201.db2.gz FIEHOAGTPITNDP-SJORKVTESA-N 1 2 347.503 2.394 10 30 EEEELO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H]1CNC(=O)CC1(C=C)CCCCC1 ZINC001269320615 1184167207 /nfs/dbraw/zinc/16/72/07/1184167207.db2.gz FIEHOAGTPITNDP-SJORKVTESA-N 1 2 347.503 2.394 10 30 EEEELO C=C(C)[C@H](CC(=O)N(CC)[C@@H]1CC[N@H+](Cc2ccon2)C1)OCC ZINC001269330339 1184178750 /nfs/dbraw/zinc/17/87/50/1184178750.db2.gz HMFIKTDDXUWQLL-SJORKVTESA-N 1 2 335.448 2.469 10 30 EEEELO C=C(C)[C@H](CC(=O)N(CC)[C@@H]1CC[N@@H+](Cc2ccon2)C1)OCC ZINC001269330339 1184178754 /nfs/dbraw/zinc/17/87/54/1184178754.db2.gz HMFIKTDDXUWQLL-SJORKVTESA-N 1 2 335.448 2.469 10 30 EEEELO CC(C)C#CC(=O)N1CCCC[C@H]1[C@@H]1CC[N@H+](Cc2csnn2)C1 ZINC001269557780 1184389611 /nfs/dbraw/zinc/38/96/11/1184389611.db2.gz SYMDOMSWYJRFPB-WBVHZDCISA-N 1 2 346.500 2.401 10 30 EEEELO CC(C)C#CC(=O)N1CCCC[C@H]1[C@@H]1CC[N@@H+](Cc2csnn2)C1 ZINC001269557780 1184389619 /nfs/dbraw/zinc/38/96/19/1184389619.db2.gz SYMDOMSWYJRFPB-WBVHZDCISA-N 1 2 346.500 2.401 10 30 EEEELO C=C[C@@H](CC)CC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1cnn(C)n1)C2 ZINC001269693519 1184527517 /nfs/dbraw/zinc/52/75/17/1184527517.db2.gz WKRQJGVCCYQXDZ-QFBILLFUSA-N 1 2 345.491 2.232 10 30 EEEELO C=C[C@@H](CC)CC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1cnn(C)n1)C2 ZINC001269693519 1184527522 /nfs/dbraw/zinc/52/75/22/1184527522.db2.gz WKRQJGVCCYQXDZ-QFBILLFUSA-N 1 2 345.491 2.232 10 30 EEEELO C=CCCCC(=O)N1CCC2(C[NH+](CC(=O)NCC(C)C)C2)CC1 ZINC001482244242 1184635852 /nfs/dbraw/zinc/63/58/52/1184635852.db2.gz ZIJFIMITWYBMJX-UHFFFAOYSA-N 1 2 335.492 2.039 10 30 EEEELO CC(C)(C)C#CC(=O)NCc1ccc(C[NH2+]Cc2cnon2)cc1 ZINC001270060976 1184819576 /nfs/dbraw/zinc/81/95/76/1184819576.db2.gz SIWRQVWYNOZDNZ-UHFFFAOYSA-N 1 2 326.400 2.025 10 30 EEEELO C#CCN(C(=O)CC(C)C)C1CC[NH+]([C@@H](C)c2nnc(C)o2)CC1 ZINC001270279470 1184981828 /nfs/dbraw/zinc/98/18/28/1184981828.db2.gz LOPDAMRZVPTHQR-AWEZNQCLSA-N 1 2 332.448 2.411 10 30 EEEELO C#CCN(C(=O)c1nccs1)C1CC[NH+](Cc2coc(C)n2)CC1 ZINC001270351781 1185038270 /nfs/dbraw/zinc/03/82/70/1185038270.db2.gz TXWMORAOOAOWRU-UHFFFAOYSA-N 1 2 344.440 2.180 10 30 EEEELO Cc1[nH+]c[nH]c1CC(=O)N[C@H](CNCC#N)c1ccc2ccccc2c1 ZINC001270368245 1185051784 /nfs/dbraw/zinc/05/17/84/1185051784.db2.gz BLIJTQFRUSHHGN-LJQANCHMSA-N 1 2 347.422 2.385 10 30 EEEELO CCCc1noc(C[NH+]2CCC([C@H](C)NC(=O)C#CC(C)C)CC2)n1 ZINC001279130068 1185072225 /nfs/dbraw/zinc/07/22/25/1185072225.db2.gz WVOMHYROWIEJPQ-HNNXBMFYSA-N 1 2 346.475 2.398 10 30 EEEELO C=CCOCC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H](C)c2cccc(C)c2)C1 ZINC001270683429 1185310084 /nfs/dbraw/zinc/31/00/84/1185310084.db2.gz UXOQMKMCCVCUBD-HKUYNNGSSA-N 1 2 346.471 2.118 10 30 EEEELO C=CCOCC[N@H+]1CCO[C@@H](CNC(=O)[C@@H](C)c2cccc(C)c2)C1 ZINC001270683429 1185310091 /nfs/dbraw/zinc/31/00/91/1185310091.db2.gz UXOQMKMCCVCUBD-HKUYNNGSSA-N 1 2 346.471 2.118 10 30 EEEELO CCc1noc(C[NH2+]C[C@@H](C)N(C)C(=O)CC#Cc2ccccc2)n1 ZINC001482368051 1185528191 /nfs/dbraw/zinc/52/81/91/1185528191.db2.gz LZHPSIGSPVXOOE-OAHLLOKOSA-N 1 2 340.427 2.010 10 30 EEEELO C=CC1(CC(=O)N(C)CC[NH2+]Cc2nc(N(C)C)no2)CCCCC1 ZINC001691511586 1185568316 /nfs/dbraw/zinc/56/83/16/1185568316.db2.gz YBWCIMNOWJIRQS-UHFFFAOYSA-N 1 2 349.479 2.210 10 30 EEEELO C=C[C@@](C)(O)CC(=O)N(C)CC[N@H+](C)Cc1cc(-c2ccco2)on1 ZINC001482591467 1187161759 /nfs/dbraw/zinc/16/17/59/1187161759.db2.gz HNJOJDMKEKPIIM-GOSISDBHSA-N 1 2 347.415 2.152 10 30 EEEELO C=C[C@@](C)(O)CC(=O)N(C)CC[N@@H+](C)Cc1cc(-c2ccco2)on1 ZINC001482591467 1187161762 /nfs/dbraw/zinc/16/17/62/1187161762.db2.gz HNJOJDMKEKPIIM-GOSISDBHSA-N 1 2 347.415 2.152 10 30 EEEELO C=C(C)C[C@@H](C)C(=O)NCC1(NC(=O)Cn2cc[nH+]c2)CCCC1 ZINC001746235073 1187647583 /nfs/dbraw/zinc/64/75/83/1187647583.db2.gz DZIVWQGGTXVZMO-OAHLLOKOSA-N 1 2 332.448 2.031 10 30 EEEELO CC#CCCCC(=O)N[C@@H](C)CC[NH2+]Cc1nnsc1Cl ZINC001482862375 1187775610 /nfs/dbraw/zinc/77/56/10/1187775610.db2.gz RIDWKDZUBBUMHF-NSHDSACASA-N 1 2 328.869 2.370 10 30 EEEELO CCCCCCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCCCO1 ZINC001272850980 1193576566 /nfs/dbraw/zinc/57/65/66/1193576566.db2.gz LWPKHYHQKMXJEL-DLBZAZTESA-N 1 2 326.481 2.343 10 30 EEEELO CCCCCCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCCCO1 ZINC001272850980 1193576568 /nfs/dbraw/zinc/57/65/68/1193576568.db2.gz LWPKHYHQKMXJEL-DLBZAZTESA-N 1 2 326.481 2.343 10 30 EEEELO C=CC[C@@H]([NH2+]C1CCN(C(=O)CCc2ccccc2)CC1)C(=O)OC ZINC000905752370 1189910267 /nfs/dbraw/zinc/91/02/67/1189910267.db2.gz ZRAOEXBQTGFGJM-GOSISDBHSA-N 1 2 344.455 2.318 10 30 EEEELO C[C@@H]1[C@@H]([NH2+]Cc2nc(C3CCC3)no2)CCN1C(=O)C#CC(C)(C)C ZINC001486077651 1193681946 /nfs/dbraw/zinc/68/19/46/1193681946.db2.gz BDEBEHALCCWGGT-HIFRSBDPSA-N 1 2 344.459 2.466 10 30 EEEELO C#CCCCC(=O)NC[C@H]1CC[N@H+]1[C@H](C)C(=O)N(C)C1CCCCC1 ZINC001483646547 1190707655 /nfs/dbraw/zinc/70/76/55/1190707655.db2.gz BOXBOYRYFJLTHN-SJLPKXTDSA-N 1 2 347.503 2.160 10 30 EEEELO C#CCCCC(=O)NC[C@H]1CC[N@@H+]1[C@H](C)C(=O)N(C)C1CCCCC1 ZINC001483646547 1190707656 /nfs/dbraw/zinc/70/76/56/1190707656.db2.gz BOXBOYRYFJLTHN-SJLPKXTDSA-N 1 2 347.503 2.160 10 30 EEEELO C[C@H](C#N)C(=O)NCC1([NH2+]Cc2c(F)c(F)c(F)c(F)c2F)CC1 ZINC001483723437 1190820281 /nfs/dbraw/zinc/82/02/81/1190820281.db2.gz OASRKDLWCREYFW-SSDOTTSWSA-N 1 2 347.287 2.280 10 30 EEEELO C[C@H](C#N)C(=O)N[C@@]1(C)CC[N@H+](Cc2cc(-c3ccco3)on2)C1 ZINC001484037756 1191169395 /nfs/dbraw/zinc/16/93/95/1191169395.db2.gz OZHSKCRBNZOHMN-PXAZEXFGSA-N 1 2 328.372 2.175 10 30 EEEELO C[C@H](C#N)C(=O)N[C@@]1(C)CC[N@@H+](Cc2cc(-c3ccco3)on2)C1 ZINC001484037756 1191169397 /nfs/dbraw/zinc/16/93/97/1191169397.db2.gz OZHSKCRBNZOHMN-PXAZEXFGSA-N 1 2 328.372 2.175 10 30 EEEELO C#Cc1ccccc1CC(=O)N[C@]1(C)CC[N@@H+](Cc2coc(C)n2)C1 ZINC001484066496 1191186578 /nfs/dbraw/zinc/18/65/78/1191186578.db2.gz BOKAQZBHLWJENR-HXUWFJFHSA-N 1 2 337.423 2.288 10 30 EEEELO C#Cc1ccccc1CC(=O)N[C@]1(C)CC[N@H+](Cc2coc(C)n2)C1 ZINC001484066496 1191186580 /nfs/dbraw/zinc/18/65/80/1191186580.db2.gz BOKAQZBHLWJENR-HXUWFJFHSA-N 1 2 337.423 2.288 10 30 EEEELO C=CCCOCC(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2Cc1cc(C)on1 ZINC001484468172 1191373021 /nfs/dbraw/zinc/37/30/21/1191373021.db2.gz YQQUSFQBZCPSOH-DLBZAZTESA-N 1 2 333.432 2.141 10 30 EEEELO C=CCCOCC(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2Cc1cc(C)on1 ZINC001484468172 1191373023 /nfs/dbraw/zinc/37/30/23/1191373023.db2.gz YQQUSFQBZCPSOH-DLBZAZTESA-N 1 2 333.432 2.141 10 30 EEEELO C=C(C)CCC(=O)N[C@@H]1CCC[N@@H+]([C@@H](C)c2nnnn2C2CC2)CC1 ZINC001484714565 1191479060 /nfs/dbraw/zinc/47/90/60/1191479060.db2.gz CUHCJJCUOZYRIV-LSDHHAIUSA-N 1 2 346.479 2.396 10 30 EEEELO C=C(C)CCC(=O)N[C@@H]1CCC[N@H+]([C@@H](C)c2nnnn2C2CC2)CC1 ZINC001484714565 1191479062 /nfs/dbraw/zinc/47/90/62/1191479062.db2.gz CUHCJJCUOZYRIV-LSDHHAIUSA-N 1 2 346.479 2.396 10 30 EEEELO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H](C)c1c(C)noc1C)O2 ZINC001484787763 1191525884 /nfs/dbraw/zinc/52/58/84/1191525884.db2.gz KPTZZJIPEPEPNI-XJKSGUPXSA-N 1 2 347.459 2.321 10 30 EEEELO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H](CC)OC1CCCC1)O2 ZINC001484788263 1191526401 /nfs/dbraw/zinc/52/64/01/1191526401.db2.gz URLPJBAQZOGLTL-IAGOWNOFSA-N 1 2 336.476 2.260 10 30 EEEELO C=CCOCC(=O)NC[C@H]1Cc2ccccc2C[N@H+]1C/C=C\Cl ZINC001484822345 1191540880 /nfs/dbraw/zinc/54/08/80/1191540880.db2.gz PAEYCWKWIXSJTM-CTEOGUNLSA-N 1 2 334.847 2.485 10 30 EEEELO C=CCOCC(=O)NC[C@H]1Cc2ccccc2C[N@@H+]1C/C=C\Cl ZINC001484822345 1191540881 /nfs/dbraw/zinc/54/08/81/1191540881.db2.gz PAEYCWKWIXSJTM-CTEOGUNLSA-N 1 2 334.847 2.485 10 30 EEEELO COCC#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ccncc1 ZINC001485004905 1191611649 /nfs/dbraw/zinc/61/16/49/1191611649.db2.gz NOCJUKVHVWKWSE-FQEVSTJZSA-N 1 2 349.434 2.061 10 30 EEEELO COCC#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ccncc1 ZINC001485004905 1191611650 /nfs/dbraw/zinc/61/16/50/1191611650.db2.gz NOCJUKVHVWKWSE-FQEVSTJZSA-N 1 2 349.434 2.061 10 30 EEEELO CC(C)C[C@H](C(=O)NC[C@@H]1CCCCCN1CC#N)n1cc[nH+]c1 ZINC001485479051 1191806486 /nfs/dbraw/zinc/80/64/86/1191806486.db2.gz GIZGLYQFHRFYSC-DLBZAZTESA-N 1 2 331.464 2.355 10 30 EEEELO C#CCCCCC(=O)N[C@H](C)C1C[NH+](Cc2cc3n(n2)CCCC3)C1 ZINC001485500396 1191814463 /nfs/dbraw/zinc/81/44/63/1191814463.db2.gz ILODOHYOKVKPRG-MRXNPFEDSA-N 1 2 342.487 2.350 10 30 EEEELO C=CCC(C)(C)C(=O)N[C@H](C)C1CC[NH+](Cc2cnn(C)n2)CC1 ZINC001486440631 1193968999 /nfs/dbraw/zinc/96/89/99/1193968999.db2.gz VYTYNGGQPRMUKA-CQSZACIVSA-N 1 2 333.480 2.134 10 30 EEEELO C=C1CC(C)(C(=O)N(C)C[C@H]2CCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001486561512 1194075488 /nfs/dbraw/zinc/07/54/88/1194075488.db2.gz KUSKOVCBPMJBFT-MRXNPFEDSA-N 1 2 344.459 2.079 10 30 EEEELO C=C[C@](C)(CC)C(=O)N(C)C[C@@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001486567673 1194081601 /nfs/dbraw/zinc/08/16/01/1194081601.db2.gz UWUUNKYZGGVLSE-KBXCAEBGSA-N 1 2 332.448 2.004 10 30 EEEELO C=CCC1(C(=O)N[C@H](C)[C@@H](C)NC(=O)Cc2c[nH]c[nH+]2)CCCCC1 ZINC001486709447 1194181789 /nfs/dbraw/zinc/18/17/89/1194181789.db2.gz ZWLVYGZOEFYYCT-HUUCEWRRSA-N 1 2 346.475 2.488 10 30 EEEELO C[C@@H]1[C@@H](NC(=O)C#CC2CC2)CC[N@@H+]1Cc1nc2ccc(F)cc2o1 ZINC001691668497 1194333148 /nfs/dbraw/zinc/33/31/48/1194333148.db2.gz FRDFFBXAVKHQJZ-DOMZBBRYSA-N 1 2 341.386 2.459 10 30 EEEELO C[C@@H]1[C@@H](NC(=O)C#CC2CC2)CC[N@H+]1Cc1nc2ccc(F)cc2o1 ZINC001691668497 1194333152 /nfs/dbraw/zinc/33/31/52/1194333152.db2.gz FRDFFBXAVKHQJZ-DOMZBBRYSA-N 1 2 341.386 2.459 10 30 EEEELO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@H](C)c2c(C)nn(C)c2C)C1 ZINC001409969651 1195504181 /nfs/dbraw/zinc/50/41/81/1195504181.db2.gz LRZUZOPOBIRWIN-NEPJUHHUSA-N 1 2 338.883 2.329 10 30 EEEELO C=C(C)C(C)(C)C(=O)NC[C@@H](C)N(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001486949475 1197101833 /nfs/dbraw/zinc/10/18/33/1197101833.db2.gz AJAODLVERAKFRD-LSDHHAIUSA-N 1 2 334.464 2.400 10 30 EEEELO NC(=[NH+]OCC1OCCO1)c1ccc(COc2ccccc2F)cc1 ZINC000794714253 1197908318 /nfs/dbraw/zinc/90/83/18/1197908318.db2.gz CUZPLUJRJXIQQH-UHFFFAOYSA-N 1 2 346.358 2.415 10 30 EEEELO C=CCCC[C@H](C)NC(=O)C(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC000875228621 1199178485 /nfs/dbraw/zinc/17/84/85/1199178485.db2.gz JKSCUWCIZHZNLC-YOEHRIQHSA-N 1 2 329.444 2.150 10 30 EEEELO C=CCCC[C@H](C)NC(=O)C(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC000875228621 1199178489 /nfs/dbraw/zinc/17/84/89/1199178489.db2.gz JKSCUWCIZHZNLC-YOEHRIQHSA-N 1 2 329.444 2.150 10 30 EEEELO Cc1cc(C#N)cc(NC2CC[NH+](CC(=O)OC(C)(C)C)CC2)n1 ZINC000866169191 1201453524 /nfs/dbraw/zinc/45/35/24/1201453524.db2.gz CVCPLTRDBCAYKP-UHFFFAOYSA-N 1 2 330.432 2.480 10 30 EEEELO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)N[C@H]2Cc3ccc(C#N)cc3C2)C1 ZINC000869188809 1201958921 /nfs/dbraw/zinc/95/89/21/1201958921.db2.gz FNKLLBAWJUOVGT-AEFFLSMTSA-N 1 2 349.438 2.348 10 30 EEEELO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(CC)[C@@H](C)c1cccc(OC)c1 ZINC000884092102 1202229829 /nfs/dbraw/zinc/22/98/29/1202229829.db2.gz SIYQEXSKUPFKGQ-BBRMVZONSA-N 1 2 334.416 2.051 10 30 EEEELO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H](CCC)c1ccc(F)cc1F ZINC000884167869 1202247717 /nfs/dbraw/zinc/24/77/17/1202247717.db2.gz QQMGUSFUDBJIAM-LSDHHAIUSA-N 1 2 340.370 2.369 10 30 EEEELO C#CCOCCC(=O)N[C@@H]1CC[N@H+](Cc2coc(C3CC3)n2)[C@H](C)C1 ZINC001274622924 1205102781 /nfs/dbraw/zinc/10/27/81/1205102781.db2.gz HKJJOKYABZRWKU-GDBMZVCRSA-N 1 2 345.443 2.061 10 30 EEEELO C#CCOCCC(=O)N[C@@H]1CC[N@@H+](Cc2coc(C3CC3)n2)[C@H](C)C1 ZINC001274622924 1205102783 /nfs/dbraw/zinc/10/27/83/1205102783.db2.gz HKJJOKYABZRWKU-GDBMZVCRSA-N 1 2 345.443 2.061 10 30 EEEELO O=C(NC1(CO)CC[NH+](CC#Cc2ccccc2Cl)CC1)C1CC1 ZINC001274892044 1205201842 /nfs/dbraw/zinc/20/18/42/1205201842.db2.gz VWFNWGYDQLHBES-UHFFFAOYSA-N 1 2 346.858 2.045 10 30 EEEELO C#Cc1ccc(NC(=O)CC[N@@H+]2CCc3cc(Cl)nnc3C2)cc1 ZINC000930812727 1206585222 /nfs/dbraw/zinc/58/52/22/1206585222.db2.gz PQLAXMGDHQTGEI-UHFFFAOYSA-N 1 2 340.814 2.498 10 30 EEEELO C#Cc1ccc(NC(=O)CC[N@H+]2CCc3cc(Cl)nnc3C2)cc1 ZINC000930812727 1206585223 /nfs/dbraw/zinc/58/52/23/1206585223.db2.gz PQLAXMGDHQTGEI-UHFFFAOYSA-N 1 2 340.814 2.498 10 30 EEEELO C=CCC1(O)CC[NH+](Cc2ccc(Br)nc2N)CC1 ZINC000931750707 1207456154 /nfs/dbraw/zinc/45/61/54/1207456154.db2.gz NUHUCGRETNRLIF-UHFFFAOYSA-N 1 2 326.238 2.329 10 30 EEEELO C(#CC[NH2+][C@@H](c1ncccn1)C1CC1)CN[C@H](c1ncccn1)C1CC1 ZINC000932356543 1207589622 /nfs/dbraw/zinc/58/96/22/1207589622.db2.gz OMHQDHQODMSKHA-HDICACEKSA-N 1 2 348.454 2.052 10 30 EEEELO C(#CC[NH2+][C@H](c1ncccn1)C1CC1)CN[C@@H](c1ncccn1)C1CC1 ZINC000932356543 1207589624 /nfs/dbraw/zinc/58/96/24/1207589624.db2.gz OMHQDHQODMSKHA-HDICACEKSA-N 1 2 348.454 2.052 10 30 EEEELO C=CCCO[C@@H](C)C(=O)N[C@@H](C)C1C[NH+](Cc2ccc(F)cn2)C1 ZINC001276350261 1213876867 /nfs/dbraw/zinc/87/68/67/1213876867.db2.gz HJVIJODNYMKGSV-KBPBESRZSA-N 1 2 335.423 2.138 10 30 EEEELO COc1cc(C[N@@H+]2CCCC[C@H]2CNC(=O)C#CC2CC2)sn1 ZINC001491205328 1258774849 /nfs/dbraw/zinc/77/48/49/1258774849.db2.gz BVMRSFSYVCEMAS-AWEZNQCLSA-N 1 2 333.457 2.036 10 30 EEEELO COc1cc(C[N@H+]2CCCC[C@H]2CNC(=O)C#CC2CC2)sn1 ZINC001491205328 1258774854 /nfs/dbraw/zinc/77/48/54/1258774854.db2.gz BVMRSFSYVCEMAS-AWEZNQCLSA-N 1 2 333.457 2.036 10 30 EEEELO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H](CCC)OCC ZINC001273825430 1286490323 /nfs/dbraw/zinc/49/03/23/1286490323.db2.gz QQHGIXUJVAIBKK-RBUKOAKNSA-N 1 2 328.456 2.368 10 30 EEEELO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H](CCC)OCC ZINC001273825430 1286490329 /nfs/dbraw/zinc/49/03/29/1286490329.db2.gz QQHGIXUJVAIBKK-RBUKOAKNSA-N 1 2 328.456 2.368 10 30 EEEELO CC(C)(C)c1cnc(C[NH2+]C/C=C\CNC(=O)c2cc(C#N)c[nH]2)o1 ZINC001273939938 1289957467 /nfs/dbraw/zinc/95/74/67/1289957467.db2.gz QTKGTNUVYRTIPI-PLNGDYQASA-N 1 2 341.415 2.248 10 30 EEEELO C=C(C)CCC(=O)N1CC[C@@H](CNC(=O)CCc2[nH]cc[nH+]2)[C@@H](C)C1 ZINC001489189824 1290430435 /nfs/dbraw/zinc/43/04/35/1290430435.db2.gz PEKMUVWHXGGUHS-HOTGVXAUSA-N 1 2 346.475 2.299 10 30 EEEELO C=C[C@@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CCn1cc[nH+]c1 ZINC001490683758 1291565826 /nfs/dbraw/zinc/56/58/26/1291565826.db2.gz KIPVZVWBSJBXBZ-YVSFHVDLSA-N 1 2 344.459 2.124 10 30 EEEELO C#C[C@H](NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1)C1CCOCC1 ZINC000856100526 1293404773 /nfs/dbraw/zinc/40/47/73/1293404773.db2.gz OZMANGLJEHMACP-ROUUACIJSA-N 1 2 337.423 2.476 10 30 EEEELO C[C@@H](NC(=O)C(C)(C)c1ccc(C#N)cc1)[C@H](C)[NH+]1CCOCC1 ZINC000859228453 1294355289 /nfs/dbraw/zinc/35/52/89/1294355289.db2.gz SEHSQXYEBSXMCK-CABCVRRESA-N 1 2 329.444 2.061 10 30 EEEELO CCOCC[NH+]1CCN(C(=O)C(C)(C)c2ccc(C#N)cc2)CC1 ZINC000859324470 1294394440 /nfs/dbraw/zinc/39/44/40/1294394440.db2.gz LNXZNPKKRSIPMM-UHFFFAOYSA-N 1 2 329.444 2.017 10 30 EEEELO N#CCc1cccc2c1CC[N@@H+](CCn1cnc(Br)n1)C2 ZINC000860108856 1294812726 /nfs/dbraw/zinc/81/27/26/1294812726.db2.gz KDBWAMIJCXJPRD-UHFFFAOYSA-N 1 2 346.232 2.165 10 30 EEEELO N#CCc1cccc2c1CC[N@H+](CCn1cnc(Br)n1)C2 ZINC000860108856 1294812736 /nfs/dbraw/zinc/81/27/36/1294812736.db2.gz KDBWAMIJCXJPRD-UHFFFAOYSA-N 1 2 346.232 2.165 10 30 EEEELO C=C[C@](C)(CC)C(=O)N1CCC(N(C)C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001287372300 1327487193 /nfs/dbraw/zinc/48/71/93/1327487193.db2.gz RWKFVNPUEFZRNG-LJQANCHMSA-N 1 2 346.475 2.394 10 30 EEEELO C=C[C@](C)(CC)C(=O)N1CCC(N(C)C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001287372300 1327487195 /nfs/dbraw/zinc/48/71/95/1327487195.db2.gz RWKFVNPUEFZRNG-LJQANCHMSA-N 1 2 346.475 2.394 10 30 EEEELO COCC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc2ccccc2cc1F ZINC001276883205 1300098267 /nfs/dbraw/zinc/09/82/67/1300098267.db2.gz FNZIQHLJNZQZFL-QGZVFWFLSA-N 1 2 340.398 2.433 10 30 EEEELO COCC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc2ccccc2cc1F ZINC001276883205 1300098282 /nfs/dbraw/zinc/09/82/82/1300098282.db2.gz FNZIQHLJNZQZFL-QGZVFWFLSA-N 1 2 340.398 2.433 10 30 EEEELO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]1CNC(=O)C1CCCCCCC1 ZINC001276883539 1300100214 /nfs/dbraw/zinc/10/02/14/1300100214.db2.gz JXZZLZAVMKUUPH-NVXWUHKLSA-N 1 2 335.492 2.228 10 30 EEEELO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H]1CNC(=O)C1CCCCCCC1 ZINC001276883539 1300100221 /nfs/dbraw/zinc/10/02/21/1300100221.db2.gz JXZZLZAVMKUUPH-NVXWUHKLSA-N 1 2 335.492 2.228 10 30 EEEELO C#CCN(C(=O)C[C@H](C)SC)C1CC[NH+](Cc2ncccn2)CC1 ZINC001278144646 1306086240 /nfs/dbraw/zinc/08/62/40/1306086240.db2.gz OQCAEPLZTGCVML-HNNXBMFYSA-N 1 2 346.500 2.044 10 30 EEEELO C=CCCOCC(=O)N[C@@]1(C)CC[N@H+](Cc2nc3c(o2)CCCC3)C1 ZINC001278450938 1310321989 /nfs/dbraw/zinc/32/19/89/1310321989.db2.gz STUVNEUEHLULGM-IBGZPJMESA-N 1 2 347.459 2.227 10 30 EEEELO C=CCCOCC(=O)N[C@@]1(C)CC[N@@H+](Cc2nc3c(o2)CCCC3)C1 ZINC001278450938 1310322005 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EEEELO C#CCCCS(=O)(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000376353520 466907096 /nfs/dbraw/zinc/90/70/96/466907096.db2.gz YPNRECUAPJBBNN-HOTGVXAUSA-N 1 2 342.411 2.043 10 30 EEEELO C#CCCCS(=O)(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000376353520 466907101 /nfs/dbraw/zinc/90/71/01/466907101.db2.gz YPNRECUAPJBBNN-HOTGVXAUSA-N 1 2 342.411 2.043 10 30 EEEELO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@]23CCOC3)c1C ZINC000421017031 467528821 /nfs/dbraw/zinc/52/88/21/467528821.db2.gz JQLJKOWNBUCOAC-IBGZPJMESA-N 1 2 327.428 2.415 10 30 EEEELO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CC[C@@]23CCOC3)c1C ZINC000421017031 467528824 /nfs/dbraw/zinc/52/88/24/467528824.db2.gz JQLJKOWNBUCOAC-IBGZPJMESA-N 1 2 327.428 2.415 10 30 EEEELO COC(=O)C(C)(C)N1CC[NH+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000494411841 468053475 /nfs/dbraw/zinc/05/34/75/468053475.db2.gz AEJFKBCWWLQZLN-UHFFFAOYSA-N 1 2 334.847 2.261 10 30 EEEELO C[N@@H+]1CC[C@@H](NC(=O)c2cccc(C#N)n2)[C@H]1c1ccc(F)c(F)c1 ZINC000589469259 468153861 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C=C(C)C(C)(C)C(=O)N(C)CC[NH2+]Cc1noc(-c2ccoc2)n1 ZINC001493654373 1197353514 /nfs/dbraw/zinc/35/35/14/1197353514.db2.gz YSAWCRKKQVVAPC-UHFFFAOYSA-N 1 2 332.404 2.480 10 30 EEEELO C[C@H](C#N)C(=O)N[C@@H](C[NH2+]Cc1noc(C(C)(C)C)n1)C(C)(C)C ZINC001411213232 1198922713 /nfs/dbraw/zinc/92/27/13/1198922713.db2.gz UYBNBSYQHHANMQ-NEPJUHHUSA-N 1 2 335.452 2.147 10 30 EEEELO C#CCN(C(=O)NC[C@@H]1C[N@H+](Cc2ccc(C)cc2)CCO1)C1CC1 ZINC000876195834 1199537864 /nfs/dbraw/zinc/53/78/64/1199537864.db2.gz BWXNCFVXEKCFGG-LJQANCHMSA-N 1 2 341.455 2.003 10 30 EEEELO C#CCN(C(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C)cc2)CCO1)C1CC1 ZINC000876195834 1199537866 /nfs/dbraw/zinc/53/78/66/1199537866.db2.gz BWXNCFVXEKCFGG-LJQANCHMSA-N 1 2 341.455 2.003 10 30 EEEELO N#Cc1cc(C(=O)N(CCn2cc[nH+]c2)C2CCSCC2)co1 ZINC000868244130 1201774098 /nfs/dbraw/zinc/77/40/98/1201774098.db2.gz SGKCIVMHRGXMMQ-UHFFFAOYSA-N 1 2 330.413 2.386 10 30 EEEELO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCc2cc(C(C)(C)C)ccc21 ZINC000884118076 1202236754 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COCC#CC[N@H+]1Cc2ccc(CNC(=O)c3cscn3)cc2C1 ZINC001484874111 1191558035 /nfs/dbraw/zinc/55/80/35/1191558035.db2.gz FGXXOGTXHSJYCL-UHFFFAOYSA-N 1 2 341.436 2.039 10 30 EEEELO CCc1cccc(C)c1NC(=O)C[N@H+](C)[C@H](C)CNC(=O)[C@H](C)C#N ZINC001485285397 1191717041 /nfs/dbraw/zinc/71/70/41/1191717041.db2.gz CRAQSHXANNFEOU-HUUCEWRRSA-N 1 2 344.459 2.092 10 30 EEEELO CCc1cccc(C)c1NC(=O)C[N@@H+](C)[C@H](C)CNC(=O)[C@H](C)C#N ZINC001485285397 1191717043 /nfs/dbraw/zinc/71/70/43/1191717043.db2.gz CRAQSHXANNFEOU-HUUCEWRRSA-N 1 2 344.459 2.092 10 30 EEEELO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CCN(CC(F)(F)F)C1 ZINC001485343549 1191747545 /nfs/dbraw/zinc/74/75/45/1191747545.db2.gz GRCLOUIKTXLBIG-NEPJUHHUSA-N 1 2 341.805 2.060 10 30 EEEELO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCN(CC(F)(F)F)C1 ZINC001485343549 1191747547 /nfs/dbraw/zinc/74/75/47/1191747547.db2.gz GRCLOUIKTXLBIG-NEPJUHHUSA-N 1 2 341.805 2.060 10 30 EEEELO C[C@@H](C#N)C(=O)N[C@@H](C)C1CC[NH+](Cc2nc(C3CCC3)no2)CC1 ZINC001486444659 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2.248 10 30 EEEELO C=CCOc1cccc(C[NH2+]Cc2nc3c(c(=O)[nH]2)COCC3)c1 ZINC000865867246 1198408101 /nfs/dbraw/zinc/40/81/01/1198408101.db2.gz HQAJYRTYUSMARK-UHFFFAOYSA-N 1 2 327.384 2.110 10 30 EEEELO C=C(Cl)C[N@@H+](C)CCN(C(=O)C[C@@H]1CCOC[C@H]1OC)C(C)C ZINC001411196172 1198893565 /nfs/dbraw/zinc/89/35/65/1198893565.db2.gz SQAQRCLEERAWDM-JKSUJKDBSA-N 1 2 346.899 2.349 10 30 EEEELO C=C(Cl)C[N@H+](C)CCN(C(=O)C[C@@H]1CCOC[C@H]1OC)C(C)C ZINC001411196172 1198893569 /nfs/dbraw/zinc/89/35/69/1198893569.db2.gz SQAQRCLEERAWDM-JKSUJKDBSA-N 1 2 346.899 2.349 10 30 EEEELO CC1(O)CCN(c2cc(N[C@@H]3Cc4ccc(C#N)cc4C3)[nH+]cn2)CC1 ZINC000866259534 1201478354 /nfs/dbraw/zinc/47/83/54/1201478354.db2.gz NSEOXIZBUPIDHR-QGZVFWFLSA-N 1 2 349.438 2.279 10 30 EEEELO CC1(O)CCN(c2cc(N[C@@H]3Cc4ccc(C#N)cc4C3)nc[nH+]2)CC1 ZINC000866259534 1201478358 /nfs/dbraw/zinc/47/83/58/1201478358.db2.gz NSEOXIZBUPIDHR-QGZVFWFLSA-N 1 2 349.438 2.279 10 30 EEEELO C[C@@H]([NH2+]C[C@@H](N1CCOCC1)C(F)(F)F)c1cccc(C#N)c1O ZINC000866359478 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2.331 10 30 EEEELO C=CCCC[C@H](NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccn1)C(=O)OC ZINC000928317743 1206372362 /nfs/dbraw/zinc/37/23/62/1206372362.db2.gz LZGNAHKPTDPMKN-IRXDYDNUSA-N 1 2 345.443 2.060 10 30 EEEELO C=CCCC[C@H](NC(=O)[C@@H]1CCC[N@H+]1Cc1ccccn1)C(=O)OC ZINC000928317743 1206372364 /nfs/dbraw/zinc/37/23/64/1206372364.db2.gz LZGNAHKPTDPMKN-IRXDYDNUSA-N 1 2 345.443 2.060 10 30 EEEELO C=CC[N@H+](Cc1ccccc1F)C[C@@H]1CN=C(c2cnn(C)c2)O1 ZINC000929328301 1206465618 /nfs/dbraw/zinc/46/56/18/1206465618.db2.gz QTBNARAFRJZROV-INIZCTEOSA-N 1 2 328.391 2.393 10 30 EEEELO C=CC[N@@H+](Cc1ccccc1F)C[C@@H]1CN=C(c2cnn(C)c2)O1 ZINC000929328301 1206465619 /nfs/dbraw/zinc/46/56/19/1206465619.db2.gz QTBNARAFRJZROV-INIZCTEOSA-N 1 2 328.391 2.393 10 30 EEEELO COc1cncc(N2CC[NH+](Cc3ccc(C#N)cc3F)CC2)c1 ZINC000931208052 1206615787 /nfs/dbraw/zinc/61/57/87/1206615787.db2.gz AMMZUCMCNCOCCB-UHFFFAOYSA-N 1 2 326.375 2.423 10 30 EEEELO Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000779096378 1208502322 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/nfs/dbraw/zinc/71/04/71/779710471.db2.gz IOPZUHDRHRNRES-LSDHHAIUSA-N 1 2 345.491 2.449 10 30 EEEELO C=C1CC(C)(C(=O)N[C@@H]2CC[N@H+]([C@@H](C)c3nncn3C)CC2(C)C)C1 ZINC000941016701 779710479 /nfs/dbraw/zinc/71/04/79/779710479.db2.gz IOPZUHDRHRNRES-LSDHHAIUSA-N 1 2 345.491 2.449 10 30 EEEELO Cn1cc(C#N)cc1C(=O)OCc1cccc(C[NH+]2CCOCC2)c1 ZINC000817184470 784562977 /nfs/dbraw/zinc/56/29/77/784562977.db2.gz LUNYTTZZFBPOKF-UHFFFAOYSA-N 1 2 339.395 2.086 10 30 EEEELO C[C@H](c1nnnn1-c1ccccc1)[N@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000844370290 789027320 /nfs/dbraw/zinc/02/73/20/789027320.db2.gz QMZQUFCRNZIDMU-KDOFPFPSSA-N 1 2 348.410 2.260 10 30 EEEELO C[C@H](c1nnnn1-c1ccccc1)[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000844370290 789027332 /nfs/dbraw/zinc/02/73/32/789027332.db2.gz QMZQUFCRNZIDMU-KDOFPFPSSA-N 1 2 348.410 2.260 10 30 EEEELO C=CCc1ccc(OCC(=O)NCc2c[nH+]c(CC)[nH]2)c(OC)c1 ZINC001178662347 799567883 /nfs/dbraw/zinc/56/78/83/799567883.db2.gz LACGHDKUUBAABL-UHFFFAOYSA-N 1 2 329.400 2.404 10 30 EEEELO C=CCc1ccc(OCC(=O)NCc2c[nH]c(CC)[nH+]2)c(OC)c1 ZINC001178662347 799567885 /nfs/dbraw/zinc/56/78/85/799567885.db2.gz LACGHDKUUBAABL-UHFFFAOYSA-N 1 2 329.400 2.404 10 30 EEEELO C#CCn1ccc(C[N@@H+](CCOC)Cc2cc(C)cc(OC)c2O)n1 ZINC000788364842 807497871 /nfs/dbraw/zinc/49/78/71/807497871.db2.gz ANQCMLLIAMTWEW-UHFFFAOYSA-N 1 2 343.427 2.188 10 30 EEEELO C#CCn1ccc(C[N@H+](CCOC)Cc2cc(C)cc(OC)c2O)n1 ZINC000788364842 807497876 /nfs/dbraw/zinc/49/78/76/807497876.db2.gz ANQCMLLIAMTWEW-UHFFFAOYSA-N 1 2 343.427 2.188 10 30 EEEELO C#CCCS(=O)(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000808302846 812580175 /nfs/dbraw/zinc/58/01/75/812580175.db2.gz JFIIFTYRBSIVLM-KRWDZBQOSA-N 1 2 331.441 2.184 10 30 EEEELO CC#CCCCC(=O)NC[C@H](C)N(C)C(=O)c1cccc2[nH+]ccn21 ZINC001571861523 1125568958 /nfs/dbraw/zinc/56/89/58/1125568958.db2.gz ZRVNMOGSLQDENR-HNNXBMFYSA-N 1 2 340.427 2.105 10 30 EEEELO CC(=O)N1CCc2sc(C[NH2+]CC#Cc3ccccc3)nc2C1 ZINC001566124892 1125573894 /nfs/dbraw/zinc/57/38/94/1125573894.db2.gz LQZOQOSXYKILMO-UHFFFAOYSA-N 1 2 325.437 2.189 10 30 EEEELO CCO[C@H](CC)C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001436722639 1088189450 /nfs/dbraw/zinc/18/94/50/1088189450.db2.gz SEKOXTLQPBSTHD-DOTOQJQBSA-N 1 2 333.407 2.203 10 30 EEEELO CCO[C@H](CC)C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001436722639 1088189454 /nfs/dbraw/zinc/18/94/54/1088189454.db2.gz SEKOXTLQPBSTHD-DOTOQJQBSA-N 1 2 333.407 2.203 10 30 EEEELO C=C(Br)C[N@H+](CCC)CCNC(=O)c1nccs1 ZINC001437762248 1090339155 /nfs/dbraw/zinc/33/91/55/1090339155.db2.gz QTUQDXURRGEOLQ-UHFFFAOYSA-N 1 2 332.267 2.494 10 30 EEEELO C=C(Br)C[N@@H+](CCC)CCNC(=O)c1nccs1 ZINC001437762248 1090339162 /nfs/dbraw/zinc/33/91/62/1090339162.db2.gz QTUQDXURRGEOLQ-UHFFFAOYSA-N 1 2 332.267 2.494 10 30 EEEELO CC(C)CO[C@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001438203382 1090694705 /nfs/dbraw/zinc/69/47/05/1090694705.db2.gz MNKRPAAJCDISJH-RHSMWYFYSA-N 1 2 347.434 2.449 10 30 EEEELO CC(C)CO[C@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001438203382 1090694707 /nfs/dbraw/zinc/69/47/07/1090694707.db2.gz MNKRPAAJCDISJH-RHSMWYFYSA-N 1 2 347.434 2.449 10 30 EEEELO C=C(Br)C[NH2+][C@H](CC)CNC(=O)C(F)C(F)(F)F ZINC001438298787 1090779496 /nfs/dbraw/zinc/77/94/96/1090779496.db2.gz NPBGGEYTUNHKJB-HTQZYQBOSA-N 1 2 335.139 2.280 10 30 EEEELO C=C(Br)C[NH2+][C@H](CC)CNC(=O)[C@@H](F)C(F)(F)F ZINC001438298787 1090779498 /nfs/dbraw/zinc/77/94/98/1090779498.db2.gz NPBGGEYTUNHKJB-HTQZYQBOSA-N 1 2 335.139 2.280 10 30 EEEELO C=C(Br)C[NH2+]C[C@@H](C)N(C)C(=O)C(F)C(F)(F)F ZINC001438654373 1091127027 /nfs/dbraw/zinc/12/70/27/1091127027.db2.gz PZAIMPMNEVOHOF-SFYZADRCSA-N 1 2 335.139 2.232 10 30 EEEELO C=C(Br)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H](F)C(F)(F)F ZINC001438654373 1091127030 /nfs/dbraw/zinc/12/70/30/1091127030.db2.gz PZAIMPMNEVOHOF-SFYZADRCSA-N 1 2 335.139 2.232 10 30 EEEELO CCn1ccc(C(=O)N(C)CC[N@H+](C)Cc2cc(F)ccc2C#N)n1 ZINC001438916016 1091576589 /nfs/dbraw/zinc/57/65/89/1091576589.db2.gz IKXOOKAHRLNJAT-UHFFFAOYSA-N 1 2 343.406 2.118 10 30 EEEELO CCn1ccc(C(=O)N(C)CC[N@@H+](C)Cc2cc(F)ccc2C#N)n1 ZINC001438916016 1091576595 /nfs/dbraw/zinc/57/65/95/1091576595.db2.gz IKXOOKAHRLNJAT-UHFFFAOYSA-N 1 2 343.406 2.118 10 30 EEEELO C[C@H](C[N@H+](C)Cc1noc2c1CCCC2)NC(=O)c1ccc(C#N)[nH]1 ZINC001439323914 1091999911 /nfs/dbraw/zinc/99/99/11/1091999911.db2.gz XRMPRYWUOOLPKB-GFCCVEGCSA-N 1 2 341.415 2.003 10 30 EEEELO C[C@H](C[N@@H+](C)Cc1noc2c1CCCC2)NC(=O)c1ccc(C#N)[nH]1 ZINC001439323914 1091999915 /nfs/dbraw/zinc/99/99/15/1091999915.db2.gz XRMPRYWUOOLPKB-GFCCVEGCSA-N 1 2 341.415 2.003 10 30 EEEELO CC(C)Cc1noc(C[N@@H+]2CC[C@H](NC(=O)[C@H](C)C#N)C(C)(C)C2)n1 ZINC001440615694 1093881537 /nfs/dbraw/zinc/88/15/37/1093881537.db2.gz CTAIALWGFXBDQJ-KGLIPLIRSA-N 1 2 347.463 2.144 10 30 EEEELO CC(C)Cc1noc(C[N@H+]2CC[C@H](NC(=O)[C@H](C)C#N)C(C)(C)C2)n1 ZINC001440615694 1093881544 /nfs/dbraw/zinc/88/15/44/1093881544.db2.gz CTAIALWGFXBDQJ-KGLIPLIRSA-N 1 2 347.463 2.144 10 30 EEEELO C=C(Cl)C(C)(C)C(=O)N(C)CCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001448861572 1093911996 /nfs/dbraw/zinc/91/19/96/1093911996.db2.gz IUEQVTQZYATRLU-GFCCVEGCSA-N 1 2 340.855 2.188 10 30 EEEELO C=C(Cl)C[N@@H+](C)CCN(C(=O)c1ncnc2[nH]ccc21)C(C)C ZINC001442109430 1096336701 /nfs/dbraw/zinc/33/67/01/1096336701.db2.gz CSPYSYJJNMAAJQ-UHFFFAOYSA-N 1 2 335.839 2.444 10 30 EEEELO C=C(Cl)C[N@H+](C)CCN(C(=O)c1ncnc2[nH]ccc21)C(C)C ZINC001442109430 1096336708 /nfs/dbraw/zinc/33/67/08/1096336708.db2.gz CSPYSYJJNMAAJQ-UHFFFAOYSA-N 1 2 335.839 2.444 10 30 EEEELO C=C(Br)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H](OC)C(C)C ZINC001442795122 1097175261 /nfs/dbraw/zinc/17/52/61/1097175261.db2.gz AQZLKDWDFAVTDG-CHWSQXEVSA-N 1 2 333.270 2.147 10 30 EEEELO C=C(Br)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](OC)C(C)C ZINC001442795122 1097175265 /nfs/dbraw/zinc/17/52/65/1097175265.db2.gz AQZLKDWDFAVTDG-CHWSQXEVSA-N 1 2 333.270 2.147 10 30 EEEELO CCC[C@@H](C)C(=O)N1CCc2sc(C[NH2+]CC#CCOC)nc2C1 ZINC001479740509 1098859212 /nfs/dbraw/zinc/85/92/12/1098859212.db2.gz AHTVMAPOBNJFOG-CQSZACIVSA-N 1 2 349.500 2.203 10 30 EEEELO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@H](OC)c2cccc(OC)c2)C1 ZINC001479959293 1099400696 /nfs/dbraw/zinc/40/06/96/1099400696.db2.gz KXQSJLDYMLIIGV-GDBMZVCRSA-N 1 2 338.835 2.326 10 30 EEEELO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@H](OC)c2cccc(OC)c2)C1 ZINC001479959293 1099400701 /nfs/dbraw/zinc/40/07/01/1099400701.db2.gz KXQSJLDYMLIIGV-GDBMZVCRSA-N 1 2 338.835 2.326 10 30 EEEELO CC#CCCCC(=O)N[C@H](C)[C@H]1CCC[N@@H+](Cc2cnn(CC)n2)C1 ZINC001480383274 1100177023 /nfs/dbraw/zinc/17/70/23/1100177023.db2.gz PMIMGDDJHWPEPI-SJORKVTESA-N 1 2 345.491 2.208 10 30 EEEELO CC#CCCCC(=O)N[C@H](C)[C@H]1CCC[N@H+](Cc2cnn(CC)n2)C1 ZINC001480383274 1100177028 /nfs/dbraw/zinc/17/70/28/1100177028.db2.gz PMIMGDDJHWPEPI-SJORKVTESA-N 1 2 345.491 2.208 10 30 EEEELO CC#CCCCC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](Cc2cnn(CC)n2)C1 ZINC001480383271 1100177466 /nfs/dbraw/zinc/17/74/66/1100177466.db2.gz PMIMGDDJHWPEPI-DLBZAZTESA-N 1 2 345.491 2.208 10 30 EEEELO CC#CCCCC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](Cc2cnn(CC)n2)C1 ZINC001480383271 1100177472 /nfs/dbraw/zinc/17/74/72/1100177472.db2.gz PMIMGDDJHWPEPI-DLBZAZTESA-N 1 2 345.491 2.208 10 30 EEEELO C[C@H](CNC(=O)C(F)C(F)(F)F)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001480463120 1100268261 /nfs/dbraw/zinc/26/82/61/1100268261.db2.gz BBWHTZHBEIZWHS-PELKAZGASA-N 1 2 335.276 2.192 10 30 EEEELO C[C@H](CNC(=O)[C@H](F)C(F)(F)F)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001480463120 1100268267 /nfs/dbraw/zinc/26/82/67/1100268267.db2.gz BBWHTZHBEIZWHS-PELKAZGASA-N 1 2 335.276 2.192 10 30 EEEELO C=C(C)CCC(=O)N1CCC[C@@H](N(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001495386973 1101106611 /nfs/dbraw/zinc/10/66/11/1101106611.db2.gz YKQMEQVSHUKOLA-OAHLLOKOSA-N 1 2 346.475 2.493 10 30 EEEELO C[C@@H]1CCCC[C@@H]1NC(=O)C[N@H+](C)CCN(C)C(=O)C#CC(C)(C)C ZINC001496699631 1101296827 /nfs/dbraw/zinc/29/68/27/1101296827.db2.gz YXEHIPMGIRGHRG-SJORKVTESA-N 1 2 349.519 2.121 10 30 EEEELO C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+](C)CCN(C)C(=O)C#CC(C)(C)C ZINC001496699631 1101296835 /nfs/dbraw/zinc/29/68/35/1101296835.db2.gz YXEHIPMGIRGHRG-SJORKVTESA-N 1 2 349.519 2.121 10 30 EEEELO C=C(C)C[C@H](C)C(=O)N1CCC[C@@H]1CCCNC(=O)Cn1cc[nH+]c1 ZINC001495774080 1101573766 /nfs/dbraw/zinc/57/37/66/1101573766.db2.gz PORUXSNSBUIYKA-IRXDYDNUSA-N 1 2 346.475 2.373 10 30 EEEELO C#CCCCC(=O)NC[C@@H]1CCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001497068125 1101917365 /nfs/dbraw/zinc/91/73/65/1101917365.db2.gz KRTHHEOAPHQLLF-HNNXBMFYSA-N 1 2 338.411 2.087 10 30 EEEELO C=C(C)C[C@@H](C)C(=O)N1CCC[C@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001497131935 1101999957 /nfs/dbraw/zinc/99/99/57/1101999957.db2.gz QRDZBOYVQPQNCI-CVEARBPZSA-N 1 2 346.475 2.062 10 30 EEEELO C=C(Br)C[NH2+]CC[C@@H](C)NC(=O)c1[nH]nc(C)c1C ZINC001497151118 1102033739 /nfs/dbraw/zinc/03/37/39/1102033739.db2.gz CUUBMLVHNXVSBK-SECBINFHSA-N 1 2 329.242 2.033 10 30 EEEELO CCN(CC[NH2+][C@H](C)c1nc(C(C)C)no1)C(=O)c1ccc(C#N)[nH]1 ZINC001497371971 1102399274 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BCYSPIWVCOCYFZ-LJQANCHMSA-N 1 2 346.475 2.299 10 30 EEEELO C#CC[NH+]1CCN(c2nnc(C)n2CCCc2cccc(F)c2)CC1 ZINC001539431218 1124057631 /nfs/dbraw/zinc/05/76/31/1124057631.db2.gz RCSCBDZLTMDZPF-UHFFFAOYSA-N 1 2 341.434 2.114 10 30 EEEELO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H](C)Cc2ccc(F)cc2)C1 ZINC001568229763 1124374616 /nfs/dbraw/zinc/37/46/16/1124374616.db2.gz LALRWJDYNAFSRX-MAUKXSAKSA-N 1 2 334.435 2.397 10 30 EEEELO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)[C@@H](C)Cc2ccc(F)cc2)C1 ZINC001568229763 1124374620 /nfs/dbraw/zinc/37/46/20/1124374620.db2.gz LALRWJDYNAFSRX-MAUKXSAKSA-N 1 2 334.435 2.397 10 30 EEEELO C=C[C@@](C)(O)CC(=O)N1CCC2(C[NH+]([C@@H](C)c3ncc(C)o3)C2)CC1 ZINC001568249732 1124385107 /nfs/dbraw/zinc/38/51/07/1124385107.db2.gz HLELQVGEXGLCBY-MAUKXSAKSA-N 1 2 347.459 2.296 10 30 EEEELO CC(C)(C)c1ccc(/C=N/NC(=S)NCC[NH+]2CCOCC2)cc1 ZINC000021486932 212226510 /nfs/dbraw/zinc/22/65/10/212226510.db2.gz PDPGKKOUYSVOOH-XSFVSMFZSA-N 1 2 348.516 2.114 10 30 EEEELO C[N@H+](CCCNC(=O)C1CCC1)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459418945 245115170 /nfs/dbraw/zinc/11/51/70/245115170.db2.gz GQQMYGZHTYWNIR-UHFFFAOYSA-N 1 2 330.388 2.205 10 30 EEEELO C[N@@H+](CCCNC(=O)C1CCC1)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459418945 245115177 /nfs/dbraw/zinc/11/51/77/245115177.db2.gz GQQMYGZHTYWNIR-UHFFFAOYSA-N 1 2 330.388 2.205 10 30 EEEELO N#Cc1cccc(N2CC[NH+](Cc3nnc(-c4ccccc4)o3)CC2)n1 ZINC000355130925 163089600 /nfs/dbraw/zinc/08/96/00/163089600.db2.gz UFCBKRZYIOVSPN-UHFFFAOYSA-N 1 2 346.394 2.325 10 30 EEEELO Cc1nc([C@@](C)([NH2+]CCC(=O)Nc2ccccc2C#N)C2CC2)no1 ZINC000411782998 270019648 /nfs/dbraw/zinc/01/96/48/270019648.db2.gz KNOSWRQELHPURJ-SFHVURJKSA-N 1 2 339.399 2.493 10 30 EEEELO N#Cc1ccc(N2CC[NH+](C[C@H](O)c3cc(F)ccc3F)CC2)nc1 ZINC000299049311 268119120 /nfs/dbraw/zinc/11/91/20/268119120.db2.gz LHCVHNIUGUIBEX-KRWDZBQOSA-N 1 2 344.365 2.087 10 30 EEEELO N#Cc1ccc(-c2nnc(C[N@@H+]3CC[C@H]4CC[C@@H](C3)[S@]4=O)o2)cc1 ZINC000528781093 268196665 /nfs/dbraw/zinc/19/66/65/268196665.db2.gz JZMWDCFURDSPIP-JPMUSVJPSA-N 1 2 342.424 2.094 10 30 EEEELO N#Cc1ccc(-c2nnc(C[N@H+]3CC[C@H]4CC[C@@H](C3)[S@]4=O)o2)cc1 ZINC000528781093 268196666 /nfs/dbraw/zinc/19/66/66/268196666.db2.gz JZMWDCFURDSPIP-JPMUSVJPSA-N 1 2 342.424 2.094 10 30 EEEELO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCO[C@H](c2cccs2)C1 ZINC000528407522 268301081 /nfs/dbraw/zinc/30/10/81/268301081.db2.gz ZRHUSGVPFCPJSJ-WBVHZDCISA-N 1 2 344.436 2.433 10 30 EEEELO N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCO[C@H](c2cccs2)C1 ZINC000528407522 268301084 /nfs/dbraw/zinc/30/10/84/268301084.db2.gz ZRHUSGVPFCPJSJ-WBVHZDCISA-N 1 2 344.436 2.433 10 30 EEEELO C[C@H](C(=O)N[C@@H](C)c1ccccc1)[N@@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000329052999 465218840 /nfs/dbraw/zinc/21/88/40/465218840.db2.gz AEHLPFUWHOZIGF-LQKXBSAESA-N 1 2 336.457 2.212 10 30 EEEELO C[C@H](C(=O)N[C@@H](C)c1ccccc1)[N@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000329052999 465218844 /nfs/dbraw/zinc/21/88/44/465218844.db2.gz AEHLPFUWHOZIGF-LQKXBSAESA-N 1 2 336.457 2.212 10 30 EEEELO CC[C@H](C)n1ncc(NC(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)c1C ZINC000329075644 465225069 /nfs/dbraw/zinc/22/50/69/465225069.db2.gz BVWVVWSHEGUZIS-APHBMKBZSA-N 1 2 335.452 2.113 10 30 EEEELO CC[C@H](C)n1ncc(NC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)c1C ZINC000329075644 465225076 /nfs/dbraw/zinc/22/50/76/465225076.db2.gz BVWVVWSHEGUZIS-APHBMKBZSA-N 1 2 335.452 2.113 10 30 EEEELO C=CCNC(=O)C[NH+]1CCN(c2nc3cccc(C)c3s2)CC1 ZINC000359437256 465407567 /nfs/dbraw/zinc/40/75/67/465407567.db2.gz KGHHAHCIMPQMEW-UHFFFAOYSA-N 1 2 330.457 2.029 10 30 EEEELO N#Cc1ccc([C@@H](O)C[N@@H+]2CCC[C@@H]2C(=O)Nc2nccs2)cc1 ZINC000127599779 462567143 /nfs/dbraw/zinc/56/71/43/462567143.db2.gz BJIYXCXTBWPLCZ-CABCVRRESA-N 1 2 342.424 2.151 10 30 EEEELO N#Cc1ccc([C@@H](O)C[N@H+]2CCC[C@@H]2C(=O)Nc2nccs2)cc1 ZINC000127599779 462567149 /nfs/dbraw/zinc/56/71/49/462567149.db2.gz BJIYXCXTBWPLCZ-CABCVRRESA-N 1 2 342.424 2.151 10 30 EEEELO CCc1nn(C)c(Cl)c1CN1CC[NH+](Cc2ccc(C#N)o2)CC1 ZINC000121693213 463179099 /nfs/dbraw/zinc/17/90/99/463179099.db2.gz FYITVZGCOBYBMR-UHFFFAOYSA-N 1 2 347.850 2.418 10 30 EEEELO Cc1oc(NC(=O)C[N@@H+]2CCC[C@@H]2Cn2cccn2)c(C#N)c1C ZINC000069893752 463345935 /nfs/dbraw/zinc/34/59/35/463345935.db2.gz IGGVADLVQKIRFM-CQSZACIVSA-N 1 2 327.388 2.068 10 30 EEEELO Cc1oc(NC(=O)C[N@H+]2CCC[C@@H]2Cn2cccn2)c(C#N)c1C ZINC000069893752 463345939 /nfs/dbraw/zinc/34/59/39/463345939.db2.gz IGGVADLVQKIRFM-CQSZACIVSA-N 1 2 327.388 2.068 10 30 EEEELO N#Cc1ccsc1NC(=O)C[N@@H+]1CCCC[C@H]1Cn1cccn1 ZINC000069950066 463356201 /nfs/dbraw/zinc/35/62/01/463356201.db2.gz LDIYUEGOXLTVIQ-AWEZNQCLSA-N 1 2 329.429 2.309 10 30 EEEELO N#Cc1ccsc1NC(=O)C[N@H+]1CCCC[C@H]1Cn1cccn1 ZINC000069950066 463356206 /nfs/dbraw/zinc/35/62/06/463356206.db2.gz LDIYUEGOXLTVIQ-AWEZNQCLSA-N 1 2 329.429 2.309 10 30 EEEELO Cc1ccc(NC(=O)[C@@H](C)ON=C(N)[C@@H](C)n2cc[nH+]c2)c(C)c1 ZINC000072286194 463498537 /nfs/dbraw/zinc/49/85/37/463498537.db2.gz DORMVWGJMNGPJQ-ZIAGYGMSSA-N 1 2 329.404 2.377 10 30 EEEELO C=C(C)CN(CC)C(=O)C[NH2+][C@H](C)c1cn(-c2ccccc2)nn1 ZINC000185483261 463830899 /nfs/dbraw/zinc/83/08/99/463830899.db2.gz SDBWSTGTGVDUMX-OAHLLOKOSA-N 1 2 327.432 2.343 10 30 EEEELO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000579598114 468382732 /nfs/dbraw/zinc/38/27/32/468382732.db2.gz QZPLVQFGLVYTFI-HNNXBMFYSA-N 1 2 330.388 2.299 10 30 EEEELO CCN(CC)C(=O)[C@@H]1CCC[N@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000579598114 468382737 /nfs/dbraw/zinc/38/27/37/468382737.db2.gz QZPLVQFGLVYTFI-HNNXBMFYSA-N 1 2 330.388 2.299 10 30 EEEELO CC(C)[C@H]1[N@H+](CCS(=O)(=O)c2ccc(C#N)cn2)CC12CCC2 ZINC000291968847 464163617 /nfs/dbraw/zinc/16/36/17/464163617.db2.gz SOYRDAAIIQFSQB-MRXNPFEDSA-N 1 2 333.457 2.237 10 30 EEEELO CC(C)[C@H]1[N@@H+](CCS(=O)(=O)c2ccc(C#N)cn2)CC12CCC2 ZINC000291968847 464163624 /nfs/dbraw/zinc/16/36/24/464163624.db2.gz SOYRDAAIIQFSQB-MRXNPFEDSA-N 1 2 333.457 2.237 10 30 EEEELO C[C@H]([C@H](C)NC(=O)c1ccc(C2(C#N)CC2)cc1)[NH+]1CCOCC1 ZINC000180276442 464278061 /nfs/dbraw/zinc/27/80/61/464278061.db2.gz VYUPUUKJKAISOC-LSDHHAIUSA-N 1 2 327.428 2.081 10 30 EEEELO Cc1ccc(OC2CC[NH+](CC(=O)N[C@@](C)(C#N)C(C)C)CC2)nc1 ZINC000182838720 464740145 /nfs/dbraw/zinc/74/01/45/464740145.db2.gz CNNMKCCEMGMEEW-IBGZPJMESA-N 1 2 344.459 2.288 10 30 EEEELO CC(C)[C@](C)(C#N)NC(=O)CN1CCC[C@@H]1c1[nH]c2c([nH+]1)CCCC2 ZINC000276008705 464794680 /nfs/dbraw/zinc/79/46/80/464794680.db2.gz PZLNRHMFWIVGTE-APWZRJJASA-N 1 2 343.475 2.480 10 30 EEEELO CC(C)(C)c1cn2c(n1)CC[C@H](NC(=O)N1CCn3c[nH+]cc3C1)C2 ZINC000329676087 465403632 /nfs/dbraw/zinc/40/36/32/465403632.db2.gz UPPMAFSNNJVEDF-ZDUSSCGKSA-N 1 2 342.447 2.122 10 30 EEEELO C=CCSc1ccccc1NC(=O)C[N@H+]1CC[C@H](C(=O)OC)C1 ZINC000298801827 465509494 /nfs/dbraw/zinc/50/94/94/465509494.db2.gz OBCVXHCMRWACFL-ZDUSSCGKSA-N 1 2 334.441 2.398 10 30 EEEELO C=CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@H](C(=O)OC)C1 ZINC000298801827 465509500 /nfs/dbraw/zinc/50/95/00/465509500.db2.gz OBCVXHCMRWACFL-ZDUSSCGKSA-N 1 2 334.441 2.398 10 30 EEEELO CC(C)(C)[C@H](C#N)NS(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000352885769 465564832 /nfs/dbraw/zinc/56/48/32/465564832.db2.gz NOUOFSFPQBMJKG-HNNXBMFYSA-N 1 2 332.429 2.148 10 30 EEEELO Cn1c(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)nnc1C1CCC1 ZINC000366422506 465717496 /nfs/dbraw/zinc/71/74/96/465717496.db2.gz FCXPFBCMFHMQTI-HNNXBMFYSA-N 1 2 338.415 2.003 10 30 EEEELO Cn1c(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)nnc1C1CCC1 ZINC000366422506 465717501 /nfs/dbraw/zinc/71/75/01/465717501.db2.gz FCXPFBCMFHMQTI-HNNXBMFYSA-N 1 2 338.415 2.003 10 30 EEEELO Cn1cc[nH+]c1[C@H](NC(=O)c1ccnc(C#N)c1)c1ccccc1F ZINC000353828780 466180807 /nfs/dbraw/zinc/18/08/07/466180807.db2.gz RZUWCHWMWOHQDU-MRXNPFEDSA-N 1 2 335.342 2.345 10 30 EEEELO Cc1nn(C)c(C)c1[C@@H]1COCC[N@@H+]1CCOc1cccc(C#N)c1 ZINC000374470075 467054762 /nfs/dbraw/zinc/05/47/62/467054762.db2.gz IJIMMMWTWNJDEV-SFHVURJKSA-N 1 2 340.427 2.361 10 30 EEEELO Cc1nn(C)c(C)c1[C@@H]1COCC[N@H+]1CCOc1cccc(C#N)c1 ZINC000374470075 467054768 /nfs/dbraw/zinc/05/47/68/467054768.db2.gz IJIMMMWTWNJDEV-SFHVURJKSA-N 1 2 340.427 2.361 10 30 EEEELO C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000424929621 467083508 /nfs/dbraw/zinc/08/35/08/467083508.db2.gz CBYFHPDUBPHCJJ-BZSNNMDCSA-N 1 2 346.496 2.484 10 30 EEEELO CO[C@H]1C[C@H]([N@H+](C)CCS(=O)(=O)c2cccc(C#N)c2)C12CCC2 ZINC000451860317 467275020 /nfs/dbraw/zinc/27/50/20/467275020.db2.gz WUVGXTRQISAPJD-IRXDYDNUSA-N 1 2 348.468 2.221 10 30 EEEELO CO[C@H]1C[C@H]([N@@H+](C)CCS(=O)(=O)c2cccc(C#N)c2)C12CCC2 ZINC000451860317 467275026 /nfs/dbraw/zinc/27/50/26/467275026.db2.gz WUVGXTRQISAPJD-IRXDYDNUSA-N 1 2 348.468 2.221 10 30 EEEELO C=C(C)CS(=O)(=O)N1CC[NH+](Cc2ccc(CC)s2)CC1 ZINC000435435444 467469458 /nfs/dbraw/zinc/46/94/58/467469458.db2.gz BCVMLRVRQKRONL-UHFFFAOYSA-N 1 2 328.503 2.334 10 30 EEEELO COc1cc(C[NH+]2CCN(c3cccc(C#N)n3)CC2)ccc1C#N ZINC000442831832 467577937 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CC(C)(C)C#CC(=O)NC[C@@]1(C)CCC[N@@H+](Cc2ncccn2)C1 ZINC001484159096 1191247762 /nfs/dbraw/zinc/24/77/62/1191247762.db2.gz NTNHAGCWPLLTJB-LJQANCHMSA-N 1 2 328.460 2.244 10 30 EEEELO C=C(Br)C[N@H+]1CC[C@](O)(CNC(=O)C=C(CC)CC)C1 ZINC001484212595 1191274779 /nfs/dbraw/zinc/27/47/79/1191274779.db2.gz UGVIMWUZFJNQJN-HNNXBMFYSA-N 1 2 345.281 2.194 10 30 EEEELO C=C(Br)C[N@@H+]1CC[C@](O)(CNC(=O)C=C(CC)CC)C1 ZINC001484212595 1191274781 /nfs/dbraw/zinc/27/47/81/1191274781.db2.gz UGVIMWUZFJNQJN-HNNXBMFYSA-N 1 2 345.281 2.194 10 30 EEEELO C=C[C@H](CC)CC(=O)NC[C@@]1(O)CC[N@H+](Cc2ncc(C3CC3)o2)C1 ZINC001484235501 1191281891 /nfs/dbraw/zinc/28/18/91/1191281891.db2.gz JPACWFXERLBHKD-KUHUBIRLSA-N 1 2 347.459 2.207 10 30 EEEELO C=C[C@H](CC)CC(=O)NC[C@@]1(O)CC[N@@H+](Cc2ncc(C3CC3)o2)C1 ZINC001484235501 1191281892 /nfs/dbraw/zinc/28/18/92/1191281892.db2.gz JPACWFXERLBHKD-KUHUBIRLSA-N 1 2 347.459 2.207 10 30 EEEELO C#CCCCCC(=O)NC[C@@H]1COCC[N@H+]1C[C@@H]1CCC(F)(F)C1 ZINC001484589917 1191431969 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2.185 10 30 EEEELO C#CCOCCC(=O)NC[C@@H](C)[N@H+](C)Cc1cc(O)ccc1Cl ZINC001485300027 1191725834 /nfs/dbraw/zinc/72/58/34/1191725834.db2.gz OKIRSCVHBUDNFF-CYBMUJFWSA-N 1 2 338.835 2.022 10 30 EEEELO C#CCOCCC(=O)NC[C@@H](C)[N@@H+](C)Cc1cc(O)ccc1Cl ZINC001485300027 1191725835 /nfs/dbraw/zinc/72/58/35/1191725835.db2.gz OKIRSCVHBUDNFF-CYBMUJFWSA-N 1 2 338.835 2.022 10 30 EEEELO C[C@@H](CNC(=O)Cc1ccc[nH]1)[N@H+](C)Cc1cc(F)ccc1C#N ZINC001485388024 1191774889 /nfs/dbraw/zinc/77/48/89/1191774889.db2.gz NXLOQCGAOCXCSR-ZDUSSCGKSA-N 1 2 328.391 2.205 10 30 EEEELO C[C@@H](CNC(=O)Cc1ccc[nH]1)[N@@H+](C)Cc1cc(F)ccc1C#N ZINC001485388024 1191774891 /nfs/dbraw/zinc/77/48/91/1191774891.db2.gz NXLOQCGAOCXCSR-ZDUSSCGKSA-N 1 2 328.391 2.205 10 30 EEEELO CCc1noc(C[NH2+]C[C@H]2CCCCN2C(=O)C#CC(C)(C)C)n1 ZINC001272960607 1194269112 /nfs/dbraw/zinc/26/91/12/1194269112.db2.gz CQJXIIDRMPEEQS-CQSZACIVSA-N 1 2 332.448 2.152 10 30 EEEELO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)C1(CC)CCCC1 ZINC001691669971 1194344334 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343.471 2.398 10 30 EEEELO C=CC(C)(C)CCCNC(=O)C(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC000875766665 1199377538 /nfs/dbraw/zinc/37/75/38/1199377538.db2.gz ZIKPOKKPSZUUTR-QGZVFWFLSA-N 1 2 343.471 2.398 10 30 EEEELO C#C[C@H]([NH2+]Cc1snc(OC)c1Br)[C@H]1CCCO1 ZINC000877416987 1199926120 /nfs/dbraw/zinc/92/61/20/1199926120.db2.gz MDLRXFRINFJIDZ-DTWKUNHWSA-N 1 2 331.235 2.185 10 30 EEEELO C=C(Cl)C[C@H]([NH2+]C1CCC(CNC(C)=O)CC1)C(=O)OCC ZINC000877669814 1200018888 /nfs/dbraw/zinc/01/88/88/1200018888.db2.gz AKJQRDUSWSZDKD-NRXISQOPSA-N 1 2 330.856 2.345 10 30 EEEELO C#CC[N@@H+](Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)C1CSC1 ZINC000878912441 1200744932 /nfs/dbraw/zinc/74/49/32/1200744932.db2.gz YVHDLCPBTLRNRZ-HNNXBMFYSA-N 1 2 348.431 2.274 10 30 EEEELO C#CC[N@H+](Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)C1CSC1 ZINC000878912441 1200744937 /nfs/dbraw/zinc/74/49/37/1200744937.db2.gz YVHDLCPBTLRNRZ-HNNXBMFYSA-N 1 2 348.431 2.274 10 30 EEEELO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(CCC)[C@@H]1CCc2ccccc21 ZINC000884085960 1202228226 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ZINC001340573763 1337208881 /nfs/dbraw/zinc/20/88/81/1337208881.db2.gz ZDNSWBZUKIYFDL-KSSFIOAISA-N 1 2 333.480 2.001 10 30 EEEELO C=CCn1c([C@H]2C[C@@H](O)C[N@@H+]2C)nnc1N1CC[C@@H](C)C[C@@H](C)C1 ZINC001342062698 1337308717 /nfs/dbraw/zinc/30/87/17/1337308717.db2.gz YUCIUFGOGWEJFT-KLHDSHLOSA-N 1 2 333.480 2.074 10 30 EEEELO C=CCn1c([C@H]2C[C@@H](O)C[N@H+]2C)nnc1N1CC[C@@H](C)C[C@@H](C)C1 ZINC001342062698 1337308721 /nfs/dbraw/zinc/30/87/21/1337308721.db2.gz YUCIUFGOGWEJFT-KLHDSHLOSA-N 1 2 333.480 2.074 10 30 EEEELO C=C[C@@H](CC)CC(=O)N(C)C[C@@H]1CCN1C(=O)CCc1[nH+]ccn1C ZINC001344179404 1337377002 /nfs/dbraw/zinc/37/70/02/1337377002.db2.gz YISIMPQPBRKGDT-HOTGVXAUSA-N 1 2 346.475 2.014 10 30 EEEELO C=CCCC(=O)N1CCC[C@H](C)[C@@H]1CCNC(=O)CCc1[nH]cc[nH+]1 ZINC001344346708 1337391380 /nfs/dbraw/zinc/39/13/80/1337391380.db2.gz QPIBHBANMSIYPH-HOTGVXAUSA-N 1 2 346.475 2.442 10 30 EEEELO FC(F)Oc1cc2c(cc1C=NNCCCn1cc[nH+]c1)OCO2 ZINC000848417921 1338699986 /nfs/dbraw/zinc/69/99/86/1338699986.db2.gz 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C=CC(C)(C)CC(=O)N1CC[C@@H](C[N@H+](C)Cc2nc(N(C)C)no2)C1 ZINC001664811878 1355232543 /nfs/dbraw/zinc/23/25/43/1355232543.db2.gz JNHMUWMNWDRRGT-AWEZNQCLSA-N 1 2 349.479 2.018 10 30 EEEELO N#Cc1ccc(CC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)cn1 ZINC001434870796 1341975771 /nfs/dbraw/zinc/97/57/71/1341975771.db2.gz ZIOUUNBRDFIOET-UHFFFAOYSA-N 1 2 331.379 2.057 10 30 EEEELO C=CCCC(=O)NC[C@]1(O)CC[N@H+](Cc2csc(C3CC3)n2)C1 ZINC001671982294 1356449159 /nfs/dbraw/zinc/44/91/59/1356449159.db2.gz NKQQDYRXXLULLV-QGZVFWFLSA-N 1 2 335.473 2.040 10 30 EEEELO C=CCCC(=O)NC[C@]1(O)CC[N@@H+](Cc2csc(C3CC3)n2)C1 ZINC001671982294 1356449161 /nfs/dbraw/zinc/44/91/61/1356449161.db2.gz NKQQDYRXXLULLV-QGZVFWFLSA-N 1 2 335.473 2.040 10 30 EEEELO CC(C)c1nnc(C[NH2+][C@H]2CN(C(=O)C#CC(C)(C)C)C[C@H]2C)o1 ZINC001502716669 1342226212 /nfs/dbraw/zinc/22/62/12/1342226212.db2.gz XBIVNDBUUTVORT-KGLIPLIRSA-N 1 2 332.448 2.179 10 30 EEEELO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H](CCC)c2ccccc2)C1 ZINC001566679658 1342599590 /nfs/dbraw/zinc/59/95/90/1342599590.db2.gz BDWDROTWLJWJQD-ROUUACIJSA-N 1 2 343.471 2.063 10 30 EEEELO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H](CCC)c2ccccc2)C1 ZINC001566679658 1342599595 /nfs/dbraw/zinc/59/95/95/1342599595.db2.gz BDWDROTWLJWJQD-ROUUACIJSA-N 1 2 343.471 2.063 10 30 EEEELO C=CCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)NC1CCCCC1 ZINC001567674142 1342810746 /nfs/dbraw/zinc/81/07/46/1342810746.db2.gz VYTMDBGIVJJVDZ-HDICACEKSA-N 1 2 347.503 2.467 10 30 EEEELO C=CCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)NC1CCCCC1 ZINC001567674142 1342810749 /nfs/dbraw/zinc/81/07/49/1342810749.db2.gz VYTMDBGIVJJVDZ-HDICACEKSA-N 1 2 347.503 2.467 10 30 EEEELO C#CCN(C(=O)[C@H](C)C(C)C)C1CC[NH+](Cc2cnns2)CC1 ZINC001569593667 1342904641 /nfs/dbraw/zinc/90/46/41/1342904641.db2.gz IAYLWTLHSOZFJD-CQSZACIVSA-N 1 2 334.489 2.256 10 30 EEEELO C=C(C)C[NH+]1CC(O)(CNC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC001569778052 1342943059 /nfs/dbraw/zinc/94/30/59/1342943059.db2.gz RJZCRBZFUOPOGH-QWHCGFSZSA-N 1 2 334.382 2.094 10 30 EEEELO CCCCCCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1c(C)cnn1C ZINC001570070543 1343008444 /nfs/dbraw/zinc/00/84/44/1343008444.db2.gz WQRWHDZKLFDZCG-INIZCTEOSA-N 1 2 336.480 2.130 10 30 EEEELO CCCCCCC[N@H+]1CCOC[C@@H]1CNC(=O)c1c(C)cnn1C ZINC001570070543 1343008450 /nfs/dbraw/zinc/00/84/50/1343008450.db2.gz WQRWHDZKLFDZCG-INIZCTEOSA-N 1 2 336.480 2.130 10 30 EEEELO COCC#CC[N@@H+]1Cc2ccc(CNC(=O)[C@@H](C)CSC)cc2C1 ZINC001570310737 1343055545 /nfs/dbraw/zinc/05/55/45/1343055545.db2.gz HHGWHOXTUOJVFO-HNNXBMFYSA-N 1 2 346.496 2.267 10 30 EEEELO COCC#CC[N@H+]1Cc2ccc(CNC(=O)[C@@H](C)CSC)cc2C1 ZINC001570310737 1343055550 /nfs/dbraw/zinc/05/55/50/1343055550.db2.gz HHGWHOXTUOJVFO-HNNXBMFYSA-N 1 2 346.496 2.267 10 30 EEEELO C=CC(C)(C)C(=O)N[C@H]1CC[N@@H+](Cc2cn(CC)nn2)CC1(C)C ZINC001570395126 1343063829 /nfs/dbraw/zinc/06/38/29/1343063829.db2.gz CYQCAMIVSCWIPS-HNNXBMFYSA-N 1 2 333.480 2.227 10 30 EEEELO C=CC(C)(C)C(=O)N[C@H]1CC[N@H+](Cc2cn(CC)nn2)CC1(C)C ZINC001570395126 1343063832 /nfs/dbraw/zinc/06/38/32/1343063832.db2.gz CYQCAMIVSCWIPS-HNNXBMFYSA-N 1 2 333.480 2.227 10 30 EEEELO Cc1cc(C[N@@H+]2CCCCC[C@H]2CNC(=O)CSCC#N)no1 ZINC001570817498 1343117583 /nfs/dbraw/zinc/11/75/83/1343117583.db2.gz ABSIISWAMRWCQT-HNNXBMFYSA-N 1 2 336.461 2.101 10 30 EEEELO Cc1cc(C[N@H+]2CCCCC[C@H]2CNC(=O)CSCC#N)no1 ZINC001570817498 1343117588 /nfs/dbraw/zinc/11/75/88/1343117588.db2.gz ABSIISWAMRWCQT-HNNXBMFYSA-N 1 2 336.461 2.101 10 30 EEEELO C=CCCC[N@@H+]1CCO[C@@]2(CCN(C(=O)C(F)C(F)(F)F)C2)C1 ZINC001570884551 1343126597 /nfs/dbraw/zinc/12/65/97/1343126597.db2.gz MTUYGVHJMYKKKQ-JSGCOSHPSA-N 1 2 338.345 2.156 10 30 EEEELO C=CCCC[N@H+]1CCO[C@@]2(CCN(C(=O)C(F)C(F)(F)F)C2)C1 ZINC001570884551 1343126601 /nfs/dbraw/zinc/12/66/01/1343126601.db2.gz MTUYGVHJMYKKKQ-JSGCOSHPSA-N 1 2 338.345 2.156 10 30 EEEELO C=CCCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H](F)C(F)(F)F)C2)C1 ZINC001570884551 1343126604 /nfs/dbraw/zinc/12/66/04/1343126604.db2.gz MTUYGVHJMYKKKQ-JSGCOSHPSA-N 1 2 338.345 2.156 10 30 EEEELO C=CCCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](F)C(F)(F)F)C2)C1 ZINC001570884551 1343126609 /nfs/dbraw/zinc/12/66/09/1343126609.db2.gz MTUYGVHJMYKKKQ-JSGCOSHPSA-N 1 2 338.345 2.156 10 30 EEEELO C=C[C@H](CC)CC(=O)N[C@@]12CCC[C@@H]1[N@H+](Cc1cn(C)nn1)CC2 ZINC001571503211 1343221151 /nfs/dbraw/zinc/22/11/51/1343221151.db2.gz OMSZLVJQCATTML-UWWQBHOKSA-N 1 2 331.464 2.031 10 30 EEEELO C=C[C@H](CC)CC(=O)N[C@@]12CCC[C@@H]1[N@@H+](Cc1cn(C)nn1)CC2 ZINC001571503211 1343221152 /nfs/dbraw/zinc/22/11/52/1343221152.db2.gz OMSZLVJQCATTML-UWWQBHOKSA-N 1 2 331.464 2.031 10 30 EEEELO CCn1nncc1C[N@H+](C)CCN(C(=O)C#CC(C)(C)C)C(C)C ZINC001571611792 1343251561 /nfs/dbraw/zinc/25/15/61/1343251561.db2.gz MMNGQBHMJUXXFR-UHFFFAOYSA-N 1 2 333.480 2.016 10 30 EEEELO CCn1nncc1C[N@@H+](C)CCN(C(=O)C#CC(C)(C)C)C(C)C ZINC001571611792 1343251566 /nfs/dbraw/zinc/25/15/66/1343251566.db2.gz MMNGQBHMJUXXFR-UHFFFAOYSA-N 1 2 333.480 2.016 10 30 EEEELO C#CCCCCC(=O)N[C@H](C)C1CC[NH+](Cc2ncnn2CC)CC1 ZINC001571643813 1343259073 /nfs/dbraw/zinc/25/90/73/1343259073.db2.gz SDESIBJSARRNKT-MRXNPFEDSA-N 1 2 345.491 2.208 10 30 EEEELO O=C(CC#Cc1ccccc1)NCC1=CC[N@H+](Cc2ccon2)CC1 ZINC001571700750 1343281493 /nfs/dbraw/zinc/28/14/93/1343281493.db2.gz MYQSPKGAGPPRTR-UHFFFAOYSA-N 1 2 335.407 2.365 10 30 EEEELO O=C(CC#Cc1ccccc1)NCC1=CC[N@@H+](Cc2ccon2)CC1 ZINC001571700750 1343281498 /nfs/dbraw/zinc/28/14/98/1343281498.db2.gz MYQSPKGAGPPRTR-UHFFFAOYSA-N 1 2 335.407 2.365 10 30 EEEELO C=CCC1(C(=O)NCCCN(C)C(=O)Cc2c[nH+]c[nH]2)CCCC1 ZINC001577180859 1344099557 /nfs/dbraw/zinc/09/95/57/1344099557.db2.gz SYIRWBVTGSQOCY-UHFFFAOYSA-N 1 2 332.448 2.053 10 30 EEEELO C=CC(C)(C)CC(=O)N[C@H](C)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001579060883 1344335682 /nfs/dbraw/zinc/33/56/82/1344335682.db2.gz LZIFJDSSRPICNO-CVEARBPZSA-N 1 2 346.475 2.229 10 30 EEEELO C=C1CCC(C(=O)N(C)[C@@H](C)CNC(=O)CCc2c[nH+]cn2C)CC1 ZINC001678290635 1357495801 /nfs/dbraw/zinc/49/58/01/1357495801.db2.gz MBXIRVYNFLWCQB-HNNXBMFYSA-N 1 2 346.475 2.062 10 30 EEEELO C#C[C@@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC001648510822 1353432458 /nfs/dbraw/zinc/43/24/58/1353432458.db2.gz VYUXJJLOTHXBCM-SJLPKXTDSA-N 1 2 343.446 2.351 10 30 EEEELO C=C[C@@H](C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1cnn(C)c1)c1ccccc1 ZINC001656109905 1354203182 /nfs/dbraw/zinc/20/31/82/1354203182.db2.gz UGERHFOTFJHIRZ-RTBURBONSA-N 1 2 338.455 2.423 10 30 EEEELO C=C[C@@H](C(=O)N(C)C[C@H]1CC[N@H+]1Cc1cnn(C)c1)c1ccccc1 ZINC001656109905 1354203184 /nfs/dbraw/zinc/20/31/84/1354203184.db2.gz UGERHFOTFJHIRZ-RTBURBONSA-N 1 2 338.455 2.423 10 30 EEEELO C#CCC1(C(=O)N(C)C[C@@H]2CC[N@H+]2CC(=O)NC(C)C)CCCCC1 ZINC001656112609 1354203754 /nfs/dbraw/zinc/20/37/54/1354203754.db2.gz FZWKYGMAMZOQQJ-KRWDZBQOSA-N 1 2 347.503 2.018 10 30 EEEELO C#CCC1(C(=O)N(C)C[C@@H]2CC[N@@H+]2CC(=O)NC(C)C)CCCCC1 ZINC001656112609 1354203757 /nfs/dbraw/zinc/20/37/57/1354203757.db2.gz FZWKYGMAMZOQQJ-KRWDZBQOSA-N 1 2 347.503 2.018 10 30 EEEELO C=CCCO[C@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ncc(C)o2)[C@@H]1CC ZINC001656692988 1354265627 /nfs/dbraw/zinc/26/56/27/1354265627.db2.gz RPEZQANRUHFFQN-OWCLPIDISA-N 1 2 335.448 2.433 10 30 EEEELO C=CCCO[C@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ncc(C)o2)[C@@H]1CC ZINC001656692988 1354265629 /nfs/dbraw/zinc/26/56/29/1354265629.db2.gz RPEZQANRUHFFQN-OWCLPIDISA-N 1 2 335.448 2.433 10 30 EEEELO COCCCC(=O)N[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001660805958 1354541974 /nfs/dbraw/zinc/54/19/74/1354541974.db2.gz OZYHPRLYJSHNRG-INIZCTEOSA-N 1 2 333.407 2.205 10 30 EEEELO COCCCC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001660805958 1354541977 /nfs/dbraw/zinc/54/19/77/1354541977.db2.gz OZYHPRLYJSHNRG-INIZCTEOSA-N 1 2 333.407 2.205 10 30 EEEELO CCCc1noc(C[N@@H+]2CCC[C@@H]([C@H](C)NC(=O)C#CC(C)C)C2)n1 ZINC001661988562 1354735713 /nfs/dbraw/zinc/73/57/13/1354735713.db2.gz ACNLMKYONGJGRQ-JKSUJKDBSA-N 1 2 346.475 2.398 10 30 EEEELO CCCc1noc(C[N@H+]2CCC[C@@H]([C@H](C)NC(=O)C#CC(C)C)C2)n1 ZINC001661988562 1354735716 /nfs/dbraw/zinc/73/57/16/1354735716.db2.gz ACNLMKYONGJGRQ-JKSUJKDBSA-N 1 2 346.475 2.398 10 30 EEEELO C#CCCCC(=O)N[C@H](C)[C@H]1CCC[N@@H+](Cc2nnc(C(C)C)[nH]2)C1 ZINC001661989948 1354737845 /nfs/dbraw/zinc/73/78/45/1354737845.db2.gz QXUSAAVAFKMVJX-CVEARBPZSA-N 1 2 345.491 2.448 10 30 EEEELO C#CCCCC(=O)N[C@H](C)[C@H]1CCC[N@H+](Cc2nnc(C(C)C)[nH]2)C1 ZINC001661989948 1354737847 /nfs/dbraw/zinc/73/78/47/1354737847.db2.gz QXUSAAVAFKMVJX-CVEARBPZSA-N 1 2 345.491 2.448 10 30 EEEELO C=CCCC(=O)NC[C@@H]1CCC[N@H+]1[C@@H](CC)C(=O)Nc1cc(C)on1 ZINC001663475725 1354967275 /nfs/dbraw/zinc/96/72/75/1354967275.db2.gz HBDVAPWBJXCKAT-GJZGRUSLSA-N 1 2 348.447 2.247 10 30 EEEELO C=CCCC(=O)NC[C@@H]1CCC[N@@H+]1[C@@H](CC)C(=O)Nc1cc(C)on1 ZINC001663475725 1354967279 /nfs/dbraw/zinc/96/72/79/1354967279.db2.gz HBDVAPWBJXCKAT-GJZGRUSLSA-N 1 2 348.447 2.247 10 30 EEEELO C=C(Br)C[N@H+]1CC[C@@H](CCNC(=O)C(=O)C(C)(C)C)C1 ZINC001664701550 1355216320 /nfs/dbraw/zinc/21/63/20/1355216320.db2.gz XRWXTTFFPHJASU-GFCCVEGCSA-N 1 2 345.281 2.338 10 30 EEEELO C=C(Br)C[N@@H+]1CC[C@@H](CCNC(=O)C(=O)C(C)(C)C)C1 ZINC001664701550 1355216325 /nfs/dbraw/zinc/21/63/25/1355216325.db2.gz XRWXTTFFPHJASU-GFCCVEGCSA-N 1 2 345.281 2.338 10 30 EEEELO C=CC(C)(C)CC(=O)N[C@H]1CC[N@@H+]([C@@H](C)C(=O)NCc2ccco2)C1 ZINC001665465647 1355314508 /nfs/dbraw/zinc/31/45/08/1355314508.db2.gz PTDBESTXEIUUGN-GJZGRUSLSA-N 1 2 347.459 2.077 10 30 EEEELO C=CC(C)(C)CC(=O)N[C@H]1CC[N@H+]([C@@H](C)C(=O)NCc2ccco2)C1 ZINC001665465647 1355314511 /nfs/dbraw/zinc/31/45/11/1355314511.db2.gz PTDBESTXEIUUGN-GJZGRUSLSA-N 1 2 347.459 2.077 10 30 EEEELO CC(C)c1nc(C[NH2+]CC[C@@H]2CCCN(C(=O)[C@H](C)C#N)C2)no1 ZINC001666087590 1355446161 /nfs/dbraw/zinc/44/61/61/1355446161.db2.gz IPGKXSIYZZCOND-KGLIPLIRSA-N 1 2 333.436 2.071 10 30 EEEELO C#CCCCC(=O)N1CCC[C@H](CC[NH2+]Cc2noc(CC)n2)C1 ZINC001666103266 1355452310 /nfs/dbraw/zinc/45/23/10/1355452310.db2.gz HOLRYDZYGNMKQS-OAHLLOKOSA-N 1 2 332.448 2.154 10 30 EEEELO C#CCCCCC(=O)N1CCC[C@@H]1C[NH2+]Cc1nc(C2CC2)no1 ZINC001666411576 1355524810 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C=C[C@@H](CC)CC(=O)N[C@H]1CCC[N@H+](Cc2cnn(CC)n2)CC1 ZINC001673392347 1356684885 /nfs/dbraw/zinc/68/48/85/1356684885.db2.gz YFTUCAJQUGSGCM-HOTGVXAUSA-N 1 2 333.480 2.371 10 30 EEEELO C=C[C@@H](CC)CC(=O)N[C@H]1CCC[N@@H+](Cc2cnn(CC)n2)CC1 ZINC001673392347 1356684887 /nfs/dbraw/zinc/68/48/87/1356684887.db2.gz YFTUCAJQUGSGCM-HOTGVXAUSA-N 1 2 333.480 2.371 10 30 EEEELO CC(C)C[C@@H](C(=O)N[C@@H]1CCN(CC#N)CC1(C)C)n1cc[nH+]c1 ZINC001674022371 1356776059 /nfs/dbraw/zinc/77/60/59/1356776059.db2.gz BTSMYUWYJDDEGN-JKSUJKDBSA-N 1 2 331.464 2.211 10 30 EEEELO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](C)[N@H+](C)Cc1cc(F)ccc1C#N ZINC001674996933 1356922226 /nfs/dbraw/zinc/92/22/26/1356922226.db2.gz NDUHOEGFZIMCMB-VHSSKADRSA-N 1 2 345.418 2.225 10 30 EEEELO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](C)[N@@H+](C)Cc1cc(F)ccc1C#N ZINC001674996933 1356922230 /nfs/dbraw/zinc/92/22/30/1356922230.db2.gz NDUHOEGFZIMCMB-VHSSKADRSA-N 1 2 345.418 2.225 10 30 EEEELO C#CCC[NH+]1CC(CCO)(NC(=O)[C@@H](CCC)c2ccccc2)C1 ZINC001675110957 1356934930 /nfs/dbraw/zinc/93/49/30/1356934930.db2.gz XIUGHLPBIMLTJI-SFHVURJKSA-N 1 2 328.456 2.147 10 30 EEEELO C=C[C@@H](CC)CC(=O)N[C@@H](C)C1C[NH+](CC(=O)NCC(C)(C)C)C1 ZINC001675332382 1356966737 /nfs/dbraw/zinc/96/67/37/1356966737.db2.gz OTKYOXLDSWWDKR-GJZGRUSLSA-N 1 2 337.508 2.188 10 30 EEEELO CC(C)(C)C#CC(=O)N1C[C@]2(C)C[N@H+](Cc3ccon3)C[C@]2(C)C1 ZINC001675687642 1357035815 /nfs/dbraw/zinc/03/58/15/1357035815.db2.gz DJUXTSDYSLEGBC-KDURUIRLSA-N 1 2 329.444 2.395 10 30 EEEELO CC(C)(C)C#CC(=O)N1C[C@]2(C)C[N@@H+](Cc3ccon3)C[C@]2(C)C1 ZINC001675687642 1357035820 /nfs/dbraw/zinc/03/58/20/1357035820.db2.gz DJUXTSDYSLEGBC-KDURUIRLSA-N 1 2 329.444 2.395 10 30 EEEELO C=CCCC1(C(=O)NC[C@@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)CC1 ZINC001680724515 1357908598 /nfs/dbraw/zinc/90/85/98/1357908598.db2.gz BDTMLBFHLVZWGO-HZPDHXFCSA-N 1 2 344.459 2.031 10 30 EEEELO C=C(C)CCC(=O)NCC[C@H]1[C@H](C)CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001684619154 1358273283 /nfs/dbraw/zinc/27/32/83/1358273283.db2.gz 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779711456 /nfs/dbraw/zinc/71/14/56/779711456.db2.gz IOPZUHDRHRNRES-HUUCEWRRSA-N 1 2 345.491 2.449 10 30 EEEELO C=C1CC(C)(C(=O)N[C@@H]2CC[N@H+]([C@H](C)c3nncn3C)CC2(C)C)C1 ZINC000941016697 779711459 /nfs/dbraw/zinc/71/14/59/779711459.db2.gz IOPZUHDRHRNRES-HUUCEWRRSA-N 1 2 345.491 2.449 10 30 EEEELO C#CC[NH+]1CC(N2CCN(C(=O)c3ccc(CCCC)cc3)CC2)C1 ZINC000941480954 780577919 /nfs/dbraw/zinc/57/79/19/780577919.db2.gz UHHYLDXJWZICCO-UHFFFAOYSA-N 1 2 339.483 2.104 10 30 EEEELO C=C[C@@H]1OCCC[C@H]1NC(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000909048505 785966184 /nfs/dbraw/zinc/96/61/84/785966184.db2.gz NLUBFBQDMBJGAO-MSOLQXFVSA-N 1 2 340.427 2.459 10 30 EEEELO C=C(C)C[C@H](CO)NC(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000922747133 801792044 /nfs/dbraw/zinc/79/20/44/801792044.db2.gz CWOPHAGJCDERLE-CQSZACIVSA-N 1 2 333.457 2.319 10 30 EEEELO C=C[C@@H](C(=O)NCCC[N@@H+](C)[C@@H](C)c1nncn1C)c1ccccc1 ZINC001566518737 1125691156 /nfs/dbraw/zinc/69/11/56/1125691156.db2.gz JPQXYAJJTMBWPV-DOTOQJQBSA-N 1 2 341.459 2.284 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1091308248 /nfs/dbraw/zinc/30/82/48/1091308248.db2.gz XSVXCCYJFIMPMA-ZANVPECISA-N 1 2 347.312 2.062 10 30 EEEELO Cc1cc(C)c(NC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H](C)C#N)c(C)c1 ZINC001439316898 1091989367 /nfs/dbraw/zinc/98/93/67/1091989367.db2.gz XSCGYESPPTZPAR-JKSUJKDBSA-N 1 2 344.459 2.147 10 30 EEEELO Cc1cc(C)c(NC(=O)C[N@H+](C)C[C@@H](C)NC(=O)[C@@H](C)C#N)c(C)c1 ZINC001439316898 1091989371 /nfs/dbraw/zinc/98/93/71/1091989371.db2.gz XSCGYESPPTZPAR-JKSUJKDBSA-N 1 2 344.459 2.147 10 30 EEEELO COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)[C@@H](C)SC)cc1C#N ZINC001439510731 1092350801 /nfs/dbraw/zinc/35/08/01/1092350801.db2.gz JSSADCKUSIJMPC-IUODEOHRSA-N 1 2 333.457 2.009 10 30 EEEELO COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)[C@@H](C)SC)cc1C#N ZINC001439510731 1092350810 /nfs/dbraw/zinc/35/08/10/1092350810.db2.gz JSSADCKUSIJMPC-IUODEOHRSA-N 1 2 333.457 2.009 10 30 EEEELO C[C@H](C#N)C(=O)N(C)C1C[NH+](C[C@H]2[C@H](c3ccccc3)C2(F)F)C1 ZINC001446362989 1092583062 /nfs/dbraw/zinc/58/30/62/1092583062.db2.gz 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/nfs/dbraw/zinc/90/23/70/1329902370.db2.gz DIDMSFYKYMGZQO-HNNXBMFYSA-N 1 2 344.459 2.293 10 30 EEEELO C=C(C)C[C@@H](C)C(=O)N1CC[NH+](CCN(C)C(=O)/C(C)=C\C)CC1 ZINC001296824751 1329922253 /nfs/dbraw/zinc/92/22/53/1329922253.db2.gz LSPKDPILOMLDNB-BOVGMKJQSA-N 1 2 335.492 2.158 10 30 EEEELO C=CC(C)(C)CC(=O)NCC1CN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001297212801 1329951421 /nfs/dbraw/zinc/95/14/21/1329951421.db2.gz LAGKHOUVJIUREW-UHFFFAOYSA-N 1 2 340.427 2.125 10 30 EEEELO C=C1CCC(C(=O)N[C@@H](CC)CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001297416545 1329970260 /nfs/dbraw/zinc/97/02/60/1329970260.db2.gz HBALBZDCRJPJGT-ZBFHGGJFSA-N 1 2 346.475 2.346 10 30 EEEELO C=C1CCC(C(=O)N[C@@H](CC)CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001297416545 1329970261 /nfs/dbraw/zinc/97/02/61/1329970261.db2.gz HBALBZDCRJPJGT-ZBFHGGJFSA-N 1 2 346.475 2.346 10 30 EEEELO C=C(C)CCC(=O)N1CCC[C@H]([N@H+](C)CC(=O)Nc2cc(C)on2)C1 ZINC001491928738 1330318853 /nfs/dbraw/zinc/31/88/53/1330318853.db2.gz IFNMVDKVNRHSRW-HNNXBMFYSA-N 1 2 348.447 2.201 10 30 EEEELO C=C(C)CCC(=O)N1CCC[C@H]([N@@H+](C)CC(=O)Nc2cc(C)on2)C1 ZINC001491928738 1330318858 /nfs/dbraw/zinc/31/88/58/1330318858.db2.gz IFNMVDKVNRHSRW-HNNXBMFYSA-N 1 2 348.447 2.201 10 30 EEEELO C=C[C@H](CC)CC(=O)N1CCC(NC(=O)CCCn2cc[nH+]c2)CC1 ZINC001492120233 1330489288 /nfs/dbraw/zinc/48/92/88/1330489288.db2.gz QVPOCZHGOSZTGG-MRXNPFEDSA-N 1 2 346.475 2.373 10 30 EEEELO COc1ccc2nc(C[N@H+](C)CCNC(=O)C#CC3CC3)sc2c1 ZINC001492248587 1331111797 /nfs/dbraw/zinc/11/17/97/1331111797.db2.gz XFTIGKUROSXXRD-UHFFFAOYSA-N 1 2 343.452 2.266 10 30 EEEELO COc1ccc2nc(C[N@@H+](C)CCNC(=O)C#CC3CC3)sc2c1 ZINC001492248587 1331111798 /nfs/dbraw/zinc/11/17/98/1331111798.db2.gz XFTIGKUROSXXRD-UHFFFAOYSA-N 1 2 343.452 2.266 10 30 EEEELO CC#CC[NH2+]Cc1nc2c(s1)CCN(C(=O)c1cnccc1C)C2 ZINC001316809735 1331905688 /nfs/dbraw/zinc/90/56/88/1331905688.db2.gz PBCKVFZOTLCYBZ-UHFFFAOYSA-N 1 2 340.452 2.158 10 30 EEEELO C#Cc1cccc(NC(=O)C[NH+]2CCC(N(C)C(=O)CCC)CC2)c1 ZINC001316928234 1331995480 /nfs/dbraw/zinc/99/54/80/1331995480.db2.gz FCGVOXJPFHJMJQ-UHFFFAOYSA-N 1 2 341.455 2.329 10 30 EEEELO C=C[C@@](C)(CC)C(=O)N[C@H]1CCC[N@@H+](Cc2c(C)nnn2CC)C1 ZINC001316946822 1332008943 /nfs/dbraw/zinc/00/89/43/1332008943.db2.gz DJXHELNEWHTKCE-YJBOKZPZSA-N 1 2 333.480 2.289 10 30 EEEELO C=C[C@@](C)(CC)C(=O)N[C@H]1CCC[N@H+](Cc2c(C)nnn2CC)C1 ZINC001316946822 1332008946 /nfs/dbraw/zinc/00/89/46/1332008946.db2.gz DJXHELNEWHTKCE-YJBOKZPZSA-N 1 2 333.480 2.289 10 30 EEEELO COCC#CC[N@@H+]1CCC[C@H](NC(=O)c2c(F)cccc2Cl)C1 ZINC001316954098 1332014281 /nfs/dbraw/zinc/01/42/81/1332014281.db2.gz LIVTWHNDUVPVBW-ZDUSSCGKSA-N 1 2 338.810 2.323 10 30 EEEELO COCC#CC[N@H+]1CCC[C@H](NC(=O)c2c(F)cccc2Cl)C1 ZINC001316954098 1332014282 /nfs/dbraw/zinc/01/42/82/1332014282.db2.gz LIVTWHNDUVPVBW-ZDUSSCGKSA-N 1 2 338.810 2.323 10 30 EEEELO C#CCCCCC(=O)N[C@@H]1CC12CC[NH+](Cc1nnc(CC)o1)CC2 ZINC001316995924 1332036376 /nfs/dbraw/zinc/03/63/76/1332036376.db2.gz HNKXDHBWKQGPDV-OAHLLOKOSA-N 1 2 344.459 2.296 10 30 EEEELO C=C[C@@H](CC)CC(=O)N1CC[C@H]([NH2+]Cc2nc(C(F)F)no2)C1 ZINC001317063184 1332066074 /nfs/dbraw/zinc/06/60/74/1332066074.db2.gz UWODCFVWKACBBB-QWRGUYRKSA-N 1 2 328.363 2.300 10 30 EEEELO CC(C)C#CC(=O)N[C@H](C)[C@H]1CCC[N@H+](Cc2ncnn2C(C)C)C1 ZINC001317203431 1332130604 /nfs/dbraw/zinc/13/06/04/1332130604.db2.gz LMKJQPMMEAKISI-SJORKVTESA-N 1 2 345.491 2.235 10 30 EEEELO CC(C)C#CC(=O)N[C@H](C)[C@H]1CCC[N@@H+](Cc2ncnn2C(C)C)C1 ZINC001317203431 1332130605 /nfs/dbraw/zinc/13/06/05/1332130605.db2.gz LMKJQPMMEAKISI-SJORKVTESA-N 1 2 345.491 2.235 10 30 EEEELO C=CCC(C)(C)C(=O)N(C)CC[NH+]1CCN(Cc2coc(C)n2)CC1 ZINC001317822803 1332420758 /nfs/dbraw/zinc/42/07/58/1332420758.db2.gz JDSOUPGHZAZQCM-UHFFFAOYSA-N 1 2 348.491 2.161 10 30 EEEELO C=CCCCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H](C)C(=O)NC(CC)CC ZINC001318217253 1332490523 /nfs/dbraw/zinc/49/05/23/1332490523.db2.gz YNQGAGMGHBXNOC-XIRDDKMYSA-N 1 2 335.492 2.321 10 30 EEEELO C=CCCCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H](C)C(=O)NC(CC)CC ZINC001318217253 1332490525 /nfs/dbraw/zinc/49/05/25/1332490525.db2.gz YNQGAGMGHBXNOC-XIRDDKMYSA-N 1 2 335.492 2.321 10 30 EEEELO C=CCCOCC(=O)N(C)[C@H]1CC[N@H+](Cc2noc3c2CCCC3)C1 ZINC001318444493 1332536496 /nfs/dbraw/zinc/53/64/96/1332536496.db2.gz CMSTYYKNJNVEKA-HNNXBMFYSA-N 1 2 347.459 2.179 10 30 EEEELO C=CCCOCC(=O)N(C)[C@H]1CC[N@@H+](Cc2noc3c2CCCC3)C1 ZINC001318444493 1332536499 /nfs/dbraw/zinc/53/64/99/1332536499.db2.gz CMSTYYKNJNVEKA-HNNXBMFYSA-N 1 2 347.459 2.179 10 30 EEEELO C=C(Br)C[N@H+]1CC[C@H](N(CC)C(=O)CCOCC)C1 ZINC001318456870 1332540776 /nfs/dbraw/zinc/54/07/76/1332540776.db2.gz DTTMKUWACLACTA-ZDUSSCGKSA-N 1 2 333.270 2.244 10 30 EEEELO C=C(Br)C[N@@H+]1CC[C@H](N(CC)C(=O)CCOCC)C1 ZINC001318456870 1332540781 /nfs/dbraw/zinc/54/07/81/1332540781.db2.gz DTTMKUWACLACTA-ZDUSSCGKSA-N 1 2 333.270 2.244 10 30 EEEELO CC[C@H](CNC(=O)c1[nH]nc2c1CCC2)[NH2+]CC#Cc1ccccc1 ZINC001318543195 1332558344 /nfs/dbraw/zinc/55/83/44/1332558344.db2.gz TWZRBFMWBRIHRY-MRXNPFEDSA-N 1 2 336.439 2.048 10 30 EEEELO C#CCCCC(=O)NC[C@H]1C[N@H+](CCCCC(F)(F)F)CCO1 ZINC001319305373 1332678601 /nfs/dbraw/zinc/67/86/01/1332678601.db2.gz MZIXMMLJPZCRDW-AWEZNQCLSA-N 1 2 334.382 2.340 10 30 EEEELO C#CCCCC(=O)NC[C@H]1C[N@@H+](CCCCC(F)(F)F)CCO1 ZINC001319305373 1332678605 /nfs/dbraw/zinc/67/86/05/1332678605.db2.gz MZIXMMLJPZCRDW-AWEZNQCLSA-N 1 2 334.382 2.340 10 30 EEEELO CC[C@H]1C[C@@H](C(=O)NCC[N@H+](C)Cc2ccc(C#N)cc2F)CCO1 ZINC001492490888 1333020425 /nfs/dbraw/zinc/02/04/25/1333020425.db2.gz TZQFVBITYFYUFK-RDJZCZTQSA-N 1 2 347.434 2.451 10 30 EEEELO CC[C@H]1C[C@@H](C(=O)NCC[N@@H+](C)Cc2ccc(C#N)cc2F)CCO1 ZINC001492490888 1333020428 /nfs/dbraw/zinc/02/04/28/1333020428.db2.gz TZQFVBITYFYUFK-RDJZCZTQSA-N 1 2 347.434 2.451 10 30 EEEELO CC(C)Cc1nnc([C@@H](C)[NH2+]C[C@@H](C)NC(=O)C#CC(C)(C)C)o1 ZINC001321514460 1333116599 /nfs/dbraw/zinc/11/65/99/1333116599.db2.gz VTXRBOTXVCXCAQ-ZIAGYGMSSA-N 1 2 334.464 2.473 10 30 EEEELO C[C@H](C[N@H+](C)Cc1ccn(C2CCCC2)n1)NC(=O)C#CC1CC1 ZINC001322158998 1333219389 /nfs/dbraw/zinc/21/93/89/1333219389.db2.gz XQBOZHZZZNZVJX-OAHLLOKOSA-N 1 2 328.460 2.348 10 30 EEEELO C[C@H](C[N@@H+](C)Cc1ccn(C2CCCC2)n1)NC(=O)C#CC1CC1 ZINC001322158998 1333219393 /nfs/dbraw/zinc/21/93/93/1333219393.db2.gz XQBOZHZZZNZVJX-OAHLLOKOSA-N 1 2 328.460 2.348 10 30 EEEELO COCC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc2nc(C)sc2c1 ZINC001323323796 1333440704 /nfs/dbraw/zinc/44/07/04/1333440704.db2.gz KAEZWLHBKGOZBW-OAHLLOKOSA-N 1 2 343.452 2.059 10 30 EEEELO COCC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc2nc(C)sc2c1 ZINC001323323796 1333440710 /nfs/dbraw/zinc/44/07/10/1333440710.db2.gz KAEZWLHBKGOZBW-OAHLLOKOSA-N 1 2 343.452 2.059 10 30 EEEELO C=C[C@@](C)(O)CC(=O)N(C)C1C[NH+](Cc2cccc(OC(C)C)c2)C1 ZINC001323920741 1333572477 /nfs/dbraw/zinc/57/24/77/1333572477.db2.gz DRIRRWJZYNARTP-HXUWFJFHSA-N 1 2 346.471 2.444 10 30 EEEELO C=C[C@H](CC)CC(=O)N(C)C1C[NH+](C[C@@H](O)c2cccc(OC)c2)C1 ZINC001323970527 1333581485 /nfs/dbraw/zinc/58/14/85/1333581485.db2.gz XCKZUZRDCJGQMP-DNVCBOLYSA-N 1 2 346.471 2.474 10 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/nfs/dbraw/zinc/96/66/10/1333966610.db2.gz NYHSFFIMIJCPHM-IBGZPJMESA-N 1 2 345.418 2.107 10 30 EEEELO C=CCCC(=O)N[C@@]1(CO)CCC[N@H+](Cc2nc3ccccc3o2)C1 ZINC001325819352 1333967111 /nfs/dbraw/zinc/96/71/11/1333967111.db2.gz NIJIKPHBPVUMGS-IBGZPJMESA-N 1 2 343.427 2.237 10 30 EEEELO C=CCCC(=O)N[C@@]1(CO)CCC[N@@H+](Cc2nc3ccccc3o2)C1 ZINC001325819352 1333967115 /nfs/dbraw/zinc/96/71/15/1333967115.db2.gz NIJIKPHBPVUMGS-IBGZPJMESA-N 1 2 343.427 2.237 10 30 EEEELO C#CCCCC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3nnc(C)s3)C2)C1 ZINC001327523281 1334307807 /nfs/dbraw/zinc/30/78/07/1334307807.db2.gz AKGZVFALNXCTRT-SFHVURJKSA-N 1 2 346.500 2.465 10 30 EEEELO C#CCCCC(=O)N1CCC[C@@]2(CC[N@H+](Cc3nnc(C)s3)C2)C1 ZINC001327523281 1334307809 /nfs/dbraw/zinc/30/78/09/1334307809.db2.gz AKGZVFALNXCTRT-SFHVURJKSA-N 1 2 346.500 2.465 10 30 EEEELO C=CCC(CC=C)C(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2nnc(CC)o2)C1 ZINC001327864722 1334356851 /nfs/dbraw/zinc/35/68/51/1334356851.db2.gz ZCABOAPGIUYMEV-HIFRSBDPSA-N 1 2 332.448 2.337 10 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Cn1c[nH+]cc1CCNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000547805566 318324614 /nfs/dbraw/zinc/32/46/14/318324614.db2.gz UESXNXZPVUIBSJ-UHFFFAOYSA-N 1 2 347.378 2.452 10 30 EEEELO C[C@H](CC(=O)N(C)CCOCc1ccc(C#N)cc1)n1cc[nH+]c1 ZINC000580202447 324016215 /nfs/dbraw/zinc/01/62/15/324016215.db2.gz GUMJJAYIKPPFOW-OAHLLOKOSA-N 1 2 326.400 2.381 10 30 EEEELO N#Cc1ccnc(C(=O)NCc2[nH+]ccn2CCc2ccccc2)c1 ZINC000339224893 465151443 /nfs/dbraw/zinc/15/14/43/465151443.db2.gz FCBPJUODIQAIKK-UHFFFAOYSA-N 1 2 331.379 2.322 10 30 EEEELO CC[C@H](NC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1)c1c(C)noc1C ZINC000328901797 465162267 /nfs/dbraw/zinc/16/22/67/465162267.db2.gz ZNLSMMMYWNOOQH-KKUMJFAQSA-N 1 2 336.436 2.061 10 30 EEEELO CC[C@H](NC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1)c1c(C)noc1C ZINC000328901797 465162272 /nfs/dbraw/zinc/16/22/72/465162272.db2.gz ZNLSMMMYWNOOQH-KKUMJFAQSA-N 1 2 336.436 2.061 10 30 EEEELO C=C(C)COc1cccc(NC(=O)C(=O)NCc2[nH+]ccn2CC)c1 ZINC000296557499 465225133 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EEEELO C=CCSCC(=O)Nc1ccccc1OCC[NH+]1CCN(C)CC1 ZINC000069617076 463287646 /nfs/dbraw/zinc/28/76/46/463287646.db2.gz UJRTZIKAWRRRNU-UHFFFAOYSA-N 1 2 349.500 2.171 10 30 EEEELO CN(C(=O)CN1CCc2c([nH+]cn2C2CC2)C1)C1(C#N)CCCCC1 ZINC000071878903 463452830 /nfs/dbraw/zinc/45/28/30/463452830.db2.gz QKEZFPQWUVYTKW-UHFFFAOYSA-N 1 2 341.459 2.261 10 30 EEEELO C[C@](C#N)(NC(=O)C[NH+]1CCC(F)(c2ccccn2)CC1)C1CC1 ZINC000289452787 464079663 /nfs/dbraw/zinc/07/96/63/464079663.db2.gz XKIQSBSUOSUZEL-QGZVFWFLSA-N 1 2 330.407 2.151 10 30 EEEELO C=CCCCNC(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000279271764 464085189 /nfs/dbraw/zinc/08/51/89/464085189.db2.gz KNCAHARJCRRTDY-SFHVURJKSA-N 1 2 331.460 2.195 10 30 EEEELO C=CC[C@@H](CO)NC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000273440166 464715651 /nfs/dbraw/zinc/71/56/51/464715651.db2.gz YFTYMMAWRIQCEZ-PBHICJAKSA-N 1 2 333.432 2.138 10 30 EEEELO Cc1ccc(OC2CC[NH+](CC(=O)N[C@@](C)(C#N)C3CC3)CC2)nc1 ZINC000182846030 464741625 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335.492 2.132 10 30 EEEELO C=C(C)CONC(=O)NC[C@@H]1C[N@H+](Cc2ccc(C)cc2)CCO1 ZINC000875697429 1199350193 /nfs/dbraw/zinc/35/01/93/1199350193.db2.gz LKMSWLGTDGVDSG-QGZVFWFLSA-N 1 2 333.432 2.003 10 30 EEEELO C=C(C)CONC(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C)cc2)CCO1 ZINC000875697429 1199350200 /nfs/dbraw/zinc/35/02/00/1199350200.db2.gz LKMSWLGTDGVDSG-QGZVFWFLSA-N 1 2 333.432 2.003 10 30 EEEELO C=C[C@H](C)ONC(=O)NC[C@@H]1C[N@H+](Cc2cccc(C)c2)CCO1 ZINC000875699752 1199351711 /nfs/dbraw/zinc/35/17/11/1199351711.db2.gz AXOGPBFLUQBJMM-DOTOQJQBSA-N 1 2 333.432 2.001 10 30 EEEELO C=C[C@H](C)ONC(=O)NC[C@@H]1C[N@@H+](Cc2cccc(C)c2)CCO1 ZINC000875699752 1199351714 /nfs/dbraw/zinc/35/17/14/1199351714.db2.gz AXOGPBFLUQBJMM-DOTOQJQBSA-N 1 2 333.432 2.001 10 30 EEEELO C=CC[C@@H](C(=O)OC)[N@@H+]1CCCN(C(=O)c2cccc(C)c2)CC1 ZINC000877954208 1200180079 /nfs/dbraw/zinc/18/00/79/1200180079.db2.gz SFERXLZTVNRRJN-KRWDZBQOSA-N 1 2 330.428 2.261 10 30 EEEELO C=CC[C@@H](C(=O)OC)[N@H+]1CCCN(C(=O)c2cccc(C)c2)CC1 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C=CCCC(=O)N1CCC2(CC1)C[N@H+](Cc1oc(C)nc1C)CCO2 ZINC001274867565 1205196099 /nfs/dbraw/zinc/19/60/99/1205196099.db2.gz KDOIDNIZPNYVOL-UHFFFAOYSA-N 1 2 347.459 2.451 10 30 EEEELO C=CCCC(=O)N1CCC2(CC1)C[N@@H+](Cc1oc(C)nc1C)CCO2 ZINC001274867565 1205196100 /nfs/dbraw/zinc/19/61/00/1205196100.db2.gz KDOIDNIZPNYVOL-UHFFFAOYSA-N 1 2 347.459 2.451 10 30 EEEELO CCCc1noc(C[NH2+]C[C@@H](C)NC(=O)CC#Cc2ccccc2)n1 ZINC001275030481 1205238481 /nfs/dbraw/zinc/23/84/81/1205238481.db2.gz VYDAPBJKQQHSIF-OAHLLOKOSA-N 1 2 340.427 2.058 10 30 EEEELO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)C[N@H+](C)Cc1ncoc1C(C)C ZINC001275658852 1205469899 /nfs/dbraw/zinc/46/98/99/1205469899.db2.gz KJQZNTCDHWYYOC-FMKPAKJESA-N 1 2 335.448 2.326 10 30 EEEELO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)C[N@@H+](C)Cc1ncoc1C(C)C ZINC001275658852 1205469900 /nfs/dbraw/zinc/46/99/00/1205469900.db2.gz KJQZNTCDHWYYOC-FMKPAKJESA-N 1 2 335.448 2.326 10 30 EEEELO Cc1cccc(C)c1NC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)C#CC1CC1 ZINC001275827738 1205553251 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EEEELO C=CCC1(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2cnnn2C)CCCC1 ZINC001491237371 1258830181 /nfs/dbraw/zinc/83/01/81/1258830181.db2.gz KXIRJBDOQTVNPW-INIZCTEOSA-N 1 2 345.491 2.422 10 30 EEEELO CC(C)C#CC(=O)N1CCCC[C@H]1[C@@H]1CCC[N@@H+]1Cc1cnon1 ZINC001491280205 1258884862 /nfs/dbraw/zinc/88/48/62/1258884862.db2.gz FNUNBXGCVGRDLU-IRXDYDNUSA-N 1 2 330.432 2.075 10 30 EEEELO CC(C)C#CC(=O)N1CCCC[C@H]1[C@@H]1CCC[N@H+]1Cc1cnon1 ZINC001491280205 1258884871 /nfs/dbraw/zinc/88/48/71/1258884871.db2.gz FNUNBXGCVGRDLU-IRXDYDNUSA-N 1 2 330.432 2.075 10 30 EEEELO C=C1CCC(C(=O)NCCNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001491374282 1259015144 /nfs/dbraw/zinc/01/51/44/1259015144.db2.gz SZHKDUBHJHBBQY-QGZVFWFLSA-N 1 2 346.475 2.449 10 30 EEEELO C=C(C)CCC(=O)N1CCC[C@H](NC(=O)CCc2[nH+]ccn2C)[C@@H]1C ZINC001488269367 1287209413 /nfs/dbraw/zinc/20/94/13/1287209413.db2.gz UYFDVKOQJHFBFP-HOTGVXAUSA-N 1 2 346.475 2.205 10 30 EEEELO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)C1(CC=C)CCCCC1)CO2 ZINC001273729387 1284281218 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1405574934 /nfs/dbraw/zinc/57/49/34/1405574934.db2.gz SPNHVLZRQOAVGF-UHFFFAOYSA-N 1 2 345.487 2.018 10 30 EEEELO C#CCC[NH+]1CCN(C(=O)CCC(=O)c2ccc(C)c(C)c2)CC1 ZINC000064442178 773494554 /nfs/dbraw/zinc/49/45/54/773494554.db2.gz BNDQLKJSNKYBHP-UHFFFAOYSA-N 1 2 326.440 2.434 10 30 EEEELO C=CC[N@@H+]1CC[C@@H](NC(=O)c2cn[nH]c2-c2ccccn2)C(C)(C)C1 ZINC000940790374 779322911 /nfs/dbraw/zinc/32/29/11/779322911.db2.gz BBPVBIRDNBNGEL-MRXNPFEDSA-N 1 2 339.443 2.488 10 30 EEEELO C=CC[N@H+]1CC[C@@H](NC(=O)c2cn[nH]c2-c2ccccn2)C(C)(C)C1 ZINC000940790374 779322915 /nfs/dbraw/zinc/32/29/15/779322915.db2.gz BBPVBIRDNBNGEL-MRXNPFEDSA-N 1 2 339.443 2.488 10 30 EEEELO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2cnco2)C(C)(C)C1 ZINC000940928337 779517016 /nfs/dbraw/zinc/51/70/16/779517016.db2.gz HBWKZUJVADHTBJ-LBPRGKRZSA-N 1 2 342.237 2.414 10 30 EEEELO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2cnco2)C(C)(C)C1 ZINC000940928337 779517019 /nfs/dbraw/zinc/51/70/19/779517019.db2.gz HBWKZUJVADHTBJ-LBPRGKRZSA-N 1 2 342.237 2.414 10 30 EEEELO C=C[C@](C)(CC)C(=O)N1CCN(C2C[NH+](C[C@@H](F)CC)C2)CC1 ZINC000941549562 780696193 /nfs/dbraw/zinc/69/61/93/780696193.db2.gz BBSINIMJKSZPOU-MAUKXSAKSA-N 1 2 325.472 2.165 10 30 EEEELO CC#CC[NH+]1CC(N2CCN(C(=O)[C@H](CC)CC3CCCC3)CC2)C1 ZINC000941593754 780751123 /nfs/dbraw/zinc/75/11/23/780751123.db2.gz SFETXYNMRVAWOR-LJQANCHMSA-N 1 2 345.531 2.445 10 30 EEEELO C[C@H](CNC(=O)[C@]1(C#N)CC2CCC1CC2)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000912046547 787936456 /nfs/dbraw/zinc/93/64/56/787936456.db2.gz FZTFBXUOZVDABJ-CUHGXMLFSA-N 1 2 333.476 2.320 10 30 EEEELO C[C@H](CNC(=O)[C@]1(C#N)CC2CCC1CC2)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000912046547 787936457 /nfs/dbraw/zinc/93/64/57/787936457.db2.gz FZTFBXUOZVDABJ-CUHGXMLFSA-N 1 2 333.476 2.320 10 30 EEEELO CCCC[C@H](ON=C(C)C)C(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000790133979 788825435 /nfs/dbraw/zinc/82/54/35/788825435.db2.gz ZSXGPTMEGLLRSC-CVEARBPZSA-N 1 2 327.469 2.137 10 30 EEEELO Cc1c(C(=O)N2CC[NH2+][C@@H](c3ccc(F)cc3)C2)cnn1CCC#N ZINC000913816724 794321436 /nfs/dbraw/zinc/32/14/36/794321436.db2.gz VRIALVKKGYMAOV-QGZVFWFLSA-N 1 2 341.390 2.031 10 30 EEEELO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H](C#N)C1 ZINC001175999864 798311893 /nfs/dbraw/zinc/31/18/93/798311893.db2.gz MVUKEMXYIUTHRT-LBPRGKRZSA-N 1 2 332.360 2.168 10 30 EEEELO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H](C#N)C1 ZINC001175999864 798311900 /nfs/dbraw/zinc/31/19/00/798311900.db2.gz MVUKEMXYIUTHRT-LBPRGKRZSA-N 1 2 332.360 2.168 10 30 EEEELO O=C(OCC#Cc1ccccc1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000791395220 809224457 /nfs/dbraw/zinc/22/44/57/809224457.db2.gz KPYYJUDMYLOLNL-HXUWFJFHSA-N 1 2 335.403 2.482 10 30 EEEELO O=C(OCC#Cc1ccccc1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000791395220 809224463 /nfs/dbraw/zinc/22/44/63/809224463.db2.gz KPYYJUDMYLOLNL-HXUWFJFHSA-N 1 2 335.403 2.482 10 30 EEEELO C=C(C)[C@H](CC(=O)N[C@H]1CC[N@H+](Cc2coc(C)n2)[C@@H]1C)OCC ZINC001566090110 1125554815 /nfs/dbraw/zinc/55/48/15/1125554815.db2.gz APILOGHCJMSZTG-COXVUDFISA-N 1 2 335.448 2.433 10 30 EEEELO C=C(C)[C@H](CC(=O)N[C@H]1CC[N@@H+](Cc2coc(C)n2)[C@@H]1C)OCC ZINC001566090110 1125554822 /nfs/dbraw/zinc/55/48/22/1125554822.db2.gz APILOGHCJMSZTG-COXVUDFISA-N 1 2 335.448 2.433 10 30 EEEELO C[C@H](CNC(=O)C(F)C(F)(F)F)[NH2+]Cc1ccc(C#N)cc1F ZINC001437140345 1089132872 /nfs/dbraw/zinc/13/28/72/1089132872.db2.gz XUXRLRVJOZOFSB-PRHODGIISA-N 1 2 335.276 2.192 10 30 EEEELO C[C@H](CNC(=O)[C@@H](F)C(F)(F)F)[NH2+]Cc1ccc(C#N)cc1F ZINC001437140345 1089132881 /nfs/dbraw/zinc/13/28/81/1089132881.db2.gz XUXRLRVJOZOFSB-PRHODGIISA-N 1 2 335.276 2.192 10 30 EEEELO C=C(Br)C[N@H+](CCC)CCNC(=O)c1c[nH]c(C#N)c1 ZINC001437750064 1090315602 /nfs/dbraw/zinc/31/56/02/1090315602.db2.gz AOEAZHRBJIXPSL-UHFFFAOYSA-N 1 2 339.237 2.237 10 30 EEEELO C=C(Br)C[N@@H+](CCC)CCNC(=O)c1c[nH]c(C#N)c1 ZINC001437750064 1090315606 /nfs/dbraw/zinc/31/56/06/1090315606.db2.gz AOEAZHRBJIXPSL-UHFFFAOYSA-N 1 2 339.237 2.237 10 30 EEEELO CC(C)c1noc([C@H](C)[NH2+]C2(CNC(=O)c3cc(C#N)c[nH]3)CC2)n1 ZINC001446170663 1092228996 /nfs/dbraw/zinc/22/89/96/1092228996.db2.gz PZBFFHDSGYGONB-NSHDSACASA-N 1 2 342.403 2.006 10 30 EEEELO C[C@@H](CNC(=O)c1ccsn1)[N@H+](C)Cc1cc(F)ccc1C#N ZINC001440936382 1094188653 /nfs/dbraw/zinc/18/86/53/1094188653.db2.gz UFPWBPSIDJVXFQ-NSHDSACASA-N 1 2 332.404 2.404 10 30 EEEELO C[C@@H](CNC(=O)c1ccsn1)[N@@H+](C)Cc1cc(F)ccc1C#N ZINC001440936382 1094188655 /nfs/dbraw/zinc/18/86/55/1094188655.db2.gz UFPWBPSIDJVXFQ-NSHDSACASA-N 1 2 332.404 2.404 10 30 EEEELO C[C@@H](CNC(=O)[C@]1(C)CCOC1)[N@H+](C)Cc1cc(F)ccc1C#N ZINC001440977516 1094236907 /nfs/dbraw/zinc/23/69/07/1094236907.db2.gz MROYOFKNOAXUPJ-SCLBCKFNSA-N 1 2 333.407 2.060 10 30 EEEELO C[C@@H](CNC(=O)[C@]1(C)CCOC1)[N@@H+](C)Cc1cc(F)ccc1C#N ZINC001440977516 1094236911 /nfs/dbraw/zinc/23/69/11/1094236911.db2.gz MROYOFKNOAXUPJ-SCLBCKFNSA-N 1 2 333.407 2.060 10 30 EEEELO CO[C@H](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC001443139841 1097568998 /nfs/dbraw/zinc/56/89/98/1097568998.db2.gz SJQJQLORRLBTTF-XYPHTWIQSA-N 1 2 345.418 2.298 10 30 EEEELO CO[C@H](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(F)c(C#N)c1 ZINC001443139841 1097569002 /nfs/dbraw/zinc/56/90/02/1097569002.db2.gz SJQJQLORRLBTTF-XYPHTWIQSA-N 1 2 345.418 2.298 10 30 EEEELO C=C(Br)C[N@H+]1CC[C@H](N(C)C(=O)COC(C)(C)C)C1 ZINC001443805388 1098296442 /nfs/dbraw/zinc/29/64/42/1098296442.db2.gz NKTNRBAKTGFDAN-LBPRGKRZSA-N 1 2 333.270 2.243 10 30 EEEELO C=C(Br)C[N@@H+]1CC[C@H](N(C)C(=O)COC(C)(C)C)C1 ZINC001443805388 1098296444 /nfs/dbraw/zinc/29/64/44/1098296444.db2.gz NKTNRBAKTGFDAN-LBPRGKRZSA-N 1 2 333.270 2.243 10 30 EEEELO C=C(Br)C[N@H+]1CC[C@H](NC(=O)CCCOCC)[C@H]1C ZINC001479698664 1098769094 /nfs/dbraw/zinc/76/90/94/1098769094.db2.gz NPURTYLGQNKWIL-OLZOCXBDSA-N 1 2 333.270 2.291 10 30 EEEELO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)CCCOCC)[C@H]1C ZINC001479698664 1098769098 /nfs/dbraw/zinc/76/90/98/1098769098.db2.gz NPURTYLGQNKWIL-OLZOCXBDSA-N 1 2 333.270 2.291 10 30 EEEELO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cc(C)c(C)o2)C1 ZINC001479950032 1099379414 /nfs/dbraw/zinc/37/94/14/1099379414.db2.gz JPIRVHCZEVIPOS-MRXNPFEDSA-N 1 2 347.459 2.125 10 30 EEEELO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@@H](NC(=O)c2cc(C)c(C)o2)C1 ZINC001479950032 1099379425 /nfs/dbraw/zinc/37/94/25/1099379425.db2.gz JPIRVHCZEVIPOS-MRXNPFEDSA-N 1 2 347.459 2.125 10 30 EEEELO CCCc1noc(C[N@@H+]2CCC[C@H]([C@H](C)NC(=O)C#CC3CC3)C2)n1 ZINC001480379462 1100169381 /nfs/dbraw/zinc/16/93/81/1100169381.db2.gz JVHDBGFZLLKMDN-HOCLYGCPSA-N 1 2 344.459 2.152 10 30 EEEELO CCCc1noc(C[N@H+]2CCC[C@H]([C@H](C)NC(=O)C#CC3CC3)C2)n1 ZINC001480379462 1100169387 /nfs/dbraw/zinc/16/93/87/1100169387.db2.gz JVHDBGFZLLKMDN-HOCLYGCPSA-N 1 2 344.459 2.152 10 30 EEEELO C=C(Br)C[N@H+]1CCC[C@@](C)(CNC(=O)[C@H](C)OC)C1 ZINC001446666054 1101193734 /nfs/dbraw/zinc/19/37/34/1101193734.db2.gz RJUJOOWLAPYSOW-JSGCOSHPSA-N 1 2 333.270 2.148 10 30 EEEELO C=C(Br)C[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H](C)OC)C1 ZINC001446666054 1101193740 /nfs/dbraw/zinc/19/37/40/1101193740.db2.gz RJUJOOWLAPYSOW-JSGCOSHPSA-N 1 2 333.270 2.148 10 30 EEEELO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)Cc2ccc3cccnc3c2)C1 ZINC001495853044 1101674285 /nfs/dbraw/zinc/67/42/85/1101674285.db2.gz BUWWWMFHOUKFEF-SFHVURJKSA-N 1 2 339.439 2.170 10 30 EEEELO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)Cc2ccc3cccnc3c2)C1 ZINC001495853044 1101674288 /nfs/dbraw/zinc/67/42/88/1101674288.db2.gz BUWWWMFHOUKFEF-SFHVURJKSA-N 1 2 339.439 2.170 10 30 EEEELO C=CC(C)(C)CC(=O)N1CCC[C@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001497101187 1101959657 /nfs/dbraw/zinc/95/96/57/1101959657.db2.gz CQBSCLKPEDVMGR-HNNXBMFYSA-N 1 2 332.448 2.052 10 30 EEEELO C=CC(C)(C)CC(=O)N1CCC[C@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001497101187 1101959666 /nfs/dbraw/zinc/95/96/66/1101959666.db2.gz CQBSCLKPEDVMGR-HNNXBMFYSA-N 1 2 332.448 2.052 10 30 EEEELO CCN(CC[NH2+][C@@H](C)c1nc(C(C)C)no1)C(=O)c1ccc(C#N)[nH]1 ZINC001497371976 1102398946 /nfs/dbraw/zinc/39/89/46/1102398946.db2.gz ROYAMKAGSGVWJX-LBPRGKRZSA-N 1 2 344.419 2.206 10 30 EEEELO N#Cc1ccc(C[NH2+]C/C=C/CNC(=O)[C@H]2CCCc3[nH]ncc32)cc1 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C=CC[N@H+]1CCO[C@H](CNC(=O)CC[C@@H]2CCc3ccccc32)C1 ZINC001268029438 1181195094 /nfs/dbraw/zinc/19/50/94/1181195094.db2.gz VDNBMICFHGSUSE-ZWKOTPCHSA-N 1 2 328.456 2.500 10 30 EEEELO C=C(Cl)CN1CC[NH+](CCN(C)C(=O)[C@@H]2CC=CCC2)CC1 ZINC001481462735 1181466183 /nfs/dbraw/zinc/46/61/83/1181466183.db2.gz GCPPYRWRFBWDPT-MRXNPFEDSA-N 1 2 325.884 2.171 10 30 EEEELO C=CCOCC[NH+]1CC(NC(=O)C2(c3cccc(Cl)c3)CC2)C1 ZINC001481561384 1181721080 /nfs/dbraw/zinc/72/10/80/1181721080.db2.gz AROLSRHFOQPNFF-UHFFFAOYSA-N 1 2 334.847 2.375 10 30 EEEELO C=C(C)CN(CC)C(=O)C[NH+]1CC(CNC(=O)CC2CCCC2)C1 ZINC001268495509 1183007421 /nfs/dbraw/zinc/00/74/21/1183007421.db2.gz SMOCWGHITMTZEE-UHFFFAOYSA-N 1 2 335.492 2.039 10 30 EEEELO C#Cc1ccc(C(=O)N[C@@H](C)C[NH2+][C@@H](C)c2nc(CC)no2)cc1 ZINC001268698784 1183620696 /nfs/dbraw/zinc/62/06/96/1183620696.db2.gz YZLGOXTWNHRKOF-STQMWFEESA-N 1 2 326.400 2.082 10 30 EEEELO C=C[C@](C)(O)CC(=O)NCC1C[NH+](Cc2nsc3ccccc23)C1 ZINC001268822198 1183741394 /nfs/dbraw/zinc/74/13/94/1183741394.db2.gz GDSYQWGBKSHNFN-SFHVURJKSA-N 1 2 345.468 2.171 10 30 EEEELO C#CCCCC(=O)N[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2)C1 ZINC001269019310 1183901783 /nfs/dbraw/zinc/90/17/83/1183901783.db2.gz WGMSJOQRJZKWQY-RDJZCZTQSA-N 1 2 327.428 2.008 10 30 EEEELO C#CCCCC(=O)N[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccccc2)C1 ZINC001269019310 1183901785 /nfs/dbraw/zinc/90/17/85/1183901785.db2.gz WGMSJOQRJZKWQY-RDJZCZTQSA-N 1 2 327.428 2.008 10 30 EEEELO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccc(C(C)(C)C)cc2)C1 ZINC001269084236 1183947134 /nfs/dbraw/zinc/94/71/34/1183947134.db2.gz RKMFUAJGPRVGGB-KRWDZBQOSA-N 1 2 343.471 2.090 10 30 EEEELO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccc(C(C)(C)C)cc2)C1 ZINC001269084236 1183947138 /nfs/dbraw/zinc/94/71/38/1183947138.db2.gz RKMFUAJGPRVGGB-KRWDZBQOSA-N 1 2 343.471 2.090 10 30 EEEELO C=CCCC(=O)NC[C@@H]1CC[N@@H+]1[C@@H]1CCCN(c2ccccc2)C1=O ZINC001269206362 1184058048 /nfs/dbraw/zinc/05/80/48/1184058048.db2.gz VQVIHEXLEDIHLQ-ZWKOTPCHSA-N 1 2 341.455 2.339 10 30 EEEELO C=CCCC(=O)NC[C@@H]1CC[N@H+]1[C@@H]1CCCN(c2ccccc2)C1=O ZINC001269206362 1184058057 /nfs/dbraw/zinc/05/80/57/1184058057.db2.gz VQVIHEXLEDIHLQ-ZWKOTPCHSA-N 1 2 341.455 2.339 10 30 EEEELO C=CCCC(=O)N(C)[C@@H]1CC[N@H+](Cc2nnc(-c3ccco3)o2)C1 ZINC001269220996 1184069113 /nfs/dbraw/zinc/06/91/13/1184069113.db2.gz FBCJXWLXOVRDPT-CYBMUJFWSA-N 1 2 330.388 2.329 10 30 EEEELO C=CCCC(=O)N(C)[C@@H]1CC[N@@H+](Cc2nnc(-c3ccco3)o2)C1 ZINC001269220996 1184069120 /nfs/dbraw/zinc/06/91/20/1184069120.db2.gz FBCJXWLXOVRDPT-CYBMUJFWSA-N 1 2 330.388 2.329 10 30 EEEELO COCC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc2cc(Cl)ccc2[nH]1 ZINC001269271843 1184123953 /nfs/dbraw/zinc/12/39/53/1184123953.db2.gz FCGAVYPZCKQMCB-HNNXBMFYSA-N 1 2 345.830 2.275 10 30 EEEELO COCC#CC[N@H+]1CC[C@H]1CNC(=O)c1cc2cc(Cl)ccc2[nH]1 ZINC001269271843 1184123956 /nfs/dbraw/zinc/12/39/56/1184123956.db2.gz FCGAVYPZCKQMCB-HNNXBMFYSA-N 1 2 345.830 2.275 10 30 EEEELO CC(C)C#CC(=O)NCCC1CC[NH+](Cc2nnc(C(C)C)[nH]2)CC1 ZINC001270111645 1184856142 /nfs/dbraw/zinc/85/61/42/1184856142.db2.gz SFCIBOYRUFJZIQ-UHFFFAOYSA-N 1 2 345.491 2.306 10 30 EEEELO C#CCN(C(=O)C[C@H](C)COC)C1CC[NH+](Cc2cc(C)on2)CC1 ZINC001270359606 1185043862 /nfs/dbraw/zinc/04/38/62/1185043862.db2.gz YBRFDDDHRPMLIZ-HNNXBMFYSA-N 1 2 347.459 2.082 10 30 EEEELO C=CCCC(=O)N[C@]1(C)CC[N@@H+]([C@H](CC)C(=O)Nc2cc(C)on2)C1 ZINC001270557791 1185168080 /nfs/dbraw/zinc/16/80/80/1185168080.db2.gz NRUABRBFSQAUJG-RDTXWAMCSA-N 1 2 348.447 2.247 10 30 EEEELO C=CCCC(=O)N[C@]1(C)CC[N@H+]([C@H](CC)C(=O)Nc2cc(C)on2)C1 ZINC001270557791 1185168087 /nfs/dbraw/zinc/16/80/87/1185168087.db2.gz NRUABRBFSQAUJG-RDTXWAMCSA-N 1 2 348.447 2.247 10 30 EEEELO C=CC[N@@H+]1CCO[C@@H](CNC(=O)Cc2cccc(OC(C)C)c2)C1 ZINC001270700829 1185326021 /nfs/dbraw/zinc/32/60/21/1185326021.db2.gz LMJNJPRVJUZVJP-SFHVURJKSA-N 1 2 332.444 2.019 10 30 EEEELO C=CC[N@H+]1CCO[C@@H](CNC(=O)Cc2cccc(OC(C)C)c2)C1 ZINC001270700829 1185326024 /nfs/dbraw/zinc/32/60/24/1185326024.db2.gz LMJNJPRVJUZVJP-SFHVURJKSA-N 1 2 332.444 2.019 10 30 EEEELO CCc1noc([C@@H](C)[NH2+]C[C@H](CC(C)C)NC(=O)C#CC2CC2)n1 ZINC001482384655 1185577286 /nfs/dbraw/zinc/57/72/86/1185577286.db2.gz VKLOUAVZMMFZNX-HIFRSBDPSA-N 1 2 332.448 2.227 10 30 EEEELO C#Cc1ccc(C(=O)N[C@H](C[NH2+]Cc2cnsn2)CC(C)C)cc1 ZINC001482390025 1185591077 /nfs/dbraw/zinc/59/10/77/1185591077.db2.gz DTXYJHVPYZPALV-INIZCTEOSA-N 1 2 342.468 2.454 10 30 EEEELO C=CCC1(C(=O)NC[C@]2(O)CC[N@@H+](Cc3ncc(C)o3)C2)CCCC1 ZINC001271229668 1186094721 /nfs/dbraw/zinc/09/47/21/1186094721.db2.gz UXZOZKFNDJPUJX-LJQANCHMSA-N 1 2 347.459 2.173 10 30 EEEELO C=CCC1(C(=O)NC[C@]2(O)CC[N@H+](Cc3ncc(C)o3)C2)CCCC1 ZINC001271229668 1186094726 /nfs/dbraw/zinc/09/47/26/1186094726.db2.gz UXZOZKFNDJPUJX-LJQANCHMSA-N 1 2 347.459 2.173 10 30 EEEELO C=CC(C)(C)CC(=O)NCC1(O)C[NH+](Cc2ccc3c(c2)CCC3)C1 ZINC001271289190 1186122658 /nfs/dbraw/zinc/12/26/58/1186122658.db2.gz IGDCNBOVBZSEKT-UHFFFAOYSA-N 1 2 342.483 2.441 10 30 EEEELO C=C1CC(C)(C(=O)N[C@H](C[NH2+]Cc2nc(N(C)C)no2)CC(C)C)C1 ZINC001271294575 1186124676 /nfs/dbraw/zinc/12/46/76/1186124676.db2.gz PUFAJMMPWHBQKC-AWEZNQCLSA-N 1 2 349.479 2.112 10 30 EEEELO C=C1CC(C)(C(=O)NCC2(O)C[NH+](Cc3cc(C)cc(C)c3)C2)C1 ZINC001271349478 1186155850 /nfs/dbraw/zinc/15/58/50/1186155850.db2.gz GMNMLDOUYOXOPI-UHFFFAOYSA-N 1 2 328.456 2.323 10 30 EEEELO CCCc1nc(C[NH2+]C[C@@H]2[C@@H](C)CCCN2C(=O)C#CC(C)C)no1 ZINC001271705588 1186385524 /nfs/dbraw/zinc/38/55/24/1186385524.db2.gz PCAOHPUIDBYTQM-JKSUJKDBSA-N 1 2 346.475 2.398 10 30 EEEELO C#Cc1cncc(C(=O)NCC2([NH2+]Cc3ncc(C(C)C)o3)CC2)c1 ZINC001670855451 1187508386 /nfs/dbraw/zinc/50/83/86/1187508386.db2.gz WCIMDUZCFQCLAX-UHFFFAOYSA-N 1 2 338.411 2.227 10 30 EEEELO C=C(Br)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCCOC ZINC001670946882 1193530629 /nfs/dbraw/zinc/53/06/29/1193530629.db2.gz PSJGWCRHFCIMHB-KGLIPLIRSA-N 1 2 345.281 2.387 10 30 EEEELO C=C(Br)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCCOC ZINC001670946882 1193530631 /nfs/dbraw/zinc/53/06/31/1193530631.db2.gz PSJGWCRHFCIMHB-KGLIPLIRSA-N 1 2 345.281 2.387 10 30 EEEELO C#CC[NH2+]Cc1nc2c(s1)CCN(C(=O)CCCn1cccc1)C2 ZINC001691808860 1188256958 /nfs/dbraw/zinc/25/69/58/1188256958.db2.gz HSLRCAQGGWSXNM-UHFFFAOYSA-N 1 2 342.468 2.033 10 30 EEEELO CCC/C=C\CC[N@@H+]1CCOC[C@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC001272844148 1193574141 /nfs/dbraw/zinc/57/41/41/1193574141.db2.gz ZEGJJCUBKWPSOJ-YIEVGGLXSA-N 1 2 330.432 2.063 10 30 EEEELO CCC/C=C\CC[N@H+]1CCOC[C@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC001272844148 1193574143 /nfs/dbraw/zinc/57/41/43/1193574143.db2.gz ZEGJJCUBKWPSOJ-YIEVGGLXSA-N 1 2 330.432 2.063 10 30 EEEELO C#CCC[N@H+]1CCOC[C@@H]1CNC(=O)C[C@@H]1CCCc2ccccc21 ZINC001272901257 1193597618 /nfs/dbraw/zinc/59/76/18/1193597618.db2.gz GBQJUPNXCJXNNB-OALUTQOASA-N 1 2 340.467 2.337 10 30 EEEELO C#CCC[N@@H+]1CCOC[C@@H]1CNC(=O)C[C@@H]1CCCc2ccccc21 ZINC001272901257 1193597620 /nfs/dbraw/zinc/59/76/20/1193597620.db2.gz GBQJUPNXCJXNNB-OALUTQOASA-N 1 2 340.467 2.337 10 30 EEEELO C=CCCC(=O)N(C)C[C@@H](C)[NH2+]Cc1nn(C)cc1Br ZINC001485854300 1193616982 /nfs/dbraw/zinc/61/69/82/1193616982.db2.gz QQAPWSGTAWUFJM-LLVKDONJSA-N 1 2 343.269 2.085 10 30 EEEELO C[C@@H]1C[C@H]([NH2+]Cc2nnc(C3CC3)o2)CN1C(=O)C#CC(C)(C)C ZINC001486106978 1193684347 /nfs/dbraw/zinc/68/43/47/1193684347.db2.gz BLAKQNGMNZJTTI-OCCSQVGLSA-N 1 2 330.432 2.076 10 30 EEEELO C#CCN(C(=O)[C@@H]1CC=CCC1)C1CC[NH+](Cc2nccn2C)CC1 ZINC001483978748 1191139394 /nfs/dbraw/zinc/13/93/94/1191139394.db2.gz HBDYVRBSDQDITK-QGZVFWFLSA-N 1 2 340.471 2.203 10 30 EEEELO C#CCN(C(=O)/C(C)=C\C)C1CC[NH+](Cc2cc3n(n2)CCC3)CC1 ZINC001483981925 1191140985 /nfs/dbraw/zinc/14/09/85/1191140985.db2.gz BTMMPOYCHDVQJM-BNCCVWRVSA-N 1 2 340.471 2.222 10 30 EEEELO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)COCC(F)F)C1 ZINC001484197889 1191269156 /nfs/dbraw/zinc/26/91/56/1191269156.db2.gz DKYNDRMOSCHZPS-SNVBAGLBSA-N 1 2 346.752 2.094 10 30 EEEELO C=C(Cl)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)COCC(F)F)C1 ZINC001484197889 1191269157 /nfs/dbraw/zinc/26/91/57/1191269157.db2.gz DKYNDRMOSCHZPS-SNVBAGLBSA-N 1 2 346.752 2.094 10 30 EEEELO C=CCCCC(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2Cc1nc(N(C)C)no1 ZINC001484461188 1191365767 /nfs/dbraw/zinc/36/57/67/1191365767.db2.gz HLMUSGNJNZCXNB-LSDHHAIUSA-N 1 2 347.463 2.057 10 30 EEEELO C=CCCCC(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2Cc1nc(N(C)C)no1 ZINC001484461188 1191365769 /nfs/dbraw/zinc/36/57/69/1191365769.db2.gz HLMUSGNJNZCXNB-LSDHHAIUSA-N 1 2 347.463 2.057 10 30 EEEELO C#CCC[N@H+]1CCOC[C@@H]1CNC(=O)C[C@@H](C)c1ccc(F)cc1 ZINC001484610457 1191441353 /nfs/dbraw/zinc/44/13/53/1191441353.db2.gz RZMAOGPIEBGSHY-QAPCUYQASA-N 1 2 332.419 2.160 10 30 EEEELO C#CCC[N@@H+]1CCOC[C@@H]1CNC(=O)C[C@@H](C)c1ccc(F)cc1 ZINC001484610457 1191441354 /nfs/dbraw/zinc/44/13/54/1191441354.db2.gz RZMAOGPIEBGSHY-QAPCUYQASA-N 1 2 332.419 2.160 10 30 EEEELO CCCCCC(C)(C)C(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001484703285 1191473581 /nfs/dbraw/zinc/47/35/81/1191473581.db2.gz GDEQPFJPLLPBOJ-KRWDZBQOSA-N 1 2 334.508 2.335 10 30 EEEELO C=CCC[NH+]1CC2(C1)CN(C(=O)CCOCc1ccccc1)CCO2 ZINC001484778530 1191517175 /nfs/dbraw/zinc/51/71/75/1191517175.db2.gz PSWDKWDFPNYMDY-UHFFFAOYSA-N 1 2 344.455 2.083 10 30 EEEELO C=C[C@H](C(=O)N[C@@H]1COC2(C[NH+](CC(=C)C)C2)C1)c1ccccc1 ZINC001484803285 1191524805 /nfs/dbraw/zinc/52/48/05/1191524805.db2.gz AYVZCNDDRCMNTR-ROUUACIJSA-N 1 2 326.440 2.492 10 30 EEEELO C=C(Br)C[NH+]1CCC(CO)(NC(=O)CC(C)(C)C)CC1 ZINC001485013111 1191610280 /nfs/dbraw/zinc/61/02/80/1191610280.db2.gz JCOMHFZQLONXSG-UHFFFAOYSA-N 1 2 347.297 2.274 10 30 EEEELO C=CCC[NH+]1CC(CCO)(NC(=O)c2coc(C3CCCCC3)n2)C1 ZINC001485425334 1191779357 /nfs/dbraw/zinc/77/93/57/1191779357.db2.gz FXXWCICEGOYFMS-UHFFFAOYSA-N 1 2 347.459 2.465 10 30 EEEELO C=C(C)C[NH+]1CC(CCO)(NC(=O)c2cc3cc(C)ccc3[nH]2)C1 ZINC001485413576 1191779915 /nfs/dbraw/zinc/77/99/15/1191779915.db2.gz WEAIOELQDCXLAT-UHFFFAOYSA-N 1 2 327.428 2.219 10 30 EEEELO CC#CCCCC(=O)N(CC[N@H+](C)CC(=O)NC(C)(C)C)C(C)C ZINC001486374253 1193881294 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Cn1c[nH+]c(CCNC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c1 ZINC000590948024 468379082 /nfs/dbraw/zinc/37/90/82/468379082.db2.gz ROFGWXUXQNWCAQ-ZWKOTPCHSA-N 1 2 337.427 2.444 10 30 EEEELO C#CC[C@H](Cc1ccccc1)NC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000287448418 463899084 /nfs/dbraw/zinc/89/90/84/463899084.db2.gz OBMZUTSOFHAEJD-ZHALLVOQSA-N 1 2 343.471 2.029 10 30 EEEELO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCO[C@@H](CN(C)c2cccnn2)C1 ZINC000229913823 464201310 /nfs/dbraw/zinc/20/13/10/464201310.db2.gz VGLSZKACOSCBHE-YJBOKZPZSA-N 1 2 337.427 2.246 10 30 EEEELO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCO[C@@H](CN(C)c2cccnn2)C1 ZINC000229913823 464201315 /nfs/dbraw/zinc/20/13/15/464201315.db2.gz VGLSZKACOSCBHE-YJBOKZPZSA-N 1 2 337.427 2.246 10 30 EEEELO CCN(C[C@@H](C)C#N)C(=O)CN1CCC[C@@H]1c1[nH]c2c([nH+]1)CCCC2 ZINC000275506121 464777202 /nfs/dbraw/zinc/77/72/02/464777202.db2.gz ARLHNPOOEUTIFO-WMLDXEAASA-N 1 2 343.475 2.434 10 30 EEEELO C=CCn1c([C@H](C)CC)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000282377965 464795061 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AGPGUPQYNOXKRE-DVJZZOLTSA-N 1 2 345.365 2.124 10 30 EEEELO CC[N@H+]1CC[C@H](NC(=O)N[C@H](C)CO)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000330790939 465804861 /nfs/dbraw/zinc/80/48/61/465804861.db2.gz AGPGUPQYNOXKRE-DVJZZOLTSA-N 1 2 345.365 2.124 10 30 EEEELO Cn1nccc1[C@H]1CCCC[N@@H+]1CC(=O)NCc1cccc(C#N)c1 ZINC000366866202 465982720 /nfs/dbraw/zinc/98/27/20/465982720.db2.gz FJLHPPFIBMZBDH-GOSISDBHSA-N 1 2 337.427 2.135 10 30 EEEELO Cn1nccc1[C@H]1CCCC[N@H+]1CC(=O)NCc1cccc(C#N)c1 ZINC000366866202 465982721 /nfs/dbraw/zinc/98/27/21/465982721.db2.gz FJLHPPFIBMZBDH-GOSISDBHSA-N 1 2 337.427 2.135 10 30 EEEELO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CCN1CC(F)F ZINC000346209062 465993511 /nfs/dbraw/zinc/99/35/11/465993511.db2.gz NSOHRNZXLMPJBD-CPUCHLNUSA-N 1 2 344.450 2.091 10 30 EEEELO CC[C@@H]1C[N@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CCN1CC(F)F ZINC000346209062 465993514 /nfs/dbraw/zinc/99/35/14/465993514.db2.gz NSOHRNZXLMPJBD-CPUCHLNUSA-N 1 2 344.450 2.091 10 30 EEEELO Cc1ccc(CCCC(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1 ZINC000346521166 466108103 /nfs/dbraw/zinc/10/81/03/466108103.db2.gz XPEQSBXJACQRAY-UHFFFAOYSA-N 1 2 343.471 2.392 10 30 EEEELO CC[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)Cc1ccncc1 ZINC000321831059 466625853 /nfs/dbraw/zinc/62/58/53/466625853.db2.gz GEOZANXKVMVRMO-UHFFFAOYSA-N 1 2 329.425 2.249 10 30 EEEELO CC[N@@H+](CCS(=O)(=O)c1cccc(C#N)c1)Cc1ccncc1 ZINC000321831059 466625863 /nfs/dbraw/zinc/62/58/63/466625863.db2.gz GEOZANXKVMVRMO-UHFFFAOYSA-N 1 2 329.425 2.249 10 30 EEEELO Cc1oc(NC(=O)C[N@@H+]2CCC[C@H](c3ccncn3)C2)c(C#N)c1C ZINC000373936032 466975330 /nfs/dbraw/zinc/97/53/30/466975330.db2.gz FTUSGBXYQYXHGA-AWEZNQCLSA-N 1 2 339.399 2.376 10 30 EEEELO Cc1oc(NC(=O)C[N@H+]2CCC[C@H](c3ccncn3)C2)c(C#N)c1C ZINC000373936032 466975333 /nfs/dbraw/zinc/97/53/33/466975333.db2.gz FTUSGBXYQYXHGA-AWEZNQCLSA-N 1 2 339.399 2.376 10 30 EEEELO C=CCC1(C(=O)N2CC[NH+](Cc3ccncc3)CC2)CCOCC1 ZINC000424543953 467066112 /nfs/dbraw/zinc/06/61/12/467066112.db2.gz OXSACSUDBKXXJZ-UHFFFAOYSA-N 1 2 329.444 2.099 10 30 EEEELO N#C[C@@H]1CN(C(=O)/C=C/c2ccc(-n3cc[nH+]c3)cc2)CCN1C1CC1 ZINC000370995045 467066956 /nfs/dbraw/zinc/06/69/56/467066956.db2.gz XSCOWQBOKVNPBV-DPAQFELZSA-N 1 2 347.422 2.084 10 30 EEEELO C=C[C@@H]1OCC[C@H]1CNC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000424928528 467083476 /nfs/dbraw/zinc/08/34/76/467083476.db2.gz ZLPWLADGHOGMLI-WMZOPIPTSA-N 1 2 325.412 2.181 10 30 EEEELO N#Cc1ccc([C@@H](C(N)=O)[NH+]2CCC(F)(c3ccccn3)CC2)cc1 ZINC000450933199 467209666 /nfs/dbraw/zinc/20/96/66/467209666.db2.gz UJICNSVWTLSNFE-KRWDZBQOSA-N 1 2 338.386 2.440 10 30 EEEELO COC(=O)c1sccc1C[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000428807173 467271628 /nfs/dbraw/zinc/27/16/28/467271628.db2.gz QIVVGPZVQXFMGO-AWEZNQCLSA-N 1 2 343.408 2.455 10 30 EEEELO COC(=O)c1sccc1C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000428807173 467271632 /nfs/dbraw/zinc/27/16/32/467271632.db2.gz QIVVGPZVQXFMGO-AWEZNQCLSA-N 1 2 343.408 2.455 10 30 EEEELO Cc1cc(C(=O)N2CC[N@H+](Cc3ccc(C#N)c(C)c3)[C@H](C)C2)[nH]n1 ZINC000453610517 467504372 /nfs/dbraw/zinc/50/43/72/467504372.db2.gz JJZAHCANYCOAJB-OAHLLOKOSA-N 1 2 337.427 2.245 10 30 EEEELO Cc1cc(C(=O)N2CC[N@@H+](Cc3ccc(C#N)c(C)c3)[C@H](C)C2)[nH]n1 ZINC000453610517 467504378 /nfs/dbraw/zinc/50/43/78/467504378.db2.gz JJZAHCANYCOAJB-OAHLLOKOSA-N 1 2 337.427 2.245 10 30 EEEELO Cc1cc(C(=O)N2CC[N@H+](Cc3ccc(C#N)c(C)c3)[C@H](C)C2)n[nH]1 ZINC000453610517 467504381 /nfs/dbraw/zinc/50/43/81/467504381.db2.gz JJZAHCANYCOAJB-OAHLLOKOSA-N 1 2 337.427 2.245 10 30 EEEELO Cc1cc(C(=O)N2CC[N@@H+](Cc3ccc(C#N)c(C)c3)[C@H](C)C2)n[nH]1 ZINC000453610517 467504385 /nfs/dbraw/zinc/50/43/85/467504385.db2.gz JJZAHCANYCOAJB-OAHLLOKOSA-N 1 2 337.427 2.245 10 30 EEEELO CCOC(=O)c1cnn(C2CC[NH+](Cc3nc(C#N)cs3)CC2)c1 ZINC000449410112 467640878 /nfs/dbraw/zinc/64/08/78/467640878.db2.gz UPGVJUFCRWXJGY-UHFFFAOYSA-N 1 2 345.428 2.225 10 30 EEEELO C=CCn1c(C)cc(C(=O)C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)c1C ZINC000528783166 467753564 /nfs/dbraw/zinc/75/35/64/467753564.db2.gz LHBCLKRFBHPBGC-SYJLOODJSA-N 1 2 334.485 2.459 10 30 EEEELO C=CCn1c(C)cc(C(=O)C[N@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)c1C ZINC000528783166 467753568 /nfs/dbraw/zinc/75/35/68/467753568.db2.gz LHBCLKRFBHPBGC-SYJLOODJSA-N 1 2 334.485 2.459 10 30 EEEELO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000576143513 468160984 /nfs/dbraw/zinc/16/09/84/468160984.db2.gz WXLCSVUFTIIPJX-KDOFPFPSSA-N 1 2 343.427 2.303 10 30 EEEELO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000576143513 468160988 /nfs/dbraw/zinc/16/09/88/468160988.db2.gz WXLCSVUFTIIPJX-KDOFPFPSSA-N 1 2 343.427 2.303 10 30 EEEELO C[C@H](O)[C@H]1CCN(c2cc(NCc3ccc(CC#N)cc3)[nH+]cn2)C1 ZINC000576752093 468172250 /nfs/dbraw/zinc/17/22/50/468172250.db2.gz YAWREIWKJLJWEL-YOEHRIQHSA-N 1 2 337.427 2.362 10 30 EEEELO C[C@H](O)[C@H]1CCN(c2cc(NCc3ccc(CC#N)cc3)nc[nH+]2)C1 ZINC000576752093 468172257 /nfs/dbraw/zinc/17/22/57/468172257.db2.gz YAWREIWKJLJWEL-YOEHRIQHSA-N 1 2 337.427 2.362 10 30 EEEELO C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)CC1(C#N)CC1 ZINC000590213916 468224174 /nfs/dbraw/zinc/22/41/74/468224174.db2.gz JFGGQQCQSPOSCL-KRWDZBQOSA-N 1 2 341.455 2.430 10 30 EEEELO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCc2cccc(C(=O)OC)c2C1 ZINC000592160862 468642678 /nfs/dbraw/zinc/64/26/78/468642678.db2.gz AJVREIOPKQLZFS-OAHLLOKOSA-N 1 2 342.439 2.420 10 30 EEEELO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCc2cccc(C(=O)OC)c2C1 ZINC000592160862 468642681 /nfs/dbraw/zinc/64/26/81/468642681.db2.gz AJVREIOPKQLZFS-OAHLLOKOSA-N 1 2 342.439 2.420 10 30 EEEELO C=C[C@@H]1OCCC[C@H]1NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000570917622 468712668 /nfs/dbraw/zinc/71/26/68/468712668.db2.gz AIMPBWYOUUESKJ-CVEARBPZSA-N 1 2 330.432 2.083 10 30 EEEELO N#CCC[C@@H]([NH2+]Cc1cn(C[C@H]2CCOC2)nn1)c1ccccc1 ZINC000601114539 468747310 /nfs/dbraw/zinc/74/73/10/468747310.db2.gz QYZKUFRRNIOKTN-CRAIPNDOSA-N 1 2 325.416 2.449 10 30 EEEELO C[C@@H]1CN(CC[N@H+](C)Cc2ccc(C#N)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000593029256 468844693 /nfs/dbraw/zinc/84/46/93/468844693.db2.gz QEJFGQHKAXAHTB-OKILXGFUSA-N 1 2 332.404 2.007 10 30 EEEELO C[C@@H]1CN(CC[N@@H+](C)Cc2ccc(C#N)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000593029256 468844694 /nfs/dbraw/zinc/84/46/94/468844694.db2.gz QEJFGQHKAXAHTB-OKILXGFUSA-N 1 2 332.404 2.007 10 30 EEEELO C[C@@]1(C2CC2)C[N@@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CCO1 ZINC000595626721 468929747 /nfs/dbraw/zinc/92/97/47/468929747.db2.gz VAOMEPIMZYLWRA-HKUYNNGSSA-N 1 2 325.412 2.164 10 30 EEEELO C[C@@]1(C2CC2)C[N@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CCO1 ZINC000595626721 468929749 /nfs/dbraw/zinc/92/97/49/468929749.db2.gz VAOMEPIMZYLWRA-HKUYNNGSSA-N 1 2 325.412 2.164 10 30 EEEELO CC[N@@H+]1CCN(S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)C[C@@H]1C ZINC000593565316 469038219 /nfs/dbraw/zinc/03/82/19/469038219.db2.gz CYXXOTIMKSRNQZ-AWEZNQCLSA-N 1 2 335.473 2.202 10 30 EEEELO CC[N@H+]1CCN(S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)C[C@@H]1C ZINC000593565316 469038223 /nfs/dbraw/zinc/03/82/23/469038223.db2.gz CYXXOTIMKSRNQZ-AWEZNQCLSA-N 1 2 335.473 2.202 10 30 EEEELO C=C(C)C[C@@H]([NH2+]C[C@H](C)c1ccc(S(C)(=O)=O)cc1)C(=O)OC ZINC000602735329 469041042 /nfs/dbraw/zinc/04/10/42/469041042.db2.gz VERYMZRZFQUGHD-XJKSGUPXSA-N 1 2 339.457 2.291 10 30 EEEELO N#CC1(c2ccccn2)CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC000593684153 469094401 /nfs/dbraw/zinc/09/44/01/469094401.db2.gz OBQSAIYNEGQBFA-UHFFFAOYSA-N 1 2 349.438 2.241 10 30 EEEELO N#Cc1cc(C[N@H+]2CCCN(C(=O)c3ccccc3F)CC2)ccn1 ZINC000610991545 469132588 /nfs/dbraw/zinc/13/25/88/469132588.db2.gz PXSCNRQBTRRCFH-UHFFFAOYSA-N 1 2 338.386 2.440 10 30 EEEELO N#Cc1cc(C[N@@H+]2CCCN(C(=O)c3ccccc3F)CC2)ccn1 ZINC000610991545 469132591 /nfs/dbraw/zinc/13/25/91/469132591.db2.gz PXSCNRQBTRRCFH-UHFFFAOYSA-N 1 2 338.386 2.440 10 30 EEEELO N#Cc1ccc(NC[C@@H]2C[N@H+](Cc3ccncc3)CCO2)c(F)c1 ZINC000599182814 469152615 /nfs/dbraw/zinc/15/26/15/469152615.db2.gz CIRQGJAFRBTORO-MRXNPFEDSA-N 1 2 326.375 2.405 10 30 EEEELO N#Cc1ccc(NC[C@@H]2C[N@@H+](Cc3ccncc3)CCO2)c(F)c1 ZINC000599182814 469152618 /nfs/dbraw/zinc/15/26/18/469152618.db2.gz CIRQGJAFRBTORO-MRXNPFEDSA-N 1 2 326.375 2.405 10 30 EEEELO N#Cc1ccc(CN2CCCC[C@H]2C[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000563215738 469201574 /nfs/dbraw/zinc/20/15/74/469201574.db2.gz PTVDGIBXOXFHGH-KRWDZBQOSA-N 1 2 344.415 2.153 10 30 EEEELO CC(C)[C@H]([NH2+]C[C@@H](O)CC1(C#N)CCOCC1)C(=O)OC(C)(C)C ZINC000599359064 469226255 /nfs/dbraw/zinc/22/62/55/469226255.db2.gz OJXLVPNBFBVIFZ-GJZGRUSLSA-N 1 2 340.464 2.014 10 30 EEEELO CCC(C)(C)NC(=O)C[NH+]1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000611551166 469277638 /nfs/dbraw/zinc/27/76/38/469277638.db2.gz NXXLVNYOHWUSGD-KRWDZBQOSA-N 1 2 346.450 2.313 10 30 EEEELO N#Cc1ccc(N(CC[NH+]2CCOCC2)CC2CC2)cc1[N+](=O)[O-] ZINC000596513571 469288739 /nfs/dbraw/zinc/28/87/39/469288739.db2.gz BGGPHFKHZBGRBV-UHFFFAOYSA-N 1 2 330.388 2.015 10 30 EEEELO C[C@H](C(=O)NCC(F)(F)F)[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599686667 469338200 /nfs/dbraw/zinc/33/82/00/469338200.db2.gz UYJXCPBJXXLSAV-LLVKDONJSA-N 1 2 325.334 2.178 10 30 EEEELO C[C@H](C(=O)NCC(F)(F)F)[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599686667 469338203 /nfs/dbraw/zinc/33/82/03/469338203.db2.gz UYJXCPBJXXLSAV-LLVKDONJSA-N 1 2 325.334 2.178 10 30 EEEELO COC(=O)C1C[C@@H](C)[NH+](CC(=O)Nc2sccc2C#N)[C@H](C)C1 ZINC000599690742 469340419 /nfs/dbraw/zinc/34/04/19/469340419.db2.gz ZZKGMAPXRHHQLT-GHMZBOCLSA-N 1 2 335.429 2.220 10 30 EEEELO CCN(CC)c1ccc(CNC(=O)CC2(C#N)CCOCC2)c[nH+]1 ZINC000596819170 469369386 /nfs/dbraw/zinc/36/93/86/469369386.db2.gz NLTWQRJSYYEFRF-UHFFFAOYSA-N 1 2 330.432 2.254 10 30 EEEELO C=CCN1CC[C@H]([NH+]2CCN(Cc3cc4ccccc4[nH]3)CC2)C1=O ZINC000626075865 469495419 /nfs/dbraw/zinc/49/54/19/469495419.db2.gz XEYIJGDXQIYMGD-IBGZPJMESA-N 1 2 338.455 2.072 10 30 EEEELO C=CCN1CC[C@H](N2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)C1=O ZINC000626075865 469495426 /nfs/dbraw/zinc/49/54/26/469495426.db2.gz XEYIJGDXQIYMGD-IBGZPJMESA-N 1 2 338.455 2.072 10 30 EEEELO C=C[C@](C)(O)C(=O)N[C@@H]1CC[N@@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000613406237 469704746 /nfs/dbraw/zinc/70/47/46/469704746.db2.gz YDNJSRJFUMSMTB-KMFMINBZSA-N 1 2 342.361 2.292 10 30 EEEELO C=C[C@](C)(O)C(=O)N[C@@H]1CC[N@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000613406237 469704753 /nfs/dbraw/zinc/70/47/53/469704753.db2.gz YDNJSRJFUMSMTB-KMFMINBZSA-N 1 2 342.361 2.292 10 30 EEEELO C=CCCCCCNC(=O)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000624307220 469901366 /nfs/dbraw/zinc/90/13/66/469901366.db2.gz DASWLEUCRRKBJN-SFHVURJKSA-N 1 2 346.475 2.328 10 30 EEEELO C=CCCCCCNC(=O)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000624307220 469901372 /nfs/dbraw/zinc/90/13/72/469901372.db2.gz DASWLEUCRRKBJN-SFHVURJKSA-N 1 2 346.475 2.328 10 30 EEEELO C=CC(C)(C)CCNC(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000624468483 469945403 /nfs/dbraw/zinc/94/54/03/469945403.db2.gz NZOCCBPBCOEWSK-UHFFFAOYSA-N 1 2 332.448 2.320 10 30 EEEELO C=CC[C@@H]1CCCN(C(=O)C(=O)Nc2ccc3[nH+]c(C)cn3c2)C1 ZINC000658436895 471305268 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EEEELO C[N@@H+]1CC[C@H](NC(=O)C2(O)CCOCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000330044605 682346186 /nfs/dbraw/zinc/34/61/86/682346186.db2.gz CXGCNLQAURQXGG-GJZGRUSLSA-N 1 2 340.370 2.208 10 30 EEEELO C[N@H+]1CC[C@H](NC(=O)C2(O)CCOCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000330044605 682346190 /nfs/dbraw/zinc/34/61/90/682346190.db2.gz CXGCNLQAURQXGG-GJZGRUSLSA-N 1 2 340.370 2.208 10 30 EEEELO O=C(NCC(F)(C(F)(F)F)C(F)(F)F)[C@H]1CCn2cc[nH+]c2C1 ZINC000899094640 693600279 /nfs/dbraw/zinc/60/02/79/693600279.db2.gz UDLICHGIZFGFBI-ZETCQYMHSA-N 1 2 347.234 2.395 10 30 EEEELO C#CCCCC(=O)N[C@H]1C[N@@H+](Cc2csnc2OC)CC1(C)C ZINC001485568177 1191837979 /nfs/dbraw/zinc/83/79/79/1191837979.db2.gz UUSYQYCGJAOGRB-AWEZNQCLSA-N 1 2 335.473 2.282 10 30 EEEELO C#CCCCC(=O)N[C@H]1C[N@H+](Cc2csnc2OC)CC1(C)C ZINC001485568177 1191837980 /nfs/dbraw/zinc/83/79/80/1191837980.db2.gz UUSYQYCGJAOGRB-AWEZNQCLSA-N 1 2 335.473 2.282 10 30 EEEELO Cc1cnccc1CC(=O)NCC[N@@H+](C)Cc1cc(C#N)ccc1F ZINC001480864367 1176098577 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C=C1CC(C)(C(=O)NC[C@@H]([NH2+]Cc2nc(C(F)F)no2)C2CC2)C1 ZINC001266429204 1176524511 /nfs/dbraw/zinc/52/45/11/1176524511.db2.gz NAOKLWWAVINADV-LLVKDONJSA-N 1 2 340.374 2.348 10 30 EEEELO COCC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCCC(F)(F)F ZINC001266496237 1176641105 /nfs/dbraw/zinc/64/11/05/1176641105.db2.gz GPHDRFBYLORVKX-OKILXGFUSA-N 1 2 332.366 2.044 10 30 EEEELO COCC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCCC(F)(F)F ZINC001266496237 1176641113 /nfs/dbraw/zinc/64/11/13/1176641113.db2.gz GPHDRFBYLORVKX-OKILXGFUSA-N 1 2 332.366 2.044 10 30 EEEELO CCCc1noc(C[N@@H+]2CC[C@H](CNC(=O)C#CC(C)(C)C)C2)n1 ZINC001266514375 1176708084 /nfs/dbraw/zinc/70/80/84/1176708084.db2.gz QSKSCEKAQFPEJN-CQSZACIVSA-N 1 2 332.448 2.010 10 30 EEEELO CCCc1noc(C[N@H+]2CC[C@H](CNC(=O)C#CC(C)(C)C)C2)n1 ZINC001266514375 1176708092 /nfs/dbraw/zinc/70/80/92/1176708092.db2.gz QSKSCEKAQFPEJN-CQSZACIVSA-N 1 2 332.448 2.010 10 30 EEEELO C#CCOCCC(=O)NCCc1cn(Cc2ccc(Cl)cc2)c[nH+]1 ZINC001648894128 1176754244 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10 30 EEEELO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000884055502 1202215585 /nfs/dbraw/zinc/21/55/85/1202215585.db2.gz OLQIQKNGVHLNBZ-MFKMUULPSA-N 1 2 344.333 2.329 10 30 EEEELO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCCc1ccc(C(C)(C)C)cc1 ZINC000884069018 1202223468 /nfs/dbraw/zinc/22/34/68/1202223468.db2.gz NYLVYYGWDFJUGL-INIZCTEOSA-N 1 2 332.444 2.089 10 30 EEEELO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H](c1ccccc1)C1CCCC1 ZINC000884095451 1202231044 /nfs/dbraw/zinc/23/10/44/1202231044.db2.gz OYGZJPWXCIIJDS-WMZOPIPTSA-N 1 2 330.428 2.481 10 30 EEEELO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCCC[C@@H]1CCc1ccccc1 ZINC000884310696 1202289954 /nfs/dbraw/zinc/28/99/54/1202289954.db2.gz FJGIFQPROKOUHR-MSOLQXFVSA-N 1 2 344.455 2.447 10 30 EEEELO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(Cc1ccccc1F)CC(C)C ZINC000884427053 1202315681 /nfs/dbraw/zinc/31/56/81/1202315681.db2.gz DZORAOCNJIWYIY-INIZCTEOSA-N 1 2 336.407 2.257 10 30 EEEELO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@]1(C)Cc1ccc(C)cc1 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343.471 2.482 10 30 EEEELO C=CCN1CC[C@H]([N@H+](C)Cc2cnc(Br)c(C)c2)C1=O ZINC000930311112 1206548514 /nfs/dbraw/zinc/54/85/14/1206548514.db2.gz ZLZRWLUJNCKGJR-ZDUSSCGKSA-N 1 2 338.249 2.371 10 30 EEEELO C=CCN1CC[C@H]([N@@H+](C)Cc2cnc(Br)c(C)c2)C1=O ZINC000930311112 1206548516 /nfs/dbraw/zinc/54/85/16/1206548516.db2.gz ZLZRWLUJNCKGJR-ZDUSSCGKSA-N 1 2 338.249 2.371 10 30 EEEELO C=CC[C@H]1CC[N@H+]1CC1=C(C(=O)OCC)[C@H](c2ccco2)NC(=O)N1 ZINC000934466793 1207967993 /nfs/dbraw/zinc/96/79/93/1207967993.db2.gz NHWAWRGAWWRWDP-LRDDRELGSA-N 1 2 345.399 2.101 10 30 EEEELO C=CC[C@H]1CC[N@@H+]1CC1=C(C(=O)OCC)[C@H](c2ccco2)NC(=O)N1 ZINC000934466793 1207967995 /nfs/dbraw/zinc/96/79/95/1207967995.db2.gz NHWAWRGAWWRWDP-LRDDRELGSA-N 1 2 345.399 2.101 10 30 EEEELO CCOC(=O)[C@@]1(C(C)C)CC(=O)N(C[NH+]2CCC(C)(C#N)CC2)C1 ZINC000795442983 1212639726 /nfs/dbraw/zinc/63/97/26/1212639726.db2.gz BZKPAKQLIDINJI-SFHVURJKSA-N 1 2 335.448 2.007 10 30 EEEELO C=CCCO[C@H](C)C(=O)N[C@H](C)C1C[NH+](Cc2ccc(F)cn2)C1 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C=CCOC[C@H]([NH2+]C1CCC2(COC(C)(C)C2)CC1)C(=O)OC ZINC001659598160 1354383632 /nfs/dbraw/zinc/38/36/32/1354383632.db2.gz DNYPHKYMJISQKI-CSLYMUCUSA-N 1 2 325.449 2.448 10 30 EEEELO C=C[C@](C)(O)CC(=O)N[C@H]1CC[N@H+](Cc2nsc3ccccc23)C1 ZINC001660979915 1354568003 /nfs/dbraw/zinc/56/80/03/1354568003.db2.gz ABHZFVTVVCILJZ-UGSOOPFHSA-N 1 2 345.468 2.314 10 30 EEEELO C=C[C@](C)(O)CC(=O)N[C@H]1CC[N@@H+](Cc2nsc3ccccc23)C1 ZINC001660979915 1354568004 /nfs/dbraw/zinc/56/80/04/1354568004.db2.gz ABHZFVTVVCILJZ-UGSOOPFHSA-N 1 2 345.468 2.314 10 30 EEEELO C#Cc1ccccc1CC(=O)NC[C@@H]1CCC[N@H+](Cc2ncccn2)C1 ZINC001661747559 1354687995 /nfs/dbraw/zinc/68/79/95/1354687995.db2.gz BMHNSZXWJQQACV-KRWDZBQOSA-N 1 2 348.450 2.029 10 30 EEEELO C#Cc1ccccc1CC(=O)NC[C@@H]1CCC[N@@H+](Cc2ncccn2)C1 ZINC001661747559 1354688001 /nfs/dbraw/zinc/68/80/01/1354688001.db2.gz BMHNSZXWJQQACV-KRWDZBQOSA-N 1 2 348.450 2.029 10 30 EEEELO C=C1CC(C)(C(=O)NCC[N@@H+](C)[C@@H](C)C(=O)N(C)c2ccccc2)C1 ZINC001663271876 1354942924 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C=CCCCC(=O)NC[C@H]1CC[N@@H+]1[C@@H](C)C(=O)N1CCCCCC1 ZINC001483677255 1190736769 /nfs/dbraw/zinc/73/67/69/1190736769.db2.gz SMPJVCZIEHKQCP-DLBZAZTESA-N 1 2 335.492 2.324 10 30 EEEELO C=CCN1CC[C@H]([N@H+]2CC[C@@H]2CNC(=O)C2(C)C(C)(C)C2(C)C)C1=O ZINC001483707937 1190786795 /nfs/dbraw/zinc/78/67/95/1190786795.db2.gz PGVDMWWJNVSEAW-CABCVRRESA-N 1 2 347.503 2.036 10 30 EEEELO C=CCN1CC[C@H]([N@@H+]2CC[C@@H]2CNC(=O)C2(C)C(C)(C)C2(C)C)C1=O ZINC001483707937 1190786799 /nfs/dbraw/zinc/78/67/99/1190786799.db2.gz PGVDMWWJNVSEAW-CABCVRRESA-N 1 2 347.503 2.036 10 30 EEEELO COc1cc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)N3C(=O)C#CC(C)(C)C)on1 ZINC001483808944 1191053916 /nfs/dbraw/zinc/05/39/16/1191053916.db2.gz AVYNTRQTQQSSFC-CABCVRRESA-N 1 2 345.443 2.298 10 30 EEEELO COc1cc(C[N@H+]2CC[C@H]3CC[C@@H](C2)N3C(=O)C#CC(C)(C)C)on1 ZINC001483808944 1191053917 /nfs/dbraw/zinc/05/39/17/1191053917.db2.gz AVYNTRQTQQSSFC-CABCVRRESA-N 1 2 345.443 2.298 10 30 EEEELO C#CCCCC(=O)NCC[N@@H+](Cc1ncnn1C)C1CCCCCC1 ZINC001483815672 1191060460 /nfs/dbraw/zinc/06/04/60/1191060460.db2.gz ZYISJUQOSOSONJ-UHFFFAOYSA-N 1 2 345.491 2.260 10 30 EEEELO C#CCCCC(=O)NCC[N@H+](Cc1ncnn1C)C1CCCCCC1 ZINC001483815672 1191060462 /nfs/dbraw/zinc/06/04/62/1191060462.db2.gz ZYISJUQOSOSONJ-UHFFFAOYSA-N 1 2 345.491 2.260 10 30 EEEELO C=CCOCC(=O)N(C)C1C[NH+](CCOc2cc(C)ccc2C)C1 ZINC001483856715 1191094475 /nfs/dbraw/zinc/09/44/75/1191094475.db2.gz KSXNWVZFQUPGTQ-UHFFFAOYSA-N 1 2 332.444 2.027 10 30 EEEELO C=C[C@@](C)(CC)C(=O)N(C)C1C[NH+](CCOC[C@H]2CCCCO2)C1 ZINC001483877272 1191104360 /nfs/dbraw/zinc/10/43/60/1191104360.db2.gz ORKBMJWNSXLJFK-MJGOQNOKSA-N 1 2 338.492 2.317 10 30 EEEELO C=CCCC(=O)NC1(C)CC[NH+](Cc2nc(CC3CC3)no2)CC1 ZINC001483961684 1191132355 /nfs/dbraw/zinc/13/23/55/1191132355.db2.gz ACDIDDYSAUSVDY-UHFFFAOYSA-N 1 2 332.448 2.459 10 30 EEEELO CC(C)c1ocnc1C[N@@H+]1CC[C@@](C)(NC(=O)CSCC#N)C1 ZINC001484033104 1191170038 /nfs/dbraw/zinc/17/00/38/1191170038.db2.gz MNHRLXXFIREFNH-MRXNPFEDSA-N 1 2 336.461 2.135 10 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C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)CCc1cccnc1 ZINC001484824050 1191541962 /nfs/dbraw/zinc/54/19/62/1191541962.db2.gz NREKFGKRIQKWAR-HXUWFJFHSA-N 1 2 333.435 2.191 10 30 EEEELO C[C@H](CNC(=O)c1ccc(F)cn1)[N@H+](C)Cc1cc(F)ccc1C#N ZINC001485292810 1191722515 /nfs/dbraw/zinc/72/25/15/1191722515.db2.gz JXPZDFFWNDIBED-GFCCVEGCSA-N 1 2 344.365 2.482 10 30 EEEELO C[C@H](CNC(=O)c1ccc(F)cn1)[N@@H+](C)Cc1cc(F)ccc1C#N ZINC001485292810 1191722517 /nfs/dbraw/zinc/72/25/17/1191722517.db2.gz JXPZDFFWNDIBED-GFCCVEGCSA-N 1 2 344.365 2.482 10 30 EEEELO C=C(C)C[NH+]1CC(CCO)(NC(=O)C2(c3ccccc3F)CCC2)C1 ZINC001485421584 1191781835 /nfs/dbraw/zinc/78/18/35/1191781835.db2.gz BZFCJTYLCHWSCT-UHFFFAOYSA-N 1 2 346.446 2.377 10 30 EEEELO CCO[C@@H](C)C(=O)N[C@@H](C)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001485489018 1191810578 /nfs/dbraw/zinc/81/05/78/1191810578.db2.gz ASWPQKZZZKUXDT-STQMWFEESA-N 1 2 333.407 2.059 10 30 EEEELO CC[C@@H](C)CC(=O)N(C)C[C@H](O)C[N@H+](C)Cc1cc(F)ccc1C#N ZINC001486330103 1193825048 /nfs/dbraw/zinc/82/50/48/1193825048.db2.gz ISCKCCCCGCMMQY-RDTXWAMCSA-N 1 2 349.450 2.385 10 30 EEEELO CC[C@@H](C)CC(=O)N(C)C[C@H](O)C[N@@H+](C)Cc1cc(F)ccc1C#N ZINC001486330103 1193825057 /nfs/dbraw/zinc/82/50/57/1193825057.db2.gz ISCKCCCCGCMMQY-RDTXWAMCSA-N 1 2 349.450 2.385 10 30 EEEELO C[C@@H]1[C@@H](NC(=O)C#CC2CC2)CC[N@@H+]1Cc1nc2ccccc2n1C ZINC001691669082 1194337330 /nfs/dbraw/zinc/33/73/30/1194337330.db2.gz PEAZXLNHYPUQOM-ZBFHGGJFSA-N 1 2 336.439 2.066 10 30 EEEELO C[C@@H]1[C@@H](NC(=O)C#CC2CC2)CC[N@H+]1Cc1nc2ccccc2n1C ZINC001691669082 1194337334 /nfs/dbraw/zinc/33/73/34/1194337334.db2.gz PEAZXLNHYPUQOM-ZBFHGGJFSA-N 1 2 336.439 2.066 10 30 EEEELO C=C(C)CCC(=O)N[C@H]1CC[N@H+](CC(=O)NCc2cccs2)[C@@H]1C ZINC001691680124 1197483600 /nfs/dbraw/zinc/48/36/00/1197483600.db2.gz GGZYRINEZFVVOE-ZBFHGGJFSA-N 1 2 349.500 2.300 10 30 EEEELO C=C(C)CCC(=O)N[C@H]1CC[N@@H+](CC(=O)NCc2cccs2)[C@@H]1C ZINC001691680124 1197483602 /nfs/dbraw/zinc/48/36/02/1197483602.db2.gz GGZYRINEZFVVOE-ZBFHGGJFSA-N 1 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C=C[C@@](C)(O)CC(=O)NC[C@H]1CC[N@@H+]1CCc1c(F)cccc1F ZINC001276835580 1299830443 /nfs/dbraw/zinc/83/04/43/1299830443.db2.gz RGZONMDLJIZTJR-FZKQIMNGSA-N 1 2 338.398 2.025 10 30 EEEELO C=C[C@@](C)(O)CC(=O)NC[C@H]1CC[N@H+]1CCc1c(F)cccc1F ZINC001276835580 1299830449 /nfs/dbraw/zinc/83/04/49/1299830449.db2.gz RGZONMDLJIZTJR-FZKQIMNGSA-N 1 2 338.398 2.025 10 30 EEEELO C=C1CCC(C(=O)NCCOCC[N@@H+](C)Cc2ncc(C)o2)CC1 ZINC001277520594 1303803671 /nfs/dbraw/zinc/80/36/71/1303803671.db2.gz INHRQAHQRFGBEU-UHFFFAOYSA-N 1 2 335.448 2.294 10 30 EEEELO C=C1CCC(C(=O)NCCOCC[N@H+](C)Cc2ncc(C)o2)CC1 ZINC001277520594 1303803675 /nfs/dbraw/zinc/80/36/75/1303803675.db2.gz INHRQAHQRFGBEU-UHFFFAOYSA-N 1 2 335.448 2.294 10 30 EEEELO C=CCOCC[NH+]1CC(N(C)C(=O)[C@H]2C[C@@]23CCc2ccccc23)C1 ZINC001277675299 1304156815 /nfs/dbraw/zinc/15/68/15/1304156815.db2.gz DCIWPKOPUWWJSS-TZIWHRDSSA-N 1 2 340.467 2.236 10 30 EEEELO C#CCN(C(=O)Cc1ccco1)C1CC[NH+](Cc2cc(C)on2)CC1 ZINC001278188878 1306226612 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C=CCCC(=O)N[C@@]1(C)CC[N@@H+](CC(=O)Nc2ccc(F)cc2)C1 ZINC001278368501 1309842618 /nfs/dbraw/zinc/84/26/18/1309842618.db2.gz BJQVDYWNKUFFBA-SFHVURJKSA-N 1 2 333.407 2.311 10 30 EEEELO C#CCO[C@H](C)C(=O)N[C@@]1(C)CC[N@H+](Cc2cccc(F)c2F)C1 ZINC001278388027 1309982046 /nfs/dbraw/zinc/98/20/46/1309982046.db2.gz HUUKIDXKUOWSRE-ACJLOTCBSA-N 1 2 336.382 2.084 10 30 EEEELO C#CCO[C@H](C)C(=O)N[C@@]1(C)CC[N@@H+](Cc2cccc(F)c2F)C1 ZINC001278388027 1309982053 /nfs/dbraw/zinc/98/20/53/1309982053.db2.gz HUUKIDXKUOWSRE-ACJLOTCBSA-N 1 2 336.382 2.084 10 30 EEEELO Cc1nc(C[N@H+]2CCC[C@@H](NC(=O)CSCC#N)[C@@H]2C)c(C)o1 ZINC001278499756 1310841579 /nfs/dbraw/zinc/84/15/79/1310841579.db2.gz GDEKBKWNSPSMFW-SMDDNHRTSA-N 1 2 336.461 2.017 10 30 EEEELO Cc1nc(C[N@@H+]2CCC[C@@H](NC(=O)CSCC#N)[C@@H]2C)c(C)o1 ZINC001278499756 1310841593 /nfs/dbraw/zinc/84/15/93/1310841593.db2.gz GDEKBKWNSPSMFW-SMDDNHRTSA-N 1 2 336.461 2.017 10 30 EEEELO C[C@@H]1[C@@H](NC(=O)C#CC2CC2)CCC[N@@H+]1Cc1noc2c1CCCC2 ZINC001278510810 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/nfs/dbraw/zinc/20/37/67/1290203767.db2.gz VYGHBNFXHQEGOJ-KGLIPLIRSA-N 1 2 346.475 2.407 10 30 EEEELO COCC(C)(C)C(=O)N[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001490551372 1291447103 /nfs/dbraw/zinc/44/71/03/1291447103.db2.gz SRBQHODPHLULJK-QGZVFWFLSA-N 1 2 332.419 2.040 10 30 EEEELO COCC(C)(C)C(=O)N[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001490551372 1291447105 /nfs/dbraw/zinc/44/71/05/1291447105.db2.gz SRBQHODPHLULJK-QGZVFWFLSA-N 1 2 332.419 2.040 10 30 EEEELO C=CCC1(C(=O)N[C@H]2CC23CC[NH+](Cc2nncn2C)CC3)CCC1 ZINC001490597898 1291499562 /nfs/dbraw/zinc/49/95/62/1291499562.db2.gz BCDCEAUHHYPAAF-HNNXBMFYSA-N 1 2 343.475 2.032 10 30 EEEELO CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857976624 1293974922 /nfs/dbraw/zinc/97/49/22/1293974922.db2.gz IIWFGQUZWJMXRO-OLZOCXBDSA-N 1 2 347.419 2.031 10 30 EEEELO COCC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(OC2CCC2)cc1 ZINC001276977510 1300630939 /nfs/dbraw/zinc/63/09/39/1300630939.db2.gz IJNYOYNYXCDHIW-KRWDZBQOSA-N 1 2 342.439 2.072 10 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ZINC001277637441 1304055931 /nfs/dbraw/zinc/05/59/31/1304055931.db2.gz WRKCMSUWQHNXBM-SFHVURJKSA-N 1 2 348.462 2.474 10 30 EEEELO C=CC(C)(C)C(=O)N(C)C[C@H](C)[NH2+]Cc1nc(CC(F)(F)F)no1 ZINC001277906979 1305049240 /nfs/dbraw/zinc/04/92/40/1305049240.db2.gz HNDJBNPJHMJULL-JTQLQIEISA-N 1 2 348.369 2.323 10 30 EEEELO C#CCN(Cc1ncc(C)o1)C1CC[NH+](Cc2ncc(C)o2)CC1 ZINC001119265937 1309035609 /nfs/dbraw/zinc/03/56/09/1309035609.db2.gz KFBNSNKZALDQBZ-UHFFFAOYSA-N 1 2 328.416 2.379 10 30 EEEELO Cc1nc(C[N@H+]2CCC[C@H](NC(=O)CSCC#N)[C@@H]2C)c(C)o1 ZINC001278499754 1310842997 /nfs/dbraw/zinc/84/29/97/1310842997.db2.gz GDEKBKWNSPSMFW-FZMZJTMJSA-N 1 2 336.461 2.017 10 30 EEEELO Cc1nc(C[N@@H+]2CCC[C@H](NC(=O)CSCC#N)[C@@H]2C)c(C)o1 ZINC001278499754 1310843009 /nfs/dbraw/zinc/84/30/09/1310843009.db2.gz GDEKBKWNSPSMFW-FZMZJTMJSA-N 1 2 336.461 2.017 10 30 EEEELO C=CCCCC(=O)N[C@@H]1CCC[N@H+](CC(=O)NCc2ccco2)[C@H]1C ZINC001278521188 1317130337 /nfs/dbraw/zinc/13/03/37/1317130337.db2.gz MHLFKFMTXLLOPB-DOTOQJQBSA-N 1 2 347.459 2.221 10 30 EEEELO C=CCCCC(=O)N[C@@H]1CCC[N@@H+](CC(=O)NCc2ccco2)[C@H]1C ZINC001278521188 1317130341 /nfs/dbraw/zinc/13/03/41/1317130341.db2.gz MHLFKFMTXLLOPB-DOTOQJQBSA-N 1 2 347.459 2.221 10 30 EEEELO C#CCNC(=O)C[N@@H+](C)CCN(C(=O)[C@@H]1CCCC[C@H]1CC)C(C)C ZINC001278926782 1318705816 /nfs/dbraw/zinc/70/58/16/1318705816.db2.gz YTBFPELGHBEFPL-QZTJIDSGSA-N 1 2 349.519 2.121 10 30 EEEELO C#CCNC(=O)C[N@H+](C)CCN(C(=O)[C@@H]1CCCC[C@H]1CC)C(C)C ZINC001278926782 1318705824 /nfs/dbraw/zinc/70/58/24/1318705824.db2.gz YTBFPELGHBEFPL-QZTJIDSGSA-N 1 2 349.519 2.121 10 30 EEEELO CCn1ncc(C[NH+]2CCC([C@@H](C)NC(=O)C#CC(C)(C)C)CC2)n1 ZINC001279079176 1319194242 /nfs/dbraw/zinc/19/42/42/1319194242.db2.gz GTHGBYVUIOBJDY-OAHLLOKOSA-N 1 2 345.491 2.064 10 30 EEEELO C=CCCCC(=O)N1CCC[C@H](NC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001293896817 1328835445 /nfs/dbraw/zinc/83/54/45/1328835445.db2.gz WIVSRKJSXWADJS-INIZCTEOSA-N 1 2 345.443 2.096 10 30 EEEELO C=CC(C)(C)C(=O)N[C@H](C)[C@@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001294364583 1328990958 /nfs/dbraw/zinc/99/09/58/1328990958.db2.gz SROWYVYQOVFKEZ-ZBFHGGJFSA-N 1 2 346.475 2.440 10 30 EEEELO C=CC(C)(C)C(=O)N[C@H](C)[C@@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001294364583 1328990963 /nfs/dbraw/zinc/99/09/63/1328990963.db2.gz SROWYVYQOVFKEZ-ZBFHGGJFSA-N 1 2 346.475 2.440 10 30 EEEELO C=CCn1c([C@@H]2C[C@@H](O)C[N@@H+]2C)nnc1N1CCC[C@H](CCC)C1 ZINC001262946930 1322401838 /nfs/dbraw/zinc/40/18/38/1322401838.db2.gz AOUIZNOTKHSTFF-XHSDSOJGSA-N 1 2 333.480 2.218 10 30 EEEELO C=CCn1c([C@@H]2C[C@@H](O)C[N@H+]2C)nnc1N1CCC[C@H](CCC)C1 ZINC001262946930 1322401841 /nfs/dbraw/zinc/40/18/41/1322401841.db2.gz AOUIZNOTKHSTFF-XHSDSOJGSA-N 1 2 333.480 2.218 10 30 EEEELO C#CCCCC(=O)N1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2[N@@H+](Cc2csnn2)C1 ZINC001264034014 1322593836 /nfs/dbraw/zinc/59/38/36/1322593836.db2.gz XEXZDVFTKFDJRV-HJWJTTGWSA-N 1 2 344.484 2.010 10 30 EEEELO C#CCCCC(=O)N1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2[N@H+](Cc2csnn2)C1 ZINC001264034014 1322593842 /nfs/dbraw/zinc/59/38/42/1322593842.db2.gz XEXZDVFTKFDJRV-HJWJTTGWSA-N 1 2 344.484 2.010 10 30 EEEELO C=CCCCC(=O)N[C@H]1CC[N@H+](Cc2nn(CC)nc2C)[C@@H]1CC ZINC001264617680 1322752398 /nfs/dbraw/zinc/75/23/98/1322752398.db2.gz XYYXXEDIXRBATP-DOTOQJQBSA-N 1 2 333.480 2.432 10 30 EEEELO C=CCCCC(=O)N[C@H]1CC[N@@H+](Cc2nn(CC)nc2C)[C@@H]1CC ZINC001264617680 1322752403 /nfs/dbraw/zinc/75/24/03/1322752403.db2.gz XYYXXEDIXRBATP-DOTOQJQBSA-N 1 2 333.480 2.432 10 30 EEEELO C=CCCCC(=O)N1C[C@@H]2C[N@H+](Cc3ncnn3CCC)CC[C@@H]2C1 ZINC001264650280 1322766802 /nfs/dbraw/zinc/76/68/02/1322766802.db2.gz KYJQVYHZNIPVDK-SJORKVTESA-N 1 2 345.491 2.325 10 30 EEEELO C=CCCCC(=O)N1C[C@@H]2C[N@@H+](Cc3ncnn3CCC)CC[C@@H]2C1 ZINC001264650280 1322766804 /nfs/dbraw/zinc/76/68/04/1322766804.db2.gz KYJQVYHZNIPVDK-SJORKVTESA-N 1 2 345.491 2.325 10 30 EEEELO C=CCOCC[NH+]1CCC(N(C)C(=O)[C@H](F)C(F)(F)F)CC1 ZINC001265192005 1322977794 /nfs/dbraw/zinc/97/77/94/1322977794.db2.gz MAVDDZHRKDBRBC-LBPRGKRZSA-N 1 2 326.334 2.012 10 30 EEEELO C=CCOCC[NH+]1CCC(N(C)C(=O)C(F)C(F)(F)F)CC1 ZINC001265192005 1322977790 /nfs/dbraw/zinc/97/77/90/1322977790.db2.gz MAVDDZHRKDBRBC-LBPRGKRZSA-N 1 2 326.334 2.012 10 30 EEEELO C#CCO[C@@H](C)C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC001265212793 1322986698 /nfs/dbraw/zinc/98/66/98/1322986698.db2.gz FYXUAIAYDMZCPY-DZGCQCFKSA-N 1 2 336.382 2.084 10 30 EEEELO C#CCO[C@@H](C)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2)C1 ZINC001265212793 1322986700 /nfs/dbraw/zinc/98/67/00/1322986700.db2.gz FYXUAIAYDMZCPY-DZGCQCFKSA-N 1 2 336.382 2.084 10 30 EEEELO C=CCCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NCc2cccc(Cl)c2)C1 ZINC001265276073 1323027883 /nfs/dbraw/zinc/02/78/83/1323027883.db2.gz YKJUCMOCSVIZLP-MRXNPFEDSA-N 1 2 349.862 2.113 10 30 EEEELO C=CCCC(=O)N[C@@H]1CC[N@H+](CC(=O)NCc2cccc(Cl)c2)C1 ZINC001265276073 1323027904 /nfs/dbraw/zinc/02/79/04/1323027904.db2.gz YKJUCMOCSVIZLP-MRXNPFEDSA-N 1 2 349.862 2.113 10 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EEEELO COc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)CSCC#N)cc1 ZINC001317042775 1332056955 /nfs/dbraw/zinc/05/69/55/1332056955.db2.gz JSNBGZBPNKQJMV-IYBDPMFKSA-N 1 2 345.468 2.127 10 30 EEEELO COc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)CSCC#N)cc1 ZINC001317042775 1332056957 /nfs/dbraw/zinc/05/69/57/1332056957.db2.gz JSNBGZBPNKQJMV-IYBDPMFKSA-N 1 2 345.468 2.127 10 30 EEEELO C=CC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)C3(CCC)CC3)C2)CC1 ZINC001317050733 1332060909 /nfs/dbraw/zinc/06/09/09/1332060909.db2.gz XTYBWZOAYLJWLV-QGZVFWFLSA-N 1 2 347.503 2.136 10 30 EEEELO C#Cc1cccc(NC(=O)C[N@@H+](C)CCNC(=O)C2(CC)CCC2)c1 ZINC001317457127 1332251090 /nfs/dbraw/zinc/25/10/90/1332251090.db2.gz NGAYQBCNTHVEDD-UHFFFAOYSA-N 1 2 341.455 2.235 10 30 EEEELO C#Cc1cccc(NC(=O)C[N@H+](C)CCNC(=O)C2(CC)CCC2)c1 ZINC001317457127 1332251091 /nfs/dbraw/zinc/25/10/91/1332251091.db2.gz NGAYQBCNTHVEDD-UHFFFAOYSA-N 1 2 341.455 2.235 10 30 EEEELO C#Cc1cccc(NC(=O)C[N@@H+](C)CCNC(=O)C2(CCC)CC2)c1 ZINC001317459899 1332252073 /nfs/dbraw/zinc/25/20/73/1332252073.db2.gz ONAUDBLVNCCDHM-UHFFFAOYSA-N 1 2 341.455 2.235 10 30 EEEELO C#Cc1cccc(NC(=O)C[N@H+](C)CCNC(=O)C2(CCC)CC2)c1 ZINC001317459899 1332252075 /nfs/dbraw/zinc/25/20/75/1332252075.db2.gz ONAUDBLVNCCDHM-UHFFFAOYSA-N 1 2 341.455 2.235 10 30 EEEELO C=CCCC(=O)NC[C@H]([NH2+][C@@H](C)c1nncn1C)c1ccccc1 ZINC001317714436 1332385439 /nfs/dbraw/zinc/38/54/39/1332385439.db2.gz FGEZLOLNIQAYSW-HOCLYGCPSA-N 1 2 327.432 2.289 10 30 EEEELO C#CCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)C(=O)NC(C)(C)CC ZINC001317734222 1332392755 /nfs/dbraw/zinc/39/27/55/1332392755.db2.gz HDKDNNYOVUIVFP-YESZJQIVSA-N 1 2 347.503 2.158 10 30 EEEELO C#CCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)C(=O)NC(C)(C)CC ZINC001317734222 1332392756 /nfs/dbraw/zinc/39/27/56/1332392756.db2.gz HDKDNNYOVUIVFP-YESZJQIVSA-N 1 2 347.503 2.158 10 30 EEEELO C=C(C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N1CCCCC1 ZINC001317734747 1332392791 /nfs/dbraw/zinc/39/27/91/1332392791.db2.gz KWGHWSWBQSQZDK-CALCHBBNSA-N 1 2 333.476 2.030 10 30 EEEELO C=C(C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N1CCCCC1 ZINC001317734747 1332392792 /nfs/dbraw/zinc/39/27/92/1332392792.db2.gz KWGHWSWBQSQZDK-CALCHBBNSA-N 1 2 333.476 2.030 10 30 EEEELO C=CCCOCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001317955110 1332450575 /nfs/dbraw/zinc/45/05/75/1332450575.db2.gz DWDPQVKXQZQKBC-QGZVFWFLSA-N 1 2 345.418 2.371 10 30 EEEELO C=CCCOCC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001317955110 1332450578 /nfs/dbraw/zinc/45/05/78/1332450578.db2.gz DWDPQVKXQZQKBC-QGZVFWFLSA-N 1 2 345.418 2.371 10 30 EEEELO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](NC(=O)c2c(C)oc(C)c2C)C1 ZINC001317975748 1332455133 /nfs/dbraw/zinc/45/51/33/1332455133.db2.gz RLCXLDPTAUVDDA-BBRMVZONSA-N 1 2 347.459 2.090 10 30 EEEELO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](NC(=O)c2c(C)oc(C)c2C)C1 ZINC001317975748 1332455135 /nfs/dbraw/zinc/45/51/35/1332455135.db2.gz RLCXLDPTAUVDDA-BBRMVZONSA-N 1 2 347.459 2.090 10 30 EEEELO C=C(C)C[C@@H](NC(C)=O)C(=O)NC1C[NH+]([C@H](C)c2ccccc2)C1 ZINC001318069329 1332467137 /nfs/dbraw/zinc/46/71/37/1332467137.db2.gz HWXBDRJSYZSAAF-RDTXWAMCSA-N 1 2 329.444 2.019 10 30 EEEELO CCCCO[C@H](C)C(=O)NCC1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001318105588 1332472521 /nfs/dbraw/zinc/47/25/21/1332472521.db2.gz AREILVFPMJBPPJ-CQSZACIVSA-N 1 2 347.434 2.451 10 30 EEEELO C=C[C@@](C)(O)CC(=O)NCC1C[NH+]([C@H](C)c2nc3ccccc3o2)C1 ZINC001318117844 1332473836 /nfs/dbraw/zinc/47/38/36/1332473836.db2.gz LBVIBHGCAYPYGM-BFUOFWGJSA-N 1 2 343.427 2.264 10 30 EEEELO C#CCCCCCC(=O)NCC1C[NH+]([C@@H](C)c2cnc(C)cn2)C1 ZINC001318140503 1332477908 /nfs/dbraw/zinc/47/79/08/1332477908.db2.gz SPVLVLDVLQUXEJ-INIZCTEOSA-N 1 2 328.460 2.478 10 30 EEEELO C=C(C)[C@@H](CC(=O)N(C)[C@@H]1CC[N@H+](Cc2ncc(C)o2)C1)OCC ZINC001318407038 1332527087 /nfs/dbraw/zinc/52/70/87/1332527087.db2.gz MCMKCKUSHQFXRO-HZPDHXFCSA-N 1 2 335.448 2.387 10 30 EEEELO C=C(C)[C@@H](CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ncc(C)o2)C1)OCC ZINC001318407038 1332527090 /nfs/dbraw/zinc/52/70/90/1332527090.db2.gz MCMKCKUSHQFXRO-HZPDHXFCSA-N 1 2 335.448 2.387 10 30 EEEELO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)COC/C=C\c2ccccc2)C1 ZINC001319309266 1332680771 /nfs/dbraw/zinc/68/07/71/1332680771.db2.gz PYCAVHNRIQRBSG-QBUQCISBSA-N 1 2 344.455 2.110 10 30 EEEELO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)COC/C=C\c2ccccc2)C1 ZINC001319309266 1332680773 /nfs/dbraw/zinc/68/07/73/1332680773.db2.gz PYCAVHNRIQRBSG-QBUQCISBSA-N 1 2 344.455 2.110 10 30 EEEELO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)COc2ccc(CC)cc2)C1 ZINC001319333438 1332686727 /nfs/dbraw/zinc/68/67/27/1332686727.db2.gz REKOWZWXAORWDF-SFHVURJKSA-N 1 2 332.444 2.021 10 30 EEEELO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)COc2ccc(CC)cc2)C1 ZINC001319333438 1332686734 /nfs/dbraw/zinc/68/67/34/1332686734.db2.gz REKOWZWXAORWDF-SFHVURJKSA-N 1 2 332.444 2.021 10 30 EEEELO CC(C)C#CC(=O)NC[C@H]([NH2+]Cc1noc(C(C)(C)C)n1)C(C)C ZINC001319912319 1332796407 /nfs/dbraw/zinc/79/64/07/1332796407.db2.gz XNFLHQPEGYIVKL-AWEZNQCLSA-N 1 2 334.464 2.257 10 30 EEEELO C#CCC1(C(=O)N(CC)CC[NH2+]Cc2cnsn2)CCCCC1 ZINC001320928448 1332980885 /nfs/dbraw/zinc/98/08/85/1332980885.db2.gz AVXNPVFUPZBGBQ-UHFFFAOYSA-N 1 2 334.489 2.450 10 30 EEEELO CCc1noc([C@@H](C)[NH2+]C[C@@H](C)NC(=O)CC#Cc2ccccc2)n1 ZINC001321749441 1333152241 /nfs/dbraw/zinc/15/22/41/1333152241.db2.gz FJOJLKYCHBPJJW-HUUCEWRRSA-N 1 2 340.427 2.229 10 30 EEEELO C#CCOCCC(=O)N[C@@H](C)C[N@H+](C)Cc1c(F)cccc1Cl ZINC001322156357 1333219085 /nfs/dbraw/zinc/21/90/85/1333219085.db2.gz JUXLQIZYXBBWHF-ZDUSSCGKSA-N 1 2 340.826 2.456 10 30 EEEELO C#CCOCCC(=O)N[C@@H](C)C[N@@H+](C)Cc1c(F)cccc1Cl ZINC001322156357 1333219087 /nfs/dbraw/zinc/21/90/87/1333219087.db2.gz JUXLQIZYXBBWHF-ZDUSSCGKSA-N 1 2 340.826 2.456 10 30 EEEELO C=CCCC(=O)NC[C@@H]1CC[N@H+]1[C@@H](C)C(=O)NCC1CCCCC1 ZINC001323199867 1333410137 /nfs/dbraw/zinc/41/01/37/1333410137.db2.gz SPUBVUJUSGALCD-RDJZCZTQSA-N 1 2 335.492 2.228 10 30 EEEELO C=CCCC(=O)NC[C@@H]1CC[N@@H+]1[C@@H](C)C(=O)NCC1CCCCC1 ZINC001323199867 1333410141 /nfs/dbraw/zinc/41/01/41/1333410141.db2.gz SPUBVUJUSGALCD-RDJZCZTQSA-N 1 2 335.492 2.228 10 30 EEEELO C=C[C@](C)(CC)C(=O)NC[C@H]1CC[N@@H+]1CC(=O)N1CCC(C)CC1 ZINC001323301840 1333435556 /nfs/dbraw/zinc/43/55/56/1333435556.db2.gz LKQBQSAUXREZOR-VQIMIIECSA-N 1 2 335.492 2.038 10 30 EEEELO C=C[C@](C)(CC)C(=O)NC[C@H]1CC[N@H+]1CC(=O)N1CCC(C)CC1 ZINC001323301840 1333435568 /nfs/dbraw/zinc/43/55/68/1333435568.db2.gz LKQBQSAUXREZOR-VQIMIIECSA-N 1 2 335.492 2.038 10 30 EEEELO C=CCO[C@H]1CCN(c2nc(N3CC[C@H](OCC=C)C3)c(C)c[nH+]2)C1 ZINC001323719411 1333523352 /nfs/dbraw/zinc/52/33/52/1333523352.db2.gz WMVMGIRCOZQYJD-IRXDYDNUSA-N 1 2 344.459 2.348 10 30 EEEELO C[C@@H](Oc1cccnc1)C(=O)N1CCC([N@H+](CC#N)CC2CC2)CC1 ZINC001323733501 1333526689 /nfs/dbraw/zinc/52/66/89/1333526689.db2.gz IGBDBENSTCMLCI-OAHLLOKOSA-N 1 2 342.443 2.075 10 30 EEEELO C[C@@H](Oc1cccnc1)C(=O)N1CCC([N@@H+](CC#N)CC2CC2)CC1 ZINC001323733501 1333526692 /nfs/dbraw/zinc/52/66/92/1333526692.db2.gz IGBDBENSTCMLCI-OAHLLOKOSA-N 1 2 342.443 2.075 10 30 EEEELO C#CCN(C(=O)C1CC(C)C1)C1CC[NH+](Cc2ncc(C)o2)CC1 ZINC001324384661 1333671519 /nfs/dbraw/zinc/67/15/19/1333671519.db2.gz NNZGKOMNBUWITG-UHFFFAOYSA-N 1 2 329.444 2.455 10 30 EEEELO CCCc1noc(C[NH+]2CCC(C)(CNC(=O)C#CC3CC3)CC2)n1 ZINC001324864925 1333776670 /nfs/dbraw/zinc/77/66/70/1333776670.db2.gz XGXNGSNJKRYVJO-UHFFFAOYSA-N 1 2 344.459 2.154 10 30 EEEELO CCc1ccccc1[C@H](CNC(=O)C[C@@H](C)n1cc[nH+]c1)NCC#N ZINC001325365225 1333873198 /nfs/dbraw/zinc/87/31/98/1333873198.db2.gz HKZCMKGPGLHILD-QAPCUYQASA-N 1 2 339.443 2.367 10 30 EEEELO C=C1CC(C)(C(=O)NC[C@@H]2COCC[N@@H+]2CCc2ccccc2)C1 ZINC001326655986 1334135063 /nfs/dbraw/zinc/13/50/63/1334135063.db2.gz QWXVPIBOWWKATI-GOSISDBHSA-N 1 2 328.456 2.402 10 30 EEEELO C=C1CC(C)(C(=O)NC[C@@H]2COCC[N@H+]2CCc2ccccc2)C1 ZINC001326655986 1334135065 /nfs/dbraw/zinc/13/50/65/1334135065.db2.gz QWXVPIBOWWKATI-GOSISDBHSA-N 1 2 328.456 2.402 10 30 EEEELO C#CCCCC(=O)N[C@H]1COC2(C[NH+](Cc3cccc(C)c3)C2)C1 ZINC001327387691 1334282717 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EEEELO C#Cc1cncc(C(=O)NC[C@H](C)[N@H+](C)CC=C(Cl)Cl)c1 ZINC001329541243 1334670866 /nfs/dbraw/zinc/67/08/66/1334670866.db2.gz OQVFIFFMPDRXPL-NSHDSACASA-N 1 2 326.227 2.432 10 30 EEEELO C#Cc1cncc(C(=O)NC[C@H](C)[N@@H+](C)CC=C(Cl)Cl)c1 ZINC001329541243 1334670867 /nfs/dbraw/zinc/67/08/67/1334670867.db2.gz OQVFIFFMPDRXPL-NSHDSACASA-N 1 2 326.227 2.432 10 30 EEEELO C=C1CCC(C(=O)N[C@H](C)C2C[NH+](CC(=O)N[C@@H](C)CCC)C2)CC1 ZINC001330049579 1334768623 /nfs/dbraw/zinc/76/86/23/1334768623.db2.gz VKTJTZCJWKXWRL-JKSUJKDBSA-N 1 2 349.519 2.474 10 30 EEEELO C=C1CC(C)(C(=O)NCCOCC[N@@H+](C)[C@@H](C)c2ncc(C)o2)C1 ZINC001331149578 1334971989 /nfs/dbraw/zinc/97/19/89/1334971989.db2.gz KSPIYEVRGLGYSC-HNNXBMFYSA-N 1 2 335.448 2.465 10 30 EEEELO C=C1CC(C)(C(=O)NCCOCC[N@H+](C)[C@@H](C)c2ncc(C)o2)C1 ZINC001331149578 1334971990 /nfs/dbraw/zinc/97/19/90/1334971990.db2.gz KSPIYEVRGLGYSC-HNNXBMFYSA-N 1 2 335.448 2.465 10 30 EEEELO CN(C(=O)c1cc(C#N)c[nH]1)[C@H](C[NH2+]CC(F)(F)C(F)F)C1CC1 ZINC001331271833 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CN(CC[N@@H+](C)Cc1cc(F)ccc1C#N)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001482629104 1187454184 /nfs/dbraw/zinc/45/41/84/1187454184.db2.gz RAKCABGNNFRLHC-KURKYZTESA-N 1 2 345.418 2.155 10 30 EEEELO C=CCCC(=O)NC1(CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001299201394 1187561803 /nfs/dbraw/zinc/56/18/03/1187561803.db2.gz ISFFEAZQNHLJDF-UHFFFAOYSA-N 1 2 338.411 2.217 10 30 EEEELO C=C(C)CCC(=O)NC[C@H](CC)NC(=O)c1cccc2[nH+]ccn21 ZINC001746158842 1187565695 /nfs/dbraw/zinc/56/56/95/1187565695.db2.gz YUUUKUXNCBWAQL-AWEZNQCLSA-N 1 2 328.416 2.315 10 30 EEEELO CC(C)C[C@@H](C(=O)N1CC[C@@]2(C1)CCCN(CC#N)C2)n1cc[nH+]c1 ZINC001671038640 1193550762 /nfs/dbraw/zinc/55/07/62/1193550762.db2.gz FSUQJSZVRQXEDE-HKUYNNGSSA-N 1 2 343.475 2.308 10 30 EEEELO C=CCCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cccnc1OC(C)C ZINC001272909775 1193600605 /nfs/dbraw/zinc/60/06/05/1193600605.db2.gz RSPHWPDSMBGHGV-INIZCTEOSA-N 1 2 347.459 2.266 10 30 EEEELO C=CCCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cccnc1OC(C)C ZINC001272909775 1193600606 /nfs/dbraw/zinc/60/06/06/1193600606.db2.gz RSPHWPDSMBGHGV-INIZCTEOSA-N 1 2 347.459 2.266 10 30 EEEELO C[C@@H](C[N@H+](C)Cc1cc(F)ccc1C#N)NC(=O)[C@]1(C)CCOC1 ZINC001483401730 1190448386 /nfs/dbraw/zinc/44/83/86/1190448386.db2.gz SLAUCIWTOKCVRU-SCLBCKFNSA-N 1 2 333.407 2.060 10 30 EEEELO C[C@@H](C[N@@H+](C)Cc1cc(F)ccc1C#N)NC(=O)[C@]1(C)CCOC1 ZINC001483401730 1190448388 /nfs/dbraw/zinc/44/83/88/1190448388.db2.gz SLAUCIWTOKCVRU-SCLBCKFNSA-N 1 2 333.407 2.060 10 30 EEEELO Cc1cc(C)c(C(=O)NCC2(NC(=O)C#CC(C)(C)C)CC2)c(C)[nH+]1 ZINC001299214361 1190675713 /nfs/dbraw/zinc/67/57/13/1190675713.db2.gz JXFMINCNTRGMOR-UHFFFAOYSA-N 1 2 341.455 2.435 10 30 EEEELO C=CCCC(=O)NC[C@@H]1CC[N@H+]1[C@@H](C)C(=O)N(C)C1CCCCC1 ZINC001483637246 1190699484 /nfs/dbraw/zinc/69/94/84/1190699484.db2.gz SUTITAHJWFRTKC-RDJZCZTQSA-N 1 2 335.492 2.323 10 30 EEEELO C=CCCC(=O)NC[C@@H]1CC[N@@H+]1[C@@H](C)C(=O)N(C)C1CCCCC1 ZINC001483637246 1190699485 /nfs/dbraw/zinc/69/94/85/1190699485.db2.gz SUTITAHJWFRTKC-RDJZCZTQSA-N 1 2 335.492 2.323 10 30 EEEELO CCCCc1nc(C[NH2+]CC[C@@H]2CCN(C(=O)C#CC(C)C)C2)no1 ZINC001272431363 1190818404 /nfs/dbraw/zinc/81/84/04/1190818404.db2.gz NNOOUOROPYPBTN-MRXNPFEDSA-N 1 2 346.475 2.400 10 30 EEEELO C=C(Br)C[N@H+]1CC[C@](C)(NC(=O)C[C@](C)(O)C2CC2)C1 ZINC001484042049 1191174395 /nfs/dbraw/zinc/17/43/95/1191174395.db2.gz YXIHUCORYRWVIQ-GJZGRUSLSA-N 1 2 345.281 2.027 10 30 EEEELO C=C(Br)C[N@@H+]1CC[C@](C)(NC(=O)C[C@](C)(O)C2CC2)C1 ZINC001484042049 1191174397 /nfs/dbraw/zinc/17/43/97/1191174397.db2.gz YXIHUCORYRWVIQ-GJZGRUSLSA-N 1 2 345.281 2.027 10 30 EEEELO C#CCC[N@H+]1CCOC[C@@H]1CNC(=O)CCc1ccc(CC)cc1 ZINC001484607869 1191440075 /nfs/dbraw/zinc/44/00/75/1191440075.db2.gz UJDQRPPZVRZKJJ-IBGZPJMESA-N 1 2 328.456 2.022 10 30 EEEELO C#CCC[N@@H+]1CCOC[C@@H]1CNC(=O)CCc1ccc(CC)cc1 ZINC001484607869 1191440076 /nfs/dbraw/zinc/44/00/76/1191440076.db2.gz UJDQRPPZVRZKJJ-IBGZPJMESA-N 1 2 328.456 2.022 10 30 EEEELO C=CCOCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cccc(C)c1C)CO2 ZINC001484802495 1191524927 /nfs/dbraw/zinc/52/49/27/1191524927.db2.gz QQBNVLUNPPYGRD-KRWDZBQOSA-N 1 2 344.455 2.079 10 30 EEEELO C=CC(C)(C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2nc(C3CC3)no2)C1 ZINC001484890533 1191563315 /nfs/dbraw/zinc/56/33/15/1191563315.db2.gz WEKZJYWJFRJLDK-OCCSQVGLSA-N 1 2 332.448 2.486 10 30 EEEELO C=C1CCC(C(=O)NC2(CO)CC[NH+](Cc3ncc(C)o3)CC2)CC1 ZINC001485024936 1191618830 /nfs/dbraw/zinc/61/88/30/1191618830.db2.gz ZEWUYGFVPPLVRI-UHFFFAOYSA-N 1 2 347.459 2.173 10 30 EEEELO C=C(C)CC[NH+]1CC(CCO)(NC(=O)c2scnc2C(C)C)C1 ZINC001485419997 1191781171 /nfs/dbraw/zinc/78/11/71/1191781171.db2.gz ZMSVBDDNDMSKNL-UHFFFAOYSA-N 1 2 337.489 2.399 10 30 EEEELO C#CCCCCC(=O)N[C@]12CCC[C@@H]1[N@H+](Cc1nnc(C)o1)CC2 ZINC001486152463 1193702474 /nfs/dbraw/zinc/70/24/74/1193702474.db2.gz SLWNENADZDLPDQ-YJBOKZPZSA-N 1 2 330.432 2.185 10 30 EEEELO C#CCCCCC(=O)N[C@]12CCC[C@@H]1[N@@H+](Cc1nnc(C)o1)CC2 ZINC001486152463 1193702476 /nfs/dbraw/zinc/70/24/76/1193702476.db2.gz SLWNENADZDLPDQ-YJBOKZPZSA-N 1 2 330.432 2.185 10 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ZINC001411178568 1198863133 /nfs/dbraw/zinc/86/31/33/1198863133.db2.gz BPGJTKDGSNQMEL-SFHVURJKSA-N 1 2 329.444 2.264 10 30 EEEELO CC(C)N(CC[N@@H+](C)Cc1ccccc1C#N)C(=O)[C@H]1CCOC1 ZINC001411178568 1198863134 /nfs/dbraw/zinc/86/31/34/1198863134.db2.gz BPGJTKDGSNQMEL-SFHVURJKSA-N 1 2 329.444 2.264 10 30 EEEELO C=CCCC(C)(C)CNC(=O)C(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000875142135 1199150455 /nfs/dbraw/zinc/15/04/55/1199150455.db2.gz DFHHYKPZXBCHKY-UHFFFAOYSA-N 1 2 347.459 2.432 10 30 EEEELO COc1ccc(C(N)=[NH+]OCc2ccc([N+](=O)[O-])c(OC)c2)cc1 ZINC000809993774 1199187141 /nfs/dbraw/zinc/18/71/41/1199187141.db2.gz FXSVOKIAFSKGIB-UHFFFAOYSA-N 1 2 331.328 2.449 10 30 EEEELO C=C(C)CONC(=O)NC[C@H]1C[N@H+](Cc2cccc(C)c2)CCO1 ZINC000875696771 1199350715 /nfs/dbraw/zinc/35/07/15/1199350715.db2.gz AMKVNXOFAXAKLB-KRWDZBQOSA-N 1 2 333.432 2.003 10 30 EEEELO C=C(C)CONC(=O)NC[C@H]1C[N@@H+](Cc2cccc(C)c2)CCO1 ZINC000875696771 1199350716 /nfs/dbraw/zinc/35/07/16/1199350716.db2.gz AMKVNXOFAXAKLB-KRWDZBQOSA-N 1 2 333.432 2.003 10 30 EEEELO C#CC1CCN(C(=O)NCCNc2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000875829494 1199401555 /nfs/dbraw/zinc/40/15/55/1199401555.db2.gz BHWTUHIWEDQXNH-UHFFFAOYSA-N 1 2 329.448 2.375 10 30 EEEELO C#CCCOc1ccc(C[N@@H+]2CCO[C@H]([C@@H]3COC(C)(C)O3)C2)cc1 ZINC000877785449 1200102577 /nfs/dbraw/zinc/10/25/77/1200102577.db2.gz WCYQQZFVZRTKCD-OALUTQOASA-N 1 2 345.439 2.441 10 30 EEEELO C#CCCOc1ccc(C[N@H+]2CCO[C@H]([C@@H]3COC(C)(C)O3)C2)cc1 ZINC000877785449 1200102582 /nfs/dbraw/zinc/10/25/82/1200102582.db2.gz WCYQQZFVZRTKCD-OALUTQOASA-N 1 2 345.439 2.441 10 30 EEEELO C[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)[C@H]1O)c1cccc(C#N)c1O ZINC000866355204 1201498978 /nfs/dbraw/zinc/49/89/78/1201498978.db2.gz VOBHSNJGAGYCEU-YEWWUXTCSA-N 1 2 330.428 2.482 10 30 EEEELO C#CCC1(O)CC[NH+]([C@H](C)C(=O)Nc2nc3ccccc3s2)CC1 ZINC000880481133 1201498976 /nfs/dbraw/zinc/49/89/76/1201498976.db2.gz FYSBISKDTDNOIE-CYBMUJFWSA-N 1 2 343.452 2.474 10 30 EEEELO C=CC[C@H](C)NC(=O)NC[C@H]1C[N@H+](Cc2ccc(C)cc2)CCO1 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/nfs/dbraw/zinc/11/86/60/1125118660.db2.gz MSVHPXYMWBDDIK-ZDUSSCGKSA-N 1 2 335.423 2.413 10 30 EEEELO C[N@@H+]1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000181372070 283130186 /nfs/dbraw/zinc/13/01/86/283130186.db2.gz KUGFJCBCWZBMPT-HOTGVXAUSA-N 1 2 330.338 2.340 10 30 EEEELO C[N@H+]1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000181372070 283130190 /nfs/dbraw/zinc/13/01/90/283130190.db2.gz KUGFJCBCWZBMPT-HOTGVXAUSA-N 1 2 330.338 2.340 10 30 EEEELO N#CCC[C@H](C#N)CN1CC[NH+](Cc2cnn(-c3ccccc3)c2)CC1 ZINC000105903365 237094465 /nfs/dbraw/zinc/09/44/65/237094465.db2.gz ZIBWWWKUJWCXBZ-GOSISDBHSA-N 1 2 348.454 2.433 10 30 EEEELO C[C@H](O)C1CC[NH+](CC(=O)Nc2ccccc2SCC#N)CC1 ZINC000111286646 237142835 /nfs/dbraw/zinc/14/28/35/237142835.db2.gz SHWACDNWPXXCKP-ZDUSSCGKSA-N 1 2 333.457 2.334 10 30 EEEELO Cc1ccc([C@@H](CNc2nccnc2C#N)[NH+]2CCOCC2)s1 ZINC000072276395 216103589 /nfs/dbraw/zinc/10/35/89/216103589.db2.gz OUSQPSKGJZRUEB-CQSZACIVSA-N 1 2 329.429 2.204 10 30 EEEELO CCN(Cc1ccc(C#N)cc1F)C(=O)C[N@@H+]1CCO[C@H]2CCC[C@H]21 ZINC000230132475 242235816 /nfs/dbraw/zinc/23/58/16/242235816.db2.gz ALZPUNJGZKZWPI-MSOLQXFVSA-N 1 2 345.418 2.299 10 30 EEEELO CCN(Cc1ccc(C#N)cc1F)C(=O)C[N@H+]1CCO[C@H]2CCC[C@H]21 ZINC000230132475 242235819 /nfs/dbraw/zinc/23/58/19/242235819.db2.gz ALZPUNJGZKZWPI-MSOLQXFVSA-N 1 2 345.418 2.299 10 30 EEEELO N#Cc1ccc([C@@H](O)C[NH+]2CCN(C(=O)C3CCCCC3)CC2)cc1 ZINC000268600693 252057296 /nfs/dbraw/zinc/05/72/96/252057296.db2.gz IJAWPQIMHNIYRE-IBGZPJMESA-N 1 2 341.455 2.316 10 30 EEEELO N#Cc1ccc(C2(C(=O)N[C@@H]3CCN(c4cccc[nH+]4)C3)CC2)cc1 ZINC000188890711 160131437 /nfs/dbraw/zinc/13/14/37/160131437.db2.gz ZVPPQQANUMHQPZ-QGZVFWFLSA-N 1 2 332.407 2.380 10 30 EEEELO CCCNC(=O)C[NH+]1CCC(Nc2cc(C#N)ccc2C(C)=O)CC1 ZINC000302099605 266057303 /nfs/dbraw/zinc/05/73/03/266057303.db2.gz KSWZJQKACILYDX-UHFFFAOYSA-N 1 2 342.443 2.163 10 30 EEEELO N#Cc1ccc(N2CC[NH+](C[C@@H](O)C(F)(F)F)CC2)c(Cl)c1 ZINC000277759752 269179529 /nfs/dbraw/zinc/17/95/29/269179529.db2.gz MDKLIZCKSKLLAX-CYBMUJFWSA-N 1 2 333.741 2.257 10 30 EEEELO N#Cc1cc(F)c(C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)c(F)c1 ZINC000152406293 303181159 /nfs/dbraw/zinc/18/11/59/303181159.db2.gz IZQNMSFPGOXFGB-CQSZACIVSA-N 1 2 349.381 2.163 10 30 EEEELO CC(=O)N[C@]1(c2noc(C)n2)CCN(c2cc(C)[nH+]c(C)c2C#N)C1 ZINC000328612061 465070366 /nfs/dbraw/zinc/07/03/66/465070366.db2.gz NTYLGFVEZGKGDS-QGZVFWFLSA-N 1 2 340.387 2.344 10 30 EEEELO CCN1CCN(C(=O)NC(C2CC2)C2CC2)C[C@H]1c1[nH+]ccn1C ZINC000328633684 465081602 /nfs/dbraw/zinc/08/16/02/465081602.db2.gz STRXDWIDILPLDD-HNNXBMFYSA-N 1 2 331.464 2.201 10 30 EEEELO CCCc1[nH+]c2ccccc2n1CCC(=O)N1CCOC[C@@H]1C#N ZINC000354882864 465208526 /nfs/dbraw/zinc/20/85/26/465208526.db2.gz TVVDUTCEGWWQOY-AWEZNQCLSA-N 1 2 326.400 2.130 10 30 EEEELO COc1ccc(F)c(C[N@@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)c1 ZINC000351772888 465353293 /nfs/dbraw/zinc/35/32/93/465353293.db2.gz AGPXMZYATQQYDK-ZDUSSCGKSA-N 1 2 341.390 2.207 10 30 EEEELO COc1ccc(F)c(C[N@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)c1 ZINC000351772888 465353301 /nfs/dbraw/zinc/35/33/01/465353301.db2.gz AGPXMZYATQQYDK-ZDUSSCGKSA-N 1 2 341.390 2.207 10 30 EEEELO C[C@@H]1CCC[C@H](NC(=O)C[N@H+](C)C[C@@H]2CCS(=O)(=O)C2)[C@H]1C ZINC000329602510 465384495 /nfs/dbraw/zinc/38/44/95/465384495.db2.gz YBOGDADBZNFPIU-QPSCCSFWSA-N 1 2 330.494 2.134 10 30 EEEELO C[C@@H]1CCC[C@H](NC(=O)C[N@@H+](C)C[C@@H]2CCS(=O)(=O)C2)[C@H]1C ZINC000329602510 465384503 /nfs/dbraw/zinc/38/45/03/465384503.db2.gz YBOGDADBZNFPIU-QPSCCSFWSA-N 1 2 330.494 2.134 10 30 EEEELO C=CCCC[C@H](C)[NH+]1CCN(S(=O)(=O)c2c(C)noc2C)CC1 ZINC000091507037 462884864 /nfs/dbraw/zinc/88/48/64/462884864.db2.gz PWUZYZRWKSEIMI-ZDUSSCGKSA-N 1 2 341.477 2.343 10 30 EEEELO C=CC[N@@H+](CC(=O)N1C[C@@H](C)O[C@H](C)C1)Cc1cccc([N+](=O)[O-])c1 ZINC000119995512 462950216 /nfs/dbraw/zinc/95/02/16/462950216.db2.gz OVVDICITFHDBIT-HUUCEWRRSA-N 1 2 347.415 2.219 10 30 EEEELO C=CC[N@H+](CC(=O)N1C[C@@H](C)O[C@H](C)C1)Cc1cccc([N+](=O)[O-])c1 ZINC000119995512 462950218 /nfs/dbraw/zinc/95/02/18/462950218.db2.gz OVVDICITFHDBIT-HUUCEWRRSA-N 1 2 347.415 2.219 10 30 EEEELO C[N@H+](Cc1ccc(F)cc1)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1=O ZINC000077397680 462979598 /nfs/dbraw/zinc/97/95/98/462979598.db2.gz WGUDNJOAWCMNOQ-KRWDZBQOSA-N 1 2 337.354 2.461 10 30 EEEELO C[N@@H+](Cc1ccc(F)cc1)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1=O ZINC000077397680 462979600 /nfs/dbraw/zinc/97/96/00/462979600.db2.gz WGUDNJOAWCMNOQ-KRWDZBQOSA-N 1 2 337.354 2.461 10 30 EEEELO Cc1cnn(C[C@@H]2CCC[N@@H+]2CC(=O)Nc2oc(C)c(C)c2C#N)c1 ZINC000070039589 463371036 /nfs/dbraw/zinc/37/10/36/463371036.db2.gz XGJLIMOAIDAJRH-HNNXBMFYSA-N 1 2 341.415 2.376 10 30 EEEELO Cc1cnn(C[C@@H]2CCC[N@H+]2CC(=O)Nc2oc(C)c(C)c2C#N)c1 ZINC000070039589 463371041 /nfs/dbraw/zinc/37/10/41/463371041.db2.gz XGJLIMOAIDAJRH-HNNXBMFYSA-N 1 2 341.415 2.376 10 30 EEEELO C#CCC[NH+]1CCN(C(=O)c2c(F)cccc2NC(=O)C(C)C)CC1 ZINC000073228443 463595345 /nfs/dbraw/zinc/59/53/45/463595345.db2.gz FDUHFGFXCKWGCF-UHFFFAOYSA-N 1 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/nfs/dbraw/zinc/30/89/66/464308966.db2.gz UMOXSIWCXOTKHA-GOSISDBHSA-N 1 2 343.406 2.353 10 30 EEEELO C=C(C)CN(C)C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000180638256 464356881 /nfs/dbraw/zinc/35/68/81/464356881.db2.gz OCEBPSXVZHEKIB-GASCZTMLSA-N 1 2 332.448 2.413 10 30 EEEELO CC(C)NC(=O)c1ccccc1NC(=O)C[NH+]1CCC(C)(C#N)CC1 ZINC000272580757 464666630 /nfs/dbraw/zinc/66/66/30/464666630.db2.gz OFDOQJDZAVLSQI-UHFFFAOYSA-N 1 2 342.443 2.389 10 30 EEEELO C[C@H](CC#N)[N@H+](C)C[C@H](O)COc1cccc(Br)c1 ZINC000177373675 464997372 /nfs/dbraw/zinc/99/73/72/464997372.db2.gz FHAXLVGCFSJCMM-YPMHNXCESA-N 1 2 327.222 2.423 10 30 EEEELO C[C@H](CC#N)[N@@H+](C)C[C@H](O)COc1cccc(Br)c1 ZINC000177373675 464997378 /nfs/dbraw/zinc/99/73/78/464997378.db2.gz FHAXLVGCFSJCMM-YPMHNXCESA-N 1 2 327.222 2.423 10 30 EEEELO O=C(N[C@H]1CCn2cc[nH+]c2C1)[C@H]1CSCN1C(=O)C1CCCC1 ZINC000330288172 465599516 /nfs/dbraw/zinc/59/95/16/465599516.db2.gz BMPGYKOJYDCGOB-UONOGXRCSA-N 1 2 348.472 2.246 10 30 EEEELO CC#CCCNC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(OC)cc1 ZINC000361232421 465850729 /nfs/dbraw/zinc/85/07/29/465850729.db2.gz OBIHROYQNOSHAW-MRXNPFEDSA-N 1 2 326.400 2.231 10 30 EEEELO N#Cc1ccc(C[N@@H+](CC(=O)N2CCCC2)C[C@@H]2CCCO2)c(F)c1 ZINC000353666363 466050641 /nfs/dbraw/zinc/05/06/41/466050641.db2.gz OPZMYKJWAOTQBH-KRWDZBQOSA-N 1 2 345.418 2.301 10 30 EEEELO N#Cc1ccc(C[N@H+](CC(=O)N2CCCC2)C[C@@H]2CCCO2)c(F)c1 ZINC000353666363 466050651 /nfs/dbraw/zinc/05/06/51/466050651.db2.gz OPZMYKJWAOTQBH-KRWDZBQOSA-N 1 2 345.418 2.301 10 30 EEEELO C=CCCCCNC(=O)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000340454382 466100516 /nfs/dbraw/zinc/10/05/16/466100516.db2.gz KIVYGIDOFYGMDY-UHFFFAOYSA-N 1 2 340.427 2.020 10 30 EEEELO C[C@H]([NH2+][C@@H](Cc1ccccc1)c1ncco1)C(=O)N(C)CCC#N ZINC000594054594 468473733 /nfs/dbraw/zinc/47/37/33/468473733.db2.gz IJLVKQZUFUIYLT-HOCLYGCPSA-N 1 2 326.400 2.309 10 30 EEEELO C=CCc1cc(C[N@H+]2CCC[C@@]2(COC)C(=O)OC)cc(OC)c1O ZINC000597220786 468484158 /nfs/dbraw/zinc/48/41/58/468484158.db2.gz MRWQDGKHJVGZQN-LJQANCHMSA-N 1 2 349.427 2.283 10 30 EEEELO C=CCc1cc(C[N@@H+]2CCC[C@@]2(COC)C(=O)OC)cc(OC)c1O ZINC000597220786 468484161 /nfs/dbraw/zinc/48/41/61/468484161.db2.gz MRWQDGKHJVGZQN-LJQANCHMSA-N 1 2 349.427 2.283 10 30 EEEELO C=CCNC(=O)c1ccc(NC(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000377772418 467137766 /nfs/dbraw/zinc/13/77/66/467137766.db2.gz WZIRCTLVOZBIJU-CQSZACIVSA-N 1 2 339.399 2.005 10 30 EEEELO C=CCNC(=O)c1ccc(NC(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000377772418 467137768 /nfs/dbraw/zinc/13/77/68/467137768.db2.gz WZIRCTLVOZBIJU-CQSZACIVSA-N 1 2 339.399 2.005 10 30 EEEELO C[C@@H]1CN(c2ccc(CNC(=O)c3cscc3C#N)c[nH+]2)CCO1 ZINC000432395904 467237732 /nfs/dbraw/zinc/23/77/32/467237732.db2.gz BIZVYMVKYJGLPE-GFCCVEGCSA-N 1 2 342.424 2.170 10 30 EEEELO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(c2ncc(CC)s2)CC1 ZINC000441371310 467571893 /nfs/dbraw/zinc/57/18/93/467571893.db2.gz KMXHXTUMKZKWRL-OAHLLOKOSA-N 1 2 348.516 2.417 10 30 EEEELO COCCC1CC[NH+](CCS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000528576561 467706258 /nfs/dbraw/zinc/70/62/58/467706258.db2.gz AODQMAPIWYJNID-UHFFFAOYSA-N 1 2 336.457 2.080 10 30 EEEELO C=CCn1c(C)cc(C(=O)C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)c1C ZINC000528783123 467753379 /nfs/dbraw/zinc/75/33/79/467753379.db2.gz LHBCLKRFBHPBGC-VBURHUQHSA-N 1 2 334.485 2.459 10 30 EEEELO C=CCn1c(C)cc(C(=O)C[N@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)c1C ZINC000528783123 467753385 /nfs/dbraw/zinc/75/33/85/467753385.db2.gz LHBCLKRFBHPBGC-VBURHUQHSA-N 1 2 334.485 2.459 10 30 EEEELO N#CCc1ccc(CS(=O)(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000576581083 468168294 /nfs/dbraw/zinc/16/82/94/468168294.db2.gz PMTDHNLLPOZUSX-UHFFFAOYSA-N 1 2 344.440 2.185 10 30 EEEELO C[C@H](C#N)C[N@H+](Cc1cc(Cl)cc(S(N)(=O)=O)c1)C1CC1 ZINC000577637689 468188399 /nfs/dbraw/zinc/18/83/99/468188399.db2.gz ARLDJBWJHXKBRH-SNVBAGLBSA-N 1 2 327.837 2.111 10 30 EEEELO C[C@H](C#N)C[N@@H+](Cc1cc(Cl)cc(S(N)(=O)=O)c1)C1CC1 ZINC000577637689 468188403 /nfs/dbraw/zinc/18/84/03/468188403.db2.gz ARLDJBWJHXKBRH-SNVBAGLBSA-N 1 2 327.837 2.111 10 30 EEEELO CCNc1nc(N2Cc3ccc(C#N)cc3C2)nc(NC(C)(C)C)[nH+]1 ZINC000594603551 468632764 /nfs/dbraw/zinc/63/27/64/468632764.db2.gz JEYIROOXRMAMML-UHFFFAOYSA-N 1 2 337.431 2.328 10 30 EEEELO CCNc1nc(NC(C)(C)C)nc(N2Cc3ccc(C#N)cc3C2)[nH+]1 ZINC000594603551 468632770 /nfs/dbraw/zinc/63/27/70/468632770.db2.gz JEYIROOXRMAMML-UHFFFAOYSA-N 1 2 337.431 2.328 10 30 EEEELO CCNc1nc(NC(C)(C)C)[nH+]c(N2Cc3ccc(C#N)cc3C2)n1 ZINC000594603551 468632773 /nfs/dbraw/zinc/63/27/73/468632773.db2.gz JEYIROOXRMAMML-UHFFFAOYSA-N 1 2 337.431 2.328 10 30 EEEELO COC[C@@]1(C(=O)OC(C)(C)C)CCN(c2cc(C)[nH+]cc2C#N)C1 ZINC000601228288 468789884 /nfs/dbraw/zinc/78/98/84/468789884.db2.gz LRFYPQZVLDRWGT-GOSISDBHSA-N 1 2 331.416 2.446 10 30 EEEELO CCN(C(=O)[C@@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1)[C@H](C)C#N ZINC000598359021 468841603 /nfs/dbraw/zinc/84/16/03/468841603.db2.gz INWRBTYPLFPGJG-HUUCEWRRSA-N 1 2 332.423 2.097 10 30 EEEELO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)NCC1(C#N)CCCC1 ZINC000593172108 468893953 /nfs/dbraw/zinc/89/39/53/468893953.db2.gz HXCKFEZCCBLEOO-UHFFFAOYSA-N 1 2 343.431 2.432 10 30 EEEELO COC(=O)[C@@H](NCc1c[nH+]c2ccc(C#N)cn12)c1ccccc1F ZINC000585767380 469028049 /nfs/dbraw/zinc/02/80/49/469028049.db2.gz BZWUJTVJHCJUFB-KRWDZBQOSA-N 1 2 338.342 2.349 10 30 EEEELO CCn1cc[nH+]c1CNS(=O)(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000593600718 469053371 /nfs/dbraw/zinc/05/33/71/469053371.db2.gz DMIKPUNLVFZUDP-UHFFFAOYSA-N 1 2 332.429 2.183 10 30 EEEELO COC(=O)c1ccc(F)c2c1C[N@H+](C[C@@H](O)CC1(C#N)CC1)CC2 ZINC000599550485 469290279 /nfs/dbraw/zinc/29/02/79/469290279.db2.gz UUPBWXBMOMCCTL-LBPRGKRZSA-N 1 2 332.375 2.025 10 30 EEEELO COC(=O)c1ccc(F)c2c1C[N@@H+](C[C@@H](O)CC1(C#N)CC1)CC2 ZINC000599550485 469290282 /nfs/dbraw/zinc/29/02/82/469290282.db2.gz UUPBWXBMOMCCTL-LBPRGKRZSA-N 1 2 332.375 2.025 10 30 EEEELO N#CC1(CC(=O)Nc2cccc(C[NH+]3CCOCC3)c2)CCOCC1 ZINC000596910418 469405995 /nfs/dbraw/zinc/40/59/95/469405995.db2.gz DVZJYPFRHPHGIU-UHFFFAOYSA-N 1 2 343.427 2.168 10 30 EEEELO C=C(C)[C@@H](CO)[N@@H+]1CCN(Cc2ccc(C(F)(F)F)cc2)C(=O)C1 ZINC000626084398 469497060 /nfs/dbraw/zinc/49/70/60/469497060.db2.gz BEZVZYNLTFKVMJ-OAHLLOKOSA-N 1 2 342.361 2.287 10 30 EEEELO C=C(C)[C@@H](CO)[N@H+]1CCN(Cc2ccc(C(F)(F)F)cc2)C(=O)C1 ZINC000626084398 469497064 /nfs/dbraw/zinc/49/70/64/469497064.db2.gz BEZVZYNLTFKVMJ-OAHLLOKOSA-N 1 2 342.361 2.287 10 30 EEEELO CN(C)c1c[nH+]ccc1NC(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000619125663 469532526 /nfs/dbraw/zinc/53/25/26/469532526.db2.gz QVOVVCCBIUQZJN-UHFFFAOYSA-N 1 2 333.351 2.348 10 30 EEEELO C=CC[C@H](CC)NC(=O)NC[C@@H]1CN(C)CC[N@@H+]1Cc1ccccc1 ZINC000661123184 471633685 /nfs/dbraw/zinc/63/36/85/471633685.db2.gz MDJHEDJBZLYDDZ-RBUKOAKNSA-N 1 2 344.503 2.457 10 30 EEEELO C=CC[C@H](CC)NC(=O)NC[C@@H]1CN(C)CC[N@H+]1Cc1ccccc1 ZINC000661123184 471633692 /nfs/dbraw/zinc/63/36/92/471633692.db2.gz MDJHEDJBZLYDDZ-RBUKOAKNSA-N 1 2 344.503 2.457 10 30 EEEELO C=CC[N@H+](Cc1ccc(S(=O)(=O)N(C)C)s1)[C@@H](C)COC ZINC000661239657 471685298 /nfs/dbraw/zinc/68/52/98/471685298.db2.gz IIGOGEZUMHIIGZ-LBPRGKRZSA-N 1 2 332.491 2.021 10 30 EEEELO C=CC[N@@H+](Cc1ccc(S(=O)(=O)N(C)C)s1)[C@@H](C)COC ZINC000661239657 471685304 /nfs/dbraw/zinc/68/53/04/471685304.db2.gz IIGOGEZUMHIIGZ-LBPRGKRZSA-N 1 2 332.491 2.021 10 30 EEEELO C=C(C)C[C@H](NC(C)=O)C(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000667577712 471829209 /nfs/dbraw/zinc/82/92/09/471829209.db2.gz WADHUKCJCRKGFR-HNNXBMFYSA-N 1 2 333.432 2.136 10 30 EEEELO C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000665394816 472032856 /nfs/dbraw/zinc/03/28/56/472032856.db2.gz VFFRQMCUSGTZBZ-MSOLQXFVSA-N 1 2 345.491 2.382 10 30 EEEELO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H](c2cc(F)ccc2F)C1 ZINC000191674899 526589912 /nfs/dbraw/zinc/58/99/12/526589912.db2.gz PFFWPVJWNPYHSJ-GFCCVEGCSA-N 1 2 337.370 2.156 10 30 EEEELO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](c2cc(F)ccc2F)C1 ZINC000191674899 526589917 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327.469 2.183 10 30 EEEELO CC[N@H+](Cc1cc(Cl)ccc1OCC#N)[C@@H](C)CS(C)(=O)=O ZINC000735311833 578145894 /nfs/dbraw/zinc/14/58/94/578145894.db2.gz WMNQBFIJNDWYRV-LBPRGKRZSA-N 1 2 344.864 2.497 10 30 EEEELO CC[N@@H+](Cc1cc(Cl)ccc1OCC#N)[C@@H](C)CS(C)(=O)=O ZINC000735311833 578145895 /nfs/dbraw/zinc/14/58/95/578145895.db2.gz WMNQBFIJNDWYRV-LBPRGKRZSA-N 1 2 344.864 2.497 10 30 EEEELO CCOCc1nc(C)cc(NNC=C2C(=O)CC(C)(C)CC2=O)[nH+]1 ZINC000905000475 694498696 /nfs/dbraw/zinc/49/86/96/694498696.db2.gz WBYVBYSNXHDNAR-UHFFFAOYSA-N 1 2 332.404 2.080 10 30 EEEELO N#C[C@@]1(C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)CC2CCC1CC2 ZINC000905253983 694580854 /nfs/dbraw/zinc/58/08/54/694580854.db2.gz XWNFNLFUPQNFBW-AKSNENBUSA-N 1 2 331.460 2.030 10 30 EEEELO C=CCOCC(=O)N[C@H]1C[N@@H+](Cc2ccc(F)cc2F)CC1(C)C ZINC001485563348 1191843593 /nfs/dbraw/zinc/84/35/93/1191843593.db2.gz LTFMWMZWWQXTSW-INIZCTEOSA-N 1 2 338.398 2.494 10 30 EEEELO C=CCOCC(=O)N[C@H]1C[N@H+](Cc2ccc(F)cc2F)CC1(C)C ZINC001485563348 1191843594 /nfs/dbraw/zinc/84/35/94/1191843594.db2.gz LTFMWMZWWQXTSW-INIZCTEOSA-N 1 2 338.398 2.494 10 30 EEEELO C[N@@H+](CC#Cc1ccccc1Cl)CCNC(=O)c1ncccc1O ZINC001266270554 1176070369 /nfs/dbraw/zinc/07/03/69/1176070369.db2.gz VYGXXDXHLLALMJ-UHFFFAOYSA-N 1 2 343.814 2.154 10 30 EEEELO C[N@H+](CC#Cc1ccccc1Cl)CCNC(=O)c1ncccc1O ZINC001266270554 1176070378 /nfs/dbraw/zinc/07/03/78/1176070378.db2.gz VYGXXDXHLLALMJ-UHFFFAOYSA-N 1 2 343.814 2.154 10 30 EEEELO C=CC(C)(C)C(=O)NCC[N@@H+](C)CC(=O)Nc1cc(F)cc(F)c1 ZINC001266308735 1176209065 /nfs/dbraw/zinc/20/90/65/1176209065.db2.gz BRYYJZUIIVSOKK-UHFFFAOYSA-N 1 2 339.386 2.164 10 30 EEEELO C=CC(C)(C)C(=O)NCC[N@H+](C)CC(=O)Nc1cc(F)cc(F)c1 ZINC001266308735 1176209072 /nfs/dbraw/zinc/20/90/72/1176209072.db2.gz BRYYJZUIIVSOKK-UHFFFAOYSA-N 1 2 339.386 2.164 10 30 EEEELO CC#CCCCC(=O)NC1(C2CC[NH+](Cc3cnon3)CC2)CC1 ZINC001279360407 1176221910 /nfs/dbraw/zinc/22/19/10/1176221910.db2.gz NLAAAYLYZLUGBH-UHFFFAOYSA-N 1 2 330.432 2.124 10 30 EEEELO C[N@H+](CCNC(=O)c1ccn(C(C)(C)C)n1)Cc1ccccc1C#N ZINC001480870532 1176386865 /nfs/dbraw/zinc/38/68/65/1176386865.db2.gz QICBUILQOVUELU-UHFFFAOYSA-N 1 2 339.443 2.372 10 30 EEEELO C[N@@H+](CCNC(=O)c1ccn(C(C)(C)C)n1)Cc1ccccc1C#N ZINC001480870532 1176386872 /nfs/dbraw/zinc/38/68/72/1176386872.db2.gz QICBUILQOVUELU-UHFFFAOYSA-N 1 2 339.443 2.372 10 30 EEEELO C=C[C@H](CC)CC(=O)NC[C@H]1CCC[N@@H+]1Cc1nn(CC)nc1C ZINC001266477706 1176609784 /nfs/dbraw/zinc/60/97/84/1176609784.db2.gz UHYFPMXVDGXNJR-HZPDHXFCSA-N 1 2 333.480 2.289 10 30 EEEELO C=C[C@H](CC)CC(=O)NC[C@H]1CCC[N@H+]1Cc1nn(CC)nc1C ZINC001266477706 1176609793 /nfs/dbraw/zinc/60/97/93/1176609793.db2.gz UHYFPMXVDGXNJR-HZPDHXFCSA-N 1 2 333.480 2.289 10 30 EEEELO CC(C)C#CC(=O)NC[C@H]1CC[N@@H+]([C@H](C)c2nc(C3CC3)no2)C1 ZINC001266512161 1176698519 /nfs/dbraw/zinc/69/85/19/1176698519.db2.gz YJRUICUBIIYLHN-ZIAGYGMSSA-N 1 2 330.432 2.106 10 30 EEEELO CC(C)C#CC(=O)NC[C@H]1CC[N@H+]([C@H](C)c2nc(C3CC3)no2)C1 ZINC001266512161 1176698523 /nfs/dbraw/zinc/69/85/23/1176698523.db2.gz YJRUICUBIIYLHN-ZIAGYGMSSA-N 1 2 330.432 2.106 10 30 EEEELO C=C(C)CCC(=O)NC[C@H]1CCC[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001746960942 1176860089 /nfs/dbraw/zinc/86/00/89/1176860089.db2.gz DYUAYJUVCWJUIV-HZPDHXFCSA-N 1 2 332.448 2.031 10 30 EEEELO C=CCCCC(=O)N1CC[C@H](CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001744822677 1177030203 /nfs/dbraw/zinc/03/02/03/1177030203.db2.gz RWZKRTZAJJWBBK-CABCVRRESA-N 1 2 344.459 2.151 10 30 EEEELO C#Cc1ccccc1CC(=O)NC[C@H]1CC[N@@H+]1CC#Cc1ccccc1 ZINC001670713573 1177042254 /nfs/dbraw/zinc/04/22/54/1177042254.db2.gz JVVNVGOTHXWCDI-JOCHJYFZSA-N 1 2 342.442 2.453 10 30 EEEELO C#Cc1ccccc1CC(=O)NC[C@H]1CC[N@H+]1CC#Cc1ccccc1 ZINC001670713573 1177042261 /nfs/dbraw/zinc/04/22/61/1177042261.db2.gz JVVNVGOTHXWCDI-JOCHJYFZSA-N 1 2 342.442 2.453 10 30 EEEELO C=C(C)CCC(=O)N1CC[C@H](N(C)C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001687220110 1177124970 /nfs/dbraw/zinc/12/49/70/1177124970.db2.gz PVKPXMLIRJTFCK-LSDHHAIUSA-N 1 2 344.459 2.245 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VVHWHDABEAGLDR-HOTGVXAUSA-N 1 2 347.503 2.275 10 30 EEEELO C=C1CC(C)(C(=O)N(C)C[C@@H]2CC[N@H+]2[C@H]2CCN(C(C)(C)C)C2=O)C1 ZINC001691661602 1193611500 /nfs/dbraw/zinc/61/15/00/1193611500.db2.gz VVHWHDABEAGLDR-HOTGVXAUSA-N 1 2 347.503 2.275 10 30 EEEELO Cc1cnc(C(=O)NC[C@@H](C)[N@H+](C)Cc2cc(F)ccc2C#N)cn1 ZINC001409497928 1189873177 /nfs/dbraw/zinc/87/31/77/1189873177.db2.gz NFCBKGIPYCXANS-CYBMUJFWSA-N 1 2 341.390 2.046 10 30 EEEELO Cc1cnc(C(=O)NC[C@@H](C)[N@@H+](C)Cc2cc(F)ccc2C#N)cn1 ZINC001409497928 1189873183 /nfs/dbraw/zinc/87/31/83/1189873183.db2.gz NFCBKGIPYCXANS-CYBMUJFWSA-N 1 2 341.390 2.046 10 30 EEEELO C=CCC(C)(C)C(=O)N[C@@H](C)C[N@H+](C)CC(=O)Nc1nccs1 ZINC001483389981 1190433036 /nfs/dbraw/zinc/43/30/36/1190433036.db2.gz JJOIHMPEVVCOJJ-LBPRGKRZSA-N 1 2 338.477 2.120 10 30 EEEELO C=CCC(C)(C)C(=O)N[C@@H](C)C[N@@H+](C)CC(=O)Nc1nccs1 ZINC001483389981 1190433038 /nfs/dbraw/zinc/43/30/38/1190433038.db2.gz JJOIHMPEVVCOJJ-LBPRGKRZSA-N 1 2 338.477 2.120 10 30 EEEELO Cc1nc(C[NH+]2CC([C@@H](C)NC(=O)[C@H](C)C#N)C2)nc2ccccc12 ZINC001409842653 1190673993 /nfs/dbraw/zinc/67/39/93/1190673993.db2.gz MGRFQZQVZHVBMT-CHWSQXEVSA-N 1 2 337.427 2.034 10 30 EEEELO C=CCCC(=O)NC[C@H]1CC[N@H+]1[C@@H](C)C(=O)NCc1ccccc1C ZINC001483637223 1190699667 /nfs/dbraw/zinc/69/96/67/1190699667.db2.gz SLZRPGFDXCXHIX-FUHWJXTLSA-N 1 2 343.471 2.156 10 30 EEEELO C=CCCC(=O)NC[C@H]1CC[N@@H+]1[C@@H](C)C(=O)NCc1ccccc1C ZINC001483637223 1190699668 /nfs/dbraw/zinc/69/96/68/1190699668.db2.gz SLZRPGFDXCXHIX-FUHWJXTLSA-N 1 2 343.471 2.156 10 30 EEEELO C=CCNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)CC1(C)CCCCC1 ZINC001691645506 1190951704 /nfs/dbraw/zinc/95/17/04/1190951704.db2.gz CNAPQNFXRPJLLL-INIZCTEOSA-N 1 2 335.492 2.182 10 30 EEEELO C=CCNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)CC1(C)CCCCC1 ZINC001691645506 1190951708 /nfs/dbraw/zinc/95/17/08/1190951708.db2.gz CNAPQNFXRPJLLL-INIZCTEOSA-N 1 2 335.492 2.182 10 30 EEEELO C=CCOc1cccnc1C(=O)NCC1([NH2+]Cc2cscn2)CC1 ZINC001483783919 1191026182 /nfs/dbraw/zinc/02/61/82/1191026182.db2.gz NASWQYNDQAJQGM-UHFFFAOYSA-N 1 2 344.440 2.155 10 30 EEEELO C#CCCCCC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ncccn1)C2 ZINC001483829311 1191065011 /nfs/dbraw/zinc/06/50/11/1191065011.db2.gz IBGWODDVCBXWSO-FQEVSTJZSA-N 1 2 340.471 2.485 10 30 EEEELO C#CCCCCC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ncccn1)C2 ZINC001483829311 1191065013 /nfs/dbraw/zinc/06/50/13/1191065013.db2.gz IBGWODDVCBXWSO-FQEVSTJZSA-N 1 2 340.471 2.485 10 30 EEEELO CC(C)C#CC(=O)NC1(C)CC[NH+](Cc2nnc(C(C)C)o2)CC1 ZINC001483966724 1191134839 /nfs/dbraw/zinc/13/48/39/1191134839.db2.gz AMCXXAOXQWXILP-UHFFFAOYSA-N 1 2 332.448 2.323 10 30 EEEELO C#CCN(C(=O)[C@H](CC)OCC)C1CC[NH+](Cc2ncc(C)o2)CC1 ZINC001483980870 1191140014 /nfs/dbraw/zinc/14/00/14/1191140014.db2.gz PPHDUPZNVVZETP-KRWDZBQOSA-N 1 2 347.459 2.224 10 30 EEEELO C=C(C)[C@H](CC(=O)NCC1(O)C[NH+](Cc2ccc(C)cc2)C1)OCC ZINC001484275860 1191292035 /nfs/dbraw/zinc/29/20/35/1191292035.db2.gz JPVDJHQXWWLDFU-SFHVURJKSA-N 1 2 346.471 2.029 10 30 EEEELO CC(C)C#CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1nnc(C(C)C)[nH]1)C2 ZINC001484316971 1191300888 /nfs/dbraw/zinc/30/08/88/1191300888.db2.gz AELBGTJAIGFCOF-JYJNAYRXSA-N 1 2 343.475 2.057 10 30 EEEELO CC(C)C#CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1nnc(C(C)C)[nH]1)C2 ZINC001484316971 1191300892 /nfs/dbraw/zinc/30/08/92/1191300892.db2.gz AELBGTJAIGFCOF-JYJNAYRXSA-N 1 2 343.475 2.057 10 30 EEEELO C=C(C)CCC(=O)N1CCC[C@H]2C[N@@H+](Cc3nn(CC)nc3C)C[C@H]21 ZINC001484470553 1191374724 /nfs/dbraw/zinc/37/47/24/1191374724.db2.gz JDKQSIHVFBBRIK-FUHWJXTLSA-N 1 2 345.491 2.386 10 30 EEEELO C=C(C)CCC(=O)N1CCC[C@H]2C[N@H+](Cc3nn(CC)nc3C)C[C@H]21 ZINC001484470553 1191374727 /nfs/dbraw/zinc/37/47/27/1191374727.db2.gz JDKQSIHVFBBRIK-FUHWJXTLSA-N 1 2 345.491 2.386 10 30 EEEELO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H](c1ccccc1)C(C)C)CO2 ZINC001484803367 1191525152 /nfs/dbraw/zinc/52/51/52/1191525152.db2.gz BKZLEPOUXQWZDY-OALUTQOASA-N 1 2 340.467 2.409 10 30 EEEELO C[C@@H]([NH2+]Cc1cnsn1)c1ccc(CNC(=O)C#CC2CC2)cc1 ZINC001272691002 1191550039 /nfs/dbraw/zinc/55/00/39/1191550039.db2.gz GTHRNRBQQFTQIU-CYBMUJFWSA-N 1 2 340.452 2.419 10 30 EEEELO C=CCCC(=O)N[C@]1(CNC(=O)Cc2c[nH]c[nH+]2)CCCC[C@@H]1C ZINC001746478957 1191645262 /nfs/dbraw/zinc/64/52/62/1191645262.db2.gz VTDDKFJMDVBISD-KSSFIOAISA-N 1 2 332.448 2.100 10 30 EEEELO CCO[C@H](C)C(=O)N[C@@H](C)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001485489017 1191810666 /nfs/dbraw/zinc/81/06/66/1191810666.db2.gz ASWPQKZZZKUXDT-QWHCGFSZSA-N 1 2 333.407 2.059 10 30 EEEELO C#CCCCC(=O)N[C@]12CCC[C@@H]1[N@H+](Cc1nc(CCC)no1)CC2 ZINC001486151419 1193701983 /nfs/dbraw/zinc/70/19/83/1193701983.db2.gz LCUJFNXOBWLURN-KXBFYZLASA-N 1 2 344.459 2.439 10 30 EEEELO C#CCCCC(=O)N[C@]12CCC[C@@H]1[N@@H+](Cc1nc(CCC)no1)CC2 ZINC001486151419 1193701985 /nfs/dbraw/zinc/70/19/85/1193701985.db2.gz LCUJFNXOBWLURN-KXBFYZLASA-N 1 2 344.459 2.439 10 30 EEEELO C=CCCC(=O)N[C@H]1CCC[N@@H+](CCCS(=O)(=O)C(C)C)[C@H]1C ZINC001486172269 1193712153 /nfs/dbraw/zinc/71/21/53/1193712153.db2.gz SZVVRPVDEJXOGT-HOTGVXAUSA-N 1 2 344.521 2.135 10 30 EEEELO C=CCCC(=O)N[C@H]1CCC[N@H+](CCCS(=O)(=O)C(C)C)[C@H]1C ZINC001486172269 1193712155 /nfs/dbraw/zinc/71/21/55/1193712155.db2.gz SZVVRPVDEJXOGT-HOTGVXAUSA-N 1 2 344.521 2.135 10 30 EEEELO CCc1nnc(C[NH+]2CCC([C@H](C)NC(=O)C#CC(C)C)CC2)o1 ZINC001486445617 1193959744 /nfs/dbraw/zinc/95/97/44/1193959744.db2.gz HBPDMSSJSIQRPN-AWEZNQCLSA-N 1 2 332.448 2.008 10 30 EEEELO C=CC(C)(C)C(=O)N(C)C1CCC(NC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001486740942 1194212515 /nfs/dbraw/zinc/21/25/15/1194212515.db2.gz JJMOMAKIGMZUJV-UHFFFAOYSA-N 1 2 346.475 2.359 10 30 EEEELO C=CC1(CC(=O)N(C)C[C@H]2CC[N@@H+]2CC(=O)N2CCC2)CCCCC1 ZINC001691665954 1194302803 /nfs/dbraw/zinc/30/28/03/1194302803.db2.gz OEWFMDPZIZVYHK-QGZVFWFLSA-N 1 2 347.503 2.278 10 30 EEEELO C=CC1(CC(=O)N(C)C[C@H]2CC[N@H+]2CC(=O)N2CCC2)CCCCC1 ZINC001691665954 1194302806 /nfs/dbraw/zinc/30/28/06/1194302806.db2.gz OEWFMDPZIZVYHK-QGZVFWFLSA-N 1 2 347.503 2.278 10 30 EEEELO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)C1(CC)CCCCC1 ZINC001691679353 1197484145 /nfs/dbraw/zinc/48/41/45/1197484145.db2.gz TVQJCKAGXMTIEA-DLBZAZTESA-N 1 2 347.503 2.018 10 30 EEEELO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)C1(CC)CCCCC1 ZINC001691679353 1197484147 /nfs/dbraw/zinc/48/41/47/1197484147.db2.gz TVQJCKAGXMTIEA-DLBZAZTESA-N 1 2 347.503 2.018 10 30 EEEELO Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC[C@H](C#N)CCC#N)C1 ZINC000872226509 1198098196 /nfs/dbraw/zinc/09/81/96/1198098196.db2.gz MPJXEKHDSMBOHN-HKUYNNGSSA-N 1 2 326.444 2.229 10 30 EEEELO Cc1ccccc1C[N@H+]1CCO[C@@H](CNC[C@H](C#N)CCC#N)C1 ZINC000872226509 1198098203 /nfs/dbraw/zinc/09/82/03/1198098203.db2.gz MPJXEKHDSMBOHN-HKUYNNGSSA-N 1 2 326.444 2.229 10 30 EEEELO C#CC1(F)CN(C(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000878300804 1200383891 /nfs/dbraw/zinc/38/38/91/1200383891.db2.gz INZIORCHWCAFTB-HUUCEWRRSA-N 1 2 345.418 2.485 10 30 EEEELO C=C(Cl)C[C@H](NC(=O)Cc1cn2cccc(C)c2[nH+]1)C(=O)OCC ZINC000870028495 1200416355 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347.478 2.266 10 30 EEEELO C=CCCCC(=O)NCC1C[NH+]([C@@H]2CCN(c3ccccc3)C2=O)C1 ZINC001665323983 1355293370 /nfs/dbraw/zinc/29/33/70/1355293370.db2.gz AKMUXFTWZGXOAX-GOSISDBHSA-N 1 2 341.455 2.196 10 30 EEEELO C=C(C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H]1CCN(C(C)(C)C)C1=O ZINC001665392434 1355297485 /nfs/dbraw/zinc/29/74/85/1355297485.db2.gz NIVFNKHWDBPZHW-JYJNAYRXSA-N 1 2 333.476 2.027 10 30 EEEELO C=C(C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H]1CCN(C(C)(C)C)C1=O ZINC001665392434 1355297489 /nfs/dbraw/zinc/29/74/89/1355297489.db2.gz NIVFNKHWDBPZHW-JYJNAYRXSA-N 1 2 333.476 2.027 10 30 EEEELO C=C(C)CCC(=O)N(C)[C@H]1CC[N@H+](CC(=O)Nc2ccc(O)cc2)C1 ZINC001665637086 1355343437 /nfs/dbraw/zinc/34/34/37/1355343437.db2.gz OQNRJSXUMHLVOG-INIZCTEOSA-N 1 2 345.443 2.220 10 30 EEEELO C=C(C)CCC(=O)N(C)[C@H]1CC[N@@H+](CC(=O)Nc2ccc(O)cc2)C1 ZINC001665637086 1355343445 /nfs/dbraw/zinc/34/34/45/1355343445.db2.gz OQNRJSXUMHLVOG-INIZCTEOSA-N 1 2 345.443 2.220 10 30 EEEELO CC(C)c1nc(C[NH2+]CC[C@H]2CCCN(C(=O)[C@@H](C)C#N)C2)no1 ZINC001666087591 1355445501 /nfs/dbraw/zinc/44/55/01/1355445501.db2.gz IPGKXSIYZZCOND-UONOGXRCSA-N 1 2 333.436 2.071 10 30 EEEELO C=CCCCC(=O)NC[C@H]1C[N@H+](CCc2scnc2C)CCO1 ZINC001666718898 1355575536 /nfs/dbraw/zinc/57/55/36/1355575536.db2.gz BOJMYFNQEMOSTP-HNNXBMFYSA-N 1 2 337.489 2.167 10 30 EEEELO C=CCCCC(=O)NC[C@H]1C[N@@H+](CCc2scnc2C)CCO1 ZINC001666718898 1355575539 /nfs/dbraw/zinc/57/55/39/1355575539.db2.gz BOJMYFNQEMOSTP-HNNXBMFYSA-N 1 2 337.489 2.167 10 30 EEEELO C=CC[N@@H+]1CCO[C@H](CNC(=O)Cc2ccccc2OC(C)C)C1 ZINC001666724459 1355576598 /nfs/dbraw/zinc/57/65/98/1355576598.db2.gz HYWIUGWODAHXOH-QGZVFWFLSA-N 1 2 332.444 2.019 10 30 EEEELO C=CC[N@H+]1CCO[C@H](CNC(=O)Cc2ccccc2OC(C)C)C1 ZINC001666724459 1355576600 /nfs/dbraw/zinc/57/66/00/1355576600.db2.gz HYWIUGWODAHXOH-QGZVFWFLSA-N 1 2 332.444 2.019 10 30 EEEELO N#Cc1ccc(C[NH2+]C/C=C/CNC(=O)C(F)C(F)(F)F)cc1 ZINC001668833123 1356016013 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C=CCCC(=O)NC[C@@]1(C)CCC[N@@H+]([C@@H](C)c2nnnn2C2CC2)C1 ZINC001699870596 1405536251 /nfs/dbraw/zinc/53/62/51/1405536251.db2.gz JFRYETWJPQXRIK-KBXCAEBGSA-N 1 2 346.479 2.254 10 30 EEEELO C=CCCC(=O)NC[C@@]1(C)CCC[N@H+]([C@@H](C)c2nnnn2C2CC2)C1 ZINC001699870596 1405536256 /nfs/dbraw/zinc/53/62/56/1405536256.db2.gz JFRYETWJPQXRIK-KBXCAEBGSA-N 1 2 346.479 2.254 10 30 EEEELO CCn1c[nH+]cc1CN1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000888095899 777613630 /nfs/dbraw/zinc/61/36/30/777613630.db2.gz KIJSIMQEFJYKPS-GOSISDBHSA-N 1 2 327.407 2.425 10 30 EEEELO C#CC[NH+]1CC(N2CCN(C(=O)c3ccccc3C(C)(C)C)CC2)C1 ZINC000941448608 780545558 /nfs/dbraw/zinc/54/55/58/780545558.db2.gz FSKQOXKWBBRSEL-UHFFFAOYSA-N 1 2 339.483 2.059 10 30 EEEELO CC#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCC[C@H]3CCC)CC2)C1 ZINC000941465377 780574216 /nfs/dbraw/zinc/57/42/16/780574216.db2.gz OUTMEJRWTPXBOY-MJGOQNOKSA-N 1 2 331.504 2.055 10 30 EEEELO CC#CC[NH+]1CC(N2CCN(C(=O)c3ccc4ccccc4c3)CC2)C1 ZINC000941651251 780876438 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Cc1cc(NCCNc2ccc(Cl)c(C#N)n2)nc(C(C)C)[nH+]1 ZINC000528153692 467675015 /nfs/dbraw/zinc/67/50/15/467675015.db2.gz CFNWHOYJNUWFMX-UHFFFAOYSA-N 1 2 330.823 2.196 10 30 EEEELO CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCCc1cn(C)c[nH+]1 ZINC000457865226 467719793 /nfs/dbraw/zinc/71/97/93/467719793.db2.gz URGFUZWTLIMCMN-KRWDZBQOSA-N 1 2 326.400 2.054 10 30 EEEELO C[N@@H+]1CCOC[C@@H]1CNC(=O)c1cn(CCCC#N)c2ccccc12 ZINC000600421400 468552803 /nfs/dbraw/zinc/55/28/03/468552803.db2.gz OECTVBOHIUFVHZ-HNNXBMFYSA-N 1 2 340.427 2.005 10 30 EEEELO C[N@H+]1CCOC[C@@H]1CNC(=O)c1cn(CCCC#N)c2ccccc12 ZINC000600421400 468552807 /nfs/dbraw/zinc/55/28/07/468552807.db2.gz OECTVBOHIUFVHZ-HNNXBMFYSA-N 1 2 340.427 2.005 10 30 EEEELO Cn1ccnc1[C@H]([NH2+]C[C@H](O)CC1(C#N)CC1)c1ccccc1F ZINC000600720596 468634173 /nfs/dbraw/zinc/63/41/73/468634173.db2.gz ZPKDQMZOEMMNHD-CZUORRHYSA-N 1 2 328.391 2.293 10 30 EEEELO COc1ccc(C[NH+]2CCN(c3ncccc3C#N)CC2)c(F)c1 ZINC000583569042 468717842 /nfs/dbraw/zinc/71/78/42/468717842.db2.gz IKELATSZCWDPIC-UHFFFAOYSA-N 1 2 326.375 2.423 10 30 EEEELO CC(C)(CCn1cc(C[NH+]2CCOCC2)cc(C#N)c1=O)C1CC1 ZINC000594897237 468717947 /nfs/dbraw/zinc/71/79/47/468717947.db2.gz JMIOBXYIORVBOM-UHFFFAOYSA-N 1 2 329.444 2.378 10 30 EEEELO CC(C)(CNS(=O)(=O)c1ccc(Cl)c(C#N)c1)n1cc[nH+]c1 ZINC000601525761 468908240 /nfs/dbraw/zinc/90/82/40/468908240.db2.gz DLTFKPKCWHHRCB-UHFFFAOYSA-N 1 2 338.820 2.122 10 30 EEEELO CCNc1nc(N2Cc3cccc(C#N)c3C2)nc(NC(C)(C)C)[nH+]1 ZINC000593521468 469015386 /nfs/dbraw/zinc/01/53/86/469015386.db2.gz ZRKMFXSLKKXTDE-UHFFFAOYSA-N 1 2 337.431 2.328 10 30 EEEELO CCNc1nc(NC(C)(C)C)nc(N2Cc3cccc(C#N)c3C2)[nH+]1 ZINC000593521468 469015390 /nfs/dbraw/zinc/01/53/90/469015390.db2.gz ZRKMFXSLKKXTDE-UHFFFAOYSA-N 1 2 337.431 2.328 10 30 EEEELO CCNc1nc(NC(C)(C)C)[nH+]c(N2Cc3cccc(C#N)c3C2)n1 ZINC000593521468 469015395 /nfs/dbraw/zinc/01/53/95/469015395.db2.gz ZRKMFXSLKKXTDE-UHFFFAOYSA-N 1 2 337.431 2.328 10 30 EEEELO CC(C)NC(=O)[C@@H]1CCC[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000595851340 469044442 /nfs/dbraw/zinc/04/44/42/469044442.db2.gz RHWQPCHMYUBGQV-CQSZACIVSA-N 1 2 330.388 2.203 10 30 EEEELO CC(C)NC(=O)[C@@H]1CCC[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000595851340 469044448 /nfs/dbraw/zinc/04/44/48/469044448.db2.gz RHWQPCHMYUBGQV-CQSZACIVSA-N 1 2 330.388 2.203 10 30 EEEELO N#CCc1cccc2c1CCN(C(=O)N[C@H]1CCn3cc[nH+]c3C1)C2 ZINC000599035811 469093914 /nfs/dbraw/zinc/09/39/14/469093914.db2.gz NWTQMQSBAUVIHZ-INIZCTEOSA-N 1 2 335.411 2.032 10 30 EEEELO C=CCCCCCNC(=O)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000574771327 469279696 /nfs/dbraw/zinc/27/96/96/469279696.db2.gz RWRMHMTUGSAHMP-UHFFFAOYSA-N 1 2 344.459 2.029 10 30 EEEELO C=CCCSCCNS(=O)(=O)c1cccc2c1CC[N@@H+](C)C2 ZINC000603382615 469370137 /nfs/dbraw/zinc/37/01/37/469370137.db2.gz YMUPGRSBWJUWSM-UHFFFAOYSA-N 1 2 340.514 2.262 10 30 EEEELO C=CCCSCCNS(=O)(=O)c1cccc2c1CC[N@H+](C)C2 ZINC000603382615 469370144 /nfs/dbraw/zinc/37/01/44/469370144.db2.gz YMUPGRSBWJUWSM-UHFFFAOYSA-N 1 2 340.514 2.262 10 30 EEEELO C=CC[C@H]1CCCN(C(=O)c2ccc(C[NH+]3CCOCC3)cn2)C1 ZINC000617779796 469800785 /nfs/dbraw/zinc/80/07/85/469800785.db2.gz IXHRCAGFLBRDKE-INIZCTEOSA-N 1 2 329.444 2.342 10 30 EEEELO C=CC[C@H](C)NC(=O)c1ccc(NCC[NH+]2CCOCC2)c(F)c1 ZINC000631344129 470126605 /nfs/dbraw/zinc/12/66/05/470126605.db2.gz KUJFGMGBDLCXOD-AWEZNQCLSA-N 1 2 335.423 2.264 10 30 EEEELO C=CCCC(C)(C)CNC(=O)C(=O)NCc1[nH+]ccn1CC(C)C ZINC000636759571 470460646 /nfs/dbraw/zinc/46/06/46/470460646.db2.gz SLKULQPLEUWYEG-UHFFFAOYSA-N 1 2 334.464 2.264 10 30 EEEELO C=CCOCCCNC(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000660389536 471319957 /nfs/dbraw/zinc/31/99/57/471319957.db2.gz MRXOPPOQSWECQR-UHFFFAOYSA-N 1 2 332.448 2.464 10 30 EEEELO C=C(C)C[C@@H](NC(C)=O)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000666199069 472343218 /nfs/dbraw/zinc/34/32/18/472343218.db2.gz YYUGFDLOEMVWEK-GOSISDBHSA-N 1 2 340.427 2.019 10 30 EEEELO C#CCOc1ccccc1C[N@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000091936783 490595948 /nfs/dbraw/zinc/59/59/48/490595948.db2.gz 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C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2noc3c2COCC3)CC1(C)C ZINC001485573554 1191851573 /nfs/dbraw/zinc/85/15/73/1191851573.db2.gz CAEHRMOWFICSIL-MRXNPFEDSA-N 1 2 347.459 2.286 10 30 EEEELO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2noc3c2COCC3)CC1(C)C ZINC001485573554 1191851574 /nfs/dbraw/zinc/85/15/74/1191851574.db2.gz CAEHRMOWFICSIL-MRXNPFEDSA-N 1 2 347.459 2.286 10 30 EEEELO CC(C)C#CC(=O)NCC[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1Cl ZINC001480862112 1176049462 /nfs/dbraw/zinc/04/94/62/1176049462.db2.gz JLMWIMZXOKYMTB-AWEZNQCLSA-N 1 2 349.862 2.374 10 30 EEEELO CC(C)C#CC(=O)NCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1Cl ZINC001480862112 1176049469 /nfs/dbraw/zinc/04/94/69/1176049469.db2.gz JLMWIMZXOKYMTB-AWEZNQCLSA-N 1 2 349.862 2.374 10 30 EEEELO C#Cc1cccc(NC(=O)C[N@H+](C)CCNC(=O)[C@@H]2CCC2(C)C)c1 ZINC001772510638 1176148466 /nfs/dbraw/zinc/14/84/66/1176148466.db2.gz IURJTXNVDKVLFP-KRWDZBQOSA-N 1 2 341.455 2.091 10 30 EEEELO C#Cc1cccc(NC(=O)C[N@@H+](C)CCNC(=O)[C@@H]2CCC2(C)C)c1 ZINC001772510638 1176148475 /nfs/dbraw/zinc/14/84/75/1176148475.db2.gz IURJTXNVDKVLFP-KRWDZBQOSA-N 1 2 341.455 2.091 10 30 EEEELO C=CCC(C)(C)C(=O)NCC[N@@H+](C)CC(=O)Nc1ccc(F)cc1 ZINC001266329692 1176310224 /nfs/dbraw/zinc/31/02/24/1176310224.db2.gz DIHFFPIAWHMZIM-UHFFFAOYSA-N 1 2 335.423 2.415 10 30 EEEELO C=CCC(C)(C)C(=O)NCC[N@H+](C)CC(=O)Nc1ccc(F)cc1 ZINC001266329692 1176310236 /nfs/dbraw/zinc/31/02/36/1176310236.db2.gz DIHFFPIAWHMZIM-UHFFFAOYSA-N 1 2 335.423 2.415 10 30 EEEELO C=CCCCC(=O)N[C@@H]1CC[N@@H+](Cc2ccn(CC(F)(F)F)n2)C1 ZINC001266339724 1176331614 /nfs/dbraw/zinc/33/16/14/1176331614.db2.gz WJLMCNLLINBGNZ-CYBMUJFWSA-N 1 2 344.381 2.492 10 30 EEEELO C=CCCCC(=O)N[C@@H]1CC[N@H+](Cc2ccn(CC(F)(F)F)n2)C1 ZINC001266339724 1176331626 /nfs/dbraw/zinc/33/16/26/1176331626.db2.gz WJLMCNLLINBGNZ-CYBMUJFWSA-N 1 2 344.381 2.492 10 30 EEEELO C#Cc1cccc(NC(=O)C[N@@H+](C)CCNC(=O)[C@H](C)[C@H](C)CC)c1 ZINC001266342675 1176341961 /nfs/dbraw/zinc/34/19/61/1176341961.db2.gz UDKYCQVGFCQEDL-HZPDHXFCSA-N 1 2 343.471 2.337 10 30 EEEELO C#Cc1cccc(NC(=O)C[N@H+](C)CCNC(=O)[C@H](C)[C@H](C)CC)c1 ZINC001266342675 1176341969 /nfs/dbraw/zinc/34/19/69/1176341969.db2.gz UDKYCQVGFCQEDL-HZPDHXFCSA-N 1 2 343.471 2.337 10 30 EEEELO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@H]1CNC(=O)C1CCCC1 ZINC001670601855 1176938781 /nfs/dbraw/zinc/93/87/81/1176938781.db2.gz VYJBFNCTTMXKNM-RDJZCZTQSA-N 1 2 335.492 2.180 10 30 EEEELO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CC[C@H]1CNC(=O)C1CCCC1 ZINC001670601855 1176938787 /nfs/dbraw/zinc/93/87/87/1176938787.db2.gz VYJBFNCTTMXKNM-RDJZCZTQSA-N 1 2 335.492 2.180 10 30 EEEELO C=CCCC(=O)NC[C@@H]1CC[N@H+]1CC(=O)N(CC)C1CCCCC1 ZINC001670619140 1176950429 /nfs/dbraw/zinc/95/04/29/1176950429.db2.gz XKFKDJHYNZSHQT-KRWDZBQOSA-N 1 2 335.492 2.324 10 30 EEEELO C=CCCC(=O)NC[C@@H]1CC[N@@H+]1CC(=O)N(CC)C1CCCCC1 ZINC001670619140 1176950433 /nfs/dbraw/zinc/95/04/33/1176950433.db2.gz XKFKDJHYNZSHQT-KRWDZBQOSA-N 1 2 335.492 2.324 10 30 EEEELO C#CCCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2nnc(C)n2C2CC2)C1 ZINC001266749314 1177344748 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CRFYVSSMYYPREB-QFBILLFUSA-N 1 2 349.475 2.371 10 30 EEEELO C=C[C@](C)(CC)C(=O)N1CCC[C@H]([N@@H+](CCO)Cc2nocc2C)C1 ZINC001656779567 1354275171 /nfs/dbraw/zinc/27/51/71/1354275171.db2.gz CRFYVSSMYYPREB-QFBILLFUSA-N 1 2 349.475 2.371 10 30 EEEELO C#CC[NH2+]Cc1nc2c(s1)CCN(C(=O)C[C@@H]1C=CCCC1)C2 ZINC001657086805 1354320682 /nfs/dbraw/zinc/32/06/82/1354320682.db2.gz NQWPXRJHPOBWGS-CQSZACIVSA-N 1 2 329.469 2.497 10 30 EEEELO C#CC[NH2+]Cc1nc2c(s1)CCN(C(=O)c1occ3c1CCC3)C2 ZINC001657086797 1354320727 /nfs/dbraw/zinc/32/07/27/1354320727.db2.gz NKTSPUOLPWGGIE-UHFFFAOYSA-N 1 2 341.436 2.146 10 30 EEEELO C=CCCn1cc(C[NH2+]Cc2c(F)cccc2-n2cccn2)nn1 ZINC001657974037 1354350848 /nfs/dbraw/zinc/35/08/48/1354350848.db2.gz MZULUHCRUDCQOE-UHFFFAOYSA-N 1 2 326.379 2.469 10 30 EEEELO C=C(C)[C@@H](CC(=O)N(C)C1CC[NH+](Cc2ncccn2)CC1)OCC ZINC001660775786 1354536272 /nfs/dbraw/zinc/53/62/72/1354536272.db2.gz GQEGNSDCJSANBQ-QGZVFWFLSA-N 1 2 346.475 2.271 10 30 EEEELO C=CCOCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC001661866753 1354713396 /nfs/dbraw/zinc/71/33/96/1354713396.db2.gz TZXZTHCSRJJTNK-HZPDHXFCSA-N 1 2 346.475 2.003 10 30 EEEELO C=CCOCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC001661866753 1354713397 /nfs/dbraw/zinc/71/33/97/1354713397.db2.gz TZXZTHCSRJJTNK-HZPDHXFCSA-N 1 2 346.475 2.003 10 30 EEEELO C[N@H+](Cc1coc(C2CC2)n1)[C@@H]1CCCN(C(=O)CSCC#N)C1 ZINC001662823576 1354854950 /nfs/dbraw/zinc/85/49/50/1354854950.db2.gz VXAPBGDMJGJBON-OAHLLOKOSA-N 1 2 348.472 2.232 10 30 EEEELO C[N@@H+](Cc1coc(C2CC2)n1)[C@@H]1CCCN(C(=O)CSCC#N)C1 ZINC001662823576 1354854953 /nfs/dbraw/zinc/85/49/53/1354854953.db2.gz VXAPBGDMJGJBON-OAHLLOKOSA-N 1 2 348.472 2.232 10 30 EEEELO C=CCOCC(=O)NC[C@@H]1CCC[N@H+]1CC#Cc1ccccc1Cl ZINC001663475634 1354966880 /nfs/dbraw/zinc/96/68/80/1354966880.db2.gz FVEDISFQQPFJLZ-KRWDZBQOSA-N 1 2 346.858 2.475 10 30 EEEELO C=CCOCC(=O)NC[C@@H]1CCC[N@@H+]1CC#Cc1ccccc1Cl ZINC001663475634 1354966883 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EEEELO C=CCCCC(=O)NC1(C[NH2+]Cc2nnn(C(C)(C)C)n2)CCCC1 ZINC001665944092 1355413804 /nfs/dbraw/zinc/41/38/04/1355413804.db2.gz AUGKUXPZNVGRMH-UHFFFAOYSA-N 1 2 348.495 2.303 10 30 EEEELO CCc1nc(C[NH2+]C[C@@](C)(NC(=O)C#CC(C)(C)C)C2CC2)no1 ZINC001665996110 1355422144 /nfs/dbraw/zinc/42/21/44/1355422144.db2.gz PXZVZFPKZDNPJH-GOSISDBHSA-N 1 2 332.448 2.056 10 30 EEEELO CC(C)c1cnc(C[NH2+]C/C=C\CNC(=O)c2ccc(C#N)[nH]2)o1 ZINC001668779800 1356003233 /nfs/dbraw/zinc/00/32/33/1356003233.db2.gz LLOGLTNCYJQHAJ-ARJAWSKDSA-N 1 2 327.388 2.074 10 30 EEEELO C#CCN(C(=O)CC1CCC1)C1CC[NH+](Cc2ncccn2)CC1 ZINC001671465426 1356343674 /nfs/dbraw/zinc/34/36/74/1356343674.db2.gz UDLYZKWHEIUQKS-UHFFFAOYSA-N 1 2 326.444 2.093 10 30 EEEELO C#CCN(C(=O)[C@@H]1CC1(C)C)C1CC[NH+](Cc2ncc(C)cn2)CC1 ZINC001671469601 1356344326 /nfs/dbraw/zinc/34/43/26/1356344326.db2.gz NDLXSPAZJIWCCF-KRWDZBQOSA-N 1 2 340.471 2.257 10 30 EEEELO C=C[C@@H](CC)CC(=O)N1C[C@@H]2C[N@@H+](Cc3nnc(C)s3)C[C@@H]2C1 ZINC001672429150 1356521293 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C#CCCCCC(=O)NC[C@@H]1CCCCC[N@@H+]1Cc1cn(CC)nn1 ZINC001675252932 1356951911 /nfs/dbraw/zinc/95/19/11/1356951911.db2.gz HXVGFNWRYPPBDN-SFHVURJKSA-N 1 2 345.491 2.352 10 30 EEEELO C=C(C)CCC(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3csc(COC)n3)C[C@H]21 ZINC001675522803 1357000644 /nfs/dbraw/zinc/00/06/44/1357000644.db2.gz SHUJFIFBEXJKKQ-PHZGNYQRSA-N 1 2 349.500 2.440 10 30 EEEELO C=C(C)CCC(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3csc(COC)n3)C[C@H]21 ZINC001675522803 1357000650 /nfs/dbraw/zinc/00/06/50/1357000650.db2.gz SHUJFIFBEXJKKQ-PHZGNYQRSA-N 1 2 349.500 2.440 10 30 EEEELO CC#CCCCC(=O)N(C)C[C@@H](C)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001680131702 1357804453 /nfs/dbraw/zinc/80/44/53/1357804453.db2.gz LNMQQHSCNUYDNI-MRXNPFEDSA-N 1 2 346.475 2.083 10 30 EEEELO C=C1CCC(C(=O)N[C@@H](C)C[C@H](C)NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001681579602 1358035603 /nfs/dbraw/zinc/03/56/03/1358035603.db2.gz XHGKFYLJSCQFTA-KBPBESRZSA-N 1 2 332.448 2.098 10 30 EEEELO C#CCCCCCC(=O)N[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)[C@@H]1C ZINC001685352004 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C=CCCC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)Cc2ccco2)CC1(C)C ZINC001506729531 1114841010 /nfs/dbraw/zinc/84/10/10/1114841010.db2.gz NDKBINNEVMMHME-MRXNPFEDSA-N 1 2 347.459 2.031 10 30 EEEELO C#CCCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2nnc(CC)o2)CC1(C)C ZINC001506737950 1114847987 /nfs/dbraw/zinc/84/79/87/1114847987.db2.gz SXZSNPPLXGYMMU-UONOGXRCSA-N 1 2 332.448 2.323 10 30 EEEELO C#CCCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)c2nnc(CC)o2)CC1(C)C ZINC001506737950 1114847990 /nfs/dbraw/zinc/84/79/90/1114847990.db2.gz SXZSNPPLXGYMMU-UONOGXRCSA-N 1 2 332.448 2.323 10 30 EEEELO CCc1noc([C@H](C)[N@@H+]2CC[C@@]3(NC(=O)C#CC(C)C)CCC[C@H]23)n1 ZINC001507345282 1115208055 /nfs/dbraw/zinc/20/80/55/1115208055.db2.gz MQCVMXLRBSTNDU-DOXZYTNZSA-N 1 2 344.459 2.466 10 30 EEEELO CCc1noc([C@H](C)[N@H+]2CC[C@@]3(NC(=O)C#CC(C)C)CCC[C@H]23)n1 ZINC001507345282 1115208058 /nfs/dbraw/zinc/20/80/58/1115208058.db2.gz MQCVMXLRBSTNDU-DOXZYTNZSA-N 1 2 344.459 2.466 10 30 EEEELO CCC(C)(C)NC(=O)C[N@@H+]1CCC[C@H](NC(=O)C#CC(C)(C)C)[C@@H]1C 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C=CCn1c([C@@H]2C[C@H](O)C[N@H+]2C)nnc1N1CCC[C@@H](C(C)C)C1 ZINC001520289596 1119143466 /nfs/dbraw/zinc/14/34/66/1119143466.db2.gz OGZWSHFANSECBK-PMPSAXMXSA-N 1 2 333.480 2.074 10 30 EEEELO C=CCCC(=O)N[C@@H]1CCCCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001520437897 1119163704 /nfs/dbraw/zinc/16/37/04/1119163704.db2.gz ZGTXOIKSSHQCGA-MRXNPFEDSA-N 1 2 332.448 2.127 10 30 EEEELO C=C(C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001522155513 1119333446 /nfs/dbraw/zinc/33/34/46/1119333446.db2.gz IFEIMAIDFPJVKL-ORQFMDKSSA-N 1 2 344.459 2.193 10 30 EEEELO C=C(C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001522155513 1119333449 /nfs/dbraw/zinc/33/34/49/1119333449.db2.gz IFEIMAIDFPJVKL-ORQFMDKSSA-N 1 2 344.459 2.193 10 30 EEEELO C=C(C)CCC(=O)N[C@H](CNC(=O)C(C)(C)n1c[nH+]c(C)c1)C1CC1 ZINC001524450704 1120119563 /nfs/dbraw/zinc/11/95/63/1120119563.db2.gz RYVGJAFFHOOPMW-MRXNPFEDSA-N 1 2 346.475 2.294 10 30 EEEELO C=C(C)CCC(=O)N[C@H](C)[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001526076830 1120426274 /nfs/dbraw/zinc/42/62/74/1120426274.db2.gz VQWFDSJCBAZRSK-HZPDHXFCSA-N 1 2 346.475 2.442 10 30 EEEELO C=C(C)CCC(=O)N[C@H](C)[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001526076830 1120426275 /nfs/dbraw/zinc/42/62/75/1120426275.db2.gz VQWFDSJCBAZRSK-HZPDHXFCSA-N 1 2 346.475 2.442 10 30 EEEELO C=CCC1(C(=O)NCCN(C)C(=O)C[C@@H](C)n2cc[nH+]c2)CCC1 ZINC001528614397 1121090999 /nfs/dbraw/zinc/09/09/99/1121090999.db2.gz NPVBSICLLHQMPC-OAHLLOKOSA-N 1 2 332.448 2.155 10 30 EEEELO C=CC(C)(C)C(=O)N(CCC)CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001529597495 1121492282 /nfs/dbraw/zinc/49/22/82/1121492282.db2.gz CQFBHWILIWKKGZ-OAHLLOKOSA-N 1 2 346.475 2.013 10 30 EEEELO C=C1CCC(C(=O)NC[C@@H](CC)NC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001531462441 1122413780 /nfs/dbraw/zinc/41/37/80/1122413780.db2.gz VYKZCPRCLMHMQE-OAHLLOKOSA-N 1 2 332.448 2.100 10 30 EEEELO C=C1CCC(C(=O)NC[C@@H](CC)NC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001531462441 1122413781 /nfs/dbraw/zinc/41/37/81/1122413781.db2.gz VYKZCPRCLMHMQE-OAHLLOKOSA-N 1 2 332.448 2.100 10 30 EEEELO C=CC(C)(C)C(=O)NC1(CNC(=O)CCn2cc[nH+]c2)CCCC1 ZINC001532384438 1122729598 /nfs/dbraw/zinc/72/95/98/1122729598.db2.gz DCXUCXXHAHZPIK-UHFFFAOYSA-N 1 2 332.448 2.031 10 30 EEEELO C=CCCCC(=O)N1CC[C@@H]2[C@H](CCN2C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001533062106 1123056183 /nfs/dbraw/zinc/05/61/83/1123056183.db2.gz YMEFIVBASVYRHZ-NVXWUHKLSA-N 1 2 344.459 2.066 10 30 EEEELO C=CCCC(=O)N1CC[C@@H]([C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001536064672 1123643366 /nfs/dbraw/zinc/64/33/66/1123643366.db2.gz ANRWNHATYQSGPR-SJORKVTESA-N 1 2 344.459 2.079 10 30 EEEELO N#Cc1ccc(Cn2cc(NC(=O)CCCn3cc[nH+]c3)cn2)cc1 ZINC001536218261 1123665339 /nfs/dbraw/zinc/66/53/39/1123665339.db2.gz PTWNNJQSOJLHKA-UHFFFAOYSA-N 1 2 334.383 2.418 10 30 EEEELO C=C(C)C[C@@H](C)C(=O)NC[C@H](NC(=O)Cc1[nH]cc[nH+]1)C1CCCC1 ZINC001536704209 1123781887 /nfs/dbraw/zinc/78/18/87/1123781887.db2.gz GMHNOWANNBZIES-ZBFHGGJFSA-N 1 2 346.475 2.346 10 30 EEEELO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)c2ccc(CCC)s2)C1 ZINC001567891855 1124160595 /nfs/dbraw/zinc/16/05/95/1124160595.db2.gz WTQSXTICPDAGHR-ZIAGYGMSSA-N 1 2 349.500 2.195 10 30 EEEELO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)c2ccc(CCC)s2)C1 ZINC001567891855 1124160600 /nfs/dbraw/zinc/16/06/00/1124160600.db2.gz WTQSXTICPDAGHR-ZIAGYGMSSA-N 1 2 349.500 2.195 10 30 EEEELO C=C[C@](C)(O)CC(=O)N(C)[C@H]1CC[N@H+](Cc2csc(C3CC3)n2)C1 ZINC001567911121 1124173035 /nfs/dbraw/zinc/17/30/35/1124173035.db2.gz LVODTKSZGDGJRV-YJBOKZPZSA-N 1 2 349.500 2.380 10 30 EEEELO C=C[C@](C)(O)CC(=O)N(C)[C@H]1CC[N@@H+](Cc2csc(C3CC3)n2)C1 ZINC001567911121 1124173036 /nfs/dbraw/zinc/17/30/36/1124173036.db2.gz LVODTKSZGDGJRV-YJBOKZPZSA-N 1 2 349.500 2.380 10 30 EEEELO C=C[C@H](CC)CC(=O)N(C)[C@H]1CC[N@H+](Cc2cncc(OC)n2)C1 ZINC001567920775 1124180555 /nfs/dbraw/zinc/18/05/55/1124180555.db2.gz KPNXLPQXXSOJBY-ZBFHGGJFSA-N 1 2 332.448 2.120 10 30 EEEELO C=C[C@H](CC)CC(=O)N(C)[C@H]1CC[N@@H+](Cc2cncc(OC)n2)C1 ZINC001567920775 1124180559 /nfs/dbraw/zinc/18/05/59/1124180559.db2.gz KPNXLPQXXSOJBY-ZBFHGGJFSA-N 1 2 332.448 2.120 10 30 EEEELO CCCc1nc(C[NH2+]CC[C@H]2CCCN(C(=O)C#CC(C)C)C2)no1 ZINC001568057946 1124263623 /nfs/dbraw/zinc/26/36/23/1124263623.db2.gz ZGJFTQZAOPQGHQ-MRXNPFEDSA-N 1 2 346.475 2.400 10 30 EEEELO C=CCC[C@@H](C)[N@@H+]1CCO[C@@H](CNC(=O)c2[nH]nc3c2CCCC3)C1 ZINC001568221794 1124366326 /nfs/dbraw/zinc/36/63/26/1124366326.db2.gz USBZNSCBNFQWFF-CABCVRRESA-N 1 2 346.475 2.074 10 30 EEEELO C=CCC[C@@H](C)[N@H+]1CCO[C@@H](CNC(=O)c2[nH]nc3c2CCCC3)C1 ZINC001568221794 1124366328 /nfs/dbraw/zinc/36/63/28/1124366328.db2.gz USBZNSCBNFQWFF-CABCVRRESA-N 1 2 346.475 2.074 10 30 EEEELO C=C[C@@](C)(O)CC(=O)NC/C=C\C[NH2+]Cc1ncc(C(C)(C)C)o1 ZINC001568843684 1124863219 /nfs/dbraw/zinc/86/32/19/1124863219.db2.gz RJOWUKONBYRENE-JTHGQSKGSA-N 1 2 335.448 2.061 10 30 EEEELO C#Cc1cccc(NC(=O)C[N@@H+](C)C[C@H](C)NC(=O)[C@@H](F)C(C)C)c1 ZINC001569133323 1125118346 /nfs/dbraw/zinc/11/83/46/1125118346.db2.gz QORGIDVEGKCFIS-KSSFIOAISA-N 1 2 347.434 2.037 10 30 EEEELO C#Cc1cccc(NC(=O)C[N@H+](C)C[C@H](C)NC(=O)[C@@H](F)C(C)C)c1 ZINC001569133323 1125118351 /nfs/dbraw/zinc/11/83/51/1125118351.db2.gz QORGIDVEGKCFIS-KSSFIOAISA-N 1 2 347.434 2.037 10 30 EEEELO CC(C)C#CC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2nnsc2Cl)C1 ZINC001565894209 1125450958 /nfs/dbraw/zinc/45/09/58/1125450958.db2.gz WLYDLIITYGVCFG-NWDGAFQWSA-N 1 2 340.880 2.225 10 30 EEEELO N#Cc1cccnc1N1CC[NH+]([C@@H]2CCc3ccccc3NC2=O)CC1 ZINC000191881664 283218497 /nfs/dbraw/zinc/21/84/97/283218497.db2.gz PMRGOBGPIPUXEY-GOSISDBHSA-N 1 2 347.422 2.029 10 30 EEEELO Cn1c(C#N)ccc1C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000451463465 243123888 /nfs/dbraw/zinc/12/38/88/243123888.db2.gz DHZCNRNQGCSKGO-AWEZNQCLSA-N 1 2 337.427 2.449 10 30 EEEELO C=CCN(C)C(=O)C(=O)N1CC[NH+]([C@@H](C)c2ccccc2Cl)CC1 ZINC000459906586 245280375 /nfs/dbraw/zinc/28/03/75/245280375.db2.gz JYTHUNRMRHOIRS-AWEZNQCLSA-N 1 2 349.862 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349.479 2.207 10 30 EEEELO C=CCCC(=O)N1CCCC[C@@]2(CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001299491694 1205301514 /nfs/dbraw/zinc/30/15/14/1205301514.db2.gz HDLKXVBDOOKIMC-LJQANCHMSA-N 1 2 344.459 2.150 10 30 EEEELO CC(C)C#CC(=O)N[C@H](C)C[N@H+](C)CC(=O)Nc1ccc(Cl)cc1 ZINC001275552539 1205407806 /nfs/dbraw/zinc/40/78/06/1205407806.db2.gz SMJAWDUFKVCQKY-CQSZACIVSA-N 1 2 349.862 2.374 10 30 EEEELO CC(C)C#CC(=O)N[C@H](C)C[N@@H+](C)CC(=O)Nc1ccc(Cl)cc1 ZINC001275552539 1205407808 /nfs/dbraw/zinc/40/78/08/1205407808.db2.gz SMJAWDUFKVCQKY-CQSZACIVSA-N 1 2 349.862 2.374 10 30 EEEELO CCc1ccc(NC(=O)C[N@H+](C)C[C@@H](C)NC(=O)C#CC2CC2)cc1 ZINC001275552771 1205408378 /nfs/dbraw/zinc/40/83/78/1205408378.db2.gz SVDLGQCZERDNRM-OAHLLOKOSA-N 1 2 341.455 2.037 10 30 EEEELO CCc1ccc(NC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)C#CC2CC2)cc1 ZINC001275552771 1205408379 /nfs/dbraw/zinc/40/83/79/1205408379.db2.gz SVDLGQCZERDNRM-OAHLLOKOSA-N 1 2 341.455 2.037 10 30 EEEELO C=C[C@](C)(O)CC(=O)NC[C@@H](C)[N@H+](C)Cc1cc(O)ccc1Cl 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Cn1nccc1[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000328980693 465191200 /nfs/dbraw/zinc/19/12/00/465191200.db2.gz RMDGFQOSLWWRCC-XHBSWPGZSA-N 1 2 329.404 2.125 10 30 EEEELO Cn1nccc1[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000328980693 465191204 /nfs/dbraw/zinc/19/12/04/465191204.db2.gz RMDGFQOSLWWRCC-XHBSWPGZSA-N 1 2 329.404 2.125 10 30 EEEELO C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C#N)nc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000127691189 462575149 /nfs/dbraw/zinc/57/51/49/462575149.db2.gz NODCVPJNASOOLQ-SJORKVTESA-N 1 2 342.349 2.407 10 30 EEEELO C[N@H+]1CC[C@@H](NC(=O)c2ccc(C#N)nc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000127691189 462575153 /nfs/dbraw/zinc/57/51/53/462575153.db2.gz NODCVPJNASOOLQ-SJORKVTESA-N 1 2 342.349 2.407 10 30 EEEELO COc1c(C)cc(CN(CCC#N)CC[NH+]2CCOCC2)cc1C ZINC000154769693 462807607 /nfs/dbraw/zinc/80/76/07/462807607.db2.gz OEHHPFMWFOXJEI-UHFFFAOYSA-N 1 2 331.460 2.360 10 30 EEEELO COc1c(C)cc(C[N@H+](CCC#N)CCN2CCOCC2)cc1C ZINC000154769693 462807610 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CCN(CC)C(=O)[C@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000579598115 468383392 /nfs/dbraw/zinc/38/33/92/468383392.db2.gz QZPLVQFGLVYTFI-OAHLLOKOSA-N 1 2 330.388 2.299 10 30 EEEELO CCN(CC)C(=O)[C@H]1CCC[N@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000579598115 468383400 /nfs/dbraw/zinc/38/34/00/468383400.db2.gz QZPLVQFGLVYTFI-OAHLLOKOSA-N 1 2 330.388 2.299 10 30 EEEELO C[N@@H+]1CC[C@@H](NC(=O)c2cc(C#N)ccn2)[C@@H]1c1ccc(F)c(F)c1 ZINC000283572692 463929230 /nfs/dbraw/zinc/92/92/30/463929230.db2.gz WKSARVLAQREART-WBVHZDCISA-N 1 2 342.349 2.407 10 30 EEEELO C[N@H+]1CC[C@@H](NC(=O)c2cc(C#N)ccn2)[C@@H]1c1ccc(F)c(F)c1 ZINC000283572692 463929234 /nfs/dbraw/zinc/92/92/34/463929234.db2.gz WKSARVLAQREART-WBVHZDCISA-N 1 2 342.349 2.407 10 30 EEEELO C[NH+](C)CCCN(CCC#N)C(=O)c1cc(F)c(O)c(Cl)c1 ZINC000278264717 463959273 /nfs/dbraw/zinc/95/92/73/463959273.db2.gz YBYSSNKJUBWILY-UHFFFAOYSA-N 1 2 327.787 2.492 10 30 EEEELO N#Cc1ccccc1Cn1cccc1C[N@@H+]1CCOC[C@@]12CCOC2 ZINC000195019192 463976710 /nfs/dbraw/zinc/97/67/10/463976710.db2.gz GKUXRHBNDMKPND-FQEVSTJZSA-N 1 2 337.423 2.399 10 30 EEEELO N#Cc1ccccc1Cn1cccc1C[N@H+]1CCOC[C@@]12CCOC2 ZINC000195019192 463976716 /nfs/dbraw/zinc/97/67/16/463976716.db2.gz GKUXRHBNDMKPND-FQEVSTJZSA-N 1 2 337.423 2.399 10 30 EEEELO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000279259948 464081516 /nfs/dbraw/zinc/08/15/16/464081516.db2.gz IDBHNIVKVUBPSN-OAHLLOKOSA-N 1 2 327.428 2.034 10 30 EEEELO C=C(C)[C@H](NC(=O)NC[C@H]1C[N@H+](C)CCO1)c1ccc(F)c(F)c1 ZINC000187813311 464165296 /nfs/dbraw/zinc/16/52/96/464165296.db2.gz IKBRGIQFKOZMRO-BBRMVZONSA-N 1 2 339.386 2.212 10 30 EEEELO C=C(C)[C@H](NC(=O)NC[C@H]1C[N@@H+](C)CCO1)c1ccc(F)c(F)c1 ZINC000187813311 464165299 /nfs/dbraw/zinc/16/52/99/464165299.db2.gz IKBRGIQFKOZMRO-BBRMVZONSA-N 1 2 339.386 2.212 10 30 EEEELO N#CC1(c2ccc(C(=O)N3CCC[C@@H]3C[NH+]3CCOCC3)cc2)CC1 ZINC000180478757 464318733 /nfs/dbraw/zinc/31/87/33/464318733.db2.gz NLJRUWCTSXMGLY-GOSISDBHSA-N 1 2 339.439 2.179 10 30 EEEELO Cn1nccc1[C@H]1CCCC[N@@H+]1CC(=O)NCc1ccc(C#N)cc1 ZINC000281226241 464378093 /nfs/dbraw/zinc/37/80/93/464378093.db2.gz BZHZAWORTJDPSH-GOSISDBHSA-N 1 2 337.427 2.135 10 30 EEEELO Cn1nccc1[C@H]1CCCC[N@H+]1CC(=O)NCc1ccc(C#N)cc1 ZINC000281226241 464378101 /nfs/dbraw/zinc/37/81/01/464378101.db2.gz BZHZAWORTJDPSH-GOSISDBHSA-N 1 2 337.427 2.135 10 30 EEEELO CC(=O)NC(C)(C)C(N)=[NH+]OCc1csc(Br)c1 ZINC000264773956 464460062 /nfs/dbraw/zinc/46/00/62/464460062.db2.gz HAJWAASRZJQIQG-UHFFFAOYSA-N 1 2 334.239 2.214 10 30 EEEELO C[C@H](C#N)Oc1ccc(C[N@@H+]2Cc3ccccc3C[C@H]2C(N)=O)cc1 ZINC000245504157 464489084 /nfs/dbraw/zinc/48/90/84/464489084.db2.gz JOWTXNNWIYGNBB-KUHUBIRLSA-N 1 2 335.407 2.390 10 30 EEEELO C[C@H](C#N)Oc1ccc(C[N@H+]2Cc3ccccc3C[C@H]2C(N)=O)cc1 ZINC000245504157 464489086 /nfs/dbraw/zinc/48/90/86/464489086.db2.gz JOWTXNNWIYGNBB-KUHUBIRLSA-N 1 2 335.407 2.390 10 30 EEEELO CC1(C#N)CC[NH+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC1 ZINC000272611982 464678641 /nfs/dbraw/zinc/67/86/41/464678641.db2.gz SLYMVFDIVKSKCI-UHFFFAOYSA-N 1 2 348.410 2.308 10 30 EEEELO Cn1cc(C#N)cc1C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000176867007 464870460 /nfs/dbraw/zinc/87/04/60/464870460.db2.gz WOFYLTDMOWOSSZ-UHFFFAOYSA-N 1 2 335.367 2.425 10 30 EEEELO CN(C)C=[NH+]c1c(C#N)cnn1-c1ncnc2sc3c(c21)CCC3 ZINC000252512300 464976811 /nfs/dbraw/zinc/97/68/11/464976811.db2.gz PDACNBQPPQQYIJ-UHFFFAOYSA-N 1 2 337.412 2.459 10 30 EEEELO C=CCNC(=O)c1ccc(NCc2[nH+]ccn2CC(F)(F)F)nc1 ZINC000359492603 465413144 /nfs/dbraw/zinc/41/31/44/465413144.db2.gz AIMMGCXKHFLXSF-UHFFFAOYSA-N 1 2 339.321 2.368 10 30 EEEELO Cc1nc(N2CCC(C)(C#N)CC2)nc(N2CCC(C)(C#N)CC2)[nH+]1 ZINC000359813658 465492748 /nfs/dbraw/zinc/49/27/48/465492748.db2.gz ZJWNWCGNGCKBRR-UHFFFAOYSA-N 1 2 339.447 2.440 10 30 EEEELO N#C[C@H](c1cccc(Cl)c1)N1CC[NH+](C[C@H](O)C(F)(F)F)CC1 ZINC000348309039 465543412 /nfs/dbraw/zinc/54/34/12/465543412.db2.gz SUNUREGFWPXLMO-KGLIPLIRSA-N 1 2 347.768 2.445 10 30 EEEELO Cn1cc[nH+]c1CN1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000348320568 465549169 /nfs/dbraw/zinc/54/91/69/465549169.db2.gz NRIQPJXBXKPNIA-INIZCTEOSA-N 1 2 329.835 2.456 10 30 EEEELO O=C(N[C@@H]1CCn2cc[nH+]c2C1)[C@H]1CSCN1C(=O)C1CCCC1 ZINC000330288173 465599390 /nfs/dbraw/zinc/59/93/90/465599390.db2.gz BMPGYKOJYDCGOB-ZIAGYGMSSA-N 1 2 348.472 2.246 10 30 EEEELO C=CCn1c(-c2ccoc2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000337840227 465619936 /nfs/dbraw/zinc/61/99/36/465619936.db2.gz FELGDPNNZGXRCD-UHFFFAOYSA-N 1 2 336.399 2.446 10 30 EEEELO N#Cc1ccc2[nH+]cc(CN3CCN(c4cccc(F)c4)C(=O)C3)n2c1 ZINC000361264241 465871287 /nfs/dbraw/zinc/87/12/87/465871287.db2.gz YHDIZWJNUCXBMC-UHFFFAOYSA-N 1 2 349.369 2.194 10 30 EEEELO N#Cc1cc(NCc2ccc[nH+]c2N2CCOCC2)nc2ccccc12 ZINC000346411022 466095066 /nfs/dbraw/zinc/09/50/66/466095066.db2.gz LMXVEAGFFPTVOV-UHFFFAOYSA-N 1 2 345.406 2.950 10 30 EEEELO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000372330101 466308247 /nfs/dbraw/zinc/30/82/47/466308247.db2.gz DUUIUBQOIJSVQO-KDOFPFPSSA-N 1 2 338.411 2.358 10 30 EEEELO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000372330101 466308252 /nfs/dbraw/zinc/30/82/52/466308252.db2.gz DUUIUBQOIJSVQO-KDOFPFPSSA-N 1 2 338.411 2.358 10 30 EEEELO C[NH+](C)C[C@](C)(C#N)NC(=O)Cc1ccc(Br)s1 ZINC000581014594 468486813 /nfs/dbraw/zinc/48/68/13/468486813.db2.gz NOAKOTOKLWXLST-LBPRGKRZSA-N 1 2 330.251 2.013 10 30 EEEELO C[C@@H]1CN(Cc2c[nH+]c3ccc(C#N)cn23)c2ccccc2C(=O)N1 ZINC000378133824 467207412 /nfs/dbraw/zinc/20/74/12/467207412.db2.gz SLEPSURDYMLPHC-CYBMUJFWSA-N 1 2 331.379 2.344 10 30 EEEELO N#Cc1cncc(N2CC[NH+](Cc3ccc(F)cc3Cl)CC2)n1 ZINC000420592314 467430446 /nfs/dbraw/zinc/43/04/46/467430446.db2.gz YMHXNLFWHGMDMZ-UHFFFAOYSA-N 1 2 331.782 2.463 10 30 EEEELO CCC(=O)N[C@@H]1CCC[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000441525489 467572993 /nfs/dbraw/zinc/57/29/93/467572993.db2.gz QVZDJLGUJQPEIV-OAHLLOKOSA-N 1 2 339.399 2.099 10 30 EEEELO CCC(=O)N[C@@H]1CCC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000441525489 467572995 /nfs/dbraw/zinc/57/29/95/467572995.db2.gz QVZDJLGUJQPEIV-OAHLLOKOSA-N 1 2 339.399 2.099 10 30 EEEELO COc1ccc(OC)c([C@H]2CCC[N@@H+]2CC(=O)NC2(C#N)CCC2)c1 ZINC000527128271 467654519 /nfs/dbraw/zinc/65/45/19/467654519.db2.gz JKZYRBMAKXSUHZ-MRXNPFEDSA-N 1 2 343.427 2.403 10 30 EEEELO COc1ccc(OC)c([C@H]2CCC[N@H+]2CC(=O)NC2(C#N)CCC2)c1 ZINC000527128271 467654524 /nfs/dbraw/zinc/65/45/24/467654524.db2.gz JKZYRBMAKXSUHZ-MRXNPFEDSA-N 1 2 343.427 2.403 10 30 EEEELO COc1cc2c(cc1F)C[N@@H+]([C@@H](C)C(=O)NC1(C#N)CCC1)CC2 ZINC000527298806 467658079 /nfs/dbraw/zinc/65/80/79/467658079.db2.gz TTZJIBQTWJJIMG-LBPRGKRZSA-N 1 2 331.391 2.143 10 30 EEEELO COc1cc2c(cc1F)C[N@H+]([C@@H](C)C(=O)NC1(C#N)CCC1)CC2 ZINC000527298806 467658082 /nfs/dbraw/zinc/65/80/82/467658082.db2.gz TTZJIBQTWJJIMG-LBPRGKRZSA-N 1 2 331.391 2.143 10 30 EEEELO Cc1c2cc(C#N)ccc2sc1C(=O)N1CC[N@@H+](CCO)C[C@H]1C ZINC000457089454 467750220 /nfs/dbraw/zinc/75/02/20/467750220.db2.gz CUPYXHYGXAOWHR-GFCCVEGCSA-N 1 2 343.452 2.220 10 30 EEEELO Cc1c2cc(C#N)ccc2sc1C(=O)N1CC[N@H+](CCO)C[C@H]1C ZINC000457089454 467750222 /nfs/dbraw/zinc/75/02/22/467750222.db2.gz CUPYXHYGXAOWHR-GFCCVEGCSA-N 1 2 343.452 2.220 10 30 EEEELO N#Cc1cnc(Nc2cccc(C[NH+]3CCOCC3)c2)c([N+](=O)[O-])c1 ZINC000450283430 467817239 /nfs/dbraw/zinc/81/72/39/467817239.db2.gz JSKWXVQDCIIVAF-UHFFFAOYSA-N 1 2 339.355 2.437 10 30 EEEELO COc1cc(-c2noc(C[NH2+]C3(c4cccc(C#N)c4)CC3)n2)ncn1 ZINC000450671026 467889763 /nfs/dbraw/zinc/88/97/63/467889763.db2.gz HDOCMCQYGZEMOM-UHFFFAOYSA-N 1 2 348.366 2.186 10 30 EEEELO C[N@@H+]1CC[C@@H](NC(=O)NCC2(C#N)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000576813420 468172640 /nfs/dbraw/zinc/17/26/40/468172640.db2.gz WMYOCDHTADFXLI-CABCVRRESA-N 1 2 334.370 2.313 10 30 EEEELO C[N@H+]1CC[C@@H](NC(=O)NCC2(C#N)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000576813420 468172643 /nfs/dbraw/zinc/17/26/43/468172643.db2.gz WMYOCDHTADFXLI-CABCVRRESA-N 1 2 334.370 2.313 10 30 EEEELO C=C[C@H](C(=O)OC)[NH+]1CCC(Cc2ccccc2C(=O)OC)CC1 ZINC000589743472 468182470 /nfs/dbraw/zinc/18/24/70/468182470.db2.gz SCAUIMMSXKYFBN-QGZVFWFLSA-N 1 2 331.412 2.455 10 30 EEEELO N#CCCCC[C@H]([NH3+])C(=O)Nc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000594467054 468597261 /nfs/dbraw/zinc/59/72/61/468597261.db2.gz FLCFJVNOJFVJIU-LBPRGKRZSA-N 1 2 332.795 2.475 10 30 EEEELO N#Cc1sccc1S(=O)(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000594803451 468692567 /nfs/dbraw/zinc/69/25/67/468692567.db2.gz NOUYBVKHTYYYIN-UHFFFAOYSA-N 1 2 348.453 2.093 10 30 EEEELO CCOC(=O)C[N@@H+]1CCCN(c2ncc(C#N)c3ccsc32)CC1 ZINC000601110416 468744881 /nfs/dbraw/zinc/74/48/81/468744881.db2.gz DCLCHZDOUPFTPA-UHFFFAOYSA-N 1 2 344.440 2.243 10 30 EEEELO CCOC(=O)C[N@H+]1CCCN(c2ncc(C#N)c3ccsc32)CC1 ZINC000601110416 468744886 /nfs/dbraw/zinc/74/48/86/468744886.db2.gz DCLCHZDOUPFTPA-UHFFFAOYSA-N 1 2 344.440 2.243 10 30 EEEELO N#Cc1c(F)cc(C(=O)N(CC[NH+]2CCOCC2)CC2CC2)cc1F ZINC000598343387 468837734 /nfs/dbraw/zinc/83/77/34/468837734.db2.gz WUQUPXFNBWZZOK-UHFFFAOYSA-N 1 2 349.381 2.021 10 30 EEEELO 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1191377864 /nfs/dbraw/zinc/37/78/64/1191377864.db2.gz JCKNPAZHDKSRBC-OWCLPIDISA-N 1 2 332.448 2.403 10 30 EEEELO CC(C)CCc1noc(C[NH2+]C2(CNC(=O)C#CC3CC3)CCC2)n1 ZINC001484633418 1191445804 /nfs/dbraw/zinc/44/58/04/1191445804.db2.gz MVMCSKFBKHXAFC-UHFFFAOYSA-N 1 2 344.459 2.200 10 30 EEEELO CCCCCCC[NH+]1CC2(C1)CN(C(=O)c1c[nH]nc1CC)CCO2 ZINC001484776392 1191516193 /nfs/dbraw/zinc/51/61/93/1191516193.db2.gz XBQHDMDZXCGNGF-UHFFFAOYSA-N 1 2 348.491 2.469 10 30 EEEELO C#CCCCCCC(=O)N[C@H]1CC[N@@H+](Cc2cn(CC)nn2)[C@@H](C)C1 ZINC001484976720 1191593364 /nfs/dbraw/zinc/59/33/64/1191593364.db2.gz NZZJDJXTAMOVEY-IRXDYDNUSA-N 1 2 345.491 2.351 10 30 EEEELO C#CCCCCCC(=O)N[C@H]1CC[N@H+](Cc2cn(CC)nn2)[C@@H](C)C1 ZINC001484976720 1191593365 /nfs/dbraw/zinc/59/33/65/1191593365.db2.gz NZZJDJXTAMOVEY-IRXDYDNUSA-N 1 2 345.491 2.351 10 30 EEEELO Cc1cc(C(=O)NC[C@H](C)[N@H+](C)Cc2cc(F)ccc2C#N)cnn1 ZINC001485294338 1191723194 /nfs/dbraw/zinc/72/31/94/1191723194.db2.gz GKTUSMGZHWRJFV-ZDUSSCGKSA-N 1 2 341.390 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SCPKODFJZNVDFP-NVXWUHKLSA-N 1 2 329.444 2.479 10 30 EEEELO C=CCCC(=O)N[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2cccc(C)c2)C1 ZINC001316974526 1332024150 /nfs/dbraw/zinc/02/41/50/1332024150.db2.gz SCPKODFJZNVDFP-NVXWUHKLSA-N 1 2 329.444 2.479 10 30 EEEELO CCCCc1nc(C[NH2+][C@H]2C[C@@H](NC(=O)C#CC(C)(C)C)C2)no1 ZINC001317110825 1332084188 /nfs/dbraw/zinc/08/41/88/1332084188.db2.gz XSUYLNXHUUQGMN-OKILXGFUSA-N 1 2 332.448 2.199 10 30 EEEELO COCc1nc(C[N@@H+]2CCC[C@@H](CNC(=O)C#CC(C)C)C2)cs1 ZINC001317132268 1332091503 /nfs/dbraw/zinc/09/15/03/1332091503.db2.gz WQLYOUOKVVJYMO-HNNXBMFYSA-N 1 2 349.500 2.277 10 30 EEEELO COCc1nc(C[N@H+]2CCC[C@@H](CNC(=O)C#CC(C)C)C2)cs1 ZINC001317132268 1332091506 /nfs/dbraw/zinc/09/15/06/1332091506.db2.gz WQLYOUOKVVJYMO-HNNXBMFYSA-N 1 2 349.500 2.277 10 30 EEEELO C#Cc1ccccc1CC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccon1 ZINC001317180322 1332117574 /nfs/dbraw/zinc/11/75/74/1332117574.db2.gz KEEPRGPPOWNVOH-LJQANCHMSA-N 1 2 337.423 2.369 10 30 EEEELO 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C=C(C)CCC(=O)N[C@H](C)[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001526076828 1120426010 /nfs/dbraw/zinc/42/60/10/1120426010.db2.gz VQWFDSJCBAZRSK-CVEARBPZSA-N 1 2 346.475 2.442 10 30 EEEELO C=CCCCC(=O)N1CC[C@H](CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001527263435 1120735973 /nfs/dbraw/zinc/73/59/73/1120735973.db2.gz ANBFGZICKDNYQC-JKSUJKDBSA-N 1 2 332.448 2.155 10 30 EEEELO C=C(C)CCC(=O)N1CCC[C@H](N(C)C(=O)CCn2cc[nH+]c2)C1 ZINC001527369736 1120775517 /nfs/dbraw/zinc/77/55/17/1120775517.db2.gz ODJQENIPVWCHTJ-INIZCTEOSA-N 1 2 332.448 2.079 10 30 EEEELO C=C(C)C(C)(C)C(=O)N1CCC[C@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001529372247 1121418739 /nfs/dbraw/zinc/41/87/39/1121418739.db2.gz PDDSJDFHKYWRPT-INIZCTEOSA-N 1 2 346.475 2.062 10 30 EEEELO C=CC(C)(C)CC(=O)N(C)CCN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001532973820 1123014899 /nfs/dbraw/zinc/01/48/99/1123014899.db2.gz CFNNIEKMNJOWOY-HNNXBMFYSA-N 1 2 334.464 2.353 10 30 EEEELO C=CCCCC(=O)N1CC[C@@H]2[C@H](CCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001533058499 1123052612 /nfs/dbraw/zinc/05/26/12/1123052612.db2.gz GMGXBOWYPQRPBH-IAGOWNOFSA-N 1 2 344.459 2.079 10 30 EEEELO C=C1CC(C)(C(=O)NC[C@@H]2CCC[C@@H]2NC(=O)CCn2cc[nH+]c2)C1 ZINC001533118755 1123093006 /nfs/dbraw/zinc/09/30/06/1123093006.db2.gz JGWYODMZFBKROW-HOTGVXAUSA-N 1 2 344.459 2.031 10 30 EEEELO C=CCCCC(=O)NC[C@@]1(C)CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001537227230 1123989936 /nfs/dbraw/zinc/98/99/36/1123989936.db2.gz FXGOMPKPXFTBJC-LJQANCHMSA-N 1 2 346.475 2.444 10 30 EEEELO C=CCN(c1nnc(CC2CC2)n1C[C@H](C)[NH+]1CCOCC1)C1CC1 ZINC001540111422 1124075284 /nfs/dbraw/zinc/07/52/84/1124075284.db2.gz JSIDGRBDBSASJK-HNNXBMFYSA-N 1 2 345.491 2.106 10 30 EEEELO CCc1nnc(C[NH2+][C@H](CC)CNC(=O)CC#Cc2ccccc2)o1 ZINC001567989471 1124218822 /nfs/dbraw/zinc/21/88/22/1124218822.db2.gz PCLINUPXYJSLOO-MRXNPFEDSA-N 1 2 340.427 2.058 10 30 EEEELO C=CCCC(=O)N1CCC[C@@H]1C[NH2+]Cc1noc(-c2ccoc2)n1 ZINC001568134618 1124320866 /nfs/dbraw/zinc/32/08/66/1124320866.db2.gz CFUXBXXHDTXLJK-CQSZACIVSA-N 1 2 330.388 2.376 10 30 EEEELO N#Cc1ccc(C[NH2+]C/C=C/CNC(=O)C(F)C(F)(F)F)cc1F ZINC001568854802 1124877375 /nfs/dbraw/zinc/87/73/75/1124877375.db2.gz VUTZPXDKCXXMKX-ZIYVKSGCSA-N 1 2 347.287 2.360 10 30 EEEELO N#Cc1ccc(C[NH2+]C/C=C/CNC(=O)[C@@H](F)C(F)(F)F)cc1F ZINC001568854802 1124877385 /nfs/dbraw/zinc/87/73/85/1124877385.db2.gz VUTZPXDKCXXMKX-ZIYVKSGCSA-N 1 2 347.287 2.360 10 30 EEEELO Cc1cn2c(n1)[C@@H](CNC(=O)NCc1cn3c([nH+]1)CCCC3)CCC2 ZINC000328641784 539757382 /nfs/dbraw/zinc/75/73/82/539757382.db2.gz DKSRDVKYSYTBQW-CQSZACIVSA-N 1 2 342.447 2.306 10 30 EEEELO CC(C)Cn1cc[nH+]c1CNC(=O)[C@@H]1CC12CCS(=O)(=O)CC2 ZINC000330136029 539788006 /nfs/dbraw/zinc/78/80/06/539788006.db2.gz TXCSCIPKQFIOIY-ZDUSSCGKSA-N 1 2 339.461 2.211 10 30 EEEELO C#CC[N@H+]1CCCC[C@H]1C(=O)Nc1cc(C(=O)NCC)ccc1C ZINC000069375963 215392606 /nfs/dbraw/zinc/39/26/06/215392606.db2.gz MMDPZKKPVGEVAL-KRWDZBQOSA-N 1 2 327.428 2.171 10 30 EEEELO C#CC[N@@H+]1CCCC[C@H]1C(=O)Nc1cc(C(=O)NCC)ccc1C ZINC000069375963 215392609 /nfs/dbraw/zinc/39/26/09/215392609.db2.gz MMDPZKKPVGEVAL-KRWDZBQOSA-N 1 2 327.428 2.171 10 30 EEEELO CSc1[nH]c(=O)c(C(=O)NCC2(C[NH+](C)C)CCCC2)cc1C#N ZINC000354083195 153095740 /nfs/dbraw/zinc/09/57/40/153095740.db2.gz NNWPKSCJDBPMBL-UHFFFAOYSA-N 1 2 348.472 2.233 10 30 EEEELO N#Cc1ccc(C2(C(=O)NCc3cccnc3-n3cc[nH+]c3)CC2)cc1 ZINC000187652553 160106824 /nfs/dbraw/zinc/10/68/24/160106824.db2.gz ADINQBXXCSSAOT-UHFFFAOYSA-N 1 2 343.390 2.487 10 30 EEEELO N#Cc1cc(Cl)ccc1S(=O)(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000247173793 160313998 /nfs/dbraw/zinc/31/39/98/160313998.db2.gz RLUXLTHQVXYAPC-AWEZNQCLSA-N 1 2 339.848 2.070 10 30 EEEELO N#Cc1cc(Cl)ccc1S(=O)(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000247173793 160313999 /nfs/dbraw/zinc/31/39/99/160313999.db2.gz RLUXLTHQVXYAPC-AWEZNQCLSA-N 1 2 339.848 2.070 10 30 EEEELO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCO[C@@H](c2ccsc2)C1 ZINC000528401338 268300956 /nfs/dbraw/zinc/30/09/56/268300956.db2.gz AUMBCZUGABRXQS-SJLPKXTDSA-N 1 2 344.436 2.433 10 30 EEEELO N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCO[C@@H](c2ccsc2)C1 ZINC000528401338 268300959 /nfs/dbraw/zinc/30/09/59/268300959.db2.gz AUMBCZUGABRXQS-SJLPKXTDSA-N 1 2 344.436 2.433 10 30 EEEELO Cn1cc[nH+]c1CN1CCC[C@H](Nc2c(F)cc(C#N)cc2F)C1=O ZINC000541188603 318094233 /nfs/dbraw/zinc/09/42/33/318094233.db2.gz DZYISASIOYYWPS-AWEZNQCLSA-N 1 2 345.353 2.173 10 30 EEEELO C[C@@H](C(=O)Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1)n1cnc(C#N)n1 ZINC000336943914 465113596 /nfs/dbraw/zinc/11/35/96/465113596.db2.gz KFAPDKCVXSIAST-JTQLQIEISA-N 1 2 335.371 2.493 10 30 EEEELO CC(=O)N1C[C@H](CCC(=O)NC[C@H]2C[N@H+](C)CCO2)c2ccccc21 ZINC000329599760 465383257 /nfs/dbraw/zinc/38/32/57/465383257.db2.gz DQUFFHZNSZIHFB-HOTGVXAUSA-N 1 2 345.443 2.204 10 30 EEEELO CC(=O)N1C[C@H](CCC(=O)NC[C@H]2C[N@@H+](C)CCO2)c2ccccc21 ZINC000329599760 465383260 /nfs/dbraw/zinc/38/32/60/465383260.db2.gz DQUFFHZNSZIHFB-HOTGVXAUSA-N 1 2 345.443 2.204 10 30 EEEELO C=CC[N@@H+](CC(=O)N1C[C@H](C)O[C@@H](C)C1)Cc1cccc([N+](=O)[O-])c1 ZINC000119995393 462950233 /nfs/dbraw/zinc/95/02/33/462950233.db2.gz OVVDICITFHDBIT-GJZGRUSLSA-N 1 2 347.415 2.219 10 30 EEEELO C=CC[N@H+](CC(=O)N1C[C@H](C)O[C@@H](C)C1)Cc1cccc([N+](=O)[O-])c1 ZINC000119995393 462950237 /nfs/dbraw/zinc/95/02/37/462950237.db2.gz OVVDICITFHDBIT-GJZGRUSLSA-N 1 2 347.415 2.219 10 30 EEEELO C[C@H](Oc1ccccc1C#N)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000067743744 463046536 /nfs/dbraw/zinc/04/65/36/463046536.db2.gz KQJDUXJPJZBTNG-HNNXBMFYSA-N 1 2 335.407 2.458 10 30 EEEELO C=CCNC(=O)CN1CC[NH+](Cc2ccc(OCC(C)C)cc2)CC1 ZINC000122222411 463247280 /nfs/dbraw/zinc/24/72/80/463247280.db2.gz LWOXBWASVKSYRS-UHFFFAOYSA-N 1 2 345.487 2.141 10 30 EEEELO C[S@@](=O)c1ccc(C[NH+]2CCN(c3ncccc3C#N)CC2)cc1 ZINC000122963850 463305597 /nfs/dbraw/zinc/30/55/97/463305597.db2.gz CEPQVAWULREWIE-DEOSSOPVSA-N 1 2 340.452 2.013 10 30 EEEELO N#Cc1ccc(C(=O)N2CC[NH+](C[C@H](O)c3ccccc3)CC2)cc1 ZINC000069947910 463355316 /nfs/dbraw/zinc/35/53/16/463355316.db2.gz KUZNWEDBIJNVPB-IBGZPJMESA-N 1 2 335.407 2.050 10 30 EEEELO CN1CCc2ccc(NCc3c[nH+]c4ccc(C#N)cn34)cc2C1=O ZINC000151768243 463588255 /nfs/dbraw/zinc/58/82/55/463588255.db2.gz FFWVVJXKIZDARY-UHFFFAOYSA-N 1 2 331.379 2.446 10 30 EEEELO CCC1(CC)CN(Cc2c[nH+]c3ccc(C#N)cn23)CC[S@]1=O ZINC000187553280 464139867 /nfs/dbraw/zinc/13/98/67/464139867.db2.gz VHPAZSWFLCSPRR-HSZRJFAPSA-N 1 2 330.457 2.329 10 30 EEEELO CO[C@H]1C[C@H](c2nc(C)no2)[N@H+](CCOc2ccc(C#N)cc2)C1 ZINC000189313062 464473723 /nfs/dbraw/zinc/47/37/23/464473723.db2.gz JMFPUXDBMDURME-JKSUJKDBSA-N 1 2 328.372 2.091 10 30 EEEELO CO[C@H]1C[C@H](c2nc(C)no2)[N@@H+](CCOc2ccc(C#N)cc2)C1 ZINC000189313062 464473725 /nfs/dbraw/zinc/47/37/25/464473725.db2.gz JMFPUXDBMDURME-JKSUJKDBSA-N 1 2 328.372 2.091 10 30 EEEELO Cn1ncc(C2CCC2)c1C[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000596983197 468407175 /nfs/dbraw/zinc/40/71/75/468407175.db2.gz PXUIIRCXHQAYPC-UHFFFAOYSA-N 1 2 336.443 2.276 10 30 EEEELO COc1c(C)c[nH+]c(CN(C)C(=O)CC2(C#N)CCOCC2)c1C ZINC000596995297 468410612 /nfs/dbraw/zinc/41/06/12/468410612.db2.gz LQCGZDRWMQMWKC-UHFFFAOYSA-N 1 2 331.416 2.376 10 30 EEEELO CN(C)S(=O)(=O)[C@H]1CCC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000285712320 464668685 /nfs/dbraw/zinc/66/86/85/464668685.db2.gz TYOXHQDDIWJIPF-INIZCTEOSA-N 1 2 340.876 2.047 10 30 EEEELO CN(C)S(=O)(=O)[C@H]1CCC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000285712320 464668688 /nfs/dbraw/zinc/66/86/88/464668688.db2.gz TYOXHQDDIWJIPF-INIZCTEOSA-N 1 2 340.876 2.047 10 30 EEEELO C=CC[C@H](CO)Nc1nc(N[C@H](CO)CC=C)[nH+]c2ccccc21 ZINC000182661283 464704519 /nfs/dbraw/zinc/70/45/19/464704519.db2.gz DVHOYTHHPPRZLZ-KGLIPLIRSA-N 1 2 328.416 2.328 10 30 EEEELO C=CC[C@H](CO)NC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000273440167 464715547 /nfs/dbraw/zinc/71/55/47/464715547.db2.gz YFTYMMAWRIQCEZ-RHSMWYFYSA-N 1 2 333.432 2.138 10 30 EEEELO Cn1cc[nH+]c1[C@H]1N(S(=O)(=O)c2ccc(F)c(C#N)c2)CC1(C)C ZINC000295192391 464738248 /nfs/dbraw/zinc/73/82/48/464738248.db2.gz DHLZMQDOKBOQMK-CQSZACIVSA-N 1 2 348.403 2.203 10 30 EEEELO N#CC[C@@H]1CC[C@H](NC(=O)c2ccccc2C[NH+]2CCOCC2)C1 ZINC000295502703 464861159 /nfs/dbraw/zinc/86/11/59/464861159.db2.gz GKASYWJBLMBQGS-RDJZCZTQSA-N 1 2 327.428 2.331 10 30 EEEELO CCOc1cc(NC2CC[NH+](Cc3nc(C#N)cs3)CC2)ncn1 ZINC000356411976 465368045 /nfs/dbraw/zinc/36/80/45/465368045.db2.gz LYARKKPZYCGKGN-UHFFFAOYSA-N 1 2 344.444 2.280 10 30 EEEELO C[C@H](O)CNc1[nH+]c2ccccc2n1CCOc1cccc(C#N)c1 ZINC000360284852 465553038 /nfs/dbraw/zinc/55/30/38/465553038.db2.gz HTGRWZOTBWPHKD-AWEZNQCLSA-N 1 2 336.395 2.780 10 30 EEEELO CN(Cc1cccc(C#N)c1)C(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000362998175 466169218 /nfs/dbraw/zinc/16/92/18/466169218.db2.gz SHEBLSLFDVUVIH-UHFFFAOYSA-N 1 2 346.394 2.481 10 30 EEEELO C=CCN1CC[C@H]([N@H+]2C[C@@H](C3CCCCC3)C[C@H]2C(=O)OC)C1=O ZINC000410390743 466689699 /nfs/dbraw/zinc/68/96/99/466689699.db2.gz IWLPSGFNOXPPGR-ULQDDVLXSA-N 1 2 334.460 2.217 10 30 EEEELO C=CCN1CC[C@H]([N@@H+]2C[C@@H](C3CCCCC3)C[C@H]2C(=O)OC)C1=O ZINC000410390743 466689708 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EEEELO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)Cn2c(C)cc3ccccc32)C1 ZINC001568221361 1124364726 /nfs/dbraw/zinc/36/47/26/1124364726.db2.gz LSXDEYNFARGNAD-SFHVURJKSA-N 1 2 341.455 2.343 10 30 EEEELO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)Cn2c(C)cc3ccccc32)C1 ZINC001568221361 1124364729 /nfs/dbraw/zinc/36/47/29/1124364729.db2.gz LSXDEYNFARGNAD-SFHVURJKSA-N 1 2 341.455 2.343 10 30 EEEELO CC(C)C#CC(=O)N[C@H](C)C[N@H+](C)[C@H](C)c1nc(-c2ccco2)no1 ZINC001569115905 1125107847 /nfs/dbraw/zinc/10/78/47/1125107847.db2.gz PWHHZVCBPLSWLN-ZIAGYGMSSA-N 1 2 344.415 2.487 10 30 EEEELO CC(C)C#CC(=O)N[C@H](C)C[N@@H+](C)[C@H](C)c1nc(-c2ccco2)no1 ZINC001569115905 1125107849 /nfs/dbraw/zinc/10/78/49/1125107849.db2.gz PWHHZVCBPLSWLN-ZIAGYGMSSA-N 1 2 344.415 2.487 10 30 EEEELO CN(CCC[NH2+]Cc1ccc(C#N)cc1)C(=O)C(F)C(F)(F)F ZINC001569204318 1125161814 /nfs/dbraw/zinc/16/18/14/1125161814.db2.gz KIGVXGRYNUEPIS-CYBMUJFWSA-N 1 2 331.313 2.397 10 30 EEEELO CN(CCC[NH2+]Cc1ccc(C#N)cc1)C(=O)[C@@H](F)C(F)(F)F ZINC001569204318 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EEEELO N#CCC1(CS(=O)(=O)NCc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000451026759 242978177 /nfs/dbraw/zinc/97/81/77/242978177.db2.gz OFBWZFFCOXQGOG-UHFFFAOYSA-N 1 2 338.820 2.101 10 30 EEEELO C[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)Cc1cccc(C#N)c1 ZINC000128447292 292342219 /nfs/dbraw/zinc/34/22/19/292342219.db2.gz FINCRFCMVHHGLK-UHFFFAOYSA-N 1 2 339.420 2.336 10 30 EEEELO C[N@@H+](CCS(=O)(=O)c1cccc(C#N)c1)Cc1cccc(C#N)c1 ZINC000128447292 292342220 /nfs/dbraw/zinc/34/22/20/292342220.db2.gz FINCRFCMVHHGLK-UHFFFAOYSA-N 1 2 339.420 2.336 10 30 EEEELO CC(C)(C)n1nnnc1C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000361924813 164525727 /nfs/dbraw/zinc/52/57/27/164525727.db2.gz JRNRRBMGRVTPPN-UHFFFAOYSA-N 1 2 340.431 2.343 10 30 EEEELO COC1(c2ccccc2)C[NH+](C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000375580306 167161559 /nfs/dbraw/zinc/16/15/59/167161559.db2.gz YTZIJSZXGLUWNN-SFHVURJKSA-N 1 2 338.407 2.155 10 30 EEEELO CCn1cc[nH+]c1CNC(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000455295890 267256647 /nfs/dbraw/zinc/25/66/47/267256647.db2.gz QBNJTNMUBHGJQX-MRXNPFEDSA-N 1 2 339.399 2.058 10 30 EEEELO N#Cc1ccnc(N2CCN(c3nc(C4CC4)[nH+]c4c3CCC4)CC2)c1 ZINC000329139218 268294845 /nfs/dbraw/zinc/29/48/45/268294845.db2.gz SJDNEQCBHFGZEI-UHFFFAOYSA-N 1 2 346.438 2.436 10 30 EEEELO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCO[C@H](c2ccsc2)C1 ZINC000528401334 268301017 /nfs/dbraw/zinc/30/10/17/268301017.db2.gz AUMBCZUGABRXQS-AEFFLSMTSA-N 1 2 344.436 2.433 10 30 EEEELO N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCO[C@H](c2ccsc2)C1 ZINC000528401334 268301020 /nfs/dbraw/zinc/30/10/20/268301020.db2.gz AUMBCZUGABRXQS-AEFFLSMTSA-N 1 2 344.436 2.433 10 30 EEEELO COc1ccc(CN2CCC[N@H+](Cc3ccc(C#N)o3)CC2=O)cc1 ZINC000274467950 269035513 /nfs/dbraw/zinc/03/55/13/269035513.db2.gz XZDVZUKEJUWGBE-UHFFFAOYSA-N 1 2 339.395 2.394 10 30 EEEELO COc1ccc(CN2CCC[N@@H+](Cc3ccc(C#N)o3)CC2=O)cc1 ZINC000274467950 269035514 /nfs/dbraw/zinc/03/55/14/269035514.db2.gz XZDVZUKEJUWGBE-UHFFFAOYSA-N 1 2 339.395 2.394 10 30 EEEELO N#Cc1ccc(N2CC[NH+](C[C@H](O)C(F)(F)F)CC2)c(Cl)c1 ZINC000277759755 269179716 /nfs/dbraw/zinc/17/97/16/269179716.db2.gz MDKLIZCKSKLLAX-ZDUSSCGKSA-N 1 2 333.741 2.257 10 30 EEEELO CN(Cc1ccc(C#N)cc1[N+](=O)[O-])C(C)(C)C[NH+]1CCOCC1 ZINC000576758969 320201536 /nfs/dbraw/zinc/20/15/36/320201536.db2.gz MSYYMFSUJYTMIC-UHFFFAOYSA-N 1 2 332.404 2.009 10 30 EEEELO N#Cc1ccc(C[NH+]2CCC(O)(C(F)(F)F)CC2)c([N+](=O)[O-])c1 ZINC000580315277 324037886 /nfs/dbraw/zinc/03/78/86/324037886.db2.gz AWSKTPDANISDJM-UHFFFAOYSA-N 1 2 329.278 2.356 10 30 EEEELO N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)C1([NH+]2CCOCC2)CCC1 ZINC000580419385 324058303 /nfs/dbraw/zinc/05/83/03/324058303.db2.gz RJYQLZFULSSQGJ-SFHVURJKSA-N 1 2 339.439 2.307 10 30 EEEELO CCO[C@@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCOCC2)C12CCOCC2 ZINC000328586390 465062047 /nfs/dbraw/zinc/06/20/47/465062047.db2.gz KXUKYFKFAANZKM-HUUCEWRRSA-N 1 2 340.464 2.028 10 30 EEEELO Cc1cn2c([nH+]1)[C@H](CNC(=O)[C@H](C)Sc1nncn1C)CCC2 ZINC000328693832 465101030 /nfs/dbraw/zinc/10/10/30/465101030.db2.gz CRRRIENXXSEAJS-RYUDHWBXSA-N 1 2 334.449 2.335 10 30 EEEELO N#Cc1cccc(S(=O)(=O)CCn2cc[nH+]c2-c2ccncc2)c1 ZINC000128679854 462662106 /nfs/dbraw/zinc/66/21/06/462662106.db2.gz JWYWKSVXISJFFS-UHFFFAOYSA-N 1 2 338.392 2.291 10 30 EEEELO N#Cc1ccsc1NC(=O)C[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000154614688 462788760 /nfs/dbraw/zinc/78/87/60/462788760.db2.gz CJMPEHWJEBNTBD-CQSZACIVSA-N 1 2 328.397 2.107 10 30 EEEELO N#Cc1ccsc1NC(=O)C[N@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000154614688 462788764 /nfs/dbraw/zinc/78/87/64/462788764.db2.gz CJMPEHWJEBNTBD-CQSZACIVSA-N 1 2 328.397 2.107 10 30 EEEELO C=CCN(Cc1[nH+]ccn1Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000066560281 462903557 /nfs/dbraw/zinc/90/35/57/462903557.db2.gz AMSYMKSDENWUJJ-QGZVFWFLSA-N 1 2 345.468 2.107 10 30 EEEELO N#CCc1ccc(NC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)cc1 ZINC000156435952 463023908 /nfs/dbraw/zinc/02/39/08/463023908.db2.gz PDMLXFILUJJVLB-SFHVURJKSA-N 1 2 342.443 2.471 10 30 EEEELO Cc1c(NCc2c[nH+]c3ccc(C#N)cn23)cccc1-n1cnnn1 ZINC000535844512 468335762 /nfs/dbraw/zinc/33/57/62/468335762.db2.gz VREJQBCRWYTICM-UHFFFAOYSA-N 1 2 330.355 2.102 10 30 EEEELO C#CC[N@H+]1CCCC[C@H]1C(=O)Nc1cc(C(=O)NC2CC2)ccc1C ZINC000069414999 463241657 /nfs/dbraw/zinc/24/16/57/463241657.db2.gz FEIFGAAONHHRLX-SFHVURJKSA-N 1 2 339.439 2.313 10 30 EEEELO C#CC[N@@H+]1CCCC[C@H]1C(=O)Nc1cc(C(=O)NC2CC2)ccc1C ZINC000069414999 463241662 /nfs/dbraw/zinc/24/16/62/463241662.db2.gz FEIFGAAONHHRLX-SFHVURJKSA-N 1 2 339.439 2.313 10 30 EEEELO CCn1cc[nH+]c1[C@@H](NC(=O)c1ccnc(C#N)c1)C1CCOCC1 ZINC000287008877 463771169 /nfs/dbraw/zinc/77/11/69/463771169.db2.gz UAINCOHXFRQAJW-INIZCTEOSA-N 1 2 339.399 2.067 10 30 EEEELO N#Cc1ccc(OCCNC(=O)NCc2ccn3cc[nH+]c3c2)cc1 ZINC000177962391 463820019 /nfs/dbraw/zinc/82/00/19/463820019.db2.gz IBVIFMCJCYAOBI-UHFFFAOYSA-N 1 2 335.367 2.084 10 30 EEEELO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000281577668 464510427 /nfs/dbraw/zinc/51/04/27/464510427.db2.gz UTCOYGSJTWSANB-ZBFHGGJFSA-N 1 2 341.415 2.048 10 30 EEEELO COC(=O)c1cccc(C[NH+]2CCN(c3ncccc3C#N)CC2)c1 ZINC000247822058 464707448 /nfs/dbraw/zinc/70/74/48/464707448.db2.gz IIJZJAXQWVJVSB-UHFFFAOYSA-N 1 2 336.395 2.062 10 30 EEEELO CN(C)c1[nH+]cccc1O[C@@H]1CCN(C(=O)c2ccc(C#N)cc2)C1 ZINC000275687321 464785644 /nfs/dbraw/zinc/78/56/44/464785644.db2.gz QQXIDDHEAVLXAB-MRXNPFEDSA-N 1 2 336.395 2.313 10 30 EEEELO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000183246325 464833534 /nfs/dbraw/zinc/83/35/34/464833534.db2.gz MBUWTFSFBVXEIB-UHFFFAOYSA-N 1 2 337.383 2.492 10 30 EEEELO CNS(=O)(=O)c1ccc(CNc2cc(C)[nH+]c(C)c2C#N)cc1 ZINC000301803752 466036415 /nfs/dbraw/zinc/03/64/15/466036415.db2.gz XBRSAFFKQXHTIT-UHFFFAOYSA-N 1 2 330.413 2.090 10 30 EEEELO C=CCN1C(=O)c2ccc(C(=O)Nc3c[nH+]ccc3OC)cc2C1=O ZINC000353833917 466184330 /nfs/dbraw/zinc/18/43/30/466184330.db2.gz GQSODDUTWWNYRC-UHFFFAOYSA-N 1 2 337.335 2.125 10 30 EEEELO N#C[C@H](NC(=O)CCn1cc[nH+]c1)c1ccc(Br)cc1 ZINC000354288220 466445510 /nfs/dbraw/zinc/44/55/10/466445510.db2.gz OEWSKNKFILQGFW-ZDUSSCGKSA-N 1 2 333.189 2.417 10 30 EEEELO N#C[C@@H](NC(=O)CCn1cc[nH+]c1)c1ccc(Br)cc1 ZINC000354288219 466445554 /nfs/dbraw/zinc/44/55/54/466445554.db2.gz OEWSKNKFILQGFW-CYBMUJFWSA-N 1 2 333.189 2.417 10 30 EEEELO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCO[C@@H](COc2ccccc2)C1 ZINC000361997581 466471485 /nfs/dbraw/zinc/47/14/85/466471485.db2.gz YNHGTYVEBWJPOF-IEBWSBKVSA-N 1 2 344.455 2.355 10 30 EEEELO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCO[C@@H](COc2ccccc2)C1 ZINC000361997581 466471494 /nfs/dbraw/zinc/47/14/94/466471494.db2.gz YNHGTYVEBWJPOF-IEBWSBKVSA-N 1 2 344.455 2.355 10 30 EEEELO C=CCc1ccc(OC[C@H](O)C[N@H+](C)Cc2cc[nH]n2)c(OC)c1 ZINC000358197480 466533876 /nfs/dbraw/zinc/53/38/76/466533876.db2.gz SMLZHLSZJAZNCW-MRXNPFEDSA-N 1 2 331.416 2.019 10 30 EEEELO C=CCc1ccc(OC[C@H](O)C[N@@H+](C)Cc2cc[nH]n2)c(OC)c1 ZINC000358197480 466533886 /nfs/dbraw/zinc/53/38/86/466533886.db2.gz SMLZHLSZJAZNCW-MRXNPFEDSA-N 1 2 331.416 2.019 10 30 EEEELO CCOC(=O)c1nn(C)cc1C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000600212972 468498701 /nfs/dbraw/zinc/49/87/01/468498701.db2.gz MSMFFIPOZVXDRC-UHFFFAOYSA-N 1 2 338.411 2.221 10 30 EEEELO CCOC(=O)c1nn(C)cc1C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000600212972 468498706 /nfs/dbraw/zinc/49/87/06/468498706.db2.gz MSMFFIPOZVXDRC-UHFFFAOYSA-N 1 2 338.411 2.221 10 30 EEEELO N#Cc1ccc2[nH+]cc(CN3CCNC(=O)[C@H]3c3ccccc3F)n2c1 ZINC000363857158 466639733 /nfs/dbraw/zinc/63/97/33/466639733.db2.gz YVIQVTIFQPDVNW-GOSISDBHSA-N 1 2 349.369 2.018 10 30 EEEELO C#CCCCS(=O)(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000376353522 466907755 /nfs/dbraw/zinc/90/77/55/466907755.db2.gz YPNRECUAPJBBNN-HZPDHXFCSA-N 1 2 342.411 2.043 10 30 EEEELO C#CCCCS(=O)(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000376353522 466907761 /nfs/dbraw/zinc/90/77/61/466907761.db2.gz YPNRECUAPJBBNN-HZPDHXFCSA-N 1 2 342.411 2.043 10 30 EEEELO Cc1nc(N2CCN(C(=O)[C@H](C#N)CCc3ccccc3)CC2)cc[nH+]1 ZINC000433364911 467323675 /nfs/dbraw/zinc/32/36/75/467323675.db2.gz VRZOSBUVPRQQET-SFHVURJKSA-N 1 2 349.438 2.206 10 30 EEEELO COC(=O)C(C)(C)[NH+]1CCN(c2cc(C#N)c3ccccc3n2)CC1 ZINC000489972055 468182446 /nfs/dbraw/zinc/18/24/46/468182446.db2.gz LYWHLDCVFOKAPU-UHFFFAOYSA-N 1 2 338.411 2.180 10 30 EEEELO C=CC[N@H+](CCN1CCCc2ccccc21)[C@H]1CCS(=O)(=O)C1 ZINC000534178270 468236456 /nfs/dbraw/zinc/23/64/56/468236456.db2.gz RKYJMHFDBPUCTH-KRWDZBQOSA-N 1 2 334.485 2.114 10 30 EEEELO C=CC[N@@H+](CCN1CCCc2ccccc21)[C@H]1CCS(=O)(=O)C1 ZINC000534178270 468236459 /nfs/dbraw/zinc/23/64/59/468236459.db2.gz RKYJMHFDBPUCTH-KRWDZBQOSA-N 1 2 334.485 2.114 10 30 EEEELO C[C@@H]1OCC[C@@]12C[N@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])C[C@@H](C)O2 ZINC000567995371 468252873 /nfs/dbraw/zinc/25/28/73/468252873.db2.gz IPWUXCNEIHVFDP-IIYDPXPESA-N 1 2 331.372 2.235 10 30 EEEELO C[C@@H]1OCC[C@@]12C[N@@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])C[C@@H](C)O2 ZINC000567995371 468252879 /nfs/dbraw/zinc/25/28/79/468252879.db2.gz IPWUXCNEIHVFDP-IIYDPXPESA-N 1 2 331.372 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1336933171 /nfs/dbraw/zinc/93/31/71/1336933171.db2.gz QKMOSFJABORDIE-CYBMUJFWSA-N 1 2 334.464 2.202 10 30 EEEELO C=CCC1(C(=O)NCCCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCCC1 ZINC001350233180 1337685276 /nfs/dbraw/zinc/68/52/76/1337685276.db2.gz CIFLCKSDFFMUKX-HUUCEWRRSA-N 1 2 344.459 2.272 10 30 EEEELO C=CCC1(C(=O)NCCCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCCC1 ZINC001350233180 1337685281 /nfs/dbraw/zinc/68/52/81/1337685281.db2.gz CIFLCKSDFFMUKX-HUUCEWRRSA-N 1 2 344.459 2.272 10 30 EEEELO C#C[C@H]1CCCN(C(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000847277002 1337926976 /nfs/dbraw/zinc/92/69/76/1337926976.db2.gz CRRPAIDZDVXISD-KRWDZBQOSA-N 1 2 341.455 2.074 10 30 EEEELO CC[N@@H+]1CC[C@H]1C(=O)N[C@@H](C#N)c1ccc(OC(F)(F)F)cc1 ZINC001621067914 1352362931 /nfs/dbraw/zinc/36/29/31/1352362931.db2.gz SRYWWAKZEIPANL-STQMWFEESA-N 1 2 327.306 2.360 10 30 EEEELO CC[N@H+]1CC[C@H]1C(=O)N[C@@H](C#N)c1ccc(OC(F)(F)F)cc1 ZINC001621067914 1352362935 /nfs/dbraw/zinc/36/29/35/1352362935.db2.gz SRYWWAKZEIPANL-STQMWFEESA-N 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ZINC001357076637 1338950122 /nfs/dbraw/zinc/95/01/22/1338950122.db2.gz HQKACFQJDCNUTG-HUUCEWRRSA-N 1 2 344.459 2.052 10 30 EEEELO C=CC[N@H+](C[C@@H]1CC2(CO1)CCCCC2)[C@H]1CCS(=O)(=O)C1 ZINC001615931524 1352325922 /nfs/dbraw/zinc/32/59/22/1352325922.db2.gz KQHAIXIBTAVIPV-HOTGVXAUSA-N 1 2 327.490 2.401 10 30 EEEELO C=CC[N@@H+](C[C@@H]1CC2(CO1)CCCCC2)[C@H]1CCS(=O)(=O)C1 ZINC001615931524 1352325924 /nfs/dbraw/zinc/32/59/24/1352325924.db2.gz KQHAIXIBTAVIPV-HOTGVXAUSA-N 1 2 327.490 2.401 10 30 EEEELO C=C(C)CCC(=O)N1CC[C@@](C)(CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001506566415 1342249837 /nfs/dbraw/zinc/24/98/37/1342249837.db2.gz KPWCIUGZNVOTPW-SFHVURJKSA-N 1 2 332.448 2.053 10 30 EEEELO C=C(C)CCC(=O)N1CC[C@@](C)(CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001506566415 1342249839 /nfs/dbraw/zinc/24/98/39/1342249839.db2.gz KPWCIUGZNVOTPW-SFHVURJKSA-N 1 2 332.448 2.053 10 30 EEEELO CC[C@@H](OC)C(=O)N[C@H](C)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001506593727 1342264805 /nfs/dbraw/zinc/26/48/05/1342264805.db2.gz OQAFWIXYQGNZMQ-SJKOYZFVSA-N 1 2 333.407 2.059 10 30 EEEELO C#CCCCC(=O)NC[C@H]1CCC[N@H+]1CC(=O)Nc1ccccc1C ZINC001567362968 1342744461 /nfs/dbraw/zinc/74/44/61/1342744461.db2.gz LADOOOAWJMWRLK-QGZVFWFLSA-N 1 2 341.455 2.318 10 30 EEEELO C#CCCCC(=O)NC[C@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1C ZINC001567362968 1342744468 /nfs/dbraw/zinc/74/44/68/1342744468.db2.gz LADOOOAWJMWRLK-QGZVFWFLSA-N 1 2 341.455 2.318 10 30 EEEELO C=CCC(C)(C)C(=O)NC[C@@H]1CC[N@@H+]([C@@H](C)c2nnnn2C2CC2)C1 ZINC001567409769 1342756456 /nfs/dbraw/zinc/75/64/56/1342756456.db2.gz OQMSHYWUIOYJDH-KBPBESRZSA-N 1 2 346.479 2.109 10 30 EEEELO C=CCC(C)(C)C(=O)NC[C@@H]1CC[N@H+]([C@@H](C)c2nnnn2C2CC2)C1 ZINC001567409769 1342756460 /nfs/dbraw/zinc/75/64/60/1342756460.db2.gz OQMSHYWUIOYJDH-KBPBESRZSA-N 1 2 346.479 2.109 10 30 EEEELO C=CCC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(CC)C1CC1 ZINC001567674472 1342810694 /nfs/dbraw/zinc/81/06/94/1342810694.db2.gz GZSZQPXZTQMCAN-CALCHBBNSA-N 1 2 347.503 2.275 10 30 EEEELO C=CCC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(CC)C1CC1 ZINC001567674472 1342810699 /nfs/dbraw/zinc/81/06/99/1342810699.db2.gz GZSZQPXZTQMCAN-CALCHBBNSA-N 1 2 347.503 2.275 10 30 EEEELO Cc1nc([C@H](C)[NH+]2CCC3(CN(C(=O)C#CC(C)(C)C)C3)CC2)no1 ZINC001570052127 1343004897 /nfs/dbraw/zinc/00/48/97/1343004897.db2.gz JAKLMNFLRXFAFZ-AWEZNQCLSA-N 1 2 344.459 2.413 10 30 EEEELO C=CCC1(C(=O)N(C)CCC[N@H+](C)Cc2ncccn2)CCOCC1 ZINC001570216894 1343034230 /nfs/dbraw/zinc/03/42/30/1343034230.db2.gz PDDSAZDDZREUHX-UHFFFAOYSA-N 1 2 346.475 2.130 10 30 EEEELO C=CCC1(C(=O)N(C)CCC[N@@H+](C)Cc2ncccn2)CCOCC1 ZINC001570216894 1343034234 /nfs/dbraw/zinc/03/42/34/1343034234.db2.gz PDDSAZDDZREUHX-UHFFFAOYSA-N 1 2 346.475 2.130 10 30 EEEELO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)CCc1cscn1)O2 ZINC001570235809 1343039105 /nfs/dbraw/zinc/03/91/05/1343039105.db2.gz ILFLXYZDKRTZHP-OAHLLOKOSA-N 1 2 335.473 2.001 10 30 EEEELO C=CC(C)(C)CC(=O)N1CCC[C@@H]1CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001571718108 1343287768 /nfs/dbraw/zinc/28/77/68/1343287768.db2.gz SHRAVDGTIZZULP-CQSZACIVSA-N 1 2 332.448 2.004 10 30 EEEELO C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H](CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001572061397 1343376160 /nfs/dbraw/zinc/37/61/60/1343376160.db2.gz QCXJYOSXPAFQEF-KKUMJFAQSA-N 1 2 346.475 2.202 10 30 EEEELO C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H](CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001572061397 1343376165 /nfs/dbraw/zinc/37/61/65/1343376165.db2.gz QCXJYOSXPAFQEF-KKUMJFAQSA-N 1 2 346.475 2.202 10 30 EEEELO C=CCCC(=O)N1CCCC[C@@H]1[C@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001579036035 1344333117 /nfs/dbraw/zinc/33/31/17/1344333117.db2.gz YGABWUNYCALREU-HZPDHXFCSA-N 1 2 344.459 2.291 10 30 EEEELO C=C[C@H](CC)CC(=O)NCCN(CC)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001581164294 1344594022 /nfs/dbraw/zinc/59/40/22/1344594022.db2.gz KIRQDLBLLOMRGT-CVEARBPZSA-N 1 2 346.475 2.013 10 30 EEEELO C=C(C)C[C@@H](C)C(=O)N1CC[C@@H](N(CC)C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001582360040 1344743708 /nfs/dbraw/zinc/74/37/08/1344743708.db2.gz CYHOJJYCIWEBDL-HUUCEWRRSA-N 1 2 332.448 2.004 10 30 EEEELO C=C1CC(C)(C(=O)NCC[C@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001582882318 1344818551 /nfs/dbraw/zinc/81/85/51/1344818551.db2.gz VYPXBZFCOPNGNC-OAHLLOKOSA-N 1 2 344.459 2.196 10 30 EEEELO C=CCOCC[NH+]1CCC([C@@H](C)NC(=O)C(F)C(F)(F)F)CC1 ZINC001677333000 1357315224 /nfs/dbraw/zinc/31/52/24/1357315224.db2.gz TWAHFZFDIZMGLJ-YPMHNXCESA-N 1 2 340.361 2.306 10 30 EEEELO C=CCOCC[NH+]1CCC([C@@H](C)NC(=O)[C@H](F)C(F)(F)F)CC1 ZINC001677333000 1357315230 /nfs/dbraw/zinc/31/52/30/1357315230.db2.gz TWAHFZFDIZMGLJ-YPMHNXCESA-N 1 2 340.361 2.306 10 30 EEEELO C=C(C)CCC(=O)N1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H](CC)C1 ZINC001584542222 1348743523 /nfs/dbraw/zinc/74/35/23/1348743523.db2.gz WRIBVDDDMCYNNB-HUUCEWRRSA-N 1 2 332.448 2.052 10 30 EEEELO C=CCCCC(=O)N1C[C@@H]2CC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C[C@@H]2C1 ZINC001678961345 1357595782 /nfs/dbraw/zinc/59/57/82/1357595782.db2.gz UHGOOMBONBFVOO-ARFHVFGLSA-N 1 2 344.459 2.052 10 30 EEEELO C=C(C)CCC(=O)N1CCC(N(C)C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001679545844 1357721896 /nfs/dbraw/zinc/72/18/96/1357721896.db2.gz OEOOEBAUVHVZOI-OAHLLOKOSA-N 1 2 346.475 2.394 10 30 EEEELO C=C(C)CCC(=O)N1CCC(N(C)C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001679545844 1357721898 /nfs/dbraw/zinc/72/18/98/1357721898.db2.gz OEOOEBAUVHVZOI-OAHLLOKOSA-N 1 2 346.475 2.394 10 30 EEEELO C=CCC(C)(C)C(=O)N(C)C[C@H]1CC[N@H+]1CC(=O)N1CCC(C)CC1 ZINC001656092036 1354199064 /nfs/dbraw/zinc/19/90/64/1354199064.db2.gz DLXSMRKQPKGAGZ-QGZVFWFLSA-N 1 2 349.519 2.380 10 30 EEEELO C=CCC(C)(C)C(=O)N(C)C[C@H]1CC[N@@H+]1CC(=O)N1CCC(C)CC1 ZINC001656092036 1354199065 /nfs/dbraw/zinc/19/90/65/1354199065.db2.gz DLXSMRKQPKGAGZ-QGZVFWFLSA-N 1 2 349.519 2.380 10 30 EEEELO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2c(C)cc(C)c(F)c2C)C1 ZINC001656883713 1354293159 /nfs/dbraw/zinc/29/31/59/1354293159.db2.gz LXNGGPYUYWRHLM-OAHLLOKOSA-N 1 2 338.448 2.127 10 30 EEEELO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2c(C)cc(C)c(F)c2C)C1 ZINC001656883713 1354293161 /nfs/dbraw/zinc/29/31/61/1354293161.db2.gz LXNGGPYUYWRHLM-OAHLLOKOSA-N 1 2 338.448 2.127 10 30 EEEELO C#CCN1CC[NH+](CCNC(=O)c2ccc(C)c3ccccc23)CC1 ZINC001660942528 1354563376 /nfs/dbraw/zinc/56/33/76/1354563376.db2.gz GFYUFFNHIROLKC-UHFFFAOYSA-N 1 2 335.451 2.129 10 30 EEEELO C=CC(C)(C)C(=O)NC[C@H]1CCC[N@H+](Cc2nc(C3CC3)no2)C1 ZINC001661734804 1354685028 /nfs/dbraw/zinc/68/50/28/1354685028.db2.gz TZFBJAIHWPNRNQ-CYBMUJFWSA-N 1 2 332.448 2.487 10 30 EEEELO C=CC(C)(C)C(=O)NC[C@H]1CCC[N@@H+](Cc2nc(C3CC3)no2)C1 ZINC001661734804 1354685032 /nfs/dbraw/zinc/68/50/32/1354685032.db2.gz TZFBJAIHWPNRNQ-CYBMUJFWSA-N 1 2 332.448 2.487 10 30 EEEELO C=C1CC(C)(C(=O)NC[C@@H](C)[NH2+]Cc2nc([C@H](C)OCC)no2)C1 ZINC001662329220 1354781705 /nfs/dbraw/zinc/78/17/05/1354781705.db2.gz KMKDTIYWNRMVFV-OLZOCXBDSA-N 1 2 336.436 2.118 10 30 EEEELO C=C1CCC(C(=O)NCC[N@@H+](C)[C@H](C)C(=O)Nc2cc(C)no2)CC1 ZINC001663266858 1354942271 /nfs/dbraw/zinc/94/22/71/1354942271.db2.gz NKLBGEAJKGVJCW-CQSZACIVSA-N 1 2 348.447 2.104 10 30 EEEELO C=C1CCC(C(=O)NCC[N@H+](C)[C@H](C)C(=O)Nc2cc(C)no2)CC1 ZINC001663266858 1354942275 /nfs/dbraw/zinc/94/22/75/1354942275.db2.gz NKLBGEAJKGVJCW-CQSZACIVSA-N 1 2 348.447 2.104 10 30 EEEELO C=C[C@@](C)(CCOC)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1cc(C)n(C)n1 ZINC001663512405 1354975854 /nfs/dbraw/zinc/97/58/54/1354975854.db2.gz IMYLTFWVJURCTJ-HKUYNNGSSA-N 1 2 348.491 2.038 10 30 EEEELO C=C[C@@](C)(CCOC)C(=O)NC[C@@H]1CCC[N@H+]1Cc1cc(C)n(C)n1 ZINC001663512405 1354975857 /nfs/dbraw/zinc/97/58/57/1354975857.db2.gz IMYLTFWVJURCTJ-HKUYNNGSSA-N 1 2 348.491 2.038 10 30 EEEELO Cc1nnc([C@H](C)[NH2+][C@H](CNC(=O)C#CC(C)C)c2ccccc2)[nH]1 ZINC001664578335 1355195437 /nfs/dbraw/zinc/19/54/37/1355195437.db2.gz LWOQNZBXAZQVNW-WMLDXEAASA-N 1 2 339.443 2.281 10 30 EEEELO C[C@@H](CC[NH2+]Cc1nnsc1Cl)NC(=O)C#CC(C)(C)C ZINC001668055235 1355857290 /nfs/dbraw/zinc/85/72/90/1355857290.db2.gz QFNOOSVSXXZNQP-JTQLQIEISA-N 1 2 328.869 2.225 10 30 EEEELO C#CCN(C(=O)C(C)C)C1CC[NH+](CC(=C)Br)CC1 ZINC001671456352 1356342001 /nfs/dbraw/zinc/34/20/01/1356342001.db2.gz LDXOTDIFVIQYON-UHFFFAOYSA-N 1 2 327.266 2.477 10 30 EEEELO C#CCN(C(=O)c1cccc(-c2nnc[nH]2)c1)C1CC[NH+](CC)CC1 ZINC001671487765 1356348828 /nfs/dbraw/zinc/34/88/28/1356348828.db2.gz UFRNTCSXPWCHPG-UHFFFAOYSA-N 1 2 337.427 2.031 10 30 EEEELO C=C1CCC(C(=O)NC[C@@]2(C)CCC[N@@H+](Cc3cn(C)nn3)C2)CC1 ZINC001671901338 1356435202 /nfs/dbraw/zinc/43/52/02/1356435202.db2.gz NHWXGWQSDKVPKC-LJQANCHMSA-N 1 2 345.491 2.280 10 30 EEEELO C=C1CCC(C(=O)NC[C@@]2(C)CCC[N@H+](Cc3cn(C)nn3)C2)CC1 ZINC001671901338 1356435206 /nfs/dbraw/zinc/43/52/06/1356435206.db2.gz NHWXGWQSDKVPKC-LJQANCHMSA-N 1 2 345.491 2.280 10 30 EEEELO C=CCOCCCC(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2Cc1ccon1 ZINC001672516198 1356542430 /nfs/dbraw/zinc/54/24/30/1356542430.db2.gz SXSLQVBOHHNEDF-DLBZAZTESA-N 1 2 333.432 2.223 10 30 EEEELO C=CCOCCCC(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2Cc1ccon1 ZINC001672516198 1356542433 /nfs/dbraw/zinc/54/24/33/1356542433.db2.gz 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ZINC001485301392 1191726072 /nfs/dbraw/zinc/72/60/72/1191726072.db2.gz MRFQPUSQSXHDOE-RBFDBLARSA-N 1 2 341.455 2.399 10 30 EEEELO CCCC[C@H](C[NH2+]Cc1nnc(C(C)(C)C)o1)NC(=O)[C@@H](C)C#N ZINC001485461591 1191798444 /nfs/dbraw/zinc/79/84/44/1191798444.db2.gz NHVSYGUNLZFQML-QWHCGFSZSA-N 1 2 335.452 2.291 10 30 EEEELO C=C(Cl)C[N@@H+](C)CCN(C(=O)[C@H]1CCN(C(=O)CC)C1)C(C)C ZINC001486379041 1193889252 /nfs/dbraw/zinc/88/92/52/1193889252.db2.gz UAZJDYOLHKDOCU-HNNXBMFYSA-N 1 2 343.899 2.166 10 30 EEEELO C=C(Cl)C[N@H+](C)CCN(C(=O)[C@H]1CCN(C(=O)CC)C1)C(C)C ZINC001486379041 1193889254 /nfs/dbraw/zinc/88/92/54/1193889254.db2.gz UAZJDYOLHKDOCU-HNNXBMFYSA-N 1 2 343.899 2.166 10 30 EEEELO C[C@@H](C#N)C(=O)N(C)C1CC([NH2+]Cc2noc(C3CCCCC3)n2)C1 ZINC001486457754 1193978922 /nfs/dbraw/zinc/97/89/22/1193978922.db2.gz JWXZCPURNPCKAG-GRTSSRMGSA-N 1 2 345.447 2.356 10 30 EEEELO C#CCCCC(=O)N(C)C[C@H]1CCCN1C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001486554209 1194069612 /nfs/dbraw/zinc/06/96/12/1194069612.db2.gz 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C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC1(c2ccccc2Cl)CCC1 ZINC000884381858 1202306500 /nfs/dbraw/zinc/30/65/00/1202306500.db2.gz SVSTZSFGWUQGAN-AWEZNQCLSA-N 1 2 336.819 2.282 10 30 EEEELO C=CCCC[C@@H](NC(=O)Cc1ccc(-n2cc[nH+]c2)cc1)C(=O)OC ZINC000928323316 1206373357 /nfs/dbraw/zinc/37/33/57/1206373357.db2.gz OOXDMOXEVFLTLS-QGZVFWFLSA-N 1 2 341.411 2.429 10 30 EEEELO COc1cc(N2CC[NH+](Cc3cncc(C#N)c3)CC2)ccc1F ZINC000930355962 1206551897 /nfs/dbraw/zinc/55/18/97/1206551897.db2.gz ZAWPEBWUJRFABZ-UHFFFAOYSA-N 1 2 326.375 2.423 10 30 EEEELO Cc1cc(C[NH+]2CCN(c3ccc(F)cc3C#N)CC2)c(C)nn1 ZINC000931547563 1207409917 /nfs/dbraw/zinc/40/99/17/1207409917.db2.gz BAEBPHWAEDQVQO-UHFFFAOYSA-N 1 2 325.391 2.426 10 30 EEEELO CCOCCCC(=O)N[C@H](C)C1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001276342517 1215816233 /nfs/dbraw/zinc/81/62/33/1215816233.db2.gz NTNIZKZYWXZODR-CQSZACIVSA-N 1 2 347.434 2.451 10 30 EEEELO COC[C@@]1(C(=O)OC)CCC[N@@H+]1Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000827488453 1248185011 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C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)Cc1ccccc1F)O2 ZINC001273669022 1282825874 /nfs/dbraw/zinc/82/58/74/1282825874.db2.gz LAOMCJICSBHXOK-INIZCTEOSA-N 1 2 332.419 2.294 10 30 EEEELO C=C1CCC(C(=O)NC[C@@H]2CCC3(C[NH+](CCOCC)C3)O2)CC1 ZINC001273669640 1282839506 /nfs/dbraw/zinc/83/95/06/1282839506.db2.gz WGHJJZPSGGONEA-KRWDZBQOSA-N 1 2 336.476 2.119 10 30 EEEELO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@H](CC(=O)NCc2ccc(F)cc2)C1 ZINC001195525355 1283598896 /nfs/dbraw/zinc/59/88/96/1283598896.db2.gz BLXMZKSBFRHADJ-NVXWUHKLSA-N 1 2 348.418 2.272 10 30 EEEELO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@H](CC(=O)NCc2ccc(F)cc2)C1 ZINC001195525355 1283598907 /nfs/dbraw/zinc/59/89/07/1283598907.db2.gz BLXMZKSBFRHADJ-NVXWUHKLSA-N 1 2 348.418 2.272 10 30 EEEELO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)C[C@@H]1CC(C)(C)CO1 ZINC001273823310 1286447646 /nfs/dbraw/zinc/44/76/46/1286447646.db2.gz AZPJYVKAXUMMQS-RTBURBONSA-N 1 2 340.467 2.368 10 30 EEEELO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)C[C@@H]1CC(C)(C)CO1 ZINC001273823310 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C=C1CCC(C(=O)N[C@H]2CC[N@H+](CC(=O)N[C@H](C)C(C)C)C2)CC1 ZINC001661019674 1354574184 /nfs/dbraw/zinc/57/41/84/1354574184.db2.gz DNABZVXNKIAFLD-WBVHZDCISA-N 1 2 335.492 2.084 10 30 EEEELO C=C1CC(C)(C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](Cc3cnn(CC)n3)C2)C1 ZINC001662012448 1354742153 /nfs/dbraw/zinc/74/21/53/1354742153.db2.gz SQRGTAOSBSORQQ-JKSUJKDBSA-N 1 2 345.491 2.371 10 30 EEEELO C=C1CC(C)(C(=O)N[C@@H](C)[C@@H]2CCC[N@H+](Cc3cnn(CC)n3)C2)C1 ZINC001662012448 1354742156 /nfs/dbraw/zinc/74/21/56/1354742156.db2.gz SQRGTAOSBSORQQ-JKSUJKDBSA-N 1 2 345.491 2.371 10 30 EEEELO C=CCOCCCC(=O)N1CCC[C@H]([N@@H+](C)[C@H](C)c2ncccn2)C1 ZINC001662829338 1354856966 /nfs/dbraw/zinc/85/69/66/1354856966.db2.gz YHGBFSPNMRRBOL-SJORKVTESA-N 1 2 346.475 2.443 10 30 EEEELO C=CCOCCCC(=O)N1CCC[C@H]([N@H+](C)[C@H](C)c2ncccn2)C1 ZINC001662829338 1354856969 /nfs/dbraw/zinc/85/69/69/1354856969.db2.gz YHGBFSPNMRRBOL-SJORKVTESA-N 1 2 346.475 2.443 10 30 EEEELO C=CC(C)(C)CC(=O)NCC[N@@H+](C)CC(=O)N(C)C1CCCCC1 ZINC001663192472 1354933566 /nfs/dbraw/zinc/93/35/66/1354933566.db2.gz HURKOLJRWQGKOZ-UHFFFAOYSA-N 1 2 337.508 2.428 10 30 EEEELO C=CC(C)(C)CC(=O)NCC[N@H+](C)CC(=O)N(C)C1CCCCC1 ZINC001663192472 1354933569 /nfs/dbraw/zinc/93/35/69/1354933569.db2.gz HURKOLJRWQGKOZ-UHFFFAOYSA-N 1 2 337.508 2.428 10 30 EEEELO C=C(C)CN(CC)C(=O)C[N@H+](C)CCNC(=O)[C@@H](C)C(C)(C)C ZINC001663209842 1354935741 /nfs/dbraw/zinc/93/57/41/1354935741.db2.gz QDNNPTBTADSBSZ-OAHLLOKOSA-N 1 2 325.497 2.141 10 30 EEEELO C=C(C)CN(CC)C(=O)C[N@@H+](C)CCNC(=O)[C@@H](C)C(C)(C)C ZINC001663209842 1354935746 /nfs/dbraw/zinc/93/57/46/1354935746.db2.gz QDNNPTBTADSBSZ-OAHLLOKOSA-N 1 2 325.497 2.141 10 30 EEEELO CC(C)(C)C(=O)C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001663482157 1354968535 /nfs/dbraw/zinc/96/85/35/1354968535.db2.gz QAXNBUDRJWNGPK-OAHLLOKOSA-N 1 2 345.418 2.393 10 30 EEEELO CC(C)(C)C(=O)C(=O)NC[C@H]1CCC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC001663482157 1354968537 /nfs/dbraw/zinc/96/85/37/1354968537.db2.gz QAXNBUDRJWNGPK-OAHLLOKOSA-N 1 2 345.418 2.393 10 30 EEEELO CC(C)(C)C(=O)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001663482156 1354969124 /nfs/dbraw/zinc/96/91/24/1354969124.db2.gz QAXNBUDRJWNGPK-HNNXBMFYSA-N 1 2 345.418 2.393 10 30 EEEELO CC(C)(C)C(=O)C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC001663482156 1354969125 /nfs/dbraw/zinc/96/91/25/1354969125.db2.gz QAXNBUDRJWNGPK-HNNXBMFYSA-N 1 2 345.418 2.393 10 30 EEEELO C=C(C)CCC(=O)NC[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cc(C)no2)C1 ZINC001663592274 1354994731 /nfs/dbraw/zinc/99/47/31/1354994731.db2.gz DYWUSUFXKFMTEE-GJZGRUSLSA-N 1 2 348.447 2.104 10 30 EEEELO C=C(C)CCC(=O)NC[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cc(C)no2)C1 ZINC001663592274 1354994734 /nfs/dbraw/zinc/99/47/34/1354994734.db2.gz DYWUSUFXKFMTEE-GJZGRUSLSA-N 1 2 348.447 2.104 10 30 EEEELO C=CCCC(=O)NCC1C[NH+]([C@H](C)C(=O)N(CC)c2ccccc2)C1 ZINC001665263018 1355284273 /nfs/dbraw/zinc/28/42/73/1355284273.db2.gz HOHKCOQASUQNJY-MRXNPFEDSA-N 1 2 343.471 2.442 10 30 EEEELO C=CC(C)(C)CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccc(OC)nn2)C1 ZINC001665637233 1355343680 /nfs/dbraw/zinc/34/36/80/1355343680.db2.gz PMYNPLGRESZRAG-OAHLLOKOSA-N 1 2 332.448 2.120 10 30 EEEELO C=CC(C)(C)CC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccc(OC)nn2)C1 ZINC001665637233 1355343687 /nfs/dbraw/zinc/34/36/87/1355343687.db2.gz PMYNPLGRESZRAG-OAHLLOKOSA-N 1 2 332.448 2.120 10 30 EEEELO CC#CCCCC(=O)N(C)CC[N@H+](C)CC(=O)Nc1ccccc1F ZINC001667610981 1355769228 /nfs/dbraw/zinc/76/92/28/1355769228.db2.gz DOWPWHIDZQDJRR-UHFFFAOYSA-N 1 2 347.434 2.348 10 30 EEEELO CC#CCCCC(=O)N(C)CC[N@@H+](C)CC(=O)Nc1ccccc1F ZINC001667610981 1355769232 /nfs/dbraw/zinc/76/92/32/1355769232.db2.gz DOWPWHIDZQDJRR-UHFFFAOYSA-N 1 2 347.434 2.348 10 30 EEEELO C=C1CC(C)(C(=O)N[C@@H](C[NH2+]Cc2nnc(C)o2)C2CCCC2)C1 ZINC001671554238 1356361826 /nfs/dbraw/zinc/36/18/26/1356361826.db2.gz MIDYYPLLTYDDCP-HNNXBMFYSA-N 1 2 332.448 2.499 10 30 EEEELO C#CCO[C@@H](C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C/C(Cl)=C/Cl ZINC001671577541 1356365945 /nfs/dbraw/zinc/36/59/45/1356365945.db2.gz NPAJUMVUYBCMEP-HTSCGXFISA-N 1 2 345.270 2.409 10 30 EEEELO C#CCO[C@@H](C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C/C(Cl)=C/Cl ZINC001671577541 1356365946 /nfs/dbraw/zinc/36/59/46/1356365946.db2.gz NPAJUMVUYBCMEP-HTSCGXFISA-N 1 2 345.270 2.409 10 30 EEEELO C=C[C@H](CC)CC(=O)N1C[C@@H]2C[N@@H+](Cc3nc(C4CC4)no3)C[C@@H]2C1 ZINC001672429981 1356521158 /nfs/dbraw/zinc/52/11/58/1356521158.db2.gz OYCHUCJLDWLRCN-BMFZPTHFSA-N 1 2 344.459 2.440 10 30 EEEELO C=C[C@H](CC)CC(=O)N1C[C@@H]2C[N@H+](Cc3nc(C4CC4)no3)C[C@@H]2C1 ZINC001672429981 1356521159 /nfs/dbraw/zinc/52/11/59/1356521159.db2.gz OYCHUCJLDWLRCN-BMFZPTHFSA-N 1 2 344.459 2.440 10 30 EEEELO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)C[C@@H]1CCC(C)(C)CO1)O2 ZINC001673533829 1356705919 /nfs/dbraw/zinc/70/59/19/1356705919.db2.gz TUDRAHVLWSWSFB-HOTGVXAUSA-N 1 2 336.476 2.117 10 30 EEEELO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H](C)Oc1cccc(F)c1)O2 ZINC001673533574 1356705923 /nfs/dbraw/zinc/70/59/23/1356705923.db2.gz 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C#CCCCCC(=O)N[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2)C1 ZINC001267740371 1180352885 /nfs/dbraw/zinc/35/28/85/1180352885.db2.gz CURLESBYLYFOPQ-QGZVFWFLSA-N 1 2 327.428 2.009 10 30 EEEELO C#CCCCCC(=O)N[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2)C1 ZINC001267740371 1180352893 /nfs/dbraw/zinc/35/28/93/1180352893.db2.gz CURLESBYLYFOPQ-QGZVFWFLSA-N 1 2 327.428 2.009 10 30 EEEELO COC[C@@H](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1C#N ZINC001481386192 1181175594 /nfs/dbraw/zinc/17/55/94/1181175594.db2.gz SMHBYSQNQZBNSW-ZYSHUDEJSA-N 1 2 341.455 2.406 10 30 EEEELO COC[C@@H](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1C#N ZINC001481386192 1181175597 /nfs/dbraw/zinc/17/55/97/1181175597.db2.gz SMHBYSQNQZBNSW-ZYSHUDEJSA-N 1 2 341.455 2.406 10 30 EEEELO CC#CCCCC(=O)NCC1([NH2+]Cc2noc(CC)n2)CCCC1 ZINC001268037776 1181384054 /nfs/dbraw/zinc/38/40/54/1181384054.db2.gz MNIAUWZTVIJWFG-UHFFFAOYSA-N 1 2 332.448 2.344 10 30 EEEELO C=C(C)C(C)(C)C(=O)N(C)[C@@H](C[NH2+]Cc1nc(N(C)C)no1)C1CC1 ZINC001485820086 1193105727 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SHIIQUKWKDNRFU-GBESFXJTSA-N 1 2 344.430 2.254 10 30 EEEELO C=CCOCCCC(=O)N[C@H]1CC[N@@H+](Cc2ccncc2Cl)C1 ZINC001481686586 1182208556 /nfs/dbraw/zinc/20/85/56/1182208556.db2.gz KZLVQTYKNASNBK-HNNXBMFYSA-N 1 2 337.851 2.408 10 30 EEEELO C=CCOCCCC(=O)N[C@H]1CC[N@H+](Cc2ccncc2Cl)C1 ZINC001481686586 1182208561 /nfs/dbraw/zinc/20/85/61/1182208561.db2.gz KZLVQTYKNASNBK-HNNXBMFYSA-N 1 2 337.851 2.408 10 30 EEEELO CO[C@H](C(=O)N[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1)C1CCC1 ZINC001481691586 1182217088 /nfs/dbraw/zinc/21/70/88/1182217088.db2.gz DWTDRJLVOAMEBR-WMZOPIPTSA-N 1 2 345.418 2.203 10 30 EEEELO CO[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1)C1CCC1 ZINC001481691586 1182217094 /nfs/dbraw/zinc/21/70/94/1182217094.db2.gz DWTDRJLVOAMEBR-WMZOPIPTSA-N 1 2 345.418 2.203 10 30 EEEELO CN(C(=O)C(F)C(F)(F)F)[C@@H]1CC[N@H+](Cc2cccc(C#N)c2)C1 ZINC001481727096 1182385359 /nfs/dbraw/zinc/38/53/59/1182385359.db2.gz HJKFICLIZMSEMZ-KGLIPLIRSA-N 1 2 343.324 2.491 10 30 EEEELO 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1283914818 /nfs/dbraw/zinc/91/48/18/1283914818.db2.gz TXFPOYONGNPTIV-QAPCUYQASA-N 1 2 336.476 2.117 10 30 EEEELO C#CCCCC(=O)N1CCC(N(C)C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001487558323 1286005064 /nfs/dbraw/zinc/00/50/64/1286005064.db2.gz QXQHSZKVHNUPLS-MRXNPFEDSA-N 1 2 344.459 2.087 10 30 EEEELO C=C(C)C(C)(C)C(=O)N(C)[C@H](CNC(=O)CCc1[nH]cc[nH+]1)C1CC1 ZINC001487672188 1286308713 /nfs/dbraw/zinc/30/87/13/1286308713.db2.gz VYCPMBDJEFWFBK-OAHLLOKOSA-N 1 2 346.475 2.298 10 30 EEEELO CC(C)C#CC(=O)N(C)C[C@@H](C)NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001487769009 1286393629 /nfs/dbraw/zinc/39/36/29/1286393629.db2.gz ISIBQJVCZUZKKS-IAGOWNOFSA-N 1 2 346.475 2.093 10 30 EEEELO C=CCC(C)(C)C(=O)N[C@@H]1C[C@H](C)N(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001488193358 1286937919 /nfs/dbraw/zinc/93/79/19/1286937919.db2.gz SFCBJSQHQGDZHL-DZGCQCFKSA-N 1 2 332.448 2.050 10 30 EEEELO C=CCC(C)(C)C(=O)N[C@@H]1C[C@H](C)N(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001488193358 1286937921 /nfs/dbraw/zinc/93/79/21/1286937921.db2.gz 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C=C1CC(C)(C(=O)N(C)C[C@@H]2CC[N@@H+]2Cc2ccc(OC)nc2)C1 ZINC001264371701 1322678055 /nfs/dbraw/zinc/67/80/55/1322678055.db2.gz YWJAFVGNAAUWEZ-INIZCTEOSA-N 1 2 329.444 2.479 10 30 EEEELO C#CCCCC(=O)N[C@H]1CC[N@H+](Cc2nc(CC3CC3)no2)[C@@H]1CC ZINC001264606216 1322749571 /nfs/dbraw/zinc/74/95/71/1322749571.db2.gz IMERCMVLVSQAKO-JKSUJKDBSA-N 1 2 344.459 2.295 10 30 EEEELO C#CCCCC(=O)N[C@H]1CC[N@@H+](Cc2nc(CC3CC3)no2)[C@@H]1CC ZINC001264606216 1322749574 /nfs/dbraw/zinc/74/95/74/1322749574.db2.gz IMERCMVLVSQAKO-JKSUJKDBSA-N 1 2 344.459 2.295 10 30 EEEELO C=CCOCC(=O)N1CCCC[C@H]1C[N@@H+](C)[C@@H](C)c1ncccn1 ZINC001264739139 1322796491 /nfs/dbraw/zinc/79/64/91/1322796491.db2.gz SHFXAGHBEAAKAG-HOTGVXAUSA-N 1 2 332.448 2.053 10 30 EEEELO C=CCOCC(=O)N1CCCC[C@H]1C[N@H+](C)[C@@H](C)c1ncccn1 ZINC001264739139 1322796496 /nfs/dbraw/zinc/79/64/96/1322796496.db2.gz SHFXAGHBEAAKAG-HOTGVXAUSA-N 1 2 332.448 2.053 10 30 EEEELO C#CC[NH2+]Cc1nc2c(s1)CCN(C(=O)CC[C@H]1CCCCO1)C2 ZINC001264748078 1322801850 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10 30 EEEELO COc1ccc([C@@H]2C3=C(CCCC3=O)O[C@@H]([NH3+])[C@H]2C#N)cc1OC ZINC000095081056 463065119 /nfs/dbraw/zinc/06/51/19/463065119.db2.gz XWCLDIVPZUIWAG-SDDDUWNISA-N 1 2 328.368 2.249 10 30 EEEELO C[C@]12CC[N@H+](CCS(=O)(=O)c3cccc(C#N)c3)C[C@H]1C2(F)F ZINC000568464828 468337971 /nfs/dbraw/zinc/33/79/71/468337971.db2.gz PEYOEYNCFKUOLA-CABCVRRESA-N 1 2 340.395 2.309 10 30 EEEELO C[C@]12CC[N@@H+](CCS(=O)(=O)c3cccc(C#N)c3)C[C@H]1C2(F)F ZINC000568464828 468337975 /nfs/dbraw/zinc/33/79/75/468337975.db2.gz PEYOEYNCFKUOLA-CABCVRRESA-N 1 2 340.395 2.309 10 30 EEEELO CCc1noc([C@H](C)N2CC[NH+](Cc3cccc(C#N)c3)CC2)n1 ZINC000069421324 463244841 /nfs/dbraw/zinc/24/48/41/463244841.db2.gz FCJHQHHFJKKWPE-AWEZNQCLSA-N 1 2 325.416 2.382 10 30 EEEELO N#Cc1ccc(CCC(=O)NCc2cccnc2-n2cc[nH+]c2)cc1 ZINC000029912556 463278750 /nfs/dbraw/zinc/27/87/50/463278750.db2.gz PJKQXLMWMTZIHH-UHFFFAOYSA-N 1 2 331.379 2.388 10 30 EEEELO COC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000171062608 463772838 /nfs/dbraw/zinc/77/28/38/463772838.db2.gz RLOPSSHGXASPIX-GFCCVEGCSA-N 1 2 335.791 2.035 10 30 EEEELO COC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000171062608 463772840 /nfs/dbraw/zinc/77/28/40/463772840.db2.gz RLOPSSHGXASPIX-GFCCVEGCSA-N 1 2 335.791 2.035 10 30 EEEELO CC(=O)N1CC[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)[C@H](C)C1 ZINC000269601250 464031233 /nfs/dbraw/zinc/03/12/33/464031233.db2.gz LDNYRHAGSPHMTC-CYBMUJFWSA-N 1 2 340.345 2.489 10 30 EEEELO CC(=O)N1CC[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)[C@H](C)C1 ZINC000269601250 464031238 /nfs/dbraw/zinc/03/12/38/464031238.db2.gz LDNYRHAGSPHMTC-CYBMUJFWSA-N 1 2 340.345 2.489 10 30 EEEELO CC(C)[C@@H]1[N@H+](CCS(=O)(=O)c2ccc(C#N)cn2)CC12CCC2 ZINC000291968845 464163038 /nfs/dbraw/zinc/16/30/38/464163038.db2.gz SOYRDAAIIQFSQB-INIZCTEOSA-N 1 2 333.457 2.237 10 30 EEEELO CC(C)[C@@H]1[N@@H+](CCS(=O)(=O)c2ccc(C#N)cn2)CC12CCC2 ZINC000291968845 464163042 /nfs/dbraw/zinc/16/30/42/464163042.db2.gz SOYRDAAIIQFSQB-INIZCTEOSA-N 1 2 333.457 2.237 10 30 EEEELO C[N@@H+]1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)[C@H]1c1ccc(F)c(F)c1 ZINC000270659242 464263361 /nfs/dbraw/zinc/26/33/61/464263361.db2.gz CEMWAOQTUMQJEQ-GOEBONIOSA-N 1 2 330.338 2.340 10 30 EEEELO C[N@H+]1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)[C@H]1c1ccc(F)c(F)c1 ZINC000270659242 464263369 /nfs/dbraw/zinc/26/33/69/464263369.db2.gz CEMWAOQTUMQJEQ-GOEBONIOSA-N 1 2 330.338 2.340 10 30 EEEELO C=C(C)CN(C)C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1 ZINC000180638290 464356068 /nfs/dbraw/zinc/35/60/68/464356068.db2.gz OCEBPSXVZHEKIB-HUUCEWRRSA-N 1 2 332.448 2.413 10 30 EEEELO C[N@@H+](C[C@H](c1cccs1)N1CCOCC1)C[C@@H](C#N)CCC#N ZINC000247030480 464643472 /nfs/dbraw/zinc/64/34/72/464643472.db2.gz DDCYNTQHYBOVMI-HZPDHXFCSA-N 1 2 332.473 2.497 10 30 EEEELO C[N@H+](C[C@H](c1cccs1)N1CCOCC1)C[C@@H](C#N)CCC#N ZINC000247030480 464643478 /nfs/dbraw/zinc/64/34/78/464643478.db2.gz DDCYNTQHYBOVMI-HZPDHXFCSA-N 1 2 332.473 2.497 10 30 EEEELO CN(C[C@H](c1cccs1)[NH+]1CCOCC1)C[C@@H](C#N)CCC#N ZINC000247030480 464643487 /nfs/dbraw/zinc/64/34/87/464643487.db2.gz DDCYNTQHYBOVMI-HZPDHXFCSA-N 1 2 332.473 2.497 10 30 EEEELO C=CC[N@@H+](Cc1cc(Cl)c(F)cc1O)[C@H]1CCS(=O)(=O)C1 ZINC000295378779 464809064 /nfs/dbraw/zinc/80/90/64/464809064.db2.gz OZFJQWWTLQGGAO-NSHDSACASA-N 1 2 333.812 2.360 10 30 EEEELO C=CC[N@H+](Cc1cc(Cl)c(F)cc1O)[C@H]1CCS(=O)(=O)C1 ZINC000295378779 464809068 /nfs/dbraw/zinc/80/90/68/464809068.db2.gz OZFJQWWTLQGGAO-NSHDSACASA-N 1 2 333.812 2.360 10 30 EEEELO CCN(CC)C(=O)C[NH+]1CCN(CC#Cc2ccc(Cl)cc2)CC1 ZINC000176994814 464900600 /nfs/dbraw/zinc/90/06/00/464900600.db2.gz JVDNTSFSMAJYAM-UHFFFAOYSA-N 1 2 347.890 2.178 10 30 EEEELO C[C@@H]1C[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)CC(=O)N1C ZINC000282736819 464927513 /nfs/dbraw/zinc/92/75/13/464927513.db2.gz MTOCBKAHWNZHSL-OAHLLOKOSA-N 1 2 337.427 2.126 10 30 EEEELO C[C@@H]1C[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)CC(=O)N1C ZINC000282736819 464927519 /nfs/dbraw/zinc/92/75/19/464927519.db2.gz MTOCBKAHWNZHSL-OAHLLOKOSA-N 1 2 337.427 2.126 10 30 EEEELO C[C@H](C(=O)Nc1ccccc1)[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000253373105 464996074 /nfs/dbraw/zinc/99/60/74/464996074.db2.gz HRGRGZDOHLSSIV-OAHLLOKOSA-N 1 2 335.411 2.102 10 30 EEEELO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(c2cnccc2C)CC1 ZINC000342770568 465348813 /nfs/dbraw/zinc/34/88/13/465348813.db2.gz VLMOFFQPFCPKNQ-QGZVFWFLSA-N 1 2 328.460 2.101 10 30 EEEELO C=CCNC(=O)C[NH+]1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000339920070 465604763 /nfs/dbraw/zinc/60/47/63/465604763.db2.gz AEPYUOACELIBSW-UHFFFAOYSA-N 1 2 342.270 2.413 10 30 EEEELO COc1cccc(OCC[NH+]2CCN(C(=O)CCCCC#N)CC2)c1 ZINC000593992542 468454150 /nfs/dbraw/zinc/45/41/50/468454150.db2.gz BMGYQDXCGVHCCN-UHFFFAOYSA-N 1 2 345.443 2.302 10 30 EEEELO C=CCNC(=O)C[NH+]1CCN([C@@H](C)c2ccc(F)c(Cl)c2)CC1 ZINC000345238028 465847108 /nfs/dbraw/zinc/84/71/08/465847108.db2.gz LMZGDSQQFOGKMV-ZDUSSCGKSA-N 1 2 339.842 2.460 10 30 EEEELO C[C@@H](C[NH+]1CCOCC1)NC(=O)Nc1cc(Cl)c(Cl)cn1 ZINC000330987251 465887191 /nfs/dbraw/zinc/88/71/91/465887191.db2.gz QRHVDOWTBBKQFS-VIFPVBQESA-N 1 2 333.219 2.435 10 30 EEEELO C[C@H](CNC(=O)c1c(F)cc(C#N)cc1F)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594098548 468484015 /nfs/dbraw/zinc/48/40/15/468484015.db2.gz ILMDYXOKDYMRJO-UTUOFQBUSA-N 1 2 337.370 2.064 10 30 EEEELO C[C@H](CNC(=O)c1c(F)cc(C#N)cc1F)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594098548 468484021 /nfs/dbraw/zinc/48/40/21/468484021.db2.gz ILMDYXOKDYMRJO-UTUOFQBUSA-N 1 2 337.370 2.064 10 30 EEEELO CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)c1ccc(C#N)nc1 ZINC000362024064 466491912 /nfs/dbraw/zinc/49/19/12/466491912.db2.gz LCMPOGWYWIKFAP-UHFFFAOYSA-N 1 2 331.379 2.470 10 30 EEEELO COC(=O)c1cc(C[N@H+](C[C@H](C)C#N)C2CC2)cc(C(=O)OC)c1 ZINC000347278495 466530233 /nfs/dbraw/zinc/53/02/33/466530233.db2.gz QOOCVZJVBCIHDG-GFCCVEGCSA-N 1 2 330.384 2.384 10 30 EEEELO COC(=O)c1cc(C[N@@H+](C[C@H](C)C#N)C2CC2)cc(C(=O)OC)c1 ZINC000347278495 466530243 /nfs/dbraw/zinc/53/02/43/466530243.db2.gz QOOCVZJVBCIHDG-GFCCVEGCSA-N 1 2 330.384 2.384 10 30 EEEELO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@H](C)[N@@H+]2Cc2ccc(C#N)c(F)c2)O1 ZINC000374506807 466656580 /nfs/dbraw/zinc/65/65/80/466656580.db2.gz QKWDEJOETLBGJH-QYHDQYMBSA-N 1 2 332.375 2.381 10 30 EEEELO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@H](C)[N@H+]2Cc2ccc(C#N)c(F)c2)O1 ZINC000374506807 466656585 /nfs/dbraw/zinc/65/65/85/466656585.db2.gz QKWDEJOETLBGJH-QYHDQYMBSA-N 1 2 332.375 2.381 10 30 EEEELO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc(C#N)nc1)c1ccccc1F ZINC000365260429 466760250 /nfs/dbraw/zinc/76/02/50/466760250.db2.gz RXSFSYVEMLGRKU-INIZCTEOSA-N 1 2 335.342 2.345 10 30 EEEELO Cc1cc(C)c(NC(=O)C(=O)NCC2CCC(C#N)CC2)c(C)[nH+]1 ZINC000411503790 466836986 /nfs/dbraw/zinc/83/69/86/466836986.db2.gz YEMABVMYXGMMRU-UHFFFAOYSA-N 1 2 328.416 2.392 10 30 EEEELO Cc1cccc2c(C(=O)N(CCC#N)CC[NH+]3CCOCC3)coc21 ZINC000424627486 467078002 /nfs/dbraw/zinc/07/80/02/467078002.db2.gz KVQQHJZSEOUURB-UHFFFAOYSA-N 1 2 341.411 2.429 10 30 EEEELO CC(C)(C)N1CC[C@@H]([NH+]2CCN([C@H](C#N)c3ccccc3)CC2)C1=O ZINC000425420440 467093618 /nfs/dbraw/zinc/09/36/18/467093618.db2.gz SLFIDEJOXQHENA-QZTJIDSGSA-N 1 2 340.471 2.268 10 30 EEEELO CN([C@H](c1[nH]cc[nH+]1)c1ccccc1)S(=O)(=O)CC1(C#N)CCC1 ZINC000432260763 467226438 /nfs/dbraw/zinc/22/64/38/467226438.db2.gz WETDQPAUEQKKHO-HNNXBMFYSA-N 1 2 344.440 2.455 10 30 EEEELO N#CC1(NC(=O)C[NH+]2CC(c3nc4ccccc4s3)C2)CCC1 ZINC000526135677 467650391 /nfs/dbraw/zinc/65/03/91/467650391.db2.gz QYBUEDVNMGBTCE-UHFFFAOYSA-N 1 2 326.425 2.258 10 30 EEEELO Cc1cc(NCCNc2nc(C#N)c(Cl)s2)nc(C(C)C)[nH+]1 ZINC000528154629 467676086 /nfs/dbraw/zinc/67/60/86/467676086.db2.gz GVBCDEYJJUFDKS-UHFFFAOYSA-N 1 2 336.852 2.258 10 30 EEEELO CC(C)(C)OC(=O)c1ccc(C[NH+]2CCN(C(=O)CC#N)CC2)cc1 ZINC000576765228 468171805 /nfs/dbraw/zinc/17/18/05/468171805.db2.gz JFZKKEDGUPFTJU-UHFFFAOYSA-N 1 2 343.427 2.200 10 30 EEEELO N#Cc1c[nH]c(C(=O)N2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)c1 ZINC000600679517 468618220 /nfs/dbraw/zinc/61/82/20/468618220.db2.gz XNBDCEORRAWEGV-UHFFFAOYSA-N 1 2 333.395 2.326 10 30 EEEELO C[C@H](C(=O)N1CC[C@](C)(C#N)C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000598414163 468859085 /nfs/dbraw/zinc/85/90/85/468859085.db2.gz ZVCNKGHNZAXGSJ-DNVCBOLYSA-N 1 2 344.434 2.098 10 30 EEEELO N#CC[C@H]1CCCN(C(=O)NCc2[nH+]ccn2CC(F)(F)F)C1 ZINC000595496928 468875651 /nfs/dbraw/zinc/87/56/51/468875651.db2.gz JGXXMBJYBSEPID-LLVKDONJSA-N 1 2 329.326 2.281 10 30 EEEELO N#CCCN(CCC#N)C(=O)C[NH2+][C@@H](C(F)F)C1CCCCC1 ZINC000598651058 468946051 /nfs/dbraw/zinc/94/60/51/468946051.db2.gz VYBJIXTUPGKNPV-OAHLLOKOSA-N 1 2 326.391 2.446 10 30 EEEELO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCc2c(cccc2C(N)=O)C1 ZINC000595902732 469074219 /nfs/dbraw/zinc/07/42/19/469074219.db2.gz MMCSYGAFSOVABI-ZDUSSCGKSA-N 1 2 348.406 2.042 10 30 EEEELO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCc2c(cccc2C(N)=O)C1 ZINC000595902732 469074226 /nfs/dbraw/zinc/07/42/26/469074226.db2.gz MMCSYGAFSOVABI-ZDUSSCGKSA-N 1 2 348.406 2.042 10 30 EEEELO C[C@H](c1cccc(F)c1)[NH+]1CCN(CC(=O)NC2(C#N)CCC2)CC1 ZINC000615226473 469186154 /nfs/dbraw/zinc/18/61/54/469186154.db2.gz YDYRPCZXINNEFG-OAHLLOKOSA-N 1 2 344.434 2.067 10 30 EEEELO CC(C)[C@@H]([NH2+]C[C@H](O)CC1(C#N)CCOCC1)C(=O)OC(C)(C)C ZINC000599353723 469224279 /nfs/dbraw/zinc/22/42/79/469224279.db2.gz OJXLVPNBFBVIFZ-HUUCEWRRSA-N 1 2 340.464 2.014 10 30 EEEELO N#CCc1ccc(CS(=O)(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000564914285 469263361 /nfs/dbraw/zinc/26/33/61/469263361.db2.gz ZFJNSUKMNNWSHL-MRXNPFEDSA-N 1 2 344.440 2.185 10 30 EEEELO COC(=O)c1cccc(C[N@@H+]2CCC[C@H]2c2ccc(=O)[nH]n2)c1C#N ZINC000599640880 469319759 /nfs/dbraw/zinc/31/97/59/469319759.db2.gz ILNXWDWMLGYNEE-INIZCTEOSA-N 1 2 338.367 2.178 10 30 EEEELO COC(=O)c1cccc(C[N@H+]2CCC[C@H]2c2ccc(=O)[nH]n2)c1C#N ZINC000599640880 469319764 /nfs/dbraw/zinc/31/97/64/469319764.db2.gz ILNXWDWMLGYNEE-INIZCTEOSA-N 1 2 338.367 2.178 10 30 EEEELO Cc1cn2c([nH+]1)C[C@@H](C(=O)N[C@@]1(C#N)CCc3ccccc3C1)CC2 ZINC000599771118 469363177 /nfs/dbraw/zinc/36/31/77/469363177.db2.gz FDUABDKQVYBSIR-JXFKEZNVSA-N 1 2 334.423 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C=C(C)CCC(=O)NC1(CNC(=O)Cn2cc[nH+]c2)CCCCC1 ZINC001487085012 1197192994 /nfs/dbraw/zinc/19/29/94/1197192994.db2.gz LHWQGYGMJDCYRG-UHFFFAOYSA-N 1 2 332.448 2.175 10 30 EEEELO C=CC[C@H](C(=O)OC)[NH+]1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000878037437 1200227797 /nfs/dbraw/zinc/22/77/97/1200227797.db2.gz XSAZVEJPGIGSCL-OAHLLOKOSA-N 1 2 342.399 2.429 10 30 EEEELO C=CC[C@@H](C(=O)OC)[N@@H+]1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000878176116 1200305060 /nfs/dbraw/zinc/30/50/60/1200305060.db2.gz IGYFNPGJNJZFIU-SFHVURJKSA-N 1 2 344.455 2.271 10 30 EEEELO C=CC[C@@H](C(=O)OC)[N@H+]1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000878176116 1200305066 /nfs/dbraw/zinc/30/50/66/1200305066.db2.gz IGYFNPGJNJZFIU-SFHVURJKSA-N 1 2 344.455 2.271 10 30 EEEELO C[C@@H]([NH2+]CCc1nnc2n1CCCCC2)c1cccc(C#N)c1O ZINC000866223729 1201470014 /nfs/dbraw/zinc/47/00/14/1201470014.db2.gz JTYKWIKUMCOFJY-CYBMUJFWSA-N 1 2 325.416 2.475 10 30 EEEELO C[C@H]([NH2+]C[C@@]1(N2CCOCC2)CCSC1)c1cccc(C#N)c1O ZINC000866242255 1201474806 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1205926333 /nfs/dbraw/zinc/92/63/33/1205926333.db2.gz CITBFVMMODDEEH-IBGZPJMESA-N 1 2 343.471 2.249 10 30 EEEELO CC[C@H]([NH2+]C[C@@H]1COC2(CCOCC2)O1)c1cccc(C#N)c1O ZINC000925975651 1206177174 /nfs/dbraw/zinc/17/71/74/1206177174.db2.gz JEMCFXVQLOYQRS-ZBFHGGJFSA-N 1 2 332.400 2.227 10 30 EEEELO CC1(c2nnc(-c3cccnc3)o2)C[NH+](Cc2cncc(C#N)c2)C1 ZINC000931087473 1206605761 /nfs/dbraw/zinc/60/57/61/1206605761.db2.gz YPBNZYQCIBSUPO-UHFFFAOYSA-N 1 2 332.367 2.172 10 30 EEEELO C#CC[N@@H+](Cc1coc(S(N)(=O)=O)c1)[C@@H]1CCCc2ccccc21 ZINC000933417043 1207768970 /nfs/dbraw/zinc/76/89/70/1207768970.db2.gz DZHPLNXLTKADSR-QGZVFWFLSA-N 1 2 344.436 2.440 10 30 EEEELO C#CC[N@H+](Cc1coc(S(N)(=O)=O)c1)[C@@H]1CCCc2ccccc21 ZINC000933417043 1207768972 /nfs/dbraw/zinc/76/89/72/1207768972.db2.gz DZHPLNXLTKADSR-QGZVFWFLSA-N 1 2 344.436 2.440 10 30 EEEELO C=CCCO[C@@H](C)C(=O)N[C@@H](C)C1C[NH+](Cc2nc(C)oc2C)C1 ZINC001276352233 1213890521 /nfs/dbraw/zinc/89/05/21/1213890521.db2.gz XIUXSYCWULJIGB-JSGCOSHPSA-N 1 2 335.448 2.209 10 30 EEEELO C=C[C@@H](CC)CC(=O)NC[C@H]1CCCCC[N@@H+]1Cc1cnn(C)n1 ZINC001276320685 1215702708 /nfs/dbraw/zinc/70/27/08/1215702708.db2.gz VFMIFDPLCVKDCD-DOTOQJQBSA-N 1 2 333.480 2.278 10 30 EEEELO C=C[C@@H](CC)CC(=O)NC[C@H]1CCCCC[N@H+]1Cc1cnn(C)n1 ZINC001276320685 1215702710 /nfs/dbraw/zinc/70/27/10/1215702710.db2.gz VFMIFDPLCVKDCD-DOTOQJQBSA-N 1 2 333.480 2.278 10 30 EEEELO C#CCCOc1ccc(C[N@H+]2CCC[C@]2(COC)C(=O)OC)cc1 ZINC000827488532 1248190804 /nfs/dbraw/zinc/19/08/04/1248190804.db2.gz IPZWREVCBUOQPX-IBGZPJMESA-N 1 2 331.412 2.243 10 30 EEEELO C#CCCOc1ccc(C[N@@H+]2CCC[C@]2(COC)C(=O)OC)cc1 ZINC000827488532 1248190807 /nfs/dbraw/zinc/19/08/07/1248190807.db2.gz IPZWREVCBUOQPX-IBGZPJMESA-N 1 2 331.412 2.243 10 30 EEEELO Cc1nnc([C@H](C)[N@@H+]2CCC[C@@H](CNC(=O)C#CC(C)(C)C)C2)[nH]1 ZINC001491104933 1258683285 /nfs/dbraw/zinc/68/32/85/1258683285.db2.gz NWMSJSTWGMHASE-ZFWWWQNUSA-N 1 2 331.464 2.052 10 30 EEEELO Cc1nnc([C@H](C)[N@H+]2CCC[C@@H](CNC(=O)C#CC(C)(C)C)C2)[nH]1 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2.463 10 30 EEEELO C=CCOCC[NH+]1CC(N(C)C(=O)[C@@H]2C[C@@]23CCc2ccccc23)C1 ZINC001277675298 1304156267 /nfs/dbraw/zinc/15/62/67/1304156267.db2.gz DCIWPKOPUWWJSS-PZJWPPBQSA-N 1 2 340.467 2.236 10 30 EEEELO C#CCN(C(=O)C1CC1)C1CC[NH+]([C@@H](C)c2nnc(CC)o2)CC1 ZINC001278107224 1305962439 /nfs/dbraw/zinc/96/24/39/1305962439.db2.gz HRARGKQUEXHPAT-ZDUSSCGKSA-N 1 2 330.432 2.029 10 30 EEEELO C#CCN(C(=O)[C@@H](C)C(C)C)C1CC[NH+](Cc2nccn2C)CC1 ZINC001278187918 1306221481 /nfs/dbraw/zinc/22/14/81/1306221481.db2.gz ASIXZJYWKONDGB-INIZCTEOSA-N 1 2 330.476 2.138 10 30 EEEELO C=CCCC(=O)N[C@]1(C)CC[N@H+](CC(=O)Nc2ccc(F)cc2)C1 ZINC001278368500 1309843160 /nfs/dbraw/zinc/84/31/60/1309843160.db2.gz BJQVDYWNKUFFBA-GOSISDBHSA-N 1 2 333.407 2.311 10 30 EEEELO C=CCCC(=O)N[C@]1(C)CC[N@@H+](CC(=O)Nc2ccc(F)cc2)C1 ZINC001278368500 1309843169 /nfs/dbraw/zinc/84/31/69/1309843169.db2.gz BJQVDYWNKUFFBA-GOSISDBHSA-N 1 2 333.407 2.311 10 30 EEEELO C=CCO[C@@H]1CCN(c2nnc(C[NH+]3CCCC3)n2CC2CC2)C1 ZINC001123426082 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NWFDGZSOGIONCJ-AWEZNQCLSA-N 1 2 339.505 2.305 10 30 EEEELO C=CC(C)(C)CC(=O)N(C)C[C@@H](O)C[N@@H+](C)Cc1ncc(C)s1 ZINC001278860055 1318369174 /nfs/dbraw/zinc/36/91/74/1318369174.db2.gz NWFDGZSOGIONCJ-AWEZNQCLSA-N 1 2 339.505 2.305 10 30 EEEELO C=C1CC(C)(C(=O)N2CC[C@H](N(C)C(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC001293700530 1328789428 /nfs/dbraw/zinc/78/94/28/1328789428.db2.gz BAQKOGATFVWZAN-HOTGVXAUSA-N 1 2 344.459 2.250 10 30 EEEELO C=C(C)C[C@H](C)C(=O)N1CC[C@@](C)(NC(=O)CCc2c[nH+]cn2C)C1 ZINC001299562747 1319477535 /nfs/dbraw/zinc/47/75/35/1319477535.db2.gz JBJZKUSCOXNPTP-HNAYVOBHSA-N 1 2 346.475 2.062 10 30 EEEELO C=C(C)C(C)(C)C(=O)NCCCN(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001294230188 1328937013 /nfs/dbraw/zinc/93/70/13/1328937013.db2.gz JOFGDKKFMFYFBN-OAHLLOKOSA-N 1 2 334.464 2.401 10 30 EEEELO C=CC(C)(C)CC(=O)N[C@H](C)[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001294366860 1328992218 /nfs/dbraw/zinc/99/22/18/1328992218.db2.gz GDXZHKDSUDDWEN-GDBMZVCRSA-N 1 2 346.475 2.440 10 30 EEEELO 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ZINC001264380665 1322683218 /nfs/dbraw/zinc/68/32/18/1322683218.db2.gz OKVHHCHGBBGFMX-INIZCTEOSA-N 1 2 335.492 2.134 10 30 EEEELO C=CCCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(N)=O)CC[C@@H]1c1ccccc1 ZINC001264592769 1322744342 /nfs/dbraw/zinc/74/43/42/1322744342.db2.gz RHFBIONOKCSMKL-CGTJXYLNSA-N 1 2 343.471 2.191 10 30 EEEELO C=CCCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(N)=O)CC[C@@H]1c1ccccc1 ZINC001264592769 1322744345 /nfs/dbraw/zinc/74/43/45/1322744345.db2.gz RHFBIONOKCSMKL-CGTJXYLNSA-N 1 2 343.471 2.191 10 30 EEEELO O=C(C#CC1CC1)N1CCC[C@@H]([N@H+](CC=C(Cl)Cl)CCO)C1 ZINC001264629921 1322755969 /nfs/dbraw/zinc/75/59/69/1322755969.db2.gz GUXCDKRAXAHILI-CQSZACIVSA-N 1 2 345.270 2.004 10 30 EEEELO O=C(C#CC1CC1)N1CCC[C@@H]([N@@H+](CC=C(Cl)Cl)CCO)C1 ZINC001264629921 1322755966 /nfs/dbraw/zinc/75/59/66/1322755966.db2.gz GUXCDKRAXAHILI-CQSZACIVSA-N 1 2 345.270 2.004 10 30 EEEELO C=C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccn(C)n2)[C@@H]1C)c1ccccc1 ZINC001264733922 1322794754 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332.448 2.295 10 30 EEEELO CCCCC[C@@H](C)NC(=O)C[N@@H+]1CCC[C@H](NC(=O)C#CC2CC2)C1 ZINC001266218435 1323787518 /nfs/dbraw/zinc/78/75/18/1323787518.db2.gz PPVIILHYCOLAAC-AEFFLSMTSA-N 1 2 347.503 2.065 10 30 EEEELO CCCCC[C@@H](C)NC(=O)C[N@H+]1CCC[C@H](NC(=O)C#CC2CC2)C1 ZINC001266218435 1323787522 /nfs/dbraw/zinc/78/75/22/1323787522.db2.gz PPVIILHYCOLAAC-AEFFLSMTSA-N 1 2 347.503 2.065 10 30 EEEELO C=CCCn1cc(C[NH2+]CC(=O)Nc2cccc3cccnc32)nn1 ZINC001207370440 1323949778 /nfs/dbraw/zinc/94/97/78/1323949778.db2.gz KYMUTBYZUCHQRA-UHFFFAOYSA-N 1 2 336.399 2.131 10 30 EEEELO C=CC(C)(C)CC(=O)N(C)C[C@@H]1CCCN1C(=O)CCn1cc[nH+]c1 ZINC001279856700 1324015733 /nfs/dbraw/zinc/01/57/33/1324015733.db2.gz IQGLSXSPMHQXQI-INIZCTEOSA-N 1 2 346.475 2.325 10 30 EEEELO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)Cc1ccc(Cl)s1 ZINC001280416960 1324211581 /nfs/dbraw/zinc/21/15/81/1324211581.db2.gz AQRFRFNYKYOZML-LBPRGKRZSA-N 1 2 328.865 2.337 10 30 EEEELO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)Cc1ccc(Cl)s1 ZINC001280416960 1324211588 /nfs/dbraw/zinc/21/15/88/1324211588.db2.gz AQRFRFNYKYOZML-LBPRGKRZSA-N 1 2 328.865 2.337 10 30 EEEELO C=CCCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc(C2CC2)cn1 ZINC001280422478 1324215769 /nfs/dbraw/zinc/21/57/69/1324215769.db2.gz ZARQLDWNHLYCNL-KRWDZBQOSA-N 1 2 329.444 2.356 10 30 EEEELO C=CCCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc(C2CC2)cn1 ZINC001280422478 1324215777 /nfs/dbraw/zinc/21/57/77/1324215777.db2.gz ZARQLDWNHLYCNL-KRWDZBQOSA-N 1 2 329.444 2.356 10 30 EEEELO CC1(C)C[N@H+](Cc2ccccc2C#N)C[C@@H]1NC(=O)CSCC#N ZINC001276555111 1324316281 /nfs/dbraw/zinc/31/62/81/1324316281.db2.gz LEKWBWMTQMULGC-INIZCTEOSA-N 1 2 342.468 2.142 10 30 EEEELO CC1(C)C[N@@H+](Cc2ccccc2C#N)C[C@@H]1NC(=O)CSCC#N ZINC001276555111 1324316286 /nfs/dbraw/zinc/31/62/86/1324316286.db2.gz LEKWBWMTQMULGC-INIZCTEOSA-N 1 2 342.468 2.142 10 30 EEEELO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)C3(CCCC)CC3)C2)CC1 ZINC001280692472 1324414964 /nfs/dbraw/zinc/41/49/64/1324414964.db2.gz OPDMQYXGKHYAGR-GOSISDBHSA-N 1 2 331.504 2.199 10 30 EEEELO C=C(C)CCC(=O)N[C@@H]1COC2(C[NH+](CCOCC3CCC3)C2)C1 ZINC001280944553 1324659820 /nfs/dbraw/zinc/65/98/20/1324659820.db2.gz MCOMKWMIDZPWCQ-KRWDZBQOSA-N 1 2 336.476 2.119 10 30 EEEELO C=CCCC(=O)NCc1ccc2c(c1)C[N@H+](CC(=O)N(C)C1CC1)C2 ZINC001281284800 1324933525 /nfs/dbraw/zinc/93/35/25/1324933525.db2.gz JWMJEZGMTBYZBB-UHFFFAOYSA-N 1 2 341.455 2.205 10 30 EEEELO C=CCCC(=O)NCc1ccc2c(c1)C[N@@H+](CC(=O)N(C)C1CC1)C2 ZINC001281284800 1324933529 /nfs/dbraw/zinc/93/35/29/1324933529.db2.gz JWMJEZGMTBYZBB-UHFFFAOYSA-N 1 2 341.455 2.205 10 30 EEEELO COCC#CC[N@@H+]1Cc2ccc(CNC(=O)CSC(C)C)cc2C1 ZINC001281284854 1324934264 /nfs/dbraw/zinc/93/42/64/1324934264.db2.gz LUBMWLFRHNALRL-UHFFFAOYSA-N 1 2 346.496 2.410 10 30 EEEELO COCC#CC[N@H+]1Cc2ccc(CNC(=O)CSC(C)C)cc2C1 ZINC001281284854 1324934268 /nfs/dbraw/zinc/93/42/68/1324934268.db2.gz LUBMWLFRHNALRL-UHFFFAOYSA-N 1 2 346.496 2.410 10 30 EEEELO C#CCCCCC(=O)N1C[C@H]([NH2+]Cc2nnc(C3CC3)o2)[C@@H](C)C1 ZINC001281390273 1325027913 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EEEELO C=C[C@@](C)(CC)C(=O)N[C@@H](C)C1C[NH+](CC(=O)NC2CCCCC2)C1 ZINC001282744525 1325778271 /nfs/dbraw/zinc/77/82/71/1325778271.db2.gz OWGPWDTZFSXREP-YWZLYKJASA-N 1 2 349.519 2.474 10 30 EEEELO C=CCC(C)(C)C(=O)N1CC2(C1)CCC[N@@H+](Cc1cn(CC)nn1)C2 ZINC001282973718 1325862421 /nfs/dbraw/zinc/86/24/21/1325862421.db2.gz VZOHYFZOBISXCA-UHFFFAOYSA-N 1 2 345.491 2.325 10 30 EEEELO C=CCC(C)(C)C(=O)N1CC2(C1)CCC[N@H+](Cc1cn(CC)nn1)C2 ZINC001282973718 1325862422 /nfs/dbraw/zinc/86/24/22/1325862422.db2.gz VZOHYFZOBISXCA-UHFFFAOYSA-N 1 2 345.491 2.325 10 30 EEEELO C=C(C)CCC(=O)N1C[C@]2(C)C[N@H+](Cc3nonc3C)C[C@]2(C)C1 ZINC001282985815 1325868142 /nfs/dbraw/zinc/86/81/42/1325868142.db2.gz RSWWIWGYZQBNLB-HDICACEKSA-N 1 2 332.448 2.405 10 30 EEEELO C=C(C)CCC(=O)N1C[C@]2(C)C[N@@H+](Cc3nonc3C)C[C@]2(C)C1 ZINC001282985815 1325868144 /nfs/dbraw/zinc/86/81/44/1325868144.db2.gz RSWWIWGYZQBNLB-HDICACEKSA-N 1 2 332.448 2.405 10 30 EEEELO C=CCC(C)(C)C(=O)NCCCN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001283544214 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C[C@@H]1C[N@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)Cc2c[nH]nc21 ZINC000931460971 1207386674 /nfs/dbraw/zinc/38/66/74/1207386674.db2.gz PFJCVHQJYFGKQM-DYVFJYSZSA-N 1 2 335.411 2.396 10 30 EEEELO C=C(Br)C[N@H+]1CC[C@H](C(=O)OC)C[C@H]1[C@@H]1CCCO1 ZINC000933177375 1207737555 /nfs/dbraw/zinc/73/75/55/1207737555.db2.gz BEZKNSLYFIWMBH-AVGNSLFASA-N 1 2 332.238 2.328 10 30 EEEELO C=C(Br)C[N@@H+]1CC[C@H](C(=O)OC)C[C@H]1[C@@H]1CCCO1 ZINC000933177375 1207737557 /nfs/dbraw/zinc/73/75/57/1207737557.db2.gz BEZKNSLYFIWMBH-AVGNSLFASA-N 1 2 332.238 2.328 10 30 EEEELO C#C[C@@H]1CCCC[N@H+]1CC(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000934509933 1207976004 /nfs/dbraw/zinc/97/60/04/1207976004.db2.gz FMLKLMFRVARNKG-MRXNPFEDSA-N 1 2 325.412 2.240 10 30 EEEELO C#C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000934509933 1207976007 /nfs/dbraw/zinc/97/60/07/1207976007.db2.gz FMLKLMFRVARNKG-MRXNPFEDSA-N 1 2 325.412 2.240 10 30 EEEELO CC#CCCCC(=O)NC[C@@H]1CCC[N@H+](Cc2nnc(C3CC3)o2)C1 ZINC001491116226 1258709820 /nfs/dbraw/zinc/70/98/20/1258709820.db2.gz JERFBGKVMMHHIR-HNNXBMFYSA-N 1 2 344.459 2.469 10 30 EEEELO CC#CCCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2nnc(C3CC3)o2)C1 ZINC001491116226 1258709825 /nfs/dbraw/zinc/70/98/25/1258709825.db2.gz JERFBGKVMMHHIR-HNNXBMFYSA-N 1 2 344.459 2.469 10 30 EEEELO C=C[C@@](C)(O)CC(=O)N(C)CCC[N@H+](C)Cc1csc(Cl)n1 ZINC001273507943 1278751296 /nfs/dbraw/zinc/75/12/96/1278751296.db2.gz PJWZFHNDAUZZCL-OAHLLOKOSA-N 1 2 345.896 2.404 10 30 EEEELO C=C[C@@](C)(O)CC(=O)N(C)CCC[N@@H+](C)Cc1csc(Cl)n1 ZINC001273507943 1278751302 /nfs/dbraw/zinc/75/13/02/1278751302.db2.gz PJWZFHNDAUZZCL-OAHLLOKOSA-N 1 2 345.896 2.404 10 30 EEEELO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)Cc1cccc(CC)c1)O2 ZINC001273663463 1282694693 /nfs/dbraw/zinc/69/46/93/1282694693.db2.gz YNRMVERCEGWLAC-SFHVURJKSA-N 1 2 328.456 2.327 10 30 EEEELO C=C1CCC(C(=O)N[C@@H]2COC3(C[NH+](CCOC(C)C)C3)C2)CC1 ZINC001273713613 1283914587 /nfs/dbraw/zinc/91/45/87/1283914587.db2.gz SXZYENOUMBCLPG-KRWDZBQOSA-N 1 2 336.476 2.117 10 30 EEEELO C=CC(C)(C)C(=O)N1CCC(N(C)C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001487567656 1286086726 /nfs/dbraw/zinc/08/67/26/1286086726.db2.gz WTHDRNAYBOJVJV-UHFFFAOYSA-N 1 2 332.448 2.004 10 30 EEEELO CC(C)c1noc([C@H](C)[N@H+](CCCNC(=O)[C@@H](C)C#N)C2CC2)n1 ZINC001490367029 1291247898 /nfs/dbraw/zinc/24/78/98/1291247898.db2.gz KRYABYUEONXPDM-STQMWFEESA-N 1 2 333.436 2.384 10 30 EEEELO CC(C)c1noc([C@H](C)[N@@H+](CCCNC(=O)[C@@H](C)C#N)C2CC2)n1 ZINC001490367029 1291247909 /nfs/dbraw/zinc/24/79/09/1291247909.db2.gz KRYABYUEONXPDM-STQMWFEESA-N 1 2 333.436 2.384 10 30 EEEELO C=C[C@](C)(CC)C(=O)N[C@H]1CC12CC[NH+](Cc1cnn(CC)n1)CC2 ZINC001490598634 1291502239 /nfs/dbraw/zinc/50/22/39/1291502239.db2.gz KXLPYPQYJBNMFQ-FUHWJXTLSA-N 1 2 345.491 2.371 10 30 EEEELO N#Cc1cc(Br)ccc1CC(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857977732 1293975605 /nfs/dbraw/zinc/97/56/05/1293975605.db2.gz YWVBWIOLGPNMCP-ZDUSSCGKSA-N 1 2 345.200 2.321 10 30 EEEELO C#CC[C@H](COC)NC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000859036984 1294299906 /nfs/dbraw/zinc/29/99/06/1294299906.db2.gz HDZSMRHKXRZARS-JKSUJKDBSA-N 1 2 344.459 2.147 10 30 EEEELO C=C[C@](C)(O)CC(=O)NC[C@@H]1CCC[N@@H+](C/C(Cl)=C/Cl)C1 ZINC001265582726 1323239255 /nfs/dbraw/zinc/23/92/55/1323239255.db2.gz VVZJVSQHFDHHJG-XFJUGBFOSA-N 1 2 335.275 2.461 10 30 EEEELO C#Cc1ccc(NC(=O)CC[NH2+]C2(C(=O)OC)CCCCC2)cc1 ZINC000929670543 1297106296 /nfs/dbraw/zinc/10/62/96/1297106296.db2.gz RNIPUYLYOUJJMM-UHFFFAOYSA-N 1 2 328.412 2.462 10 30 EEEELO C[C@H](c1cnccn1)[N@@H+]1CC[C@@H]1CNC(=O)CC#Cc1ccccc1 ZINC001276980213 1300644351 /nfs/dbraw/zinc/64/43/51/1300644351.db2.gz TTXLNOCBBTUSLK-SJLPKXTDSA-N 1 2 334.423 2.170 10 30 EEEELO C[C@H](c1cnccn1)[N@H+]1CC[C@@H]1CNC(=O)CC#Cc1ccccc1 ZINC001276980213 1300644357 /nfs/dbraw/zinc/64/43/57/1300644357.db2.gz TTXLNOCBBTUSLK-SJLPKXTDSA-N 1 2 334.423 2.170 10 30 EEEELO Cc1nc(C[NH2+]C2(CNC(=O)CC#Cc3ccccc3)CC2)c(C)o1 ZINC001277252880 1302009309 /nfs/dbraw/zinc/00/93/09/1302009309.db2.gz RJJKHAVNYSVQNZ-UHFFFAOYSA-N 1 2 337.423 2.472 10 30 EEEELO CC(C)c1nnc(C[NH+]2CCC(C)(NC(=O)C#CC3CC3)CC2)o1 ZINC001278051344 1305793566 /nfs/dbraw/zinc/79/35/66/1305793566.db2.gz IBGCNGQPZAZWJA-UHFFFAOYSA-N 1 2 330.432 2.077 10 30 EEEELO C=CCn1c(C[NH+]2CCC(CO)CC2)nnc1N1C[C@@H](C)CC[C@@H]1C ZINC001121635449 1310081127 /nfs/dbraw/zinc/08/11/27/1310081127.db2.gz ADDNPYMHAQSBIK-HOTGVXAUSA-N 1 2 347.507 2.293 10 30 EEEELO C=C(Br)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CC=CCC1 ZINC001278844635 1318302047 /nfs/dbraw/zinc/30/20/47/1318302047.db2.gz IVHASTLYTWPLIW-UONOGXRCSA-N 1 2 345.281 2.002 10 30 EEEELO C=C(Br)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CC=CCC1 ZINC001278844635 1318302052 /nfs/dbraw/zinc/30/20/52/1318302052.db2.gz IVHASTLYTWPLIW-UONOGXRCSA-N 1 2 345.281 2.002 10 30 EEEELO C=C(C)C[NH+]1CC(O)(CNC(=O)c2cc3cc(Cl)ccc3[nH]2)C1 ZINC001278895822 1318565840 /nfs/dbraw/zinc/56/58/40/1318565840.db2.gz FMXYISLQKGINJH-UHFFFAOYSA-N 1 2 333.819 2.174 10 30 EEEELO C=CC(C)(C)CC(=O)N1CC[C@H](N(C)C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001293665524 1328775463 /nfs/dbraw/zinc/77/54/63/1328775463.db2.gz FLJBIUYCTFKTSM-HOTGVXAUSA-N 1 2 346.475 2.496 10 30 EEEELO C=C[C@H](C)[C@H](C)C(=O)NC1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001293778957 1328809882 /nfs/dbraw/zinc/80/98/82/1328809882.db2.gz GCHZGURXPLHUNQ-HOTGVXAUSA-N 1 2 346.475 2.229 10 30 EEEELO C=CCC1(C(=O)N2CCC(NC(=O)CCc3c[nH]c[nH+]3)CC2)CCC1 ZINC001293801895 1328815681 /nfs/dbraw/zinc/81/56/81/1328815681.db2.gz RDWROYLHRNNWFF-UHFFFAOYSA-N 1 2 344.459 2.196 10 30 EEEELO C=CCC1(C(=O)N2CCC(NC(=O)CCc3c[nH+]c[nH]3)CC2)CCC1 ZINC001293801895 1328815698 /nfs/dbraw/zinc/81/56/98/1328815698.db2.gz RDWROYLHRNNWFF-UHFFFAOYSA-N 1 2 344.459 2.196 10 30 EEEELO C=C(C)C(C)(C)C(=O)N[C@@H](C)C1C[NH+](CC(=O)NC2CCCCC2)C1 ZINC001276413621 1321918396 /nfs/dbraw/zinc/91/83/96/1321918396.db2.gz GRTFUHCMAVWQJM-HNNXBMFYSA-N 1 2 349.519 2.474 10 30 EEEELO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCCc3ccccc31)CO2 ZINC001261816973 1322182326 /nfs/dbraw/zinc/18/23/26/1322182326.db2.gz ZBDDCBLQTGOZOS-IEBWSBKVSA-N 1 2 338.451 2.089 10 30 EEEELO CC#CCCCC(=O)N(C)C[C@@H]1CC[N@H+]1[C@H](C)C(=O)NC(C)(C)CC ZINC001263808092 1322520366 /nfs/dbraw/zinc/52/03/66/1322520366.db2.gz WIJKQUXHLBOAFG-SJORKVTESA-N 1 2 349.519 2.406 10 30 EEEELO CC#CCCCC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@H](C)C(=O)NC(C)(C)CC ZINC001263808092 1322520370 /nfs/dbraw/zinc/52/03/70/1322520370.db2.gz WIJKQUXHLBOAFG-SJORKVTESA-N 1 2 349.519 2.406 10 30 EEEELO C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@H](NC(=O)c2occc2C)C1 ZINC001265202991 1322981974 /nfs/dbraw/zinc/98/19/74/1322981974.db2.gz ABLAJTNKMFJRKG-INIZCTEOSA-N 1 2 347.459 2.207 10 30 EEEELO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@H](NC(=O)c2occc2C)C1 ZINC001265202991 1322981975 /nfs/dbraw/zinc/98/19/75/1322981975.db2.gz ABLAJTNKMFJRKG-INIZCTEOSA-N 1 2 347.459 2.207 10 30 EEEELO C=CCOCC(=O)N[C@H]1CCC[N@H+](Cc2nc3ccccc3o2)C1 ZINC001265207510 1322984257 /nfs/dbraw/zinc/98/42/57/1322984257.db2.gz IEYMWJSMTAIMBJ-AWEZNQCLSA-N 1 2 329.400 2.111 10 30 EEEELO C=CCOCC(=O)N[C@H]1CCC[N@@H+](Cc2nc3ccccc3o2)C1 ZINC001265207510 1322984259 /nfs/dbraw/zinc/98/42/59/1322984259.db2.gz IEYMWJSMTAIMBJ-AWEZNQCLSA-N 1 2 329.400 2.111 10 30 EEEELO CCC(CC)C(=O)NCC[NH+]1CCN(CC#Cc2ccccc2)CC1 ZINC001265255938 1323014894 /nfs/dbraw/zinc/01/48/94/1323014894.db2.gz HFNFYTGMELRTLC-UHFFFAOYSA-N 1 2 341.499 2.208 10 30 EEEELO C#CCCCC(=O)NCC[NH+]1CCN(Cc2cccc(F)c2F)CC1 ZINC001265258164 1323015945 /nfs/dbraw/zinc/01/59/45/1323015945.db2.gz AUEYVVOTMIVTFY-UHFFFAOYSA-N 1 2 349.425 2.002 10 30 EEEELO O=C(C#CC1CC1)N[C@H]1CC[N@H+](Cc2ncc(-c3ccccc3)o2)C1 ZINC001265283757 1323035222 /nfs/dbraw/zinc/03/52/22/1323035222.db2.gz IESRROJUHCSMKA-KRWDZBQOSA-N 1 2 335.407 2.446 10 30 EEEELO O=C(C#CC1CC1)N[C@H]1CC[N@@H+](Cc2ncc(-c3ccccc3)o2)C1 ZINC001265283757 1323035225 /nfs/dbraw/zinc/03/52/25/1323035225.db2.gz IESRROJUHCSMKA-KRWDZBQOSA-N 1 2 335.407 2.446 10 30 EEEELO C=C[C@](C)(CCOC)C(=O)N[C@H]1CC[N@H+](Cc2cncc(F)c2)C1 ZINC001265295367 1323046333 /nfs/dbraw/zinc/04/63/33/1323046333.db2.gz VMKITQQFWMIMNR-FUHWJXTLSA-N 1 2 335.423 2.140 10 30 EEEELO C=C[C@](C)(CCOC)C(=O)N[C@H]1CC[N@@H+](Cc2cncc(F)c2)C1 ZINC001265295367 1323046338 /nfs/dbraw/zinc/04/63/38/1323046338.db2.gz VMKITQQFWMIMNR-FUHWJXTLSA-N 1 2 335.423 2.140 10 30 EEEELO C=CCCC(=O)N[C@@H]1CC12CC[NH+](Cc1nc([C@@H](C)OC)no1)CC2 ZINC001265324422 1323073574 /nfs/dbraw/zinc/07/35/74/1323073574.db2.gz ZGZZUFHICVHOSC-ZIAGYGMSSA-N 1 2 348.447 2.214 10 30 EEEELO C=CCCC(=O)N1CCC[C@@H](C[N@@H+](C)Cc2ncnn2C(C)C)C1 ZINC001265387007 1323116083 /nfs/dbraw/zinc/11/60/83/1323116083.db2.gz PXLBGRUJIPMWIN-INIZCTEOSA-N 1 2 333.480 2.496 10 30 EEEELO C=CCCC(=O)N1CCC[C@@H](C[N@H+](C)Cc2ncnn2C(C)C)C1 ZINC001265387007 1323116090 /nfs/dbraw/zinc/11/60/90/1323116090.db2.gz PXLBGRUJIPMWIN-INIZCTEOSA-N 1 2 333.480 2.496 10 30 EEEELO COCC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc2cccnc21 ZINC001265408579 1323136599 /nfs/dbraw/zinc/13/65/99/1323136599.db2.gz NHQDWUZNGRLQGC-HDICACEKSA-N 1 2 349.434 2.173 10 30 EEEELO COCC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc2cccnc21 ZINC001265408579 1323136602 /nfs/dbraw/zinc/13/66/02/1323136602.db2.gz NHQDWUZNGRLQGC-HDICACEKSA-N 1 2 349.434 2.173 10 30 EEEELO C=C[C@](C)(O)CC(=O)NC[C@@H]1CCC[N@H+](C/C(Cl)=C/Cl)C1 ZINC001265582726 1323239246 /nfs/dbraw/zinc/23/92/46/1323239246.db2.gz VVZJVSQHFDHHJG-XFJUGBFOSA-N 1 2 335.275 2.461 10 30 EEEELO C=CC(C)(C)C(=O)N[C@H]1CCC[N@@H+]([C@@H](C)C(=O)NCc2ccco2)C1 ZINC001266233764 1323814152 /nfs/dbraw/zinc/81/41/52/1323814152.db2.gz QPBIPXULPHPNEC-GJZGRUSLSA-N 1 2 347.459 2.077 10 30 EEEELO C=CC(C)(C)C(=O)N[C@H]1CCC[N@H+]([C@@H](C)C(=O)NCc2ccco2)C1 ZINC001266233764 1323814158 /nfs/dbraw/zinc/81/41/58/1323814158.db2.gz QPBIPXULPHPNEC-GJZGRUSLSA-N 1 2 347.459 2.077 10 30 EEEELO C=CCC(C)(C)C(=O)N[C@@H]1CCC[N@@H+](CC(=O)N2CCC[C@H](C)C2)C1 ZINC001266239882 1323826623 /nfs/dbraw/zinc/82/66/23/1323826623.db2.gz KQWYTTHFQOEIPR-DLBZAZTESA-N 1 2 349.519 2.428 10 30 EEEELO C=CCC(C)(C)C(=O)N[C@@H]1CCC[N@H+](CC(=O)N2CCC[C@H](C)C2)C1 ZINC001266239882 1323826627 /nfs/dbraw/zinc/82/66/27/1323826627.db2.gz KQWYTTHFQOEIPR-DLBZAZTESA-N 1 2 349.519 2.428 10 30 EEEELO C=CCCC(=O)N[C@@H](C)[C@H](C)NC(=O)C[N@@H+]1CCc2sccc2C1 ZINC001280212761 1324116542 /nfs/dbraw/zinc/11/65/42/1324116542.db2.gz FOUXIGYGMYSTIX-KBPBESRZSA-N 1 2 349.500 2.082 10 30 EEEELO C=CCCC(=O)N[C@@H](C)[C@H](C)NC(=O)C[N@H+]1CCc2sccc2C1 ZINC001280212761 1324116549 /nfs/dbraw/zinc/11/65/49/1324116549.db2.gz FOUXIGYGMYSTIX-KBPBESRZSA-N 1 2 349.500 2.082 10 30 EEEELO C=CC1(CC(=O)N[C@@H](C)[C@H](C)NC(=O)Cn2cc[nH+]c2)CCCCC1 ZINC001280331625 1324159161 /nfs/dbraw/zinc/15/91/61/1324159161.db2.gz MBFKVPVWJMIMLV-HOTGVXAUSA-N 1 2 346.475 2.419 10 30 EEEELO CC(C)C#CC(=O)N1CC[C@@H]([NH+]2CCN(Cc3ccsc3)CC2)C1 ZINC001280678654 1324401909 /nfs/dbraw/zinc/40/19/09/1324401909.db2.gz PFDIEYCLWOFPOL-GOSISDBHSA-N 1 2 345.512 2.126 10 30 EEEELO C=C(C)C[C@H](C)C(=O)NC[C@H]1C[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001280760726 1324488125 /nfs/dbraw/zinc/48/81/25/1324488125.db2.gz ORZQMJZQPLGFBB-QAETUUGQSA-N 1 2 346.475 2.448 10 30 EEEELO C=C(C)C(C)(C)C(=O)NCCC[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001280851716 1324573785 /nfs/dbraw/zinc/57/37/85/1324573785.db2.gz XPTTZPDFVBUOEH-CYBMUJFWSA-N 1 2 334.464 2.264 10 30 EEEELO CCC(C)(C)NC(=O)C[N@@H+]1C[C@H](NC(=O)C#CC(C)(C)C)C(C)(C)C1 ZINC001276581197 1324612740 /nfs/dbraw/zinc/61/27/40/1324612740.db2.gz XTVLKPJFIGGAGL-HNNXBMFYSA-N 1 2 349.519 2.167 10 30 EEEELO CCC(C)(C)NC(=O)C[N@H+]1C[C@H](NC(=O)C#CC(C)(C)C)C(C)(C)C1 ZINC001276581197 1324612745 /nfs/dbraw/zinc/61/27/45/1324612745.db2.gz XTVLKPJFIGGAGL-HNNXBMFYSA-N 1 2 349.519 2.167 10 30 EEEELO C=CCOCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)C1(C)CCCC1)O2 ZINC001280930438 1324647944 /nfs/dbraw/zinc/64/79/44/1324647944.db2.gz WMTFWYURBXBQGK-INIZCTEOSA-N 1 2 336.476 2.119 10 30 EEEELO C=CCOCC[NH+]1CC2(C1)CC[C@H](CNC(=O)C[C@H]1C=CCCC1)O2 ZINC001280930467 1324648133 /nfs/dbraw/zinc/64/81/33/1324648133.db2.gz XAVSKJJQPRDFBK-ZWKOTPCHSA-N 1 2 348.487 2.285 10 30 EEEELO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)Cc1ccc3c(c1)CCC3)O2 ZINC001280932607 1324650305 /nfs/dbraw/zinc/65/03/05/1324650305.db2.gz ZKLPVEPLDBBQJW-LJQANCHMSA-N 1 2 340.467 2.253 10 30 EEEELO C#CCCCCC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2nc(C3CC3)no2)C1 ZINC001281392346 1325030857 /nfs/dbraw/zinc/03/08/57/1325030857.db2.gz YHMIHEMGSXDAGM-DZGCQCFKSA-N 1 2 330.432 2.077 10 30 EEEELO C=CCOCCCC(=O)N[C@@H]1CC[N@H+](Cc2ncc(C)cn2)[C@H](C)C1 ZINC001281659210 1325376839 /nfs/dbraw/zinc/37/68/39/1325376839.db2.gz OCCWSYHGUOPHMF-IAGOWNOFSA-N 1 2 346.475 2.237 10 30 EEEELO C=CCOCCCC(=O)N[C@@H]1CC[N@@H+](Cc2ncc(C)cn2)[C@H](C)C1 ZINC001281659210 1325376851 /nfs/dbraw/zinc/37/68/51/1325376851.db2.gz OCCWSYHGUOPHMF-IAGOWNOFSA-N 1 2 346.475 2.237 10 30 EEEELO C=CCC(C)(C)C(=O)N[C@@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C12CCC2 ZINC001281728898 1325423859 /nfs/dbraw/zinc/42/38/59/1325423859.db2.gz RYMJEOZVOOCEFS-LSDHHAIUSA-N 1 2 344.459 2.029 10 30 EEEELO C=CC(C)(C)CC(=O)NC[C@H]1c2ccccc2CC[N@H+]1[C@@H](C)C(N)=O ZINC001281775624 1325447373 /nfs/dbraw/zinc/44/73/73/1325447373.db2.gz CKCGCXRERIMZOS-YOEHRIQHSA-N 1 2 343.471 2.178 10 30 EEEELO C=CC(C)(C)CC(=O)NC[C@H]1c2ccccc2CC[N@@H+]1[C@@H](C)C(N)=O ZINC001281775624 1325447379 /nfs/dbraw/zinc/44/73/79/1325447379.db2.gz CKCGCXRERIMZOS-YOEHRIQHSA-N 1 2 343.471 2.178 10 30 EEEELO C=CC(C)(C)CC(=O)N1CC[C@H]1CN(C)C(=O)CCc1[nH+]ccn1C ZINC001282047214 1325597692 /nfs/dbraw/zinc/59/76/92/1325597692.db2.gz MMSJLKYNYCLBTF-HNNXBMFYSA-N 1 2 346.475 2.014 10 30 EEEELO C=CCC(C)(C)C(=O)N[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)[C@@H]1CC ZINC001282257147 1325670824 /nfs/dbraw/zinc/67/08/24/1325670824.db2.gz PHZCIGZSHIYJRQ-JKSUJKDBSA-N 1 2 346.475 2.061 10 30 EEEELO C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccncc2Cl)CC1(C)C ZINC001282799532 1325790091 /nfs/dbraw/zinc/79/00/91/1325790091.db2.gz ATVHLUVIQQPYLO-XJKSGUPXSA-N 1 2 349.862 2.100 10 30 EEEELO C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ccncc2Cl)CC1(C)C ZINC001282799532 1325790094 /nfs/dbraw/zinc/79/00/94/1325790094.db2.gz ATVHLUVIQQPYLO-XJKSGUPXSA-N 1 2 349.862 2.100 10 30 EEEELO C=CCCO[C@@H](C)C(=O)N1CC2(C1)CCC[N@H+](Cc1ccon1)C2 ZINC001282952700 1325850512 /nfs/dbraw/zinc/85/05/12/1325850512.db2.gz BROWOIIFEAJYCM-HNNXBMFYSA-N 1 2 333.432 2.080 10 30 EEEELO C=CCCO[C@@H](C)C(=O)N1CC2(C1)CCC[N@@H+](Cc1ccon1)C2 ZINC001282952700 1325850514 /nfs/dbraw/zinc/85/05/14/1325850514.db2.gz BROWOIIFEAJYCM-HNNXBMFYSA-N 1 2 333.432 2.080 10 30 EEEELO C=CC1(CC(=O)NCCNC(=O)CCn2cc[nH+]c2)CCCCC1 ZINC001283109040 1325921666 /nfs/dbraw/zinc/92/16/66/1325921666.db2.gz WQIISKCCEAKKJL-UHFFFAOYSA-N 1 2 332.448 2.032 10 30 EEEELO C=C(C)C(C)(C)C(=O)N1CC[C@@H](N(C)C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001283391697 1326045547 /nfs/dbraw/zinc/04/55/47/1326045547.db2.gz NHZYJAVVFNLYMS-JKSUJKDBSA-N 1 2 346.475 2.496 10 30 EEEELO C=CCC1(C(=O)N2CCC[C@H](NC(=O)Cc3[nH]cc[nH+]3)C2)CCCC1 ZINC001283466336 1326084038 /nfs/dbraw/zinc/08/40/38/1326084038.db2.gz ABIKEWFDFFLWCX-HNNXBMFYSA-N 1 2 344.459 2.196 10 30 EEEELO C=C(C)C(C)(C)C(=O)N[C@H]1CC12CCN(C(=O)Cc1[nH]cc[nH+]1)CC2 ZINC001283911287 1326316775 /nfs/dbraw/zinc/31/67/75/1326316775.db2.gz KZWCNGAZRJKGHA-AWEZNQCLSA-N 1 2 344.459 2.052 10 30 EEEELO C=C[C@H](CC)CC(=O)N1CCC[C@@H](CN(C)C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001283973984 1326345643 /nfs/dbraw/zinc/34/56/43/1326345643.db2.gz IPOLZVIHSCEGGS-CVEARBPZSA-N 1 2 346.475 2.252 10 30 EEEELO CC#CCCCC(=O)N1C[C@@H]([NH2+]Cc2nc(CC3CC3)no2)C[C@@H]1C ZINC001284001946 1326357861 /nfs/dbraw/zinc/35/78/61/1326357861.db2.gz DCOUROOTXFKBQQ-HOCLYGCPSA-N 1 2 344.459 2.295 10 30 EEEELO C=CCCC(=O)N[C@]12CCC[C@@H]1[N@H+](Cc1nn(CC)nc1C)CC2 ZINC001284047944 1326379456 /nfs/dbraw/zinc/37/94/56/1326379456.db2.gz ZHIXFQQRTAMOQO-WMZOPIPTSA-N 1 2 331.464 2.186 10 30 EEEELO C=CCCC(=O)N[C@]12CCC[C@@H]1[N@@H+](Cc1nn(CC)nc1C)CC2 ZINC001284047944 1326379459 /nfs/dbraw/zinc/37/94/59/1326379459.db2.gz ZHIXFQQRTAMOQO-WMZOPIPTSA-N 1 2 331.464 2.186 10 30 EEEELO C=C(C)CCC(=O)N1CCC[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC[C@@H]21 ZINC001284075179 1326395345 /nfs/dbraw/zinc/39/53/45/1326395345.db2.gz ROSAFQMQQJLGCG-RDJZCZTQSA-N 1 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ZINC001284509789 1326592097 /nfs/dbraw/zinc/59/20/97/1326592097.db2.gz QGRAAFBQWDKQDC-YOEHRIQHSA-N 1 2 339.505 2.305 10 30 EEEELO C=C[C@@](C)(CC)C(=O)N(C)C[C@@H](O)C[N@@H+](C)Cc1ncc(C)s1 ZINC001284509789 1326592101 /nfs/dbraw/zinc/59/21/01/1326592101.db2.gz QGRAAFBQWDKQDC-YOEHRIQHSA-N 1 2 339.505 2.305 10 30 EEEELO C=C[C@H](CC)CC(=O)N[C@@H](C)C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001284765008 1326702385 /nfs/dbraw/zinc/70/23/85/1326702385.db2.gz QIZDYHDKLPVISR-JKSUJKDBSA-N 1 2 346.475 2.229 10 30 EEEELO C=C(C)CCC(=O)N(CCC)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001284814938 1326726718 /nfs/dbraw/zinc/72/67/18/1326726718.db2.gz IUNPMBCRFIATHU-MRXNPFEDSA-N 1 2 332.448 2.148 10 30 EEEELO C=C(C)C(C)(C)C(=O)N1CCC(CN(C)C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001284853639 1326745302 /nfs/dbraw/zinc/74/53/02/1326745302.db2.gz WGGWIZLTZSGLFB-UHFFFAOYSA-N 1 2 346.475 2.252 10 30 EEEELO C=CCCO[C@H](C)C(=O)NCC1=CC[N@@H+]([C@@H](C)c2nnc(C)o2)CC1 ZINC001284889369 1326761777 /nfs/dbraw/zinc/76/17/77/1326761777.db2.gz MFQAWZBCPSSWBE-UONOGXRCSA-N 1 2 348.447 2.169 10 30 EEEELO C=CCCO[C@H](C)C(=O)NCC1=CC[N@H+]([C@@H](C)c2nnc(C)o2)CC1 ZINC001284889369 1326761780 /nfs/dbraw/zinc/76/17/80/1326761780.db2.gz MFQAWZBCPSSWBE-UONOGXRCSA-N 1 2 348.447 2.169 10 30 EEEELO Cc1cc(C[N@H+]2CC=C(CNC(=O)C#CC(C)(C)C)CC2)nn1C ZINC001284911422 1326772642 /nfs/dbraw/zinc/77/26/42/1326772642.db2.gz ZMWYYGVBCDVKIP-UHFFFAOYSA-N 1 2 328.460 2.026 10 30 EEEELO Cc1cc(C[N@@H+]2CC=C(CNC(=O)C#CC(C)(C)C)CC2)nn1C ZINC001284911422 1326772643 /nfs/dbraw/zinc/77/26/43/1326772643.db2.gz ZMWYYGVBCDVKIP-UHFFFAOYSA-N 1 2 328.460 2.026 10 30 EEEELO C=CCC(C)(C)C(=O)N[C@H](CC)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001285068052 1326852777 /nfs/dbraw/zinc/85/27/77/1326852777.db2.gz OOCVNMRZAUNSBI-LSDHHAIUSA-N 1 2 346.475 2.059 10 30 EEEELO C=CCCCC(=O)N(C)CCC1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001285300283 1326947333 /nfs/dbraw/zinc/94/73/33/1326947333.db2.gz XDFDXAMDKZFLPH-UHFFFAOYSA-N 1 2 346.475 2.327 10 30 EEEELO C=CCCC(=O)N1CC[C@@](C)(CNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001286113909 1327296041 /nfs/dbraw/zinc/29/60/41/1327296041.db2.gz GFLIWIDHOHKRIF-IBGZPJMESA-N 1 2 346.475 2.248 10 30 EEEELO C=CCCC(=O)NC[C@]1(C)CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001286154123 1327315829 /nfs/dbraw/zinc/31/58/29/1327315829.db2.gz ADISSPQVGOTQLW-IBGZPJMESA-N 1 2 346.475 2.398 10 30 EEEELO C=CC(C)(C)C(=O)N[C@@H](C)CN(C)C(=O)c1cccc2[nH+]ccn21 ZINC001287663637 1327533829 /nfs/dbraw/zinc/53/38/29/1327533829.db2.gz UVFFVQOGMXFSCT-ZDUSSCGKSA-N 1 2 328.416 2.123 10 30 EEEELO C=CCCC(=O)N[C@@]12CCC[C@H]1N(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)CC2 ZINC001287965859 1327578113 /nfs/dbraw/zinc/57/81/13/1327578113.db2.gz MQFLMTUKBIDNQT-NPNMTCQASA-N 1 2 342.443 2.119 10 30 EEEELO C=CCCC(=O)N[C@@]12CCC[C@H]1N(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)CC2 ZINC001287965859 1327578116 /nfs/dbraw/zinc/57/81/16/1327578116.db2.gz MQFLMTUKBIDNQT-NPNMTCQASA-N 1 2 342.443 2.119 10 30 EEEELO C=CCC(C)(C)C(=O)N1CC[C@H]1CN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001289967808 1328084043 /nfs/dbraw/zinc/08/40/43/1328084043.db2.gz DRHCCTZKILKSDL-HOTGVXAUSA-N 1 2 346.475 2.496 10 30 EEEELO C=C(C)CCC(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001294980081 1329770956 /nfs/dbraw/zinc/77/09/56/1329770956.db2.gz WLYNHQPKGJROLN-YESZJQIVSA-N 1 2 344.459 2.392 10 30 EEEELO C=C[C@@H](CC)CC(=O)N(C)CCNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001296082208 1329868723 /nfs/dbraw/zinc/86/87/23/1329868723.db2.gz PUIUQCFPSMSIFX-HNNXBMFYSA-N 1 2 342.443 2.433 10 30 EEEELO C=C[C@@](C)(CC)C(=O)N1CCC[C@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001296442170 1329892256 /nfs/dbraw/zinc/89/22/56/1329892256.db2.gz YVLGHPUJBQHUCC-YJBOKZPZSA-N 1 2 332.448 2.052 10 30 EEEELO C=C[C@@](C)(CC)C(=O)N1CCC[C@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001296442170 1329892257 /nfs/dbraw/zinc/89/22/57/1329892257.db2.gz YVLGHPUJBQHUCC-YJBOKZPZSA-N 1 2 332.448 2.052 10 30 EEEELO C=C1CCC(C(=O)NCCN(CCC)C(=O)CCn2cc[nH+]c2)CC1 ZINC001296538973 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330.428 2.020 10 30 EEEELO C=C[C@@](C)(O)CC(=O)NC1(C)CC[NH+](Cc2coc(C3CC3)n2)CC1 ZINC001569571158 1342898611 /nfs/dbraw/zinc/89/86/11/1342898611.db2.gz PGEIMNURCIPGGP-LJQANCHMSA-N 1 2 347.459 2.350 10 30 EEEELO Cc1cnc(C[N@H+](C)CCOCCNC(=O)C#CC(C)(C)C)s1 ZINC001676109997 1357107654 /nfs/dbraw/zinc/10/76/54/1357107654.db2.gz UHHXRTGIZWFJTC-UHFFFAOYSA-N 1 2 337.489 2.066 10 30 EEEELO Cc1cnc(C[N@@H+](C)CCOCCNC(=O)C#CC(C)(C)C)s1 ZINC001676109997 1357107657 /nfs/dbraw/zinc/10/76/57/1357107657.db2.gz UHHXRTGIZWFJTC-UHFFFAOYSA-N 1 2 337.489 2.066 10 30 EEEELO C=C(C)C[NH+]1CC(CCO)(NC(=O)[C@@H](CCC)c2ccccn2)C1 ZINC001570763971 1343112873 /nfs/dbraw/zinc/11/28/73/1343112873.db2.gz WOHBJZOWDSPGBO-INIZCTEOSA-N 1 2 331.460 2.094 10 30 EEEELO C=C[C@H](CC)CC(=O)N[C@H]1C[N@H+](Cc2cncc(OC)n2)CC1(C)C ZINC001570902340 1343136958 /nfs/dbraw/zinc/13/69/58/1343136958.db2.gz QJJIWFLQGQZYEL-ZBFHGGJFSA-N 1 2 346.475 2.414 10 30 EEEELO C=C[C@H](CC)CC(=O)N[C@H]1C[N@@H+](Cc2cncc(OC)n2)CC1(C)C ZINC001570902340 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FPEVOWVCHROPLU-OLZOCXBDSA-N 1 2 338.477 2.372 10 30 EEEELO C=CC(C)(C)C(=O)NCC[C@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001582878940 1344817055 /nfs/dbraw/zinc/81/70/55/1344817055.db2.gz BWAZZOPOFSKGNR-MRXNPFEDSA-N 1 2 346.475 2.442 10 30 EEEELO C=CC(C)(C)C(=O)NCC[C@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001582878940 1344817059 /nfs/dbraw/zinc/81/70/59/1344817059.db2.gz BWAZZOPOFSKGNR-MRXNPFEDSA-N 1 2 346.475 2.442 10 30 EEEELO C=CC(C)(C)C(=O)NC[C@@H]1CCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001584759235 1348761476 /nfs/dbraw/zinc/76/14/76/1348761476.db2.gz NODTUAXRMXAKPV-ZDUSSCGKSA-N 1 2 326.400 2.106 10 30 EEEELO C=CCC(C)(C)C(=O)N(C)CC(C)(C)CNC(=O)Cc1c[nH+]cn1C ZINC001678016691 1357456427 /nfs/dbraw/zinc/45/64/27/1357456427.db2.gz XERLOMWAPPOAPD-UHFFFAOYSA-N 1 2 348.491 2.166 10 30 EEEELO C=CC(C)(C)CC(=O)N1CC([C@H](C)NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001678658066 1357543773 /nfs/dbraw/zinc/54/37/73/1357543773.db2.gz TVGKTJOSDFDIHG-GJZGRUSLSA-N 1 2 346.475 2.400 10 30 EEEELO C=CCOCC[NH+]1CC(N(C)C(=O)C2(C(F)(F)F)CCCC2)C1 ZINC001671205918 1352739106 /nfs/dbraw/zinc/73/91/06/1352739106.db2.gz AZCAIBRONKTINZ-UHFFFAOYSA-N 1 2 334.382 2.454 10 30 EEEELO C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H](CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001649480199 1353529163 /nfs/dbraw/zinc/52/91/63/1353529163.db2.gz UKBQPNDMXKFZMK-WKILWMFISA-N 1 2 346.475 2.277 10 30 EEEELO C=CCC(CC=C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001655862434 1354187438 /nfs/dbraw/zinc/18/74/38/1354187438.db2.gz ZKWXLXWILFFKKO-SJORKVTESA-N 1 2 345.468 2.049 10 30 EEEELO C=CCC(CC=C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001655862434 1354187440 /nfs/dbraw/zinc/18/74/40/1354187440.db2.gz ZKWXLXWILFFKKO-SJORKVTESA-N 1 2 345.468 2.049 10 30 EEEELO CC(C)C#CC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2noc(C(C)(C)C)n2)C1 ZINC001656288909 1354221497 /nfs/dbraw/zinc/22/14/97/1354221497.db2.gz WEHOLZFVJAQHKV-LSDHHAIUSA-N 1 2 346.475 2.401 10 30 EEEELO Cc1nc([C@H](C)[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)C#CC(C)C)no1 ZINC001656538768 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C=CCC1(C(=O)N[C@@H](C)[C@H]2CCC[N@H+](Cc3ncnn3C)C2)CCC1 ZINC001662010349 1354741555 /nfs/dbraw/zinc/74/15/55/1354741555.db2.gz LHSUOPIONVVHLQ-HOTGVXAUSA-N 1 2 345.491 2.278 10 30 EEEELO C=CCC1(C(=O)N[C@@H](C)[C@H]2CCC[N@@H+](Cc3ncnn3C)C2)CCC1 ZINC001662010349 1354741561 /nfs/dbraw/zinc/74/15/61/1354741561.db2.gz LHSUOPIONVVHLQ-HOTGVXAUSA-N 1 2 345.491 2.278 10 30 EEEELO C=C[C@H](CC(=O)NC[C@@H](C)[NH2+]Cc1nnc(C)o1)c1ccccc1 ZINC001662423405 1354795237 /nfs/dbraw/zinc/79/52/37/1354795237.db2.gz CLCLDLFJBAUENS-UKRRQHHQSA-N 1 2 328.416 2.332 10 30 EEEELO C=CCC(C)(C)C(=O)NCC[N@@H+](C)CC(=O)NC1CCC(C)CC1 ZINC001663284116 1354944007 /nfs/dbraw/zinc/94/40/07/1354944007.db2.gz JELNGARKGPCBEX-UHFFFAOYSA-N 1 2 337.508 2.332 10 30 EEEELO C=CCC(C)(C)C(=O)NCC[N@H+](C)CC(=O)NC1CCC(C)CC1 ZINC001663284116 1354944009 /nfs/dbraw/zinc/94/40/09/1354944009.db2.gz JELNGARKGPCBEX-UHFFFAOYSA-N 1 2 337.508 2.332 10 30 EEEELO C=CCCC(=O)NC[C@@H]1C[N@H+](Cc2ccc(OC)c(C)c2)CCO1 ZINC001666692152 1355567750 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QZBMLOCKMNMMGZ-CYBMUJFWSA-N 1 2 328.416 2.401 10 30 EEEELO C=C(C)C(C)(C)C(=O)N[C@@H](C)[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001688088150 1358776345 /nfs/dbraw/zinc/77/63/45/1358776345.db2.gz VJWJXIDGVDEZBY-LSDHHAIUSA-N 1 2 346.475 2.298 10 30 EEEELO C=C[C@@H](CC)CC(=O)N(C)[C@@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001688241707 1358867383 /nfs/dbraw/zinc/86/73/83/1358867383.db2.gz SOJSBKXYWZEGMX-JKSUJKDBSA-N 1 2 346.475 2.312 10 30 EEEELO C=CCCCC(=O)NC[C@H]1CCCN1C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001688452299 1358969394 /nfs/dbraw/zinc/96/93/94/1358969394.db2.gz ZNPDFYSIKRUILL-CABCVRRESA-N 1 2 344.459 2.293 10 30 EEEELO Cc1cc(NC(=O)Cc2ccc(-n3cc[nH+]c3)cc2)nn1CCC#N ZINC001152988527 1368924138 /nfs/dbraw/zinc/92/41/38/1368924138.db2.gz LCZPUCNAZMMESB-UHFFFAOYSA-N 1 2 334.383 2.472 10 30 EEEELO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@@H]1CNC(=O)C1(C)CC(=C)C1 ZINC001699635346 1405426558 /nfs/dbraw/zinc/42/65/58/1405426558.db2.gz VNYYXIQCYJLCST-DLBZAZTESA-N 1 2 347.503 2.346 10 30 EEEELO 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