smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCc1ccc(C[NH+]2CCN(S(=O)(=O)c3cccc(C#N)c3)CC2)s1 ZINC000159583344 551567451 /nfs/dbraw/zinc/56/74/51/551567451.db2.gz ZUVNJWIDRSRLRU-UHFFFAOYSA-N 1 2 375.519 2.689 20 30 GFEDLO CCC[N@H+](CC#Cc1ccc(OC(F)(F)F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000178913493 552179281 /nfs/dbraw/zinc/17/92/81/552179281.db2.gz VVAKPJXCEBMRNT-HNNXBMFYSA-N 1 2 375.412 2.836 20 30 GFEDLO CCC[N@@H+](CC#Cc1ccc(OC(F)(F)F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000178913493 552179284 /nfs/dbraw/zinc/17/92/84/552179284.db2.gz VVAKPJXCEBMRNT-HNNXBMFYSA-N 1 2 375.412 2.836 20 30 GFEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCc2sc(-c3csc(C)n3)cc2C1 ZINC000180883959 552239182 /nfs/dbraw/zinc/23/91/82/552239182.db2.gz LGXSQHHSNIRIEG-UHFFFAOYSA-N 1 2 376.507 2.550 20 30 GFEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCc2sc(-c3csc(C)n3)cc2C1 ZINC000180883959 552239183 /nfs/dbraw/zinc/23/91/83/552239183.db2.gz LGXSQHHSNIRIEG-UHFFFAOYSA-N 1 2 376.507 2.550 20 30 GFEDLO N#C[C@@H]1CC[C@H]([NH+]2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)C1 ZINC000278564333 563261958 /nfs/dbraw/zinc/26/19/58/563261958.db2.gz IREJUGHTOCACNY-OLZOCXBDSA-N 1 2 388.320 2.992 20 30 GFEDLO N#C[C@@H]1CC[C@H]([NH+]2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)C1 ZINC000278646700 563264861 /nfs/dbraw/zinc/26/48/61/563264861.db2.gz PLHMGOYUJNDSTM-OCCSQVGLSA-N 1 2 388.320 2.992 20 30 GFEDLO N#C[C@H](c1ccc(Br)cc1)N1CC[NH+](Cc2cccnc2N)CC1 ZINC000296243021 563280436 /nfs/dbraw/zinc/28/04/36/563280436.db2.gz IFBZKKYLNKSUOJ-QGZVFWFLSA-N 1 2 386.297 2.809 20 30 GFEDLO C[C@H]1CC[S@@](=O)CC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000375933154 563424117 /nfs/dbraw/zinc/42/41/17/563424117.db2.gz NYYOWHMBLUAARM-ZJWNCGCPSA-N 1 2 379.551 2.670 20 30 GFEDLO C[C@H]1CC[S@@](=O)CC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000375933154 563424118 /nfs/dbraw/zinc/42/41/18/563424118.db2.gz NYYOWHMBLUAARM-ZJWNCGCPSA-N 1 2 379.551 2.670 20 30 GFEDLO C[C@H](NC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)c1nc(C(F)(F)F)cs1 ZINC000330238109 563499038 /nfs/dbraw/zinc/49/90/38/563499038.db2.gz VABLWZOGKCCTLE-QWRGUYRKSA-N 1 2 378.420 2.543 20 30 GFEDLO C[C@H](CNS(=O)(=O)CC1(C#N)CCCCC1)[N@@H+]1CCc2sccc2C1 ZINC000331547959 563552978 /nfs/dbraw/zinc/55/29/78/563552978.db2.gz HVSULOBNDYRHBW-OAHLLOKOSA-N 1 2 381.567 2.888 20 30 GFEDLO C[C@H](CNS(=O)(=O)CC1(C#N)CCCCC1)[N@H+]1CCc2sccc2C1 ZINC000331547959 563552979 /nfs/dbraw/zinc/55/29/79/563552979.db2.gz HVSULOBNDYRHBW-OAHLLOKOSA-N 1 2 381.567 2.888 20 30 GFEDLO CS(=O)(=O)CC1CC[NH+](CC#Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000292099345 563773884 /nfs/dbraw/zinc/77/38/84/563773884.db2.gz HQODOEKOXHCFSG-UHFFFAOYSA-N 1 2 375.412 2.693 20 30 GFEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000444727931 563835706 /nfs/dbraw/zinc/83/57/06/563835706.db2.gz FGFDYXCSGSPOFR-IAQYHMDHSA-N 1 2 375.778 2.785 20 30 GFEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000444727931 563835709 /nfs/dbraw/zinc/83/57/09/563835709.db2.gz FGFDYXCSGSPOFR-IAQYHMDHSA-N 1 2 375.778 2.785 20 30 GFEDLO CC[N@@H+](Cc1cc(Br)ccc1O[C@H](C)C(=O)NC)C[C@@H](C)C#N ZINC000449018511 563905630 /nfs/dbraw/zinc/90/56/30/563905630.db2.gz SJCPKEGYSPAFRI-QWHCGFSZSA-N 1 2 382.302 2.944 20 30 GFEDLO CC[N@H+](Cc1cc(Br)ccc1O[C@H](C)C(=O)NC)C[C@@H](C)C#N ZINC000449018511 563905631 /nfs/dbraw/zinc/90/56/31/563905631.db2.gz SJCPKEGYSPAFRI-QWHCGFSZSA-N 1 2 382.302 2.944 20 30 GFEDLO Cc1ncc(C[NH+]2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)cn1 ZINC000509006494 564278703 /nfs/dbraw/zinc/27/87/03/564278703.db2.gz BKWZNTCMFNSROK-SFHVURJKSA-N 1 2 386.297 2.930 20 30 GFEDLO C[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)[C@H](CO)c1ccc(Cl)cc1 ZINC000451334214 564301677 /nfs/dbraw/zinc/30/16/77/564301677.db2.gz SGNCAOBJUQWRGT-GOSISDBHSA-N 1 2 378.881 2.651 20 30 GFEDLO C[N@@H+](CCS(=O)(=O)c1cccc(C#N)c1)[C@H](CO)c1ccc(Cl)cc1 ZINC000451334214 564301678 /nfs/dbraw/zinc/30/16/78/564301678.db2.gz SGNCAOBJUQWRGT-GOSISDBHSA-N 1 2 378.881 2.651 20 30 GFEDLO C=CCOc1c(Br)cc(C[NH2+]Cc2ncnn2CC)cc1OC ZINC000475551539 564312459 /nfs/dbraw/zinc/31/24/59/564312459.db2.gz KFZATVMPUZCLIX-UHFFFAOYSA-N 1 2 381.274 2.924 20 30 GFEDLO C=CCN1CC[C@@H](N(CCn2cc[nH+]c2)Cc2ccc(Br)o2)C1=O ZINC000510922006 564350905 /nfs/dbraw/zinc/35/09/05/564350905.db2.gz QJSDIWGUPYEUKW-OAHLLOKOSA-N 1 2 393.285 2.528 20 30 GFEDLO Cc1cc(Br)cn2cc(CNC(=O)COc3ccccc3C#N)[nH+]c12 ZINC000546114212 564446145 /nfs/dbraw/zinc/44/61/45/564446145.db2.gz DPDWBZNUDJITGW-UHFFFAOYSA-N 1 2 399.248 2.972 20 30 GFEDLO C[C@H]([C@H](C)NC(=O)Nc1ccc(C#N)c(Br)c1)[NH+]1CCOCC1 ZINC000487962206 564701016 /nfs/dbraw/zinc/70/10/16/564701016.db2.gz XZEDEEQRXMLNHM-NWDGAFQWSA-N 1 2 381.274 2.551 20 30 GFEDLO C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(C#N)c(Br)c2)c2[nH+]ccn21 ZINC000582946144 564869132 /nfs/dbraw/zinc/86/91/32/564869132.db2.gz UBFDIHJGPNZXEM-NOZJJQNGSA-N 1 2 381.255 2.502 20 30 GFEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)C1=O ZINC000499998676 564942452 /nfs/dbraw/zinc/94/24/52/564942452.db2.gz TUGQCKSDUPBQDU-BLLLJJGKSA-N 1 2 384.307 2.889 20 30 GFEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)C1=O ZINC000499998676 564942455 /nfs/dbraw/zinc/94/24/55/564942455.db2.gz TUGQCKSDUPBQDU-BLLLJJGKSA-N 1 2 384.307 2.889 20 30 GFEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)C1=O ZINC000499998678 564942548 /nfs/dbraw/zinc/94/25/48/564942548.db2.gz TUGQCKSDUPBQDU-LRDDRELGSA-N 1 2 384.307 2.889 20 30 GFEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)C1=O ZINC000499998678 564942552 /nfs/dbraw/zinc/94/25/52/564942552.db2.gz TUGQCKSDUPBQDU-LRDDRELGSA-N 1 2 384.307 2.889 20 30 GFEDLO C=CCOCC[NH+]1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000562761427 565041529 /nfs/dbraw/zinc/04/15/29/565041529.db2.gz YHKUQSGLEOXRRJ-UHFFFAOYSA-N 1 2 379.309 2.502 20 30 GFEDLO N#Cc1ccc(Br)c(C[NH+]2CCN(c3cnccc3C#N)CC2)c1 ZINC000590013551 565176536 /nfs/dbraw/zinc/17/65/36/565176536.db2.gz AMHFZQIEMHDLGY-UHFFFAOYSA-N 1 2 382.265 2.910 20 30 GFEDLO NS(=O)(=O)c1cc(C[NH+]2C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)ccc1F ZINC000638158555 565187832 /nfs/dbraw/zinc/18/78/32/565187832.db2.gz JZXGBTPPRIGTOY-IUCAKERBSA-N 1 2 394.312 2.646 20 30 GFEDLO C[N@@H+]1CCO[C@@H](CN(CC2CC2)C(=O)c2cccc(C#N)c2Br)C1 ZINC000590737105 565198432 /nfs/dbraw/zinc/19/84/32/565198432.db2.gz WXMOYRYHMFAJGM-OAHLLOKOSA-N 1 2 392.297 2.504 20 30 GFEDLO C[N@H+]1CCO[C@@H](CN(CC2CC2)C(=O)c2cccc(C#N)c2Br)C1 ZINC000590737105 565198437 /nfs/dbraw/zinc/19/84/37/565198437.db2.gz WXMOYRYHMFAJGM-OAHLLOKOSA-N 1 2 392.297 2.504 20 30 GFEDLO N#Cc1cc(Br)ccc1CC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000593395669 565329065 /nfs/dbraw/zinc/32/90/65/565329065.db2.gz DKUUHGYWQXFQJU-UHFFFAOYSA-N 1 2 399.292 2.603 20 30 GFEDLO Cc1c(F)c(Br)ccc1C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000597020876 565547418 /nfs/dbraw/zinc/54/74/18/565547418.db2.gz KGFTWJRKCDLSRP-UHFFFAOYSA-N 1 2 398.276 2.585 20 30 GFEDLO COc1cc(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c(Br)cn1 ZINC000598618777 565630399 /nfs/dbraw/zinc/63/03/99/565630399.db2.gz QHDSAPCBFBAKAY-AWEZNQCLSA-N 1 2 389.253 2.773 20 30 GFEDLO COc1cc(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c(Br)cn1 ZINC000598618777 565630403 /nfs/dbraw/zinc/63/04/03/565630403.db2.gz QHDSAPCBFBAKAY-AWEZNQCLSA-N 1 2 389.253 2.773 20 30 GFEDLO C[C@H](C(=O)Nc1ccc(Br)cc1)[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602867301 565871419 /nfs/dbraw/zinc/87/14/19/565871419.db2.gz XWRYTGOIDSTJQL-MGPQQGTHSA-N 1 2 379.302 2.694 20 30 GFEDLO C[C@@H]1C[N@@H+](CC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)C[C@H](C)N1CC#N ZINC000602861838 565871887 /nfs/dbraw/zinc/87/18/87/565871887.db2.gz MCHAYPCFIGRGEI-OKILXGFUSA-N 1 2 383.323 2.870 20 30 GFEDLO C[C@@H]1C[N@H+](CC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)C[C@H](C)N1CC#N ZINC000602861838 565871894 /nfs/dbraw/zinc/87/18/94/565871894.db2.gz MCHAYPCFIGRGEI-OKILXGFUSA-N 1 2 383.323 2.870 20 30 GFEDLO CCN(CC)c1ccc(CNS(=O)(=O)c2ccc(Cl)c(C#N)c2)c[nH+]1 ZINC000603957924 565921239 /nfs/dbraw/zinc/92/12/39/565921239.db2.gz RQCJHGYLEQYAAK-UHFFFAOYSA-N 1 2 378.885 2.931 20 30 GFEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)[C@@H](C)c2c(Cl)cccc2Cl)c1C#N ZINC000611166423 566118416 /nfs/dbraw/zinc/11/84/16/566118416.db2.gz KPOZVYKUHLVHSY-JTQLQIEISA-N 1 2 380.279 2.904 20 30 GFEDLO C#CC[N@@H+](CC(=O)Nc1oc(C)c(C)c1-c1nn[nH]n1)[C@@H]1CCc2ccccc21 ZINC000819697377 607363546 /nfs/dbraw/zinc/36/35/46/607363546.db2.gz CKCRXDICHWBFRC-QGZVFWFLSA-N 1 2 390.447 2.638 20 30 GFEDLO C#CC[N@H+](CC(=O)Nc1oc(C)c(C)c1-c1nn[nH]n1)[C@@H]1CCc2ccccc21 ZINC000819697377 607363547 /nfs/dbraw/zinc/36/35/47/607363547.db2.gz CKCRXDICHWBFRC-QGZVFWFLSA-N 1 2 390.447 2.638 20 30 GFEDLO N#Cc1cccc([C@@H]2CN(c3c(-c4nn[nH]n4)c[nH+]c4ccccc43)CCO2)c1 ZINC000826386367 608052468 /nfs/dbraw/zinc/05/24/68/608052468.db2.gz AZUQXVZUWFBWRN-IBGZPJMESA-N 1 2 383.415 2.864 20 30 GFEDLO C#C[C@H](NC(=O)NCC[N@H+]1CCOCC1(C)C)c1ccc(Br)cc1 ZINC000836316645 660899522 /nfs/dbraw/zinc/89/95/22/660899522.db2.gz SZBCBOXYZJBGKJ-INIZCTEOSA-N 1 2 394.313 2.533 20 30 GFEDLO C#C[C@H](NC(=O)NCC[N@@H+]1CCOCC1(C)C)c1ccc(Br)cc1 ZINC000836316645 660899524 /nfs/dbraw/zinc/89/95/24/660899524.db2.gz SZBCBOXYZJBGKJ-INIZCTEOSA-N 1 2 394.313 2.533 20 30 GFEDLO COc1cccc(NC(=O)CO[NH+]=C(N)c2ccc(Br)cc2)c1 ZINC000782948506 657195940 /nfs/dbraw/zinc/19/59/40/657195940.db2.gz JNUWTIMMJFUIEM-UHFFFAOYSA-N 1 2 378.226 2.733 20 30 GFEDLO Cc1cc(C#N)nc(Nc2ccc(N3CC[NH+](C)CC3)c(Br)c2)n1 ZINC000804646421 659664115 /nfs/dbraw/zinc/66/41/15/659664115.db2.gz BWHVPAKPILPSOZ-UHFFFAOYSA-N 1 2 387.285 2.915 20 30 GFEDLO CCOC(=O)c1c(C)onc1CO[NH+]=C(N)c1ccc(Br)cc1 ZINC000809998557 659956017 /nfs/dbraw/zinc/95/60/17/659956017.db2.gz UAHROQPHCMDTQB-UHFFFAOYSA-N 1 2 382.214 2.759 20 30 GFEDLO C=C[C@H](C)ONC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000845616762 661484035 /nfs/dbraw/zinc/48/40/35/661484035.db2.gz MRJDJESMVXYPPY-LBPRGKRZSA-N 1 2 383.246 2.957 20 30 GFEDLO C#C[C@@H]1CCC[N@@H+](Cn2c3cc(S(=O)(=O)N(C)C)ccc3oc2=S)C1 ZINC000848493557 661656083 /nfs/dbraw/zinc/65/60/83/661656083.db2.gz OVVDDQNCCOHRBS-CYBMUJFWSA-N 1 2 379.507 2.517 20 30 GFEDLO C#C[C@@H]1CCC[N@H+](Cn2c3cc(S(=O)(=O)N(C)C)ccc3oc2=S)C1 ZINC000848493557 661656086 /nfs/dbraw/zinc/65/60/86/661656086.db2.gz OVVDDQNCCOHRBS-CYBMUJFWSA-N 1 2 379.507 2.517 20 30 GFEDLO N#Cc1cccc(Br)c1Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000865505075 662425534 /nfs/dbraw/zinc/42/55/34/662425534.db2.gz BIFNBQAWKZZGRP-UHFFFAOYSA-N 1 2 376.258 2.593 20 30 GFEDLO C=C(Cl)C[C@H]([NH3+])c1nc(CS(=O)(=O)Cc2ccc(Cl)cc2)no1 ZINC000872184147 662757476 /nfs/dbraw/zinc/75/74/76/662757476.db2.gz RQHUYKXBFNIGJN-LBPRGKRZSA-N 1 2 376.265 2.980 20 30 GFEDLO N#Cc1ccc(C[N@H+]2CCc3c(CC(N)=O)cccc3C2)c(Br)c1 ZINC000879233275 662921257 /nfs/dbraw/zinc/92/12/57/662921257.db2.gz SYBGSOYCFFGAIT-UHFFFAOYSA-N 1 2 384.277 2.907 20 30 GFEDLO N#Cc1ccc(C[N@@H+]2CCc3c(CC(N)=O)cccc3C2)c(Br)c1 ZINC000879233275 662921258 /nfs/dbraw/zinc/92/12/58/662921258.db2.gz SYBGSOYCFFGAIT-UHFFFAOYSA-N 1 2 384.277 2.907 20 30 GFEDLO N#Cc1nc(NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)ccc1Br ZINC000883085854 663048241 /nfs/dbraw/zinc/04/82/41/663048241.db2.gz COMTWKVJRMTFHP-SNVBAGLBSA-N 1 2 375.230 2.850 20 30 GFEDLO N#Cc1nc(NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)ccc1Br ZINC000883085853 663048267 /nfs/dbraw/zinc/04/82/67/663048267.db2.gz COMTWKVJRMTFHP-JTQLQIEISA-N 1 2 375.230 2.850 20 30 GFEDLO C=CCCn1cc(C[NH2+][C@H]2CCc3cc(Br)ccc3NC2=O)nn1 ZINC000883387302 663054750 /nfs/dbraw/zinc/05/47/50/663054750.db2.gz VISLKJIVCNRJDW-INIZCTEOSA-N 1 2 390.285 2.660 20 30 GFEDLO C=CCC1(O)CC[NH+](CCS(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000886755301 663117172 /nfs/dbraw/zinc/11/71/72/663117172.db2.gz DRNWPQYEAQOQAJ-UHFFFAOYSA-N 1 2 388.327 2.626 20 30 GFEDLO Cc1cc(C#N)cc(C)c1C[NH2+]Cc1nn(C)cc1I ZINC000922162055 664588436 /nfs/dbraw/zinc/58/84/36/664588436.db2.gz IZFQXMFNJUUCRA-UHFFFAOYSA-N 1 2 380.233 2.803 20 30 GFEDLO N#Cc1cc(Cl)cc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)n1 ZINC001164944361 721972896 /nfs/dbraw/zinc/97/28/96/721972896.db2.gz HRVNURIMMCCION-UHFFFAOYSA-N 1 2 395.894 2.578 20 30 GFEDLO N#Cc1cc(Cl)cc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)n1 ZINC001164944361 721972897 /nfs/dbraw/zinc/97/28/97/721972897.db2.gz HRVNURIMMCCION-UHFFFAOYSA-N 1 2 395.894 2.578 20 30 GFEDLO C[N@H+](CCC#N)C[C@H](O)COc1ccc(OC(F)(F)F)c(Br)c1 ZINC000414128445 563720391 /nfs/dbraw/zinc/72/03/91/563720391.db2.gz SAAWAOHIHSAGPS-JTQLQIEISA-N 1 2 397.191 2.933 20 30 GFEDLO C[N@@H+](CCC#N)C[C@H](O)COc1ccc(OC(F)(F)F)c(Br)c1 ZINC000414128445 563720395 /nfs/dbraw/zinc/72/03/95/563720395.db2.gz SAAWAOHIHSAGPS-JTQLQIEISA-N 1 2 397.191 2.933 20 30 GFEDLO C=CC[NH+]1CCC(NS(=O)(=O)c2cc(Br)c(F)cc2F)CC1 ZINC000171536393 551657519 /nfs/dbraw/zinc/65/75/19/551657519.db2.gz BARBEGOBMOOGSH-UHFFFAOYSA-N 1 2 395.269 2.656 20 30 GFEDLO C=CC[N@@H+](CCc1cc(Cl)c2c(c1)OCCCO2)[C@@H]1CCS(=O)(=O)C1 ZINC000182899349 552295589 /nfs/dbraw/zinc/29/55/89/552295589.db2.gz MILLEKNOGASAQG-OAHLLOKOSA-N 1 2 385.913 2.719 20 30 GFEDLO C=CC[N@H+](CCc1cc(Cl)c2c(c1)OCCCO2)[C@@H]1CCS(=O)(=O)C1 ZINC000182899349 552295590 /nfs/dbraw/zinc/29/55/90/552295590.db2.gz MILLEKNOGASAQG-OAHLLOKOSA-N 1 2 385.913 2.719 20 30 GFEDLO N#C[C@@H](c1ccc(Br)cc1)N1CC[NH+](CCOCC(F)F)CC1 ZINC000189799590 552480225 /nfs/dbraw/zinc/48/02/25/552480225.db2.gz JVZNLTNYFAZMLW-HNNXBMFYSA-N 1 2 388.256 2.913 20 30 GFEDLO N#Cc1ccc(Br)c(C[NH+]2CCN(c3ncccc3C#N)CC2)c1 ZINC000191772216 552537445 /nfs/dbraw/zinc/53/74/45/552537445.db2.gz CKNNALQQUUMWJF-UHFFFAOYSA-N 1 2 382.265 2.910 20 30 GFEDLO CC(C)[C@H](NS(=O)(=O)c1ccc(C#N)c(Br)c1)c1[nH]cc[nH+]1 ZINC000296221442 563279721 /nfs/dbraw/zinc/27/97/21/563279721.db2.gz WXXCFWFWJNRGIA-ZDUSSCGKSA-N 1 2 383.271 2.719 20 30 GFEDLO N#Cc1c(F)ccc(C[NH+]2CCC(S(=O)(=O)N3CCCC3)CC2)c1Cl ZINC000374353877 563368636 /nfs/dbraw/zinc/36/86/36/563368636.db2.gz WINCTYRCXIKMPJ-UHFFFAOYSA-N 1 2 385.892 2.741 20 30 GFEDLO C#CCC[NH+]1CCN(c2cnn(-c3ccc(Cl)cc3)c(=O)c2Cl)CC1 ZINC000301977627 563417451 /nfs/dbraw/zinc/41/74/51/563417451.db2.gz FWSDZBXJIGZILK-UHFFFAOYSA-N 1 2 377.275 2.685 20 30 GFEDLO O=C(COc1ccsc1Cl)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000328890563 563467702 /nfs/dbraw/zinc/46/77/02/563467702.db2.gz RRSMCGHTKKYHTI-HNNXBMFYSA-N 1 2 376.931 2.945 20 30 GFEDLO C[N@@H+]1CCO[C@@H]2CN(CC(=O)Nc3ccc(OC(F)F)c(Cl)c3)C[C@H]21 ZINC000330308597 563501083 /nfs/dbraw/zinc/50/10/83/563501083.db2.gz SXKXWEGRRMPAJP-TZMCWYRMSA-N 1 2 375.803 2.544 20 30 GFEDLO C[N@H+]1CCO[C@@H]2CN(CC(=O)Nc3ccc(OC(F)F)c(Cl)c3)C[C@H]21 ZINC000330308597 563501085 /nfs/dbraw/zinc/50/10/85/563501085.db2.gz SXKXWEGRRMPAJP-TZMCWYRMSA-N 1 2 375.803 2.544 20 30 GFEDLO C[C@@H]1CCN(S(=O)(=O)c2ccc(C#N)s2)CC[N@@H+]1Cc1ccccc1 ZINC000383095153 563516437 /nfs/dbraw/zinc/51/64/37/563516437.db2.gz YELPMDUTEKHVFS-OAHLLOKOSA-N 1 2 375.519 2.905 20 30 GFEDLO C[C@@H]1CCN(S(=O)(=O)c2ccc(C#N)s2)CC[N@H+]1Cc1ccccc1 ZINC000383095153 563516439 /nfs/dbraw/zinc/51/64/39/563516439.db2.gz YELPMDUTEKHVFS-OAHLLOKOSA-N 1 2 375.519 2.905 20 30 GFEDLO C[N@@H+]1CCO[C@H](CNC(=O)N[C@@H](c2ccc(F)c(Cl)c2)C(F)(F)F)C1 ZINC000331315786 563545310 /nfs/dbraw/zinc/54/53/10/563545310.db2.gz FFHQZJHWXMPVTO-MFKMUULPSA-N 1 2 383.773 2.917 20 30 GFEDLO C[N@H+]1CCO[C@H](CNC(=O)N[C@@H](c2ccc(F)c(Cl)c2)C(F)(F)F)C1 ZINC000331315786 563545313 /nfs/dbraw/zinc/54/53/13/563545313.db2.gz FFHQZJHWXMPVTO-MFKMUULPSA-N 1 2 383.773 2.917 20 30 GFEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@H](c3cccc(Cl)c3)C2)nc1 ZINC000433310871 563608961 /nfs/dbraw/zinc/60/89/61/563608961.db2.gz DTWIEITTZQHBMF-INIZCTEOSA-N 1 2 375.881 2.870 20 30 GFEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@H](c3cccc(Cl)c3)C2)nc1 ZINC000433310871 563608962 /nfs/dbraw/zinc/60/89/62/563608962.db2.gz DTWIEITTZQHBMF-INIZCTEOSA-N 1 2 375.881 2.870 20 30 GFEDLO C=CCOc1c(Br)cc(C[N@@H+]2CCOC[C@H](O)C2)cc1OCC ZINC000449416704 564185318 /nfs/dbraw/zinc/18/53/18/564185318.db2.gz VHJNDCASHVQDFB-CQSZACIVSA-N 1 2 386.286 2.606 20 30 GFEDLO C=CCOc1c(Br)cc(C[N@H+]2CCOC[C@H](O)C2)cc1OCC ZINC000449416704 564185322 /nfs/dbraw/zinc/18/53/22/564185322.db2.gz VHJNDCASHVQDFB-CQSZACIVSA-N 1 2 386.286 2.606 20 30 GFEDLO Cc1nn(C)c(N2CC[NH+](Cc3sccc3Br)CC2)c1C#N ZINC000471803473 564205063 /nfs/dbraw/zinc/20/50/63/564205063.db2.gz HMNCPYMISBXWNH-UHFFFAOYSA-N 1 2 380.315 2.746 20 30 GFEDLO CC[C@@H]1C[N@H+](CC)CCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000451927533 564368489 /nfs/dbraw/zinc/36/84/89/564368489.db2.gz BZGLASKRTCNAMX-CQSZACIVSA-N 1 2 375.416 2.682 20 30 GFEDLO CC[C@@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000451927533 564368491 /nfs/dbraw/zinc/36/84/91/564368491.db2.gz BZGLASKRTCNAMX-CQSZACIVSA-N 1 2 375.416 2.682 20 30 GFEDLO C[C@@H](C#N)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccc(I)cc1 ZINC000478446233 564402327 /nfs/dbraw/zinc/40/23/27/564402327.db2.gz MBNCABRTJHZLIL-WFASDCNBSA-N 1 2 397.260 2.531 20 30 GFEDLO C[C@@H](C#N)C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccc(I)cc1 ZINC000478446233 564402329 /nfs/dbraw/zinc/40/23/29/564402329.db2.gz MBNCABRTJHZLIL-WFASDCNBSA-N 1 2 397.260 2.531 20 30 GFEDLO C=C(C)CN(CC)C(=O)C[N@H+](CCO)Cc1ccc(Br)s1 ZINC000485103097 564606434 /nfs/dbraw/zinc/60/64/34/564606434.db2.gz FJEMRUKCHGBXSH-UHFFFAOYSA-N 1 2 375.332 2.730 20 30 GFEDLO C=C(C)CN(CC)C(=O)C[N@@H+](CCO)Cc1ccc(Br)s1 ZINC000485103097 564606439 /nfs/dbraw/zinc/60/64/39/564606439.db2.gz FJEMRUKCHGBXSH-UHFFFAOYSA-N 1 2 375.332 2.730 20 30 GFEDLO C[C@H]1C[C@@H](NS(=O)(=O)c2cccc(Br)c2C#N)c2[nH+]ccn21 ZINC000520730673 564611399 /nfs/dbraw/zinc/61/13/99/564611399.db2.gz GMRPYMMLYVLYJJ-JOYOIKCWSA-N 1 2 381.255 2.502 20 30 GFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000520966663 564616784 /nfs/dbraw/zinc/61/67/84/564616784.db2.gz FQHKNUVJIXRPQQ-CABCVRRESA-N 1 2 378.270 2.655 20 30 GFEDLO CSc1[nH]c(=O)c(C(=O)N(CC[NH+](C)C)Cc2ccsc2)cc1C#N ZINC000458204403 564693442 /nfs/dbraw/zinc/69/34/42/564693442.db2.gz QCWFBQKLIOHDFS-UHFFFAOYSA-N 1 2 376.507 2.646 20 30 GFEDLO C=CCC[C@@H](CO)NC(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000458654992 564710540 /nfs/dbraw/zinc/71/05/40/564710540.db2.gz LAHKWISGOCUHTP-ZDUSSCGKSA-N 1 2 381.274 2.532 20 30 GFEDLO Cc1nn(C)c(N2CC[NH+](Cc3cc(C#N)ccc3Br)CC2)c1C#N ZINC000493690853 564809522 /nfs/dbraw/zinc/80/95/22/564809522.db2.gz ZRNHWWRZUGNADF-UHFFFAOYSA-N 1 2 399.296 2.557 20 30 GFEDLO CCN(CCC#N)C(=O)C[N@H+](CCOC)Cc1cc(Br)cs1 ZINC000494007346 564816258 /nfs/dbraw/zinc/81/62/58/564816258.db2.gz QHTYLWQSALKLLJ-UHFFFAOYSA-N 1 2 388.331 2.721 20 30 GFEDLO CCN(CCC#N)C(=O)C[N@@H+](CCOC)Cc1cc(Br)cs1 ZINC000494007346 564816262 /nfs/dbraw/zinc/81/62/62/564816262.db2.gz QHTYLWQSALKLLJ-UHFFFAOYSA-N 1 2 388.331 2.721 20 30 GFEDLO C=CCN1CC[C@H]([N@H+]2CCO[C@H](c3ccc(Br)cc3)[C@H]2C)C1=O ZINC000499577368 564931143 /nfs/dbraw/zinc/93/11/43/564931143.db2.gz SVHHFYWQYLLLJH-COXVUDFISA-N 1 2 379.298 2.998 20 30 GFEDLO C=CCN1CC[C@H]([N@@H+]2CCO[C@H](c3ccc(Br)cc3)[C@H]2C)C1=O ZINC000499577368 564931147 /nfs/dbraw/zinc/93/11/47/564931147.db2.gz SVHHFYWQYLLLJH-COXVUDFISA-N 1 2 379.298 2.998 20 30 GFEDLO NS(=O)(=O)c1ccc(C[NH+]2C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)c(F)c1 ZINC000638159643 565187397 /nfs/dbraw/zinc/18/73/97/565187397.db2.gz RSYAUHKALHTADR-UWVGGRQHSA-N 1 2 394.312 2.646 20 30 GFEDLO N#CC[C@]1(O)CC[N@H+](Cc2cc(Cl)ccc2I)C1 ZINC000593036289 565309660 /nfs/dbraw/zinc/30/96/60/565309660.db2.gz XLSGZEKMLUKMCG-ZDUSSCGKSA-N 1 2 376.625 2.795 20 30 GFEDLO N#CC[C@]1(O)CC[N@@H+](Cc2cc(Cl)ccc2I)C1 ZINC000593036289 565309666 /nfs/dbraw/zinc/30/96/66/565309666.db2.gz XLSGZEKMLUKMCG-ZDUSSCGKSA-N 1 2 376.625 2.795 20 30 GFEDLO Cc1ccc2c(ncc(C#N)c2NC[C@H]2COCC[N@H+]2C)c1Br ZINC000599160894 565658945 /nfs/dbraw/zinc/65/89/45/565658945.db2.gz KZDXMBNYDBSDDQ-ZDUSSCGKSA-N 1 2 375.270 2.920 20 30 GFEDLO Cc1ccc2c(ncc(C#N)c2NC[C@H]2COCC[N@@H+]2C)c1Br ZINC000599160894 565658950 /nfs/dbraw/zinc/65/89/50/565658950.db2.gz KZDXMBNYDBSDDQ-ZDUSSCGKSA-N 1 2 375.270 2.920 20 30 GFEDLO N#Cc1ccccc1N1CC[NH+](Cc2cnn3cc(Br)cnc23)CC1 ZINC000602439361 565848696 /nfs/dbraw/zinc/84/86/96/565848696.db2.gz ZILBUJDMVVSIBS-UHFFFAOYSA-N 1 2 397.280 2.686 20 30 GFEDLO C[C@H](C(=O)Nc1cccc(Br)c1)[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602856742 565870830 /nfs/dbraw/zinc/87/08/30/565870830.db2.gz NFBNBPDZFQZIRA-MELADBBJSA-N 1 2 379.302 2.694 20 30 GFEDLO CC(C)[C@H](C#N)N1CC[NH+](C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000609539366 566042954 /nfs/dbraw/zinc/04/29/54/566042954.db2.gz YNWMEZRIYKFLFA-YOEHRIQHSA-N 1 2 386.323 2.899 20 30 GFEDLO CC(C)[C@@H](C#N)N1CC[NH+](C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000609539364 566043026 /nfs/dbraw/zinc/04/30/26/566043026.db2.gz YNWMEZRIYKFLFA-RHSMWYFYSA-N 1 2 386.323 2.899 20 30 GFEDLO C=CC[N@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1ccc(F)cc1C(=O)OC ZINC000735426075 598760268 /nfs/dbraw/zinc/76/02/68/598760268.db2.gz JYCFZOLPQUKISA-UHFFFAOYSA-N 1 2 381.411 2.981 20 30 GFEDLO C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1ccc(F)cc1C(=O)OC ZINC000735426075 598760269 /nfs/dbraw/zinc/76/02/69/598760269.db2.gz JYCFZOLPQUKISA-UHFFFAOYSA-N 1 2 381.411 2.981 20 30 GFEDLO CC(C)CSCCC[NH+]1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000178586619 655305429 /nfs/dbraw/zinc/30/54/29/655305429.db2.gz QJNYFIRKOUYPGA-UHFFFAOYSA-N 1 2 381.567 2.644 20 30 GFEDLO C#CCOc1cccc(Cl)c1C[NH+]1CCC(NS(=O)(=O)CCC)CC1 ZINC000779154391 656902353 /nfs/dbraw/zinc/90/23/53/656902353.db2.gz ULOWUSGMEHEKAN-UHFFFAOYSA-N 1 2 384.929 2.646 20 30 GFEDLO Cc1ccccc1CNC(=O)CO[NH+]=C(N)c1ccc(Br)cc1 ZINC000782947500 657195136 /nfs/dbraw/zinc/19/51/36/657195136.db2.gz AGEJRORVTMKHNE-UHFFFAOYSA-N 1 2 376.254 2.711 20 30 GFEDLO CN(Cc1ccccc1F)C(=O)CO[NH+]=C(N)c1ccc(Br)cc1 ZINC000782949016 657195564 /nfs/dbraw/zinc/19/55/64/657195564.db2.gz AMCXRDKUTILNER-UHFFFAOYSA-N 1 2 394.244 2.884 20 30 GFEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2cc(Br)cc(C)c2O)n1 ZINC000789761848 657888721 /nfs/dbraw/zinc/88/87/21/657888721.db2.gz LTCDOQSSTSQUPK-UHFFFAOYSA-N 1 2 392.297 2.941 20 30 GFEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2cc(Br)cc(C)c2O)n1 ZINC000789761848 657888724 /nfs/dbraw/zinc/88/87/24/657888724.db2.gz LTCDOQSSTSQUPK-UHFFFAOYSA-N 1 2 392.297 2.941 20 30 GFEDLO C[C@](O)(C[NH+]1CCN(CCC#N)CC1)c1ccc(Br)cc1Cl ZINC000815077166 660109956 /nfs/dbraw/zinc/10/99/56/660109956.db2.gz ALCQQNHRCPAOMG-INIZCTEOSA-N 1 2 386.721 2.841 20 30 GFEDLO C[NH+]1CCN(c2ccc(NC(=O)CC3(C#N)CC3)cc2Br)CC1 ZINC000816409416 660156274 /nfs/dbraw/zinc/15/62/74/660156274.db2.gz NUPHCPQDNUCUST-UHFFFAOYSA-N 1 2 377.286 2.833 20 30 GFEDLO Cc1nn(C)c(N2CCOCC2)c1C=[NH+]Nc1cc(F)ccc1Br ZINC000841652058 661307268 /nfs/dbraw/zinc/30/72/68/661307268.db2.gz CQYUSDHCVYLKSK-UHFFFAOYSA-N 1 2 396.264 2.913 20 30 GFEDLO N#Cc1cc(/C=C2/SC(=S)N(CCC[NH+]3CCOCC3)C2=O)cs1 ZINC000899260366 663681302 /nfs/dbraw/zinc/68/13/02/663681302.db2.gz DOJWWAFWUZPZPM-NTEUORMPSA-N 1 2 379.532 2.543 20 30 GFEDLO CCOc1ccc(Br)cc1C[N@H+](CC(=O)NCCC#N)C1CC1 ZINC000917177516 664477726 /nfs/dbraw/zinc/47/77/26/664477726.db2.gz RNTBPKLQITVSAQ-UHFFFAOYSA-N 1 2 380.286 2.842 20 30 GFEDLO CCOc1ccc(Br)cc1C[N@@H+](CC(=O)NCCC#N)C1CC1 ZINC000917177516 664477729 /nfs/dbraw/zinc/47/77/29/664477729.db2.gz RNTBPKLQITVSAQ-UHFFFAOYSA-N 1 2 380.286 2.842 20 30 GFEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000931378651 664793156 /nfs/dbraw/zinc/79/31/56/664793156.db2.gz CIUDDSFVUIIZAM-GFCCVEGCSA-N 1 2 381.274 2.505 20 30 GFEDLO C=CC[N@@H+](CCc1nc(-c2cccc(Cl)c2)no1)[C@@H]1CCS(=O)(=O)C1 ZINC000158062283 551546796 /nfs/dbraw/zinc/54/67/96/551546796.db2.gz XJIAODRSBNJNCS-OAHLLOKOSA-N 1 2 381.885 2.608 20 30 GFEDLO C=CC[N@H+](CCc1nc(-c2cccc(Cl)c2)no1)[C@@H]1CCS(=O)(=O)C1 ZINC000158062283 551546800 /nfs/dbraw/zinc/54/68/00/551546800.db2.gz XJIAODRSBNJNCS-OAHLLOKOSA-N 1 2 381.885 2.608 20 30 GFEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC000174830777 552111609 /nfs/dbraw/zinc/11/16/09/552111609.db2.gz MTVKASQCACUWRC-UHFFFAOYSA-N 1 2 382.295 2.689 20 30 GFEDLO CCN(CC)c1ccc(CNS(=O)(=O)c2cc(C#N)ccc2Cl)c[nH+]1 ZINC000186289994 552383737 /nfs/dbraw/zinc/38/37/37/552383737.db2.gz XJKFPKSPCWJOAN-UHFFFAOYSA-N 1 2 378.885 2.931 20 30 GFEDLO CCOC1CC(C/N=C/c2cc(Br)ccc2O)([NH+]2CCOCC2)C1 ZINC000193738605 553001421 /nfs/dbraw/zinc/00/14/21/553001421.db2.gz TVNCFHPCHIRGMJ-UDWIEESQSA-N 1 2 397.313 2.844 20 30 GFEDLO N#Cc1ncn(C2CC[NH+](CC(=O)Nc3ccc(Cl)cc3Cl)CC2)n1 ZINC000369390138 563213104 /nfs/dbraw/zinc/21/31/04/563213104.db2.gz WVWHLZJQEMIHIC-UHFFFAOYSA-N 1 2 379.251 2.732 20 30 GFEDLO N#Cc1ncn(C2CC[NH+](Cc3nc4cc(Br)ccc4[nH]3)CC2)n1 ZINC000373413914 563337513 /nfs/dbraw/zinc/33/75/13/563337513.db2.gz UDCXBMJQQKVFTK-UHFFFAOYSA-N 1 2 386.257 2.626 20 30 GFEDLO N#Cc1ncn(C2CC[NH+](Cc3nc4ccc(Br)cc4[nH]3)CC2)n1 ZINC000373413914 563337515 /nfs/dbraw/zinc/33/75/15/563337515.db2.gz UDCXBMJQQKVFTK-UHFFFAOYSA-N 1 2 386.257 2.626 20 30 GFEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CC[S@](=O)C[C@H](C)C3)n2)C1 ZINC000329337823 563478196 /nfs/dbraw/zinc/47/81/96/563478196.db2.gz QCKLKYBJMXHLGN-IEBYYPBYSA-N 1 2 384.571 2.621 20 30 GFEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CC[S@](=O)C[C@H](C)C3)n2)C1 ZINC000329337823 563478198 /nfs/dbraw/zinc/47/81/98/563478198.db2.gz QCKLKYBJMXHLGN-IEBYYPBYSA-N 1 2 384.571 2.621 20 30 GFEDLO CC[N@@H+]1C[C@H](C)N(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)C[C@@H]1C ZINC000330374361 563502985 /nfs/dbraw/zinc/50/29/85/563502985.db2.gz MRMXGWVZAWCRLN-RYUDHWBXSA-N 1 2 375.416 2.680 20 30 GFEDLO CC[N@H+]1C[C@H](C)N(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)C[C@@H]1C ZINC000330374361 563502989 /nfs/dbraw/zinc/50/29/89/563502989.db2.gz MRMXGWVZAWCRLN-RYUDHWBXSA-N 1 2 375.416 2.680 20 30 GFEDLO CC[C@@H]1CN(C(=O)c2cccc(C#N)c2Br)C[C@H]1[NH+]1CCOCC1 ZINC000331299906 563544204 /nfs/dbraw/zinc/54/42/04/563544204.db2.gz BLZXDTPLQBZLOQ-CZUORRHYSA-N 1 2 392.297 2.504 20 30 GFEDLO C[C@H]([NH2+][C@@H](C)c1ncc(Br)cn1)C(=O)NC1(C#N)CCCCC1 ZINC000431078003 563552702 /nfs/dbraw/zinc/55/27/02/563552702.db2.gz RIVPWKLORNOPRT-RYUDHWBXSA-N 1 2 380.290 2.621 20 30 GFEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)s2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000435441359 563651404 /nfs/dbraw/zinc/65/14/04/563651404.db2.gz BNVZIMAEKORNFO-CABCVRRESA-N 1 2 375.519 2.903 20 30 GFEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)s2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000435441359 563651407 /nfs/dbraw/zinc/65/14/07/563651407.db2.gz BNVZIMAEKORNFO-CABCVRRESA-N 1 2 375.519 2.903 20 30 GFEDLO CC[C@@H](C#N)Sc1nc2ccsc2c(=O)n1CCC[NH+]1CCOCC1 ZINC000436049878 563663554 /nfs/dbraw/zinc/66/35/54/563663554.db2.gz YMDUALDJMKVDSW-ZDUSSCGKSA-N 1 2 378.523 2.575 20 30 GFEDLO N#Cc1ccnc(N2CC[NH+](Cc3cn4ccc(Br)cc4n3)CC2)c1 ZINC000290373587 563707010 /nfs/dbraw/zinc/70/70/10/563707010.db2.gz HYAKJZZYXVTEAK-UHFFFAOYSA-N 1 2 397.280 2.686 20 30 GFEDLO CCn1c(SC[C@@H](O)C[N@H+](C)CCC#N)nnc1-c1ccc(Cl)cc1 ZINC000414092703 563718884 /nfs/dbraw/zinc/71/88/84/563718884.db2.gz GKWQIFFMYSXDDS-HNNXBMFYSA-N 1 2 379.917 2.917 20 30 GFEDLO CCn1c(SC[C@@H](O)C[N@@H+](C)CCC#N)nnc1-c1ccc(Cl)cc1 ZINC000414092703 563718887 /nfs/dbraw/zinc/71/88/87/563718887.db2.gz GKWQIFFMYSXDDS-HNNXBMFYSA-N 1 2 379.917 2.917 20 30 GFEDLO CC(C)[C@H](NS(=O)(=O)c1cc(Br)ccc1C#N)c1[nH]cc[nH+]1 ZINC000416481661 563835761 /nfs/dbraw/zinc/83/57/61/563835761.db2.gz CYQDHKVFTGBQKM-ZDUSSCGKSA-N 1 2 383.271 2.719 20 30 GFEDLO C=CCCS(=O)(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000416642095 563857179 /nfs/dbraw/zinc/85/71/79/563857179.db2.gz FJYFDARSGBRVCL-UHFFFAOYSA-N 1 2 387.343 2.909 20 30 GFEDLO C=CCNC(=O)C[N@H+]1CCC[C@@H]1c1nc(-c2cccc(Br)c2)no1 ZINC000368997811 563884312 /nfs/dbraw/zinc/88/43/12/563884312.db2.gz HDNVPBBWVIGFHY-CQSZACIVSA-N 1 2 391.269 2.938 20 30 GFEDLO C=CCNC(=O)C[N@@H+]1CCC[C@@H]1c1nc(-c2cccc(Br)c2)no1 ZINC000368997811 563884313 /nfs/dbraw/zinc/88/43/13/563884313.db2.gz HDNVPBBWVIGFHY-CQSZACIVSA-N 1 2 391.269 2.938 20 30 GFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc(I)c(Cl)c1 ZINC000566308936 564321837 /nfs/dbraw/zinc/32/18/37/564321837.db2.gz LJPCNOFNCBQHME-CYBMUJFWSA-N 1 2 391.640 2.518 20 30 GFEDLO CC[C@H]1C[N@H+](CC)CCN1S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000451928638 564368548 /nfs/dbraw/zinc/36/85/48/564368548.db2.gz DXMTYMJERFSFFX-ZDUSSCGKSA-N 1 2 375.416 2.682 20 30 GFEDLO CC[C@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000451928638 564368551 /nfs/dbraw/zinc/36/85/51/564368551.db2.gz DXMTYMJERFSFFX-ZDUSSCGKSA-N 1 2 375.416 2.682 20 30 GFEDLO CC(C)(C)[N@@H+]1CCc2nc(NS(=O)(=O)c3cccc(C#N)c3)sc2C1 ZINC000568619306 564426810 /nfs/dbraw/zinc/42/68/10/564426810.db2.gz SZBGZULMOQHTJP-UHFFFAOYSA-N 1 2 376.507 2.972 20 30 GFEDLO CC(C)(C)[N@H+]1CCc2nc(NS(=O)(=O)c3cccc(C#N)c3)sc2C1 ZINC000568619306 564426813 /nfs/dbraw/zinc/42/68/13/564426813.db2.gz SZBGZULMOQHTJP-UHFFFAOYSA-N 1 2 376.507 2.972 20 30 GFEDLO N#Cc1ccc(OCC(=O)N2CCC[C@H]2Cn2cc[nH+]c2)cc1Br ZINC000571254564 564543037 /nfs/dbraw/zinc/54/30/37/564543037.db2.gz ONUQOPBDWFOMRZ-AWEZNQCLSA-N 1 2 389.253 2.587 20 30 GFEDLO N#Cc1cccc(S(=O)(=O)CC[NH2+][C@H](CO)c2c(Cl)cccc2Cl)c1 ZINC000483250865 564561882 /nfs/dbraw/zinc/56/18/82/564561882.db2.gz PQKGOMLFERSGJD-MRXNPFEDSA-N 1 2 399.299 2.962 20 30 GFEDLO C[C@H]1C[C@@H](NC(=O)COc2cccc(Br)c2C#N)c2[nH+]ccn21 ZINC000519748576 564589395 /nfs/dbraw/zinc/58/93/95/564589395.db2.gz KLXLELPSOBUBOA-GXFFZTMASA-N 1 2 375.226 2.718 20 30 GFEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)COc1cccc(Br)c1C#N ZINC000456360420 564602290 /nfs/dbraw/zinc/60/22/90/564602290.db2.gz VCBLDFCCDWHZIP-LLVKDONJSA-N 1 2 377.242 2.793 20 30 GFEDLO C[C@@H]1C[C@@H](NS(=O)(=O)c2cccc(Br)c2C#N)c2[nH+]ccn21 ZINC000520730671 564610846 /nfs/dbraw/zinc/61/08/46/564610846.db2.gz GMRPYMMLYVLYJJ-BXKDBHETSA-N 1 2 381.255 2.502 20 30 GFEDLO C[NH+](C)Cc1csc(NC(=O)COc2ccc(C#N)c(Br)c2)n1 ZINC000457284863 564654462 /nfs/dbraw/zinc/65/44/62/564654462.db2.gz FTAXIOXRGRLYJP-UHFFFAOYSA-N 1 2 395.282 2.856 20 30 GFEDLO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(F)c(C#N)c1)c1ccccc1Cl ZINC000488935232 564724487 /nfs/dbraw/zinc/72/44/87/564724487.db2.gz BDHHHNUYQNBNCL-KRWDZBQOSA-N 1 2 381.860 2.932 20 30 GFEDLO C[C@@H](O)CNc1[nH+]c2ccccc2n1Cc1cc(C#N)ccc1Br ZINC000492745386 564803776 /nfs/dbraw/zinc/80/37/76/564803776.db2.gz IISKHRXCNFSZFV-GFCCVEGCSA-N 1 2 385.265 2.933 20 30 GFEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)Cc1cc(Br)ccc1Cl ZINC000494273918 564821091 /nfs/dbraw/zinc/82/10/91/564821091.db2.gz LXEUQDBYDMTBNA-SNVBAGLBSA-N 1 2 388.693 2.935 20 30 GFEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)Cc1cc(Br)ccc1Cl ZINC000494273918 564821095 /nfs/dbraw/zinc/82/10/95/564821095.db2.gz LXEUQDBYDMTBNA-SNVBAGLBSA-N 1 2 388.693 2.935 20 30 GFEDLO CCOC(=O)C[C@H]1C[C@H](OC)C[N@@H+]1Cc1ccc(Br)cc1C#N ZINC000558126168 564892607 /nfs/dbraw/zinc/89/26/07/564892607.db2.gz PAIHGEAPJSBWGI-CVEARBPZSA-N 1 2 381.270 2.863 20 30 GFEDLO CCOC(=O)C[C@H]1C[C@H](OC)C[N@H+]1Cc1ccc(Br)cc1C#N ZINC000558126168 564892609 /nfs/dbraw/zinc/89/26/09/564892609.db2.gz PAIHGEAPJSBWGI-CVEARBPZSA-N 1 2 381.270 2.863 20 30 GFEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)C1=O ZINC000500017215 564942308 /nfs/dbraw/zinc/94/23/08/564942308.db2.gz IVLGUDPMMQAONK-LRDDRELGSA-N 1 2 384.307 2.889 20 30 GFEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)C1=O ZINC000500017215 564942312 /nfs/dbraw/zinc/94/23/12/564942312.db2.gz IVLGUDPMMQAONK-LRDDRELGSA-N 1 2 384.307 2.889 20 30 GFEDLO COC(=O)[C@@H](NCc1c[nH+]c2ccc(C#N)cn12)c1ccc(Br)cc1 ZINC000560258187 564955214 /nfs/dbraw/zinc/95/52/14/564955214.db2.gz UFRYWUHYFGUBGI-KRWDZBQOSA-N 1 2 399.248 2.972 20 30 GFEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cnn(-c3ccc(Br)cc3)c2)C1=O ZINC000467509589 564965817 /nfs/dbraw/zinc/96/58/17/564965817.db2.gz BYASUUUWZJQMFK-QGZVFWFLSA-N 1 2 389.297 2.854 20 30 GFEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cnn(-c3ccc(Br)cc3)c2)C1=O ZINC000467509589 564965820 /nfs/dbraw/zinc/96/58/20/564965820.db2.gz BYASUUUWZJQMFK-QGZVFWFLSA-N 1 2 389.297 2.854 20 30 GFEDLO C=CCCn1cc(CNCc2cn3cc(Br)cc(C)c3[nH+]2)nn1 ZINC000657434537 565101867 /nfs/dbraw/zinc/10/18/67/565101867.db2.gz ILSOREXGQMKFFO-UHFFFAOYSA-N 1 2 375.274 2.863 20 30 GFEDLO C[C@@H](c1ncc(Br)cn1)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000588197871 565130787 /nfs/dbraw/zinc/13/07/87/565130787.db2.gz YHDJNZIYNURXEF-AWEZNQCLSA-N 1 2 386.297 2.990 20 30 GFEDLO N#Cc1c(Br)cccc1NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000589572658 565166975 /nfs/dbraw/zinc/16/69/75/565166975.db2.gz JUYQAMAIHDXPOA-UHFFFAOYSA-N 1 2 391.313 2.677 20 30 GFEDLO N#Cc1cc(Br)ccc1CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000593394626 565328743 /nfs/dbraw/zinc/32/87/43/565328743.db2.gz QOFJNHSJBQHESJ-UHFFFAOYSA-N 1 2 388.265 2.801 20 30 GFEDLO N#Cc1sccc1S(=O)(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000593588322 565345332 /nfs/dbraw/zinc/34/53/32/565345332.db2.gz KSNCOPWLTOJNNQ-UHFFFAOYSA-N 1 2 381.910 2.610 20 30 GFEDLO N#Cc1sccc1S(=O)(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000593588322 565345338 /nfs/dbraw/zinc/34/53/38/565345338.db2.gz KSNCOPWLTOJNNQ-UHFFFAOYSA-N 1 2 381.910 2.610 20 30 GFEDLO N#Cc1ccc(S(=O)(=O)NC[C@@H]2CC[N@@H+]2Cc2ccccc2)cc1Cl ZINC000595395771 565472911 /nfs/dbraw/zinc/47/29/11/565472911.db2.gz NTVUFTWCVKNIHY-INIZCTEOSA-N 1 2 375.881 2.764 20 30 GFEDLO N#Cc1ccc(S(=O)(=O)NC[C@@H]2CC[N@H+]2Cc2ccccc2)cc1Cl ZINC000595395771 565472915 /nfs/dbraw/zinc/47/29/15/565472915.db2.gz NTVUFTWCVKNIHY-INIZCTEOSA-N 1 2 375.881 2.764 20 30 GFEDLO N#Cc1ccc(S(=O)(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)cc1Cl ZINC000603660352 565912905 /nfs/dbraw/zinc/91/29/05/565912905.db2.gz QBZDLSRQHJMBJF-MRXNPFEDSA-N 1 2 379.869 2.920 20 30 GFEDLO C[C@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC[S@@]1=O ZINC000610081548 566065000 /nfs/dbraw/zinc/06/50/00/566065000.db2.gz FSEKNJUFWUSGQH-CANCMXDXSA-N 1 2 379.551 2.670 20 30 GFEDLO C[C@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC[S@@]1=O ZINC000610081548 566065004 /nfs/dbraw/zinc/06/50/04/566065004.db2.gz FSEKNJUFWUSGQH-CANCMXDXSA-N 1 2 379.551 2.670 20 30 GFEDLO C[C@H](O)CNc1[nH+]c2ccccc2n1Cc1ccc(C#N)cc1Br ZINC000611495130 566132818 /nfs/dbraw/zinc/13/28/18/566132818.db2.gz CRISPHCKLYASFA-LBPRGKRZSA-N 1 2 385.265 2.933 20 30 GFEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1ccc(Br)cc1O ZINC000824926301 660405533 /nfs/dbraw/zinc/40/55/33/660405533.db2.gz FBCKWKQFGUQAKX-LBPRGKRZSA-N 1 2 388.269 2.527 20 30 GFEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1ccc(Br)cc1O ZINC000824926301 660405536 /nfs/dbraw/zinc/40/55/36/660405536.db2.gz FBCKWKQFGUQAKX-LBPRGKRZSA-N 1 2 388.269 2.527 20 30 GFEDLO C#C[C@@H](NC(=O)NCC[N@@H+]1CCOC(C)(C)C1)c1ccc(Br)cc1 ZINC000836349401 660901091 /nfs/dbraw/zinc/90/10/91/660901091.db2.gz IWYQOHZAIPTGIK-MRXNPFEDSA-N 1 2 394.313 2.533 20 30 GFEDLO C#C[C@@H](NC(=O)NCC[N@H+]1CCOC(C)(C)C1)c1ccc(Br)cc1 ZINC000836349401 660901094 /nfs/dbraw/zinc/90/10/94/660901094.db2.gz IWYQOHZAIPTGIK-MRXNPFEDSA-N 1 2 394.313 2.533 20 30 GFEDLO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000265647512 655488006 /nfs/dbraw/zinc/48/80/06/655488006.db2.gz UGFHWMVMPJVYPC-DSGZJRDPSA-N 1 2 379.551 2.668 20 30 GFEDLO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000265647512 655488007 /nfs/dbraw/zinc/48/80/07/655488007.db2.gz UGFHWMVMPJVYPC-DSGZJRDPSA-N 1 2 379.551 2.668 20 30 GFEDLO C[N@H+](Cc1cc(Cl)ccc1OCC#N)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000735311194 655644554 /nfs/dbraw/zinc/64/45/54/655644554.db2.gz MAVIRFLEQBQAFZ-CYBMUJFWSA-N 1 2 375.778 2.837 20 30 GFEDLO C[N@@H+](Cc1cc(Cl)ccc1OCC#N)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000735311194 655644557 /nfs/dbraw/zinc/64/45/57/655644557.db2.gz MAVIRFLEQBQAFZ-CYBMUJFWSA-N 1 2 375.778 2.837 20 30 GFEDLO C=C(Br)C[N@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(C)cc2)C1 ZINC000749149804 655801028 /nfs/dbraw/zinc/80/10/28/655801028.db2.gz AURBEVGQDRGRQJ-OAHLLOKOSA-N 1 2 387.343 2.894 20 30 GFEDLO C=C(Br)C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(C)cc2)C1 ZINC000749149804 655801031 /nfs/dbraw/zinc/80/10/31/655801031.db2.gz AURBEVGQDRGRQJ-OAHLLOKOSA-N 1 2 387.343 2.894 20 30 GFEDLO O=C1Nc2c(cc(Cl)cc2Br)C1=NNC1=[NH+][C@@H]2CCCC[C@@H]2N1 ZINC000753932919 655861057 /nfs/dbraw/zinc/86/10/57/655861057.db2.gz BMCOJMNCDHEDTD-PHIMTYICSA-N 1 2 396.676 2.619 20 30 GFEDLO Cc1cccc(CNC(=O)CO[NH+]=C(N)c2ccc(Br)cc2)c1 ZINC000782948945 657195993 /nfs/dbraw/zinc/19/59/93/657195993.db2.gz OCQCAAZSMBUPHT-UHFFFAOYSA-N 1 2 376.254 2.711 20 30 GFEDLO CC(=O)c1ccc(NC(=O)CO[NH+]=C(N)c2ccc(Br)cc2)cc1 ZINC000782949163 657196144 /nfs/dbraw/zinc/19/61/44/657196144.db2.gz QNBCXOLTAMCRMI-UHFFFAOYSA-N 1 2 390.237 2.927 20 30 GFEDLO C#Cc1cncc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Br)c2)c1 ZINC000807362489 659852399 /nfs/dbraw/zinc/85/23/99/659852399.db2.gz MPPWHOJWBMOOOZ-UHFFFAOYSA-N 1 2 399.292 2.830 20 30 GFEDLO N#Cc1cccc(OC2CC[NH+](C[C@@H](O)c3cc(Br)no3)CC2)c1 ZINC000878056685 662889054 /nfs/dbraw/zinc/88/90/54/662889054.db2.gz UATAIQYKBPYEOG-OAHLLOKOSA-N 1 2 392.253 2.886 20 30 GFEDLO C[N@@H+]1CCC[C@@H]1c1cc(C(=O)N[C@H](C#N)c2cccc(Br)c2)[nH]n1 ZINC000900464899 663715036 /nfs/dbraw/zinc/71/50/36/663715036.db2.gz TZXARPKNKBGARN-HZPDHXFCSA-N 1 2 388.269 2.934 20 30 GFEDLO C[N@H+]1CCC[C@@H]1c1cc(C(=O)N[C@H](C#N)c2cccc(Br)c2)[nH]n1 ZINC000900464899 663715037 /nfs/dbraw/zinc/71/50/37/663715037.db2.gz TZXARPKNKBGARN-HZPDHXFCSA-N 1 2 388.269 2.934 20 30 GFEDLO Nc1ccc(C[NH+]2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)nn1 ZINC000904429059 663833846 /nfs/dbraw/zinc/83/38/46/663833846.db2.gz VYCUMFBJSQRURM-HTQZYQBOSA-N 1 2 376.251 2.662 20 30 GFEDLO C[C@@H](c1ccsc1)[NH+]1CCN(S(=O)(=O)Cc2cccc(C#N)c2)CC1 ZINC000183842286 552321029 /nfs/dbraw/zinc/32/10/29/552321029.db2.gz OMTYICQFWDIGEW-HNNXBMFYSA-N 1 2 375.519 2.828 20 30 GFEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)C(=O)Nc2ccc(C)cc2Br)C1=O ZINC000281273906 563372001 /nfs/dbraw/zinc/37/20/01/563372001.db2.gz IEXAYKYSXAVEOU-CZUORRHYSA-N 1 2 394.313 2.803 20 30 GFEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](C)C(=O)Nc2ccc(C)cc2Br)C1=O ZINC000281273906 563372002 /nfs/dbraw/zinc/37/20/02/563372002.db2.gz IEXAYKYSXAVEOU-CZUORRHYSA-N 1 2 394.313 2.803 20 30 GFEDLO COC(=O)c1cnc([C@H](C)[NH2+]CC(=O)Nc2ccc(C#N)c(Cl)c2)s1 ZINC000425488307 563424614 /nfs/dbraw/zinc/42/46/14/563424614.db2.gz MPPLPLKRAUNZMW-VIFPVBQESA-N 1 2 378.841 2.744 20 30 GFEDLO N#Cc1c(Br)cccc1S(=O)(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000376316180 563437214 /nfs/dbraw/zinc/43/72/14/563437214.db2.gz JPMHMGQJURXCDE-LBPRGKRZSA-N 1 2 381.255 2.570 20 30 GFEDLO Cc1nc(C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)c(Br)s1 ZINC000330657321 563516346 /nfs/dbraw/zinc/51/63/46/563516346.db2.gz VTXVUMQZJFRCBC-NSHDSACASA-N 1 2 376.320 2.875 20 30 GFEDLO Cc1sc(NC(=O)C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](CO)C2)c(C#N)c1C ZINC000286369663 563557783 /nfs/dbraw/zinc/55/77/83/563557783.db2.gz GFBLZWFRTDAHGD-AAEUAGOBSA-N 1 2 375.416 2.668 20 30 GFEDLO Cc1sc(NC(=O)C[N@H+]2CC[C@H](C(F)(F)F)[C@H](CO)C2)c(C#N)c1C ZINC000286369663 563557786 /nfs/dbraw/zinc/55/77/86/563557786.db2.gz GFBLZWFRTDAHGD-AAEUAGOBSA-N 1 2 375.416 2.668 20 30 GFEDLO C=CCNC(=O)C[NH+]1CCN(Cc2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC000437590952 563696577 /nfs/dbraw/zinc/69/65/77/563696577.db2.gz NPTPXYOZWMMQOK-UHFFFAOYSA-N 1 2 375.822 2.779 20 30 GFEDLO C[N@H+](CCC#N)C[C@H](O)CSc1nnc(-c2ccccc2Br)o1 ZINC000414104302 563719474 /nfs/dbraw/zinc/71/94/74/563719474.db2.gz YPYWKMOLMDCDED-NSHDSACASA-N 1 2 397.298 2.798 20 30 GFEDLO C[N@@H+](CCC#N)C[C@H](O)CSc1nnc(-c2ccccc2Br)o1 ZINC000414104302 563719476 /nfs/dbraw/zinc/71/94/76/563719476.db2.gz YPYWKMOLMDCDED-NSHDSACASA-N 1 2 397.298 2.798 20 30 GFEDLO C[N@H+](CCC#N)C[C@@H](O)CSc1nnc(-c2cccc(Br)c2)o1 ZINC000414102119 563719492 /nfs/dbraw/zinc/71/94/92/563719492.db2.gz USYWSGJHCNDGBQ-CYBMUJFWSA-N 1 2 397.298 2.798 20 30 GFEDLO C[N@@H+](CCC#N)C[C@@H](O)CSc1nnc(-c2cccc(Br)c2)o1 ZINC000414102119 563719494 /nfs/dbraw/zinc/71/94/94/563719494.db2.gz USYWSGJHCNDGBQ-CYBMUJFWSA-N 1 2 397.298 2.798 20 30 GFEDLO Cc1ccc(S(=O)(=O)NCC[N@@H+](C)CC#Cc2ccccc2Cl)cc1 ZINC000441174877 563756233 /nfs/dbraw/zinc/75/62/33/563756233.db2.gz WZTSNKZEDKUQSK-UHFFFAOYSA-N 1 2 376.909 2.910 20 30 GFEDLO Cc1ccc(S(=O)(=O)NCC[N@H+](C)CC#Cc2ccccc2Cl)cc1 ZINC000441174877 563756235 /nfs/dbraw/zinc/75/62/35/563756235.db2.gz WZTSNKZEDKUQSK-UHFFFAOYSA-N 1 2 376.909 2.910 20 30 GFEDLO C#CC[N@H+](C[C@H]1CCS(=O)(=O)C1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000365001375 563771108 /nfs/dbraw/zinc/77/11/08/563771108.db2.gz MVRWFBMDIPVNJG-CZUORRHYSA-N 1 2 398.322 2.643 20 30 GFEDLO C#CC[N@@H+](C[C@H]1CCS(=O)(=O)C1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000365001375 563771111 /nfs/dbraw/zinc/77/11/11/563771111.db2.gz MVRWFBMDIPVNJG-CZUORRHYSA-N 1 2 398.322 2.643 20 30 GFEDLO Cn1cc[nH+]c1C[C@H]1CCCN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)C1 ZINC000366207812 563801097 /nfs/dbraw/zinc/80/10/97/563801097.db2.gz DEESOUZYNNBRHF-CYBMUJFWSA-N 1 2 378.885 2.589 20 30 GFEDLO C=CCN=c1[nH]cc(C(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)s1 ZINC000443672644 563809731 /nfs/dbraw/zinc/80/97/31/563809731.db2.gz GRFOWILDKADYBP-UHFFFAOYSA-N 1 2 376.913 2.604 20 30 GFEDLO C=CCN=c1[nH]cc(C(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)s1 ZINC000443672644 563809734 /nfs/dbraw/zinc/80/97/34/563809734.db2.gz GRFOWILDKADYBP-UHFFFAOYSA-N 1 2 376.913 2.604 20 30 GFEDLO C[C@@H](C#N)S(=O)(=O)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000416368616 563818274 /nfs/dbraw/zinc/81/82/74/563818274.db2.gz GXPIBVQUUOMIAG-WMLDXEAASA-N 1 2 375.519 2.679 20 30 GFEDLO C[C@@H](C#N)S(=O)(=O)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000416368616 563818275 /nfs/dbraw/zinc/81/82/75/563818275.db2.gz GXPIBVQUUOMIAG-WMLDXEAASA-N 1 2 375.519 2.679 20 30 GFEDLO N#CCSCC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000563829118 564209054 /nfs/dbraw/zinc/20/90/54/564209054.db2.gz WHNMXIOJDBMVLL-UHFFFAOYSA-N 1 2 383.271 2.524 20 30 GFEDLO N#Cc1c(Br)cccc1OCC(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000450368300 564229906 /nfs/dbraw/zinc/22/99/06/564229906.db2.gz GAUKYZBTYBVOIR-ZDUSSCGKSA-N 1 2 375.226 2.786 20 30 GFEDLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)c1cccc(C#N)c1Br ZINC000451283132 564296139 /nfs/dbraw/zinc/29/61/39/564296139.db2.gz GVZWUVFWBFNJIB-UHFFFAOYSA-N 1 2 380.286 2.504 20 30 GFEDLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)c1cccc(C#N)c1Br ZINC000451283132 564296142 /nfs/dbraw/zinc/29/61/42/564296142.db2.gz GVZWUVFWBFNJIB-UHFFFAOYSA-N 1 2 380.286 2.504 20 30 GFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@@H]1C[C@]12CCc1cc(Br)ccc12 ZINC000566917200 564349512 /nfs/dbraw/zinc/34/95/12/564349512.db2.gz AGXCKJIMSZUOBP-SZMVWBNQSA-N 1 2 376.298 2.613 20 30 GFEDLO CCn1cc[nH+]c1[C@H](C)NS(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000451928843 564368399 /nfs/dbraw/zinc/36/83/99/564368399.db2.gz MZNWDJZQDPEMDD-JTQLQIEISA-N 1 2 383.271 2.577 20 30 GFEDLO N#Cc1cccc(N2CC[NH+](CCOc3ccccc3Br)CC2)n1 ZINC000545506220 564426510 /nfs/dbraw/zinc/42/65/10/564426510.db2.gz QJIJYJPYZKGIJD-UHFFFAOYSA-N 1 2 387.281 2.917 20 30 GFEDLO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H](CO)c2c(Cl)cccc2Cl)cc1 ZINC000483229370 564560461 /nfs/dbraw/zinc/56/04/61/564560461.db2.gz KQUWIYARUBEVTH-INIZCTEOSA-N 1 2 399.299 2.962 20 30 GFEDLO C=CCNC(=O)NC(=O)C[N@H+](Cc1cc(Br)ccc1F)C(C)C ZINC000521822576 564636444 /nfs/dbraw/zinc/63/64/44/564636444.db2.gz WNEZAXDNEBIIKF-UHFFFAOYSA-N 1 2 386.265 2.810 20 30 GFEDLO C=CCNC(=O)NC(=O)C[N@@H+](Cc1cc(Br)ccc1F)C(C)C ZINC000521822576 564636447 /nfs/dbraw/zinc/63/64/47/564636447.db2.gz WNEZAXDNEBIIKF-UHFFFAOYSA-N 1 2 386.265 2.810 20 30 GFEDLO C=CCCO[C@@H](C)C(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000456983354 564642224 /nfs/dbraw/zinc/64/22/24/564642224.db2.gz PPJPOYIAJBRKCY-LBPRGKRZSA-N 1 2 384.274 2.600 20 30 GFEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)C1=O ZINC000499994257 564942441 /nfs/dbraw/zinc/94/24/41/564942441.db2.gz FFPRMFWJVJBWFY-MRXNPFEDSA-N 1 2 384.307 2.671 20 30 GFEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)C1=O ZINC000499994257 564942443 /nfs/dbraw/zinc/94/24/43/564942443.db2.gz FFPRMFWJVJBWFY-MRXNPFEDSA-N 1 2 384.307 2.671 20 30 GFEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[NH+]1CCN(c2cccc(Br)c2)CC1 ZINC000560170157 564952294 /nfs/dbraw/zinc/95/22/94/564952294.db2.gz OEHUOMIFJXRPAM-AWEZNQCLSA-N 1 2 391.313 2.522 20 30 GFEDLO Cc1cc(Br)cn2cc(CNC(=O)N3CC[C@](F)(C#N)C3)[nH+]c12 ZINC000615605439 565167508 /nfs/dbraw/zinc/16/75/08/565167508.db2.gz UGNBLSWDSVEELQ-HNNXBMFYSA-N 1 2 380.221 2.552 20 30 GFEDLO N#Cc1ccc(S(=O)(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc1Br ZINC000618991314 565323953 /nfs/dbraw/zinc/32/39/53/565323953.db2.gz LEXOOYFNIULDOV-ZDUSSCGKSA-N 1 2 395.282 2.543 20 30 GFEDLO CC#CC[NH2+]Cc1cn(CC(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)nn1 ZINC000640846896 565331164 /nfs/dbraw/zinc/33/11/64/565331164.db2.gz AGQNWXNLKKVRQW-LBPRGKRZSA-N 1 2 380.279 2.575 20 30 GFEDLO N#Cc1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CC[N@@H+]2Cc2ccccc2)c1 ZINC000595393185 565473113 /nfs/dbraw/zinc/47/31/13/565473113.db2.gz OOEAUEJTKOPJBM-INIZCTEOSA-N 1 2 375.881 2.764 20 30 GFEDLO N#Cc1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CC[N@H+]2Cc2ccccc2)c1 ZINC000595393185 565473117 /nfs/dbraw/zinc/47/31/17/565473117.db2.gz OOEAUEJTKOPJBM-INIZCTEOSA-N 1 2 375.881 2.764 20 30 GFEDLO CN(CCOc1ccc(Br)cc1)C(=O)C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595833553 565494105 /nfs/dbraw/zinc/49/41/05/565494105.db2.gz DIZYTIXPLKZVKB-KRWDZBQOSA-N 1 2 380.286 2.522 20 30 GFEDLO CN(CCOc1ccc(Br)cc1)C(=O)C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595833553 565494110 /nfs/dbraw/zinc/49/41/10/565494110.db2.gz DIZYTIXPLKZVKB-KRWDZBQOSA-N 1 2 380.286 2.522 20 30 GFEDLO CC(=O)NCC[N@H+](Cc1ccc(Br)s1)Cc1cccc(C#N)n1 ZINC000602656521 565860653 /nfs/dbraw/zinc/86/06/53/565860653.db2.gz BMHCHDZHODUEDG-UHFFFAOYSA-N 1 2 393.310 2.916 20 30 GFEDLO CC(=O)NCC[N@@H+](Cc1ccc(Br)s1)Cc1cccc(C#N)n1 ZINC000602656521 565860656 /nfs/dbraw/zinc/86/06/56/565860656.db2.gz BMHCHDZHODUEDG-UHFFFAOYSA-N 1 2 393.310 2.916 20 30 GFEDLO N#Cc1ccc(C[NH+]2CCN(c3cccc(C#N)n3)CC2)c(Br)c1 ZINC000612831634 566176824 /nfs/dbraw/zinc/17/68/24/566176824.db2.gz NBMFSDCBXDVWRR-UHFFFAOYSA-N 1 2 382.265 2.910 20 30 GFEDLO N#Cc1ccc(C[N@H+](Cc2nnc(-c3ccc(-c4nn[nH]n4)cc3)o2)C2CC2)cc1 ZINC000822825466 599568278 /nfs/dbraw/zinc/56/82/78/599568278.db2.gz GZFGOODHSLISQX-UHFFFAOYSA-N 1 2 398.430 2.953 20 30 GFEDLO N#Cc1ccc(C[N@@H+](Cc2nnc(-c3ccc(-c4nn[nH]n4)cc3)o2)C2CC2)cc1 ZINC000822825466 599568281 /nfs/dbraw/zinc/56/82/81/599568281.db2.gz GZFGOODHSLISQX-UHFFFAOYSA-N 1 2 398.430 2.953 20 30 GFEDLO N#Cc1ccc(F)cc1C[NH+]1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000822829868 607064652 /nfs/dbraw/zinc/06/46/52/607064652.db2.gz MVXBDQQTLGXUHM-UHFFFAOYSA-N 1 2 378.411 2.921 20 30 GFEDLO C#C[C@@H](NC(=O)NCC[N@H+]1CCOCC1(C)C)c1ccc(Br)cc1 ZINC000836316647 660899538 /nfs/dbraw/zinc/89/95/38/660899538.db2.gz SZBCBOXYZJBGKJ-MRXNPFEDSA-N 1 2 394.313 2.533 20 30 GFEDLO C#C[C@@H](NC(=O)NCC[N@@H+]1CCOCC1(C)C)c1ccc(Br)cc1 ZINC000836316647 660899539 /nfs/dbraw/zinc/89/95/39/660899539.db2.gz SZBCBOXYZJBGKJ-MRXNPFEDSA-N 1 2 394.313 2.533 20 30 GFEDLO Cc1cc(Br)cn2cc(CCNC(=O)NCCCCC#N)[nH+]c12 ZINC000273425993 655142954 /nfs/dbraw/zinc/14/29/54/655142954.db2.gz STBCDNZHFSFMLW-UHFFFAOYSA-N 1 2 378.274 2.941 20 30 GFEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1CCSC2(CCOCC2)C1 ZINC000274572551 655193543 /nfs/dbraw/zinc/19/35/43/655193543.db2.gz ZJKAIPQLHNVFOF-UHFFFAOYSA-N 1 2 377.535 2.839 20 30 GFEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1CCSC2(CCOCC2)C1 ZINC000274572551 655193547 /nfs/dbraw/zinc/19/35/47/655193547.db2.gz ZJKAIPQLHNVFOF-UHFFFAOYSA-N 1 2 377.535 2.839 20 30 GFEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cccc(Br)c1O ZINC000180588203 655328482 /nfs/dbraw/zinc/32/84/82/655328482.db2.gz KMCJHLSODOLVNA-GFCCVEGCSA-N 1 2 388.269 2.527 20 30 GFEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cccc(Br)c1O ZINC000180588203 655328484 /nfs/dbraw/zinc/32/84/84/655328484.db2.gz KMCJHLSODOLVNA-GFCCVEGCSA-N 1 2 388.269 2.527 20 30 GFEDLO N#Cc1ccc(S(=O)(=O)CC[NH2+]Cc2nc3cc(Cl)ccc3s2)nc1 ZINC000578047061 655471877 /nfs/dbraw/zinc/47/18/77/655471877.db2.gz WUYZUCJNEDQOGU-UHFFFAOYSA-N 1 2 392.893 2.780 20 30 GFEDLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000265647519 655488049 /nfs/dbraw/zinc/48/80/49/655488049.db2.gz UGFHWMVMPJVYPC-OCDDVZBJSA-N 1 2 379.551 2.668 20 30 GFEDLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000265647519 655488051 /nfs/dbraw/zinc/48/80/51/655488051.db2.gz UGFHWMVMPJVYPC-OCDDVZBJSA-N 1 2 379.551 2.668 20 30 GFEDLO C#CCSCCNC(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000754209083 655865045 /nfs/dbraw/zinc/86/50/45/655865045.db2.gz OFKIUYVLCWRVCE-UHFFFAOYSA-N 1 2 395.326 2.613 20 30 GFEDLO C[NH+]1CCN(c2ccc(NC(=O)c3ccc(C#N)o3)cc2Br)CC1 ZINC000794448332 658546208 /nfs/dbraw/zinc/54/62/08/658546208.db2.gz HWAIGDLWUQCCFN-UHFFFAOYSA-N 1 2 389.253 2.918 20 30 GFEDLO Cc1cc(Cl)c2ncc(C#N)c(N3CC[NH+](CC[S@@](C)=O)CC3)c2c1 ZINC000801669615 659410234 /nfs/dbraw/zinc/41/02/34/659410234.db2.gz DPHJXANDYHHUQU-RUZDIDTESA-N 1 2 376.913 2.569 20 30 GFEDLO C#CC[NH+]1CCC(C(=O)Nc2cccc(Cl)c2S(=O)(=O)C(C)C)CC1 ZINC000847025168 661573619 /nfs/dbraw/zinc/57/36/19/661573619.db2.gz HXTSBGBYSVVAIM-UHFFFAOYSA-N 1 2 382.913 2.806 20 30 GFEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CSCc2ccc(Br)cc21 ZINC000855734788 662005649 /nfs/dbraw/zinc/00/56/49/662005649.db2.gz FCTCKUNBSCOFNA-CVEARBPZSA-N 1 2 379.323 2.951 20 30 GFEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CSCc2ccc(Br)cc21 ZINC000855734788 662005653 /nfs/dbraw/zinc/00/56/53/662005653.db2.gz FCTCKUNBSCOFNA-CVEARBPZSA-N 1 2 379.323 2.951 20 30 GFEDLO N#Cc1nc(NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)ccc1Br ZINC000883084668 663048276 /nfs/dbraw/zinc/04/82/76/663048276.db2.gz YQZYSZGLACRTSA-UHFFFAOYSA-N 1 2 375.230 2.850 20 30 GFEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC[C@](CO)(C(F)(F)F)C1 ZINC000886802910 663119290 /nfs/dbraw/zinc/11/92/90/663119290.db2.gz AXPHFTUXHRXJCI-BMIGLBTASA-N 1 2 375.778 2.785 20 30 GFEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@](CO)(C(F)(F)F)C1 ZINC000886802910 663119291 /nfs/dbraw/zinc/11/92/91/663119291.db2.gz AXPHFTUXHRXJCI-BMIGLBTASA-N 1 2 375.778 2.785 20 30 GFEDLO C#C[C@@H]([NH2+]Cc1nc(Br)c(Br)n1CC)[C@H]1CCCO1 ZINC000922013459 664581230 /nfs/dbraw/zinc/58/12/30/664581230.db2.gz ZNTAEABTVSVELU-NXEZZACHSA-N 1 2 391.107 2.698 20 30 GFEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)cc1 ZINC000931913822 664807265 /nfs/dbraw/zinc/80/72/65/664807265.db2.gz IGRRCJGMSAMZKC-AWEZNQCLSA-N 1 2 376.375 2.698 20 30 GFEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)cc1 ZINC000931913822 664807266 /nfs/dbraw/zinc/80/72/66/664807266.db2.gz IGRRCJGMSAMZKC-AWEZNQCLSA-N 1 2 376.375 2.698 20 30 GFEDLO N#Cc1ccc(NC(=O)C[NH+]2CCC([C@H](O)C(F)(F)F)CC2)cc1Cl ZINC000141021112 551393856 /nfs/dbraw/zinc/39/38/56/551393856.db2.gz QVFQONGCKWTCBN-HNNXBMFYSA-N 1 2 375.778 2.785 20 30 GFEDLO C[NH+](C)Cc1ccnc(NS(=O)(=O)c2cc(Br)cc(C#N)c2)c1 ZINC000154022790 551465707 /nfs/dbraw/zinc/46/57/07/551465707.db2.gz BUXBVJNXIDMYEN-UHFFFAOYSA-N 1 2 395.282 2.578 20 30 GFEDLO N#Cc1cc(Cl)ccc1S(=O)(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000156335783 551520685 /nfs/dbraw/zinc/52/06/85/551520685.db2.gz YWJUSKFIZMCDPI-UHFFFAOYSA-N 1 2 376.869 2.685 20 30 GFEDLO Cc1cc(C[NH+]2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c(C)s1 ZINC000194362799 553018716 /nfs/dbraw/zinc/01/87/16/553018716.db2.gz ZKKTZCWWMCUDEK-UHFFFAOYSA-N 1 2 375.519 2.743 20 30 GFEDLO C[C@@H]1CC[S@](=O)CC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000375933152 563424151 /nfs/dbraw/zinc/42/41/51/563424151.db2.gz NYYOWHMBLUAARM-SHZVTRLKSA-N 1 2 379.551 2.670 20 30 GFEDLO C[C@@H]1CC[S@](=O)CC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000375933152 563424154 /nfs/dbraw/zinc/42/41/54/563424154.db2.gz NYYOWHMBLUAARM-SHZVTRLKSA-N 1 2 379.551 2.670 20 30 GFEDLO C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000328665132 563462299 /nfs/dbraw/zinc/46/22/99/563462299.db2.gz BZZMEYYJFQBXNF-CHWSQXEVSA-N 1 2 386.279 2.633 20 30 GFEDLO C[N@H+]1CCO[C@H](CNC(=O)[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000328665132 563462302 /nfs/dbraw/zinc/46/23/02/563462302.db2.gz BZZMEYYJFQBXNF-CHWSQXEVSA-N 1 2 386.279 2.633 20 30 GFEDLO C[C@H](C(=O)N1CSC[C@H]1C(=O)Nc1cccc(F)c1)[NH+]1CCSCC1 ZINC000329382608 563478976 /nfs/dbraw/zinc/47/89/76/563478976.db2.gz OFLTYNBKLCQBPM-DOMZBBRYSA-N 1 2 383.514 2.753 20 30 GFEDLO Cc1cc(Br)cn2cc(CNC(=O)N3C[C@@H]4CC[C@H](O)[C@@H]4C3)[nH+]c12 ZINC000329493717 563481219 /nfs/dbraw/zinc/48/12/19/563481219.db2.gz FAOUSCRSLNWBTD-GLQYFDAESA-N 1 2 393.285 2.522 20 30 GFEDLO Cc1ccsc1-c1nc(=NC(=O)NC[C@]2([NH+](C)C)CCSC2)s[nH]1 ZINC000329949424 563492477 /nfs/dbraw/zinc/49/24/77/563492477.db2.gz ZZTQTIAXNXITLI-OAHLLOKOSA-N 1 2 383.568 2.760 20 30 GFEDLO COc1ccc(NC(=O)NCC[N@@H+]2CCOCC2(C)C)c(Br)c1 ZINC000330515518 563509006 /nfs/dbraw/zinc/50/90/06/563509006.db2.gz LZOUCYTWTLRDNV-UHFFFAOYSA-N 1 2 386.290 2.894 20 30 GFEDLO COc1ccc(NC(=O)NCC[N@H+]2CCOCC2(C)C)c(Br)c1 ZINC000330515518 563509008 /nfs/dbraw/zinc/50/90/08/563509008.db2.gz LZOUCYTWTLRDNV-UHFFFAOYSA-N 1 2 386.290 2.894 20 30 GFEDLO C[C@@H]([NH2+][C@H](C)c1ncc(Br)cn1)C(=O)NC1(C#N)CCCCC1 ZINC000431078004 563552973 /nfs/dbraw/zinc/55/29/73/563552973.db2.gz RIVPWKLORNOPRT-VXGBXAGGSA-N 1 2 380.290 2.621 20 30 GFEDLO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000408434988 563555601 /nfs/dbraw/zinc/55/56/01/563555601.db2.gz UESWWYIWFYMAHD-WFASDCNBSA-N 1 2 398.326 2.568 20 30 GFEDLO C[C@H]1C[N@H+]2CCCC[C@H]2CN1S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000408434988 563555605 /nfs/dbraw/zinc/55/56/05/563555605.db2.gz UESWWYIWFYMAHD-WFASDCNBSA-N 1 2 398.326 2.568 20 30 GFEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000287350306 563597839 /nfs/dbraw/zinc/59/78/39/563597839.db2.gz XKLTYCDSYGMACC-SWLSCSKDSA-N 1 2 393.285 2.648 20 30 GFEDLO Cc1oc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ncc(Br)cn2)c(C#N)c1C ZINC000433008322 563600088 /nfs/dbraw/zinc/60/00/88/563600088.db2.gz OEFGNCYHMGPCHM-UWVGGRQHSA-N 1 2 392.257 2.998 20 30 GFEDLO N#Cc1ccsc1N1CC[C@@H]([NH2+][C@H](CO)c2cccc(Cl)c2F)C1=O ZINC000411669264 563628984 /nfs/dbraw/zinc/62/89/84/563628984.db2.gz JDVINTXJBBNLQV-ZIAGYGMSSA-N 1 2 379.844 2.841 20 30 GFEDLO N#Cc1c(NC(=O)C[N@H+]2CCSC[C@@H]2CCO)sc2c1CCCCC2 ZINC000333456493 563632832 /nfs/dbraw/zinc/63/28/32/563632832.db2.gz OOXWGRFJEKOSOO-ZDUSSCGKSA-N 1 2 379.551 2.627 20 30 GFEDLO N#Cc1c(NC(=O)C[N@@H+]2CCSC[C@@H]2CCO)sc2c1CCCCC2 ZINC000333456493 563632835 /nfs/dbraw/zinc/63/28/35/563632835.db2.gz OOXWGRFJEKOSOO-ZDUSSCGKSA-N 1 2 379.551 2.627 20 30 GFEDLO Cc1sc(NC(=O)C[N@H+](C)CCn2cc(Br)cn2)c(C#N)c1C ZINC000288895873 563660881 /nfs/dbraw/zinc/66/08/81/563660881.db2.gz SECHEXUOMYWVIT-UHFFFAOYSA-N 1 2 396.314 2.766 20 30 GFEDLO Cc1sc(NC(=O)C[N@@H+](C)CCn2cc(Br)cn2)c(C#N)c1C ZINC000288895873 563660884 /nfs/dbraw/zinc/66/08/84/563660884.db2.gz SECHEXUOMYWVIT-UHFFFAOYSA-N 1 2 396.314 2.766 20 30 GFEDLO Cc1cc(S(=O)(=O)NC[C@H](C)[N@@H+]2CCc3sccc3C2)ccc1C#N ZINC000443946496 563815622 /nfs/dbraw/zinc/81/56/22/563815622.db2.gz MQQWHSGAQBAICT-AWEZNQCLSA-N 1 2 375.519 2.653 20 30 GFEDLO Cc1cc(S(=O)(=O)NC[C@H](C)[N@H+]2CCc3sccc3C2)ccc1C#N ZINC000443946496 563815623 /nfs/dbraw/zinc/81/56/23/563815623.db2.gz MQQWHSGAQBAICT-AWEZNQCLSA-N 1 2 375.519 2.653 20 30 GFEDLO Cc1cnc([C@@H]2CCC[N@H+](CCS(=O)(=O)c3cccc(C#N)c3)C2)s1 ZINC000366795994 563820059 /nfs/dbraw/zinc/82/00/59/563820059.db2.gz IYSQAKKIWPWGCQ-MRXNPFEDSA-N 1 2 375.519 2.977 20 30 GFEDLO Cc1cnc([C@@H]2CCC[N@@H+](CCS(=O)(=O)c3cccc(C#N)c3)C2)s1 ZINC000366795994 563820061 /nfs/dbraw/zinc/82/00/61/563820061.db2.gz IYSQAKKIWPWGCQ-MRXNPFEDSA-N 1 2 375.519 2.977 20 30 GFEDLO Cc1nc(N2CCN(c3cc(Br)c(C#N)cc3F)CC2)cc[nH+]1 ZINC000563428174 564190343 /nfs/dbraw/zinc/19/03/43/564190343.db2.gz WMTUUCOPIWCPNU-UHFFFAOYSA-N 1 2 376.233 2.885 20 30 GFEDLO CCN1CCN(C(=O)c2ccc(Br)cc2C#N)C[C@@H]1c1[nH]cc[nH+]1 ZINC000451122879 564277897 /nfs/dbraw/zinc/27/78/97/564277897.db2.gz ATLNCZCQUJRLCY-OAHLLOKOSA-N 1 2 388.269 2.563 20 30 GFEDLO CC[NH+](CC)[C@H](CNS(=O)(=O)N(C)[C@@H](C)CC#N)c1ccccc1Cl ZINC000509428418 564298403 /nfs/dbraw/zinc/29/84/03/564298403.db2.gz DBHBIKOBGNAPPY-WMLDXEAASA-N 1 2 386.949 2.791 20 30 GFEDLO CC[NH+](CC)[C@@H](CNS(=O)(=O)N(C)[C@@H](C)CC#N)c1ccccc1Cl ZINC000509428419 564298537 /nfs/dbraw/zinc/29/85/37/564298537.db2.gz DBHBIKOBGNAPPY-YOEHRIQHSA-N 1 2 386.949 2.791 20 30 GFEDLO Cc1cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)c2ccc(Br)cc2n1 ZINC000566307803 564322061 /nfs/dbraw/zinc/32/20/61/564322061.db2.gz AGBFEJZMLKUOJG-KRWDZBQOSA-N 1 2 375.270 2.879 20 30 GFEDLO Cn1cc[nH+]c1[C@H](NC(=O)COc1cccc(Br)c1C#N)C1CC1 ZINC000451685583 564340401 /nfs/dbraw/zinc/34/04/01/564340401.db2.gz XPFUMZXMDVTUTD-MRXNPFEDSA-N 1 2 389.253 2.701 20 30 GFEDLO CC[C@@H]1C[N@H+](CC)CCN1S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000451939308 564370486 /nfs/dbraw/zinc/37/04/86/564370486.db2.gz ZQGTUDDTPIWNQL-CYBMUJFWSA-N 1 2 375.416 2.682 20 30 GFEDLO CC[C@@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000451939308 564370489 /nfs/dbraw/zinc/37/04/89/564370489.db2.gz ZQGTUDDTPIWNQL-CYBMUJFWSA-N 1 2 375.416 2.682 20 30 GFEDLO Cc1nn(C)c(N2CC[NH+](Cc3ccc(Br)s3)CC2)c1C#N ZINC000527065582 564729378 /nfs/dbraw/zinc/72/93/78/564729378.db2.gz ZFLXULNRKRIUBL-UHFFFAOYSA-N 1 2 380.315 2.746 20 30 GFEDLO Cc1cc(N2CC[C@H]([NH2+]C[C@@H](C#N)CCC#N)C2=O)ccc1Br ZINC000581641148 564812114 /nfs/dbraw/zinc/81/21/14/564812114.db2.gz JLMICDBNUUPZHF-CJNGLKHVSA-N 1 2 375.270 2.896 20 30 GFEDLO C=CCOc1c(Br)cc(C[N@H+]2CC[C@@H](NC(=O)NC)C2)cc1OC ZINC000468680631 564989946 /nfs/dbraw/zinc/98/99/46/564989946.db2.gz DWZRLUFMLYRGPQ-CYBMUJFWSA-N 1 2 398.301 2.526 20 30 GFEDLO C=CCOc1c(Br)cc(C[N@@H+]2CC[C@@H](NC(=O)NC)C2)cc1OC ZINC000468680631 564989949 /nfs/dbraw/zinc/98/99/49/564989949.db2.gz DWZRLUFMLYRGPQ-CYBMUJFWSA-N 1 2 398.301 2.526 20 30 GFEDLO COc1ccc(Br)c([C@H](CO)[N@H+](C)Cc2ccnc(C#N)c2)c1 ZINC000590755853 565201121 /nfs/dbraw/zinc/20/11/21/565201121.db2.gz SCXXDLFJCNATMU-KRWDZBQOSA-N 1 2 376.254 2.890 20 30 GFEDLO COc1ccc(Br)c([C@H](CO)[N@@H+](C)Cc2ccnc(C#N)c2)c1 ZINC000590755853 565201122 /nfs/dbraw/zinc/20/11/22/565201122.db2.gz SCXXDLFJCNATMU-KRWDZBQOSA-N 1 2 376.254 2.890 20 30 GFEDLO C=CCCn1cc(C[N@H+]2CC[C@@H](Oc3cncc(Br)c3)C2)nn1 ZINC000639775989 565260011 /nfs/dbraw/zinc/26/00/11/565260011.db2.gz IGRAQOKSFPYYQW-OAHLLOKOSA-N 1 2 378.274 2.665 20 30 GFEDLO C=CCCn1cc(C[N@@H+]2CC[C@@H](Oc3cncc(Br)c3)C2)nn1 ZINC000639775989 565260013 /nfs/dbraw/zinc/26/00/13/565260013.db2.gz IGRAQOKSFPYYQW-OAHLLOKOSA-N 1 2 378.274 2.665 20 30 GFEDLO CC#CC[NH2+]Cc1cn(CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)nn1 ZINC000640762013 565325179 /nfs/dbraw/zinc/32/51/79/565325179.db2.gz GVNPDBDDMUZOLV-UHFFFAOYSA-N 1 2 386.670 2.990 20 30 GFEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000619719279 565356347 /nfs/dbraw/zinc/35/63/47/565356347.db2.gz HRPLSCGJKNNDLF-HNNXBMFYSA-N 1 2 381.270 2.827 20 30 GFEDLO C=CCCn1cc(C[S@@](=O)Cc2cn3cc(Br)ccc3[nH+]2)nn1 ZINC000593935903 565368875 /nfs/dbraw/zinc/36/88/75/565368875.db2.gz KVPGYILWRHYIQP-QHCPKHFHSA-N 1 2 394.298 2.713 20 30 GFEDLO N#CC[C@@H]1CCC[N@@H+]([C@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)C1 ZINC000594661244 565404409 /nfs/dbraw/zinc/40/44/09/565404409.db2.gz XPMDOBMRAANJCC-WFASDCNBSA-N 1 2 376.254 2.707 20 30 GFEDLO N#CC[C@@H]1CCC[N@H+]([C@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)C1 ZINC000594661244 565404411 /nfs/dbraw/zinc/40/44/11/565404411.db2.gz XPMDOBMRAANJCC-WFASDCNBSA-N 1 2 376.254 2.707 20 30 GFEDLO N#CC[C@@H]1CCC[N@@H+]([C@@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)C1 ZINC000594661243 565404656 /nfs/dbraw/zinc/40/46/56/565404656.db2.gz XPMDOBMRAANJCC-SWLSCSKDSA-N 1 2 376.254 2.707 20 30 GFEDLO N#CC[C@@H]1CCC[N@H+]([C@@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)C1 ZINC000594661243 565404660 /nfs/dbraw/zinc/40/46/60/565404660.db2.gz XPMDOBMRAANJCC-SWLSCSKDSA-N 1 2 376.254 2.707 20 30 GFEDLO Cc1cc(N2CC[NH+]([C@H](C(=O)[O-])c3ccc(C#N)cc3)CC2)nc(C(C)C)[nH+]1 ZINC000738407152 600563046 /nfs/dbraw/zinc/56/30/46/600563046.db2.gz QYCNLQIPYYBARW-IBGZPJMESA-N 1 2 379.464 2.728 20 30 GFEDLO Cc1cc(N2CC[NH+]([C@@H](C(=O)[O-])c3ccc(C#N)cc3)CC2)nc(C(C)C)[nH+]1 ZINC000738407158 600563151 /nfs/dbraw/zinc/56/31/51/600563151.db2.gz QYCNLQIPYYBARW-LJQANCHMSA-N 1 2 379.464 2.728 20 30 GFEDLO Clc1cccc(C#CC[NH+]2CCN(c3ccccc3-c3nn[nH]n3)CC2)c1 ZINC000826353520 607525544 /nfs/dbraw/zinc/52/55/44/607525544.db2.gz SLCMSMBGJGTYLP-UHFFFAOYSA-N 1 2 378.867 2.694 20 30 GFEDLO C#CC[N@@H+](CC)CC(=O)Nc1c(-c2nn[nH]n2)c(C)c(C)n1C1CCCCC1 ZINC000819697707 606075476 /nfs/dbraw/zinc/07/54/76/606075476.db2.gz JSTRZRXXSVUNJF-UHFFFAOYSA-N 1 2 383.500 2.684 20 30 GFEDLO C#CC[N@H+](CC)CC(=O)Nc1c(-c2nn[nH]n2)c(C)c(C)n1C1CCCCC1 ZINC000819697707 606075480 /nfs/dbraw/zinc/07/54/80/606075480.db2.gz JSTRZRXXSVUNJF-UHFFFAOYSA-N 1 2 383.500 2.684 20 30 GFEDLO N#CCCC[C@H]([NH3+])c1nc(-c2n[nH]c(-c3cccc(Br)c3)n2)no1 ZINC000823184266 660364120 /nfs/dbraw/zinc/36/41/20/660364120.db2.gz CCKHQVPVECNBTB-NSHDSACASA-N 1 2 388.229 2.978 20 30 GFEDLO C[C@@H](C(=O)Nc1ccc(I)cc1)[NH+]1CCC(C#N)CC1 ZINC000057878430 654811284 /nfs/dbraw/zinc/81/12/84/654811284.db2.gz RYYAJRIITHQCJC-NSHDSACASA-N 1 2 383.233 2.854 20 30 GFEDLO CC(C)CSCCC[NH+]1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000131663893 654912666 /nfs/dbraw/zinc/91/26/66/654912666.db2.gz PZFFOLOJOBDMOE-UHFFFAOYSA-N 1 2 381.567 2.644 20 30 GFEDLO C=CCSCCNC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000132603358 654943235 /nfs/dbraw/zinc/94/32/35/654943235.db2.gz HRWAUXYSFJOTMN-IAGOWNOFSA-N 1 2 383.945 2.930 20 30 GFEDLO C=CCSCCNC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000132603358 654943239 /nfs/dbraw/zinc/94/32/39/654943239.db2.gz HRWAUXYSFJOTMN-IAGOWNOFSA-N 1 2 383.945 2.930 20 30 GFEDLO Clc1cccc(-n2cc(C=NNC3=[NH+][C@@H]4CCCC[C@H]4N3)nn2)c1Cl ZINC000755814646 655889304 /nfs/dbraw/zinc/88/93/04/655889304.db2.gz OPLRHLMHTKHRII-CHWSQXEVSA-N 1 2 378.267 2.768 20 30 GFEDLO O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000885284119 663088336 /nfs/dbraw/zinc/08/83/36/663088336.db2.gz RDFXRRDQONRWOR-HTQZYQBOSA-N 1 2 377.235 2.582 20 30 GFEDLO C=CCOC(=O)[C@@H]([NH3+])Cc1nc([C@H](C)c2ccc(Br)cc2)no1 ZINC000904106355 663824733 /nfs/dbraw/zinc/82/47/33/663824733.db2.gz VGEZQYVHBASASB-MFKMUULPSA-N 1 2 380.242 2.583 20 30 GFEDLO C=CC[N@@H+](CCc1nc(-c2ccc(Cl)cc2)no1)[C@H]1CCS(=O)(=O)C1 ZINC000158064088 551546960 /nfs/dbraw/zinc/54/69/60/551546960.db2.gz PZOQQAQFSUSODW-HNNXBMFYSA-N 1 2 381.885 2.608 20 30 GFEDLO C=CC[N@H+](CCc1nc(-c2ccc(Cl)cc2)no1)[C@H]1CCS(=O)(=O)C1 ZINC000158064088 551546963 /nfs/dbraw/zinc/54/69/63/551546963.db2.gz PZOQQAQFSUSODW-HNNXBMFYSA-N 1 2 381.885 2.608 20 30 GFEDLO N#Cc1ccc(N2CC[NH+](CCOc3ccccc3Br)CC2)nc1 ZINC000179589347 552197291 /nfs/dbraw/zinc/19/72/91/552197291.db2.gz OSBUWMCJZRWLSU-UHFFFAOYSA-N 1 2 387.281 2.917 20 30 GFEDLO N#CCC[N@@H+](CCCc1ccccc1Br)CCN1CCOCC1 ZINC000181943133 552271209 /nfs/dbraw/zinc/27/12/09/552271209.db2.gz NDLHKMLYPUVBDQ-UHFFFAOYSA-N 1 2 380.330 2.930 20 30 GFEDLO N#CCC[N@H+](CCCc1ccccc1Br)CCN1CCOCC1 ZINC000181943133 552271211 /nfs/dbraw/zinc/27/12/11/552271211.db2.gz NDLHKMLYPUVBDQ-UHFFFAOYSA-N 1 2 380.330 2.930 20 30 GFEDLO N#CCCN(CCCc1ccccc1Br)CC[NH+]1CCOCC1 ZINC000181943133 552271213 /nfs/dbraw/zinc/27/12/13/552271213.db2.gz NDLHKMLYPUVBDQ-UHFFFAOYSA-N 1 2 380.330 2.930 20 30 GFEDLO C=CC[N@@H+](CCOc1cc(F)cc(Br)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000189187966 552465749 /nfs/dbraw/zinc/46/57/49/552465749.db2.gz GJEYOASFZDPYFC-CQSZACIVSA-N 1 2 392.290 2.642 20 30 GFEDLO C=CC[N@H+](CCOc1cc(F)cc(Br)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000189187966 552465752 /nfs/dbraw/zinc/46/57/52/552465752.db2.gz GJEYOASFZDPYFC-CQSZACIVSA-N 1 2 392.290 2.642 20 30 GFEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)N=c3[nH]c4c(cccc4Br)s3)C[C@H]21 ZINC000329468651 563480847 /nfs/dbraw/zinc/48/08/47/563480847.db2.gz XMCDKFNXXWEOSP-GHMZBOCLSA-N 1 2 397.298 2.619 20 30 GFEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)N=c3[nH]c4c(cccc4Br)s3)C[C@H]21 ZINC000329468651 563480849 /nfs/dbraw/zinc/48/08/49/563480849.db2.gz XMCDKFNXXWEOSP-GHMZBOCLSA-N 1 2 397.298 2.619 20 30 GFEDLO Cc1cc(Br)cn2cc(CNC(=O)N3CCOCC4(CC4)C3)[nH+]c12 ZINC000329538830 563481995 /nfs/dbraw/zinc/48/19/95/563481995.db2.gz VSMKUWSYLUUSIY-UHFFFAOYSA-N 1 2 393.285 2.932 20 30 GFEDLO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)C[C@@H]1C ZINC000330374360 563502932 /nfs/dbraw/zinc/50/29/32/563502932.db2.gz MRMXGWVZAWCRLN-NWDGAFQWSA-N 1 2 375.416 2.680 20 30 GFEDLO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)C[C@@H]1C ZINC000330374360 563502935 /nfs/dbraw/zinc/50/29/35/563502935.db2.gz MRMXGWVZAWCRLN-NWDGAFQWSA-N 1 2 375.416 2.680 20 30 GFEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@H]3CCCO3)CC2)c(Br)c1 ZINC000378482700 563508523 /nfs/dbraw/zinc/50/85/23/563508523.db2.gz GVXYYHLIJXUYLT-QGZVFWFLSA-N 1 2 392.297 2.534 20 30 GFEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@H]3CCCO3)CC2)c(Br)c1 ZINC000378482700 563508525 /nfs/dbraw/zinc/50/85/25/563508525.db2.gz GVXYYHLIJXUYLT-QGZVFWFLSA-N 1 2 392.297 2.534 20 30 GFEDLO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)C[C@@H]1C ZINC000330536058 563509669 /nfs/dbraw/zinc/50/96/69/563509669.db2.gz FCPIDNWJJMEGDD-NWDGAFQWSA-N 1 2 375.416 2.680 20 30 GFEDLO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)C[C@@H]1C ZINC000330536058 563509671 /nfs/dbraw/zinc/50/96/71/563509671.db2.gz FCPIDNWJJMEGDD-NWDGAFQWSA-N 1 2 375.416 2.680 20 30 GFEDLO C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1S(=O)(=O)c1ccc(C#N)s1 ZINC000435441360 563651042 /nfs/dbraw/zinc/65/10/42/563651042.db2.gz BNVZIMAEKORNFO-GJZGRUSLSA-N 1 2 375.519 2.903 20 30 GFEDLO C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1S(=O)(=O)c1ccc(C#N)s1 ZINC000435441360 563651043 /nfs/dbraw/zinc/65/10/43/563651043.db2.gz BNVZIMAEKORNFO-GJZGRUSLSA-N 1 2 375.519 2.903 20 30 GFEDLO N#Cc1ccc(S(=O)(=O)NC2CCN(c3cccc[nH+]3)CC2)cc1Cl ZINC000363098030 563714249 /nfs/dbraw/zinc/71/42/49/563714249.db2.gz YCZNWDLLAHDKAS-UHFFFAOYSA-N 1 2 376.869 2.554 20 30 GFEDLO C[N@H+](CCC#N)C[C@@H](O)COc1ccc(OC(F)(F)F)c(Br)c1 ZINC000414128446 563720159 /nfs/dbraw/zinc/72/01/59/563720159.db2.gz SAAWAOHIHSAGPS-SNVBAGLBSA-N 1 2 397.191 2.933 20 30 GFEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1ccc(OC(F)(F)F)c(Br)c1 ZINC000414128446 563720161 /nfs/dbraw/zinc/72/01/61/563720161.db2.gz SAAWAOHIHSAGPS-SNVBAGLBSA-N 1 2 397.191 2.933 20 30 GFEDLO N#Cc1ccc(OCC(=O)N2CCC(n3cc[nH+]c3)CC2)cc1Br ZINC000449819610 564203882 /nfs/dbraw/zinc/20/38/82/564203882.db2.gz JCEUHWVOKSBJCE-UHFFFAOYSA-N 1 2 389.253 2.760 20 30 GFEDLO CC(C)[N@@H+]1CCc2nc(NS(=O)(=O)c3ccc(C#N)cc3F)sc2C1 ZINC000544081428 564374057 /nfs/dbraw/zinc/37/40/57/564374057.db2.gz SAAZVTKYAUTGCE-UHFFFAOYSA-N 1 2 380.470 2.721 20 30 GFEDLO CC(C)[N@H+]1CCc2nc(NS(=O)(=O)c3ccc(C#N)cc3F)sc2C1 ZINC000544081428 564374059 /nfs/dbraw/zinc/37/40/59/564374059.db2.gz SAAZVTKYAUTGCE-UHFFFAOYSA-N 1 2 380.470 2.721 20 30 GFEDLO Cc1ccc2c(ncc(C#N)c2NCC[NH+]2CCOCC2)c1Br ZINC000479865965 564452800 /nfs/dbraw/zinc/45/28/00/564452800.db2.gz XDRKFOUNGVUBGN-UHFFFAOYSA-N 1 2 375.270 2.922 20 30 GFEDLO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H](CO)c2c(Cl)cccc2Cl)cc1 ZINC000483229373 564561225 /nfs/dbraw/zinc/56/12/25/564561225.db2.gz KQUWIYARUBEVTH-MRXNPFEDSA-N 1 2 399.299 2.962 20 30 GFEDLO N#Cc1cc(C[NH+]2CCOCC2)cn(Cc2ccc(Cl)c(Cl)c2)c1=O ZINC000574446653 564673705 /nfs/dbraw/zinc/67/37/05/564673705.db2.gz LMSSALVRAIMAMG-UHFFFAOYSA-N 1 2 378.259 2.907 20 30 GFEDLO Cc1[nH+]ccc(NS(=O)(=O)c2ccc(C#N)cc2Cl)c1Br ZINC000525870603 564712318 /nfs/dbraw/zinc/71/23/18/564712318.db2.gz VVRUIFLNODHLJU-UHFFFAOYSA-N 1 2 386.658 2.900 20 30 GFEDLO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2nc(C#N)cs2)cc1 ZINC000583112673 564876389 /nfs/dbraw/zinc/87/63/89/564876389.db2.gz BBRKPYAINHKZQW-ZDUSSCGKSA-N 1 2 378.523 2.896 20 30 GFEDLO C=CCCn1cc(C[NH2+]CC(=O)Nc2ccc(Br)cc2C)nn1 ZINC000657287803 565095731 /nfs/dbraw/zinc/09/57/31/565095731.db2.gz XMZKEXSBSWAESU-UHFFFAOYSA-N 1 2 378.274 2.653 20 30 GFEDLO C=CCCn1cc(C[NH2+]CC(=O)Nc2ccc(Br)c(C)c2)nn1 ZINC000657357591 565100466 /nfs/dbraw/zinc/10/04/66/565100466.db2.gz YYWKGMONZZTCII-UHFFFAOYSA-N 1 2 378.274 2.653 20 30 GFEDLO N#Cc1ccc(OCC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1Br ZINC000590666088 565195009 /nfs/dbraw/zinc/19/50/09/565195009.db2.gz DRGUVUAOHIYTHK-CQSZACIVSA-N 1 2 389.253 2.760 20 30 GFEDLO N#Cc1c(Br)cccc1OCC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000590666095 565195045 /nfs/dbraw/zinc/19/50/45/565195045.db2.gz GMBQOVMOOMHESJ-CYBMUJFWSA-N 1 2 389.253 2.760 20 30 GFEDLO N#Cc1cc(Br)ccc1CC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000593140610 565314906 /nfs/dbraw/zinc/31/49/06/565314906.db2.gz DYKSKHKNBALYOS-QGZVFWFLSA-N 1 2 386.249 2.938 20 30 GFEDLO C[NH+](C)[C@H](CNS(=O)(=O)c1cccc(CC#N)c1)c1ccccc1Cl ZINC000619473676 565343816 /nfs/dbraw/zinc/34/38/16/565343816.db2.gz XEEOEUOPCBDSEW-GOSISDBHSA-N 1 2 377.897 2.987 20 30 GFEDLO C[C@@H](c1ccsc1)[NH+]1CCN(S(=O)(=O)c2cccc(CC#N)c2)CC1 ZINC000619496989 565345103 /nfs/dbraw/zinc/34/51/03/565345103.db2.gz OUXXUBKHQRAJNR-HNNXBMFYSA-N 1 2 375.519 2.882 20 30 GFEDLO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1CC[NH+](CC2CC2)CC1 ZINC000594756513 565415767 /nfs/dbraw/zinc/41/57/67/565415767.db2.gz ZBXRYRSETUECAW-UHFFFAOYSA-N 1 2 375.519 2.798 20 30 GFEDLO N#Cc1cc(Br)ccc1C(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000598343327 565610467 /nfs/dbraw/zinc/61/04/67/565610467.db2.gz URXNNAAFUGQHJD-UHFFFAOYSA-N 1 2 392.297 2.505 20 30 GFEDLO N#CC1(C[C@@H](O)C[N@@H+]2CCOc3cccc(Br)c3C2)CCOCC1 ZINC000599453858 565681450 /nfs/dbraw/zinc/68/14/50/565681450.db2.gz CSIUBLKCTHQWFO-CQSZACIVSA-N 1 2 395.297 2.715 20 30 GFEDLO N#CC1(C[C@@H](O)C[N@H+]2CCOc3cccc(Br)c3C2)CCOCC1 ZINC000599453858 565681453 /nfs/dbraw/zinc/68/14/53/565681453.db2.gz CSIUBLKCTHQWFO-CQSZACIVSA-N 1 2 395.297 2.715 20 30 GFEDLO N#CC1(c2ccccn2)CC[NH+](Cc2cnn3cc(Br)cnc23)CC1 ZINC000602654739 565860613 /nfs/dbraw/zinc/86/06/13/565860613.db2.gz XYZRAUBPPXGKRK-UHFFFAOYSA-N 1 2 397.280 2.944 20 30 GFEDLO N#Cc1cccc(N2CC[NH+](Cc3cn4cc(Br)ccc4n3)CC2)n1 ZINC000612831658 566176517 /nfs/dbraw/zinc/17/65/17/566176517.db2.gz VHUQTFOTRFGMMN-UHFFFAOYSA-N 1 2 397.280 2.686 20 30 GFEDLO N#CCC1CC[NH+](CC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCCCC3)CC1 ZINC000826380942 609428808 /nfs/dbraw/zinc/42/88/08/609428808.db2.gz RCWWGMDFZLZWMJ-UHFFFAOYSA-N 1 2 399.524 2.761 20 30 GFEDLO C#C[C@@H](NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1)c1ccc(Br)cc1 ZINC000833230747 660805933 /nfs/dbraw/zinc/80/59/33/660805933.db2.gz JBOMIGXZZVQIIO-QZTJIDSGSA-N 1 2 391.309 2.883 20 30 GFEDLO C#C[C@@H](NC(=O)[C@H]1COCC[N@H+]1C1CCCC1)c1ccc(Br)cc1 ZINC000833230747 660805936 /nfs/dbraw/zinc/80/59/36/660805936.db2.gz JBOMIGXZZVQIIO-QZTJIDSGSA-N 1 2 391.309 2.883 20 30 GFEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cc(Cl)cc(S(N)(=O)=O)c1 ZINC000579844466 655504770 /nfs/dbraw/zinc/50/47/70/655504770.db2.gz BMHJPCLLTHSLPS-UHFFFAOYSA-N 1 2 384.885 2.651 20 30 GFEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cc(Cl)cc(S(N)(=O)=O)c1 ZINC000579844466 655504773 /nfs/dbraw/zinc/50/47/73/655504773.db2.gz BMHJPCLLTHSLPS-UHFFFAOYSA-N 1 2 384.885 2.651 20 30 GFEDLO C#CCNC(=O)[C@@H](C)[NH+]1CCN([C@@H](CC)c2ccc(Br)cc2)CC1 ZINC000728931637 655560081 /nfs/dbraw/zinc/56/00/81/655560081.db2.gz XHAGXGKXDJGECP-QAPCUYQASA-N 1 2 392.341 2.656 20 30 GFEDLO C#CC[N@@H+](CC/C=C\c1ccc(Br)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000735309190 655644488 /nfs/dbraw/zinc/64/44/88/655644488.db2.gz IREBBBXXZJKWGQ-MAVJXHJTSA-N 1 2 382.323 2.975 20 30 GFEDLO C#CC[N@H+](CC/C=C\c1ccc(Br)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000735309190 655644490 /nfs/dbraw/zinc/64/44/90/655644490.db2.gz IREBBBXXZJKWGQ-MAVJXHJTSA-N 1 2 382.323 2.975 20 30 GFEDLO O=S(=O)(Nc1nccs1)c1ccc(N=NC2CC[N@@H+]3CCC[C@H]23)cc1 ZINC000765582302 656145632 /nfs/dbraw/zinc/14/56/32/656145632.db2.gz WHGWLRYVWKBHFK-OAHLLOKOSA-N 1 2 377.495 2.580 20 30 GFEDLO O=S(=O)(Nc1nccs1)c1ccc(N=NC2CC[N@H+]3CCC[C@H]23)cc1 ZINC000765582302 656145634 /nfs/dbraw/zinc/14/56/34/656145634.db2.gz WHGWLRYVWKBHFK-OAHLLOKOSA-N 1 2 377.495 2.580 20 30 GFEDLO Clc1ccc(-n2cc(C=NNC3=[NH+][C@@H]4CCCC[C@H]4N3)nn2)cc1Cl ZINC000783861713 657265967 /nfs/dbraw/zinc/26/59/67/657265967.db2.gz GDVDIMCUYTVAEJ-HUUCEWRRSA-N 1 2 378.267 2.768 20 30 GFEDLO COC(=O)c1ccc(Br)c(N[NH+]=Cc2cnc(N(C)C)nc2)c1 ZINC000814938242 660098833 /nfs/dbraw/zinc/09/88/33/660098833.db2.gz HYJNPLJWPACZCC-UHFFFAOYSA-N 1 2 378.230 2.538 20 30 GFEDLO C#C[C@@H]1CCC[N@@H+](CN2C(=O)N[C@@](C)(c3ccc(Br)s3)C2=O)C1 ZINC000848492722 661655399 /nfs/dbraw/zinc/65/53/99/661655399.db2.gz FVZLSCKGIXKPHS-BZNIZROVSA-N 1 2 396.310 2.580 20 30 GFEDLO C#C[C@@H]1CCC[N@H+](CN2C(=O)N[C@@](C)(c3ccc(Br)s3)C2=O)C1 ZINC000848492722 661655408 /nfs/dbraw/zinc/65/54/08/661655408.db2.gz FVZLSCKGIXKPHS-BZNIZROVSA-N 1 2 396.310 2.580 20 30 GFEDLO N#Cc1ccc(C[NH+]2CCC(n3nncc3I)CC2)cc1 ZINC000852532166 661866430 /nfs/dbraw/zinc/86/64/30/661866430.db2.gz CQTMMCAAWQRLNS-UHFFFAOYSA-N 1 2 393.232 2.591 20 30 GFEDLO C[NH+]1CCN(c2ccc(NC[C@@H](O)CC3(C#N)CC3)cc2Br)CC1 ZINC000863559660 662336547 /nfs/dbraw/zinc/33/65/47/662336547.db2.gz RRBZQECHCMHLBP-HNNXBMFYSA-N 1 2 393.329 2.668 20 30 GFEDLO Cc1ccnc(C[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1Br ZINC000865542849 662428186 /nfs/dbraw/zinc/42/81/86/662428186.db2.gz YETYFYDGMRIIBI-MRXNPFEDSA-N 1 2 399.292 2.915 20 30 GFEDLO N#Cc1csc(C[NH2+][C@H]2CCc3cc(Br)ccc3NC2=O)n1 ZINC000883387337 663054734 /nfs/dbraw/zinc/05/47/34/663054734.db2.gz WGJAVHLFGQRSNR-ZDUSSCGKSA-N 1 2 377.267 2.820 20 30 GFEDLO C=CCC1(O)CC[NH+](CCS(=O)(=O)c2cccc(Br)c2)CC1 ZINC000886766662 663117546 /nfs/dbraw/zinc/11/75/46/663117546.db2.gz OGYQLGQRUPQDAG-UHFFFAOYSA-N 1 2 388.327 2.626 20 30 GFEDLO C#CC1(O)CCN(C(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)CC1 ZINC000899117919 663676561 /nfs/dbraw/zinc/67/65/61/663676561.db2.gz OKMAFXGALNFAGE-KRWDZBQOSA-N 1 2 391.309 2.573 20 30 GFEDLO C[C@@H]1CC(=O)N(C[NH+]2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)C1 ZINC000902522225 663762445 /nfs/dbraw/zinc/76/24/45/663762445.db2.gz ABBTUUZQEIYHMX-IWSPIJDZSA-N 1 2 380.279 2.915 20 30 GFEDLO Cc1nc(C#N)cc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)n1 ZINC001164679359 719530471 /nfs/dbraw/zinc/53/04/71/719530471.db2.gz YKECGSFUESCRIN-UHFFFAOYSA-N 1 2 381.455 2.667 20 30 GFEDLO Cc1nc(C#N)cc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)n1 ZINC001164679359 719530475 /nfs/dbraw/zinc/53/04/75/719530475.db2.gz YKECGSFUESCRIN-UHFFFAOYSA-N 1 2 381.455 2.667 20 30 GFEDLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2nc3c(cc2C#N)CCCC3)CC1 ZINC001164918962 721818950 /nfs/dbraw/zinc/81/89/50/721818950.db2.gz XTBXKTOZODSTSA-UHFFFAOYSA-N 1 2 376.508 2.778 20 30 GFEDLO N#Cc1ccc(C(F)(F)N2CC[NH+](CCc3ccccn3)CC2)nc1Cl ZINC001165054417 722008925 /nfs/dbraw/zinc/00/89/25/722008925.db2.gz XPZQAUKDEIEICD-UHFFFAOYSA-N 1 2 377.826 2.911 20 30 GFEDLO N#Cc1ccc(C(=O)N2CCN(Cc3cn4cc(Cl)ccc4[nH+]3)CC2)cc1 ZINC000063700082 205187098 /nfs/dbraw/zinc/18/70/98/205187098.db2.gz XBDHHDNFTXKZLH-UHFFFAOYSA-N 1 2 379.851 2.817 20 30 GFEDLO CCCNC(=O)[C@@H](C)[NH+]1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000120986863 551224342 /nfs/dbraw/zinc/22/43/42/551224342.db2.gz DXCZMJYMDKCACV-PBHICJAKSA-N 1 2 393.329 2.546 20 30 GFEDLO CC(C)(C#N)CC[NH+]1CCN(S(=O)(=O)c2cccc3c2N=S=N3)CC1 ZINC000157392950 551537581 /nfs/dbraw/zinc/53/75/81/551537581.db2.gz NOCRGPBRSOKZGK-UHFFFAOYSA-N 1 2 379.511 2.659 20 30 GFEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cc(Br)cs1 ZINC000176366764 552139310 /nfs/dbraw/zinc/13/93/10/552139310.db2.gz NALWOIHMKILHLA-NSHDSACASA-N 1 2 378.299 2.883 20 30 GFEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cc(Br)cs1 ZINC000176366764 552139312 /nfs/dbraw/zinc/13/93/12/552139312.db2.gz NALWOIHMKILHLA-NSHDSACASA-N 1 2 378.299 2.883 20 30 GFEDLO C[N@@H+]1CC[C@@H](NS(=O)(=O)c2cccc(C#N)c2)[C@H]1c1ccc(Cl)cc1 ZINC000245614777 553094226 /nfs/dbraw/zinc/09/42/26/553094226.db2.gz LGABAFYCRFUDLA-QZTJIDSGSA-N 1 2 375.881 2.935 20 30 GFEDLO C[N@H+]1CC[C@@H](NS(=O)(=O)c2cccc(C#N)c2)[C@H]1c1ccc(Cl)cc1 ZINC000245614777 553094228 /nfs/dbraw/zinc/09/42/28/553094228.db2.gz LGABAFYCRFUDLA-QZTJIDSGSA-N 1 2 375.881 2.935 20 30 GFEDLO Cc1sc(NC(=O)C[N@@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)c(C#N)c1C ZINC000277712829 563222069 /nfs/dbraw/zinc/22/20/69/563222069.db2.gz IOXPGSWUOOVROI-FZMZJTMJSA-N 1 2 375.416 2.810 20 30 GFEDLO Cc1sc(NC(=O)C[N@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)c(C#N)c1C ZINC000277712829 563222072 /nfs/dbraw/zinc/22/20/72/563222072.db2.gz IOXPGSWUOOVROI-FZMZJTMJSA-N 1 2 375.416 2.810 20 30 GFEDLO N#Cc1ccc(S(=O)(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1Br ZINC000278937156 563276742 /nfs/dbraw/zinc/27/67/42/563276742.db2.gz XYDAKFDEDQXWBT-LBPRGKRZSA-N 1 2 395.282 2.612 20 30 GFEDLO Cc1noc(C)c1C[NH+]1CCN(c2ncc(Br)cc2C#N)CC1 ZINC000296529840 563291215 /nfs/dbraw/zinc/29/12/15/563291215.db2.gz NFJFGNQYIZESKJ-UHFFFAOYSA-N 1 2 376.258 2.643 20 30 GFEDLO COc1ccc(Br)cc1C[C@@H](CO)CNc1cc(C)[nH+]cc1C#N ZINC000425270711 563416428 /nfs/dbraw/zinc/41/64/28/563416428.db2.gz UBRRFSJFVXIYPB-CYBMUJFWSA-N 1 2 390.281 2.718 20 30 GFEDLO O=C(NCc1nc2cc(Br)cnc2[nH]1)[C@H]1CCn2c[nH+]cc2C1 ZINC000328949116 563469083 /nfs/dbraw/zinc/46/90/83/563469083.db2.gz KUJWLNOMLIFNFN-VIFPVBQESA-N 1 2 375.230 2.636 20 30 GFEDLO C[C@@H](C(=O)N1CSC[C@H]1C(=O)Nc1cccc(F)c1)[NH+]1CCSCC1 ZINC000329382611 563479057 /nfs/dbraw/zinc/47/90/57/563479057.db2.gz OFLTYNBKLCQBPM-WFASDCNBSA-N 1 2 383.514 2.753 20 30 GFEDLO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)C[C@@H]1C ZINC000330572793 563511820 /nfs/dbraw/zinc/51/18/20/563511820.db2.gz YZHKWNQLZSDWFB-NWDGAFQWSA-N 1 2 375.416 2.680 20 30 GFEDLO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)C[C@@H]1C ZINC000330572793 563511823 /nfs/dbraw/zinc/51/18/23/563511823.db2.gz YZHKWNQLZSDWFB-NWDGAFQWSA-N 1 2 375.416 2.680 20 30 GFEDLO Cc1cc(S(=O)(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)ccc1C#N ZINC000331283640 563543459 /nfs/dbraw/zinc/54/34/59/563543459.db2.gz KIOZOHRMKQISCD-HNNXBMFYSA-N 1 2 375.519 2.996 20 30 GFEDLO CC[NH+](CC)[C@@H](CNS(=O)(=O)N(C)C[C@H](C)C#N)c1ccccc1Cl ZINC000409536383 563564436 /nfs/dbraw/zinc/56/44/36/563564436.db2.gz QDCKUQUDZDYQOE-PBHICJAKSA-N 1 2 386.949 2.649 20 30 GFEDLO CC(C)(CNS(=O)(=O)c1ccc(C#N)s1)[N@@H+]1CCc2ccccc2C1 ZINC000435440388 563651119 /nfs/dbraw/zinc/65/11/19/563651119.db2.gz WHYBXERPLRODNM-UHFFFAOYSA-N 1 2 375.519 2.735 20 30 GFEDLO CC(C)(CNS(=O)(=O)c1ccc(C#N)s1)[N@H+]1CCc2ccccc2C1 ZINC000435440388 563651122 /nfs/dbraw/zinc/65/11/22/563651122.db2.gz WHYBXERPLRODNM-UHFFFAOYSA-N 1 2 375.519 2.735 20 30 GFEDLO Cc1nc2c(s1)[C@H]([N@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1)CCC2 ZINC000289613233 563680836 /nfs/dbraw/zinc/68/08/36/563680836.db2.gz ASSRMKQEWJBBGP-OAHLLOKOSA-N 1 2 376.507 2.501 20 30 GFEDLO Cc1nc2c(s1)[C@H]([N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1)CCC2 ZINC000289613233 563680839 /nfs/dbraw/zinc/68/08/39/563680839.db2.gz ASSRMKQEWJBBGP-OAHLLOKOSA-N 1 2 376.507 2.501 20 30 GFEDLO N#Cc1ccc(Br)c(C[N@@H+]2CCCN(C(=O)[C@H]3CCCO3)CC2)c1 ZINC000365191164 563776569 /nfs/dbraw/zinc/77/65/69/563776569.db2.gz JXQOMBRGLAAHCY-QGZVFWFLSA-N 1 2 392.297 2.534 20 30 GFEDLO N#Cc1ccc(Br)c(C[N@H+]2CCCN(C(=O)[C@H]3CCCO3)CC2)c1 ZINC000365191164 563776572 /nfs/dbraw/zinc/77/65/72/563776572.db2.gz JXQOMBRGLAAHCY-QGZVFWFLSA-N 1 2 392.297 2.534 20 30 GFEDLO N#Cc1c(Cl)cccc1S(=O)(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000443097441 563792023 /nfs/dbraw/zinc/79/20/23/563792023.db2.gz UZUFRPGNOLFEAM-OAHLLOKOSA-N 1 2 379.869 2.920 20 30 GFEDLO N#Cc1cccc(C(=O)N2CC[NH+](Cc3ccccn3)CC2)c1Br ZINC000448613894 563898975 /nfs/dbraw/zinc/89/89/75/563898975.db2.gz OXNBDRDBJKSJIS-UHFFFAOYSA-N 1 2 385.265 2.674 20 30 GFEDLO CNc1cc(N2CCC[C@@H]2CNc2ncc(Br)cc2C#N)nc[nH+]1 ZINC000450316279 564226604 /nfs/dbraw/zinc/22/66/04/564226604.db2.gz YRAUVWUXDGYDJG-CYBMUJFWSA-N 1 2 388.273 2.628 20 30 GFEDLO CNc1cc(N2CCC[C@@H]2CNc2ncc(Br)cc2C#N)[nH+]cn1 ZINC000450316279 564226606 /nfs/dbraw/zinc/22/66/06/564226606.db2.gz YRAUVWUXDGYDJG-CYBMUJFWSA-N 1 2 388.273 2.628 20 30 GFEDLO Cc1nn(C)c(N2CC[NH+](Cc3cc(Br)ccc3C)CC2)c1C#N ZINC000450826984 564249796 /nfs/dbraw/zinc/24/97/96/564249796.db2.gz ZPRUYBSSPBTAHK-UHFFFAOYSA-N 1 2 388.313 2.993 20 30 GFEDLO C=CCn1c(C)nnc1N1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000508480283 564264389 /nfs/dbraw/zinc/26/43/89/564264389.db2.gz FDRROZWRGUHSMR-UHFFFAOYSA-N 1 2 376.302 2.857 20 30 GFEDLO C[C@@H](Cc1ccsc1)[NH+]1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000543058660 564336625 /nfs/dbraw/zinc/33/66/25/564336625.db2.gz NIIKPJMYBBKMOQ-HNNXBMFYSA-N 1 2 375.519 2.557 20 30 GFEDLO CC[C@@H]1C[N@H+](CC)CCN1S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000451938407 564370134 /nfs/dbraw/zinc/37/01/34/564370134.db2.gz XJFSGMFCSDXRPE-CYBMUJFWSA-N 1 2 375.416 2.682 20 30 GFEDLO CC[C@@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000451938407 564370139 /nfs/dbraw/zinc/37/01/39/564370139.db2.gz XJFSGMFCSDXRPE-CYBMUJFWSA-N 1 2 375.416 2.682 20 30 GFEDLO CC[C@H]1C[N@H+](CC)CCN1S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000451939309 564370568 /nfs/dbraw/zinc/37/05/68/564370568.db2.gz ZQGTUDDTPIWNQL-ZDUSSCGKSA-N 1 2 375.416 2.682 20 30 GFEDLO CC[C@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000451939309 564370570 /nfs/dbraw/zinc/37/05/70/564370570.db2.gz ZQGTUDDTPIWNQL-ZDUSSCGKSA-N 1 2 375.416 2.682 20 30 GFEDLO N#Cc1ccc(S(=O)(=O)NCc2cn3cc(Cl)ccc3[nH+]2)cc1Cl ZINC000515707904 564485436 /nfs/dbraw/zinc/48/54/36/564485436.db2.gz ZCJCSEWHCKRVPX-UHFFFAOYSA-N 1 2 381.244 2.991 20 30 GFEDLO C[C@H](CNS(=O)(=O)c1ccc(C#N)c(Cl)c1)[N@@H+]1CCc2sccc2C1 ZINC000519166973 564571163 /nfs/dbraw/zinc/57/11/63/564571163.db2.gz ZHELQLQPSYOHDS-GFCCVEGCSA-N 1 2 395.937 2.998 20 30 GFEDLO C[C@H](CNS(=O)(=O)c1ccc(C#N)c(Cl)c1)[N@H+]1CCc2sccc2C1 ZINC000519166973 564571168 /nfs/dbraw/zinc/57/11/68/564571168.db2.gz ZHELQLQPSYOHDS-GFCCVEGCSA-N 1 2 395.937 2.998 20 30 GFEDLO CC1(C)C[N@H+](CCS(=O)(=O)c2ccc(C#N)cn2)CC[C@H]1C(F)(F)F ZINC000571957796 564574656 /nfs/dbraw/zinc/57/46/56/564574656.db2.gz WSTJFWUMSPQXFS-CYBMUJFWSA-N 1 2 375.416 2.637 20 30 GFEDLO CC1(C)C[N@@H+](CCS(=O)(=O)c2ccc(C#N)cn2)CC[C@H]1C(F)(F)F ZINC000571957796 564574659 /nfs/dbraw/zinc/57/46/59/564574659.db2.gz WSTJFWUMSPQXFS-CYBMUJFWSA-N 1 2 375.416 2.637 20 30 GFEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)COc1cccc(Br)c1C#N ZINC000456360422 564602125 /nfs/dbraw/zinc/60/21/25/564602125.db2.gz VCBLDFCCDWHZIP-NSHDSACASA-N 1 2 377.242 2.793 20 30 GFEDLO N#Cc1ccsc1NC(=O)C[N@@H+](CCO)Cc1cccc(Br)c1 ZINC000488257822 564708336 /nfs/dbraw/zinc/70/83/36/564708336.db2.gz XIIBRHYPSIRPAT-UHFFFAOYSA-N 1 2 394.294 2.815 20 30 GFEDLO N#Cc1ccsc1NC(=O)C[N@H+](CCO)Cc1cccc(Br)c1 ZINC000488257822 564708341 /nfs/dbraw/zinc/70/83/41/564708341.db2.gz XIIBRHYPSIRPAT-UHFFFAOYSA-N 1 2 394.294 2.815 20 30 GFEDLO C=CCOc1c(Br)cc(C[NH+]2C[C@@H](OC)[C@H](OC)C2)cc1OC ZINC000488552685 564714041 /nfs/dbraw/zinc/71/40/41/564714041.db2.gz CQLFZUHSONJDAK-HZPDHXFCSA-N 1 2 386.286 2.868 20 30 GFEDLO N#Cc1ccc(S(=O)(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)o1 ZINC000557795305 564876580 /nfs/dbraw/zinc/87/65/80/564876580.db2.gz JMUPVHNBESMFFO-INIZCTEOSA-N 1 2 379.869 2.920 20 30 GFEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)C(=O)Nc2ccc(Br)c(C)c2)C1=O ZINC000499948458 564940923 /nfs/dbraw/zinc/94/09/23/564940923.db2.gz BDNASAQDEVIQHF-BBRMVZONSA-N 1 2 394.313 2.803 20 30 GFEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)C(=O)Nc2ccc(Br)c(C)c2)C1=O ZINC000499948458 564940925 /nfs/dbraw/zinc/94/09/25/564940925.db2.gz BDNASAQDEVIQHF-BBRMVZONSA-N 1 2 394.313 2.803 20 30 GFEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)C1=O ZINC000499938590 564940987 /nfs/dbraw/zinc/94/09/87/564940987.db2.gz JXROWOCVMNWMEL-HZPDHXFCSA-N 1 2 382.291 2.817 20 30 GFEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)C1=O ZINC000499938590 564940988 /nfs/dbraw/zinc/94/09/88/564940988.db2.gz JXROWOCVMNWMEL-HZPDHXFCSA-N 1 2 382.291 2.817 20 30 GFEDLO N#Cc1ccc([C@@H]([NH2+][C@H](c2cncc(Br)c2)C2CC2)C(N)=O)cc1 ZINC000560177462 564952446 /nfs/dbraw/zinc/95/24/46/564952446.db2.gz MSCZODYCQVNAOL-DLBZAZTESA-N 1 2 385.265 2.983 20 30 GFEDLO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CCSC[C@@H]2CCO)ccc1Cl ZINC000470211420 565041793 /nfs/dbraw/zinc/04/17/93/565041793.db2.gz ZZAMTHLFRDPIGB-INIZCTEOSA-N 1 2 381.929 2.695 20 30 GFEDLO Cc1cc(N(CCC#N)C(=O)C[N@H+]2CCSC[C@@H]2CCO)ccc1Cl ZINC000470211420 565041797 /nfs/dbraw/zinc/04/17/97/565041797.db2.gz ZZAMTHLFRDPIGB-INIZCTEOSA-N 1 2 381.929 2.695 20 30 GFEDLO C=CC[N@@H+](CCS(=O)(=O)c1cccc(Br)c1)[C@@H](C)COC ZINC000661241999 565316376 /nfs/dbraw/zinc/31/63/76/565316376.db2.gz GJZWMBSDJDSYAV-ZDUSSCGKSA-N 1 2 376.316 2.746 20 30 GFEDLO C=CC[N@H+](CCS(=O)(=O)c1cccc(Br)c1)[C@@H](C)COC ZINC000661241999 565316380 /nfs/dbraw/zinc/31/63/80/565316380.db2.gz GJZWMBSDJDSYAV-ZDUSSCGKSA-N 1 2 376.316 2.746 20 30 GFEDLO C[C@@H](CNS(=O)(=O)c1cccc(CC#N)c1)[N@@H+]1CCc2sccc2C1 ZINC000619475798 565343770 /nfs/dbraw/zinc/34/37/70/565343770.db2.gz QZDQNJKXZURLSN-AWEZNQCLSA-N 1 2 375.519 2.539 20 30 GFEDLO C[C@@H](CNS(=O)(=O)c1cccc(CC#N)c1)[N@H+]1CCc2sccc2C1 ZINC000619475798 565343773 /nfs/dbraw/zinc/34/37/73/565343773.db2.gz QZDQNJKXZURLSN-AWEZNQCLSA-N 1 2 375.519 2.539 20 30 GFEDLO COCC[N@@H+](Cc1ccc(C#N)cc1Br)C[C@H](O)C(F)(F)F ZINC000594017316 565371992 /nfs/dbraw/zinc/37/19/92/565371992.db2.gz CUNXVMSSVKLRJZ-ZDUSSCGKSA-N 1 2 381.192 2.692 20 30 GFEDLO COCC[N@H+](Cc1ccc(C#N)cc1Br)C[C@H](O)C(F)(F)F ZINC000594017316 565371994 /nfs/dbraw/zinc/37/19/94/565371994.db2.gz CUNXVMSSVKLRJZ-ZDUSSCGKSA-N 1 2 381.192 2.692 20 30 GFEDLO N#Cc1ccc(S(=O)(=O)NCc2ccc[nH+]c2N2CCCC2)cc1Cl ZINC000594803157 565423316 /nfs/dbraw/zinc/42/33/16/565423316.db2.gz KAJPUUFWRCNDED-UHFFFAOYSA-N 1 2 376.869 2.685 20 30 GFEDLO C=CCNC(=O)CN1CC[NH+](Cc2cc3cc(Br)ccc3o2)CC1 ZINC000667491954 565589111 /nfs/dbraw/zinc/58/91/11/565589111.db2.gz OAUJODGNEXFFBZ-UHFFFAOYSA-N 1 2 392.297 2.615 20 30 GFEDLO Cc1ccc2c(ncc(C#N)c2NC[C@@H]2COCC[N@H+]2C)c1Br ZINC000599160893 565658679 /nfs/dbraw/zinc/65/86/79/565658679.db2.gz KZDXMBNYDBSDDQ-CYBMUJFWSA-N 1 2 375.270 2.920 20 30 GFEDLO Cc1ccc2c(ncc(C#N)c2NC[C@@H]2COCC[N@@H+]2C)c1Br ZINC000599160893 565658683 /nfs/dbraw/zinc/65/86/83/565658683.db2.gz KZDXMBNYDBSDDQ-CYBMUJFWSA-N 1 2 375.270 2.920 20 30 GFEDLO Cc1noc(C)c1C[NH+]1CCN(c2cc(C#N)c(Br)cn2)CC1 ZINC000603273748 565893843 /nfs/dbraw/zinc/89/38/43/565893843.db2.gz HGSCJUAEFCRJBB-UHFFFAOYSA-N 1 2 376.258 2.643 20 30 GFEDLO CC(C)c1nc(-c2nn[nH]n2)c(N=NC2CC[N@H+](Cc3ccccn3)C[C@@H]2C)o1 ZINC000736289187 599009705 /nfs/dbraw/zinc/00/97/05/599009705.db2.gz KLOPAZZMIQAYAV-ZDUSSCGKSA-N 1 2 395.471 2.683 20 30 GFEDLO CC(C)c1nc(-c2nn[nH]n2)c(N=NC2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)o1 ZINC000736289187 599009707 /nfs/dbraw/zinc/00/97/07/599009707.db2.gz KLOPAZZMIQAYAV-ZDUSSCGKSA-N 1 2 395.471 2.683 20 30 GFEDLO N#Cc1csc(C[NH+]2CCC(n3nncc3I)CC2)c1 ZINC000827281719 660487570 /nfs/dbraw/zinc/48/75/70/660487570.db2.gz KAYNJZMUWAYFFG-UHFFFAOYSA-N 1 2 399.261 2.653 20 30 GFEDLO C#CC[NH+]1CCC(C(=O)O[C@@H](C)C(=O)c2ccc(Br)cc2)CC1 ZINC000772120590 656372893 /nfs/dbraw/zinc/37/28/93/656372893.db2.gz KWEUODNRUUQVTP-ZDUSSCGKSA-N 1 2 378.266 2.909 20 30 GFEDLO CS(=O)(=O)CCSc1cc(Br)ccc1C[NH2+]CCC#N ZINC000787300495 657540317 /nfs/dbraw/zinc/54/03/17/657540317.db2.gz PITNVMDBNHLRHX-UHFFFAOYSA-N 1 2 377.329 2.589 20 30 GFEDLO C[NH+]1CCN(c2ccc(NC[C@H](O)CC3(C#N)CC3)cc2Br)CC1 ZINC000863559661 662336512 /nfs/dbraw/zinc/33/65/12/662336512.db2.gz RRBZQECHCMHLBP-OAHLLOKOSA-N 1 2 393.329 2.668 20 30 GFEDLO C[N@@H+]1CCC[C@@H]1c1cc(C(=O)N[C@@H](C#N)c2ccc(Br)cc2)[nH]n1 ZINC000900112077 663708495 /nfs/dbraw/zinc/70/84/95/663708495.db2.gz QINXIXPJKSDJFN-JKSUJKDBSA-N 1 2 388.269 2.934 20 30 GFEDLO C[N@H+]1CCC[C@@H]1c1cc(C(=O)N[C@@H](C#N)c2ccc(Br)cc2)[nH]n1 ZINC000900112077 663708496 /nfs/dbraw/zinc/70/84/96/663708496.db2.gz QINXIXPJKSDJFN-JKSUJKDBSA-N 1 2 388.269 2.934 20 30 GFEDLO N#Cc1cc(Cl)ccc1S(=O)(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000920626880 664528678 /nfs/dbraw/zinc/52/86/78/664528678.db2.gz STZJGVIQESYMIF-UHFFFAOYSA-N 1 2 376.869 2.872 20 30 GFEDLO N#Cc1cnc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)c(Cl)c1 ZINC001164944997 721970064 /nfs/dbraw/zinc/97/00/64/721970064.db2.gz MGSAJGCZNSSXKX-UHFFFAOYSA-N 1 2 395.894 2.578 20 30 GFEDLO N#Cc1cnc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)c(Cl)c1 ZINC001164944997 721970067 /nfs/dbraw/zinc/97/00/67/721970067.db2.gz MGSAJGCZNSSXKX-UHFFFAOYSA-N 1 2 395.894 2.578 20 30 GFEDLO Cc1nc(CN2CCO[C@H]3CCN(c4cc(CC#N)cc[nH+]4)CC[C@@H]32)cs1 ZINC001164989243 722184243 /nfs/dbraw/zinc/18/42/43/722184243.db2.gz LSBSPVMNBNLTIV-OALUTQOASA-N 1 2 383.521 2.782 20 30 GFEDLO C=CCC[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000121002183 551224781 /nfs/dbraw/zinc/22/47/81/551224781.db2.gz URKHCNZLWIQMBU-CYBMUJFWSA-N 1 2 393.336 2.627 20 30 GFEDLO C[N@@H+]1CC[C@H](NS(=O)(=O)c2ccccc2C#N)[C@@H]1c1ccc(Cl)cc1 ZINC000121744747 551241446 /nfs/dbraw/zinc/24/14/46/551241446.db2.gz QXHVNCZHGQHSDL-WMZOPIPTSA-N 1 2 375.881 2.935 20 30 GFEDLO C[N@H+]1CC[C@H](NS(=O)(=O)c2ccccc2C#N)[C@@H]1c1ccc(Cl)cc1 ZINC000121744747 551241449 /nfs/dbraw/zinc/24/14/49/551241449.db2.gz QXHVNCZHGQHSDL-WMZOPIPTSA-N 1 2 375.881 2.935 20 30 GFEDLO Cc1cc(C)c(Br)c(C(=O)N(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000123124609 551303166 /nfs/dbraw/zinc/30/31/66/551303166.db2.gz QQCYHIMDKZFSKY-UHFFFAOYSA-N 1 2 394.313 2.754 20 30 GFEDLO C=CC[N@@H+](CCc1nc(-c2cccc(Cl)c2)no1)[C@H]1CCS(=O)(=O)C1 ZINC000158062447 551546979 /nfs/dbraw/zinc/54/69/79/551546979.db2.gz XJIAODRSBNJNCS-HNNXBMFYSA-N 1 2 381.885 2.608 20 30 GFEDLO C=CC[N@H+](CCc1nc(-c2cccc(Cl)c2)no1)[C@H]1CCS(=O)(=O)C1 ZINC000158062447 551546982 /nfs/dbraw/zinc/54/69/82/551546982.db2.gz XJIAODRSBNJNCS-HNNXBMFYSA-N 1 2 381.885 2.608 20 30 GFEDLO N#CC1(CS(=O)(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)CC1 ZINC000165238879 551628799 /nfs/dbraw/zinc/62/87/99/551628799.db2.gz FJIZRFKLDPLEHB-HNNXBMFYSA-N 1 2 385.892 2.667 20 30 GFEDLO N#CC1(CS(=O)(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)CC1 ZINC000165238879 551628802 /nfs/dbraw/zinc/62/88/02/551628802.db2.gz FJIZRFKLDPLEHB-HNNXBMFYSA-N 1 2 385.892 2.667 20 30 GFEDLO Cc1cc(C[NH+]2CCN(Cc3ccc(C#N)cc3Br)CC2)on1 ZINC000180888249 552238630 /nfs/dbraw/zinc/23/86/30/552238630.db2.gz KJGAWYPEJIAKEX-UHFFFAOYSA-N 1 2 375.270 2.935 20 30 GFEDLO C[C@H](c1nccs1)N1CC[NH+](CCC(=O)Nc2sccc2C#N)CC1 ZINC000184576405 552339377 /nfs/dbraw/zinc/33/93/77/552339377.db2.gz KGXSMXHILXNDBO-CYBMUJFWSA-N 1 2 375.523 2.784 20 30 GFEDLO C[C@@H](CNS(=O)(=O)c1cc(C#N)ccc1Cl)[N@@H+]1CCc2sccc2C1 ZINC000186257816 552383236 /nfs/dbraw/zinc/38/32/36/552383236.db2.gz MQADXWDNQRJIIM-LBPRGKRZSA-N 1 2 395.937 2.998 20 30 GFEDLO C[C@@H](CNS(=O)(=O)c1cc(C#N)ccc1Cl)[N@H+]1CCc2sccc2C1 ZINC000186257816 552383237 /nfs/dbraw/zinc/38/32/37/552383237.db2.gz MQADXWDNQRJIIM-LBPRGKRZSA-N 1 2 395.937 2.998 20 30 GFEDLO C=CCNC(=O)C[NH+]1CCN(Cc2ccc(Cl)c(Br)c2)CC1 ZINC000538308291 564186989 /nfs/dbraw/zinc/18/69/89/564186989.db2.gz MASSDBSIJMLCRL-UHFFFAOYSA-N 1 2 386.721 2.522 20 30 GFEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)C(=O)Nc2ccc(C)cc2Br)C1=O ZINC000281273899 563371868 /nfs/dbraw/zinc/37/18/68/563371868.db2.gz IEXAYKYSXAVEOU-BBRMVZONSA-N 1 2 394.313 2.803 20 30 GFEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)C(=O)Nc2ccc(C)cc2Br)C1=O ZINC000281273899 563371871 /nfs/dbraw/zinc/37/18/71/563371871.db2.gz IEXAYKYSXAVEOU-BBRMVZONSA-N 1 2 394.313 2.803 20 30 GFEDLO COC(=O)c1cnc([C@H](C)[NH2+]CC(=O)Nc2cc(Cl)ccc2C#N)s1 ZINC000425490745 563424500 /nfs/dbraw/zinc/42/45/00/563424500.db2.gz PLZPZQOODMBRND-VIFPVBQESA-N 1 2 378.841 2.744 20 30 GFEDLO CN1C[C@H](NC(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)CC1=O ZINC000328648786 563462263 /nfs/dbraw/zinc/46/22/63/563462263.db2.gz IHENTRZSEGGXRU-ZBFHGGJFSA-N 1 2 380.286 2.773 20 30 GFEDLO CC[C@H]1CN(C(=O)c2cccc(C#N)c2Br)C[C@H]1[NH+]1CCOCC1 ZINC000331299907 563544548 /nfs/dbraw/zinc/54/45/48/563544548.db2.gz BLZXDTPLQBZLOQ-XJKSGUPXSA-N 1 2 392.297 2.504 20 30 GFEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000286727167 563573087 /nfs/dbraw/zinc/57/30/87/563573087.db2.gz XMVCDZKVZZCJAH-AAEUAGOBSA-N 1 2 375.778 2.643 20 30 GFEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000286727167 563573090 /nfs/dbraw/zinc/57/30/90/563573090.db2.gz XMVCDZKVZZCJAH-AAEUAGOBSA-N 1 2 375.778 2.643 20 30 GFEDLO C[C@H](C#N)S(=O)(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000416457077 563831407 /nfs/dbraw/zinc/83/14/07/563831407.db2.gz NHWXUUIQGJHJIX-LLVKDONJSA-N 1 2 376.309 2.789 20 30 GFEDLO C=CCNC(=O)C[NH+]1CCN(Cc2cc(Cl)ccc2Br)CC1 ZINC000506311588 564200905 /nfs/dbraw/zinc/20/09/05/564200905.db2.gz XCGBSJGPNVKJTD-UHFFFAOYSA-N 1 2 386.721 2.522 20 30 GFEDLO N#Cc1cc(Br)cnc1N(CC[NH+]1CCOCC1)Cc1ccco1 ZINC000450945555 564255730 /nfs/dbraw/zinc/25/57/30/564255730.db2.gz WYQYXSBMBHEWJC-UHFFFAOYSA-N 1 2 391.269 2.648 20 30 GFEDLO N#Cc1cc(F)c(S(=O)(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)cc1Br ZINC000451382993 564307359 /nfs/dbraw/zinc/30/73/59/564307359.db2.gz IKZKAJZHECEBJY-GFCCVEGCSA-N 1 2 399.245 2.709 20 30 GFEDLO N#Cc1ccc(Cl)c(S(=O)(=O)NCc2cn3cc(Cl)ccc3[nH+]2)c1 ZINC000475540208 564311463 /nfs/dbraw/zinc/31/14/63/564311463.db2.gz DGYBFTZONVRDFM-UHFFFAOYSA-N 1 2 381.244 2.991 20 30 GFEDLO Cn1cc(I)c(C[NH2+][C@H]2CCc3ccc(C#N)cc32)n1 ZINC000453339387 564453951 /nfs/dbraw/zinc/45/39/51/564453951.db2.gz BKNSAAOUEHSJRS-AWEZNQCLSA-N 1 2 378.217 2.673 20 30 GFEDLO N#Cc1csc(C[NH2+][C@@H]2CCN(c3cccc(Br)c3)C2=O)n1 ZINC000572565617 564599508 /nfs/dbraw/zinc/59/95/08/564599508.db2.gz AANUXVKZVNGURB-CYBMUJFWSA-N 1 2 377.267 2.672 20 30 GFEDLO COc1cc(C[NH2+]Cc2ncc(I)s2)ccc1C#N ZINC000572651654 564604602 /nfs/dbraw/zinc/60/46/02/564604602.db2.gz KPSPPWVJWJZPJD-UHFFFAOYSA-N 1 2 385.230 2.918 20 30 GFEDLO C=CCSc1ccccc1C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000485468418 564616096 /nfs/dbraw/zinc/61/60/96/564616096.db2.gz RTUVBUWESVRXCI-IBGZPJMESA-N 1 2 378.563 2.902 20 30 GFEDLO COC(=O)c1ccc(N2CC[NH+](Cc3ccc(Cl)s3)CC2)c(C#N)n1 ZINC000577005349 564722177 /nfs/dbraw/zinc/72/21/77/564722177.db2.gz VAGDVPTWSXYHQW-UHFFFAOYSA-N 1 2 376.869 2.777 20 30 GFEDLO C[N@H+](CCS(=O)(=O)c1ccc(C#N)cn1)Cc1cccc(Br)c1 ZINC000554741722 564771712 /nfs/dbraw/zinc/77/17/12/564771712.db2.gz KXQFNMXFLDDALX-UHFFFAOYSA-N 1 2 394.294 2.621 20 30 GFEDLO C[N@@H+](CCS(=O)(=O)c1ccc(C#N)cn1)Cc1cccc(Br)c1 ZINC000554741722 564771715 /nfs/dbraw/zinc/77/17/15/564771715.db2.gz KXQFNMXFLDDALX-UHFFFAOYSA-N 1 2 394.294 2.621 20 30 GFEDLO C[C@H]1C[C@@H](NS(=O)(=O)c2cc(Br)cc(C#N)c2)c2[nH+]ccn21 ZINC000580993301 564782967 /nfs/dbraw/zinc/78/29/67/564782967.db2.gz JMCGQVWYYNZUSH-TVQRCGJNSA-N 1 2 381.255 2.502 20 30 GFEDLO N#CC1(CN(CC[NH+]2CCOCC2)Cc2sccc2Br)CC1 ZINC000561916020 565012848 /nfs/dbraw/zinc/01/28/48/565012848.db2.gz GJIWEYKVJKUDRR-UHFFFAOYSA-N 1 2 384.343 2.949 20 30 GFEDLO C[C@@H](c1ccc(N2CCCS2(=O)=O)cc1)[N@H+](C)Cc1nc(C#N)cs1 ZINC000584416669 565080240 /nfs/dbraw/zinc/08/02/40/565080240.db2.gz PTCIQWDMUNOSFP-ZDUSSCGKSA-N 1 2 376.507 2.748 20 30 GFEDLO C[C@@H](c1ccc(N2CCCS2(=O)=O)cc1)[N@@H+](C)Cc1nc(C#N)cs1 ZINC000584416669 565080247 /nfs/dbraw/zinc/08/02/47/565080247.db2.gz PTCIQWDMUNOSFP-ZDUSSCGKSA-N 1 2 376.507 2.748 20 30 GFEDLO Cc1ncc(C[NH+]2CCN(C(=O)Nc3cnc(C#N)c(Cl)c3)CC2)s1 ZINC000590844845 565207784 /nfs/dbraw/zinc/20/77/84/565207784.db2.gz VKIQSQNJXJHXQL-UHFFFAOYSA-N 1 2 376.873 2.721 20 30 GFEDLO N#Cc1sccc1S(=O)(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000593544201 565339594 /nfs/dbraw/zinc/33/95/94/565339594.db2.gz RQSAMBPNOMSAAI-UHFFFAOYSA-N 1 2 376.507 2.874 20 30 GFEDLO Cc1cc(Br)cn2cc(CCNC(=O)N3CC[C@@](C)(C#N)C3)[nH+]c12 ZINC000595584984 565483622 /nfs/dbraw/zinc/48/36/22/565483622.db2.gz NMYHSUCPPFOTKV-KRWDZBQOSA-N 1 2 390.285 2.893 20 30 GFEDLO N#CC[C@H]1CCC[N@@H+](CC(=O)Nc2cccc(I)c2)C1 ZINC000595613891 565484807 /nfs/dbraw/zinc/48/48/07/565484807.db2.gz FPTWLHHDQZKPAU-GFCCVEGCSA-N 1 2 383.233 2.855 20 30 GFEDLO N#CC[C@H]1CCC[N@H+](CC(=O)Nc2cccc(I)c2)C1 ZINC000595613891 565484813 /nfs/dbraw/zinc/48/48/13/565484813.db2.gz FPTWLHHDQZKPAU-GFCCVEGCSA-N 1 2 383.233 2.855 20 30 GFEDLO C=CC[N@H+](CC(=O)Nc1ccccc1I)[C@H](C)COC ZINC000595639877 565485643 /nfs/dbraw/zinc/48/56/43/565485643.db2.gz YMKZPNNPIJKHKO-GFCCVEGCSA-N 1 2 388.249 2.753 20 30 GFEDLO C=CC[N@@H+](CC(=O)Nc1ccccc1I)[C@H](C)COC ZINC000595639877 565485647 /nfs/dbraw/zinc/48/56/47/565485647.db2.gz YMKZPNNPIJKHKO-GFCCVEGCSA-N 1 2 388.249 2.753 20 30 GFEDLO C=CCC[C@@H](O)C[NH2+][C@@]1(C(=O)OC)CCc2cc(Br)ccc2C1 ZINC000599593222 565690716 /nfs/dbraw/zinc/69/07/16/565690716.db2.gz ARKUVFCBZNPTHF-AEFFLSMTSA-N 1 2 382.298 2.766 20 30 GFEDLO N#Cc1cccc([C@H]2C[N@H+](CCCOc3cccc(-c4nn[nH]n4)c3)CCO2)c1 ZINC000826386598 608072064 /nfs/dbraw/zinc/07/20/64/608072064.db2.gz LIHWROYQXLPIJP-HXUWFJFHSA-N 1 2 390.447 2.581 20 30 GFEDLO N#Cc1cccc([C@H]2C[N@@H+](CCCOc3cccc(-c4nn[nH]n4)c3)CCO2)c1 ZINC000826386598 608072065 /nfs/dbraw/zinc/07/20/65/608072065.db2.gz LIHWROYQXLPIJP-HXUWFJFHSA-N 1 2 390.447 2.581 20 30 GFEDLO C#C[C@H](NC(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C)c1ccc(Br)cc1 ZINC000820610857 660299496 /nfs/dbraw/zinc/29/94/96/660299496.db2.gz FPAAXKVUAUUKCD-KEYYUXOJSA-N 1 2 394.313 2.532 20 30 GFEDLO C#C[C@H](NC(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C)c1ccc(Br)cc1 ZINC000820610857 660299497 /nfs/dbraw/zinc/29/94/97/660299497.db2.gz FPAAXKVUAUUKCD-KEYYUXOJSA-N 1 2 394.313 2.532 20 30 GFEDLO N#CCCCC[NH+]1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000105168592 655089318 /nfs/dbraw/zinc/08/93/18/655089318.db2.gz XRFIQKQUQPTIRG-UHFFFAOYSA-N 1 2 375.416 2.706 20 30 GFEDLO Cc1cc(Br)cn2c(CN=Nc3cc(Cl)nc(N)n3)c[nH+]c12 ZINC000783861344 657266009 /nfs/dbraw/zinc/26/60/09/657266009.db2.gz FSDMVEXCLXTQSG-UHFFFAOYSA-N 1 2 380.637 2.877 20 30 GFEDLO C#C[C@H]1CCC[N@@H+](CN2C(=O)N[C@](C)(c3ccc(Br)s3)C2=O)C1 ZINC000848492725 661655458 /nfs/dbraw/zinc/65/54/58/661655458.db2.gz FVZLSCKGIXKPHS-MEDUHNTESA-N 1 2 396.310 2.580 20 30 GFEDLO C#C[C@H]1CCC[N@H+](CN2C(=O)N[C@](C)(c3ccc(Br)s3)C2=O)C1 ZINC000848492725 661655463 /nfs/dbraw/zinc/65/54/63/661655463.db2.gz FVZLSCKGIXKPHS-MEDUHNTESA-N 1 2 396.310 2.580 20 30 GFEDLO C=C(Cl)C[C@@H]([NH3+])c1nc(CS(=O)(=O)Cc2ccc(Cl)cc2)no1 ZINC000872184146 662757558 /nfs/dbraw/zinc/75/75/58/662757558.db2.gz RQHUYKXBFNIGJN-GFCCVEGCSA-N 1 2 376.265 2.980 20 30 GFEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@H]1c1ccccc1Br ZINC000884165214 663066231 /nfs/dbraw/zinc/06/62/31/663066231.db2.gz BVDZLFOCANHDFP-GJZGRUSLSA-N 1 2 381.270 2.559 20 30 GFEDLO C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCC[N@H+](CCF)C1 ZINC000898508128 663653197 /nfs/dbraw/zinc/65/31/97/663653197.db2.gz ZDFSLQQEVPJXBT-UONOGXRCSA-N 1 2 377.888 2.572 20 30 GFEDLO C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCC[N@@H+](CCF)C1 ZINC000898508128 663653201 /nfs/dbraw/zinc/65/32/01/663653201.db2.gz ZDFSLQQEVPJXBT-UONOGXRCSA-N 1 2 377.888 2.572 20 30 GFEDLO N#Cc1c(Cl)cccc1S(=O)(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000920625134 664528624 /nfs/dbraw/zinc/52/86/24/664528624.db2.gz IBEOGGFXSCZLPA-UHFFFAOYSA-N 1 2 376.869 2.872 20 30 GFEDLO C[C@H](C[NH+]1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)S(C)(=O)=O ZINC000932942220 664843657 /nfs/dbraw/zinc/84/36/57/664843657.db2.gz GECTXVBRFUONBT-CSMHCCOUSA-N 1 2 389.308 2.522 20 30 GFEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)Nc1ccc(C#N)c(Br)c1 ZINC000596904128 677674344 /nfs/dbraw/zinc/67/43/44/677674344.db2.gz LPRONIVIMRXIAF-NEPJUHHUSA-N 1 2 381.274 2.551 20 30 GFEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)Nc1ccc(C#N)c(Br)c1 ZINC000596904128 677674345 /nfs/dbraw/zinc/67/43/45/677674345.db2.gz LPRONIVIMRXIAF-NEPJUHHUSA-N 1 2 381.274 2.551 20 30 GFEDLO C[C@H](C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)[NH+]1CCSCC1 ZINC000542073910 532764509 /nfs/dbraw/zinc/76/45/09/532764509.db2.gz UWRVYLSJTIAIDG-GFCCVEGCSA-N 1 2 375.885 2.773 20 30 GFEDLO N#CCCCC[NH+]1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000058372289 551183035 /nfs/dbraw/zinc/18/30/35/551183035.db2.gz OSLXPONGOAGSPD-UHFFFAOYSA-N 1 2 376.309 2.994 20 30 GFEDLO Cn1cc[nH+]c1C[C@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2C#N)C1 ZINC000122096250 551294608 /nfs/dbraw/zinc/29/46/08/551294608.db2.gz QNUJXUGRVFISPT-CYBMUJFWSA-N 1 2 378.885 2.589 20 30 GFEDLO Cn1cc[nH+]c1C[C@@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2C#N)C1 ZINC000122096040 551294667 /nfs/dbraw/zinc/29/46/67/551294667.db2.gz QNUJXUGRVFISPT-ZDUSSCGKSA-N 1 2 378.885 2.589 20 30 GFEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cc(O)ccc1Br ZINC000180589478 552230664 /nfs/dbraw/zinc/23/06/64/552230664.db2.gz OYMIMNWQABQGCF-GFCCVEGCSA-N 1 2 388.269 2.527 20 30 GFEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cc(O)ccc1Br ZINC000180589478 552230666 /nfs/dbraw/zinc/23/06/66/552230666.db2.gz OYMIMNWQABQGCF-GFCCVEGCSA-N 1 2 388.269 2.527 20 30 GFEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cc(Br)ccc1O ZINC000180584985 552230748 /nfs/dbraw/zinc/23/07/48/552230748.db2.gz VCTGODAZNAFOOX-GFCCVEGCSA-N 1 2 388.269 2.527 20 30 GFEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cc(Br)ccc1O ZINC000180584985 552230750 /nfs/dbraw/zinc/23/07/50/552230750.db2.gz VCTGODAZNAFOOX-GFCCVEGCSA-N 1 2 388.269 2.527 20 30 GFEDLO CC[C@@H](C)NC(=O)C[NH+]1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000181439011 552256413 /nfs/dbraw/zinc/25/64/13/552256413.db2.gz BPGUSRXQUGEKLI-PBHICJAKSA-N 1 2 393.329 2.546 20 30 GFEDLO C=CCN(Cc1cc(Br)ccc1F)C(=O)c1n[nH]c2c1C[NH2+]CC2 ZINC000188487479 552446290 /nfs/dbraw/zinc/44/62/90/552446290.db2.gz RCPAVBKCJFMSQD-UHFFFAOYSA-N 1 2 393.260 2.785 20 30 GFEDLO C[N@@H+](CC(=O)Nc1sccc1C#N)C[C@H](O)c1ccccc1Br ZINC000295364903 563243953 /nfs/dbraw/zinc/24/39/53/563243953.db2.gz PIGWMMLWHIXDPD-AWEZNQCLSA-N 1 2 394.294 2.986 20 30 GFEDLO C[N@H+](CC(=O)Nc1sccc1C#N)C[C@H](O)c1ccccc1Br ZINC000295364903 563243954 /nfs/dbraw/zinc/24/39/54/563243954.db2.gz PIGWMMLWHIXDPD-AWEZNQCLSA-N 1 2 394.294 2.986 20 30 GFEDLO N#Cc1ccc(S(=O)(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)s1 ZINC000373817746 563351629 /nfs/dbraw/zinc/35/16/29/563351629.db2.gz BXTPLLHMFZWERD-UHFFFAOYSA-N 1 2 379.482 2.655 20 30 GFEDLO N#Cc1ccc(S(=O)(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)s1 ZINC000373817746 563351632 /nfs/dbraw/zinc/35/16/32/563351632.db2.gz BXTPLLHMFZWERD-UHFFFAOYSA-N 1 2 379.482 2.655 20 30 GFEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)N=c3[nH]c4c(cccc4Br)s3)C[C@H]21 ZINC000329468652 563480407 /nfs/dbraw/zinc/48/04/07/563480407.db2.gz XMCDKFNXXWEOSP-MNOVXSKESA-N 1 2 397.298 2.619 20 30 GFEDLO C[N@H+]1CCO[C@H]2CN(C(=O)N=c3[nH]c4c(cccc4Br)s3)C[C@H]21 ZINC000329468652 563480409 /nfs/dbraw/zinc/48/04/09/563480409.db2.gz XMCDKFNXXWEOSP-MNOVXSKESA-N 1 2 397.298 2.619 20 30 GFEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]3CCCO3)CC2)c(Br)c1 ZINC000378482699 563508510 /nfs/dbraw/zinc/50/85/10/563508510.db2.gz GVXYYHLIJXUYLT-KRWDZBQOSA-N 1 2 392.297 2.534 20 30 GFEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@@H]3CCCO3)CC2)c(Br)c1 ZINC000378482699 563508511 /nfs/dbraw/zinc/50/85/11/563508511.db2.gz GVXYYHLIJXUYLT-KRWDZBQOSA-N 1 2 392.297 2.534 20 30 GFEDLO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1S(=O)(=O)c1cccc(Br)c1C#N ZINC000408115836 563545495 /nfs/dbraw/zinc/54/54/95/563545495.db2.gz QWDVQTPGFSXPPS-OLZOCXBDSA-N 1 2 398.326 2.568 20 30 GFEDLO C[C@@H]1C[N@H+]2CCCC[C@H]2CN1S(=O)(=O)c1cccc(Br)c1C#N ZINC000408115836 563545497 /nfs/dbraw/zinc/54/54/97/563545497.db2.gz QWDVQTPGFSXPPS-OLZOCXBDSA-N 1 2 398.326 2.568 20 30 GFEDLO CC[NH+](CC)[C@@H](CNS(=O)(=O)N(C)C[C@@H](C)C#N)c1ccccc1Cl ZINC000409536398 563564590 /nfs/dbraw/zinc/56/45/90/563564590.db2.gz QDCKUQUDZDYQOE-YOEHRIQHSA-N 1 2 386.949 2.649 20 30 GFEDLO Cc1oc(NC(=O)C[NH2+][C@@H](C)c2ncc(Br)cn2)c(C#N)c1C ZINC000432994351 563599570 /nfs/dbraw/zinc/59/95/70/563599570.db2.gz UTXATYOADYYQES-VIFPVBQESA-N 1 2 378.230 2.610 20 30 GFEDLO C=CCOc1ccc(C[N@@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)cc1Cl ZINC000435032979 563641230 /nfs/dbraw/zinc/64/12/30/563641230.db2.gz HTITWHDRCMAYTO-MRXNPFEDSA-N 1 2 384.929 2.905 20 30 GFEDLO C=CCOc1ccc(C[N@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)cc1Cl ZINC000435032979 563641234 /nfs/dbraw/zinc/64/12/34/563641234.db2.gz HTITWHDRCMAYTO-MRXNPFEDSA-N 1 2 384.929 2.905 20 30 GFEDLO C[C@@H](C#N)S(=O)(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000416380696 563820427 /nfs/dbraw/zinc/82/04/27/563820427.db2.gz AYXUKKVCKUOPJU-NSHDSACASA-N 1 2 376.309 2.789 20 30 GFEDLO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[N@H+](C)CC(C)(C)C#N ZINC000449341323 564182436 /nfs/dbraw/zinc/18/24/36/564182436.db2.gz SZZGBJCHZZJMIQ-GFCCVEGCSA-N 1 2 382.302 2.944 20 30 GFEDLO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[N@@H+](C)CC(C)(C)C#N ZINC000449341323 564182439 /nfs/dbraw/zinc/18/24/39/564182439.db2.gz SZZGBJCHZZJMIQ-GFCCVEGCSA-N 1 2 382.302 2.944 20 30 GFEDLO C[C@H](CCC#N)[NH+]1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000472764286 564232973 /nfs/dbraw/zinc/23/29/73/564232973.db2.gz BYKKDOIBDMDMKI-GFCCVEGCSA-N 1 2 376.309 2.992 20 30 GFEDLO Cc1c(C(=O)N[C@](C)(C#N)C[NH+](C)C)cnn1-c1cccc(Br)c1 ZINC000565369189 564278047 /nfs/dbraw/zinc/27/80/47/564278047.db2.gz YRBHPHZSLOTENQ-QGZVFWFLSA-N 1 2 390.285 2.517 20 30 GFEDLO C[C@H]1C[C@H](NS(=O)(=O)c2cc(Br)cc(C#N)c2)c2[nH+]ccn21 ZINC000580993303 564783231 /nfs/dbraw/zinc/78/32/31/564783231.db2.gz JMCGQVWYYNZUSH-ZANVPECISA-N 1 2 381.255 2.502 20 30 GFEDLO Cn1cc(C[NH+]2CCN(c3cc(Br)c(C#N)cc3F)CC2)cn1 ZINC000581142687 564789744 /nfs/dbraw/zinc/78/97/44/564789744.db2.gz QBRLGFXBZZWPPS-UHFFFAOYSA-N 1 2 378.249 2.516 20 30 GFEDLO Cc1cc(Br)cn2cc(CCNC(=O)N[C@H]3CCC[C@@H]3C#N)[nH+]c12 ZINC000461940550 564809459 /nfs/dbraw/zinc/80/94/59/564809459.db2.gz KPRBNTQQADIYHM-DOMZBBRYSA-N 1 2 390.285 2.939 20 30 GFEDLO Cc1cc(N2CC[C@H]([NH2+]C[C@H](C#N)CCC#N)C2=O)ccc1Br ZINC000581641147 564811439 /nfs/dbraw/zinc/81/14/39/564811439.db2.gz JLMICDBNUUPZHF-BBRMVZONSA-N 1 2 375.270 2.896 20 30 GFEDLO C[N@@H+]1CC[C@@H](NS(=O)(=O)CC2(C#N)CCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000584746873 565094699 /nfs/dbraw/zinc/09/46/99/565094699.db2.gz OLZOLUXDNOILAM-CVEARBPZSA-N 1 2 385.892 2.838 20 30 GFEDLO C[N@H+]1CC[C@@H](NS(=O)(=O)CC2(C#N)CCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000584746873 565094702 /nfs/dbraw/zinc/09/47/02/565094702.db2.gz OLZOLUXDNOILAM-CVEARBPZSA-N 1 2 385.892 2.838 20 30 GFEDLO C=CC[N@@H+](CCS(=O)(=O)c1ccc(Br)cc1)[C@@H](C)COC ZINC000661245502 565315940 /nfs/dbraw/zinc/31/59/40/565315940.db2.gz BQWDRZLMNAKNPC-ZDUSSCGKSA-N 1 2 376.316 2.746 20 30 GFEDLO C=CC[N@H+](CCS(=O)(=O)c1ccc(Br)cc1)[C@@H](C)COC ZINC000661245502 565315945 /nfs/dbraw/zinc/31/59/45/565315945.db2.gz BQWDRZLMNAKNPC-ZDUSSCGKSA-N 1 2 376.316 2.746 20 30 GFEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H]1c1ccc(Br)cc1OC ZINC000599572841 565689270 /nfs/dbraw/zinc/68/92/70/565689270.db2.gz HHIRFGWAQSQSIJ-CQSZACIVSA-N 1 2 396.285 2.606 20 30 GFEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1c1ccc(Br)cc1OC ZINC000599572841 565689274 /nfs/dbraw/zinc/68/92/74/565689274.db2.gz HHIRFGWAQSQSIJ-CQSZACIVSA-N 1 2 396.285 2.606 20 30 GFEDLO C=CCC[C@@H](O)C[NH2+][C@]1(C(=O)OC)CCc2cc(Br)ccc2C1 ZINC000599593224 565690743 /nfs/dbraw/zinc/69/07/43/565690743.db2.gz ARKUVFCBZNPTHF-SJLPKXTDSA-N 1 2 382.298 2.766 20 30 GFEDLO Cc1cc(NC(=O)C[NH+]2C[C@@H](C)N(CC#N)[C@H](C)C2)ccc1Br ZINC000602866125 565871646 /nfs/dbraw/zinc/87/16/46/565871646.db2.gz UVGUZTDISBAWLD-ZIAGYGMSSA-N 1 2 379.302 2.614 20 30 GFEDLO Cc1c(C(=O)C=Cc2c[nH+]c3ccccn23)cnn1-c1ccc(-c2nn[nH]n2)cc1 ZINC000737202439 599157329 /nfs/dbraw/zinc/15/73/29/599157329.db2.gz MLYQIMOGYVHQTH-MDZDMXLPSA-N 1 2 396.414 2.905 20 30 GFEDLO CN(C)S(=O)(=O)c1cccc(CO[NH+]=C(N)Cc2ccc(Cl)cc2)c1 ZINC000106067306 655101768 /nfs/dbraw/zinc/10/17/68/655101768.db2.gz QDQIBONVORHDSD-UHFFFAOYSA-N 1 2 381.885 2.622 20 30 GFEDLO C=C(Br)CNC(=O)N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000171433827 655151796 /nfs/dbraw/zinc/15/17/96/655151796.db2.gz RDPYVGKMELYUPZ-CQSZACIVSA-N 1 2 382.302 2.992 20 30 GFEDLO C#CC[N@@H+](CC/C=C/c1ccc(Br)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000117339325 655264505 /nfs/dbraw/zinc/26/45/05/655264505.db2.gz IREBBBXXZJKWGQ-NJELEJDNSA-N 1 2 382.323 2.975 20 30 GFEDLO C#CC[N@H+](CC/C=C/c1ccc(Br)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000117339325 655264506 /nfs/dbraw/zinc/26/45/06/655264506.db2.gz IREBBBXXZJKWGQ-NJELEJDNSA-N 1 2 382.323 2.975 20 30 GFEDLO N#Cc1cc(F)c(Nc2cnn(CC[NH+]3CCOCC3)c2)cc1Br ZINC000579578214 655501665 /nfs/dbraw/zinc/50/16/65/655501665.db2.gz YEMPSDVKJOZXJX-UHFFFAOYSA-N 1 2 394.248 2.732 20 30 GFEDLO N#Cc1nc(N(CCC[NH+]2CCOCC2)Cc2ccncc2)sc1Cl ZINC000596166760 655514418 /nfs/dbraw/zinc/51/44/18/655514418.db2.gz CBFOABRVDLYEJV-UHFFFAOYSA-N 1 2 377.901 2.792 20 30 GFEDLO N#Cc1ccc(NC(=S)NC[C@]2([NH+]3CCOCC3)CCSC2)cc1Cl ZINC000726477651 655535459 /nfs/dbraw/zinc/53/54/59/655535459.db2.gz TZNFFFFQBHXUMH-QGZVFWFLSA-N 1 2 396.969 2.706 20 30 GFEDLO N#Cc1cccc(N2CC[NH+](C[C@@H](O)c3cccc(Br)c3)CC2)n1 ZINC000760912171 655994581 /nfs/dbraw/zinc/99/45/81/655994581.db2.gz VLCWYAGCRBDHIX-QGZVFWFLSA-N 1 2 387.281 2.571 20 30 GFEDLO NC(=[NH+]OCC(=O)N1CCc2ccccc2C1)c1ccc(Br)cc1 ZINC000782947578 657195685 /nfs/dbraw/zinc/19/56/85/657195685.db2.gz BIFRZRZZQJHXAT-UHFFFAOYSA-N 1 2 388.265 2.671 20 30 GFEDLO C#CCOCCNC(=O)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000784540295 657315623 /nfs/dbraw/zinc/31/56/23/657315623.db2.gz DTOYEKJLHZBNMY-UHFFFAOYSA-N 1 2 384.307 2.513 20 30 GFEDLO C#CCn1ccc(C[N@H+](CCOC)CCOc2cccc(Br)c2)n1 ZINC000789323751 657837707 /nfs/dbraw/zinc/83/77/07/657837707.db2.gz RTBFHHUEVJOUEZ-UHFFFAOYSA-N 1 2 392.297 2.806 20 30 GFEDLO C#CCn1ccc(C[N@@H+](CCOC)CCOc2cccc(Br)c2)n1 ZINC000789323751 657837710 /nfs/dbraw/zinc/83/77/10/657837710.db2.gz RTBFHHUEVJOUEZ-UHFFFAOYSA-N 1 2 392.297 2.806 20 30 GFEDLO C#CCn1ccc(C[N@H+](CCOC)CCOc2ccccc2Br)n1 ZINC000789322570 657837726 /nfs/dbraw/zinc/83/77/26/657837726.db2.gz MNUVUXCPFFEFQP-UHFFFAOYSA-N 1 2 392.297 2.806 20 30 GFEDLO C#CCn1ccc(C[N@@H+](CCOC)CCOc2ccccc2Br)n1 ZINC000789322570 657837727 /nfs/dbraw/zinc/83/77/27/657837727.db2.gz MNUVUXCPFFEFQP-UHFFFAOYSA-N 1 2 392.297 2.806 20 30 GFEDLO CCS(=O)(=O)Nc1ccc(C(=O)/C=C/c2ncc(C[NH+](C)C)s2)cc1 ZINC000794708889 658599916 /nfs/dbraw/zinc/59/99/16/658599916.db2.gz UXNWEZBMGUSJNA-MDZDMXLPSA-N 1 2 379.507 2.862 20 30 GFEDLO N#CCOc1ccc(C[NH2+]Cc2ncc(I)s2)cc1 ZINC000796289170 658910557 /nfs/dbraw/zinc/91/05/57/658910557.db2.gz KDNGIMKCMDVXSD-UHFFFAOYSA-N 1 2 385.230 2.940 20 30 GFEDLO Brc1cc(C=NNCCCn2cc[nH+]c2)cc2c1OCCCO2 ZINC000848417913 661646191 /nfs/dbraw/zinc/64/61/91/661646191.db2.gz GQMRUEJPLFVWKW-UHFFFAOYSA-N 1 2 379.258 2.821 20 30 GFEDLO C#C[C@@H]1CCC[N@@H+](CN2C(=O)N[C@](C)(c3ccccc3Br)C2=O)C1 ZINC000848492650 661655728 /nfs/dbraw/zinc/65/57/28/661655728.db2.gz HYYUEAWGGCCGBD-FZKQIMNGSA-N 1 2 390.281 2.519 20 30 GFEDLO C#C[C@@H]1CCC[N@H+](CN2C(=O)N[C@](C)(c3ccccc3Br)C2=O)C1 ZINC000848492650 661655736 /nfs/dbraw/zinc/65/57/36/661655736.db2.gz HYYUEAWGGCCGBD-FZKQIMNGSA-N 1 2 390.281 2.519 20 30 GFEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CSCc2ccc(Br)cc21 ZINC000855734789 662005731 /nfs/dbraw/zinc/00/57/31/662005731.db2.gz FCTCKUNBSCOFNA-HOTGVXAUSA-N 1 2 379.323 2.951 20 30 GFEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CSCc2ccc(Br)cc21 ZINC000855734789 662005735 /nfs/dbraw/zinc/00/57/35/662005735.db2.gz FCTCKUNBSCOFNA-HOTGVXAUSA-N 1 2 379.323 2.951 20 30 GFEDLO C#CCC1(O)CC[NH+](Cc2nnc(-c3ccc(Br)s3)o2)CC1 ZINC000880478060 662960772 /nfs/dbraw/zinc/96/07/72/662960772.db2.gz RSWQCMAITXEZPI-UHFFFAOYSA-N 1 2 382.283 2.911 20 30 GFEDLO C[N@@H+]1CCC[C@@H]1c1cc(C(=O)N[C@@H](C#N)c2ccccc2Br)[nH]n1 ZINC000900699576 663719857 /nfs/dbraw/zinc/71/98/57/663719857.db2.gz MDTRHGPLPIEAOL-JKSUJKDBSA-N 1 2 388.269 2.934 20 30 GFEDLO C[N@H+]1CCC[C@@H]1c1cc(C(=O)N[C@@H](C#N)c2ccccc2Br)[nH]n1 ZINC000900699576 663719860 /nfs/dbraw/zinc/71/98/60/663719860.db2.gz MDTRHGPLPIEAOL-JKSUJKDBSA-N 1 2 388.269 2.934 20 30 GFEDLO N#Cc1cc(S(=O)(=O)N2CCC(c3[nH]cc[nH+]3)CC2)ccc1Br ZINC000907025658 663994113 /nfs/dbraw/zinc/99/41/13/663994113.db2.gz FDZFPEIKHQFWEH-UHFFFAOYSA-N 1 2 395.282 2.612 20 30 GFEDLO N#Cc1cc(Cl)cc(C[NH+]2CCC(S(=O)(=O)N3CCCCC3)CC2)c1 ZINC000933085956 664849427 /nfs/dbraw/zinc/84/94/27/664849427.db2.gz KMFMOEHRRJVJLL-UHFFFAOYSA-N 1 2 381.929 2.992 20 30 GFEDLO C[C@H](C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)[NH+]1CCSCC1 ZINC000542070827 532764225 /nfs/dbraw/zinc/76/42/25/532764225.db2.gz GYRFOXOZJFRYDK-GFCCVEGCSA-N 1 2 375.885 2.773 20 30 GFEDLO Cn1cc[nH+]c1C[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)C1 ZINC000122033747 551293812 /nfs/dbraw/zinc/29/38/12/551293812.db2.gz CFERJHHJUVVMQE-CYBMUJFWSA-N 1 2 378.885 2.589 20 30 GFEDLO Cn1cc[nH+]c1C[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2C#N)C1 ZINC000122121528 551295044 /nfs/dbraw/zinc/29/50/44/551295044.db2.gz UFESPTDYWFCZRU-CYBMUJFWSA-N 1 2 378.885 2.589 20 30 GFEDLO N#Cc1cc(Br)cc(S(=O)(=O)N2CCC(n3cc[nH+]c3)CC2)c1 ZINC000155167193 551493617 /nfs/dbraw/zinc/49/36/17/551493617.db2.gz BIINYUXGAPIBMA-UHFFFAOYSA-N 1 2 395.282 2.543 20 30 GFEDLO N#Cc1cc(Cl)ccc1S(=O)(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000156495539 551523936 /nfs/dbraw/zinc/52/39/36/551523936.db2.gz PNBIBDCORICFRA-UHFFFAOYSA-N 1 2 376.869 2.554 20 30 GFEDLO CC(C)c1[nH+]c2c(n1C)CCN(S(=O)(=O)c1ccc(Cl)cc1C#N)C2 ZINC000157540336 551539344 /nfs/dbraw/zinc/53/93/44/551539344.db2.gz ZNRVSKZYDOKPPQ-UHFFFAOYSA-N 1 2 378.885 2.816 20 30 GFEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cc(Br)cs1 ZINC000176366749 552139447 /nfs/dbraw/zinc/13/94/47/552139447.db2.gz NALWOIHMKILHLA-LLVKDONJSA-N 1 2 378.299 2.883 20 30 GFEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cc(Br)cs1 ZINC000176366749 552139451 /nfs/dbraw/zinc/13/94/51/552139451.db2.gz NALWOIHMKILHLA-LLVKDONJSA-N 1 2 378.299 2.883 20 30 GFEDLO CN(CCC#N)C(=O)CC[N@@H+]1CCO[C@H](c2ccc(F)c(Br)c2)C1 ZINC000185279342 552359666 /nfs/dbraw/zinc/35/96/66/552359666.db2.gz SAIPCLBZEXRJII-INIZCTEOSA-N 1 2 398.276 2.724 20 30 GFEDLO CN(CCC#N)C(=O)CC[N@H+]1CCO[C@H](c2ccc(F)c(Br)c2)C1 ZINC000185279342 552359667 /nfs/dbraw/zinc/35/96/67/552359667.db2.gz SAIPCLBZEXRJII-INIZCTEOSA-N 1 2 398.276 2.724 20 30 GFEDLO CC[N@@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)C[C@@H](O)C(F)(F)F ZINC000189519702 552473598 /nfs/dbraw/zinc/47/35/98/552473598.db2.gz AVZONQVAEQCVIR-CQSZACIVSA-N 1 2 377.794 2.832 20 30 GFEDLO CC[N@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)C[C@@H](O)C(F)(F)F ZINC000189519702 552473602 /nfs/dbraw/zinc/47/36/02/552473602.db2.gz AVZONQVAEQCVIR-CQSZACIVSA-N 1 2 377.794 2.832 20 30 GFEDLO Cc1cc(S(=O)(=O)N2CC[NH2+]C[C@@H]2c2ccccc2Cl)ccc1C#N ZINC000262351337 553169745 /nfs/dbraw/zinc/16/97/45/553169745.db2.gz UOMMVIJPMWLRQH-GOSISDBHSA-N 1 2 375.881 2.855 20 30 GFEDLO N#C[C@H]1CC[C@H]([NH+]2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)C1 ZINC000278564345 563261704 /nfs/dbraw/zinc/26/17/04/563261704.db2.gz IREJUGHTOCACNY-STQMWFEESA-N 1 2 388.320 2.992 20 30 GFEDLO N#Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)cc1Br ZINC000278921259 563276018 /nfs/dbraw/zinc/27/60/18/563276018.db2.gz WOVLZWLFPVTCPV-AWEZNQCLSA-N 1 2 395.282 2.960 20 30 GFEDLO COc1cccc(OCC[NH+]2CCN(c3snc(Cl)c3C#N)CC2)c1 ZINC000301704126 563411127 /nfs/dbraw/zinc/41/11/27/563411127.db2.gz HRGIZZWODMRJKM-UHFFFAOYSA-N 1 2 378.885 2.878 20 30 GFEDLO COC(=O)c1cnc([C@@H](C)[NH2+]CC(=O)Nc2ccc(C#N)c(Cl)c2)s1 ZINC000425488304 563424897 /nfs/dbraw/zinc/42/48/97/563424897.db2.gz MPPLPLKRAUNZMW-SECBINFHSA-N 1 2 378.841 2.744 20 30 GFEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)Nc3cccc4cc(Br)cnc43)C[C@@H]21 ZINC000329242147 563476544 /nfs/dbraw/zinc/47/65/44/563476544.db2.gz OCGNLCQHSMPSQR-LSDHHAIUSA-N 1 2 391.269 2.558 20 30 GFEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)Nc3cccc4cc(Br)cnc43)C[C@@H]21 ZINC000329242147 563476545 /nfs/dbraw/zinc/47/65/45/563476545.db2.gz OCGNLCQHSMPSQR-LSDHHAIUSA-N 1 2 391.269 2.558 20 30 GFEDLO Cc1cc(Br)cn2cc(CNC(=O)N3CCO[C@H](C4CC4)C3)[nH+]c12 ZINC000330170113 563497698 /nfs/dbraw/zinc/49/76/98/563497698.db2.gz DNCHNCVRIRHNGY-HNNXBMFYSA-N 1 2 393.285 2.930 20 30 GFEDLO CC(C)(C[NH+]1CCOCC1)NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000331349540 563546395 /nfs/dbraw/zinc/54/63/95/563546395.db2.gz NKZDVBBCULNRIT-UHFFFAOYSA-N 1 2 386.246 2.773 20 30 GFEDLO C[C@H]([NH2+][C@@H]1CCC[C@@H]1C#N)C(=O)Nc1ccc(I)cc1 ZINC000331356914 563547307 /nfs/dbraw/zinc/54/73/07/563547307.db2.gz SNQPFEGJPKGZFX-MISXGVKJSA-N 1 2 383.233 2.900 20 30 GFEDLO CC(C)N1C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3Br)CC[C@@H]21 ZINC000286152972 563550427 /nfs/dbraw/zinc/55/04/27/563550427.db2.gz YEUJECFXRJARHX-CVEARBPZSA-N 1 2 377.286 2.697 20 30 GFEDLO CC(C)N1C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3Br)CC[C@@H]21 ZINC000286152972 563550431 /nfs/dbraw/zinc/55/04/31/563550431.db2.gz YEUJECFXRJARHX-CVEARBPZSA-N 1 2 377.286 2.697 20 30 GFEDLO C[C@H]([NH2+][C@@H]1CCN(c2ccc(C#N)cc2)C1=O)c1ncc(Br)cn1 ZINC000431107847 563553705 /nfs/dbraw/zinc/55/37/05/563553705.db2.gz SKFZLESDEQKJJN-XHDPSFHLSA-N 1 2 386.253 2.567 20 30 GFEDLO C[C@H](CCC#N)[NH+]1CCN(C(=O)c2ccccc2I)CC1 ZINC000411181894 563608422 /nfs/dbraw/zinc/60/84/22/563608422.db2.gz GTPBUGQBURLADK-CYBMUJFWSA-N 1 2 397.260 2.741 20 30 GFEDLO Cn1ccnc1[C@H](O)C1CC[NH+](Cc2ccc(Br)cc2C#N)CC1 ZINC000287857593 563620677 /nfs/dbraw/zinc/62/06/77/563620677.db2.gz ROMKRSAVKQJLAG-QGZVFWFLSA-N 1 2 389.297 3.000 20 30 GFEDLO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)c1nc(C(F)(F)F)cs1 ZINC000289581584 563679714 /nfs/dbraw/zinc/67/97/14/563679714.db2.gz ZCHXZQOJOSKVDQ-SECBINFHSA-N 1 2 390.412 2.553 20 30 GFEDLO COC(=O)C[C@H]1CSCC[N@@H+]1[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000438591618 563707791 /nfs/dbraw/zinc/70/77/91/563707791.db2.gz LWRAZQVPYNYUKM-RISCZKNCSA-N 1 2 381.885 2.519 20 30 GFEDLO COC(=O)C[C@H]1CSCC[N@H+]1[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000438591618 563707795 /nfs/dbraw/zinc/70/77/95/563707795.db2.gz LWRAZQVPYNYUKM-RISCZKNCSA-N 1 2 381.885 2.519 20 30 GFEDLO C[N@H+](CCC#N)C[C@@H](O)CSc1nccn1-c1ccc(Br)cc1 ZINC000414090377 563718983 /nfs/dbraw/zinc/71/89/83/563718983.db2.gz CBNGNUJAJKLZTG-OAHLLOKOSA-N 1 2 395.326 2.933 20 30 GFEDLO C[N@@H+](CCC#N)C[C@@H](O)CSc1nccn1-c1ccc(Br)cc1 ZINC000414090377 563718986 /nfs/dbraw/zinc/71/89/86/563718986.db2.gz CBNGNUJAJKLZTG-OAHLLOKOSA-N 1 2 395.326 2.933 20 30 GFEDLO COc1cc(C[N@H+](C)CC(=O)Nc2ccc(Br)cn2)ccc1C#N ZINC000442885132 563782836 /nfs/dbraw/zinc/78/28/36/563782836.db2.gz MGHAKWNPPCIDRY-UHFFFAOYSA-N 1 2 389.253 2.795 20 30 GFEDLO COc1cc(C[N@@H+](C)CC(=O)Nc2ccc(Br)cn2)ccc1C#N ZINC000442885132 563782839 /nfs/dbraw/zinc/78/28/39/563782839.db2.gz MGHAKWNPPCIDRY-UHFFFAOYSA-N 1 2 389.253 2.795 20 30 GFEDLO Cc1csc(=O)n1CC[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000471006007 564182911 /nfs/dbraw/zinc/18/29/11/564182911.db2.gz IUULGULLMYCPND-QGZVFWFLSA-N 1 2 376.913 2.754 20 30 GFEDLO Cc1nn(C)c(N2CC[NH+](Cc3cscc3Br)CC2)c1C#N ZINC000564304009 564227818 /nfs/dbraw/zinc/22/78/18/564227818.db2.gz CNJNHZINYJNWNQ-UHFFFAOYSA-N 1 2 380.315 2.746 20 30 GFEDLO Cc1cc[nH+]cc1N1CCN(C(=O)c2cccc(C#N)c2Br)CC1 ZINC000451436818 564313375 /nfs/dbraw/zinc/31/33/75/564313375.db2.gz XAICTDYODNBKHJ-UHFFFAOYSA-N 1 2 385.265 2.987 20 30 GFEDLO Cn1cc[nH+]c1CN1CCC[C@@H](Nc2ccc(C#N)cc2Br)C1=O ZINC000543051203 564336099 /nfs/dbraw/zinc/33/60/99/564336099.db2.gz PHJPMZSIPPSFGE-OAHLLOKOSA-N 1 2 388.269 2.657 20 30 GFEDLO Cn1cc[nH+]c1CN1CCC[C@H](Nc2ccc(C#N)cc2Br)C1=O ZINC000543051201 564336374 /nfs/dbraw/zinc/33/63/74/564336374.db2.gz PHJPMZSIPPSFGE-HNNXBMFYSA-N 1 2 388.269 2.657 20 30 GFEDLO C=CCOc1c(Br)cc(C[NH+]2CC(C)(C(N)=O)C2)cc1OCC ZINC000567614552 564380756 /nfs/dbraw/zinc/38/07/56/564380756.db2.gz ZCHYHHVGDBKITJ-UHFFFAOYSA-N 1 2 383.286 2.720 20 30 GFEDLO Cc1cc(Br)cn2cc(CNC(=O)COc3ccc(C#N)cc3)[nH+]c12 ZINC000546821538 564469629 /nfs/dbraw/zinc/46/96/29/564469629.db2.gz YZWZXMQCEJBFFI-UHFFFAOYSA-N 1 2 399.248 2.972 20 30 GFEDLO N#Cc1ccc(CNC(=O)C[NH2+][C@H](CO)c2c(Cl)cccc2Cl)cc1 ZINC000483227825 564561221 /nfs/dbraw/zinc/56/12/21/564561221.db2.gz CAWDBITYACFZHS-MRXNPFEDSA-N 1 2 378.259 2.804 20 30 GFEDLO C[C@@H]1C[C@H](NS(=O)(=O)c2cccc(Br)c2C#N)c2[nH+]ccn21 ZINC000520730674 564611250 /nfs/dbraw/zinc/61/12/50/564611250.db2.gz GMRPYMMLYVLYJJ-SKDRFNHKSA-N 1 2 381.255 2.502 20 30 GFEDLO C[N@H+](CC(=O)NC1(C#N)CCC1)[C@H]1CCOc2ccc(Br)cc21 ZINC000527377875 564742206 /nfs/dbraw/zinc/74/22/06/564742206.db2.gz XLDPJMPXJTZGIB-AWEZNQCLSA-N 1 2 378.270 2.767 20 30 GFEDLO C[N@@H+](CC(=O)NC1(C#N)CCC1)[C@H]1CCOc2ccc(Br)cc21 ZINC000527377875 564742208 /nfs/dbraw/zinc/74/22/08/564742208.db2.gz XLDPJMPXJTZGIB-AWEZNQCLSA-N 1 2 378.270 2.767 20 30 GFEDLO CC(C)Cn1cc[nH+]c1CNS(=O)(=O)c1cccc(Br)c1C#N ZINC000553871999 564742741 /nfs/dbraw/zinc/74/27/41/564742741.db2.gz OUXNKJLWPYUSBV-UHFFFAOYSA-N 1 2 397.298 2.652 20 30 GFEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)C1=O ZINC000499986305 564942267 /nfs/dbraw/zinc/94/22/67/564942267.db2.gz IHNYXMMAHGVIHN-INIZCTEOSA-N 1 2 384.307 2.671 20 30 GFEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)C1=O ZINC000499986305 564942269 /nfs/dbraw/zinc/94/22/69/564942269.db2.gz IHNYXMMAHGVIHN-INIZCTEOSA-N 1 2 384.307 2.671 20 30 GFEDLO C[N@H+](CCn1cc(Br)cn1)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000561792071 565009670 /nfs/dbraw/zinc/00/96/70/565009670.db2.gz LIJSLZRCPDUXIA-UHFFFAOYSA-N 1 2 387.241 2.699 20 30 GFEDLO C[N@@H+](CCn1cc(Br)cn1)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000561792071 565009674 /nfs/dbraw/zinc/00/96/74/565009674.db2.gz LIJSLZRCPDUXIA-UHFFFAOYSA-N 1 2 387.241 2.699 20 30 GFEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCSC[C@@H]1CCO ZINC000470218254 565041265 /nfs/dbraw/zinc/04/12/65/565041265.db2.gz CYGRQMWVTUBBCS-GJZGRUSLSA-N 1 2 379.551 2.677 20 30 GFEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCSC[C@@H]1CCO ZINC000470218254 565041268 /nfs/dbraw/zinc/04/12/68/565041268.db2.gz CYGRQMWVTUBBCS-GJZGRUSLSA-N 1 2 379.551 2.677 20 30 GFEDLO N#Cc1ccc(Br)cc1S(=O)(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591324591 565223854 /nfs/dbraw/zinc/22/38/54/565223854.db2.gz QTOMEQSMLRYILM-CQSZACIVSA-N 1 2 395.282 2.543 20 30 GFEDLO CC(=O)NCC[N@H+](Cc1ccc(Br)s1)Cc1ccnc(C#N)c1 ZINC000619724586 565356416 /nfs/dbraw/zinc/35/64/16/565356416.db2.gz GYXADQDSTCOYQP-UHFFFAOYSA-N 1 2 393.310 2.916 20 30 GFEDLO CC(=O)NCC[N@@H+](Cc1ccc(Br)s1)Cc1ccnc(C#N)c1 ZINC000619724586 565356421 /nfs/dbraw/zinc/35/64/21/565356421.db2.gz GYXADQDSTCOYQP-UHFFFAOYSA-N 1 2 393.310 2.916 20 30 GFEDLO N#CCCN(C(=O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O)c1cccc(Cl)c1 ZINC000599632124 565693482 /nfs/dbraw/zinc/69/34/82/565693482.db2.gz RKALQWLTSAAZPT-YPBQGGFRSA-N 1 2 379.913 2.572 20 30 GFEDLO N#CCCN(C(=O)C[N@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O)c1cccc(Cl)c1 ZINC000599632124 565693490 /nfs/dbraw/zinc/69/34/90/565693490.db2.gz RKALQWLTSAAZPT-YPBQGGFRSA-N 1 2 379.913 2.572 20 30 GFEDLO N#CC1(C(=O)Nc2cc(N3CCOCC3)c(Br)c[nH+]2)CC2(CC2)C1 ZINC000601621067 565795698 /nfs/dbraw/zinc/79/56/98/565795698.db2.gz KNSVLJDGEZVIDP-UHFFFAOYSA-N 1 2 391.269 2.703 20 30 GFEDLO Cn1cc[nH+]c1[C@H](NCc1ccc(Br)cc1C#N)C(C)(C)CO ZINC000602880640 565873060 /nfs/dbraw/zinc/87/30/60/565873060.db2.gz HONSCIAJFCXUMZ-HNNXBMFYSA-N 1 2 377.286 2.904 20 30 GFEDLO N#Cc1cccc(S(=O)(=O)CC[NH+]2CCC(Cc3nccs3)CC2)c1 ZINC000602953906 565876327 /nfs/dbraw/zinc/87/63/27/565876327.db2.gz FAEFWBQKVHKAGG-UHFFFAOYSA-N 1 2 375.519 2.743 20 30 GFEDLO C=CCCn1cc(CN2CC[NH+](Cc3ccc(Br)cc3)CC2)nn1 ZINC000653571135 565972708 /nfs/dbraw/zinc/97/27/08/565972708.db2.gz YZAHWYIPPDSKHA-UHFFFAOYSA-N 1 2 390.329 2.935 20 30 GFEDLO Cc1c(C(=O)C=Cc2c[nH+]c3ccccn23)cnn1-c1ccc(-c2nn[nH]n2)cc1 ZINC000737202434 599157614 /nfs/dbraw/zinc/15/76/14/599157614.db2.gz MLYQIMOGYVHQTH-KTKRTIGZSA-N 1 2 396.414 2.905 20 30 GFEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)Cc1ccc(-c2nn[nH]n2)cc1OC ZINC000823919302 608355500 /nfs/dbraw/zinc/35/55/00/608355500.db2.gz BOXLDHGZJSAZSQ-UHFFFAOYSA-N 1 2 380.408 2.972 20 30 GFEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)Cc1ccc(-c2nn[nH]n2)cc1OC ZINC000823919302 608355502 /nfs/dbraw/zinc/35/55/02/608355502.db2.gz BOXLDHGZJSAZSQ-UHFFFAOYSA-N 1 2 380.408 2.972 20 30 GFEDLO C#C[C@@H](NC(=O)NC(C)(C)C[NH+]1CCOCC1)c1ccc(Br)cc1 ZINC000820612231 660300021 /nfs/dbraw/zinc/30/00/21/660300021.db2.gz SNKNNZUXODVHCR-MRXNPFEDSA-N 1 2 394.313 2.533 20 30 GFEDLO COc1ccc(Br)cc1CN(CCC#N)CC[NH+]1CCOCC1 ZINC000123482989 654757335 /nfs/dbraw/zinc/75/73/35/654757335.db2.gz CWAHHIIYBNZVLR-UHFFFAOYSA-N 1 2 382.302 2.506 20 30 GFEDLO C#CC[N@@H+](CCN1CCCC1=O)[C@H]1CCOc2ccc(Br)cc21 ZINC000733195964 655608990 /nfs/dbraw/zinc/60/89/90/655608990.db2.gz YYAIQJNTWIPOIQ-INIZCTEOSA-N 1 2 377.282 2.830 20 30 GFEDLO C#CC[N@H+](CCN1CCCC1=O)[C@H]1CCOc2ccc(Br)cc21 ZINC000733195964 655608992 /nfs/dbraw/zinc/60/89/92/655608992.db2.gz YYAIQJNTWIPOIQ-INIZCTEOSA-N 1 2 377.282 2.830 20 30 GFEDLO C#CCOc1ccc(Br)cc1CNc1ccc(N(C)CCO)c[nH+]1 ZINC000763488549 656084402 /nfs/dbraw/zinc/08/44/02/656084402.db2.gz YAPNALBQYJIISD-UHFFFAOYSA-N 1 2 390.281 2.897 20 30 GFEDLO C=C(C)C[N@@H+](C)Cc1cccc(Br)c1OCCS(C)(=O)=O ZINC000785530535 657372762 /nfs/dbraw/zinc/37/27/62/657372762.db2.gz XOSLPNAXTXODNO-UHFFFAOYSA-N 1 2 376.316 2.880 20 30 GFEDLO C=C(C)C[N@H+](C)Cc1cccc(Br)c1OCCS(C)(=O)=O ZINC000785530535 657372769 /nfs/dbraw/zinc/37/27/69/657372769.db2.gz XOSLPNAXTXODNO-UHFFFAOYSA-N 1 2 376.316 2.880 20 30 GFEDLO CN(C)S(=O)(=O)c1ccccc1NN=Cc1cc(-n2cc[nH+]c2)cs1 ZINC000793192090 658368731 /nfs/dbraw/zinc/36/87/31/658368731.db2.gz RUHKXLNKFQGDPR-UHFFFAOYSA-N 1 2 375.479 2.630 20 30 GFEDLO COCCN(C)c1ccc(C=[NH+]Nc2cc(CO)ccc2Br)cn1 ZINC000841655274 661307367 /nfs/dbraw/zinc/30/73/67/661307367.db2.gz SVXFAGFBUSGEPB-UHFFFAOYSA-N 1 2 393.285 2.865 20 30 GFEDLO Brc1cc(C=NNCCCn2cc[nH+]c2)[nH]c1Br ZINC000853370591 661888087 /nfs/dbraw/zinc/88/80/87/661888087.db2.gz QZIUUDAPEDSNCK-UHFFFAOYSA-N 1 2 375.068 2.750 20 30 GFEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cc(C(=O)OC)c(Br)cc1C ZINC000861717071 662255744 /nfs/dbraw/zinc/25/57/44/662255744.db2.gz WTEQJFHFPKIAEK-HNNXBMFYSA-N 1 2 379.254 2.580 20 30 GFEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(C(=O)OC)c(Br)cc1C ZINC000861717071 662255749 /nfs/dbraw/zinc/25/57/49/662255749.db2.gz WTEQJFHFPKIAEK-HNNXBMFYSA-N 1 2 379.254 2.580 20 30 GFEDLO C#CCC1(O)CC[NH+](Cc2nc(Cc3cccc(Br)c3)no2)CC1 ZINC000880479208 662960718 /nfs/dbraw/zinc/96/07/18/662960718.db2.gz MKOCEHNDJAXDHI-UHFFFAOYSA-N 1 2 390.281 2.773 20 30 GFEDLO CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2cc(C#N)ccn2)s1 ZINC000902775994 663767355 /nfs/dbraw/zinc/76/73/55/663767355.db2.gz JEJCEWOZFAAMFC-ZDUSSCGKSA-N 1 2 378.523 2.896 20 30 GFEDLO N#Cc1ccc(OCC[NH2+][C@H](C(N)=O)c2ccc(Br)cc2F)cc1 ZINC000174211386 552102487 /nfs/dbraw/zinc/10/24/87/552102487.db2.gz XTUMGDGEXHZCJX-INIZCTEOSA-N 1 2 392.228 2.655 20 30 GFEDLO Cc1nc(CN2CCC[N@H+](Cc3ccc(C#N)cc3Br)CC2)no1 ZINC000181099062 552246313 /nfs/dbraw/zinc/24/63/13/552246313.db2.gz NFYQFUROMZFZNS-UHFFFAOYSA-N 1 2 390.285 2.720 20 30 GFEDLO Cc1nc(CN2CCC[N@@H+](Cc3ccc(C#N)cc3Br)CC2)no1 ZINC000181099062 552246314 /nfs/dbraw/zinc/24/63/14/552246314.db2.gz NFYQFUROMZFZNS-UHFFFAOYSA-N 1 2 390.285 2.720 20 30 GFEDLO C[C@H]1C[NH+]=C(N2CCN(C(=O)c3ccc(Br)cc3C#N)CC2)S1 ZINC000295306998 563240973 /nfs/dbraw/zinc/24/09/73/563240973.db2.gz NWVQFJBJQKTTSE-NSHDSACASA-N 1 2 393.310 2.570 20 30 GFEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCCN(c2nccs2)CC1 ZINC000299239339 563379083 /nfs/dbraw/zinc/37/90/83/563379083.db2.gz LMHGRXFUVWZLON-UHFFFAOYSA-N 1 2 375.885 2.819 20 30 GFEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCCN(c2nccs2)CC1 ZINC000299239339 563379084 /nfs/dbraw/zinc/37/90/84/563379084.db2.gz LMHGRXFUVWZLON-UHFFFAOYSA-N 1 2 375.885 2.819 20 30 GFEDLO Cc1cc(NCCC(=O)N(C)Cc2ccccc2Br)c(C#N)c[nH+]1 ZINC000425226977 563413593 /nfs/dbraw/zinc/41/35/93/563413593.db2.gz NYPRVDQLRROSTJ-UHFFFAOYSA-N 1 2 387.281 2.907 20 30 GFEDLO O=C(NCCn1cc(Br)cn1)N1CC[NH+](C2CCCCC2)CC1 ZINC000329702211 563486076 /nfs/dbraw/zinc/48/60/76/563486076.db2.gz HYUOQOPLBKFXNJ-UHFFFAOYSA-N 1 2 384.322 2.510 20 30 GFEDLO O=C(N[C@@H]1CCN(c2ccc(Br)cc2)C1)N1CCn2cc[nH+]c2C1 ZINC000329853054 563489995 /nfs/dbraw/zinc/48/99/95/563489995.db2.gz RVNJJFQTYIYFRQ-CQSZACIVSA-N 1 2 390.285 2.654 20 30 GFEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCSC[C@H](C(=O)OC)C1 ZINC000412090957 563647857 /nfs/dbraw/zinc/64/78/57/563647857.db2.gz YLPOERPEQSAPHP-CQSZACIVSA-N 1 2 380.535 2.741 20 30 GFEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCSC[C@H](C(=O)OC)C1 ZINC000412090957 563647859 /nfs/dbraw/zinc/64/78/59/563647859.db2.gz YLPOERPEQSAPHP-CQSZACIVSA-N 1 2 380.535 2.741 20 30 GFEDLO C[N@H+](CCC#N)C[C@H](O)COc1c(Br)cccc1Br ZINC000414145128 563721139 /nfs/dbraw/zinc/72/11/39/563721139.db2.gz PARJHUKRUAHLMT-JTQLQIEISA-N 1 2 392.091 2.797 20 30 GFEDLO C[N@@H+](CCC#N)C[C@H](O)COc1c(Br)cccc1Br ZINC000414145128 563721140 /nfs/dbraw/zinc/72/11/40/563721140.db2.gz PARJHUKRUAHLMT-JTQLQIEISA-N 1 2 392.091 2.797 20 30 GFEDLO N#Cc1ccc(Br)c(C[N@@H+]2CCCN(C(=O)[C@@H]3CCCO3)CC2)c1 ZINC000365191163 563776275 /nfs/dbraw/zinc/77/62/75/563776275.db2.gz JXQOMBRGLAAHCY-KRWDZBQOSA-N 1 2 392.297 2.534 20 30 GFEDLO N#Cc1ccc(Br)c(C[N@H+]2CCCN(C(=O)[C@@H]3CCCO3)CC2)c1 ZINC000365191163 563776276 /nfs/dbraw/zinc/77/62/76/563776276.db2.gz JXQOMBRGLAAHCY-KRWDZBQOSA-N 1 2 392.297 2.534 20 30 GFEDLO CC(C)Cn1cc[nH+]c1CNS(=O)(=O)c1cc(Br)ccc1C#N ZINC000416453014 563830854 /nfs/dbraw/zinc/83/08/54/563830854.db2.gz QGWDUMRVIUGAPD-UHFFFAOYSA-N 1 2 397.298 2.652 20 30 GFEDLO C=CCOc1c(Br)cc(C[N@@H+]2CCOC[C@@H](O)C2)cc1OCC ZINC000449416703 564185497 /nfs/dbraw/zinc/18/54/97/564185497.db2.gz VHJNDCASHVQDFB-AWEZNQCLSA-N 1 2 386.286 2.606 20 30 GFEDLO C=CCOc1c(Br)cc(C[N@H+]2CCOC[C@@H](O)C2)cc1OCC ZINC000449416703 564185503 /nfs/dbraw/zinc/18/55/03/564185503.db2.gz VHJNDCASHVQDFB-AWEZNQCLSA-N 1 2 386.286 2.606 20 30 GFEDLO N#Cc1ccc(CS(=O)(=O)N2CC[NH2+]C[C@@H]2c2ccccc2Cl)cc1 ZINC000565433809 564280445 /nfs/dbraw/zinc/28/04/45/564280445.db2.gz VBLJSLBMGSRIAK-GOSISDBHSA-N 1 2 375.881 2.688 20 30 GFEDLO N#Cc1ccncc1N1CCN(Cc2c[nH+]c3ccc(Br)cn23)CC1 ZINC000567444464 564371984 /nfs/dbraw/zinc/37/19/84/564371984.db2.gz LJYONYOUOZPQCJ-UHFFFAOYSA-N 1 2 397.280 2.686 20 30 GFEDLO Cc1ccc(Cn2cc(I)c(C)c(C#N)c2=O)c(C)[nH+]1 ZINC000554939560 564778042 /nfs/dbraw/zinc/77/80/42/564778042.db2.gz HWXAOVYRHGYVCZ-UHFFFAOYSA-N 1 2 379.201 2.693 20 30 GFEDLO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C[C@@H]1C ZINC000497985964 564883095 /nfs/dbraw/zinc/88/30/95/564883095.db2.gz WUADLRSHMYXEBV-NWDGAFQWSA-N 1 2 375.416 2.680 20 30 GFEDLO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C[C@@H]1C ZINC000497985964 564883097 /nfs/dbraw/zinc/88/30/97/564883097.db2.gz WUADLRSHMYXEBV-NWDGAFQWSA-N 1 2 375.416 2.680 20 30 GFEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH+](CCc3cccs3)CC2)c(Cl)c1 ZINC000503449069 565019550 /nfs/dbraw/zinc/01/95/50/565019550.db2.gz PKJQOKDMEQQHJA-UHFFFAOYSA-N 1 2 395.937 2.822 20 30 GFEDLO C[C@H](c1ncc(Br)cn1)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000588197872 565131422 /nfs/dbraw/zinc/13/14/22/565131422.db2.gz YHDJNZIYNURXEF-CQSZACIVSA-N 1 2 386.297 2.990 20 30 GFEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000639160391 565230745 /nfs/dbraw/zinc/23/07/45/565230745.db2.gz CLGQSNSIZCEZFF-UHFFFAOYSA-N 1 2 384.885 2.651 20 30 GFEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000639160391 565230753 /nfs/dbraw/zinc/23/07/53/565230753.db2.gz CLGQSNSIZCEZFF-UHFFFAOYSA-N 1 2 384.885 2.651 20 30 GFEDLO C=CCOc1ccc(Br)cc1NC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000640266240 565293187 /nfs/dbraw/zinc/29/31/87/565293187.db2.gz NHEHKLHESMTKCN-LBPRGKRZSA-N 1 2 377.242 2.957 20 30 GFEDLO C[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccsc2C#N)[C@@H]1c1ccc(Cl)cc1 ZINC000593571540 565342903 /nfs/dbraw/zinc/34/29/03/565342903.db2.gz UTQWTGWUUZKORU-CJNGLKHVSA-N 1 2 381.910 2.997 20 30 GFEDLO N#CC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(I)cc2)C1 ZINC000595613266 565484729 /nfs/dbraw/zinc/48/47/29/565484729.db2.gz BPXINTININUVKE-LBPRGKRZSA-N 1 2 383.233 2.855 20 30 GFEDLO N#CC[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(I)cc2)C1 ZINC000595613266 565484734 /nfs/dbraw/zinc/48/47/34/565484734.db2.gz BPXINTININUVKE-LBPRGKRZSA-N 1 2 383.233 2.855 20 30 GFEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[NH+]1CCN(c2ccc(Br)cc2)CC1 ZINC000595723623 565489064 /nfs/dbraw/zinc/48/90/64/565489064.db2.gz ZTUWXGBAPUMIEC-AWEZNQCLSA-N 1 2 391.313 2.522 20 30 GFEDLO C=CCC[C@H](O)C[NH2+][C@@]1(C(=O)OC)CCc2cc(Br)ccc2C1 ZINC000599593225 565691445 /nfs/dbraw/zinc/69/14/45/565691445.db2.gz ARKUVFCBZNPTHF-WMZOPIPTSA-N 1 2 382.298 2.766 20 30 GFEDLO C[N@H+](CCC#N)C[C@@H](O)COc1cccc(OC(F)(F)F)c1Br ZINC000601961899 565811124 /nfs/dbraw/zinc/81/11/24/565811124.db2.gz BRSSYVNECZGITO-SNVBAGLBSA-N 1 2 397.191 2.933 20 30 GFEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1cccc(OC(F)(F)F)c1Br ZINC000601961899 565811125 /nfs/dbraw/zinc/81/11/25/565811125.db2.gz BRSSYVNECZGITO-SNVBAGLBSA-N 1 2 397.191 2.933 20 30 GFEDLO C=CCCn1cc(C[NH+]2CCN(c3cccc(Br)c3)CC2)nn1 ZINC000653665165 565977085 /nfs/dbraw/zinc/97/70/85/565977085.db2.gz WYAXZSBQKRWWOP-UHFFFAOYSA-N 1 2 376.302 2.939 20 30 GFEDLO C=CCOc1c(Br)cc(C[N@@H+](C)CC(=O)NCC)cc1OCC ZINC000678192461 566003389 /nfs/dbraw/zinc/00/33/89/566003389.db2.gz IYESHYVOAMHHPB-UHFFFAOYSA-N 1 2 385.302 2.981 20 30 GFEDLO C=CCOc1c(Br)cc(C[N@H+](C)CC(=O)NCC)cc1OCC ZINC000678192461 566003392 /nfs/dbraw/zinc/00/33/92/566003392.db2.gz IYESHYVOAMHHPB-UHFFFAOYSA-N 1 2 385.302 2.981 20 30 GFEDLO CN(C)c1ncc(C=[NH+]Nc2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)s1 ZINC000825882969 607888648 /nfs/dbraw/zinc/88/86/48/607888648.db2.gz AGOBVZODCPBZDZ-UHFFFAOYSA-N 1 2 382.375 2.854 20 30 GFEDLO N#Cc1cccc([C@H]2CN(c3c(-c4nn[nH]n4)c[nH+]c4ccccc43)CCO2)c1 ZINC000826386368 608052692 /nfs/dbraw/zinc/05/26/92/608052692.db2.gz AZUQXVZUWFBWRN-LJQANCHMSA-N 1 2 383.415 2.864 20 30 GFEDLO C[N@H+](CC(=O)Nc1ccc(C#N)cc1)[C@@H](CO)c1cccc(Br)c1 ZINC000125825698 654803191 /nfs/dbraw/zinc/80/31/91/654803191.db2.gz RNNNTUDWPUTJOP-KRWDZBQOSA-N 1 2 388.265 2.925 20 30 GFEDLO C[N@@H+](CC(=O)Nc1ccc(C#N)cc1)[C@@H](CO)c1cccc(Br)c1 ZINC000125825698 654803192 /nfs/dbraw/zinc/80/31/92/654803192.db2.gz RNNNTUDWPUTJOP-KRWDZBQOSA-N 1 2 388.265 2.925 20 30 GFEDLO N#Cc1ccc(S(=O)(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1Cl ZINC000071990120 655001816 /nfs/dbraw/zinc/00/18/16/655001816.db2.gz PDJMILHKGGIWKC-UHFFFAOYSA-N 1 2 376.869 2.685 20 30 GFEDLO N#Cc1ccc(NC(=S)NC[C@@]2([NH+]3CCOCC3)CCSC2)cc1Cl ZINC000726477650 655535426 /nfs/dbraw/zinc/53/54/26/655535426.db2.gz TZNFFFFQBHXUMH-KRWDZBQOSA-N 1 2 396.969 2.706 20 30 GFEDLO CN(Cc1ccccc1Br)C(=O)CO[NH+]=C(N)c1ccc(F)cc1 ZINC000747827152 655784072 /nfs/dbraw/zinc/78/40/72/655784072.db2.gz JTEPQCGJDMYZJS-UHFFFAOYSA-N 1 2 394.244 2.884 20 30 GFEDLO C#CCN(CC[N@@H+]1CCO[C@@H](C)C1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000800344411 659303242 /nfs/dbraw/zinc/30/32/42/659303242.db2.gz GSFGLQHMFAESIQ-MAUKXSAKSA-N 1 2 393.325 2.929 20 30 GFEDLO C#CCN(CC[N@H+]1CCO[C@@H](C)C1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000800344411 659303247 /nfs/dbraw/zinc/30/32/47/659303247.db2.gz GSFGLQHMFAESIQ-MAUKXSAKSA-N 1 2 393.325 2.929 20 30 GFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(Br)s3)n2CC=C)CC1 ZINC000800776375 659330061 /nfs/dbraw/zinc/33/00/61/659330061.db2.gz KAGKZYIMKIVLIJ-UHFFFAOYSA-N 1 2 392.326 2.710 20 30 GFEDLO C#CCNC(=O)CC[N@H+]1CCCC[C@H]1C(=O)Nc1cc(Cl)ccc1Cl ZINC000815068285 660108965 /nfs/dbraw/zinc/10/89/65/660108965.db2.gz KEXOPGKJIGMEGV-INIZCTEOSA-N 1 2 382.291 2.926 20 30 GFEDLO C#CCNC(=O)CC[N@@H+]1CCCC[C@H]1C(=O)Nc1cc(Cl)ccc1Cl ZINC000815068285 660108967 /nfs/dbraw/zinc/10/89/67/660108967.db2.gz KEXOPGKJIGMEGV-INIZCTEOSA-N 1 2 382.291 2.926 20 30 GFEDLO C#CCCCOc1ccc[nH+]c1NCCNS(=O)(=O)c1ccc(C)s1 ZINC000853453238 661889264 /nfs/dbraw/zinc/88/92/64/661889264.db2.gz POSOYRLZNZCWMH-UHFFFAOYSA-N 1 2 379.507 2.634 20 30 GFEDLO CCN(CC)S(=O)(=O)c1ccc(C[NH2+]Cc2cc(C#N)cnc2Cl)s1 ZINC000876980041 662869110 /nfs/dbraw/zinc/86/91/10/662869110.db2.gz DJEGXTHGRRBGET-UHFFFAOYSA-N 1 2 398.941 2.988 20 30 GFEDLO C#CC1(O)CC[NH+](Cc2cc(Br)c(OCC=C)c(OC)c2)CC1 ZINC000895379001 663510769 /nfs/dbraw/zinc/51/07/69/663510769.db2.gz IKVZMZIPJFBLDT-UHFFFAOYSA-N 1 2 380.282 2.983 20 30 GFEDLO CSc1ccc(C[NH2+]Cc2c(I)cnn2C)cc1C#N ZINC000895776217 663527238 /nfs/dbraw/zinc/52/72/38/663527238.db2.gz AFFRRCJQTDLUBE-UHFFFAOYSA-N 1 2 398.273 2.908 20 30 GFEDLO C[C@@H]1CCN(C[NH+]2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)C1=O ZINC000902524169 663762478 /nfs/dbraw/zinc/76/24/78/663762478.db2.gz PDEMGDJYIGMKDB-IWSPIJDZSA-N 1 2 380.279 2.915 20 30 GFEDLO Nc1ccc(C[NH+]2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)nn1 ZINC000904429061 663833861 /nfs/dbraw/zinc/83/38/61/663833861.db2.gz VYCUMFBJSQRURM-YUMQZZPRSA-N 1 2 376.251 2.662 20 30 GFEDLO N#Cc1ccc(S(=O)(=O)N2CCC(Nc3cccc[nH+]3)CC2)cc1Cl ZINC000920626082 664528569 /nfs/dbraw/zinc/52/85/69/664528569.db2.gz OMYDTXKBGSWITN-UHFFFAOYSA-N 1 2 376.869 2.872 20 30 GFEDLO N#Cc1ccc(C[NH+]2CCC(S(=O)(=O)N3CCCCC3)CC2)c(Cl)c1 ZINC000933088901 664849376 /nfs/dbraw/zinc/84/93/76/664849376.db2.gz VJBBMTIVDJDFRC-UHFFFAOYSA-N 1 2 381.929 2.992 20 30 GFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3ccncc3)[C@@H]2C1 ZINC001075808901 677675996 /nfs/dbraw/zinc/67/59/96/677675996.db2.gz ILHAEEWSXZFWKK-MWDXBVQZSA-N 1 2 376.298 2.626 20 30 GFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3ccncc3)[C@@H]2C1 ZINC001075808901 677675997 /nfs/dbraw/zinc/67/59/97/677675997.db2.gz ILHAEEWSXZFWKK-MWDXBVQZSA-N 1 2 376.298 2.626 20 30 GFEDLO N#Cc1ccc(C(F)(F)N2CCc3onc(Cn4cc[nH+]c4)c3C2)nc1Cl ZINC001164677440 719563351 /nfs/dbraw/zinc/56/33/51/719563351.db2.gz MWZGRLCQOCXPOU-UHFFFAOYSA-N 1 2 390.781 2.947 20 30 GFEDLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1nc3c(cc1C#N)CCCC3)C2 ZINC001165008937 721712625 /nfs/dbraw/zinc/71/26/25/721712625.db2.gz LTYGHIRZOWBDDE-UHFFFAOYSA-N 1 2 379.512 2.674 20 30 GFEDLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1nc3c(cc1C#N)CCCC3)C2 ZINC001165008937 721712629 /nfs/dbraw/zinc/71/26/29/721712629.db2.gz LTYGHIRZOWBDDE-UHFFFAOYSA-N 1 2 379.512 2.674 20 30 GFEDLO N#Cc1csc(C[N@H+]2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1 ZINC000121702390 551240406 /nfs/dbraw/zinc/24/04/06/551240406.db2.gz VVKKDMKAZPUJBK-UHFFFAOYSA-N 1 2 379.482 2.655 20 30 GFEDLO N#Cc1csc(C[N@@H+]2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1 ZINC000121702390 551240409 /nfs/dbraw/zinc/24/04/09/551240409.db2.gz VVKKDMKAZPUJBK-UHFFFAOYSA-N 1 2 379.482 2.655 20 30 GFEDLO N#Cc1cccnc1N1CC[NH+](C[C@H](O)c2ccccc2Br)CC1 ZINC000152689615 551437880 /nfs/dbraw/zinc/43/78/80/551437880.db2.gz MCECQDGHGCXSJP-KRWDZBQOSA-N 1 2 387.281 2.571 20 30 GFEDLO CCN(CC)c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2C#N)c[nH+]1 ZINC000156530541 551524689 /nfs/dbraw/zinc/52/46/89/551524689.db2.gz RCOJPOOZHVVKQW-UHFFFAOYSA-N 1 2 378.885 2.931 20 30 GFEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN([C@H](C)c2ccc(Br)cc2)CC1 ZINC000173855347 552094787 /nfs/dbraw/zinc/09/47/87/552094787.db2.gz XRESIMZRMOMVMV-HUUCEWRRSA-N 1 2 380.330 2.818 20 30 GFEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Nc1cc(Br)ccc1F ZINC000176997123 552148982 /nfs/dbraw/zinc/14/89/82/552148982.db2.gz XFNGUEDJXABPQP-UHFFFAOYSA-N 1 2 399.264 2.668 20 30 GFEDLO COc1ccc(Br)cc1C[C@H](CO)CNc1cc(C)[nH+]cc1C#N ZINC000425270714 563416191 /nfs/dbraw/zinc/41/61/91/563416191.db2.gz UBRRFSJFVXIYPB-ZDUSSCGKSA-N 1 2 390.281 2.718 20 30 GFEDLO Cc1cc(NC[C@@H](CO)Cc2ccc(F)c(Br)c2)c(C#N)c[nH+]1 ZINC000425268868 563416504 /nfs/dbraw/zinc/41/65/04/563416504.db2.gz PYNLTKWAPHBQDY-ZDUSSCGKSA-N 1 2 378.245 2.848 20 30 GFEDLO O=C(NC[C@@H]1COCCO1)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000328666277 563462573 /nfs/dbraw/zinc/46/25/73/563462573.db2.gz ZTTWUNMRMOXRDO-CVEARBPZSA-N 1 2 383.286 2.958 20 30 GFEDLO O=C(N[C@H]1COc2cc(F)c(Br)cc21)N1CCn2cc[nH+]c2C1 ZINC000328707029 563463193 /nfs/dbraw/zinc/46/31/93/563463193.db2.gz LRZRHSYCBCDTGS-LBPRGKRZSA-N 1 2 381.205 2.648 20 30 GFEDLO Cc1oc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ncc(Br)cn2)c(C#N)c1C ZINC000433008324 563600266 /nfs/dbraw/zinc/60/02/66/563600266.db2.gz OEFGNCYHMGPCHM-ZJUUUORDSA-N 1 2 392.257 2.998 20 30 GFEDLO CCc1nc(C)c([C@@H](C)[N@H+](C)CCS(=O)(=O)c2ccc(C#N)cn2)s1 ZINC000290253019 563702787 /nfs/dbraw/zinc/70/27/87/563702787.db2.gz KAFMUCGOFGIXJW-CYBMUJFWSA-N 1 2 378.523 2.747 20 30 GFEDLO CCc1nc(C)c([C@@H](C)[N@@H+](C)CCS(=O)(=O)c2ccc(C#N)cn2)s1 ZINC000290253019 563702790 /nfs/dbraw/zinc/70/27/90/563702790.db2.gz KAFMUCGOFGIXJW-CYBMUJFWSA-N 1 2 378.523 2.747 20 30 GFEDLO C[C@H](C(=O)N(CCC#N)CC[NH+]1CCOCC1)c1cccc(Br)c1 ZINC000292282034 563781196 /nfs/dbraw/zinc/78/11/96/563781196.db2.gz XNDYKCXCZHIGNA-HNNXBMFYSA-N 1 2 394.313 2.627 20 30 GFEDLO C=CCOc1c(Br)cc(C[N@@H+]2CCNC(=O)C[C@@H]2C)cc1OC ZINC000367667642 563851730 /nfs/dbraw/zinc/85/17/30/563851730.db2.gz CFKGUQBEBMCSOQ-LBPRGKRZSA-N 1 2 383.286 2.733 20 30 GFEDLO C=CCOc1c(Br)cc(C[N@H+]2CCNC(=O)C[C@@H]2C)cc1OC ZINC000367667642 563851731 /nfs/dbraw/zinc/85/17/31/563851731.db2.gz CFKGUQBEBMCSOQ-LBPRGKRZSA-N 1 2 383.286 2.733 20 30 GFEDLO N#Cc1ccc(S(=O)(=O)NCC[N@@H+]2CCc3sccc3C2)cc1Cl ZINC000507293831 564225438 /nfs/dbraw/zinc/22/54/38/564225438.db2.gz CBPZFTPHRBFMET-UHFFFAOYSA-N 1 2 381.910 2.610 20 30 GFEDLO N#Cc1ccc(S(=O)(=O)NCC[N@H+]2CCc3sccc3C2)cc1Cl ZINC000507293831 564225442 /nfs/dbraw/zinc/22/54/42/564225442.db2.gz CBPZFTPHRBFMET-UHFFFAOYSA-N 1 2 381.910 2.610 20 30 GFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cc(Br)ccc1Br ZINC000564215706 564225518 /nfs/dbraw/zinc/22/55/18/564225518.db2.gz NRHFNLYUUAZKFO-ZDUSSCGKSA-N 1 2 389.091 2.785 20 30 GFEDLO C=CCCOCCNC(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000542767590 564326012 /nfs/dbraw/zinc/32/60/12/564326012.db2.gz FPDOVZTWBUVATF-UHFFFAOYSA-N 1 2 395.301 2.840 20 30 GFEDLO C[C@H](C#N)C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccc(I)cc1 ZINC000478446231 564402661 /nfs/dbraw/zinc/40/26/61/564402661.db2.gz MBNCABRTJHZLIL-IUODEOHRSA-N 1 2 397.260 2.531 20 30 GFEDLO C[C@H](C#N)C(=O)NC[C@H]1CCC[N@H+]1Cc1ccc(I)cc1 ZINC000478446231 564402666 /nfs/dbraw/zinc/40/26/66/564402666.db2.gz MBNCABRTJHZLIL-IUODEOHRSA-N 1 2 397.260 2.531 20 30 GFEDLO C=CCOc1c(Br)cc(C[NH+]2CC(C(=O)NC)C2)cc1OCC ZINC000459629020 564753413 /nfs/dbraw/zinc/75/34/13/564753413.db2.gz YOXVBAPQEAMJNF-UHFFFAOYSA-N 1 2 383.286 2.590 20 30 GFEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)C1=O ZINC000499938433 564941309 /nfs/dbraw/zinc/94/13/09/564941309.db2.gz JXROWOCVMNWMEL-CVEARBPZSA-N 1 2 382.291 2.817 20 30 GFEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)C1=O ZINC000499938433 564941312 /nfs/dbraw/zinc/94/13/12/564941312.db2.gz JXROWOCVMNWMEL-CVEARBPZSA-N 1 2 382.291 2.817 20 30 GFEDLO Cc1cc[nH+]cc1N1CCN(C(=O)Cc2ccc(Br)cc2C#N)CC1 ZINC000593148270 565316520 /nfs/dbraw/zinc/31/65/20/565316520.db2.gz UBBHRVSLXSQEGL-UHFFFAOYSA-N 1 2 399.292 2.916 20 30 GFEDLO CC1CCN(c2ccc(CNS(=O)(=O)c3ccsc3C#N)c[nH+]2)CC1 ZINC000593532729 565337787 /nfs/dbraw/zinc/33/77/87/565337787.db2.gz RVTWYUWLADRBQF-UHFFFAOYSA-N 1 2 376.507 2.730 20 30 GFEDLO C[N@@H+](Cc1cn(-c2cccc(Br)c2)nn1)C[C@@H](O)CC(C)(C)C#N ZINC000598609623 565628781 /nfs/dbraw/zinc/62/87/81/565628781.db2.gz BOXXRXYEVJTXAZ-INIZCTEOSA-N 1 2 392.301 2.762 20 30 GFEDLO C[N@H+](Cc1cn(-c2cccc(Br)c2)nn1)C[C@@H](O)CC(C)(C)C#N ZINC000598609623 565628784 /nfs/dbraw/zinc/62/87/84/565628784.db2.gz BOXXRXYEVJTXAZ-INIZCTEOSA-N 1 2 392.301 2.762 20 30 GFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cc(-c2cccc(Br)c2)no1 ZINC000598836252 565644671 /nfs/dbraw/zinc/64/46/71/565644671.db2.gz DNKPCQFSZWLXPN-MRXNPFEDSA-N 1 2 377.242 2.678 20 30 GFEDLO C[C@H](CNS(=O)(=O)c1ccccc1CC#N)[N@@H+]1CCc2sccc2C1 ZINC000601302610 565774898 /nfs/dbraw/zinc/77/48/98/565774898.db2.gz RVRCBBCPMZWFLR-CQSZACIVSA-N 1 2 375.519 2.539 20 30 GFEDLO C[C@H](CNS(=O)(=O)c1ccccc1CC#N)[N@H+]1CCc2sccc2C1 ZINC000601302610 565774905 /nfs/dbraw/zinc/77/49/05/565774905.db2.gz RVRCBBCPMZWFLR-CQSZACIVSA-N 1 2 375.519 2.539 20 30 GFEDLO Cc1cc(Br)ccc1NC(=O)CO[NH+]=C(N)Cc1cccnc1 ZINC000137658877 655041486 /nfs/dbraw/zinc/04/14/86/655041486.db2.gz XNOJECPLBZIUNN-UHFFFAOYSA-N 1 2 377.242 2.623 20 30 GFEDLO Clc1ccc(-n2cc(C=NNC3=[NH+][C@H]4CCCC[C@@H]4N3)nn2)c(Cl)c1 ZINC000755815708 655889482 /nfs/dbraw/zinc/88/94/82/655889482.db2.gz VVACXDLXBCBTDU-KBPBESRZSA-N 1 2 378.267 2.768 20 30 GFEDLO N#Cc1cccc(N2CC[NH+](C[C@H](O)c3ccccc3Br)CC2)n1 ZINC000760913293 655994505 /nfs/dbraw/zinc/99/45/05/655994505.db2.gz PUIYRAGOHVZXPI-KRWDZBQOSA-N 1 2 387.281 2.571 20 30 GFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)OC(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000767112215 656194487 /nfs/dbraw/zinc/19/44/87/656194487.db2.gz QEKWZKTYSBJCDZ-LSDHHAIUSA-N 1 2 382.551 2.632 20 30 GFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)OC(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000767112215 656194488 /nfs/dbraw/zinc/19/44/88/656194488.db2.gz QEKWZKTYSBJCDZ-LSDHHAIUSA-N 1 2 382.551 2.632 20 30 GFEDLO C#CC[NH+]1CCC(C(=O)O[C@H](C)C(=O)c2ccc(Br)cc2)CC1 ZINC000772120588 656372972 /nfs/dbraw/zinc/37/29/72/656372972.db2.gz KWEUODNRUUQVTP-CYBMUJFWSA-N 1 2 378.266 2.909 20 30 GFEDLO C#CCn1ccc(C[N@H+](CCOC)CCOc2ccc(Br)cc2)n1 ZINC000789324250 657837683 /nfs/dbraw/zinc/83/76/83/657837683.db2.gz HHRAKQYLPWJFEN-UHFFFAOYSA-N 1 2 392.297 2.806 20 30 GFEDLO C#CCn1ccc(C[N@@H+](CCOC)CCOc2ccc(Br)cc2)n1 ZINC000789324250 657837692 /nfs/dbraw/zinc/83/76/92/657837692.db2.gz HHRAKQYLPWJFEN-UHFFFAOYSA-N 1 2 392.297 2.806 20 30 GFEDLO C[C@]12CC[N@@H+]([C@H]3CC(=O)N(c4ccc(C#N)cc4)C3=O)C[C@H]1C2(Cl)Cl ZINC000790587107 658000052 /nfs/dbraw/zinc/00/00/52/658000052.db2.gz PUPCSLIMZVPRJN-VBQJREDUSA-N 1 2 378.259 2.706 20 30 GFEDLO C[C@]12CC[N@H+]([C@H]3CC(=O)N(c4ccc(C#N)cc4)C3=O)C[C@H]1C2(Cl)Cl ZINC000790587107 658000055 /nfs/dbraw/zinc/00/00/55/658000055.db2.gz PUPCSLIMZVPRJN-VBQJREDUSA-N 1 2 378.259 2.706 20 30 GFEDLO CCN(CC)c1ncc(C=[NH+]Nc2ccc(S(=O)(=O)N(C)C)cc2)s1 ZINC000812231830 660021637 /nfs/dbraw/zinc/02/16/37/660021637.db2.gz GWKNGLAGVAKKEQ-UHFFFAOYSA-N 1 2 381.527 2.686 20 30 GFEDLO C[N@@H+]1CCC[C@H]1c1cc(C(=O)NCC(F)(C(F)(F)F)C(F)(F)F)[nH]n1 ZINC000899094781 663675205 /nfs/dbraw/zinc/67/52/05/663675205.db2.gz ZGNASGDPVDXNJV-VIFPVBQESA-N 1 2 376.276 2.739 20 30 GFEDLO C[N@H+]1CCC[C@H]1c1cc(C(=O)NCC(F)(C(F)(F)F)C(F)(F)F)[nH]n1 ZINC000899094781 663675211 /nfs/dbraw/zinc/67/52/11/663675211.db2.gz ZGNASGDPVDXNJV-VIFPVBQESA-N 1 2 376.276 2.739 20 30 GFEDLO Nc1cnc(C[NH+]2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)cn1 ZINC000904428228 663833938 /nfs/dbraw/zinc/83/39/38/663833938.db2.gz GZTVBOLZCXGRET-YUMQZZPRSA-N 1 2 376.251 2.662 20 30 GFEDLO O=C1C=COC2(CC[NH+](C[C@H](O)c3ccc(F)c(Br)c3)CC2)C1 ZINC000933647427 664871105 /nfs/dbraw/zinc/87/11/05/664871105.db2.gz AJIMWYADQYLTJT-INIZCTEOSA-N 1 2 384.245 2.959 20 30 GFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](Cc3cnc(Cl)s3)C[C@H]21 ZINC001075807746 677675966 /nfs/dbraw/zinc/67/59/66/677675966.db2.gz UGLQZELOWORWCB-XZDPQHSOSA-N 1 2 381.929 2.810 20 30 GFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](Cc3cnc(Cl)s3)C[C@H]21 ZINC001075807746 677675967 /nfs/dbraw/zinc/67/59/67/677675967.db2.gz UGLQZELOWORWCB-XZDPQHSOSA-N 1 2 381.929 2.810 20 30 GFEDLO N#Cc1c(Cl)nccc1C(F)(F)N1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001164676819 719562942 /nfs/dbraw/zinc/56/29/42/719562942.db2.gz GGQKBMAGUPOQSN-UHFFFAOYSA-N 1 2 390.781 2.947 20 30 GFEDLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1cc(C#N)c3ccccc3n1)C2 ZINC001165008920 721712284 /nfs/dbraw/zinc/71/22/84/721712284.db2.gz LDXLIGLENJVBEC-UHFFFAOYSA-N 1 2 375.480 2.948 20 30 GFEDLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1cc(C#N)c3ccccc3n1)C2 ZINC001165008920 721712289 /nfs/dbraw/zinc/71/22/89/721712289.db2.gz LDXLIGLENJVBEC-UHFFFAOYSA-N 1 2 375.480 2.948 20 30 GFEDLO CCN(CCC#N)c1ncccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC001165048154 721987195 /nfs/dbraw/zinc/98/71/95/721987195.db2.gz KKBABALOBVDLFA-UHFFFAOYSA-N 1 2 377.492 2.780 20 30 GFEDLO C[C@@H](C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)[NH+]1CCSCC1 ZINC000542073913 532764183 /nfs/dbraw/zinc/76/41/83/532764183.db2.gz UWRVYLSJTIAIDG-LBPRGKRZSA-N 1 2 375.885 2.773 20 30 GFEDLO CCCCNC(=O)C[NH+]1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000120996087 551224788 /nfs/dbraw/zinc/22/47/88/551224788.db2.gz RSKHMHISQMQSIG-QGZVFWFLSA-N 1 2 393.329 2.548 20 30 GFEDLO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](CC)c1noc(-c2cccc(Br)c2)n1 ZINC000371790527 563287195 /nfs/dbraw/zinc/28/71/95/563287195.db2.gz XVYAKFYHEYZDHF-RISCZKNCSA-N 1 2 391.269 2.678 20 30 GFEDLO N#Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)cc1Br ZINC000373909660 563354676 /nfs/dbraw/zinc/35/46/76/563354676.db2.gz LQWFWFKOOQONSZ-CYBMUJFWSA-N 1 2 381.255 2.570 20 30 GFEDLO COC(=O)c1cnc([C@@H](C)[NH2+]CC(=O)Nc2cc(Cl)ccc2C#N)s1 ZINC000425490744 563424824 /nfs/dbraw/zinc/42/48/24/563424824.db2.gz PLZPZQOODMBRND-SECBINFHSA-N 1 2 378.841 2.744 20 30 GFEDLO Cc1cc(Br)cn2cc(CNC(=O)N3CC4(C3)CCCOC4)[nH+]c12 ZINC000329382126 563478954 /nfs/dbraw/zinc/47/89/54/563478954.db2.gz OFZHBRQFHKSLDV-UHFFFAOYSA-N 1 2 393.285 2.932 20 30 GFEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000285582889 563527968 /nfs/dbraw/zinc/52/79/68/563527968.db2.gz OLRDAAACGUYUSE-HNNXBMFYSA-N 1 2 375.778 2.929 20 30 GFEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000285582889 563527973 /nfs/dbraw/zinc/52/79/73/563527973.db2.gz OLRDAAACGUYUSE-HNNXBMFYSA-N 1 2 375.778 2.929 20 30 GFEDLO CC[C@@H]1CN(C(=O)c2cccc(C#N)c2Br)C[C@@H]1[NH+]1CCOCC1 ZINC000331299905 563544137 /nfs/dbraw/zinc/54/41/37/563544137.db2.gz BLZXDTPLQBZLOQ-CJNGLKHVSA-N 1 2 392.297 2.504 20 30 GFEDLO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1S(=O)(=O)c1cccc(Br)c1C#N ZINC000408115834 563545405 /nfs/dbraw/zinc/54/54/05/563545405.db2.gz QWDVQTPGFSXPPS-CHWSQXEVSA-N 1 2 398.326 2.568 20 30 GFEDLO C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1S(=O)(=O)c1cccc(Br)c1C#N ZINC000408115834 563545408 /nfs/dbraw/zinc/54/54/08/563545408.db2.gz QWDVQTPGFSXPPS-CHWSQXEVSA-N 1 2 398.326 2.568 20 30 GFEDLO N#Cc1ccc([C@H]([NH2+][C@H]2COc3cc(F)c(Br)cc32)C(N)=O)cc1 ZINC000409833681 563572146 /nfs/dbraw/zinc/57/21/46/563572146.db2.gz BMKDOJDGSMRLGH-HOCLYGCPSA-N 1 2 390.212 2.710 20 30 GFEDLO N#Cc1ccc([C@@H]([NH2+][C@H]2COc3cc(F)c(Br)cc32)C(N)=O)cc1 ZINC000409833680 563572251 /nfs/dbraw/zinc/57/22/51/563572251.db2.gz BMKDOJDGSMRLGH-GOEBONIOSA-N 1 2 390.212 2.710 20 30 GFEDLO C[C@H](CCC#N)[NH+]1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000411142332 563606836 /nfs/dbraw/zinc/60/68/36/563606836.db2.gz PDDSHHLPTMWZTQ-CYBMUJFWSA-N 1 2 375.416 2.704 20 30 GFEDLO C[C@@H](CCC#N)[NH+]1CCN(C(=O)COc2ccc(Br)cc2)CC1 ZINC000411259329 563612248 /nfs/dbraw/zinc/61/22/48/563612248.db2.gz NIDGTZZVJUTFHP-AWEZNQCLSA-N 1 2 380.286 2.664 20 30 GFEDLO COC(=O)C[C@@H]1CSCC[N@@H+]1[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000438591619 563707816 /nfs/dbraw/zinc/70/78/16/563707816.db2.gz LWRAZQVPYNYUKM-SMDDNHRTSA-N 1 2 381.885 2.519 20 30 GFEDLO COC(=O)C[C@@H]1CSCC[N@H+]1[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000438591619 563707818 /nfs/dbraw/zinc/70/78/18/563707818.db2.gz LWRAZQVPYNYUKM-SMDDNHRTSA-N 1 2 381.885 2.519 20 30 GFEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000444727933 563835838 /nfs/dbraw/zinc/83/58/38/563835838.db2.gz FGFDYXCSGSPOFR-XHDPSFHLSA-N 1 2 375.778 2.785 20 30 GFEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000444727933 563835840 /nfs/dbraw/zinc/83/58/40/563835840.db2.gz FGFDYXCSGSPOFR-XHDPSFHLSA-N 1 2 375.778 2.785 20 30 GFEDLO C=CCNC(=O)C[N@H+]1CCC[C@H]1c1nc(-c2cccc(Br)c2)no1 ZINC000368997810 563883967 /nfs/dbraw/zinc/88/39/67/563883967.db2.gz HDNVPBBWVIGFHY-AWEZNQCLSA-N 1 2 391.269 2.938 20 30 GFEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H]1c1nc(-c2cccc(Br)c2)no1 ZINC000368997810 563883971 /nfs/dbraw/zinc/88/39/71/563883971.db2.gz HDNVPBBWVIGFHY-AWEZNQCLSA-N 1 2 391.269 2.938 20 30 GFEDLO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH+]1CCC(C#N)CC1 ZINC000449016876 563905263 /nfs/dbraw/zinc/90/52/63/563905263.db2.gz IQMRSQXMQUXYQN-GFCCVEGCSA-N 1 2 380.286 2.698 20 30 GFEDLO CC[C@@H]1CN(C(=O)c2ccc(Br)cc2C#N)C[C@H]1[NH+]1CCOCC1 ZINC000450034508 564214843 /nfs/dbraw/zinc/21/48/43/564214843.db2.gz LDYSBVKVGAMLCH-CXAGYDPISA-N 1 2 392.297 2.504 20 30 GFEDLO N#Cc1ccncc1N1CC[NH+](CCOc2ccccc2Br)CC1 ZINC000564028701 564216646 /nfs/dbraw/zinc/21/66/46/564216646.db2.gz ZEHOMBRTIUFWBX-UHFFFAOYSA-N 1 2 387.281 2.917 20 30 GFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cc(Br)ccc1Br ZINC000564215703 564225395 /nfs/dbraw/zinc/22/53/95/564225395.db2.gz NRHFNLYUUAZKFO-CYBMUJFWSA-N 1 2 389.091 2.785 20 30 GFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc(Sc2ccccc2Cl)nn1 ZINC000566308972 564321984 /nfs/dbraw/zinc/32/19/84/564321984.db2.gz LRABURBTOROTPJ-KRWDZBQOSA-N 1 2 375.885 2.855 20 30 GFEDLO C[C@H](O)CNc1[nH+]c2ccccc2n1Cc1ccc(Br)cc1C#N ZINC000567077792 564356695 /nfs/dbraw/zinc/35/66/95/564356695.db2.gz ITEDIDGPTBTVAZ-LBPRGKRZSA-N 1 2 385.265 2.933 20 30 GFEDLO CCn1cc[nH+]c1[C@@H](C)NS(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000451929848 564368557 /nfs/dbraw/zinc/36/85/57/564368557.db2.gz ONAOMSVFXJCBAV-SNVBAGLBSA-N 1 2 383.271 2.577 20 30 GFEDLO CCc1ccc(C[NH+]2CCN(S(=O)(=O)CC3(C#N)CCCC3)CC2)s1 ZINC000546059430 564441994 /nfs/dbraw/zinc/44/19/94/564441994.db2.gz JMZWDMQTOUEABC-UHFFFAOYSA-N 1 2 381.567 2.842 20 30 GFEDLO C=CCN(CC=C)C(=O)C[NH+]1CCN(Cc2ccc(Br)cc2)CC1 ZINC000483595720 564571136 /nfs/dbraw/zinc/57/11/36/564571136.db2.gz SZTVVMWEZPBBLA-UHFFFAOYSA-N 1 2 392.341 2.767 20 30 GFEDLO C[C@@H]1C[C@@H](NC(=O)COc2cccc(Br)c2C#N)c2[nH+]ccn21 ZINC000519748578 564589823 /nfs/dbraw/zinc/58/98/23/564589823.db2.gz KLXLELPSOBUBOA-ZWNOBZJWSA-N 1 2 375.226 2.718 20 30 GFEDLO CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCN(c2cccc(Br)c2)CC1 ZINC000551709606 564661779 /nfs/dbraw/zinc/66/17/79/564661779.db2.gz FGQBDBKRHIOFRX-OAHLLOKOSA-N 1 2 393.329 2.579 20 30 GFEDLO C[C@@H](NC(=O)Nc1ccc(C#N)c(Br)c1)[C@H](C)[NH+]1CCOCC1 ZINC000487962205 564700614 /nfs/dbraw/zinc/70/06/14/564700614.db2.gz XZEDEEQRXMLNHM-NEPJUHHUSA-N 1 2 381.274 2.551 20 30 GFEDLO CCN(CCC#N)C(=O)C[N@H+](CCOC)Cc1ccc(Br)s1 ZINC000494285102 564822165 /nfs/dbraw/zinc/82/21/65/564822165.db2.gz MDKOKRMQZZGPLR-UHFFFAOYSA-N 1 2 388.331 2.721 20 30 GFEDLO CCN(CCC#N)C(=O)C[N@@H+](CCOC)Cc1ccc(Br)s1 ZINC000494285102 564822168 /nfs/dbraw/zinc/82/21/68/564822168.db2.gz MDKOKRMQZZGPLR-UHFFFAOYSA-N 1 2 388.331 2.721 20 30 GFEDLO N#Cc1ccc(S(=O)(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)o1 ZINC000557791563 564876977 /nfs/dbraw/zinc/87/69/77/564876977.db2.gz VKIZNBMBYXRWJA-INIZCTEOSA-N 1 2 379.869 2.920 20 30 GFEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCSC[C@H]1CCO ZINC000470200970 565040812 /nfs/dbraw/zinc/04/08/12/565040812.db2.gz FDUUJATXWDSUMD-HUUCEWRRSA-N 1 2 379.551 2.819 20 30 GFEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCSC[C@H]1CCO ZINC000470200970 565040815 /nfs/dbraw/zinc/04/08/15/565040815.db2.gz FDUUJATXWDSUMD-HUUCEWRRSA-N 1 2 379.551 2.819 20 30 GFEDLO COC1CC[NH+](Cc2cn(Cc3ccc(C#N)cc3Br)nn2)CC1 ZINC000603242941 565892142 /nfs/dbraw/zinc/89/21/42/565892142.db2.gz FQNUOWPTSXCNFQ-UHFFFAOYSA-N 1 2 390.285 2.571 20 30 GFEDLO COCC[N@@H+](CCC#N)CCCOc1cccc(I)c1 ZINC000610391862 566079932 /nfs/dbraw/zinc/07/99/32/566079932.db2.gz YGJJUOSIUDCUQA-UHFFFAOYSA-N 1 2 388.249 2.922 20 30 GFEDLO COCC[N@H+](CCC#N)CCCOc1cccc(I)c1 ZINC000610391862 566079933 /nfs/dbraw/zinc/07/99/33/566079933.db2.gz YGJJUOSIUDCUQA-UHFFFAOYSA-N 1 2 388.249 2.922 20 30 GFEDLO C#CC[N@@H+](CC(=O)Nc1oc(C)c(C)c1-c1nn[nH]n1)[C@H]1CCc2ccccc21 ZINC000819697375 607363536 /nfs/dbraw/zinc/36/35/36/607363536.db2.gz CKCRXDICHWBFRC-KRWDZBQOSA-N 1 2 390.447 2.638 20 30 GFEDLO C#CC[N@H+](CC(=O)Nc1oc(C)c(C)c1-c1nn[nH]n1)[C@H]1CCc2ccccc21 ZINC000819697375 607363538 /nfs/dbraw/zinc/36/35/38/607363538.db2.gz CKCRXDICHWBFRC-KRWDZBQOSA-N 1 2 390.447 2.638 20 30 GFEDLO Cc1cc(N2CC[NH+]([C@@H](C(=O)[O-])c3cccc(C#N)c3)CC2)nc(C(C)C)[nH+]1 ZINC000832891016 601310275 /nfs/dbraw/zinc/31/02/75/601310275.db2.gz ICCONNPJJQLEJY-LJQANCHMSA-N 1 2 379.464 2.728 20 30 GFEDLO CC(C)c1nc(-c2nn[nH]n2)c(N=NC2C[N@H+](Cc3ccccc3)C[C@@H]2C)o1 ZINC000820759173 606341400 /nfs/dbraw/zinc/34/14/00/606341400.db2.gz IGFNCMMNCBVCNR-ZDUSSCGKSA-N 1 2 380.456 2.898 20 30 GFEDLO CC(C)c1nc(-c2nn[nH]n2)c(N=NC2C[N@@H+](Cc3ccccc3)C[C@@H]2C)o1 ZINC000820759173 606341401 /nfs/dbraw/zinc/34/14/01/606341401.db2.gz IGFNCMMNCBVCNR-ZDUSSCGKSA-N 1 2 380.456 2.898 20 30 GFEDLO C#CCO[C@H](C)C(=O)N(CCn1cc[nH+]c1)Cc1ccccc1Br ZINC000820043383 660279375 /nfs/dbraw/zinc/27/93/75/660279375.db2.gz UZMDGEDZNZTVQY-OAHLLOKOSA-N 1 2 390.281 2.713 20 30 GFEDLO Cn1nc(Br)c2c1ncnc2N=NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000726740868 655537826 /nfs/dbraw/zinc/53/78/26/655537826.db2.gz GGRBEWAQWZBXKF-UHFFFAOYSA-N 1 2 397.240 2.758 20 30 GFEDLO Cc1c(-c2cc(CO[NH+]=C(N)c3ccc(Br)cc3)on2)cnn1C ZINC000767138512 656195079 /nfs/dbraw/zinc/19/50/79/656195079.db2.gz WBLOVELCYZXCSX-UHFFFAOYSA-N 1 2 390.241 2.983 20 30 GFEDLO Cc1nn(C)c(N2CC[NH+](Cc3cc(C)cc(Br)c3)CC2)c1C#N ZINC000775102830 656600054 /nfs/dbraw/zinc/60/00/54/656600054.db2.gz USPDWCRTTFGOQQ-UHFFFAOYSA-N 1 2 388.313 2.993 20 30 GFEDLO C#CCN(CC[N@@H+]1CCO[C@H](C)C1)[C@H]1CCOc2ccc(Br)cc21 ZINC000800344412 659303164 /nfs/dbraw/zinc/30/31/64/659303164.db2.gz GSFGLQHMFAESIQ-QAPCUYQASA-N 1 2 393.325 2.929 20 30 GFEDLO C#CCN(CC[N@H+]1CCO[C@H](C)C1)[C@H]1CCOc2ccc(Br)cc21 ZINC000800344412 659303170 /nfs/dbraw/zinc/30/31/70/659303170.db2.gz GSFGLQHMFAESIQ-QAPCUYQASA-N 1 2 393.325 2.929 20 30 GFEDLO C#CC[NH+]1CCN(c2nnc(-c3cc(F)ccc3Br)n2CC)CC1 ZINC000801825519 659428136 /nfs/dbraw/zinc/42/81/36/659428136.db2.gz DEBBBLJOIHPYSK-UHFFFAOYSA-N 1 2 392.276 2.622 20 30 GFEDLO C[NH+]1CCC(CN=Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)CC1 ZINC000872354753 662761993 /nfs/dbraw/zinc/76/19/93/662761993.db2.gz HQYYNCAQKMVKPF-UHFFFAOYSA-N 1 2 379.511 2.683 20 30 GFEDLO N#Cc1nc(NC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)ccc1Br ZINC000883106476 663049395 /nfs/dbraw/zinc/04/93/95/663049395.db2.gz UONIYQWVWHLVQP-GFCCVEGCSA-N 1 2 388.225 2.796 20 30 GFEDLO C=C(C)C[C@@H](CO)NC(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000883611880 663057931 /nfs/dbraw/zinc/05/79/31/663057931.db2.gz MFJHEDDLVMREMG-HNNXBMFYSA-N 1 2 395.301 2.574 20 30 GFEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(Cc1cc(Br)ccc1F)C1CC1 ZINC000884075354 663064472 /nfs/dbraw/zinc/06/44/72/663064472.db2.gz WAEZYGVNQZYXED-HNNXBMFYSA-N 1 2 399.260 2.526 20 30 GFEDLO CC[C@H]([NH2+]Cc1nc(C#N)cs1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000903262082 663780739 /nfs/dbraw/zinc/78/07/39/663780739.db2.gz AEWBTQBOGFZLCX-ZDUSSCGKSA-N 1 2 384.914 2.817 20 30 GFEDLO C=CCOC(=O)[C@@H]([NH3+])Cc1nc([C@@H](C)c2ccc(Br)cc2)no1 ZINC000904106354 663824798 /nfs/dbraw/zinc/82/47/98/663824798.db2.gz VGEZQYVHBASASB-GWCFXTLKSA-N 1 2 380.242 2.583 20 30 GFEDLO N#Cc1cnc(Cl)cc1C(F)(F)N1CC[NH+](CCc2ccccn2)CC1 ZINC001165055366 722013680 /nfs/dbraw/zinc/01/36/80/722013680.db2.gz GWLNNXQJOYZLOF-UHFFFAOYSA-N 1 2 377.826 2.911 20 30 GFEDLO N#Cc1cc(Cl)ncc1C(F)(F)N1CC[NH+](CCc2ccccn2)CC1 ZINC001165056233 722015732 /nfs/dbraw/zinc/01/57/32/722015732.db2.gz PXDJSMAIZYRPOK-UHFFFAOYSA-N 1 2 377.826 2.911 20 30 GFEDLO C[C@@H](CNS(=O)(=O)c1cccc(Cl)c1C#N)[N@@H+]1CCc2sccc2C1 ZINC000156408144 551522402 /nfs/dbraw/zinc/52/24/02/551522402.db2.gz JIWZTYYSFAMUTO-LBPRGKRZSA-N 1 2 395.937 2.998 20 30 GFEDLO C[C@@H](CNS(=O)(=O)c1cccc(Cl)c1C#N)[N@H+]1CCc2sccc2C1 ZINC000156408144 551522405 /nfs/dbraw/zinc/52/24/05/551522405.db2.gz JIWZTYYSFAMUTO-LBPRGKRZSA-N 1 2 395.937 2.998 20 30 GFEDLO Cc1cc(N(CCC#N)C(=O)CSCC[NH+]2CCOCC2)ccc1Cl ZINC000159786444 551571050 /nfs/dbraw/zinc/57/10/50/551571050.db2.gz XZKKMAXVYOKCOT-UHFFFAOYSA-N 1 2 381.929 2.961 20 30 GFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000249746642 553146294 /nfs/dbraw/zinc/14/62/94/553146294.db2.gz ZZLYLLLAOVSNKY-ONUMYQOESA-N 1 2 384.307 2.891 20 30 GFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000249746642 553146296 /nfs/dbraw/zinc/14/62/96/553146296.db2.gz ZZLYLLLAOVSNKY-ONUMYQOESA-N 1 2 384.307 2.891 20 30 GFEDLO N#Cc1cccc(CS(=O)(=O)N2CC[NH2+]C[C@H]2c2ccccc2Cl)c1 ZINC000261700532 553156864 /nfs/dbraw/zinc/15/68/64/553156864.db2.gz LPYSCHKWTKWMLO-SFHVURJKSA-N 1 2 375.881 2.688 20 30 GFEDLO N#C[C@H]1CC[C@@H]([NH+]2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)C1 ZINC000278646692 563264852 /nfs/dbraw/zinc/26/48/52/563264852.db2.gz PLHMGOYUJNDSTM-GXTWGEPZSA-N 1 2 388.320 2.992 20 30 GFEDLO C[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)[C@@H](CO)c1ccc(Cl)cc1 ZINC000296049963 563272890 /nfs/dbraw/zinc/27/28/90/563272890.db2.gz AXIXPUSFYPBZMO-SFHVURJKSA-N 1 2 378.881 2.651 20 30 GFEDLO C[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)[C@@H](CO)c1ccc(Cl)cc1 ZINC000296049963 563272892 /nfs/dbraw/zinc/27/28/92/563272892.db2.gz AXIXPUSFYPBZMO-SFHVURJKSA-N 1 2 378.881 2.651 20 30 GFEDLO C=CCn1cc(C[NH2+]Cc2cc(Br)c(OCC)c(OC)c2)nn1 ZINC000424170761 563372403 /nfs/dbraw/zinc/37/24/03/563372403.db2.gz KOCUOALMEDFEMK-UHFFFAOYSA-N 1 2 381.274 2.924 20 30 GFEDLO CO[C@H]1C[C@@H](C(=O)N2CCCC2)[N@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000284630243 563482972 /nfs/dbraw/zinc/48/29/72/563482972.db2.gz LTBGJTGEMSQHGC-RDJZCZTQSA-N 1 2 392.297 2.532 20 30 GFEDLO CO[C@H]1C[C@@H](C(=O)N2CCCC2)[N@@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000284630243 563482976 /nfs/dbraw/zinc/48/29/76/563482976.db2.gz LTBGJTGEMSQHGC-RDJZCZTQSA-N 1 2 392.297 2.532 20 30 GFEDLO O=C(N[C@@H]1CCOc2ccc(Br)cc21)N1CCn2cc[nH+]c2C1 ZINC000329843116 563489892 /nfs/dbraw/zinc/48/98/92/563489892.db2.gz NZYDNQMUOWCOQC-CYBMUJFWSA-N 1 2 377.242 2.899 20 30 GFEDLO C[N@@H+]1CC[C@H](NC(=O)NC[C@H](O)C(F)(F)F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000330441290 563506210 /nfs/dbraw/zinc/50/62/10/563506210.db2.gz DVZYORQVIWBRIT-RWMBFGLXSA-N 1 2 383.773 2.651 20 30 GFEDLO C[N@H+]1CC[C@H](NC(=O)NC[C@H](O)C(F)(F)F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000330441290 563506212 /nfs/dbraw/zinc/50/62/12/563506212.db2.gz DVZYORQVIWBRIT-RWMBFGLXSA-N 1 2 383.773 2.651 20 30 GFEDLO Cc1nc(C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)c(Br)s1 ZINC000330657320 563516139 /nfs/dbraw/zinc/51/61/39/563516139.db2.gz VTXVUMQZJFRCBC-LLVKDONJSA-N 1 2 376.320 2.875 20 30 GFEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000286727171 563572674 /nfs/dbraw/zinc/57/26/74/563572674.db2.gz XMVCDZKVZZCJAH-DGCLKSJQSA-N 1 2 375.778 2.643 20 30 GFEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000286727171 563572681 /nfs/dbraw/zinc/57/26/81/563572681.db2.gz XMVCDZKVZZCJAH-DGCLKSJQSA-N 1 2 375.778 2.643 20 30 GFEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@@H](c3cccc(Cl)c3)C2)nc1 ZINC000433310872 563609126 /nfs/dbraw/zinc/60/91/26/563609126.db2.gz DTWIEITTZQHBMF-MRXNPFEDSA-N 1 2 375.881 2.870 20 30 GFEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@@H](c3cccc(Cl)c3)C2)nc1 ZINC000433310872 563609127 /nfs/dbraw/zinc/60/91/27/563609127.db2.gz DTWIEITTZQHBMF-MRXNPFEDSA-N 1 2 375.881 2.870 20 30 GFEDLO N#C[C@H]1CC[C@H]([NH+]2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)C1 ZINC000293468913 563814266 /nfs/dbraw/zinc/81/42/66/563814266.db2.gz LRSGATVPCIVXNX-STQMWFEESA-N 1 2 388.320 2.992 20 30 GFEDLO C=CCNC(=O)C[NH2+][C@@H](CC)c1noc(-c2cccc(Br)c2)n1 ZINC000368220741 563866949 /nfs/dbraw/zinc/86/69/49/563866949.db2.gz GFWVPBFLXTXJAO-ZDUSSCGKSA-N 1 2 379.258 2.842 20 30 GFEDLO N#Cc1ccc(OCC(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)cc1Br ZINC000450367553 564229676 /nfs/dbraw/zinc/22/96/76/564229676.db2.gz CPVYLQLWHSNUEF-CQSZACIVSA-N 1 2 375.226 2.786 20 30 GFEDLO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NCCCCn1cc[nH+]c1 ZINC000565378208 564278073 /nfs/dbraw/zinc/27/80/73/564278073.db2.gz YDUXWBSCALHGOU-UHFFFAOYSA-N 1 2 380.901 2.709 20 30 GFEDLO CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1)S(=O)(=O)CC1(CC#N)CC1 ZINC000451502709 564319622 /nfs/dbraw/zinc/31/96/22/564319622.db2.gz CQVWCAVRKBIESF-GJZGRUSLSA-N 1 2 385.530 2.616 20 30 GFEDLO CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1)S(=O)(=O)CC1(CC#N)CC1 ZINC000451502709 564319623 /nfs/dbraw/zinc/31/96/23/564319623.db2.gz CQVWCAVRKBIESF-GJZGRUSLSA-N 1 2 385.530 2.616 20 30 GFEDLO C[C@@H](Cc1ccsc1)[NH+]1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000543057341 564336593 /nfs/dbraw/zinc/33/65/93/564336593.db2.gz BCTBIYDJGOCDRU-HNNXBMFYSA-N 1 2 375.519 2.557 20 30 GFEDLO C[NH+](C)[C@@H](CNS(=O)(=O)Cc1ccc(C#N)cc1)c1ccccc1Cl ZINC000514843333 564460193 /nfs/dbraw/zinc/46/01/93/564460193.db2.gz QVVNOPDRYNWTQI-SFHVURJKSA-N 1 2 377.897 2.934 20 30 GFEDLO Cn1c2cc(Br)ccc2[nH+]c1Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000516240241 564497865 /nfs/dbraw/zinc/49/78/65/564497865.db2.gz PXBSUZDQOKGQPO-UHFFFAOYSA-N 1 2 383.249 2.906 20 30 GFEDLO CN(Cc1c[nH+]c2ccc(C#N)cn12)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000580575558 564765177 /nfs/dbraw/zinc/76/51/77/564765177.db2.gz ZAKJWPBQRXLSEL-KRWDZBQOSA-N 1 2 398.264 2.627 20 30 GFEDLO Cc1cc(Br)cn2cc(CNC(=O)N[C@@H]3CCC[C@H]3C#N)[nH+]c12 ZINC000461936182 564808981 /nfs/dbraw/zinc/80/89/81/564808981.db2.gz MJIBZZUKSZSHDS-SMDDNHRTSA-N 1 2 376.258 2.897 20 30 GFEDLO N#Cc1cccc(NC(=O)C[N@@H+](CCO)Cc2cc(Br)cs2)c1 ZINC000494290356 564822272 /nfs/dbraw/zinc/82/22/72/564822272.db2.gz KVOZXXNCQBWIIJ-UHFFFAOYSA-N 1 2 394.294 2.815 20 30 GFEDLO N#Cc1cccc(NC(=O)C[N@H+](CCO)Cc2cc(Br)cs2)c1 ZINC000494290356 564822276 /nfs/dbraw/zinc/82/22/76/564822276.db2.gz KVOZXXNCQBWIIJ-UHFFFAOYSA-N 1 2 394.294 2.815 20 30 GFEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1=O ZINC000499939290 564940881 /nfs/dbraw/zinc/94/08/81/564940881.db2.gz KUAGYPQGQLKSCH-HOTGVXAUSA-N 1 2 382.291 2.817 20 30 GFEDLO C=CCN1CC[C@H]([N@H+](C)[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1=O ZINC000499939290 564940885 /nfs/dbraw/zinc/94/08/85/564940885.db2.gz KUAGYPQGQLKSCH-HOTGVXAUSA-N 1 2 382.291 2.817 20 30 GFEDLO C[N@@H+]1CC[C@@H](NS(=O)(=O)CC2(C#N)CCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000584746882 565094514 /nfs/dbraw/zinc/09/45/14/565094514.db2.gz OLZOLUXDNOILAM-HZPDHXFCSA-N 1 2 385.892 2.838 20 30 GFEDLO C[N@H+]1CC[C@@H](NS(=O)(=O)CC2(C#N)CCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000584746882 565094517 /nfs/dbraw/zinc/09/45/17/565094517.db2.gz OLZOLUXDNOILAM-HZPDHXFCSA-N 1 2 385.892 2.838 20 30 GFEDLO C[NH+](C)[C@H](CNS(=O)(=O)c1ccccc1CC#N)c1ccccc1Cl ZINC000619572282 565349205 /nfs/dbraw/zinc/34/92/05/565349205.db2.gz VIYRHEMBEMLYBU-QGZVFWFLSA-N 1 2 377.897 2.987 20 30 GFEDLO N#Cc1c(Cl)cccc1S(=O)(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000595394561 565472611 /nfs/dbraw/zinc/47/26/11/565472611.db2.gz HSXSQLLQLDTCOF-OAHLLOKOSA-N 1 2 375.881 2.764 20 30 GFEDLO N#Cc1c(Cl)cccc1S(=O)(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000595394561 565472615 /nfs/dbraw/zinc/47/26/15/565472615.db2.gz HSXSQLLQLDTCOF-OAHLLOKOSA-N 1 2 375.881 2.764 20 30 GFEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CC[C@H](c2cc(=O)[nH]c(=O)[nH]2)C1 ZINC000602866196 565871949 /nfs/dbraw/zinc/87/19/49/565871949.db2.gz UYQRHEBOILWTRE-NSHDSACASA-N 1 2 375.226 2.511 20 30 GFEDLO N#Cc1cc(Br)ccc1C[N@H+]1CC[C@H](c2cc(=O)[nH]c(=O)[nH]2)C1 ZINC000602866196 565871953 /nfs/dbraw/zinc/87/19/53/565871953.db2.gz UYQRHEBOILWTRE-NSHDSACASA-N 1 2 375.226 2.511 20 30 GFEDLO Cn1ccnc1[C@H]([NH2+]Cc1cc(C#N)ccc1Br)C(C)(C)CO ZINC000602881197 565873419 /nfs/dbraw/zinc/87/34/19/565873419.db2.gz KCOFLVUNTHOWAZ-HNNXBMFYSA-N 1 2 377.286 2.904 20 30 GFEDLO Cn1cc[nH+]c1[C@H](NCc1cc(C#N)ccc1Br)C(C)(C)CO ZINC000602881197 565873424 /nfs/dbraw/zinc/87/34/24/565873424.db2.gz KCOFLVUNTHOWAZ-HNNXBMFYSA-N 1 2 377.286 2.904 20 30 GFEDLO N#Cc1ccc(N[C@@H]2CCCN(CC[NH+]3CCOCC3)C2)c(Br)c1 ZINC000603424498 565905136 /nfs/dbraw/zinc/90/51/36/565905136.db2.gz YSNHRNULJYQLBG-MRXNPFEDSA-N 1 2 393.329 2.529 20 30 GFEDLO C[C@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC[S@]1=O ZINC000610081545 566064809 /nfs/dbraw/zinc/06/48/09/566064809.db2.gz FSEKNJUFWUSGQH-ZJWNCGCPSA-N 1 2 379.551 2.670 20 30 GFEDLO C[C@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC[S@]1=O ZINC000610081545 566064811 /nfs/dbraw/zinc/06/48/11/566064811.db2.gz FSEKNJUFWUSGQH-ZJWNCGCPSA-N 1 2 379.551 2.670 20 30 GFEDLO N#Cc1ccc(C[N@H+](Cc2nnc(-c3cccc(-c4nn[nH]n4)c3)o2)C2CC2)cc1 ZINC000822825294 599568735 /nfs/dbraw/zinc/56/87/35/599568735.db2.gz AYVJMQBJPCBKRX-UHFFFAOYSA-N 1 2 398.430 2.953 20 30 GFEDLO N#Cc1ccc(C[N@@H+](Cc2nnc(-c3cccc(-c4nn[nH]n4)c3)o2)C2CC2)cc1 ZINC000822825294 599568737 /nfs/dbraw/zinc/56/87/37/599568737.db2.gz AYVJMQBJPCBKRX-UHFFFAOYSA-N 1 2 398.430 2.953 20 30 GFEDLO C=CCOc1cccc(C[NH+]2CCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000823932315 608501181 /nfs/dbraw/zinc/50/11/81/608501181.db2.gz UMZFAPNFTNFMFD-UHFFFAOYSA-N 1 2 390.491 2.749 20 30 GFEDLO C=C(Cl)CSc1nc(C)c(CC(=O)NCC[N@H+]2CCOC[C@@H]2C)s1 ZINC000819243391 660251868 /nfs/dbraw/zinc/25/18/68/660251868.db2.gz WDOJGFFAFJOMLE-LBPRGKRZSA-N 1 2 389.974 2.676 20 30 GFEDLO C=C(Cl)CSc1nc(C)c(CC(=O)NCC[N@@H+]2CCOC[C@@H]2C)s1 ZINC000819243391 660251872 /nfs/dbraw/zinc/25/18/72/660251872.db2.gz WDOJGFFAFJOMLE-LBPRGKRZSA-N 1 2 389.974 2.676 20 30 GFEDLO C#C[C@H](NC(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C)c1ccc(Br)cc1 ZINC000820610859 660299438 /nfs/dbraw/zinc/29/94/38/660299438.db2.gz FPAAXKVUAUUKCD-ZQIUZPCESA-N 1 2 394.313 2.532 20 30 GFEDLO C#C[C@H](NC(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C)c1ccc(Br)cc1 ZINC000820610859 660299443 /nfs/dbraw/zinc/29/94/43/660299443.db2.gz FPAAXKVUAUUKCD-ZQIUZPCESA-N 1 2 394.313 2.532 20 30 GFEDLO COC(=O)C1(C#N)CCN(Cc2c[nH+]c3c(C)cc(Br)cn23)CC1 ZINC000824871703 660403845 /nfs/dbraw/zinc/40/38/45/660403845.db2.gz JRGDBLLYCOENHB-UHFFFAOYSA-N 1 2 391.269 2.684 20 30 GFEDLO C[C@@H](NC(=O)CO[NH+]=C(N)c1ccccc1)c1ccc(Br)cc1 ZINC000014234671 654505481 /nfs/dbraw/zinc/50/54/81/654505481.db2.gz HZLZNQHLKFMXMC-GFCCVEGCSA-N 1 2 376.254 2.963 20 30 GFEDLO C[C@H](O[NH+]=C(N)Cc1cccnc1)C(=O)Nc1ccc(Br)cc1 ZINC000122414892 654736016 /nfs/dbraw/zinc/73/60/16/654736016.db2.gz GONBLBXUMULSOA-NSHDSACASA-N 1 2 377.242 2.703 20 30 GFEDLO N#Cc1cc(Br)cc(S(=O)(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000268035857 654956755 /nfs/dbraw/zinc/95/67/55/654956755.db2.gz FZUMKJNSORUSNR-LBPRGKRZSA-N 1 2 395.282 2.612 20 30 GFEDLO C#CCCS(=O)(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000289075158 655344340 /nfs/dbraw/zinc/34/43/40/655344340.db2.gz FVOKVLLPSVAKHI-UHFFFAOYSA-N 1 2 375.321 2.901 20 30 GFEDLO O=C1Nc2c(cc(Br)cc2Cl)C1=NNC1=[NH+][C@@H]2CCCC[C@H]2N1 ZINC000753934838 655861099 /nfs/dbraw/zinc/86/10/99/655861099.db2.gz KOCBHHGIHGHNHV-GHMZBOCLSA-N 1 2 396.676 2.619 20 30 GFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2C)CC1 ZINC000800744751 659329499 /nfs/dbraw/zinc/32/94/99/659329499.db2.gz SOAYJPZSDBFFQW-UHFFFAOYSA-N 1 2 394.704 2.653 20 30 GFEDLO N#Cc1ccc(-c2cc(N3CC[NH+](CC4(Br)CC4)CC3)n[nH]2)cc1 ZINC000852490985 661865670 /nfs/dbraw/zinc/86/56/70/661865670.db2.gz RIVCCEVHFMQSLR-UHFFFAOYSA-N 1 2 386.297 2.998 20 30 GFEDLO C[NH+]1CCN(c2ccc(NC[C@H](O)CC(C)(C)C#N)cc2Br)CC1 ZINC000857242481 662069352 /nfs/dbraw/zinc/06/93/52/662069352.db2.gz FJVSQHVVDBYBHO-OAHLLOKOSA-N 1 2 395.345 2.914 20 30 GFEDLO CSc1nnc(SC)n1[NH+]=C[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C ZINC000872417717 662765220 /nfs/dbraw/zinc/76/52/20/662765220.db2.gz LIUNHKMXIDQUNR-SNVBAGLBSA-N 1 2 387.531 2.928 20 30 GFEDLO C[C@H]([NH2+]Cc1cc(C#N)cnc1Cl)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000877003670 662869520 /nfs/dbraw/zinc/86/95/20/662869520.db2.gz XVUMFWQCVHXJKV-LBPRGKRZSA-N 1 2 378.885 2.708 20 30 GFEDLO N#Cc1ccccc1NC1CC[NH+](C[C@@H](O)c2cc(Br)no2)CC1 ZINC000878961800 662911409 /nfs/dbraw/zinc/91/14/09/662911409.db2.gz IBNMFKDGJZWWMW-OAHLLOKOSA-N 1 2 391.269 2.919 20 30 GFEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@@H]1c1ccc(Br)cc1C ZINC000884439998 663070793 /nfs/dbraw/zinc/07/07/93/663070793.db2.gz VXXPURJQOAYHAU-JKSUJKDBSA-N 1 2 395.297 2.868 20 30 GFEDLO N#C[C@H](c1ccc(Br)cc1)N1CC[NH+](Cc2ccc(N)nc2)CC1 ZINC000930151237 664763557 /nfs/dbraw/zinc/76/35/57/664763557.db2.gz VJCXABMJKUCLJU-QGZVFWFLSA-N 1 2 386.297 2.809 20 30 GFEDLO N#C[C@@H](c1ccc(Br)cc1)N1CC[NH+](Cc2ccc(N)nc2)CC1 ZINC000930151236 664763664 /nfs/dbraw/zinc/76/36/64/664763664.db2.gz VJCXABMJKUCLJU-KRWDZBQOSA-N 1 2 386.297 2.809 20 30 GFEDLO N#Cc1cnc(Cl)cc1N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164945038 721970193 /nfs/dbraw/zinc/97/01/93/721970193.db2.gz NLSDRYFVWYDABL-UHFFFAOYSA-N 1 2 395.894 2.578 20 30 GFEDLO N#Cc1cnc(Cl)cc1N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164945038 721970195 /nfs/dbraw/zinc/97/01/95/721970195.db2.gz NLSDRYFVWYDABL-UHFFFAOYSA-N 1 2 395.894 2.578 20 30 GFEDLO N#Cc1cc(C(F)(F)N2CC[NH+](CCc3ccccn3)CC2)cnc1Cl ZINC001165056584 722013019 /nfs/dbraw/zinc/01/30/19/722013019.db2.gz XGNLIVXECNGNPK-UHFFFAOYSA-N 1 2 377.826 2.911 20 30 GFEDLO N#Cc1cc(Br)cc(S(=O)(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)c1 ZINC000359959105 206273602 /nfs/dbraw/zinc/27/36/02/206273602.db2.gz LNAWJHUBMBRCHE-ZDUSSCGKSA-N 1 2 381.255 2.570 20 30 GFEDLO N#CCCCC[NH+]1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000058338436 551183098 /nfs/dbraw/zinc/18/30/98/551183098.db2.gz IYPGLPAZUOHBBY-UHFFFAOYSA-N 1 2 376.309 2.994 20 30 GFEDLO C=CCOc1c(Br)cc(C[N@H+](C)CC(=O)NC2CC2)cc1OC ZINC000120345870 551219451 /nfs/dbraw/zinc/21/94/51/551219451.db2.gz RXFFPVFFKAMKFE-UHFFFAOYSA-N 1 2 383.286 2.733 20 30 GFEDLO C=CCOc1c(Br)cc(C[N@@H+](C)CC(=O)NC2CC2)cc1OC ZINC000120345870 551219452 /nfs/dbraw/zinc/21/94/52/551219452.db2.gz RXFFPVFFKAMKFE-UHFFFAOYSA-N 1 2 383.286 2.733 20 30 GFEDLO C[N@H+](CC(=O)Nc1cccc(C#N)c1)[C@@H](CO)c1cccc(Br)c1 ZINC000125664614 551322506 /nfs/dbraw/zinc/32/25/06/551322506.db2.gz LXTJYJFBGFQICJ-KRWDZBQOSA-N 1 2 388.265 2.925 20 30 GFEDLO C[N@@H+](CC(=O)Nc1cccc(C#N)c1)[C@@H](CO)c1cccc(Br)c1 ZINC000125664614 551322507 /nfs/dbraw/zinc/32/25/07/551322507.db2.gz LXTJYJFBGFQICJ-KRWDZBQOSA-N 1 2 388.265 2.925 20 30 GFEDLO Cc1oc(NC(=O)C[N@@H+](C)Cc2cc(Br)cn2C)c(C#N)c1C ZINC000151504355 551414623 /nfs/dbraw/zinc/41/46/23/551414623.db2.gz NKHHRISJCFCVLC-UHFFFAOYSA-N 1 2 379.258 2.940 20 30 GFEDLO Cc1oc(NC(=O)C[N@H+](C)Cc2cc(Br)cn2C)c(C#N)c1C ZINC000151504355 551414625 /nfs/dbraw/zinc/41/46/25/551414625.db2.gz NKHHRISJCFCVLC-UHFFFAOYSA-N 1 2 379.258 2.940 20 30 GFEDLO N#Cc1cccnc1N1CC[NH+](Cc2cc(Br)cc3c2OCC3)CC1 ZINC000153719170 551459156 /nfs/dbraw/zinc/45/91/56/551459156.db2.gz DKIYLTBSWYPFON-UHFFFAOYSA-N 1 2 399.292 2.973 20 30 GFEDLO N#CCCN(C(=O)C[N@H+]1CC[C@@](O)(C(F)(F)F)C1)c1cccc(Cl)c1 ZINC000175788884 552129129 /nfs/dbraw/zinc/12/91/29/552129129.db2.gz KNGYPRAPVJLPAK-HNNXBMFYSA-N 1 2 375.778 2.586 20 30 GFEDLO N#CCCN(C(=O)C[N@@H+]1CC[C@@](O)(C(F)(F)F)C1)c1cccc(Cl)c1 ZINC000175788884 552129132 /nfs/dbraw/zinc/12/91/32/552129132.db2.gz KNGYPRAPVJLPAK-HNNXBMFYSA-N 1 2 375.778 2.586 20 30 GFEDLO N#Cc1ccc(S(=O)(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)c(Cl)c1 ZINC000183401750 552308394 /nfs/dbraw/zinc/30/83/94/552308394.db2.gz YTCFBMLZVCSIJK-HNNXBMFYSA-N 1 2 379.869 2.920 20 30 GFEDLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)c1ccc(Br)cc1C#N ZINC000295858898 563265480 /nfs/dbraw/zinc/26/54/80/563265480.db2.gz DRTGUPCCFREDIM-UHFFFAOYSA-N 1 2 380.286 2.504 20 30 GFEDLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)c1ccc(Br)cc1C#N ZINC000295858898 563265482 /nfs/dbraw/zinc/26/54/82/563265482.db2.gz DRTGUPCCFREDIM-UHFFFAOYSA-N 1 2 380.286 2.504 20 30 GFEDLO N#C[C@H]1CC[C@H]([NH+]2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000278661233 563265645 /nfs/dbraw/zinc/26/56/45/563265645.db2.gz QMLZZBLOLBHAHX-STQMWFEESA-N 1 2 388.320 2.992 20 30 GFEDLO N#Cc1ncn(C2CC[NH+](CC(=O)Nc3ccc(Cl)c(Cl)c3)CC2)n1 ZINC000373399885 563336917 /nfs/dbraw/zinc/33/69/17/563336917.db2.gz NHZLAZBXHXTQEC-UHFFFAOYSA-N 1 2 379.251 2.732 20 30 GFEDLO Cc1ccc2c(ncc(C#N)c2NC[C@H]2CN(C)CC[N@@H+]2C)c1Br ZINC000280825636 563355873 /nfs/dbraw/zinc/35/58/73/563355873.db2.gz YOWDZXZINBMHIO-AWEZNQCLSA-N 1 2 388.313 2.835 20 30 GFEDLO Cc1ccc2c(ncc(C#N)c2NC[C@H]2CN(C)CC[N@H+]2C)c1Br ZINC000280825636 563355876 /nfs/dbraw/zinc/35/58/76/563355876.db2.gz YOWDZXZINBMHIO-AWEZNQCLSA-N 1 2 388.313 2.835 20 30 GFEDLO N#Cc1ccc(S(=O)(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)o1 ZINC000376271683 563435432 /nfs/dbraw/zinc/43/54/32/563435432.db2.gz CWPWGOMDLDZHRI-UHFFFAOYSA-N 1 2 379.869 2.701 20 30 GFEDLO N#Cc1ccc(S(=O)(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)o1 ZINC000376271683 563435433 /nfs/dbraw/zinc/43/54/33/563435433.db2.gz CWPWGOMDLDZHRI-UHFFFAOYSA-N 1 2 379.869 2.701 20 30 GFEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)Nc3cccc4cc(Br)cnc43)C[C@H]21 ZINC000329242146 563476666 /nfs/dbraw/zinc/47/66/66/563476666.db2.gz OCGNLCQHSMPSQR-HUUCEWRRSA-N 1 2 391.269 2.558 20 30 GFEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)Nc3cccc4cc(Br)cnc43)C[C@H]21 ZINC000329242146 563476667 /nfs/dbraw/zinc/47/66/67/563476667.db2.gz OCGNLCQHSMPSQR-HUUCEWRRSA-N 1 2 391.269 2.558 20 30 GFEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CC[S@](=O)C[C@@H](C)C3)n2)C1 ZINC000329337824 563478132 /nfs/dbraw/zinc/47/81/32/563478132.db2.gz QCKLKYBJMXHLGN-JXQWACKNSA-N 1 2 384.571 2.621 20 30 GFEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CC[S@](=O)C[C@@H](C)C3)n2)C1 ZINC000329337824 563478135 /nfs/dbraw/zinc/47/81/35/563478135.db2.gz QCKLKYBJMXHLGN-JXQWACKNSA-N 1 2 384.571 2.621 20 30 GFEDLO C=CCN1CC[C@@H]([NH+]2CCN([C@@H](C)c3ccc(Br)cc3)CC2)C1=O ZINC000410385418 563589217 /nfs/dbraw/zinc/58/92/17/563589217.db2.gz WYSAWIKERNZCPZ-MAUKXSAKSA-N 1 2 392.341 2.915 20 30 GFEDLO CCc1nc(C)c([C@H](C)[N@H+](C)CCS(=O)(=O)c2ccc(C#N)cn2)s1 ZINC000290253022 563702600 /nfs/dbraw/zinc/70/26/00/563702600.db2.gz KAFMUCGOFGIXJW-ZDUSSCGKSA-N 1 2 378.523 2.747 20 30 GFEDLO CCc1nc(C)c([C@H](C)[N@@H+](C)CCS(=O)(=O)c2ccc(C#N)cn2)s1 ZINC000290253022 563702602 /nfs/dbraw/zinc/70/26/02/563702602.db2.gz KAFMUCGOFGIXJW-ZDUSSCGKSA-N 1 2 378.523 2.747 20 30 GFEDLO Cc1cc(C[NH+]2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)ncn1 ZINC000293358569 563809560 /nfs/dbraw/zinc/80/95/60/563809560.db2.gz YHOFCRXBEPTISZ-SFHVURJKSA-N 1 2 386.297 2.930 20 30 GFEDLO CC(C)[C@@H](NS(=O)(=O)c1cc(Br)ccc1C#N)c1[nH]cc[nH+]1 ZINC000416481660 563835655 /nfs/dbraw/zinc/83/56/55/563835655.db2.gz CYQDHKVFTGBQKM-CYBMUJFWSA-N 1 2 383.271 2.719 20 30 GFEDLO N#Cc1c(Br)cccc1OCC(=O)NC[C@H]1CCCn2cc[nH+]c21 ZINC000450185463 564221005 /nfs/dbraw/zinc/22/10/05/564221005.db2.gz SGZWEJSZBDBNTQ-GFCCVEGCSA-N 1 2 389.253 2.590 20 30 GFEDLO Cc1nn(C)cc1C[NH+]1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000450656214 564242658 /nfs/dbraw/zinc/24/26/58/564242658.db2.gz JVJDCMKEPNWZAB-GOSISDBHSA-N 1 2 388.313 2.874 20 30 GFEDLO CN(CCOc1ccc(Br)cc1)C(=O)C[NH+]1CCC(F)(C#N)CC1 ZINC000510952438 564351057 /nfs/dbraw/zinc/35/10/57/564351057.db2.gz ONJUYITUPZFEFL-UHFFFAOYSA-N 1 2 398.276 2.614 20 30 GFEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000454359986 564508458 /nfs/dbraw/zinc/50/84/58/564508458.db2.gz SPCGBDBUQYTBLF-KGLIPLIRSA-N 1 2 379.258 2.630 20 30 GFEDLO C[C@@H]1C[C@H](NC(=O)COc2ccc(C#N)c(Br)c2)c2[nH+]ccn21 ZINC000518324513 564550497 /nfs/dbraw/zinc/55/04/97/564550497.db2.gz ZHGIJPDTITVYRV-YGRLFVJLSA-N 1 2 375.226 2.718 20 30 GFEDLO CC1(C)C[N@H+](CCS(=O)(=O)c2ccc(C#N)cn2)CC[C@@H]1C(F)(F)F ZINC000571957804 564574632 /nfs/dbraw/zinc/57/46/32/564574632.db2.gz WSTJFWUMSPQXFS-ZDUSSCGKSA-N 1 2 375.416 2.637 20 30 GFEDLO CC1(C)C[N@@H+](CCS(=O)(=O)c2ccc(C#N)cn2)CC[C@@H]1C(F)(F)F ZINC000571957804 564574635 /nfs/dbraw/zinc/57/46/35/564574635.db2.gz WSTJFWUMSPQXFS-ZDUSSCGKSA-N 1 2 375.416 2.637 20 30 GFEDLO CS(=O)(=O)c1ccc(C[NH2+]Cc2nc(C#N)cs2)cc1C(F)(F)F ZINC000573048138 564620737 /nfs/dbraw/zinc/62/07/37/564620737.db2.gz PVXGJWFWFKDRMR-UHFFFAOYSA-N 1 2 375.397 2.727 20 30 GFEDLO C=CC[C@H](C)NC(=O)C[NH+]1CCN(Cc2ccc(Br)cc2F)CC1 ZINC000522665593 564653817 /nfs/dbraw/zinc/65/38/17/564653817.db2.gz LHSYBAGMGLPDLD-AWEZNQCLSA-N 1 2 398.320 2.787 20 30 GFEDLO C=CCOc1ccc(Br)cc1NC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000459664890 564755580 /nfs/dbraw/zinc/75/55/80/564755580.db2.gz CCADTAGKYVCKPG-ZDUSSCGKSA-N 1 2 398.301 2.856 20 30 GFEDLO N#Cc1ccc([C@@H]([NH2+]Cc2cc(Br)cc3c2OCC3)C(N)=O)cc1 ZINC000462371025 564836061 /nfs/dbraw/zinc/83/60/61/564836061.db2.gz PEPJAXNSVNZATI-MRXNPFEDSA-N 1 2 386.249 2.572 20 30 GFEDLO N#Cc1cc(Cl)ccc1S(=O)(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000462550782 564847371 /nfs/dbraw/zinc/84/73/71/564847371.db2.gz NAJJIKUDRDRIDL-UHFFFAOYSA-N 1 2 395.937 2.822 20 30 GFEDLO C[C@H]1C[C@H](NS(=O)(=O)c2ccc(C#N)c(Br)c2)c2[nH+]ccn21 ZINC000582946147 564869192 /nfs/dbraw/zinc/86/91/92/564869192.db2.gz UBFDIHJGPNZXEM-ZANVPECISA-N 1 2 381.255 2.502 20 30 GFEDLO C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)[N@H+](C)Cc1nc(C#N)cs1 ZINC000558575589 564907302 /nfs/dbraw/zinc/90/73/02/564907302.db2.gz PWJLWLRVMQKCGD-ZDUSSCGKSA-N 1 2 376.507 2.748 20 30 GFEDLO C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)[N@@H+](C)Cc1nc(C#N)cs1 ZINC000558575589 564907307 /nfs/dbraw/zinc/90/73/07/564907307.db2.gz PWJLWLRVMQKCGD-ZDUSSCGKSA-N 1 2 376.507 2.748 20 30 GFEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)C(=O)Nc2ccc(Br)c(C)c2)C1=O ZINC000499948463 564941183 /nfs/dbraw/zinc/94/11/83/564941183.db2.gz BDNASAQDEVIQHF-CZUORRHYSA-N 1 2 394.313 2.803 20 30 GFEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](C)C(=O)Nc2ccc(Br)c(C)c2)C1=O ZINC000499948463 564941187 /nfs/dbraw/zinc/94/11/87/564941187.db2.gz BDNASAQDEVIQHF-CZUORRHYSA-N 1 2 394.313 2.803 20 30 GFEDLO N#Cc1c(Br)cccc1S(=O)(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000588114350 565126772 /nfs/dbraw/zinc/12/67/72/565126772.db2.gz GHXVBTLFPPBRDK-GFCCVEGCSA-N 1 2 395.282 2.543 20 30 GFEDLO CCOCCOc1ccc(Br)cc1C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592522509 565280900 /nfs/dbraw/zinc/28/09/00/565280900.db2.gz NTRLANFELUHEAV-QGZVFWFLSA-N 1 2 383.286 2.715 20 30 GFEDLO CCOCCOc1ccc(Br)cc1C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592522509 565280904 /nfs/dbraw/zinc/28/09/04/565280904.db2.gz NTRLANFELUHEAV-QGZVFWFLSA-N 1 2 383.286 2.715 20 30 GFEDLO C=CC[N@H+](CC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1)C(C)(C)C ZINC000661755508 565338208 /nfs/dbraw/zinc/33/82/08/565338208.db2.gz NLAOSCWBBZUKES-OAHLLOKOSA-N 1 2 384.567 2.550 20 30 GFEDLO C=CC[N@@H+](CC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1)C(C)(C)C ZINC000661755508 565338211 /nfs/dbraw/zinc/33/82/11/565338211.db2.gz NLAOSCWBBZUKES-OAHLLOKOSA-N 1 2 384.567 2.550 20 30 GFEDLO N#Cc1sccc1S(=O)(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000593587727 565345396 /nfs/dbraw/zinc/34/53/96/565345396.db2.gz XTPOVHAQOGIYCL-UHFFFAOYSA-N 1 2 376.507 2.721 20 30 GFEDLO N#Cc1ccc(S(=O)(=O)NCc2ccc[nH+]c2N2CCCC2)c(Cl)c1 ZINC000594803221 565422533 /nfs/dbraw/zinc/42/25/33/565422533.db2.gz MSIBBALRRDFXND-UHFFFAOYSA-N 1 2 376.869 2.685 20 30 GFEDLO C[C@@H]1C[NH+](Cc2nnc(-c3ccccc3Br)o2)C[C@@H](C)N1CC#N ZINC000602854928 565869958 /nfs/dbraw/zinc/86/99/58/565869958.db2.gz FEAMNZPDBWPLIT-CHWSQXEVSA-N 1 2 390.285 2.917 20 30 GFEDLO C[C@@H]1C[N@@H+](Cc2nnc(-c3ccc(Br)o3)o2)C[C@H](C)N1CC#N ZINC000602857623 565871508 /nfs/dbraw/zinc/87/15/08/565871508.db2.gz UJKRCIKVCZGEKA-PHIMTYICSA-N 1 2 380.246 2.510 20 30 GFEDLO C[C@@H]1C[N@H+](Cc2nnc(-c3ccc(Br)o3)o2)C[C@H](C)N1CC#N ZINC000602857623 565871512 /nfs/dbraw/zinc/87/15/12/565871512.db2.gz UJKRCIKVCZGEKA-PHIMTYICSA-N 1 2 380.246 2.510 20 30 GFEDLO C[C@H](NC(=O)C[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1)c1ccc(Br)cc1 ZINC000602857739 565871632 /nfs/dbraw/zinc/87/16/32/565871632.db2.gz UONSLOGGKHUJMR-KKUMJFAQSA-N 1 2 393.329 2.544 20 30 GFEDLO C[C@H]1C[NH+](Cc2nnc(-c3ccc(Br)o3)o2)C[C@H](C)N1CC#N ZINC000602857624 565871665 /nfs/dbraw/zinc/87/16/65/565871665.db2.gz UJKRCIKVCZGEKA-QWRGUYRKSA-N 1 2 380.246 2.510 20 30 GFEDLO C#CC[NH+](CC#C)Cc1ccc(OCc2cccc(-c3nn[nH]n3)c2)c(OC)c1 ZINC000819697671 606503272 /nfs/dbraw/zinc/50/32/72/606503272.db2.gz JGFBYRREMQNMMC-UHFFFAOYSA-N 1 2 387.443 2.523 20 30 GFEDLO N#Cc1ccc(F)cc1C[NH+]1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000822829817 607064417 /nfs/dbraw/zinc/06/44/17/607064417.db2.gz KOUABPRQCQTGDT-UHFFFAOYSA-N 1 2 378.411 2.921 20 30 GFEDLO C[C@H](C(=O)Nc1ccc(I)cc1)[NH+]1CCC(C#N)CC1 ZINC000057878437 654811326 /nfs/dbraw/zinc/81/13/26/654811326.db2.gz RYYAJRIITHQCJC-LLVKDONJSA-N 1 2 383.233 2.854 20 30 GFEDLO N#Cc1cnn2cc(C[NH+]3CCN(c4cccc(Br)c4)CC3)cnc12 ZINC000574877105 655432686 /nfs/dbraw/zinc/43/26/86/655432686.db2.gz IWHPTJUHOMTNRH-UHFFFAOYSA-N 1 2 397.280 2.686 20 30 GFEDLO C#CC[N@@H+](CCN1CCOC1=O)[C@@H]1CCOc2ccc(Br)cc21 ZINC000733613658 655618626 /nfs/dbraw/zinc/61/86/26/655618626.db2.gz FUMQQTAXSGGTPK-OAHLLOKOSA-N 1 2 379.254 2.660 20 30 GFEDLO C#CC[N@H+](CCN1CCOC1=O)[C@@H]1CCOc2ccc(Br)cc21 ZINC000733613658 655618627 /nfs/dbraw/zinc/61/86/27/655618627.db2.gz FUMQQTAXSGGTPK-OAHLLOKOSA-N 1 2 379.254 2.660 20 30 GFEDLO CCOc1cc(C#N)cc(Br)c1OCC(=O)OCCn1cc[nH+]c1 ZINC000771910660 656365755 /nfs/dbraw/zinc/36/57/55/656365755.db2.gz IQACQECJRYEVMN-UHFFFAOYSA-N 1 2 394.225 2.538 20 30 GFEDLO CN(Cc1ccc(F)cc1)C(=O)CO[NH+]=C(N)c1ccc(Br)cc1 ZINC000782949299 657195840 /nfs/dbraw/zinc/19/58/40/657195840.db2.gz SXZZZNULIXYFFH-UHFFFAOYSA-N 1 2 394.244 2.884 20 30 GFEDLO O=C1Nc2ccc(Br)c(Cl)c2C1=NNC1=[NH+][C@@H]2CCCC[C@@H]2N1 ZINC000788024272 657635320 /nfs/dbraw/zinc/63/53/20/657635320.db2.gz LTYGAQZKXQHTMD-DTORHVGOSA-N 1 2 396.676 2.619 20 30 GFEDLO C=CCOc1c(Br)cc(C[N@@H+]2C[C@H]3[C@H](C(=O)OC)[C@H]3C2)cc1OC ZINC000814173002 660073658 /nfs/dbraw/zinc/07/36/58/660073658.db2.gz GDSFUGODZDOFPG-VIKVFOODSA-N 1 2 396.281 2.873 20 30 GFEDLO C=CCOc1c(Br)cc(C[N@H+]2C[C@H]3[C@H](C(=O)OC)[C@H]3C2)cc1OC ZINC000814173002 660073661 /nfs/dbraw/zinc/07/36/61/660073661.db2.gz GDSFUGODZDOFPG-VIKVFOODSA-N 1 2 396.281 2.873 20 30 GFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCCC3SCCS3)CC2)cc1 ZINC000852679167 661871079 /nfs/dbraw/zinc/87/10/79/661871079.db2.gz WOMCGNIITCSFIB-UHFFFAOYSA-N 1 2 376.551 2.582 20 30 GFEDLO O=C(C[NH+]1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)NCC1CC1 ZINC000932941197 664843491 /nfs/dbraw/zinc/84/34/91/664843491.db2.gz BFZQODFPEWUDEU-RKDXNWHRSA-N 1 2 380.279 2.615 20 30 GFEDLO N#Cc1nc(Cl)ccc1C(F)(F)N1CC[NH+](CCc2ccccn2)CC1 ZINC001165053274 722011147 /nfs/dbraw/zinc/01/11/47/722011147.db2.gz DXNHOTZCXUVRKK-UHFFFAOYSA-N 1 2 377.826 2.911 20 30 GFEDLO C[C@H]([NH2+][C@@H]1CCC[C@@H]1C#N)C(=O)Nc1cccc(I)c1 ZINC000331324888 563545756 /nfs/dbraw/zinc/54/57/56/563545756.db2.gz FZPZUEBXVXKYHE-MISXGVKJSA-N 1 2 383.233 2.900 20 30 GFEDLO CN(CCOc1ccc(Br)cc1)C(=O)C[N@H+](C)CC(C)(C)C#N ZINC000433296822 563609030 /nfs/dbraw/zinc/60/90/30/563609030.db2.gz JOMIIVAIPCQRND-UHFFFAOYSA-N 1 2 382.302 2.768 20 30 GFEDLO CN(CCOc1ccc(Br)cc1)C(=O)C[N@@H+](C)CC(C)(C)C#N ZINC000433296822 563609032 /nfs/dbraw/zinc/60/90/32/563609032.db2.gz JOMIIVAIPCQRND-UHFFFAOYSA-N 1 2 382.302 2.768 20 30 GFEDLO N#Cc1cc(S(=O)(=O)NCc2ccc(N3CCCC3)[nH+]c2)ccc1Cl ZINC000055237974 551171686 /nfs/dbraw/zinc/17/16/86/551171686.db2.gz QYFYDJIFMWKITL-UHFFFAOYSA-N 1 2 376.869 2.685 20 30 GFEDLO Cn1cc[nH+]c1C[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2C#N)C1 ZINC000122121355 551294726 /nfs/dbraw/zinc/29/47/26/551294726.db2.gz UFESPTDYWFCZRU-ZDUSSCGKSA-N 1 2 378.885 2.589 20 30 GFEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN([C@@H](C)c2ccc(Br)cc2)CC1 ZINC000173855333 552094879 /nfs/dbraw/zinc/09/48/79/552094879.db2.gz XRESIMZRMOMVMV-LSDHHAIUSA-N 1 2 380.330 2.818 20 30 GFEDLO COc1ccc(Cl)cc1NC(=O)[C@H](C)O[NH+]=C(N)Cc1csc(C)n1 ZINC000174114467 552099445 /nfs/dbraw/zinc/09/94/45/552099445.db2.gz BEWBPZWTRUPHHR-VIFPVBQESA-N 1 2 382.873 2.972 20 30 GFEDLO C=CCNC(=O)C[N@@H+](C)Cc1cccc(Br)c1OC[C@H]1CCCO1 ZINC000190514389 552499258 /nfs/dbraw/zinc/49/92/58/552499258.db2.gz YUFCSPFPWOCGAU-OAHLLOKOSA-N 1 2 397.313 2.741 20 30 GFEDLO C=CCNC(=O)C[N@H+](C)Cc1cccc(Br)c1OC[C@H]1CCCO1 ZINC000190514389 552499261 /nfs/dbraw/zinc/49/92/61/552499261.db2.gz YUFCSPFPWOCGAU-OAHLLOKOSA-N 1 2 397.313 2.741 20 30 GFEDLO C[N@@H+](CC(=O)NC1(C#N)CCCCC1)C[C@H](O)c1ccccc1Br ZINC000295236952 563237835 /nfs/dbraw/zinc/23/78/35/563237835.db2.gz DCLHALYSYIVEKH-INIZCTEOSA-N 1 2 394.313 2.757 20 30 GFEDLO C[N@H+](CC(=O)NC1(C#N)CCCCC1)C[C@H](O)c1ccccc1Br ZINC000295236952 563237836 /nfs/dbraw/zinc/23/78/36/563237836.db2.gz DCLHALYSYIVEKH-INIZCTEOSA-N 1 2 394.313 2.757 20 30 GFEDLO N#Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)cc1Br ZINC000278921263 563276274 /nfs/dbraw/zinc/27/62/74/563276274.db2.gz WOVLZWLFPVTCPV-CQSZACIVSA-N 1 2 395.282 2.960 20 30 GFEDLO C[C@@H]1CN(c2ccc(CNc3ncc(Br)cc3C#N)c[nH+]2)CCO1 ZINC000296194044 563278049 /nfs/dbraw/zinc/27/80/49/563278049.db2.gz BQZGUAXBYNVIAX-GFCCVEGCSA-N 1 2 388.269 2.948 20 30 GFEDLO C[N@@H+](CC(=O)Nc1sccc1C#N)C[C@H](O)c1cccc(Br)c1 ZINC000298109398 563344824 /nfs/dbraw/zinc/34/48/24/563344824.db2.gz JMPIEBSLLNRCFI-AWEZNQCLSA-N 1 2 394.294 2.986 20 30 GFEDLO C[N@H+](CC(=O)Nc1sccc1C#N)C[C@H](O)c1cccc(Br)c1 ZINC000298109398 563344827 /nfs/dbraw/zinc/34/48/27/563344827.db2.gz JMPIEBSLLNRCFI-AWEZNQCLSA-N 1 2 394.294 2.986 20 30 GFEDLO [O-]C(N[C@@H]1CCc2[nH]c[nH+]c2C1)=[NH+][C@H]1COc2cc(F)c(Br)cc21 ZINC000329631457 563484842 /nfs/dbraw/zinc/48/48/42/563484842.db2.gz VWQUQBKMIJDOPE-CLAHSXSESA-N 1 2 395.232 2.806 20 30 GFEDLO [O-]C(N[C@@H]1CCc2[nH+]c[nH]c2C1)=[NH+][C@H]1COc2cc(F)c(Br)cc21 ZINC000329631457 563484846 /nfs/dbraw/zinc/48/48/46/563484846.db2.gz VWQUQBKMIJDOPE-CLAHSXSESA-N 1 2 395.232 2.806 20 30 GFEDLO C[C@H](NC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)c1nc(C(F)(F)F)cs1 ZINC000330238110 563499975 /nfs/dbraw/zinc/49/99/75/563499975.db2.gz VABLWZOGKCCTLE-WDEREUQCSA-N 1 2 378.420 2.543 20 30 GFEDLO N#Cc1sc(N(CCC[NH+]2CCOCC2)Cc2ccncc2)nc1Cl ZINC000286136733 563549675 /nfs/dbraw/zinc/54/96/75/563549675.db2.gz HPJVMWFDHLBYKA-UHFFFAOYSA-N 1 2 377.901 2.792 20 30 GFEDLO C[C@@H]([NH2+][C@@H](C)C(=O)NC1(C#N)CCCCC1)c1ncc(Br)cn1 ZINC000431078001 563552784 /nfs/dbraw/zinc/55/27/84/563552784.db2.gz RIVPWKLORNOPRT-NEPJUHHUSA-N 1 2 380.290 2.621 20 30 GFEDLO N#Cc1ccsc1N1CC[C@@H]([NH2+][C@@H](CO)c2cccc(Cl)c2F)C1=O ZINC000411669258 563628860 /nfs/dbraw/zinc/62/88/60/563628860.db2.gz JDVINTXJBBNLQV-KGLIPLIRSA-N 1 2 379.844 2.841 20 30 GFEDLO N#Cc1ccc(NC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)cc1Cl ZINC000361651128 563700616 /nfs/dbraw/zinc/70/06/16/563700616.db2.gz AQWHPYYMXHGZJC-QGZVFWFLSA-N 1 2 380.901 2.541 20 30 GFEDLO N#Cc1cccc(C(=O)N2CC[NH+](Cc3cccnc3)CC2)c1Br ZINC000448647290 563899542 /nfs/dbraw/zinc/89/95/42/563899542.db2.gz LJINBDSSGDELBL-UHFFFAOYSA-N 1 2 385.265 2.674 20 30 GFEDLO CC(C)[C@H](NC(=O)COc1ccc(C#N)c(Br)c1)c1[nH]cc[nH+]1 ZINC000451102720 564275007 /nfs/dbraw/zinc/27/50/07/564275007.db2.gz KFMFFTQFCUPQQM-HNNXBMFYSA-N 1 2 377.242 2.936 20 30 GFEDLO N#C[C@@H](c1ccc(Br)cc1)N1CC[NH+](Cc2ncccc2O)CC1 ZINC000515068883 564468210 /nfs/dbraw/zinc/46/82/10/564468210.db2.gz OUSRYLLIBWBEQE-KRWDZBQOSA-N 1 2 387.281 2.932 20 30 GFEDLO N#Cc1cc(C[NH+]2CCOCC2)cn(Cc2c(Cl)cccc2Cl)c1=O ZINC000570371799 564502429 /nfs/dbraw/zinc/50/24/29/564502429.db2.gz UWBLBLNSELEFTO-UHFFFAOYSA-N 1 2 378.259 2.907 20 30 GFEDLO CCN(CC)c1ncc(C[NH+]2CCN(c3snc(C)c3C#N)CC2)s1 ZINC000518267110 564549785 /nfs/dbraw/zinc/54/97/85/564549785.db2.gz GOFAOOIKAHJJPR-UHFFFAOYSA-N 1 2 376.555 2.948 20 30 GFEDLO CC1CC(C#N)(C(=O)Nc2cc(N3CCOCC3)c(Br)c[nH+]2)C1 ZINC000572244049 564586810 /nfs/dbraw/zinc/58/68/10/564586810.db2.gz XYYZQSZKLQZVCR-UHFFFAOYSA-N 1 2 379.258 2.559 20 30 GFEDLO C=CC[NH+]1CCC(NC(=O)NCc2nc3cccc(Br)c3[nH]2)CC1 ZINC000458335253 564698900 /nfs/dbraw/zinc/69/89/00/564698900.db2.gz NNZYKTAVDWTCTR-UHFFFAOYSA-N 1 2 392.301 2.775 20 30 GFEDLO C=CCC[C@@H](CO)NC(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000458643902 564709868 /nfs/dbraw/zinc/70/98/68/564709868.db2.gz CSXGTEKXOXFJDP-HNNXBMFYSA-N 1 2 395.301 2.574 20 30 GFEDLO COCC[N@H+](CC(=O)NC1(C#N)CCC1)Cc1ccc(Br)s1 ZINC000576301132 564711723 /nfs/dbraw/zinc/71/17/23/564711723.db2.gz HNIULNDRNCDOFT-UHFFFAOYSA-N 1 2 386.315 2.521 20 30 GFEDLO COCC[N@@H+](CC(=O)NC1(C#N)CCC1)Cc1ccc(Br)s1 ZINC000576301132 564711727 /nfs/dbraw/zinc/71/17/27/564711727.db2.gz HNIULNDRNCDOFT-UHFFFAOYSA-N 1 2 386.315 2.521 20 30 GFEDLO C[N@H+](CC(=O)NC1(C#N)CCC1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000527377876 564741808 /nfs/dbraw/zinc/74/18/08/564741808.db2.gz XLDPJMPXJTZGIB-CQSZACIVSA-N 1 2 378.270 2.767 20 30 GFEDLO C[N@@H+](CC(=O)NC1(C#N)CCC1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000527377876 564741813 /nfs/dbraw/zinc/74/18/13/564741813.db2.gz XLDPJMPXJTZGIB-CQSZACIVSA-N 1 2 378.270 2.767 20 30 GFEDLO N#Cc1ccc(Br)c(C[NH+]2CCN(c3cccc(C#N)n3)CC2)c1 ZINC000492844538 564804563 /nfs/dbraw/zinc/80/45/63/564804563.db2.gz DQEFADPQRYXZBA-UHFFFAOYSA-N 1 2 382.265 2.910 20 30 GFEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)nc1 ZINC000582086194 564830553 /nfs/dbraw/zinc/83/05/53/564830553.db2.gz MNZGFPDLSFXHSI-MRXNPFEDSA-N 1 2 375.881 2.870 20 30 GFEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)nc1 ZINC000582086194 564830556 /nfs/dbraw/zinc/83/05/56/564830556.db2.gz MNZGFPDLSFXHSI-MRXNPFEDSA-N 1 2 375.881 2.870 20 30 GFEDLO C[C@H]1C[C@@H](NS(=O)(=O)c2ccc(C#N)c(Br)c2)c2[nH+]ccn21 ZINC000582946146 564869279 /nfs/dbraw/zinc/86/92/79/564869279.db2.gz UBFDIHJGPNZXEM-TVQRCGJNSA-N 1 2 381.255 2.502 20 30 GFEDLO N#CC[C@@]1(O)CC[N@H+](Cc2cc(Cl)ccc2I)C1 ZINC000593036288 565308506 /nfs/dbraw/zinc/30/85/06/565308506.db2.gz XLSGZEKMLUKMCG-CYBMUJFWSA-N 1 2 376.625 2.795 20 30 GFEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2cc(Cl)ccc2I)C1 ZINC000593036288 565308512 /nfs/dbraw/zinc/30/85/12/565308512.db2.gz XLSGZEKMLUKMCG-CYBMUJFWSA-N 1 2 376.625 2.795 20 30 GFEDLO N#CCSCC(=O)N(CCn1cc[nH+]c1)Cc1ccccc1Br ZINC000619871822 565360647 /nfs/dbraw/zinc/36/06/47/565360647.db2.gz LZNFSDDQEVYWGZ-UHFFFAOYSA-N 1 2 393.310 2.931 20 30 GFEDLO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1CC[NH+](C2CCC2)CC1 ZINC000594755833 565415328 /nfs/dbraw/zinc/41/53/28/565415328.db2.gz VPFAIPFNMHIUNM-UHFFFAOYSA-N 1 2 375.519 2.940 20 30 GFEDLO Cc1cc(Br)cn2cc(CNC(=O)N3CC[C@](C)(C#N)C3)[nH+]c12 ZINC000596565324 565527430 /nfs/dbraw/zinc/52/74/30/565527430.db2.gz FWCIMNQMCBXNNO-MRXNPFEDSA-N 1 2 376.258 2.850 20 30 GFEDLO Cn1nccc1[C@H]1c2[nH]c[nH+]c2CCN1Cc1ccc(Br)cc1C#N ZINC000599445719 565679207 /nfs/dbraw/zinc/67/92/07/565679207.db2.gz OWJMUGJEZOSFIO-SFHVURJKSA-N 1 2 397.280 2.925 20 30 GFEDLO N#Cc1ccc(Br)c(Cn2cc(C[NH+]3CCSCC3)nn2)c1 ZINC000603241403 565891591 /nfs/dbraw/zinc/89/15/91/565891591.db2.gz LVWMWRQYXIJSQH-UHFFFAOYSA-N 1 2 378.299 2.509 20 30 GFEDLO CC(N=Nc1cc(-c2nn[nH]n2)cc(Cl)n1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000823953519 608537946 /nfs/dbraw/zinc/53/79/46/608537946.db2.gz DUBAQARIXBLAEL-UHFFFAOYSA-N 1 2 379.815 2.937 20 30 GFEDLO C#CCOCCC(=O)N(CCn1cc[nH+]c1)Cc1ccccc1Br ZINC000820043724 660279324 /nfs/dbraw/zinc/27/93/24/660279324.db2.gz YZFBJBAKODYRPW-UHFFFAOYSA-N 1 2 390.281 2.714 20 30 GFEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2ccc(Br)cc2O)n1 ZINC000825726597 660439673 /nfs/dbraw/zinc/43/96/73/660439673.db2.gz SXCXYKSFINZILY-UHFFFAOYSA-N 1 2 378.270 2.633 20 30 GFEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2ccc(Br)cc2O)n1 ZINC000825726597 660439674 /nfs/dbraw/zinc/43/96/74/660439674.db2.gz SXCXYKSFINZILY-UHFFFAOYSA-N 1 2 378.270 2.633 20 30 GFEDLO C[N@H+](CC(=O)Nc1sccc1C#N)[C@H](CO)c1cccc(Br)c1 ZINC000125795108 654802393 /nfs/dbraw/zinc/80/23/93/654802393.db2.gz JTQRLIDQUPDORH-CQSZACIVSA-N 1 2 394.294 2.986 20 30 GFEDLO C[N@@H+](CC(=O)Nc1sccc1C#N)[C@H](CO)c1cccc(Br)c1 ZINC000125795108 654802396 /nfs/dbraw/zinc/80/23/96/654802396.db2.gz JTQRLIDQUPDORH-CQSZACIVSA-N 1 2 394.294 2.986 20 30 GFEDLO N#Cc1c(Cl)nsc1NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000267537504 654933821 /nfs/dbraw/zinc/93/38/21/654933821.db2.gz ODVMIPAIQURVSA-UHFFFAOYSA-N 1 2 378.885 2.991 20 30 GFEDLO CC1(C#N)CC[NH+](CC(=O)Nc2cccc(I)c2)CC1 ZINC000272611972 655117324 /nfs/dbraw/zinc/11/73/24/655117324.db2.gz SKXLDMRLGIUOJM-UHFFFAOYSA-N 1 2 383.233 2.855 20 30 GFEDLO Cc1cc(Br)cn2cc(CCNC(=O)N3CCC(C#N)CC3)[nH+]c12 ZINC000273288763 655138070 /nfs/dbraw/zinc/13/80/70/655138070.db2.gz MINHPJXHULUSFJ-UHFFFAOYSA-N 1 2 390.285 2.893 20 30 GFEDLO C=C(Br)CNC(=O)N(Cc1ccccc1)[C@H](C)C[NH+]1CCOCC1 ZINC000170834681 655146435 /nfs/dbraw/zinc/14/64/35/655146435.db2.gz QNMOLZLUGOZVOQ-MRXNPFEDSA-N 1 2 396.329 2.828 20 30 GFEDLO CN(C)S(=O)(=O)c1ccc(CO[NH+]=C(N)Cc2ccccc2Cl)cc1 ZINC000120225653 655331744 /nfs/dbraw/zinc/33/17/44/655331744.db2.gz WRHAQTZYRRJNJS-UHFFFAOYSA-N 1 2 381.885 2.622 20 30 GFEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(Sc2nncn2C)c(Cl)c1 ZINC000732066186 655591482 /nfs/dbraw/zinc/59/14/82/655591482.db2.gz KCRLTFWEEKIKPZ-AWEZNQCLSA-N 1 2 375.885 2.656 20 30 GFEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(Sc2nncn2C)c(Cl)c1 ZINC000732066186 655591484 /nfs/dbraw/zinc/59/14/84/655591484.db2.gz KCRLTFWEEKIKPZ-AWEZNQCLSA-N 1 2 375.885 2.656 20 30 GFEDLO C[N@@H+]1CCCC(N=Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)CC1 ZINC000758118152 655923244 /nfs/dbraw/zinc/92/32/44/655923244.db2.gz PJANWQUHUZEZSH-UHFFFAOYSA-N 1 2 379.511 2.828 20 30 GFEDLO C[N@H+]1CCCC(N=Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)CC1 ZINC000758118152 655923246 /nfs/dbraw/zinc/92/32/46/655923246.db2.gz PJANWQUHUZEZSH-UHFFFAOYSA-N 1 2 379.511 2.828 20 30 GFEDLO C#CCO[C@H](C)C(=O)N(CCCn1cc[nH+]c1)c1ccc(Br)cn1 ZINC000841349386 661254105 /nfs/dbraw/zinc/25/41/05/661254105.db2.gz YNNCNVAEEVJFHT-CQSZACIVSA-N 1 2 391.269 2.502 20 30 GFEDLO C#CCNC(=O)CC[N@@H+](CC(=O)OCC)[C@@H](C)c1cccc(Br)c1 ZINC000815076849 660109962 /nfs/dbraw/zinc/10/99/62/660109962.db2.gz YYGHARIRCDBRJA-AWEZNQCLSA-N 1 2 395.297 2.515 20 30 GFEDLO C#CCNC(=O)CC[N@H+](CC(=O)OCC)[C@@H](C)c1cccc(Br)c1 ZINC000815076849 660109964 /nfs/dbraw/zinc/10/99/64/660109964.db2.gz YYGHARIRCDBRJA-AWEZNQCLSA-N 1 2 395.297 2.515 20 30 GFEDLO O=S(=O)(NN=C1CCC[N@@H+]2CCCC[C@H]12)c1ccc(Br)cc1 ZINC000848398869 661645789 /nfs/dbraw/zinc/64/57/89/661645789.db2.gz GGSQPXIWJJSCLV-OAHLLOKOSA-N 1 2 386.315 2.732 20 30 GFEDLO O=S(=O)(NN=C1CCC[N@H+]2CCCC[C@H]12)c1ccc(Br)cc1 ZINC000848398869 661645792 /nfs/dbraw/zinc/64/57/92/661645792.db2.gz GGSQPXIWJJSCLV-OAHLLOKOSA-N 1 2 386.315 2.732 20 30 GFEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@H]1c1ccc(Br)cc1C ZINC000884439997 663070781 /nfs/dbraw/zinc/07/07/81/663070781.db2.gz VXXPURJQOAYHAU-HOTGVXAUSA-N 1 2 395.297 2.868 20 30 GFEDLO C=CCC1(O)CC[NH+](CN2C(=O)N[C@@](C)(c3ccc(Cl)s3)C2=O)CC1 ZINC000884479048 663071322 /nfs/dbraw/zinc/07/13/22/663071322.db2.gz ULWUIEVNXFNKGW-INIZCTEOSA-N 1 2 383.901 2.529 20 30 GFEDLO N#Cc1cc(S(=O)(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)ccc1Br ZINC000907040347 663995899 /nfs/dbraw/zinc/99/58/99/663995899.db2.gz ZJZHSQMFEIGVAI-NSHDSACASA-N 1 2 395.282 2.612 20 30 GFEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H](Cc3nccs3)C2)c1 ZINC000932200403 664813138 /nfs/dbraw/zinc/81/31/38/664813138.db2.gz PZBYHXNTMULKNW-INIZCTEOSA-N 1 2 375.519 2.743 20 30 GFEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCC[C@@H](Cc3nccs3)C2)c1 ZINC000932200403 664813140 /nfs/dbraw/zinc/81/31/40/664813140.db2.gz PZBYHXNTMULKNW-INIZCTEOSA-N 1 2 375.519 2.743 20 30 GFEDLO C=CCNC(=O)[C@H](C)[NH2+][C@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000151106567 551407625 /nfs/dbraw/zinc/40/76/25/551407625.db2.gz XCVANXOTLLJFQW-WDEREUQCSA-N 1 2 379.258 2.840 20 30 GFEDLO N#Cc1c(Cl)cccc1S(=O)(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000156335927 551520367 /nfs/dbraw/zinc/52/03/67/551520367.db2.gz JRFISTNMHWDVTD-UHFFFAOYSA-N 1 2 376.869 2.685 20 30 GFEDLO C[N@H+](CCOc1ccccc1C#N)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000157642309 551540332 /nfs/dbraw/zinc/54/03/32/551540332.db2.gz YFXSGKCJBSWNFG-QGZVFWFLSA-N 1 2 388.265 2.858 20 30 GFEDLO C[N@@H+](CCOc1ccccc1C#N)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000157642309 551540333 /nfs/dbraw/zinc/54/03/33/551540333.db2.gz YFXSGKCJBSWNFG-QGZVFWFLSA-N 1 2 388.265 2.858 20 30 GFEDLO C[C@@H](C(=O)N(CCC#N)CC[NH+]1CCOCC1)c1ccc(Br)cc1 ZINC000160083086 551575350 /nfs/dbraw/zinc/57/53/50/551575350.db2.gz SDRRFRKTCALUKJ-OAHLLOKOSA-N 1 2 394.313 2.627 20 30 GFEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)c(Cl)c1 ZINC000183353723 552306651 /nfs/dbraw/zinc/30/66/51/552306651.db2.gz ILPOZGCGVLLSNK-UHFFFAOYSA-N 1 2 375.881 2.718 20 30 GFEDLO CCN(CC)c1ccc(CNS(=O)(=O)c2ccc(C#N)cc2Cl)c[nH+]1 ZINC000183503903 552311232 /nfs/dbraw/zinc/31/12/32/552311232.db2.gz CBPSDCMZGDWJNJ-UHFFFAOYSA-N 1 2 378.885 2.931 20 30 GFEDLO C=CCNC(=O)C[N@H+]1CCC[C@H]1c1nc(-c2ccccc2Br)no1 ZINC000190795425 552508829 /nfs/dbraw/zinc/50/88/29/552508829.db2.gz ZNDOTFFMNFFLSC-AWEZNQCLSA-N 1 2 391.269 2.938 20 30 GFEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H]1c1nc(-c2ccccc2Br)no1 ZINC000190795425 552508831 /nfs/dbraw/zinc/50/88/31/552508831.db2.gz ZNDOTFFMNFFLSC-AWEZNQCLSA-N 1 2 391.269 2.938 20 30 GFEDLO Cc1cc(NC[C@H](CO)Cc2cc(Br)ccc2F)c(C#N)c[nH+]1 ZINC000425266129 563415843 /nfs/dbraw/zinc/41/58/43/563415843.db2.gz GXZREAAKJDSDQM-GFCCVEGCSA-N 1 2 378.245 2.848 20 30 GFEDLO C[C@H](CNC(=O)Cc1cn2cc(Cl)cc(Cl)c2n1)[NH+]1CCN(C)CC1 ZINC000329479242 563481500 /nfs/dbraw/zinc/48/15/00/563481500.db2.gz QJHPKTMMYHLUGB-GFCCVEGCSA-N 1 2 384.311 2.776 20 30 GFEDLO O=C(N[C@H]1CCN(c2ccc(Br)cc2)C1)N1CCn2cc[nH+]c2C1 ZINC000329853050 563490230 /nfs/dbraw/zinc/49/02/30/563490230.db2.gz RVNJJFQTYIYFRQ-AWEZNQCLSA-N 1 2 390.285 2.654 20 30 GFEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCC[C@](O)(C(F)(F)F)C1 ZINC000330809559 563522446 /nfs/dbraw/zinc/52/24/46/563522446.db2.gz KCRHGLZSPLMYKS-ZUZCIYMTSA-N 1 2 375.778 2.928 20 30 GFEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCC[C@](O)(C(F)(F)F)C1 ZINC000330809559 563522447 /nfs/dbraw/zinc/52/24/47/563522447.db2.gz KCRHGLZSPLMYKS-ZUZCIYMTSA-N 1 2 375.778 2.928 20 30 GFEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000437628716 563697436 /nfs/dbraw/zinc/69/74/36/563697436.db2.gz JPXQMMOVLWOZOF-BLLLJJGKSA-N 1 2 393.285 2.877 20 30 GFEDLO N#Cc1ccc(N2CC[NH+](Cc3cn4ccc(Br)cc4n3)CC2)nc1 ZINC000290386198 563707703 /nfs/dbraw/zinc/70/77/03/563707703.db2.gz JAGJRNUNOMBFBT-UHFFFAOYSA-N 1 2 397.280 2.686 20 30 GFEDLO COc1ccc(Nc2nnc(SC[C@@H](O)C[N@H+](C)CCC#N)s2)cc1 ZINC000414102213 563719776 /nfs/dbraw/zinc/71/97/76/563719776.db2.gz VKEMTGQBIZJQPX-ZDUSSCGKSA-N 1 2 379.511 2.589 20 30 GFEDLO COc1ccc(Nc2nnc(SC[C@@H](O)C[N@@H+](C)CCC#N)s2)cc1 ZINC000414102213 563719779 /nfs/dbraw/zinc/71/97/79/563719779.db2.gz VKEMTGQBIZJQPX-ZDUSSCGKSA-N 1 2 379.511 2.589 20 30 GFEDLO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCC[C@@H]1C(=O)Nc1nccs1 ZINC000363410477 563722331 /nfs/dbraw/zinc/72/23/31/563722331.db2.gz FWBIEJFRYJLNOY-GFCCVEGCSA-N 1 2 375.479 2.508 20 30 GFEDLO N#Cc1ccsc1NC(=O)CC[N@H+]1CCC[C@@H]1C(=O)Nc1nccs1 ZINC000363410477 563722333 /nfs/dbraw/zinc/72/23/33/563722333.db2.gz FWBIEJFRYJLNOY-GFCCVEGCSA-N 1 2 375.479 2.508 20 30 GFEDLO CCN(CCC#N)C(=O)C[N@H+](C)[C@H]1CCOc2ccc(Br)cc21 ZINC000445896792 563855777 /nfs/dbraw/zinc/85/57/77/563855777.db2.gz KJWWIGYHIPXCHK-HNNXBMFYSA-N 1 2 380.286 2.967 20 30 GFEDLO CCN(CCC#N)C(=O)C[N@@H+](C)[C@H]1CCOc2ccc(Br)cc21 ZINC000445896792 563855778 /nfs/dbraw/zinc/85/57/78/563855778.db2.gz KJWWIGYHIPXCHK-HNNXBMFYSA-N 1 2 380.286 2.967 20 30 GFEDLO N#Cc1c(Br)cccc1OCC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000449820185 564203975 /nfs/dbraw/zinc/20/39/75/564203975.db2.gz LKFMVWDIJDZHOH-UHFFFAOYSA-N 1 2 389.253 2.829 20 30 GFEDLO Cc1nn(C)c(N2CC[NH+](Cc3ccc(C#N)cc3Br)CC2)c1C#N ZINC000472175800 564214910 /nfs/dbraw/zinc/21/49/10/564214910.db2.gz SKBUXAJHVKFQAC-UHFFFAOYSA-N 1 2 399.296 2.557 20 30 GFEDLO N#Cc1cc(Br)cnc1N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000450498107 564235742 /nfs/dbraw/zinc/23/57/42/564235742.db2.gz HKIVELYVNTXLQP-MSOLQXFVSA-N 1 2 399.292 2.805 20 30 GFEDLO N#Cc1cc(Br)cnc1N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000450498107 564235745 /nfs/dbraw/zinc/23/57/45/564235745.db2.gz HKIVELYVNTXLQP-MSOLQXFVSA-N 1 2 399.292 2.805 20 30 GFEDLO CC[C@H]1C[N@H+](CC)CCN1S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000451938408 564370167 /nfs/dbraw/zinc/37/01/67/564370167.db2.gz XJFSGMFCSDXRPE-ZDUSSCGKSA-N 1 2 375.416 2.682 20 30 GFEDLO CC[C@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000451938408 564370171 /nfs/dbraw/zinc/37/01/71/564370171.db2.gz XJFSGMFCSDXRPE-ZDUSSCGKSA-N 1 2 375.416 2.682 20 30 GFEDLO CCn1cc[nH+]c1[C@H](C)NS(=O)(=O)c1cccc(Br)c1C#N ZINC000451937179 564370385 /nfs/dbraw/zinc/37/03/85/564370385.db2.gz ZBMHHMLFFRGBTN-JTQLQIEISA-N 1 2 383.271 2.577 20 30 GFEDLO C[C@H]1C[C@H](NC(=O)COc2cccc(Br)c2C#N)c2[nH+]ccn21 ZINC000519748568 564589493 /nfs/dbraw/zinc/58/94/93/564589493.db2.gz KLXLELPSOBUBOA-GWCFXTLKSA-N 1 2 375.226 2.718 20 30 GFEDLO CC(C)(CC#N)CNC(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000459605847 564752377 /nfs/dbraw/zinc/75/23/77/564752377.db2.gz AXWMUCHWIFXFJE-UHFFFAOYSA-N 1 2 396.289 2.742 20 30 GFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCCCOc1ccc(Br)cc1 ZINC000582731305 564859916 /nfs/dbraw/zinc/85/99/16/564859916.db2.gz ZQWWSNGPRQXRAK-KRWDZBQOSA-N 1 2 382.302 2.958 20 30 GFEDLO Cn1cc[nH+]c1[C@@H](NS(=O)(=O)c1ccc(C#N)o1)c1ccc(Cl)cc1 ZINC000557790651 564876838 /nfs/dbraw/zinc/87/68/38/564876838.db2.gz LWCJFKWUHNOYJD-HNNXBMFYSA-N 1 2 376.825 2.606 20 30 GFEDLO CC#CCCNC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000502108421 564992436 /nfs/dbraw/zinc/99/24/36/564992436.db2.gz GOHCNUQMMZJDKD-UHFFFAOYSA-N 1 2 379.258 2.864 20 30 GFEDLO CC[N@H+](CC(=O)N(CCC#N)CCC#N)Cc1ccccc1Br ZINC000561810900 565010429 /nfs/dbraw/zinc/01/04/29/565010429.db2.gz MYNOJIUIJSRONW-UHFFFAOYSA-N 1 2 377.286 2.927 20 30 GFEDLO CC[N@@H+](CC(=O)N(CCC#N)CCC#N)Cc1ccccc1Br ZINC000561810900 565010430 /nfs/dbraw/zinc/01/04/30/565010430.db2.gz MYNOJIUIJSRONW-UHFFFAOYSA-N 1 2 377.286 2.927 20 30 GFEDLO N#Cc1ccc(-c2ccc(S(=O)(=O)CC[N@H+]3CCC[C@H](O)C3)cc2)s1 ZINC000592987761 565305198 /nfs/dbraw/zinc/30/51/98/565305198.db2.gz BCRMCSRTWYRAIR-HNNXBMFYSA-N 1 2 376.503 2.517 20 30 GFEDLO N#Cc1ccc(-c2ccc(S(=O)(=O)CC[N@@H+]3CCC[C@H](O)C3)cc2)s1 ZINC000592987761 565305205 /nfs/dbraw/zinc/30/52/05/565305205.db2.gz BCRMCSRTWYRAIR-HNNXBMFYSA-N 1 2 376.503 2.517 20 30 GFEDLO CCc1ccc(C[NH+]2CCN(S(=O)(=O)c3ccsc3C#N)CC2)s1 ZINC000593549018 565340703 /nfs/dbraw/zinc/34/07/03/565340703.db2.gz QHMHBKCXJKWNGB-UHFFFAOYSA-N 1 2 381.548 2.750 20 30 GFEDLO N#Cc1ccc(S(=O)(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)s1 ZINC000619547189 565348598 /nfs/dbraw/zinc/34/85/98/565348598.db2.gz LYGHRESOFYWBFH-UHFFFAOYSA-N 1 2 376.507 2.874 20 30 GFEDLO N#Cc1ccc(Cl)c(S(=O)(=O)NC[C@H]2CC[N@@H+]2Cc2ccccc2)c1 ZINC000595393186 565472301 /nfs/dbraw/zinc/47/23/01/565472301.db2.gz OOEAUEJTKOPJBM-MRXNPFEDSA-N 1 2 375.881 2.764 20 30 GFEDLO N#Cc1ccc(Cl)c(S(=O)(=O)NC[C@H]2CC[N@H+]2Cc2ccccc2)c1 ZINC000595393186 565472308 /nfs/dbraw/zinc/47/23/08/565472308.db2.gz OOEAUEJTKOPJBM-MRXNPFEDSA-N 1 2 375.881 2.764 20 30 GFEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@H]1c1ccc(Br)cc1OC ZINC000599572840 565689404 /nfs/dbraw/zinc/68/94/04/565689404.db2.gz HHIRFGWAQSQSIJ-AWEZNQCLSA-N 1 2 396.285 2.606 20 30 GFEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H]1c1ccc(Br)cc1OC ZINC000599572840 565689409 /nfs/dbraw/zinc/68/94/09/565689409.db2.gz HHIRFGWAQSQSIJ-AWEZNQCLSA-N 1 2 396.285 2.606 20 30 GFEDLO Cc1nccnc1C[NH+]1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000602802135 565868933 /nfs/dbraw/zinc/86/89/33/565868933.db2.gz XHLVFYSPBWJRNW-SFHVURJKSA-N 1 2 386.297 2.930 20 30 GFEDLO COC1CC[NH+](Cc2cn(Cc3ccc(Br)cc3C#N)nn2)CC1 ZINC000603240630 565891143 /nfs/dbraw/zinc/89/11/43/565891143.db2.gz ASGBCFNIINLPAX-UHFFFAOYSA-N 1 2 390.285 2.571 20 30 GFEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1c(F)c(F)c(Br)c(F)c1F ZINC000819760780 660268865 /nfs/dbraw/zinc/26/88/65/660268865.db2.gz SCNHLHDDDCXYBS-VIFPVBQESA-N 1 2 393.178 2.719 20 30 GFEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1c(F)c(F)c(Br)c(F)c1F ZINC000819760780 660268867 /nfs/dbraw/zinc/26/88/67/660268867.db2.gz SCNHLHDDDCXYBS-VIFPVBQESA-N 1 2 393.178 2.719 20 30 GFEDLO C=CCS(=O)(=O)CC[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000272833519 655122917 /nfs/dbraw/zinc/12/29/17/655122917.db2.gz LKTJABNHAVPNFR-UHFFFAOYSA-N 1 2 384.299 2.530 20 30 GFEDLO NC(=[NH+]OCC(=O)NCc1ccc(F)cc1)c1ccc(Br)cc1 ZINC000782948549 657195908 /nfs/dbraw/zinc/19/59/08/657195908.db2.gz KWEIBIWEYDYJTD-UHFFFAOYSA-N 1 2 380.217 2.542 20 30 GFEDLO C#CCC[NH+]1CCN(C(=O)c2cc(Cl)c(Br)cc2OC)CC1 ZINC000843781193 661392366 /nfs/dbraw/zinc/39/23/66/661392366.db2.gz RCVAWSHUUHQMAU-UHFFFAOYSA-N 1 2 385.689 2.892 20 30 GFEDLO C=C(C)C[C@H](CO)NC(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000883611881 663057915 /nfs/dbraw/zinc/05/79/15/663057915.db2.gz MFJHEDDLVMREMG-OAHLLOKOSA-N 1 2 395.301 2.574 20 30 GFEDLO C#C[C@@H](NC(=O)/C=C(/C)C[NH+]1CCOCC1)c1ccc(Br)cc1 ZINC000908518316 664111602 /nfs/dbraw/zinc/11/16/02/664111602.db2.gz ZJDHSSYYYQXGDO-BHEFUSTPSA-N 1 2 377.282 2.518 20 30 GFEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C(C)(C)C1 ZINC000940899508 665008289 /nfs/dbraw/zinc/00/82/89/665008289.db2.gz PLAKOFNSKGKSEG-TWHJKIGZSA-N 1 2 383.330 2.535 20 30 GFEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C(C)(C)C1 ZINC000940899508 665008293 /nfs/dbraw/zinc/00/82/93/665008293.db2.gz PLAKOFNSKGKSEG-TWHJKIGZSA-N 1 2 383.330 2.535 20 30 GFEDLO N#Cc1cc(S(=O)(=O)NC2CCN(c3cccc[nH+]3)CC2)ccc1Cl ZINC000056060139 551176302 /nfs/dbraw/zinc/17/63/02/551176302.db2.gz TUOTXEDTGUKDQJ-UHFFFAOYSA-N 1 2 376.869 2.554 20 30 GFEDLO C=CCC[C@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000121002039 551224721 /nfs/dbraw/zinc/22/47/21/551224721.db2.gz URKHCNZLWIQMBU-ZDUSSCGKSA-N 1 2 393.336 2.627 20 30 GFEDLO Cc1cc(C[NH+]2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c(C)s1 ZINC000194366979 553018802 /nfs/dbraw/zinc/01/88/02/553018802.db2.gz KVJINDVNUWYNHJ-UHFFFAOYSA-N 1 2 375.519 2.743 20 30 GFEDLO N#Cc1ccc(S(=O)(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1Br ZINC000278839243 563272848 /nfs/dbraw/zinc/27/28/48/563272848.db2.gz PLYSIDMPPFBAOG-UHFFFAOYSA-N 1 2 395.282 2.612 20 30 GFEDLO COc1ccc(C[C@H](CO)CNc2cc(C)[nH+]cc2C#N)cc1Br ZINC000425257484 563415421 /nfs/dbraw/zinc/41/54/21/563415421.db2.gz CRLXWBLIGIGEKH-AWEZNQCLSA-N 1 2 390.281 2.718 20 30 GFEDLO Cc1ccc(S(=O)(=O)NCC[N@@H+](C)CC#Cc2ccc(Cl)cc2)cc1 ZINC000426475673 563452005 /nfs/dbraw/zinc/45/20/05/563452005.db2.gz YYSUKXQIICOZOO-UHFFFAOYSA-N 1 2 376.909 2.910 20 30 GFEDLO Cc1ccc(S(=O)(=O)NCC[N@H+](C)CC#Cc2ccc(Cl)cc2)cc1 ZINC000426475673 563452008 /nfs/dbraw/zinc/45/20/08/563452008.db2.gz YYSUKXQIICOZOO-UHFFFAOYSA-N 1 2 376.909 2.910 20 30 GFEDLO C[C@H]([NH2+][C@H]1CCC[C@H]1C#N)C(=O)Nc1cccc(I)c1 ZINC000331324890 563546054 /nfs/dbraw/zinc/54/60/54/563546054.db2.gz FZPZUEBXVXKYHE-MJVIPROJSA-N 1 2 383.233 2.900 20 30 GFEDLO Cc1cc(I)ccc1NC(=O)C[NH2+][C@H]1CCC[C@H]1C#N ZINC000331355842 563547119 /nfs/dbraw/zinc/54/71/19/563547119.db2.gz RDPXEBWOZRNIFG-FZMZJTMJSA-N 1 2 383.233 2.820 20 30 GFEDLO C[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(C#N)o2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000331607467 563555368 /nfs/dbraw/zinc/55/53/68/563555368.db2.gz VXZDWVPXKBDVHE-GOEBONIOSA-N 1 2 383.832 2.667 20 30 GFEDLO C[N@H+]1CC[C@H](NS(=O)(=O)c2ccc(C#N)o2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000331607467 563555371 /nfs/dbraw/zinc/55/53/71/563555371.db2.gz VXZDWVPXKBDVHE-GOEBONIOSA-N 1 2 383.832 2.667 20 30 GFEDLO C[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc(C#N)o2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000331607456 563555438 /nfs/dbraw/zinc/55/54/38/563555438.db2.gz VXZDWVPXKBDVHE-GDBMZVCRSA-N 1 2 383.832 2.667 20 30 GFEDLO C[N@H+]1CC[C@@H](NS(=O)(=O)c2ccc(C#N)o2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000331607456 563555439 /nfs/dbraw/zinc/55/54/39/563555439.db2.gz VXZDWVPXKBDVHE-GDBMZVCRSA-N 1 2 383.832 2.667 20 30 GFEDLO N#Cc1c(N)n[nH]c1CCCNc1cc[nH+]c2c(Br)ccc(F)c12 ZINC000443428233 563804406 /nfs/dbraw/zinc/80/44/06/563804406.db2.gz ICAHBBJPLWYAJJ-UHFFFAOYSA-N 1 2 389.232 2.610 20 30 GFEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000444727932 563835633 /nfs/dbraw/zinc/83/56/33/563835633.db2.gz FGFDYXCSGSPOFR-NHYWBVRUSA-N 1 2 375.778 2.785 20 30 GFEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000444727932 563835636 /nfs/dbraw/zinc/83/56/36/563835636.db2.gz FGFDYXCSGSPOFR-NHYWBVRUSA-N 1 2 375.778 2.785 20 30 GFEDLO N#Cc1cc(Br)ccc1C[NH+]1CCC(N2C(=O)CCCC2=O)CC1 ZINC000367871918 563857839 /nfs/dbraw/zinc/85/78/39/563857839.db2.gz CWEVJTJRDGPOPO-UHFFFAOYSA-N 1 2 390.281 2.824 20 30 GFEDLO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH+]1CCC(C#N)CC1 ZINC000449016877 563905044 /nfs/dbraw/zinc/90/50/44/563905044.db2.gz IQMRSQXMQUXYQN-LBPRGKRZSA-N 1 2 380.286 2.698 20 30 GFEDLO N#Cc1ccc(CS(=O)(=O)N2CC[NH2+]C[C@H]2c2ccccc2Cl)cc1 ZINC000565433815 564280977 /nfs/dbraw/zinc/28/09/77/564280977.db2.gz VBLJSLBMGSRIAK-SFHVURJKSA-N 1 2 375.881 2.688 20 30 GFEDLO CC[C@@H](C)[NH+]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)CC1 ZINC000451972892 564374231 /nfs/dbraw/zinc/37/42/31/564374231.db2.gz PNGSVFUWKSOOEX-GFCCVEGCSA-N 1 2 375.416 2.682 20 30 GFEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC=C(c2cccc(Br)c2)CC1 ZINC000545170926 564411438 /nfs/dbraw/zinc/41/14/38/564411438.db2.gz BNOXIXXYKRMNOQ-UHFFFAOYSA-N 1 2 378.270 2.550 20 30 GFEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC=C(c2cccc(Br)c2)CC1 ZINC000545170926 564411440 /nfs/dbraw/zinc/41/14/40/564411440.db2.gz BNOXIXXYKRMNOQ-UHFFFAOYSA-N 1 2 378.270 2.550 20 30 GFEDLO N#Cc1cccc(NC(=O)C[N@@H+](CCO)Cc2cccc(Br)c2)c1 ZINC000488236629 564708164 /nfs/dbraw/zinc/70/81/64/564708164.db2.gz XNXZHSQOGKFJOY-UHFFFAOYSA-N 1 2 388.265 2.754 20 30 GFEDLO N#Cc1cccc(NC(=O)C[N@H+](CCO)Cc2cccc(Br)c2)c1 ZINC000488236629 564708168 /nfs/dbraw/zinc/70/81/68/564708168.db2.gz XNXZHSQOGKFJOY-UHFFFAOYSA-N 1 2 388.265 2.754 20 30 GFEDLO C[C@@H]1C[C@@H](NS(=O)(=O)c2cc(Br)cc(C#N)c2)c2[nH+]ccn21 ZINC000580993298 564782899 /nfs/dbraw/zinc/78/28/99/564782899.db2.gz JMCGQVWYYNZUSH-NOZJJQNGSA-N 1 2 381.255 2.502 20 30 GFEDLO C[NH+](C)Cc1ccc(NS(=O)(=O)c2cncc(C#N)c2)cc1Br ZINC000555140415 564784736 /nfs/dbraw/zinc/78/47/36/564784736.db2.gz ZOFDDFNBYKCSPE-UHFFFAOYSA-N 1 2 395.282 2.578 20 30 GFEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)Cc1cc(Br)ccc1Cl ZINC000494273917 564821190 /nfs/dbraw/zinc/82/11/90/564821190.db2.gz LXEUQDBYDMTBNA-JTQLQIEISA-N 1 2 388.693 2.935 20 30 GFEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)Cc1cc(Br)ccc1Cl ZINC000494273917 564821194 /nfs/dbraw/zinc/82/11/94/564821194.db2.gz LXEUQDBYDMTBNA-JTQLQIEISA-N 1 2 388.693 2.935 20 30 GFEDLO C=CCOc1c(Br)cc(C[NH2+]Cc2nc(COC)n[nH]2)cc1OC ZINC000657605310 565113092 /nfs/dbraw/zinc/11/30/92/565113092.db2.gz MZQSMEMNQRBJKL-UHFFFAOYSA-N 1 2 397.273 2.577 20 30 GFEDLO Cc1cc(Br)cn2cc(CCNC(=O)c3cc(O)cc(C#N)c3)[nH+]c12 ZINC000589203595 565154403 /nfs/dbraw/zinc/15/44/03/565154403.db2.gz MIVVZDWAXKUNMV-UHFFFAOYSA-N 1 2 399.248 2.955 20 30 GFEDLO Cc1cc(Br)cn2cc(CNC(=O)c3cc(O)cc(C#N)c3)[nH+]c12 ZINC000589206339 565156540 /nfs/dbraw/zinc/15/65/40/565156540.db2.gz XEQHRPCRORRZBY-UHFFFAOYSA-N 1 2 385.221 2.913 20 30 GFEDLO N#CCC1(CNc2nc[nH+]c(NCC3(CC#N)CC3)c2Br)CC1 ZINC000596216669 565515583 /nfs/dbraw/zinc/51/55/83/565515583.db2.gz QFGVXDCSZHPKGY-UHFFFAOYSA-N 1 2 375.274 2.873 20 30 GFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cc(-c2ccc(Br)cc2)no1 ZINC000598836187 565644876 /nfs/dbraw/zinc/64/48/76/565644876.db2.gz CCQSLTXUHHRLCR-INIZCTEOSA-N 1 2 377.242 2.678 20 30 GFEDLO N#CCCC[C@@H]([NH3+])c1nc(-c2n[nH]c(-c3cccc(Br)c3)n2)no1 ZINC000823184265 660364140 /nfs/dbraw/zinc/36/41/40/660364140.db2.gz CCKHQVPVECNBTB-LLVKDONJSA-N 1 2 388.229 2.978 20 30 GFEDLO C#CCC[NH+]1CCN(C(=O)c2c(F)c(F)c(Br)c(F)c2F)CC1 ZINC000825078380 660409748 /nfs/dbraw/zinc/40/97/48/660409748.db2.gz ZIACLFORVADATC-UHFFFAOYSA-N 1 2 393.178 2.787 20 30 GFEDLO N#Cc1ccnc(N2CC[NH+](C[C@H](O)c3ccccc3Br)CC2)c1 ZINC000269889389 655026113 /nfs/dbraw/zinc/02/61/13/655026113.db2.gz QTKPQXCVCCKGGG-KRWDZBQOSA-N 1 2 387.281 2.571 20 30 GFEDLO C=C(Br)CNC(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000175959449 655229746 /nfs/dbraw/zinc/22/97/46/655229746.db2.gz NTHYUOFJNHRBCO-UHFFFAOYSA-N 1 2 381.318 2.929 20 30 GFEDLO C[N@@H+](CC(=O)Nc1ccccc1Br)C[C@@H](O)c1ccc(C#N)cc1 ZINC000121637297 655350527 /nfs/dbraw/zinc/35/05/27/655350527.db2.gz QFCVVLVCSKKXEP-QGZVFWFLSA-N 1 2 388.265 2.925 20 30 GFEDLO C[N@H+](CC(=O)Nc1ccccc1Br)C[C@@H](O)c1ccc(C#N)cc1 ZINC000121637297 655350530 /nfs/dbraw/zinc/35/05/30/655350530.db2.gz QFCVVLVCSKKXEP-QGZVFWFLSA-N 1 2 388.265 2.925 20 30 GFEDLO C#CC[N@@H+](CCN1CCCC1=O)[C@@H]1CCOc2ccc(Br)cc21 ZINC000733195965 655609074 /nfs/dbraw/zinc/60/90/74/655609074.db2.gz YYAIQJNTWIPOIQ-MRXNPFEDSA-N 1 2 377.282 2.830 20 30 GFEDLO C#CC[N@H+](CCN1CCCC1=O)[C@@H]1CCOc2ccc(Br)cc21 ZINC000733195965 655609077 /nfs/dbraw/zinc/60/90/77/655609077.db2.gz YYAIQJNTWIPOIQ-MRXNPFEDSA-N 1 2 377.282 2.830 20 30 GFEDLO Cn1cc(-c2cc(CO[NH+]=C(N)c3ccc(Br)cc3)on2)cn1 ZINC000768930974 656260946 /nfs/dbraw/zinc/26/09/46/656260946.db2.gz ZJWZVYWJVDFAON-UHFFFAOYSA-N 1 2 376.214 2.675 20 30 GFEDLO C[C@H](OC(=O)C[N@H+](C)[C@H]1CCSC1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000772046210 656371065 /nfs/dbraw/zinc/37/10/65/656371065.db2.gz GVXIZDODIXRMNX-FZMZJTMJSA-N 1 2 381.885 2.519 20 30 GFEDLO C[C@H](OC(=O)C[N@@H+](C)[C@H]1CCSC1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000772046210 656371067 /nfs/dbraw/zinc/37/10/67/656371067.db2.gz GVXIZDODIXRMNX-FZMZJTMJSA-N 1 2 381.885 2.519 20 30 GFEDLO CN(C)C(=O)c1cccc(CO[NH+]=C(N)c2ccc(Br)cc2)c1 ZINC000782949490 657195608 /nfs/dbraw/zinc/19/56/08/657195608.db2.gz VWUUIFIALBIWAC-UHFFFAOYSA-N 1 2 376.254 2.988 20 30 GFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccccc3Br)n2CC=C)CC1 ZINC000800778561 659330045 /nfs/dbraw/zinc/33/00/45/659330045.db2.gz KXHCBFPVTMIDDF-UHFFFAOYSA-N 1 2 386.297 2.649 20 30 GFEDLO C#CCNC(=O)CC[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000815068654 660109053 /nfs/dbraw/zinc/10/90/53/660109053.db2.gz XSKRDABKTKNHMB-MRXNPFEDSA-N 1 2 382.291 2.926 20 30 GFEDLO C#CCNC(=O)CC[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000815068654 660109055 /nfs/dbraw/zinc/10/90/55/660109055.db2.gz XSKRDABKTKNHMB-MRXNPFEDSA-N 1 2 382.291 2.926 20 30 GFEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(Br)Br)C1=O ZINC000852337635 661861658 /nfs/dbraw/zinc/86/16/58/661861658.db2.gz WYHOBXCNTXZGIR-WZRBSPASSA-N 1 2 392.135 2.601 20 30 GFEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@@]3(C)[C@@H](C2)C3(Br)Br)C1=O ZINC000852337635 661861659 /nfs/dbraw/zinc/86/16/59/661861659.db2.gz WYHOBXCNTXZGIR-WZRBSPASSA-N 1 2 392.135 2.601 20 30 GFEDLO C=CCCn1cc(C[NH2+][C@@]2(c3ccc(Br)cc3)C[C@@H](O)C2)nn1 ZINC000880222357 662955522 /nfs/dbraw/zinc/95/55/22/662955522.db2.gz NZAVOJWRWSQUCT-CALCHBBNSA-N 1 2 377.286 2.757 20 30 GFEDLO O=C(Cn1cc[nH+]c1)N1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000885287412 663088668 /nfs/dbraw/zinc/08/86/68/663088668.db2.gz REDVEBRNCDYZOJ-OCAPTIKFSA-N 1 2 377.235 2.513 20 30 GFEDLO C=CCOC(=O)[C@@H]([NH3+])Cc1nc([C@H](CC)c2ccc(Br)cc2)no1 ZINC000904105399 663824748 /nfs/dbraw/zinc/82/47/48/663824748.db2.gz GKVGHLULZLABHX-KGLIPLIRSA-N 1 2 394.269 2.973 20 30 GFEDLO N#Cc1cc(Br)ccc1NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000121887032 551244924 /nfs/dbraw/zinc/24/49/24/551244924.db2.gz LXEUSRPEJFREQX-INIZCTEOSA-N 1 2 382.327 2.941 20 30 GFEDLO C[C@H](C(=O)N(CCC#N)CC[NH+]1CCOCC1)c1ccc(Br)cc1 ZINC000160082948 551575410 /nfs/dbraw/zinc/57/54/10/551575410.db2.gz SDRRFRKTCALUKJ-HNNXBMFYSA-N 1 2 394.313 2.627 20 30 GFEDLO Cn1cc[nH+]c1C[C@H]1CCCN(S(=O)(=O)c2ccc(C#N)cc2Cl)C1 ZINC000180159883 552215359 /nfs/dbraw/zinc/21/53/59/552215359.db2.gz KYKAHXCJGBIMFY-CQSZACIVSA-N 1 2 378.885 2.589 20 30 GFEDLO C=CCNC(=O)C[NH2+][C@H](C)c1cc(Br)cc(Br)c1O ZINC000186377660 552386616 /nfs/dbraw/zinc/38/66/16/552386616.db2.gz KQNWUJIPSMSLHP-MRVPVSSYSA-N 1 2 392.091 2.870 20 30 GFEDLO C[C@H]([NH2+]Cc1nn(C)cc1I)c1ccc(C#N)c(F)c1 ZINC000453385004 564455876 /nfs/dbraw/zinc/45/58/76/564455876.db2.gz UQDZMQLCCBRNHK-VIFPVBQESA-N 1 2 384.196 2.886 20 30 GFEDLO C#CCNC(=O)[C@H](C)[NH2+][C@H](CC)c1noc(-c2cccc(Br)c2)n1 ZINC000371790528 563287367 /nfs/dbraw/zinc/28/73/67/563287367.db2.gz XVYAKFYHEYZDHF-SMDDNHRTSA-N 1 2 391.269 2.678 20 30 GFEDLO Cc1cc(Br)cn2cc(CCNC(=O)N[C@@H]3CC[C@H](C#N)C3)[nH+]c12 ZINC000425503581 563425797 /nfs/dbraw/zinc/42/57/97/563425797.db2.gz JHLPQVKSKFXBBX-GXTWGEPZSA-N 1 2 390.285 2.939 20 30 GFEDLO CCC(=O)N1CSC[C@@H]1C(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000329994765 563492830 /nfs/dbraw/zinc/49/28/30/563492830.db2.gz ZOQZCXXWEFZGFT-KCQAQPDRSA-N 1 2 385.530 2.929 20 30 GFEDLO CCC(=O)N1CSC[C@@H]1C(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000329994765 563492834 /nfs/dbraw/zinc/49/28/34/563492834.db2.gz ZOQZCXXWEFZGFT-KCQAQPDRSA-N 1 2 385.530 2.929 20 30 GFEDLO CC[C@@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C[C@@H](C)[S@]1=O ZINC000285864158 563540647 /nfs/dbraw/zinc/54/06/47/563540647.db2.gz IQQRWXCMWQXIQK-FUIYZNBFSA-N 1 2 379.551 2.668 20 30 GFEDLO CC[C@@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C[C@@H](C)[S@]1=O ZINC000285864158 563540649 /nfs/dbraw/zinc/54/06/49/563540649.db2.gz IQQRWXCMWQXIQK-FUIYZNBFSA-N 1 2 379.551 2.668 20 30 GFEDLO O=C(NC[C@@H]1CCCC[N@H+]1CCO)c1cc(Br)cc(Cl)c1O ZINC000331353247 563547381 /nfs/dbraw/zinc/54/73/81/563547381.db2.gz ZWWKASHVGYOJMT-NSHDSACASA-N 1 2 391.693 2.960 20 30 GFEDLO O=C(NC[C@@H]1CCCC[N@@H+]1CCO)c1cc(Br)cc(Cl)c1O ZINC000331353247 563547382 /nfs/dbraw/zinc/54/73/82/563547382.db2.gz ZWWKASHVGYOJMT-NSHDSACASA-N 1 2 391.693 2.960 20 30 GFEDLO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000408434983 563555830 /nfs/dbraw/zinc/55/58/30/563555830.db2.gz UESWWYIWFYMAHD-IUODEOHRSA-N 1 2 398.326 2.568 20 30 GFEDLO C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000408434983 563555833 /nfs/dbraw/zinc/55/58/33/563555833.db2.gz UESWWYIWFYMAHD-IUODEOHRSA-N 1 2 398.326 2.568 20 30 GFEDLO Cc1ccc(S(=O)(=O)NCC[N@@H+](C)CC#Cc2cccc(Cl)c2)cc1 ZINC000437585738 563696732 /nfs/dbraw/zinc/69/67/32/563696732.db2.gz WQOYLEWSKAMDRM-UHFFFAOYSA-N 1 2 376.909 2.910 20 30 GFEDLO Cc1ccc(S(=O)(=O)NCC[N@H+](C)CC#Cc2cccc(Cl)c2)cc1 ZINC000437585738 563696733 /nfs/dbraw/zinc/69/67/33/563696733.db2.gz WQOYLEWSKAMDRM-UHFFFAOYSA-N 1 2 376.909 2.910 20 30 GFEDLO N#CCSCC(=O)N(CCCn1cc[nH+]c1)c1ccc(Br)cn1 ZINC000416035103 563803330 /nfs/dbraw/zinc/80/33/30/563803330.db2.gz PMWHDWQHDOPFBQ-UHFFFAOYSA-N 1 2 394.298 2.721 20 30 GFEDLO C[C@@H](C#N)S(=O)(=O)NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000416368617 563818168 /nfs/dbraw/zinc/81/81/68/563818168.db2.gz GXPIBVQUUOMIAG-YOEHRIQHSA-N 1 2 375.519 2.679 20 30 GFEDLO C[C@@H](C#N)S(=O)(=O)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000416368617 563818171 /nfs/dbraw/zinc/81/81/71/563818171.db2.gz GXPIBVQUUOMIAG-YOEHRIQHSA-N 1 2 375.519 2.679 20 30 GFEDLO C=CCNC(=O)C[NH2+][C@H](CC)c1noc(-c2cccc(Br)c2)n1 ZINC000368220739 563866945 /nfs/dbraw/zinc/86/69/45/563866945.db2.gz GFWVPBFLXTXJAO-CYBMUJFWSA-N 1 2 379.258 2.842 20 30 GFEDLO CC[N@@H+](Cc1cc(Br)ccc1O[C@@H](C)C(=O)NC)C[C@@H](C)C#N ZINC000449018512 563905604 /nfs/dbraw/zinc/90/56/04/563905604.db2.gz SJCPKEGYSPAFRI-STQMWFEESA-N 1 2 382.302 2.944 20 30 GFEDLO CC[N@H+](Cc1cc(Br)ccc1O[C@@H](C)C(=O)NC)C[C@@H](C)C#N ZINC000449018512 563905605 /nfs/dbraw/zinc/90/56/05/563905605.db2.gz SJCPKEGYSPAFRI-STQMWFEESA-N 1 2 382.302 2.944 20 30 GFEDLO C[N@H+](Cc1ccccc1)C1CN(S(=O)(=O)c2ccc(C#N)cc2Cl)C1 ZINC000510471003 564334935 /nfs/dbraw/zinc/33/49/35/564334935.db2.gz ZOQASXVAIARRLB-UHFFFAOYSA-N 1 2 375.881 2.717 20 30 GFEDLO C[N@@H+](Cc1ccccc1)C1CN(S(=O)(=O)c2ccc(C#N)cc2Cl)C1 ZINC000510471003 564334940 /nfs/dbraw/zinc/33/49/40/564334940.db2.gz ZOQASXVAIARRLB-UHFFFAOYSA-N 1 2 375.881 2.717 20 30 GFEDLO Cn1cc[nH+]c1[C@@H](NC(=O)COc1ccc(C#N)c(Br)c1)C1CC1 ZINC000451681183 564339363 /nfs/dbraw/zinc/33/93/63/564339363.db2.gz VWQKZNMWXDAMQU-INIZCTEOSA-N 1 2 389.253 2.701 20 30 GFEDLO Cc1cc(Br)cn2cc(CCNC(=O)c3ccnc(C#N)c3)[nH+]c12 ZINC000476672208 564351072 /nfs/dbraw/zinc/35/10/72/564351072.db2.gz IXBJMGDXQWCYKO-UHFFFAOYSA-N 1 2 384.237 2.644 20 30 GFEDLO N#Cc1ccc(NC(=O)C[N@@H+](CCO)Cc2ccc(Br)s2)cc1 ZINC000485113362 564607439 /nfs/dbraw/zinc/60/74/39/564607439.db2.gz MFDLOIOFYCHQDO-UHFFFAOYSA-N 1 2 394.294 2.815 20 30 GFEDLO N#Cc1ccc(NC(=O)C[N@H+](CCO)Cc2ccc(Br)s2)cc1 ZINC000485113362 564607443 /nfs/dbraw/zinc/60/74/43/564607443.db2.gz MFDLOIOFYCHQDO-UHFFFAOYSA-N 1 2 394.294 2.815 20 30 GFEDLO CCC(C#N)(CC)C(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000529471356 564836829 /nfs/dbraw/zinc/83/68/29/564836829.db2.gz JGXKLNJUROFQBW-UHFFFAOYSA-N 1 2 381.274 2.949 20 30 GFEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCSC[C@@H]1CCO ZINC000470200968 565040883 /nfs/dbraw/zinc/04/08/83/565040883.db2.gz FDUUJATXWDSUMD-CABCVRRESA-N 1 2 379.551 2.819 20 30 GFEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCSC[C@@H]1CCO ZINC000470200968 565040886 /nfs/dbraw/zinc/04/08/86/565040886.db2.gz FDUUJATXWDSUMD-CABCVRRESA-N 1 2 379.551 2.819 20 30 GFEDLO C[N@@H+]1CC[C@H](NS(=O)(=O)CC2(C#N)CCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000584746883 565094864 /nfs/dbraw/zinc/09/48/64/565094864.db2.gz OLZOLUXDNOILAM-JKSUJKDBSA-N 1 2 385.892 2.838 20 30 GFEDLO C[N@H+]1CC[C@H](NS(=O)(=O)CC2(C#N)CCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000584746883 565094868 /nfs/dbraw/zinc/09/48/68/565094868.db2.gz OLZOLUXDNOILAM-JKSUJKDBSA-N 1 2 385.892 2.838 20 30 GFEDLO C=CCOc1ccc(Br)cc1NC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000640266239 565293300 /nfs/dbraw/zinc/29/33/00/565293300.db2.gz NHEHKLHESMTKCN-GFCCVEGCSA-N 1 2 377.242 2.957 20 30 GFEDLO CC#CC[NH2+]Cc1cn(CC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)nn1 ZINC000640838527 565329554 /nfs/dbraw/zinc/32/95/54/565329554.db2.gz IJXIMIWMZNRJFB-GFCCVEGCSA-N 1 2 380.279 2.575 20 30 GFEDLO C[N@@H+]1CCc2nc(NC(=O)Cc3ccc(Br)cc3C#N)sc2C1 ZINC000593413561 565329913 /nfs/dbraw/zinc/32/99/13/565329913.db2.gz DFMKOXMMYISKSR-UHFFFAOYSA-N 1 2 391.294 2.946 20 30 GFEDLO C[N@H+]1CCc2nc(NC(=O)Cc3ccc(Br)cc3C#N)sc2C1 ZINC000593413561 565329919 /nfs/dbraw/zinc/32/99/19/565329919.db2.gz DFMKOXMMYISKSR-UHFFFAOYSA-N 1 2 391.294 2.946 20 30 GFEDLO N#Cc1cc(Br)ccc1CC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000593404120 565330529 /nfs/dbraw/zinc/33/05/29/565330529.db2.gz WIMUWWDJJLPMLJ-UHFFFAOYSA-N 1 2 387.281 2.755 20 30 GFEDLO COCC[N@@H+](Cc1cc(C#N)ccc1Br)C[C@@H](O)C(F)(F)F ZINC000594017313 565372211 /nfs/dbraw/zinc/37/22/11/565372211.db2.gz CTQDZVNOSGIGRR-CYBMUJFWSA-N 1 2 381.192 2.692 20 30 GFEDLO COCC[N@H+](Cc1cc(C#N)ccc1Br)C[C@@H](O)C(F)(F)F ZINC000594017313 565372216 /nfs/dbraw/zinc/37/22/16/565372216.db2.gz CTQDZVNOSGIGRR-CYBMUJFWSA-N 1 2 381.192 2.692 20 30 GFEDLO C[C@H](C(=O)Nc1cccc(Br)c1)[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602856743 565870313 /nfs/dbraw/zinc/87/03/13/565870313.db2.gz NFBNBPDZFQZIRA-MGPQQGTHSA-N 1 2 379.302 2.694 20 30 GFEDLO N#Cc1ccc(CN2CCC[N@@H+](Cc3cccc(-c4nn[nH]n4)c3F)CC2)cc1 ZINC000826384721 608642703 /nfs/dbraw/zinc/64/27/03/608642703.db2.gz HDNXUQWWHFTYQB-UHFFFAOYSA-N 1 2 391.454 2.585 20 30 GFEDLO N#Cc1ccc(CN2CCC[N@H+](Cc3cccc(-c4nn[nH]n4)c3F)CC2)cc1 ZINC000826384721 608642704 /nfs/dbraw/zinc/64/27/04/608642704.db2.gz HDNXUQWWHFTYQB-UHFFFAOYSA-N 1 2 391.454 2.585 20 30 GFEDLO C=CCS(=O)(=O)CC[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000272848154 655123157 /nfs/dbraw/zinc/12/31/57/655123157.db2.gz ODMOMVGNHANHRM-UHFFFAOYSA-N 1 2 384.299 2.530 20 30 GFEDLO C[C@@H](Cc1ccc(Cl)cc1)[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000576142952 655444264 /nfs/dbraw/zinc/44/42/64/655444264.db2.gz DSFIFFLUSSQBTR-AWEZNQCLSA-N 1 2 377.897 2.943 20 30 GFEDLO C[C@@H](Cc1ccc(Cl)cc1)[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000576142952 655444265 /nfs/dbraw/zinc/44/42/65/655444265.db2.gz DSFIFFLUSSQBTR-AWEZNQCLSA-N 1 2 377.897 2.943 20 30 GFEDLO N#Cc1cc(Br)cc(S(=O)(=O)Nc2c[nH+]c3n2CCCC3)c1 ZINC000577586426 655462632 /nfs/dbraw/zinc/46/26/32/655462632.db2.gz KSKOERUHQCXMNH-UHFFFAOYSA-N 1 2 381.255 2.654 20 30 GFEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)CC(=O)Nc1c(Cl)cccc1Cl ZINC000763460592 656083681 /nfs/dbraw/zinc/08/36/81/656083681.db2.gz KTLCVYPXGRBBPZ-HNNXBMFYSA-N 1 2 382.291 2.878 20 30 GFEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)CC(=O)Nc1c(Cl)cccc1Cl ZINC000763460592 656083685 /nfs/dbraw/zinc/08/36/85/656083685.db2.gz KTLCVYPXGRBBPZ-HNNXBMFYSA-N 1 2 382.291 2.878 20 30 GFEDLO C=CCSc1ccccc1NC(=O)COC(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000772047980 656370969 /nfs/dbraw/zinc/37/09/69/656370969.db2.gz KEVYPUIUVOBEGL-CQSZACIVSA-N 1 2 380.535 2.884 20 30 GFEDLO C=CCSc1ccccc1NC(=O)COC(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000772047980 656370973 /nfs/dbraw/zinc/37/09/73/656370973.db2.gz KEVYPUIUVOBEGL-CQSZACIVSA-N 1 2 380.535 2.884 20 30 GFEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cc(Br)cc(C(=O)OC)c1C ZINC000841449895 661266689 /nfs/dbraw/zinc/26/66/89/661266689.db2.gz WPFSRBHZZJMNNJ-HNNXBMFYSA-N 1 2 379.254 2.580 20 30 GFEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(Br)cc(C(=O)OC)c1C ZINC000841449895 661266715 /nfs/dbraw/zinc/26/67/15/661266715.db2.gz WPFSRBHZZJMNNJ-HNNXBMFYSA-N 1 2 379.254 2.580 20 30 GFEDLO C#CCOc1cccc(Cl)c1C[NH+]1CCC(N(CC)S(C)(=O)=O)CC1 ZINC000779157010 656902707 /nfs/dbraw/zinc/90/27/07/656902707.db2.gz LUQATEXCVUBGOH-UHFFFAOYSA-N 1 2 384.929 2.598 20 30 GFEDLO C#CC[NH+]1CCC(C(=O)O[C@@H](C)C(=O)c2ccccc2Br)CC1 ZINC000789055578 657814447 /nfs/dbraw/zinc/81/44/47/657814447.db2.gz DZUQLSXHCLNXCO-ZDUSSCGKSA-N 1 2 378.266 2.909 20 30 GFEDLO CS(=O)(=O)c1ccc(CO[NH+]=C(N)c2ccc(Br)cc2)cc1 ZINC000789591980 657870571 /nfs/dbraw/zinc/87/05/71/657870571.db2.gz PFPZICXFILSYSU-UHFFFAOYSA-N 1 2 383.267 2.690 20 30 GFEDLO C#CCC(CC#C)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000807361807 659852475 /nfs/dbraw/zinc/85/24/75/659852475.db2.gz CHGOBPKELIZFKS-UHFFFAOYSA-N 1 2 388.309 2.802 20 30 GFEDLO C=C(C)CONC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000845609921 661483587 /nfs/dbraw/zinc/48/35/87/661483587.db2.gz HVOBZLANRDSDTE-UHFFFAOYSA-N 1 2 383.246 2.958 20 30 GFEDLO N#CCCCC[C@H]([NH3+])c1nc(CS(=O)(=O)Cc2ccc(Cl)cc2)no1 ZINC000848630805 661668778 /nfs/dbraw/zinc/66/87/78/661668778.db2.gz RUZJCYVMVVWEON-AWEZNQCLSA-N 1 2 382.873 2.922 20 30 GFEDLO O=S(=O)(CC[NH2+]Cc1c(F)cccc1OC(F)(F)F)CC(F)(F)F ZINC000850364906 661772744 /nfs/dbraw/zinc/77/27/44/661772744.db2.gz YEOBSQXNYMXZLV-UHFFFAOYSA-N 1 2 383.285 2.791 20 30 GFEDLO C=CCOc1ccc(Br)cc1NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000868843124 662621760 /nfs/dbraw/zinc/62/17/60/662621760.db2.gz QHNLVIMUXWRVPO-ARJAWSKDSA-N 1 2 381.270 2.841 20 30 GFEDLO Cc1nn(C)c(N2CCOCC2)c1C=[NH+]Nc1cccc(F)c1Br ZINC000872433766 662765986 /nfs/dbraw/zinc/76/59/86/662765986.db2.gz PUFAHTFSLKXVDR-UHFFFAOYSA-N 1 2 396.264 2.913 20 30 GFEDLO C#CCC1(O)CC[NH+](Cc2nc(-c3cc(Br)cs3)no2)CC1 ZINC000880478795 662960818 /nfs/dbraw/zinc/96/08/18/662960818.db2.gz GDPUXMSBEKZBMH-UHFFFAOYSA-N 1 2 382.283 2.911 20 30 GFEDLO N#Cc1nc(NC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)ccc1Br ZINC000883086082 663048269 /nfs/dbraw/zinc/04/82/69/663048269.db2.gz KLPJUEWCRVOANI-NSHDSACASA-N 1 2 375.230 2.781 20 30 GFEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@H]1c1cccc(Br)c1 ZINC000884086322 663064805 /nfs/dbraw/zinc/06/48/05/663064805.db2.gz UXWJQUSLOFLCOQ-GJZGRUSLSA-N 1 2 381.270 2.559 20 30 GFEDLO C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000929378862 664751482 /nfs/dbraw/zinc/75/14/82/664751482.db2.gz FHQLTEVLRFTECU-ZBFHGGJFSA-N 1 2 384.929 2.796 20 30 GFEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H](Cc3nccs3)C2)cc1 ZINC000932195278 664812812 /nfs/dbraw/zinc/81/28/12/664812812.db2.gz AIFLVXCOBBUAFM-INIZCTEOSA-N 1 2 375.519 2.743 20 30 GFEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@@H](Cc3nccs3)C2)cc1 ZINC000932195278 664812813 /nfs/dbraw/zinc/81/28/13/664812813.db2.gz AIFLVXCOBBUAFM-INIZCTEOSA-N 1 2 375.519 2.743 20 30 GFEDLO CCn1nncc1C[N@@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932945208 664844075 /nfs/dbraw/zinc/84/40/75/664844075.db2.gz SSOIBJJXABEEEG-DTORHVGOSA-N 1 2 378.267 2.901 20 30 GFEDLO CCn1nncc1C[N@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932945208 664844076 /nfs/dbraw/zinc/84/40/76/664844076.db2.gz SSOIBJJXABEEEG-DTORHVGOSA-N 1 2 378.267 2.901 20 30 GFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C(C)(C)C1 ZINC000940899507 665008409 /nfs/dbraw/zinc/00/84/09/665008409.db2.gz PLAKOFNSKGKSEG-IBPCWRJOSA-N 1 2 383.330 2.535 20 30 GFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C(C)(C)C1 ZINC000940899507 665008413 /nfs/dbraw/zinc/00/84/13/665008413.db2.gz PLAKOFNSKGKSEG-IBPCWRJOSA-N 1 2 383.330 2.535 20 30 GFEDLO Cc1cc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)nc(C#N)n1 ZINC001164673416 719513096 /nfs/dbraw/zinc/51/30/96/719513096.db2.gz SPUFZSADYLNQKN-UHFFFAOYSA-N 1 2 381.455 2.667 20 30 GFEDLO Cc1cc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)nc(C#N)n1 ZINC001164673416 719513106 /nfs/dbraw/zinc/51/31/06/719513106.db2.gz SPUFZSADYLNQKN-UHFFFAOYSA-N 1 2 381.455 2.667 20 30 GFEDLO N#Cc1cc(Cl)nc(C(F)(F)N2CC[NH+](CCc3ccccn3)CC2)c1 ZINC001165055956 722013750 /nfs/dbraw/zinc/01/37/50/722013750.db2.gz OMGPMUITBYODPX-UHFFFAOYSA-N 1 2 377.826 2.911 20 30 GFEDLO N#Cc1ccc(N2CC[NH+](Cc3cn4cc(Br)ccc4n3)CC2)nc1 ZINC000052442394 551164266 /nfs/dbraw/zinc/16/42/66/551164266.db2.gz HQVOKNHONKKLBX-UHFFFAOYSA-N 1 2 397.280 2.686 20 30 GFEDLO CC(C)(C)NC(=O)C[NH+]1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000120990470 551224180 /nfs/dbraw/zinc/22/41/80/551224180.db2.gz VQOZRIIHJDIPOR-MRXNPFEDSA-N 1 2 393.329 2.546 20 30 GFEDLO Cn1cc[nH+]c1C[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)C1 ZINC000122033483 551293731 /nfs/dbraw/zinc/29/37/31/551293731.db2.gz CFERJHHJUVVMQE-ZDUSSCGKSA-N 1 2 378.885 2.589 20 30 GFEDLO COc1ccc(CN(CCC#N)CC[NH+]2CCOCC2)cc1Br ZINC000155763028 551507085 /nfs/dbraw/zinc/50/70/85/551507085.db2.gz GILRITWLQXTHNR-UHFFFAOYSA-N 1 2 382.302 2.506 20 30 GFEDLO C[C@H](CNS(=O)(=O)c1cccc(Cl)c1C#N)[N@@H+]1CCc2sccc2C1 ZINC000156408266 551522250 /nfs/dbraw/zinc/52/22/50/551522250.db2.gz JIWZTYYSFAMUTO-GFCCVEGCSA-N 1 2 395.937 2.998 20 30 GFEDLO C[C@H](CNS(=O)(=O)c1cccc(Cl)c1C#N)[N@H+]1CCc2sccc2C1 ZINC000156408266 551522252 /nfs/dbraw/zinc/52/22/52/551522252.db2.gz JIWZTYYSFAMUTO-GFCCVEGCSA-N 1 2 395.937 2.998 20 30 GFEDLO N#Cc1ccc(Cl)c(S(=O)(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)c1 ZINC000186065246 552378207 /nfs/dbraw/zinc/37/82/07/552378207.db2.gz IGHZMPXKBKNIEX-HNNXBMFYSA-N 1 2 379.869 2.920 20 30 GFEDLO N#C[C@H](c1ccc(Br)cc1)N1CC[NH+](Cc2ccnc(N)c2)CC1 ZINC000193460915 552993982 /nfs/dbraw/zinc/99/39/82/552993982.db2.gz BBXMVGXGMXPPPP-QGZVFWFLSA-N 1 2 386.297 2.809 20 30 GFEDLO C[C@@H](C#N)C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccc(I)cc1 ZINC000478446232 564402547 /nfs/dbraw/zinc/40/25/47/564402547.db2.gz MBNCABRTJHZLIL-SWLSCSKDSA-N 1 2 397.260 2.531 20 30 GFEDLO C[C@@H](C#N)C(=O)NC[C@H]1CCC[N@H+]1Cc1ccc(I)cc1 ZINC000478446232 564402554 /nfs/dbraw/zinc/40/25/54/564402554.db2.gz MBNCABRTJHZLIL-SWLSCSKDSA-N 1 2 397.260 2.531 20 30 GFEDLO N#C[C@@H]1CC[C@@H]([NH+]2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)C1 ZINC000278564330 563261608 /nfs/dbraw/zinc/26/16/08/563261608.db2.gz IREJUGHTOCACNY-CHWSQXEVSA-N 1 2 388.320 2.992 20 30 GFEDLO N#Cc1ccc(C[NH+]2CCC(NS(=O)(=O)c3ccc(Cl)cc3)CC2)o1 ZINC000371417176 563277112 /nfs/dbraw/zinc/27/71/12/563277112.db2.gz SAOQFJOMUWWCFC-UHFFFAOYSA-N 1 2 379.869 2.748 20 30 GFEDLO C#CCNC(=O)[C@H](C)[NH2+][C@@H](CC)c1noc(-c2cccc(Br)c2)n1 ZINC000371790526 563287396 /nfs/dbraw/zinc/28/73/96/563287396.db2.gz XVYAKFYHEYZDHF-FZMZJTMJSA-N 1 2 391.269 2.678 20 30 GFEDLO CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCN(c2cccc(Br)c2)CC1 ZINC000330504265 563508259 /nfs/dbraw/zinc/50/82/59/563508259.db2.gz HIHPWEUURBPWAD-SFHVURJKSA-N 1 2 393.329 2.626 20 30 GFEDLO COc1ccc(NC(=O)NCC[N@@H+]2CCOC(C)(C)C2)c(Br)c1 ZINC000330630238 563514926 /nfs/dbraw/zinc/51/49/26/563514926.db2.gz CLUZXRMVJJFPSB-UHFFFAOYSA-N 1 2 386.290 2.894 20 30 GFEDLO COc1ccc(NC(=O)NCC[N@H+]2CCOC(C)(C)C2)c(Br)c1 ZINC000330630238 563514927 /nfs/dbraw/zinc/51/49/27/563514927.db2.gz CLUZXRMVJJFPSB-UHFFFAOYSA-N 1 2 386.290 2.894 20 30 GFEDLO CC[C@@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C[C@H](C)[S@]1=O ZINC000285864163 563540543 /nfs/dbraw/zinc/54/05/43/563540543.db2.gz IQQRWXCMWQXIQK-SMLFXBKZSA-N 1 2 379.551 2.668 20 30 GFEDLO CC[C@@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C[C@H](C)[S@]1=O ZINC000285864163 563540548 /nfs/dbraw/zinc/54/05/48/563540548.db2.gz IQQRWXCMWQXIQK-SMLFXBKZSA-N 1 2 379.551 2.668 20 30 GFEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000286727178 563572831 /nfs/dbraw/zinc/57/28/31/563572831.db2.gz XMVCDZKVZZCJAH-YPMHNXCESA-N 1 2 375.778 2.643 20 30 GFEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000286727178 563572834 /nfs/dbraw/zinc/57/28/34/563572834.db2.gz XMVCDZKVZZCJAH-YPMHNXCESA-N 1 2 375.778 2.643 20 30 GFEDLO C[N@H+](CCC#N)C[C@H](O)CSc1nnc(-c2ccc(Br)cc2)o1 ZINC000414093735 563718669 /nfs/dbraw/zinc/71/86/69/563718669.db2.gz HLWBMRXNTBUHAL-ZDUSSCGKSA-N 1 2 397.298 2.798 20 30 GFEDLO C[N@@H+](CCC#N)C[C@H](O)CSc1nnc(-c2ccc(Br)cc2)o1 ZINC000414093735 563718671 /nfs/dbraw/zinc/71/86/71/563718671.db2.gz HLWBMRXNTBUHAL-ZDUSSCGKSA-N 1 2 397.298 2.798 20 30 GFEDLO Cn1cc(C[NH+]2CCC(O)(c3scnc3Br)CC2)cc1C#N ZINC000366776091 563819513 /nfs/dbraw/zinc/81/95/13/563819513.db2.gz MTXKALDDEZANLV-UHFFFAOYSA-N 1 2 381.299 2.599 20 30 GFEDLO N#Cc1ccc(OCC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1Br ZINC000449833994 564204872 /nfs/dbraw/zinc/20/48/72/564204872.db2.gz ISTJNJRMXNSEJA-CYBMUJFWSA-N 1 2 389.253 2.829 20 30 GFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)Cc1csc(Cc2cccc(Cl)c2)n1 ZINC000565574521 564286162 /nfs/dbraw/zinc/28/61/62/564286162.db2.gz FSVWKDIRAIUMKA-SFHVURJKSA-N 1 2 376.913 2.890 20 30 GFEDLO C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000569814434 564479583 /nfs/dbraw/zinc/47/95/83/564479583.db2.gz FRLOOICBSMPKHI-BMIGLBTASA-N 1 2 388.693 2.830 20 30 GFEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2C(=O)N2CCSCC2)c(Br)c1 ZINC000480748156 564486842 /nfs/dbraw/zinc/48/68/42/564486842.db2.gz KZEVWTXYOWQJSK-MRXNPFEDSA-N 1 2 394.338 2.861 20 30 GFEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H]2C(=O)N2CCSCC2)c(Br)c1 ZINC000480748156 564486848 /nfs/dbraw/zinc/48/68/48/564486848.db2.gz KZEVWTXYOWQJSK-MRXNPFEDSA-N 1 2 394.338 2.861 20 30 GFEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000516000231 564491270 /nfs/dbraw/zinc/49/12/70/564491270.db2.gz ABUFBTZUOCBOSQ-MLGOLLRUSA-N 1 2 396.285 2.600 20 30 GFEDLO N#Cc1ccc(C(=O)N(CCn2cc[nH+]c2)Cc2ccc(Br)o2)[nH]1 ZINC000553155283 564711414 /nfs/dbraw/zinc/71/14/14/564711414.db2.gz ANMHNLHGNQSQGQ-UHFFFAOYSA-N 1 2 388.225 2.781 20 30 GFEDLO C=CCOc1c(Br)cc(C[NH+]2C[C@H](OC)[C@@H](OC)C2)cc1OC ZINC000488552684 564713952 /nfs/dbraw/zinc/71/39/52/564713952.db2.gz CQLFZUHSONJDAK-HOTGVXAUSA-N 1 2 386.286 2.868 20 30 GFEDLO C=C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000489497480 564741979 /nfs/dbraw/zinc/74/19/79/564741979.db2.gz OUAJULLBDHRQDP-AWEZNQCLSA-N 1 2 385.917 2.569 20 30 GFEDLO C=C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000489497480 564741982 /nfs/dbraw/zinc/74/19/82/564741982.db2.gz OUAJULLBDHRQDP-AWEZNQCLSA-N 1 2 385.917 2.569 20 30 GFEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCC[C@H](S(C)(=O)=O)CC1 ZINC000502841423 565006775 /nfs/dbraw/zinc/00/67/75/565006775.db2.gz JFOVLQMDEQHXLA-WBVHZDCISA-N 1 2 384.567 2.550 20 30 GFEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCC[C@H](S(C)(=O)=O)CC1 ZINC000502841423 565006778 /nfs/dbraw/zinc/00/67/78/565006778.db2.gz JFOVLQMDEQHXLA-WBVHZDCISA-N 1 2 384.567 2.550 20 30 GFEDLO NS(=O)(=O)c1ccc(C[NH+]2C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C2)c(F)c1 ZINC000638159642 565187406 /nfs/dbraw/zinc/18/74/06/565187406.db2.gz RSYAUHKALHTADR-NXEZZACHSA-N 1 2 394.312 2.646 20 30 GFEDLO CC#CC[NH2+]Cc1cn([C@H](C)C(=O)Nc2ccc(Br)c(C)c2)nn1 ZINC000640907377 565336143 /nfs/dbraw/zinc/33/61/43/565336143.db2.gz QLGJAGVCUJQUIK-CYBMUJFWSA-N 1 2 390.285 2.662 20 30 GFEDLO N#Cc1sccc1S(=O)(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000593591703 565346589 /nfs/dbraw/zinc/34/65/89/565346589.db2.gz LMQIAXYJRWMMAB-ZDUSSCGKSA-N 1 2 376.507 2.721 20 30 GFEDLO N#Cc1sccc1S(=O)(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000593591702 565346627 /nfs/dbraw/zinc/34/66/27/565346627.db2.gz LMQIAXYJRWMMAB-CYBMUJFWSA-N 1 2 376.507 2.721 20 30 GFEDLO C[C@@](C#N)(NC(=O)C[NH+]1CCN(c2ccc(Cl)c(Cl)c2)CC1)C1CC1 ZINC000595658617 565487664 /nfs/dbraw/zinc/48/76/64/565487664.db2.gz GCYMZVWPQIJKLU-SFHVURJKSA-N 1 2 381.307 2.924 20 30 GFEDLO C[C@@H]1C[NH+](CC(=O)NCCc2cccc(Cl)c2Cl)C[C@@H](C)N1CC#N ZINC000602865465 565872165 /nfs/dbraw/zinc/87/21/65/565872165.db2.gz TUCPHPRHLNWIHX-ZIAGYGMSSA-N 1 2 383.323 2.570 20 30 GFEDLO C=C(C)C[C@H]1NC(=O)N(Cc2cn3cc(Br)cc(C)c3[nH+]2)C1=O ZINC000630978965 565930280 /nfs/dbraw/zinc/93/02/80/565930280.db2.gz LRLRRCCCJJIWRZ-CYBMUJFWSA-N 1 2 377.242 2.792 20 30 GFEDLO C=CCSCCNC(=O)N1CC[NH+]([C@@H](CO)c2ccc(Cl)cc2)CC1 ZINC000609565614 566044269 /nfs/dbraw/zinc/04/42/69/566044269.db2.gz MPRCNHPOSQLEPN-KRWDZBQOSA-N 1 2 383.945 2.620 20 30 GFEDLO NC(=NOCc1cccc(C[NH+]2CCOCC2)c1)c1ccc(Br)o1 ZINC000817379184 660192500 /nfs/dbraw/zinc/19/25/00/660192500.db2.gz VMHQFINACNQBHU-UHFFFAOYSA-N 1 2 394.269 2.711 20 30 GFEDLO Cn1cc[nH+]c1CCCOC(=O)COc1ccc(C#N)c(Br)c1 ZINC000835329470 660851221 /nfs/dbraw/zinc/85/12/21/660851221.db2.gz BCWPXRZSAFHGJZ-UHFFFAOYSA-N 1 2 378.226 2.609 20 30 GFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000052638801 654737890 /nfs/dbraw/zinc/73/78/90/654737890.db2.gz ZZLYLLLAOVSNKY-DPZKZMLUSA-N 1 2 384.307 2.891 20 30 GFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000052638801 654737892 /nfs/dbraw/zinc/73/78/92/654737892.db2.gz ZZLYLLLAOVSNKY-DPZKZMLUSA-N 1 2 384.307 2.891 20 30 GFEDLO COc1ccc(C[N@H+](C)CC(=O)Nc2ccc(Br)cn2)cc1C#N ZINC000135045118 655008236 /nfs/dbraw/zinc/00/82/36/655008236.db2.gz WPGWVPMFUPWBPD-UHFFFAOYSA-N 1 2 389.253 2.795 20 30 GFEDLO COc1ccc(C[N@@H+](C)CC(=O)Nc2ccc(Br)cn2)cc1C#N ZINC000135045118 655008238 /nfs/dbraw/zinc/00/82/38/655008238.db2.gz WPGWVPMFUPWBPD-UHFFFAOYSA-N 1 2 389.253 2.795 20 30 GFEDLO CC#CC[C@@H](CO)[NH2+]Cc1cc(Br)c(O)c(Br)c1 ZINC000717804335 655523759 /nfs/dbraw/zinc/52/37/59/655523759.db2.gz JPUBNYOUJUZOFC-JTQLQIEISA-N 1 2 377.076 2.781 20 30 GFEDLO Clc1ccc(-n2cc(C=NNC3=[NH+][C@@H]4CCCC[C@H]4N3)nn2)c(Cl)c1 ZINC000755815713 655889443 /nfs/dbraw/zinc/88/94/43/655889443.db2.gz VVACXDLXBCBTDU-ZIAGYGMSSA-N 1 2 378.267 2.768 20 30 GFEDLO N#Cc1cccc(N2CC[NH+](C[C@H](O)c3cccc(Br)c3)CC2)n1 ZINC000760912170 655994528 /nfs/dbraw/zinc/99/45/28/655994528.db2.gz VLCWYAGCRBDHIX-KRWDZBQOSA-N 1 2 387.281 2.571 20 30 GFEDLO C=CCSc1ccccc1NC(=O)COC(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000772047977 656370959 /nfs/dbraw/zinc/37/09/59/656370959.db2.gz KEVYPUIUVOBEGL-AWEZNQCLSA-N 1 2 380.535 2.884 20 30 GFEDLO C=CCSc1ccccc1NC(=O)COC(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000772047977 656370964 /nfs/dbraw/zinc/37/09/64/656370964.db2.gz KEVYPUIUVOBEGL-AWEZNQCLSA-N 1 2 380.535 2.884 20 30 GFEDLO NC(=[NH+]OCC(=O)NCc1ccccc1F)c1ccc(Br)cc1 ZINC000782949391 657195648 /nfs/dbraw/zinc/19/56/48/657195648.db2.gz UMQVBUSAXXZDTE-UHFFFAOYSA-N 1 2 380.217 2.542 20 30 GFEDLO C#CC[NH+]1CCC(C(=O)O[C@H](C)C(=O)c2ccccc2Br)CC1 ZINC000789055575 657814465 /nfs/dbraw/zinc/81/44/65/657814465.db2.gz DZUQLSXHCLNXCO-CYBMUJFWSA-N 1 2 378.266 2.909 20 30 GFEDLO C#C[C@H](NC(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1)C(C)C ZINC000798544493 659116084 /nfs/dbraw/zinc/11/60/84/659116084.db2.gz AGXJAJPELBFIAP-HNNXBMFYSA-N 1 2 377.286 2.905 20 30 GFEDLO CC(=NNCCC[NH+]1CCOCC1)c1cc(Br)cc(Cl)c1O ZINC000799489826 659194458 /nfs/dbraw/zinc/19/44/58/659194458.db2.gz DYDIMZRCWHEAQT-UHFFFAOYSA-N 1 2 390.709 2.844 20 30 GFEDLO C#CCN(CC[N@@H+]1CCO[C@@H](C)C1)[C@H]1CCOc2ccc(Br)cc21 ZINC000800344413 659302846 /nfs/dbraw/zinc/30/28/46/659302846.db2.gz GSFGLQHMFAESIQ-YJBOKZPZSA-N 1 2 393.325 2.929 20 30 GFEDLO C#CCN(CC[N@H+]1CCO[C@@H](C)C1)[C@H]1CCOc2ccc(Br)cc21 ZINC000800344413 659302854 /nfs/dbraw/zinc/30/28/54/659302854.db2.gz GSFGLQHMFAESIQ-YJBOKZPZSA-N 1 2 393.325 2.929 20 30 GFEDLO C#CCN(CC[N@@H+]1CCO[C@H](C)C1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000800344409 659303024 /nfs/dbraw/zinc/30/30/24/659303024.db2.gz GSFGLQHMFAESIQ-CRAIPNDOSA-N 1 2 393.325 2.929 20 30 GFEDLO C#CCN(CC[N@H+]1CCO[C@H](C)C1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000800344409 659303029 /nfs/dbraw/zinc/30/30/29/659303029.db2.gz GSFGLQHMFAESIQ-CRAIPNDOSA-N 1 2 393.325 2.929 20 30 GFEDLO CC#CC[NH2+]Cc1cn(C[C@](C)(O)c2ccc(Br)cc2Cl)nn1 ZINC000881423556 662993665 /nfs/dbraw/zinc/99/36/65/662993665.db2.gz BHKYWQJXBWONKD-INIZCTEOSA-N 1 2 397.704 2.715 20 30 GFEDLO N#Cc1nc(NC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)ccc1Br ZINC000883086081 663048248 /nfs/dbraw/zinc/04/82/48/663048248.db2.gz KLPJUEWCRVOANI-LLVKDONJSA-N 1 2 375.230 2.781 20 30 GFEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1C[C@H](c2ccc(Br)cc2)C[C@H]1C ZINC000884440207 663070814 /nfs/dbraw/zinc/07/08/14/663070814.db2.gz APVGKLIKWAYOBG-XPKDYRNWSA-N 1 2 395.297 2.600 20 30 GFEDLO C[C@@H](C[N@@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)S(C)(=O)=O ZINC000932942215 664843645 /nfs/dbraw/zinc/84/36/45/664843645.db2.gz GECTXVBRFUONBT-BIIVOSGPSA-N 1 2 389.308 2.522 20 30 GFEDLO C[C@@H](C[N@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)S(C)(=O)=O ZINC000932942215 664843646 /nfs/dbraw/zinc/84/36/46/664843646.db2.gz GECTXVBRFUONBT-BIIVOSGPSA-N 1 2 389.308 2.522 20 30 GFEDLO CCCNC(=O)[C@H](C)[NH+]1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000120987009 551224361 /nfs/dbraw/zinc/22/43/61/551224361.db2.gz DXCZMJYMDKCACV-YOEHRIQHSA-N 1 2 393.329 2.546 20 30 GFEDLO Cc1cc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)c(C)cc1Br ZINC000157490061 551538600 /nfs/dbraw/zinc/53/86/00/551538600.db2.gz QMLFZMCHSDRCGD-UHFFFAOYSA-N 1 2 394.313 2.754 20 30 GFEDLO C=CC[N@@H+](CCOc1ccc(OC(F)(F)F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000174157452 552100753 /nfs/dbraw/zinc/10/07/53/552100753.db2.gz LOWYMUUBWGDEBW-ZDUSSCGKSA-N 1 2 379.400 2.639 20 30 GFEDLO C=CC[N@H+](CCOc1ccc(OC(F)(F)F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000174157452 552100756 /nfs/dbraw/zinc/10/07/56/552100756.db2.gz LOWYMUUBWGDEBW-ZDUSSCGKSA-N 1 2 379.400 2.639 20 30 GFEDLO C[C@@H](CNS(=O)(=O)c1ccc(C#N)cc1Cl)[N@@H+]1CCc2sccc2C1 ZINC000183475917 552310527 /nfs/dbraw/zinc/31/05/27/552310527.db2.gz HTKZIYDYPBEVHZ-LBPRGKRZSA-N 1 2 395.937 2.998 20 30 GFEDLO C[C@@H](CNS(=O)(=O)c1ccc(C#N)cc1Cl)[N@H+]1CCc2sccc2C1 ZINC000183475917 552310531 /nfs/dbraw/zinc/31/05/31/552310531.db2.gz HTKZIYDYPBEVHZ-LBPRGKRZSA-N 1 2 395.937 2.998 20 30 GFEDLO Cc1sc(NC(=O)C[N@@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)c(C#N)c1C ZINC000277712831 563222202 /nfs/dbraw/zinc/22/22/02/563222202.db2.gz IOXPGSWUOOVROI-RISCZKNCSA-N 1 2 375.416 2.810 20 30 GFEDLO Cc1sc(NC(=O)C[N@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)c(C#N)c1C ZINC000277712831 563222205 /nfs/dbraw/zinc/22/22/05/563222205.db2.gz IOXPGSWUOOVROI-RISCZKNCSA-N 1 2 375.416 2.810 20 30 GFEDLO N#C[C@@H]1CC[C@H]([NH+]2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000278661225 563265660 /nfs/dbraw/zinc/26/56/60/563265660.db2.gz QMLZZBLOLBHAHX-OLZOCXBDSA-N 1 2 388.320 2.992 20 30 GFEDLO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000297889487 563338901 /nfs/dbraw/zinc/33/89/01/563338901.db2.gz QROIPHYRDRKMHT-UHFFFAOYSA-N 1 2 380.901 2.661 20 30 GFEDLO C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000328665133 563462446 /nfs/dbraw/zinc/46/24/46/563462446.db2.gz BZZMEYYJFQBXNF-OLZOCXBDSA-N 1 2 386.279 2.633 20 30 GFEDLO C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000328665133 563462447 /nfs/dbraw/zinc/46/24/47/563462447.db2.gz BZZMEYYJFQBXNF-OLZOCXBDSA-N 1 2 386.279 2.633 20 30 GFEDLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)c1cc(-c2cccs2)on1 ZINC000329095118 563472255 /nfs/dbraw/zinc/47/22/55/563472255.db2.gz XUBHGLGMNBRPLK-QGZVFWFLSA-N 1 2 379.507 2.916 20 30 GFEDLO Cc1noc([C@H]2C[N@@H+](Cc3ccc(C#N)cc3Br)CCN2C)n1 ZINC000284483168 563477186 /nfs/dbraw/zinc/47/71/86/563477186.db2.gz BYJFAILRVRXFOA-OAHLLOKOSA-N 1 2 376.258 2.501 20 30 GFEDLO Cc1noc([C@H]2C[N@H+](Cc3ccc(C#N)cc3Br)CCN2C)n1 ZINC000284483168 563477188 /nfs/dbraw/zinc/47/71/88/563477188.db2.gz BYJFAILRVRXFOA-OAHLLOKOSA-N 1 2 376.258 2.501 20 30 GFEDLO N#Cc1ccc(NC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)cc1Br ZINC000287050394 563584973 /nfs/dbraw/zinc/58/49/73/563584973.db2.gz ABPGINSKNFBGJI-HNNXBMFYSA-N 1 2 393.285 2.649 20 30 GFEDLO N#Cc1ccc(S(=O)(=O)CC[NH+]2CCC(n3cc(Cl)cn3)CC2)cc1 ZINC000365013759 563771463 /nfs/dbraw/zinc/77/14/63/563771463.db2.gz CEPYRYKUZJTSNP-UHFFFAOYSA-N 1 2 378.885 2.519 20 30 GFEDLO N#Cc1ccc(Br)cc1S(=O)(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000416423801 563827409 /nfs/dbraw/zinc/82/74/09/563827409.db2.gz XKVCVBDMZPXXOG-CYBMUJFWSA-N 1 2 395.282 2.960 20 30 GFEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc[nH]3)CC2)c(Br)c1 ZINC000367950521 563860235 /nfs/dbraw/zinc/86/02/35/563860235.db2.gz MLQNJLFGKPOHIG-UHFFFAOYSA-N 1 2 387.281 2.997 20 30 GFEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccc[nH]3)CC2)c(Br)c1 ZINC000367950521 563860238 /nfs/dbraw/zinc/86/02/38/563860238.db2.gz MLQNJLFGKPOHIG-UHFFFAOYSA-N 1 2 387.281 2.997 20 30 GFEDLO COC(=O)c1cccc(C[NH2+][C@@H](CO)c2ccc(Br)cc2)c1C#N ZINC000541055145 564265378 /nfs/dbraw/zinc/26/53/78/564265378.db2.gz RTPWOIWJMPFECQ-KRWDZBQOSA-N 1 2 389.249 2.931 20 30 GFEDLO N#Cc1ccnc(N2CC[NH+](CCOc3ccccc3Br)CC2)c1 ZINC000508910024 564276064 /nfs/dbraw/zinc/27/60/64/564276064.db2.gz AJJGATLSTLKXON-UHFFFAOYSA-N 1 2 387.281 2.917 20 30 GFEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](c2cccc(Br)c2)C1 ZINC000451570866 564327019 /nfs/dbraw/zinc/32/70/19/564327019.db2.gz QNODQOGZWUQIDE-JSGCOSHPSA-N 1 2 380.286 2.639 20 30 GFEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H](c2cccc(Br)c2)C1 ZINC000451570866 564327023 /nfs/dbraw/zinc/32/70/23/564327023.db2.gz QNODQOGZWUQIDE-JSGCOSHPSA-N 1 2 380.286 2.639 20 30 GFEDLO C=C(C)COCCNC(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000543698293 564360885 /nfs/dbraw/zinc/36/08/85/564360885.db2.gz KYDZRKFJSZLQCW-UHFFFAOYSA-N 1 2 395.301 2.840 20 30 GFEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000451893474 564363625 /nfs/dbraw/zinc/36/36/25/564363625.db2.gz QQFDXFRBVHLGAM-UDZFHETQSA-N 1 2 375.778 2.784 20 30 GFEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000451893474 564363628 /nfs/dbraw/zinc/36/36/28/564363628.db2.gz QQFDXFRBVHLGAM-UDZFHETQSA-N 1 2 375.778 2.784 20 30 GFEDLO N#Cc1ccc(OCC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)cc1Br ZINC000571254565 564542825 /nfs/dbraw/zinc/54/28/25/564542825.db2.gz ONUQOPBDWFOMRZ-CQSZACIVSA-N 1 2 389.253 2.587 20 30 GFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cc(Br)cc(Br)c1 ZINC000575185574 564693610 /nfs/dbraw/zinc/69/36/10/564693610.db2.gz CTFQZGVCGGTNSU-ZDUSSCGKSA-N 1 2 389.091 2.785 20 30 GFEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)C1=O ZINC000499938591 564941124 /nfs/dbraw/zinc/94/11/24/564941124.db2.gz JXROWOCVMNWMEL-JKSUJKDBSA-N 1 2 382.291 2.817 20 30 GFEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)C1=O ZINC000499938591 564941126 /nfs/dbraw/zinc/94/11/26/564941126.db2.gz JXROWOCVMNWMEL-JKSUJKDBSA-N 1 2 382.291 2.817 20 30 GFEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](S(C)(=O)=O)CC1 ZINC000502841418 565006911 /nfs/dbraw/zinc/00/69/11/565006911.db2.gz JFOVLQMDEQHXLA-NVXWUHKLSA-N 1 2 384.567 2.550 20 30 GFEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCC[C@@H](S(C)(=O)=O)CC1 ZINC000502841418 565006913 /nfs/dbraw/zinc/00/69/13/565006913.db2.gz JFOVLQMDEQHXLA-NVXWUHKLSA-N 1 2 384.567 2.550 20 30 GFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCC[C@@H](S(C)(=O)=O)CC1 ZINC000502841415 565007037 /nfs/dbraw/zinc/00/70/37/565007037.db2.gz JFOVLQMDEQHXLA-DOTOQJQBSA-N 1 2 384.567 2.550 20 30 GFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCC[C@@H](S(C)(=O)=O)CC1 ZINC000502841415 565007038 /nfs/dbraw/zinc/00/70/38/565007038.db2.gz JFOVLQMDEQHXLA-DOTOQJQBSA-N 1 2 384.567 2.550 20 30 GFEDLO COC(=O)c1cc(C[NH+]2CCN(c3snc(C)c3C#N)CC2)c(C)s1 ZINC000562052117 565016067 /nfs/dbraw/zinc/01/60/67/565016067.db2.gz GBFLSBWYWYZVEH-UHFFFAOYSA-N 1 2 376.507 2.802 20 30 GFEDLO CC[NH+]1CCN(c2ccccc2NS(=O)(=O)c2ccsc2C#N)CC1 ZINC000593529913 565337462 /nfs/dbraw/zinc/33/74/62/565337462.db2.gz HNXCAKNUDDIXQW-UHFFFAOYSA-N 1 2 376.507 2.562 20 30 GFEDLO CC#CC[NH2+]Cc1cn(Cc2nnc(-c3c(Cl)cccc3Cl)o2)nn1 ZINC000641023037 565342176 /nfs/dbraw/zinc/34/21/76/565342176.db2.gz PZPHLQJHSTYYEG-UHFFFAOYSA-N 1 2 377.235 2.796 20 30 GFEDLO Cc1cc(Br)cn2cc(CNC(=O)N3CC[C@@](C)(C#N)C3)[nH+]c12 ZINC000596565323 565527406 /nfs/dbraw/zinc/52/74/06/565527406.db2.gz FWCIMNQMCBXNNO-INIZCTEOSA-N 1 2 376.258 2.850 20 30 GFEDLO N#CCc1cccc2c1CC[N@@H+](Cc1cc(Cl)cc(S(N)(=O)=O)c1)C2 ZINC000599679108 565696207 /nfs/dbraw/zinc/69/62/07/565696207.db2.gz WFEJBCGIGVUITN-UHFFFAOYSA-N 1 2 375.881 2.612 20 30 GFEDLO N#CCc1cccc2c1CC[N@H+](Cc1cc(Cl)cc(S(N)(=O)=O)c1)C2 ZINC000599679108 565696210 /nfs/dbraw/zinc/69/62/10/565696210.db2.gz WFEJBCGIGVUITN-UHFFFAOYSA-N 1 2 375.881 2.612 20 30 GFEDLO C[N@H+](CCC#N)C[C@H](O)COc1cccc(OC(F)(F)F)c1Br ZINC000601961898 565810798 /nfs/dbraw/zinc/81/07/98/565810798.db2.gz BRSSYVNECZGITO-JTQLQIEISA-N 1 2 397.191 2.933 20 30 GFEDLO C[N@@H+](CCC#N)C[C@H](O)COc1cccc(OC(F)(F)F)c1Br ZINC000601961898 565810802 /nfs/dbraw/zinc/81/08/02/565810802.db2.gz BRSSYVNECZGITO-JTQLQIEISA-N 1 2 397.191 2.933 20 30 GFEDLO COc1nsc(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c1Br ZINC000602674449 565862487 /nfs/dbraw/zinc/86/24/87/565862487.db2.gz XTDBERCINZDUKZ-NSHDSACASA-N 1 2 395.282 2.834 20 30 GFEDLO COc1nsc(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c1Br ZINC000602674449 565862491 /nfs/dbraw/zinc/86/24/91/565862491.db2.gz XTDBERCINZDUKZ-NSHDSACASA-N 1 2 395.282 2.834 20 30 GFEDLO CC[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)o2)[C@@H](CC)CN1Cc1ccc(C#N)o1 ZINC000825212938 608856849 /nfs/dbraw/zinc/85/68/49/608856849.db2.gz VADHXQKPTCPUJS-CABCVRRESA-N 1 2 395.467 2.799 20 30 GFEDLO CC[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)o2)[C@@H](CC)CN1Cc1ccc(C#N)o1 ZINC000825212938 608856851 /nfs/dbraw/zinc/85/68/51/608856851.db2.gz VADHXQKPTCPUJS-CABCVRRESA-N 1 2 395.467 2.799 20 30 GFEDLO N#Cc1cccc(-c2c[nH]c(CNc3c(-c4nn[nH]n4)c[nH+]c4ccccc43)n2)c1 ZINC000826386490 609167007 /nfs/dbraw/zinc/16/70/07/609167007.db2.gz HKAMWNHDQGXODB-UHFFFAOYSA-N 1 2 393.414 2.711 20 30 GFEDLO C#C[C@H](NC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1)c1ccc(Br)cc1 ZINC000836317891 660899516 /nfs/dbraw/zinc/89/95/16/660899516.db2.gz JIAJKRDAWYYPNR-CPUCHLNUSA-N 1 2 394.313 2.532 20 30 GFEDLO O=S(=O)(NC1CC[NH+](CC#Cc2ccc(F)cc2)CC1)c1cccs1 ZINC000178532064 655304162 /nfs/dbraw/zinc/30/41/62/655304162.db2.gz ILUKJZAYSXYFBH-UHFFFAOYSA-N 1 2 378.494 2.682 20 30 GFEDLO C#CCNC(=O)C1CC[NH+]([C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)CC1 ZINC000747824742 655783936 /nfs/dbraw/zinc/78/39/36/655783936.db2.gz RBKWWYKBHGLBFY-LBPRGKRZSA-N 1 2 382.291 2.782 20 30 GFEDLO Cc1nn(C)c(N2CCOCC2)c1C=[NH+]Nc1ccc(Br)cc1 ZINC000755631743 655886545 /nfs/dbraw/zinc/88/65/45/655886545.db2.gz OUQXRCUDACRFRR-UHFFFAOYSA-N 1 2 378.274 2.774 20 30 GFEDLO C[C@@H](OC(=O)C[N@H+](C)[C@@H]1CCSC1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000772046208 656371167 /nfs/dbraw/zinc/37/11/67/656371167.db2.gz GVXIZDODIXRMNX-BXUZGUMPSA-N 1 2 381.885 2.519 20 30 GFEDLO C[C@@H](OC(=O)C[N@@H+](C)[C@@H]1CCSC1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000772046208 656371170 /nfs/dbraw/zinc/37/11/70/656371170.db2.gz GVXIZDODIXRMNX-BXUZGUMPSA-N 1 2 381.885 2.519 20 30 GFEDLO CC(C)N(CC(F)(F)F)C(=O)CO[NH+]=C(N)c1ccc(Br)cc1 ZINC000782949035 657196075 /nfs/dbraw/zinc/19/60/75/657196075.db2.gz PKQLPWQEAJIJCQ-UHFFFAOYSA-N 1 2 396.207 2.885 20 30 GFEDLO CCS(=O)(=O)CCCCCO[NH+]=C(N)c1ccc(Br)cc1 ZINC000788788166 657785400 /nfs/dbraw/zinc/78/54/00/657785400.db2.gz RZRFFBIZADGMDA-UHFFFAOYSA-N 1 2 377.304 2.691 20 30 GFEDLO Cc1ccnc(C[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1Br ZINC000865542847 662428175 /nfs/dbraw/zinc/42/81/75/662428175.db2.gz YETYFYDGMRIIBI-INIZCTEOSA-N 1 2 399.292 2.915 20 30 GFEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(Cc1ccc(Br)cc1)C(C)C ZINC000884080461 663064688 /nfs/dbraw/zinc/06/46/88/663064688.db2.gz XDGDAFZSYAJNCF-HNNXBMFYSA-N 1 2 383.286 2.633 20 30 GFEDLO Cc1nnc(CC[NH+]2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)o1 ZINC000930150549 664763474 /nfs/dbraw/zinc/76/34/74/664763474.db2.gz MTFQWECEJFMSIX-INIZCTEOSA-N 1 2 390.285 2.566 20 30 GFEDLO C[C@H](C(=O)NC1CC1)[NH+]1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932944065 664843853 /nfs/dbraw/zinc/84/38/53/664843853.db2.gz BUBUYTHKRACLJY-FTLITQJKSA-N 1 2 380.279 2.756 20 30 GFEDLO COc1ccnc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)c1C#N ZINC001164673846 719503420 /nfs/dbraw/zinc/50/34/20/719503420.db2.gz SHDHKPOAHBHZPA-UHFFFAOYSA-N 1 2 396.466 2.972 20 30 GFEDLO COc1ccnc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)c1C#N ZINC001164673846 719503430 /nfs/dbraw/zinc/50/34/30/719503430.db2.gz SHDHKPOAHBHZPA-UHFFFAOYSA-N 1 2 396.466 2.972 20 30 GFEDLO C[C@@H](C(=O)Nc1cccnc1Cl)[N@@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000064633280 209189620 /nfs/dbraw/zinc/18/96/20/209189620.db2.gz ZPOVOFONJMRVDE-AWEZNQCLSA-N 1 2 384.871 2.541 20 30 GFEDLO C[C@@H](C(=O)Nc1cccnc1Cl)[N@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000064633280 209189625 /nfs/dbraw/zinc/18/96/25/209189625.db2.gz ZPOVOFONJMRVDE-AWEZNQCLSA-N 1 2 384.871 2.541 20 30 GFEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2CCC[C@H]2C(=O)N(C)C)c1C#N ZINC000022014735 209174845 /nfs/dbraw/zinc/17/48/45/209174845.db2.gz PBWQKRZVLRUNPW-IBGZPJMESA-N 1 2 399.539 2.973 20 30 GFEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2CCC[C@H]2C(=O)N(C)C)c1C#N ZINC000022014735 209174850 /nfs/dbraw/zinc/17/48/50/209174850.db2.gz PBWQKRZVLRUNPW-IBGZPJMESA-N 1 2 399.539 2.973 20 30 GFEDLO Cn1cc(Br)cc1C[N@H+](C)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000151510435 551414854 /nfs/dbraw/zinc/41/48/54/551414854.db2.gz CUUKCJDECHJBQL-KRWDZBQOSA-N 1 2 387.281 2.897 20 30 GFEDLO Cn1cc(Br)cc1C[N@@H+](C)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000151510435 551414858 /nfs/dbraw/zinc/41/48/58/551414858.db2.gz CUUKCJDECHJBQL-KRWDZBQOSA-N 1 2 387.281 2.897 20 30 GFEDLO Cn1cc(Br)cc1C[N@H+](C)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000151545443 551416118 /nfs/dbraw/zinc/41/61/18/551416118.db2.gz JDXUUDUKYWNXGT-CQSZACIVSA-N 1 2 393.310 2.958 20 30 GFEDLO Cn1cc(Br)cc1C[N@@H+](C)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000151545443 551416119 /nfs/dbraw/zinc/41/61/19/551416119.db2.gz JDXUUDUKYWNXGT-CQSZACIVSA-N 1 2 393.310 2.958 20 30 GFEDLO Cc1ccc(C#N)cc1S(=O)(=O)NC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000172179274 551672624 /nfs/dbraw/zinc/67/26/24/551672624.db2.gz SDXKOGDKLONIQK-CQSZACIVSA-N 1 2 375.519 2.653 20 30 GFEDLO Cc1ccc(C#N)cc1S(=O)(=O)NC[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000172179274 551672626 /nfs/dbraw/zinc/67/26/26/551672626.db2.gz SDXKOGDKLONIQK-CQSZACIVSA-N 1 2 375.519 2.653 20 30 GFEDLO Cn1cc(C[NH+]2CCN(C(=O)c3ccc(Br)cc3)CC2)cc1C#N ZINC000191286788 552523660 /nfs/dbraw/zinc/52/36/60/552523660.db2.gz KXZNYXFAOOQLPF-UHFFFAOYSA-N 1 2 387.281 2.617 20 30 GFEDLO C[N@@H+]1CCN(S(=O)(=O)c2ccc(C#N)cc2Cl)[C@@H](c2ccccc2)C1 ZINC000245698997 553095306 /nfs/dbraw/zinc/09/53/06/553095306.db2.gz LKODGGFTPKWVCL-QGZVFWFLSA-N 1 2 375.881 2.889 20 30 GFEDLO C[N@H+]1CCN(S(=O)(=O)c2ccc(C#N)cc2Cl)[C@@H](c2ccccc2)C1 ZINC000245698997 553095309 /nfs/dbraw/zinc/09/53/09/553095309.db2.gz LKODGGFTPKWVCL-QGZVFWFLSA-N 1 2 375.881 2.889 20 30 GFEDLO C=CCSCCNC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000245722148 553095720 /nfs/dbraw/zinc/09/57/20/553095720.db2.gz HRWAUXYSFJOTMN-IRXDYDNUSA-N 1 2 383.945 2.930 20 30 GFEDLO C=CCSCCNC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000245722148 553095723 /nfs/dbraw/zinc/09/57/23/553095723.db2.gz HRWAUXYSFJOTMN-IRXDYDNUSA-N 1 2 383.945 2.930 20 30 GFEDLO N#Cc1ncn(C2CC[NH+](CC(=O)Nc3cc(Cl)ccc3Cl)CC2)n1 ZINC000369390072 563213003 /nfs/dbraw/zinc/21/30/03/563213003.db2.gz WDINEMLSEAMPPY-UHFFFAOYSA-N 1 2 379.251 2.732 20 30 GFEDLO N#Cc1ccc(S(=O)(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1Br ZINC000278937152 563276702 /nfs/dbraw/zinc/27/67/02/563276702.db2.gz XYDAKFDEDQXWBT-GFCCVEGCSA-N 1 2 395.282 2.612 20 30 GFEDLO C[N@@H+](Cc1ccc(C#N)cc1Br)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000296740013 563299748 /nfs/dbraw/zinc/29/97/48/563299748.db2.gz OIVKTUFLHOGMOY-AWEZNQCLSA-N 1 2 398.301 2.638 20 30 GFEDLO C[N@H+](Cc1ccc(C#N)cc1Br)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000296740013 563299752 /nfs/dbraw/zinc/29/97/52/563299752.db2.gz OIVKTUFLHOGMOY-AWEZNQCLSA-N 1 2 398.301 2.638 20 30 GFEDLO N#Cc1cc(Br)ccc1N1CC[NH+]([C@@H](C(N)=O)c2ccccc2)CC1 ZINC000301487901 563405289 /nfs/dbraw/zinc/40/52/89/563405289.db2.gz ZDLNEYGXGROVTB-GOSISDBHSA-N 1 2 399.292 2.669 20 30 GFEDLO CS(=O)(=O)N(Cc1cn2c([nH+]1)CCCC2)Cc1ccc(Cl)cc1C#N ZINC000332275747 563589849 /nfs/dbraw/zinc/58/98/49/563589849.db2.gz HDCGJZNEUVSCDX-UHFFFAOYSA-N 1 2 378.885 2.706 20 30 GFEDLO C=CC[N@H+](Cc1cc(Br)ccc1F)[C@H](C)C(=O)NC(=O)NCC ZINC000435677767 563656203 /nfs/dbraw/zinc/65/62/03/563656203.db2.gz JKXDZPZYCHZEDK-LLVKDONJSA-N 1 2 386.265 2.810 20 30 GFEDLO C=CC[N@@H+](Cc1cc(Br)ccc1F)[C@H](C)C(=O)NC(=O)NCC ZINC000435677767 563656207 /nfs/dbraw/zinc/65/62/07/563656207.db2.gz JKXDZPZYCHZEDK-LLVKDONJSA-N 1 2 386.265 2.810 20 30 GFEDLO C[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)c1nc(C(F)(F)F)cs1 ZINC000289581594 563679277 /nfs/dbraw/zinc/67/92/77/563679277.db2.gz ZCHXZQOJOSKVDQ-VIFPVBQESA-N 1 2 390.412 2.553 20 30 GFEDLO N#Cc1ccccc1S(=O)(=O)N1CC[NH+](CCCCC(F)(F)F)CC1 ZINC000443635815 563808460 /nfs/dbraw/zinc/80/84/60/563808460.db2.gz ZRTMBLWVGXZIKI-UHFFFAOYSA-N 1 2 375.416 2.597 20 30 GFEDLO C[C@@H](CCC#N)[NH+]1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000472764289 564232445 /nfs/dbraw/zinc/23/24/45/564232445.db2.gz BYKKDOIBDMDMKI-LBPRGKRZSA-N 1 2 376.309 2.992 20 30 GFEDLO N#CC[C@@H](O)CSc1nnc(C[NH+]2CCCC2)n1-c1ccc(Cl)cc1 ZINC000450612301 564241023 /nfs/dbraw/zinc/24/10/23/564241023.db2.gz KGSWGOTWCVVAMA-OAHLLOKOSA-N 1 2 377.901 2.883 20 30 GFEDLO CC(C)[C@@H](NC(=O)COc1cccc(Br)c1C#N)c1[nH]cc[nH+]1 ZINC000451104182 564275065 /nfs/dbraw/zinc/27/50/65/564275065.db2.gz QBRVWQMEOVKSRC-OAHLLOKOSA-N 1 2 377.242 2.936 20 30 GFEDLO C[N@H+](Cc1ccccc1)C1CN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)C1 ZINC000510524877 564336703 /nfs/dbraw/zinc/33/67/03/564336703.db2.gz RMCRBJRALUVWFL-UHFFFAOYSA-N 1 2 375.881 2.717 20 30 GFEDLO C[N@@H+](Cc1ccccc1)C1CN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)C1 ZINC000510524877 564336705 /nfs/dbraw/zinc/33/67/05/564336705.db2.gz RMCRBJRALUVWFL-UHFFFAOYSA-N 1 2 375.881 2.717 20 30 GFEDLO Cc1cc(Br)cn2cc(CNc3nc4c(cc3C#N)COCC4)[nH+]c12 ZINC000566778136 564343014 /nfs/dbraw/zinc/34/30/14/564343014.db2.gz DNASMYGGHROSHH-UHFFFAOYSA-N 1 2 398.264 2.779 20 30 GFEDLO CC(C)(C)[N@@H+]1CCc2nc(NS(=O)(=O)c3ccc(C#N)cc3)sc2C1 ZINC000567661874 564381217 /nfs/dbraw/zinc/38/12/17/564381217.db2.gz JJLIIPNMCPGWIN-UHFFFAOYSA-N 1 2 376.507 2.972 20 30 GFEDLO CC(C)(C)[N@H+]1CCc2nc(NS(=O)(=O)c3ccc(C#N)cc3)sc2C1 ZINC000567661874 564381224 /nfs/dbraw/zinc/38/12/24/564381224.db2.gz JJLIIPNMCPGWIN-UHFFFAOYSA-N 1 2 376.507 2.972 20 30 GFEDLO CN(CCOc1ccc(Br)cc1)C(=O)C[N@H+](CCC#N)CC1CC1 ZINC000478019117 564393372 /nfs/dbraw/zinc/39/33/72/564393372.db2.gz RRMLVTCVZUICPY-UHFFFAOYSA-N 1 2 394.313 2.912 20 30 GFEDLO CN(CCOc1ccc(Br)cc1)C(=O)C[N@@H+](CCC#N)CC1CC1 ZINC000478019117 564393375 /nfs/dbraw/zinc/39/33/75/564393375.db2.gz RRMLVTCVZUICPY-UHFFFAOYSA-N 1 2 394.313 2.912 20 30 GFEDLO C=CC[NH+](CC=C)[C@@H](C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000569132116 564450915 /nfs/dbraw/zinc/45/09/15/564450915.db2.gz SNSDZRBIXTVTTC-ZDUSSCGKSA-N 1 2 385.917 2.591 20 30 GFEDLO Cc1nccc(C[NH+]2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)n1 ZINC000482817372 564551066 /nfs/dbraw/zinc/55/10/66/564551066.db2.gz FMAVJAGQBRPEIJ-GOSISDBHSA-N 1 2 386.297 2.930 20 30 GFEDLO Cc1cc(Br)cn2cc(CCNC(=O)NCC3(C#N)CC3)[nH+]c12 ZINC000576295454 564712354 /nfs/dbraw/zinc/71/23/54/564712354.db2.gz ZJXRJMMJRFVLPV-UHFFFAOYSA-N 1 2 376.258 2.551 20 30 GFEDLO C[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)c1nc(C(C)(C)C)cs1 ZINC000576784444 564719121 /nfs/dbraw/zinc/71/91/21/564719121.db2.gz CTQUNPUBEDEMQK-LBPRGKRZSA-N 1 2 378.523 2.832 20 30 GFEDLO N#CC1(C[C@@H](O)C[NH+]2CCN(C(=O)c3cc4sccc4s3)CC2)CC1 ZINC000528405680 564782296 /nfs/dbraw/zinc/78/22/96/564782296.db2.gz ULFZGOJRHHSSHC-CYBMUJFWSA-N 1 2 375.519 2.775 20 30 GFEDLO Cc1cc(Br)cn2cc(CNC(=O)N[C@H]3CCC[C@H]3C#N)[nH+]c12 ZINC000461936178 564809249 /nfs/dbraw/zinc/80/92/49/564809249.db2.gz MJIBZZUKSZSHDS-FZMZJTMJSA-N 1 2 376.258 2.897 20 30 GFEDLO COC(=O)C[N@@H+]1CCC[C@H](CNc2cc(Br)c(C#N)cc2F)C1 ZINC000583094499 564875359 /nfs/dbraw/zinc/87/53/59/564875359.db2.gz NAQXIKPGKHPEHG-LLVKDONJSA-N 1 2 384.249 2.757 20 30 GFEDLO COC(=O)C[N@H+]1CCC[C@H](CNc2cc(Br)c(C#N)cc2F)C1 ZINC000583094499 564875361 /nfs/dbraw/zinc/87/53/61/564875361.db2.gz NAQXIKPGKHPEHG-LLVKDONJSA-N 1 2 384.249 2.757 20 30 GFEDLO Cc1cnc(C[NH+]2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)cn1 ZINC000501033237 564967867 /nfs/dbraw/zinc/96/78/67/564967867.db2.gz RSJNUUNLTDHCHP-SFHVURJKSA-N 1 2 386.297 2.930 20 30 GFEDLO Cc1nn(C)c(N2CC[NH+](Cc3ccc(Br)c(C)c3)CC2)c1C#N ZINC000501901352 564988101 /nfs/dbraw/zinc/98/81/01/564988101.db2.gz SGBZSHHMEDZUNV-UHFFFAOYSA-N 1 2 388.313 2.993 20 30 GFEDLO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CCSC[C@H]2CCO)ccc1Cl ZINC000470211421 565041769 /nfs/dbraw/zinc/04/17/69/565041769.db2.gz ZZAMTHLFRDPIGB-MRXNPFEDSA-N 1 2 381.929 2.695 20 30 GFEDLO Cc1cc(N(CCC#N)C(=O)C[N@H+]2CCSC[C@H]2CCO)ccc1Cl ZINC000470211421 565041773 /nfs/dbraw/zinc/04/17/73/565041773.db2.gz ZZAMTHLFRDPIGB-MRXNPFEDSA-N 1 2 381.929 2.695 20 30 GFEDLO N#Cc1ccc(-c2ccc(S(=O)(=O)CC[NH+]3CCC(O)CC3)cc2)s1 ZINC000592989720 565305478 /nfs/dbraw/zinc/30/54/78/565305478.db2.gz YEGMLEOHCDMDMA-UHFFFAOYSA-N 1 2 376.503 2.517 20 30 GFEDLO C=CCN1CC[C@@H]([N@H+]2CCO[C@H](c3ccc(Br)cc3)[C@H]2C)C1=O ZINC000661517091 565327231 /nfs/dbraw/zinc/32/72/31/565327231.db2.gz SVHHFYWQYLLLJH-XYPHTWIQSA-N 1 2 379.298 2.998 20 30 GFEDLO C=CCN1CC[C@@H]([N@@H+]2CCO[C@H](c3ccc(Br)cc3)[C@H]2C)C1=O ZINC000661517091 565327233 /nfs/dbraw/zinc/32/72/33/565327233.db2.gz SVHHFYWQYLLLJH-XYPHTWIQSA-N 1 2 379.298 2.998 20 30 GFEDLO N#Cc1cc(Br)ccc1CC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000593390991 565328660 /nfs/dbraw/zinc/32/86/60/565328660.db2.gz IQYVUNGVJAYUMX-UHFFFAOYSA-N 1 2 399.292 2.603 20 30 GFEDLO CC#CC[NH2+]Cc1cn(Cc2cccc(Br)c2OC(F)F)nn1 ZINC000641122182 565348739 /nfs/dbraw/zinc/34/87/39/565348739.db2.gz AOUPBJUFCFWXDW-UHFFFAOYSA-N 1 2 385.212 2.803 20 30 GFEDLO C[C@@H](CNC(=O)c1ccc(Br)cc1C#N)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594098164 565375362 /nfs/dbraw/zinc/37/53/62/565375362.db2.gz FOAILVUGTZIURT-RWMBFGLXSA-N 1 2 380.286 2.548 20 30 GFEDLO C[C@@H](CNC(=O)c1ccc(Br)cc1C#N)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594098164 565375364 /nfs/dbraw/zinc/37/53/64/565375364.db2.gz FOAILVUGTZIURT-RWMBFGLXSA-N 1 2 380.286 2.548 20 30 GFEDLO N#Cc1cc(S(=O)(=O)NC[C@H]2CC[N@@H+]2Cc2ccccc2)ccc1Cl ZINC000595395175 565472398 /nfs/dbraw/zinc/47/23/98/565472398.db2.gz KOCJUJVHICAHNU-MRXNPFEDSA-N 1 2 375.881 2.764 20 30 GFEDLO N#Cc1cc(S(=O)(=O)NC[C@H]2CC[N@H+]2Cc2ccccc2)ccc1Cl ZINC000595395175 565472402 /nfs/dbraw/zinc/47/24/02/565472402.db2.gz KOCJUJVHICAHNU-MRXNPFEDSA-N 1 2 375.881 2.764 20 30 GFEDLO C[NH+](C)c1ccc(N2CCC(N=NCc3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000821589337 607253467 /nfs/dbraw/zinc/25/34/67/607253467.db2.gz JVJMQHSWOBSDPK-UHFFFAOYSA-N 1 2 390.495 2.679 20 30 GFEDLO N#Cc1cccc([C@H]2C[N@H+](CCCOc3ccc(-c4nn[nH]n4)cc3)CCO2)c1 ZINC000826386654 608071074 /nfs/dbraw/zinc/07/10/74/608071074.db2.gz NHDDVGOISBISFV-HXUWFJFHSA-N 1 2 390.447 2.581 20 30 GFEDLO N#Cc1cccc([C@H]2C[N@@H+](CCCOc3ccc(-c4nn[nH]n4)cc3)CCO2)c1 ZINC000826386654 608071075 /nfs/dbraw/zinc/07/10/75/608071075.db2.gz NHDDVGOISBISFV-HXUWFJFHSA-N 1 2 390.447 2.581 20 30 GFEDLO C=CC[N@@H+](CC(=O)Nc1c(-c2nn[nH]n2)c(C)c(C)n1-c1ccccc1)C1CC1 ZINC000823904278 608266640 /nfs/dbraw/zinc/26/66/40/608266640.db2.gz ZEXMPAQGKPAYFC-UHFFFAOYSA-N 1 2 391.479 2.863 20 30 GFEDLO C=CC[N@H+](CC(=O)Nc1c(-c2nn[nH]n2)c(C)c(C)n1-c1ccccc1)C1CC1 ZINC000823904278 608266642 /nfs/dbraw/zinc/26/66/42/608266642.db2.gz ZEXMPAQGKPAYFC-UHFFFAOYSA-N 1 2 391.479 2.863 20 30 GFEDLO Cn1cc(C=NNc2cc[nH+]c3ccccc23)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826360559 609306796 /nfs/dbraw/zinc/30/67/96/609306796.db2.gz PIAXAPRSVPFMOW-UHFFFAOYSA-N 1 2 395.430 2.683 20 30 GFEDLO C=CCn1c(=O)c2c3c(sc2nc1SCC[NH+]1CCOCC1)CCC3 ZINC000024464437 654544203 /nfs/dbraw/zinc/54/42/03/654544203.db2.gz RIBKHWYWYQYACR-UHFFFAOYSA-N 1 2 377.535 2.557 20 30 GFEDLO N#Cc1cc(Br)cc(S(=O)(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000268180156 654962168 /nfs/dbraw/zinc/96/21/68/654962168.db2.gz CGNGDYQBWMFUPM-UHFFFAOYSA-N 1 2 395.282 2.612 20 30 GFEDLO CC[N@H+](CC(=O)N1CCN([C@H](C#N)C(C)C)CC1)Cc1ccc(Cl)s1 ZINC000092616817 655014930 /nfs/dbraw/zinc/01/49/30/655014930.db2.gz RXDDBLMYYQOTDJ-MRXNPFEDSA-N 1 2 382.961 2.916 20 30 GFEDLO CC[N@@H+](CC(=O)N1CCN([C@H](C#N)C(C)C)CC1)Cc1ccc(Cl)s1 ZINC000092616817 655014932 /nfs/dbraw/zinc/01/49/32/655014932.db2.gz RXDDBLMYYQOTDJ-MRXNPFEDSA-N 1 2 382.961 2.916 20 30 GFEDLO C#Cc1ccc(C(=O)NCCc2cn3cc(Br)cc(C)c3[nH+]2)nc1 ZINC000754520379 655869155 /nfs/dbraw/zinc/86/91/55/655869155.db2.gz UQWXGZBNQAEJSV-UHFFFAOYSA-N 1 2 383.249 2.754 20 30 GFEDLO Cc1nn(C)c(N2CCOCC2)c1C=[NH+]Nc1cccc(Br)c1 ZINC000755624322 655886401 /nfs/dbraw/zinc/88/64/01/655886401.db2.gz IYSIGLQIQGWEGU-UHFFFAOYSA-N 1 2 378.274 2.774 20 30 GFEDLO C#CCOCCC(=O)N(CCCn1cc[nH+]c1)c1ccc(Br)cn1 ZINC000841349285 661254035 /nfs/dbraw/zinc/25/40/35/661254035.db2.gz WBALDRGXTYPQSI-UHFFFAOYSA-N 1 2 391.269 2.504 20 30 GFEDLO C#CCC[NH+]1CCN(C(=O)c2ccn(-c3ccc(Cl)cc3Cl)n2)CC1 ZINC000772633913 656384400 /nfs/dbraw/zinc/38/44/00/656384400.db2.gz QTBOXLBGVOWVNF-UHFFFAOYSA-N 1 2 377.275 2.960 20 30 GFEDLO C[NH+]1CCN(c2ccc(NC(=O)c3ccc(C#N)[nH]3)cc2Br)CC1 ZINC000787535634 657566929 /nfs/dbraw/zinc/56/69/29/657566929.db2.gz GURYGYBQHTUWJE-UHFFFAOYSA-N 1 2 388.269 2.653 20 30 GFEDLO C[C@H]1C(NNc2cc(Br)nc[nH+]2)=CC(=O)N1C(=O)OC(C)(C)C ZINC000872436203 662766077 /nfs/dbraw/zinc/76/60/77/662766077.db2.gz VDQPAHWXJUZYMY-QMMMGPOBSA-N 1 2 384.234 2.563 20 30 GFEDLO N#Cc1sc(NC(=O)NCc2cc[nH+]c(N3CCSCC3)c2)nc1Cl ZINC000888428260 663197363 /nfs/dbraw/zinc/19/73/63/663197363.db2.gz RUOPLFYHQBVKKR-UHFFFAOYSA-N 1 2 394.913 2.938 20 30 GFEDLO C#C[C@H](NC(=O)/C=C(\C)C[NH+]1CCOCC1)c1ccc(Br)cc1 ZINC000908518317 664111842 /nfs/dbraw/zinc/11/18/42/664111842.db2.gz ZJDHSSYYYQXGDO-VSOYFRJCSA-N 1 2 377.282 2.518 20 30 GFEDLO O=C(C[N@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)NCC1CC1 ZINC000932941195 664843486 /nfs/dbraw/zinc/84/34/86/664843486.db2.gz BFZQODFPEWUDEU-DTORHVGOSA-N 1 2 380.279 2.615 20 30 GFEDLO O=C(C[N@@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)NCC1CC1 ZINC000932941195 664843487 /nfs/dbraw/zinc/84/34/87/664843487.db2.gz BFZQODFPEWUDEU-DTORHVGOSA-N 1 2 380.279 2.615 20 30 GFEDLO Cc1nc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)cnc1C#N ZINC001164671718 719520199 /nfs/dbraw/zinc/52/01/99/719520199.db2.gz IWAQRRWXBOIXFW-UHFFFAOYSA-N 1 2 381.455 2.667 20 30 GFEDLO Cc1nc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)cnc1C#N ZINC001164671718 719520207 /nfs/dbraw/zinc/52/02/07/719520207.db2.gz IWAQRRWXBOIXFW-UHFFFAOYSA-N 1 2 381.455 2.667 20 30 GFEDLO CC(C)C(=O)N1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC1 ZINC000023778389 210453847 /nfs/dbraw/zinc/45/38/47/210453847.db2.gz NDTNUPLTSNZKMK-UHFFFAOYSA-N 1 2 388.537 2.627 20 30 GFEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000054339303 551168677 /nfs/dbraw/zinc/16/86/77/551168677.db2.gz XMKDXIBJGHPHSP-JQHSSLGASA-N 1 2 384.307 2.938 20 30 GFEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000054339303 551168680 /nfs/dbraw/zinc/16/86/80/551168680.db2.gz XMKDXIBJGHPHSP-JQHSSLGASA-N 1 2 384.307 2.938 20 30 GFEDLO N#CCCC[N@H+]1CCCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000121584597 551237886 /nfs/dbraw/zinc/23/78/86/551237886.db2.gz PIVWMPALUSWVHD-UHFFFAOYSA-N 1 2 392.344 2.511 20 30 GFEDLO N#CCCC[N@@H+]1CCCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000121584597 551237888 /nfs/dbraw/zinc/23/78/88/551237888.db2.gz PIVWMPALUSWVHD-UHFFFAOYSA-N 1 2 392.344 2.511 20 30 GFEDLO CC[N@@H+]1CCc2nc(NS(=O)(=O)c3ccc(C#N)c(Cl)c3)sc2C1 ZINC000171146972 551648726 /nfs/dbraw/zinc/64/87/26/551648726.db2.gz JRXPIJMZGIYKJC-UHFFFAOYSA-N 1 2 382.898 2.847 20 30 GFEDLO CC[N@H+]1CCc2nc(NS(=O)(=O)c3ccc(C#N)c(Cl)c3)sc2C1 ZINC000171146972 551648728 /nfs/dbraw/zinc/64/87/28/551648728.db2.gz JRXPIJMZGIYKJC-UHFFFAOYSA-N 1 2 382.898 2.847 20 30 GFEDLO N#Cc1cc(Cl)ccc1S(=O)(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000172954476 551690796 /nfs/dbraw/zinc/69/07/96/551690796.db2.gz IKQULMHLHZICSU-UHFFFAOYSA-N 1 2 375.881 2.718 20 30 GFEDLO Cn1cc[nH+]c1C[C@@H]1CCCN(S(=O)(=O)c2ccc(C#N)cc2Cl)C1 ZINC000180159868 552215688 /nfs/dbraw/zinc/21/56/88/552215688.db2.gz KYKAHXCJGBIMFY-AWEZNQCLSA-N 1 2 378.885 2.589 20 30 GFEDLO CN(CCC#N)C(=O)CC[N@@H+]1CCO[C@@H](c2ccc(F)c(Br)c2)C1 ZINC000185279365 552359626 /nfs/dbraw/zinc/35/96/26/552359626.db2.gz SAIPCLBZEXRJII-MRXNPFEDSA-N 1 2 398.276 2.724 20 30 GFEDLO CN(CCC#N)C(=O)CC[N@H+]1CCO[C@@H](c2ccc(F)c(Br)c2)C1 ZINC000185279365 552359628 /nfs/dbraw/zinc/35/96/28/552359628.db2.gz SAIPCLBZEXRJII-MRXNPFEDSA-N 1 2 398.276 2.724 20 30 GFEDLO Cn1cc[nH+]c1[C@H](NS(=O)(=O)c1ccc(C#N)s1)c1cccc(F)c1 ZINC000373822771 563352814 /nfs/dbraw/zinc/35/28/14/563352814.db2.gz LLOMMCXEVPLMTF-OAHLLOKOSA-N 1 2 376.438 2.560 20 30 GFEDLO COc1ccc(C[C@@H](CO)CNc2cc(C)[nH+]cc2C#N)cc1Br ZINC000425257485 563415473 /nfs/dbraw/zinc/41/54/73/563415473.db2.gz CRLXWBLIGIGEKH-CQSZACIVSA-N 1 2 390.281 2.718 20 30 GFEDLO CN1C[C@H](NC(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)CC1=O ZINC000328648784 563462344 /nfs/dbraw/zinc/46/23/44/563462344.db2.gz IHENTRZSEGGXRU-GDBMZVCRSA-N 1 2 380.286 2.773 20 30 GFEDLO O=C(NCc1[nH+]ccn1CC(F)(F)F)N[C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000330226161 563499225 /nfs/dbraw/zinc/49/92/25/563499225.db2.gz UHURRUYGKYIRFX-RISCZKNCSA-N 1 2 378.420 2.504 20 30 GFEDLO CCN(CCC#N)S(=O)(=O)NC[C@@H](c1ccccc1Cl)[NH+](CC)CC ZINC000409538093 563564343 /nfs/dbraw/zinc/56/43/43/563564343.db2.gz WCCOMLWTELWDPM-KRWDZBQOSA-N 1 2 386.949 2.793 20 30 GFEDLO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CC[S@@](=O)[C@H](C)C3)sc2C1 ZINC000332004609 563571112 /nfs/dbraw/zinc/57/11/12/563571112.db2.gz WQFGLABEEJARNU-FUIYZNBFSA-N 1 2 379.551 2.526 20 30 GFEDLO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CC[S@@](=O)[C@H](C)C3)sc2C1 ZINC000332004609 563571113 /nfs/dbraw/zinc/57/11/13/563571113.db2.gz WQFGLABEEJARNU-FUIYZNBFSA-N 1 2 379.551 2.526 20 30 GFEDLO N#Cc1ccc([C@@H]([NH2+][C@H]2CCOc3c(Br)cccc32)C(N)=O)cc1 ZINC000409855516 563572641 /nfs/dbraw/zinc/57/26/41/563572641.db2.gz MUKKOUYZEDRKES-JKSUJKDBSA-N 1 2 386.249 2.961 20 30 GFEDLO N#Cc1cc(Br)ccc1C[N@H+]1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC000287629847 563611444 /nfs/dbraw/zinc/61/14/44/563611444.db2.gz FQTYURPJGHVQDN-NSHDSACASA-N 1 2 390.203 2.821 20 30 GFEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC000287629847 563611446 /nfs/dbraw/zinc/61/14/46/563611446.db2.gz FQTYURPJGHVQDN-NSHDSACASA-N 1 2 390.203 2.821 20 30 GFEDLO C=CC[N@H+](Cc1cc(Br)ccc1F)[C@@H](C)C(=O)NC(=O)NCC ZINC000435677768 563656525 /nfs/dbraw/zinc/65/65/25/563656525.db2.gz JKXDZPZYCHZEDK-NSHDSACASA-N 1 2 386.265 2.810 20 30 GFEDLO C=CC[N@@H+](Cc1cc(Br)ccc1F)[C@@H](C)C(=O)NC(=O)NCC ZINC000435677768 563656527 /nfs/dbraw/zinc/65/65/27/563656527.db2.gz JKXDZPZYCHZEDK-NSHDSACASA-N 1 2 386.265 2.810 20 30 GFEDLO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH+]1CCC(F)(C#N)CC1 ZINC000449313971 564179648 /nfs/dbraw/zinc/17/96/48/564179648.db2.gz BLMCFFUXZXKKKV-GFCCVEGCSA-N 1 2 398.276 2.790 20 30 GFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc(I)cc1Cl ZINC000567392040 564370185 /nfs/dbraw/zinc/37/01/85/564370185.db2.gz BEWUXFQJAWRSEY-ZDUSSCGKSA-N 1 2 391.640 2.518 20 30 GFEDLO COC(=O)c1cccc(C[NH2+][C@H](CO)c2cccc(Br)c2)c1C#N ZINC000542913127 564331612 /nfs/dbraw/zinc/33/16/12/564331612.db2.gz FKSYWPLSSHJLRV-QGZVFWFLSA-N 1 2 389.249 2.931 20 30 GFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CSCc1ccc(Br)cc1F ZINC000566564657 564332274 /nfs/dbraw/zinc/33/22/74/564332274.db2.gz SJICTDGVESETOH-OAHLLOKOSA-N 1 2 388.306 2.781 20 30 GFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@@H]1C[C@@]12CCc1cc(Br)ccc12 ZINC000566917199 564350005 /nfs/dbraw/zinc/35/00/05/564350005.db2.gz AGXCKJIMSZUOBP-RYQLBKOJSA-N 1 2 376.298 2.613 20 30 GFEDLO Cn1cc(I)c(C[NH2+][C@@H]2CCc3ccc(C#N)cc32)n1 ZINC000453339393 564454161 /nfs/dbraw/zinc/45/41/61/564454161.db2.gz BKNSAAOUEHSJRS-CQSZACIVSA-N 1 2 378.217 2.673 20 30 GFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cc(Br)ccc1OC(F)F ZINC000570850067 564524617 /nfs/dbraw/zinc/52/46/17/564524617.db2.gz VVWFIDFNXZRMLK-CQSZACIVSA-N 1 2 376.201 2.624 20 30 GFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCOc1ccc(Cl)cc1Br ZINC000519543719 564580852 /nfs/dbraw/zinc/58/08/52/564580852.db2.gz NGOZRDSGSMSWOT-HNNXBMFYSA-N 1 2 388.693 2.831 20 30 GFEDLO N#CC1(C[C@@H](O)C[NH+]2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)CC1 ZINC000528355270 564780060 /nfs/dbraw/zinc/78/00/60/564780060.db2.gz UGASZHAEQAAZIY-CYBMUJFWSA-N 1 2 382.291 2.806 20 30 GFEDLO Cc1nsc(N2CC[NH+](CCOCC(F)(F)C(F)(F)F)CC2)c1C#N ZINC000581912890 564822833 /nfs/dbraw/zinc/82/28/33/564822833.db2.gz HGYJRPLHFZCEHH-UHFFFAOYSA-N 1 2 384.374 2.659 20 30 GFEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3ncc(Br)cc3F)C2)nc1 ZINC000529574969 564843319 /nfs/dbraw/zinc/84/33/19/564843319.db2.gz HDZBCNMGBRMFLF-CYBMUJFWSA-N 1 2 377.217 2.903 20 30 GFEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3ncc(Br)cc3F)C2)nc1 ZINC000529574969 564843320 /nfs/dbraw/zinc/84/33/20/564843320.db2.gz HDZBCNMGBRMFLF-CYBMUJFWSA-N 1 2 377.217 2.903 20 30 GFEDLO Cc1cnc(C[NH+]2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)cn1 ZINC000501033232 564967586 /nfs/dbraw/zinc/96/75/86/564967586.db2.gz RSJNUUNLTDHCHP-GOSISDBHSA-N 1 2 386.297 2.930 20 30 GFEDLO Cc1cc(Br)cn2cc(CCNC(=O)NCC(C)(C)C#N)[nH+]c12 ZINC000501921211 564988851 /nfs/dbraw/zinc/98/88/51/564988851.db2.gz VVZJVKUSLOHFMY-UHFFFAOYSA-N 1 2 378.274 2.797 20 30 GFEDLO Cc1cc(Br)cn2cc(CCNC(=O)c3cc(C#N)ccn3)[nH+]c12 ZINC000504878337 565045936 /nfs/dbraw/zinc/04/59/36/565045936.db2.gz BMIQGCNVOHEKRA-UHFFFAOYSA-N 1 2 384.237 2.644 20 30 GFEDLO CC[C@H](NC(=O)C1CN(c2ccc(Br)cc2C#N)C1)c1[nH]cc[nH+]1 ZINC000592788175 565295859 /nfs/dbraw/zinc/29/58/59/565295859.db2.gz NQXDNPARLTUCPJ-AWEZNQCLSA-N 1 2 388.269 2.748 20 30 GFEDLO N#Cc1sccc1S(=O)(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000593532336 565338388 /nfs/dbraw/zinc/33/83/88/565338388.db2.gz NZHHBYLJEHUMCP-UHFFFAOYSA-N 1 2 376.507 2.874 20 30 GFEDLO C[N@@H+]1CC[C@H](NS(=O)(=O)c2ccsc2C#N)[C@@H]1c1ccc(Cl)cc1 ZINC000593571539 565343036 /nfs/dbraw/zinc/34/30/36/565343036.db2.gz UTQWTGWUUZKORU-BBRMVZONSA-N 1 2 381.910 2.997 20 30 GFEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)nn1 ZINC000641109215 565346235 /nfs/dbraw/zinc/34/62/35/565346235.db2.gz QZLFUXFIIZTMHQ-INIZCTEOSA-N 1 2 378.263 2.676 20 30 GFEDLO N#Cc1cc(S(=O)(=O)NC[C@@H]2CC[N@@H+]2Cc2ccccc2)ccc1Cl ZINC000595395174 565472451 /nfs/dbraw/zinc/47/24/51/565472451.db2.gz KOCJUJVHICAHNU-INIZCTEOSA-N 1 2 375.881 2.764 20 30 GFEDLO N#Cc1cc(S(=O)(=O)NC[C@@H]2CC[N@H+]2Cc2ccccc2)ccc1Cl ZINC000595395174 565472454 /nfs/dbraw/zinc/47/24/54/565472454.db2.gz KOCJUJVHICAHNU-INIZCTEOSA-N 1 2 375.881 2.764 20 30 GFEDLO C[N@@H+](Cc1cn(-c2cccc(Br)c2)nn1)C[C@H](O)CC(C)(C)C#N ZINC000598609625 565628690 /nfs/dbraw/zinc/62/86/90/565628690.db2.gz BOXXRXYEVJTXAZ-MRXNPFEDSA-N 1 2 392.301 2.762 20 30 GFEDLO C[N@H+](Cc1cn(-c2cccc(Br)c2)nn1)C[C@H](O)CC(C)(C)C#N ZINC000598609625 565628695 /nfs/dbraw/zinc/62/86/95/565628695.db2.gz BOXXRXYEVJTXAZ-MRXNPFEDSA-N 1 2 392.301 2.762 20 30 GFEDLO N#CC1(C[C@H](O)C[N@@H+]2CCOc3cc(Br)ccc3C2)CCOCC1 ZINC000599481287 565683416 /nfs/dbraw/zinc/68/34/16/565683416.db2.gz JGPAJCBKNDEBFO-INIZCTEOSA-N 1 2 395.297 2.715 20 30 GFEDLO N#CC1(C[C@H](O)C[N@H+]2CCOc3cc(Br)ccc3C2)CCOCC1 ZINC000599481287 565683421 /nfs/dbraw/zinc/68/34/21/565683421.db2.gz JGPAJCBKNDEBFO-INIZCTEOSA-N 1 2 395.297 2.715 20 30 GFEDLO C[C@@H]1C[N@@H+](Cc2nnc(-c3ccccc3Br)o2)C[C@H](C)N1CC#N ZINC000602854924 565870344 /nfs/dbraw/zinc/87/03/44/565870344.db2.gz FEAMNZPDBWPLIT-BETUJISGSA-N 1 2 390.285 2.917 20 30 GFEDLO C[C@@H]1C[N@H+](Cc2nnc(-c3ccccc3Br)o2)C[C@H](C)N1CC#N ZINC000602854924 565870349 /nfs/dbraw/zinc/87/03/49/565870349.db2.gz FEAMNZPDBWPLIT-BETUJISGSA-N 1 2 390.285 2.917 20 30 GFEDLO N#Cc1ccc(S(=O)(=O)CC[NH+]2CCC(Cc3nccs3)CC2)cc1 ZINC000602955975 565877205 /nfs/dbraw/zinc/87/72/05/565877205.db2.gz NBIVYFOUDUJBBD-UHFFFAOYSA-N 1 2 375.519 2.743 20 30 GFEDLO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(C#N)cc1F)c1ccccc1Cl ZINC000610081443 566064626 /nfs/dbraw/zinc/06/46/26/566064626.db2.gz TUDSBJREFDDVAE-MRXNPFEDSA-N 1 2 381.860 2.932 20 30 GFEDLO N#Cc1cc(F)ccc1C[NH+]1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000737706664 598250671 /nfs/dbraw/zinc/25/06/71/598250671.db2.gz XWQUPFLGWYCERD-UHFFFAOYSA-N 1 2 378.411 2.921 20 30 GFEDLO CC1(C)CN(Cc2cccc(-c3nn[nH]n3)c2)CC[N@@H+]1Cc1cccc(C#N)c1 ZINC000820601069 606086925 /nfs/dbraw/zinc/08/69/25/606086925.db2.gz BCFHRKMEMJEABR-UHFFFAOYSA-N 1 2 387.491 2.835 20 30 GFEDLO CC1(C)CN(Cc2cccc(-c3nn[nH]n3)c2)CC[N@H+]1Cc1cccc(C#N)c1 ZINC000820601069 606086928 /nfs/dbraw/zinc/08/69/28/606086928.db2.gz BCFHRKMEMJEABR-UHFFFAOYSA-N 1 2 387.491 2.835 20 30 GFEDLO C#CC[N@@H+](CC/C=C/c1ccc(Br)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000117339329 655264455 /nfs/dbraw/zinc/26/44/55/655264455.db2.gz IREBBBXXZJKWGQ-RCFWFJCLSA-N 1 2 382.323 2.975 20 30 GFEDLO C#CC[N@H+](CC/C=C/c1ccc(Br)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000117339329 655264458 /nfs/dbraw/zinc/26/44/58/655264458.db2.gz IREBBBXXZJKWGQ-RCFWFJCLSA-N 1 2 382.323 2.975 20 30 GFEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cccc(Br)c1O ZINC000180588222 655328494 /nfs/dbraw/zinc/32/84/94/655328494.db2.gz KMCJHLSODOLVNA-LBPRGKRZSA-N 1 2 388.269 2.527 20 30 GFEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cccc(Br)c1O ZINC000180588222 655328498 /nfs/dbraw/zinc/32/84/98/655328498.db2.gz KMCJHLSODOLVNA-LBPRGKRZSA-N 1 2 388.269 2.527 20 30 GFEDLO COCCN(c1cc[nH+]cc1)S(=O)(=O)c1cccc(Br)c1C#N ZINC000553503276 655422322 /nfs/dbraw/zinc/42/23/22/655422322.db2.gz PAZFXMPJKGDYSF-UHFFFAOYSA-N 1 2 396.266 2.557 20 30 GFEDLO Nc1c(Br)cc(Br)cc1C=[NH+]N1CCC[C@H]1CO ZINC000841659684 661307438 /nfs/dbraw/zinc/30/74/38/661307438.db2.gz HUKCYOVEOBXRPI-JTQLQIEISA-N 1 2 377.080 2.584 20 30 GFEDLO C#CCCCOc1ccc[nH+]c1NCCn1cc(Br)ccc1=O ZINC000853651654 661896270 /nfs/dbraw/zinc/89/62/70/661896270.db2.gz KAJCUWRNZIWCLU-UHFFFAOYSA-N 1 2 376.254 2.910 20 30 GFEDLO Cn1cc(C[N@@H+]2CCC[C@@H](Nc3ccc(C#N)cn3)C2)c(Br)n1 ZINC000896650658 663569638 /nfs/dbraw/zinc/56/96/38/663569638.db2.gz KFVYLPSJXCHHJV-CQSZACIVSA-N 1 2 375.274 2.526 20 30 GFEDLO Cn1cc(C[N@H+]2CCC[C@@H](Nc3ccc(C#N)cn3)C2)c(Br)n1 ZINC000896650658 663569639 /nfs/dbraw/zinc/56/96/39/663569639.db2.gz KFVYLPSJXCHHJV-CQSZACIVSA-N 1 2 375.274 2.526 20 30 GFEDLO C=CCOC(=O)[C@@H]([NH3+])Cc1nc(C2(c3cccc(Br)c3)CC2)no1 ZINC000904115994 663825096 /nfs/dbraw/zinc/82/50/96/663825096.db2.gz DRXSSRWKGFYELM-ZDUSSCGKSA-N 1 2 392.253 2.511 20 30 GFEDLO CC(C)CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932946565 664844272 /nfs/dbraw/zinc/84/42/72/664844272.db2.gz RMLGWARIQDXSMC-DTORHVGOSA-N 1 2 382.295 2.861 20 30 GFEDLO CC(C)CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932946565 664844275 /nfs/dbraw/zinc/84/42/75/664844275.db2.gz RMLGWARIQDXSMC-DTORHVGOSA-N 1 2 382.295 2.861 20 30 GFEDLO Cc1cc(C#N)c(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)nc1C ZINC001164945685 721972469 /nfs/dbraw/zinc/97/24/69/721972469.db2.gz QILBPVYKSHPDGS-UHFFFAOYSA-N 1 2 389.503 2.541 20 30 GFEDLO Cc1cc(C#N)c(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)nc1C ZINC001164945685 721972470 /nfs/dbraw/zinc/97/24/70/721972470.db2.gz QILBPVYKSHPDGS-UHFFFAOYSA-N 1 2 389.503 2.541 20 30 GFEDLO Cc1cc(I)ccc1NC(=O)C[NH2+][C@H]1CCC[C@@H]1C#N ZINC000331355843 563547137 /nfs/dbraw/zinc/54/71/37/563547137.db2.gz RDPXEBWOZRNIFG-RISCZKNCSA-N 1 2 383.233 2.820 20 30 GFEDLO N#Cc1ccc(OCC(=O)N2CC[NH+](Cc3ccsc3)CC2)c(Cl)c1 ZINC000053611661 551166815 /nfs/dbraw/zinc/16/68/15/551166815.db2.gz OHAIIGUBZYBEGQ-UHFFFAOYSA-N 1 2 375.881 2.996 20 30 GFEDLO C[C@@H](CNS(=O)(=O)c1ccc(Cl)c(C#N)c1)[N@@H+]1CCc2sccc2C1 ZINC000055244536 551171604 /nfs/dbraw/zinc/17/16/04/551171604.db2.gz DHZZQNAMBVPVCX-LBPRGKRZSA-N 1 2 395.937 2.998 20 30 GFEDLO C[C@@H](CNS(=O)(=O)c1ccc(Cl)c(C#N)c1)[N@H+]1CCc2sccc2C1 ZINC000055244536 551171607 /nfs/dbraw/zinc/17/16/07/551171607.db2.gz DHZZQNAMBVPVCX-LBPRGKRZSA-N 1 2 395.937 2.998 20 30 GFEDLO C=CCCS(=O)(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000121656755 551239137 /nfs/dbraw/zinc/23/91/37/551239137.db2.gz FGGHPDXGWKRADS-UHFFFAOYSA-N 1 2 387.343 2.909 20 30 GFEDLO N#Cc1ccc(NC(=O)C[NH+]2CCC([C@@H](O)C(F)(F)F)CC2)cc1Cl ZINC000141021249 551393917 /nfs/dbraw/zinc/39/39/17/551393917.db2.gz QVFQONGCKWTCBN-OAHLLOKOSA-N 1 2 375.778 2.785 20 30 GFEDLO N#Cc1ccc(S(=O)(=O)NCC[N@@H+]2CCc3sccc3C2)c(Cl)c1 ZINC000183532414 552312458 /nfs/dbraw/zinc/31/24/58/552312458.db2.gz IATLOVVQBCPXMX-UHFFFAOYSA-N 1 2 381.910 2.610 20 30 GFEDLO N#Cc1ccc(S(=O)(=O)NCC[N@H+]2CCc3sccc3C2)c(Cl)c1 ZINC000183532414 552312459 /nfs/dbraw/zinc/31/24/59/552312459.db2.gz IATLOVVQBCPXMX-UHFFFAOYSA-N 1 2 381.910 2.610 20 30 GFEDLO Cc1cccc(S(=O)(=O)N2CC[NH2+]C[C@@H]2c2ccccc2Cl)c1C#N ZINC000261804645 553159962 /nfs/dbraw/zinc/15/99/62/553159962.db2.gz WCXVVTXERJDWKX-QGZVFWFLSA-N 1 2 375.881 2.855 20 30 GFEDLO CC(C)[C@@H](NS(=O)(=O)c1cccc(Br)c1C#N)c1[nH]cc[nH+]1 ZINC000295802720 563263315 /nfs/dbraw/zinc/26/33/15/563263315.db2.gz BDKMREMSTATHJV-CYBMUJFWSA-N 1 2 383.271 2.719 20 30 GFEDLO N#C[C@H]1CC[C@@H]([NH+]2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000278661229 563265726 /nfs/dbraw/zinc/26/57/26/563265726.db2.gz QMLZZBLOLBHAHX-QWHCGFSZSA-N 1 2 388.320 2.992 20 30 GFEDLO N#Cc1c(F)cccc1C[NH+]1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000428454092 563493439 /nfs/dbraw/zinc/49/34/39/563493439.db2.gz HRPYGFOUTLQUPU-UHFFFAOYSA-N 1 2 379.482 2.702 20 30 GFEDLO C[C@@H]([NH2+][C@H]1CCN(c2ccc(C#N)cc2)C1=O)c1ncc(Br)cn1 ZINC000431107844 563553381 /nfs/dbraw/zinc/55/33/81/563553381.db2.gz SKFZLESDEQKJJN-ABAIWWIYSA-N 1 2 386.253 2.567 20 30 GFEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)cc1Cl ZINC000286628727 563568776 /nfs/dbraw/zinc/56/87/76/563568776.db2.gz SMGHLXLBTLAXGG-WCQYABFASA-N 1 2 375.778 2.643 20 30 GFEDLO N#Cc1ccc(NC(=O)C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)cc1Cl ZINC000286628727 563568781 /nfs/dbraw/zinc/56/87/81/563568781.db2.gz SMGHLXLBTLAXGG-WCQYABFASA-N 1 2 375.778 2.643 20 30 GFEDLO CCN1CCN(C(=O)c2cccc(C#N)c2Br)C[C@H]1c1[nH]cc[nH+]1 ZINC000332320280 563593015 /nfs/dbraw/zinc/59/30/15/563593015.db2.gz NOLQTILAZDJGKO-AWEZNQCLSA-N 1 2 388.269 2.563 20 30 GFEDLO N#Cc1cc(Br)ccc1C[N@H+](CCO)CCOCC(F)(F)F ZINC000287878551 563621022 /nfs/dbraw/zinc/62/10/22/563621022.db2.gz SSLXCKGEEHUTHB-UHFFFAOYSA-N 1 2 381.192 2.694 20 30 GFEDLO N#Cc1cc(Br)ccc1C[N@@H+](CCO)CCOCC(F)(F)F ZINC000287878551 563621025 /nfs/dbraw/zinc/62/10/25/563621025.db2.gz SSLXCKGEEHUTHB-UHFFFAOYSA-N 1 2 381.192 2.694 20 30 GFEDLO N#Cc1ccccc1S(=O)(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000442780499 563779681 /nfs/dbraw/zinc/77/96/81/563779681.db2.gz NSWPWGFQJKPAQU-UHFFFAOYSA-N 1 2 375.881 2.548 20 30 GFEDLO N#Cc1ccccc1S(=O)(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000442780499 563779685 /nfs/dbraw/zinc/77/96/85/563779685.db2.gz NSWPWGFQJKPAQU-UHFFFAOYSA-N 1 2 375.881 2.548 20 30 GFEDLO Cc1cc(S(=O)(=O)NC[C@@H](C)[N@@H+]2CCc3sccc3C2)ccc1C#N ZINC000443946497 563815661 /nfs/dbraw/zinc/81/56/61/563815661.db2.gz MQQWHSGAQBAICT-CQSZACIVSA-N 1 2 375.519 2.653 20 30 GFEDLO Cc1cc(S(=O)(=O)NC[C@@H](C)[N@H+]2CCc3sccc3C2)ccc1C#N ZINC000443946497 563815663 /nfs/dbraw/zinc/81/56/63/563815663.db2.gz MQQWHSGAQBAICT-CQSZACIVSA-N 1 2 375.519 2.653 20 30 GFEDLO CC(C)Cn1cc[nH+]c1CNC(=O)COc1cccc(Br)c1C#N ZINC000449934532 564209931 /nfs/dbraw/zinc/20/99/31/564209931.db2.gz KMAFOAFBNPWRJL-UHFFFAOYSA-N 1 2 391.269 2.868 20 30 GFEDLO CC(C)(C)OC(=O)C[NH2+][C@]1(C)CCN(c2ncc(Br)cc2C#N)C1 ZINC000450503120 564235895 /nfs/dbraw/zinc/23/58/95/564235895.db2.gz WGKDBIWKSROZMC-QGZVFWFLSA-N 1 2 395.301 2.616 20 30 GFEDLO C[C@H](Cc1ccsc1)[NH+]1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000543058661 564335975 /nfs/dbraw/zinc/33/59/75/564335975.db2.gz NIIKPJMYBBKMOQ-OAHLLOKOSA-N 1 2 375.519 2.557 20 30 GFEDLO Cn1cc[nH+]c1[C@@H]1N(S(=O)(=O)c2ccc(CC#N)cc2Cl)CC1(C)C ZINC000566837963 564345594 /nfs/dbraw/zinc/34/55/94/564345594.db2.gz UBXHLHMILDRYHZ-HNNXBMFYSA-N 1 2 378.885 2.911 20 30 GFEDLO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1sccc1C#N)c1ccccc1Cl ZINC000511931210 564385802 /nfs/dbraw/zinc/38/58/02/564385802.db2.gz UYXNMFVZIPOBPC-AWEZNQCLSA-N 1 2 376.869 2.631 20 30 GFEDLO CC(C)[C@H]1CN(S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CC[N@@H+]1C ZINC000486625027 564659284 /nfs/dbraw/zinc/65/92/84/564659284.db2.gz CIQLJTHFAJUAAE-CQSZACIVSA-N 1 2 375.416 2.538 20 30 GFEDLO CC(C)[C@H]1CN(S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CC[N@H+]1C ZINC000486625027 564659286 /nfs/dbraw/zinc/65/92/86/564659286.db2.gz CIQLJTHFAJUAAE-CQSZACIVSA-N 1 2 375.416 2.538 20 30 GFEDLO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(C#N)c(F)c1)c1ccccc1Cl ZINC000489024429 564727504 /nfs/dbraw/zinc/72/75/04/564727504.db2.gz SKONJZVBVFSGNW-KRWDZBQOSA-N 1 2 381.860 2.932 20 30 GFEDLO Cc1cc(Br)cn2cc(CCNC(=O)c3ncc(C#N)cc3C)[nH+]c12 ZINC000557379695 564861920 /nfs/dbraw/zinc/86/19/20/564861920.db2.gz RDGOXVBWKKEFNG-UHFFFAOYSA-N 1 2 398.264 2.953 20 30 GFEDLO N#Cc1ccc([C@@H](C(N)=O)[NH+]2CCN(c3cccc(Br)c3)CC2)cc1 ZINC000583455843 564892306 /nfs/dbraw/zinc/89/23/06/564892306.db2.gz YFLQVBQFEJUUPX-SFHVURJKSA-N 1 2 399.292 2.669 20 30 GFEDLO N#CCc1ccc(S(=O)(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c(Cl)c1 ZINC000584154174 564923278 /nfs/dbraw/zinc/92/32/78/564923278.db2.gz VMJDEROHJRYFSZ-OAHLLOKOSA-N 1 2 377.853 2.643 20 30 GFEDLO C=CCN1CC[C@H]([NH+]2CCN(CCc3ccc(Cl)c(Cl)c3)CC2)C1=O ZINC000499597097 564931198 /nfs/dbraw/zinc/93/11/98/564931198.db2.gz BUVXYYWBAUCANM-SFHVURJKSA-N 1 2 382.335 2.940 20 30 GFEDLO C=CCN1CC[C@H](N2CC[NH+](CCc3ccc(Cl)c(Cl)c3)CC2)C1=O ZINC000499597097 564931202 /nfs/dbraw/zinc/93/12/02/564931202.db2.gz BUVXYYWBAUCANM-SFHVURJKSA-N 1 2 382.335 2.940 20 30 GFEDLO C=CCN(CC=C)C(=O)C[NH+]1CCN(c2cccc(Br)c2)CC1 ZINC000560167459 564952322 /nfs/dbraw/zinc/95/23/22/564952322.db2.gz KKSVQFFHNNEJII-UHFFFAOYSA-N 1 2 378.314 2.772 20 30 GFEDLO N#Cc1ccc(OCC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc1Br ZINC000590666087 565195660 /nfs/dbraw/zinc/19/56/60/565195660.db2.gz DRGUVUAOHIYTHK-AWEZNQCLSA-N 1 2 389.253 2.760 20 30 GFEDLO C=C(C)CS(=O)(=O)N[C@H](c1[nH+]ccn1C)c1ccc(Br)cc1 ZINC000660014369 565239527 /nfs/dbraw/zinc/23/95/27/565239527.db2.gz NXNAIYXTOORSPU-AWEZNQCLSA-N 1 2 384.299 2.768 20 30 GFEDLO C=CC[N@@H+](CCS(=O)(=O)c1cccc(Br)c1)[C@H](C)COC ZINC000661241995 565316130 /nfs/dbraw/zinc/31/61/30/565316130.db2.gz GJZWMBSDJDSYAV-CYBMUJFWSA-N 1 2 376.316 2.746 20 30 GFEDLO C=CC[N@H+](CCS(=O)(=O)c1cccc(Br)c1)[C@H](C)COC ZINC000661241995 565316135 /nfs/dbraw/zinc/31/61/35/565316135.db2.gz GJZWMBSDJDSYAV-CYBMUJFWSA-N 1 2 376.316 2.746 20 30 GFEDLO CC#CC[NH2+]Cc1cn(CC(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)nn1 ZINC000640846893 565331053 /nfs/dbraw/zinc/33/10/53/565331053.db2.gz AGQNWXNLKKVRQW-GFCCVEGCSA-N 1 2 380.279 2.575 20 30 GFEDLO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCc3nccc(Br)c3C2)cc1 ZINC000598945168 565650365 /nfs/dbraw/zinc/65/03/65/565650365.db2.gz FRXPNOVDXIHCJW-AWEZNQCLSA-N 1 2 388.265 2.514 20 30 GFEDLO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCc3nccc(Br)c3C2)cc1 ZINC000598945168 565650367 /nfs/dbraw/zinc/65/03/67/565650367.db2.gz FRXPNOVDXIHCJW-AWEZNQCLSA-N 1 2 388.265 2.514 20 30 GFEDLO N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCc2nccc(Br)c2C1 ZINC000602848053 565870118 /nfs/dbraw/zinc/87/01/18/565870118.db2.gz CXYNSODBMVDJOJ-AWEZNQCLSA-N 1 2 388.265 2.514 20 30 GFEDLO N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CCc2nccc(Br)c2C1 ZINC000602848053 565870123 /nfs/dbraw/zinc/87/01/23/565870123.db2.gz CXYNSODBMVDJOJ-AWEZNQCLSA-N 1 2 388.265 2.514 20 30 GFEDLO C[C@H](NC(=O)C[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1)c1ccc(Br)cc1 ZINC000602857741 565871983 /nfs/dbraw/zinc/87/19/83/565871983.db2.gz UONSLOGGKHUJMR-ZNMIVQPWSA-N 1 2 393.329 2.544 20 30 GFEDLO C[C@H](NC(=O)C[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1)c1ccc(Br)cc1 ZINC000602857741 565871987 /nfs/dbraw/zinc/87/19/87/565871987.db2.gz UONSLOGGKHUJMR-ZNMIVQPWSA-N 1 2 393.329 2.544 20 30 GFEDLO Cc1oc(NC(=O)C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)c(C#N)c1C ZINC000822549211 607365103 /nfs/dbraw/zinc/36/51/03/607365103.db2.gz VXULMKBFEYAXCN-UHFFFAOYSA-N 1 2 391.435 2.551 20 30 GFEDLO Cc1oc(NC(=O)C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)c(C#N)c1C ZINC000822549211 607365104 /nfs/dbraw/zinc/36/51/04/607365104.db2.gz VXULMKBFEYAXCN-UHFFFAOYSA-N 1 2 391.435 2.551 20 30 GFEDLO C=C(Cl)CSc1nc(C)c(CC(=O)N[C@@H](C)C[NH+]2CCOCC2)s1 ZINC000819107161 660246795 /nfs/dbraw/zinc/24/67/95/660246795.db2.gz FPDAKCMYXASKNK-LBPRGKRZSA-N 1 2 389.974 2.676 20 30 GFEDLO C#C[C@H](NC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1)c1ccc(Br)cc1 ZINC000836317892 660899490 /nfs/dbraw/zinc/89/94/90/660899490.db2.gz JIAJKRDAWYYPNR-KEYYUXOJSA-N 1 2 394.313 2.532 20 30 GFEDLO Oc1ccc(Br)cc1/C=N/C[C@]1([NH+]2CCOCC2)CCSC1 ZINC000032070125 654599461 /nfs/dbraw/zinc/59/94/61/654599461.db2.gz KYJJXEBNPNYFTG-VHWUNXFSSA-N 1 2 385.327 2.782 20 30 GFEDLO C[C@@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC[S@@]1=O ZINC000277260581 655310220 /nfs/dbraw/zinc/31/02/20/655310220.db2.gz QVXGYIBBYDECRV-SHZVTRLKSA-N 1 2 379.551 2.670 20 30 GFEDLO C[C@@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC[S@@]1=O ZINC000277260581 655310221 /nfs/dbraw/zinc/31/02/21/655310221.db2.gz QVXGYIBBYDECRV-SHZVTRLKSA-N 1 2 379.551 2.670 20 30 GFEDLO C=CCOc1c(Br)cc(C[N@H+](C)CC(=O)NC(C)C)cc1OC ZINC000120265782 655333225 /nfs/dbraw/zinc/33/32/25/655333225.db2.gz JUVJOQLRDVPFDN-UHFFFAOYSA-N 1 2 385.302 2.979 20 30 GFEDLO C=CCOc1c(Br)cc(C[N@@H+](C)CC(=O)NC(C)C)cc1OC ZINC000120265782 655333226 /nfs/dbraw/zinc/33/32/26/655333226.db2.gz JUVJOQLRDVPFDN-UHFFFAOYSA-N 1 2 385.302 2.979 20 30 GFEDLO C[C@@H]1[C@@H](C)[S@](=O)CC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000265647515 655488014 /nfs/dbraw/zinc/48/80/14/655488014.db2.gz UGFHWMVMPJVYPC-FUIYZNBFSA-N 1 2 379.551 2.668 20 30 GFEDLO C[C@@H]1[C@@H](C)[S@](=O)CC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000265647515 655488016 /nfs/dbraw/zinc/48/80/16/655488016.db2.gz UGFHWMVMPJVYPC-FUIYZNBFSA-N 1 2 379.551 2.668 20 30 GFEDLO CS(=O)(=O)c1ccc(OCCCO[NH+]=C(N)c2ccc(Cl)cc2)cc1 ZINC000745169742 655748755 /nfs/dbraw/zinc/74/87/55/655748755.db2.gz XXQZTWKGDPTXDD-UHFFFAOYSA-N 1 2 382.869 2.850 20 30 GFEDLO C#CC[NH+]1CCC(C(=O)OCC(=O)c2ccc(OC)c(Br)c2)CC1 ZINC000772119051 656372990 /nfs/dbraw/zinc/37/29/90/656372990.db2.gz BAWVQAHKYRBVGH-UHFFFAOYSA-N 1 2 394.265 2.529 20 30 GFEDLO COC(=O)c1cccc(CO[NH+]=C(N)c2ccc(Br)cc2)c1C#N ZINC000782948287 657195969 /nfs/dbraw/zinc/19/59/69/657195969.db2.gz JICOPMPOBSCHNY-UHFFFAOYSA-N 1 2 388.221 2.944 20 30 GFEDLO N#Cc1nc(NC(=O)NCCc2cn3c([nH+]2)CCCC3)ccc1Br ZINC000883077943 663047998 /nfs/dbraw/zinc/04/79/98/663047998.db2.gz BSDDSZDGSPUMAL-UHFFFAOYSA-N 1 2 389.257 2.613 20 30 GFEDLO C=CCOC(=O)[C@@H]([NH3+])Cc1nc(C(C)(C)c2ccc(Br)cc2)no1 ZINC000904110410 663824809 /nfs/dbraw/zinc/82/48/09/663824809.db2.gz SDGNPZITVXYBEI-ZDUSSCGKSA-N 1 2 394.269 2.757 20 30 GFEDLO C=CCOC(=O)[C@@H]([NH3+])Cc1nc(C(C)(C)c2ccccc2Br)no1 ZINC000904120771 663825329 /nfs/dbraw/zinc/82/53/29/663825329.db2.gz DMMHQJIATFNCTI-ZDUSSCGKSA-N 1 2 394.269 2.757 20 30 GFEDLO C[NH+](C)Cc1csc(CNC(=O)Cc2ccc(Br)cc2C#N)n1 ZINC000927763272 664715214 /nfs/dbraw/zinc/71/52/14/664715214.db2.gz BQUDXKTUTZZARE-UHFFFAOYSA-N 1 2 393.310 2.698 20 30 GFEDLO O=C1C=COC2(CC[NH+](Cc3nnc(-c4ccc(Br)o4)o3)CC2)C1 ZINC000933657273 664871341 /nfs/dbraw/zinc/87/13/41/664871341.db2.gz OYJUQLHGIRVINH-UHFFFAOYSA-N 1 2 394.225 2.930 20 30 GFEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+](C)CC(=O)Nc1ccccc1Br ZINC000031238370 551129228 /nfs/dbraw/zinc/12/92/28/551129228.db2.gz UCGMZYPHYKXQGP-AWEZNQCLSA-N 1 2 394.313 2.909 20 30 GFEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+](C)CC(=O)Nc1ccccc1Br ZINC000031238370 551129230 /nfs/dbraw/zinc/12/92/30/551129230.db2.gz UCGMZYPHYKXQGP-AWEZNQCLSA-N 1 2 394.313 2.909 20 30 GFEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN(c2ccc(Br)cn2)CC1 ZINC000042146444 551138214 /nfs/dbraw/zinc/13/82/14/551138214.db2.gz GMMCKNDQIXSQHX-HNNXBMFYSA-N 1 2 395.345 2.779 20 30 GFEDLO C=CC[N@@H+](CC1=Cc2cc(Br)ccc2OC1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361512 551194348 /nfs/dbraw/zinc/19/43/48/551194348.db2.gz PVDDIPFFHNPLRM-MRXNPFEDSA-N 1 2 398.322 2.900 20 30 GFEDLO C=CC[N@H+](CC1=Cc2cc(Br)ccc2OC1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361512 551194350 /nfs/dbraw/zinc/19/43/50/551194350.db2.gz PVDDIPFFHNPLRM-MRXNPFEDSA-N 1 2 398.322 2.900 20 30 GFEDLO C=CCC[C@H](O)C[NH+]1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000121222761 551229996 /nfs/dbraw/zinc/22/99/96/551229996.db2.gz KOLYWYHCEWEWMB-ZDUSSCGKSA-N 1 2 393.336 2.627 20 30 GFEDLO C=CCC[C@H](O)C[NH+]1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000178026228 552162681 /nfs/dbraw/zinc/16/26/81/552162681.db2.gz YJTSNKBYEUNJOJ-ZDUSSCGKSA-N 1 2 393.336 2.627 20 30 GFEDLO C=CC[N@@H+](Cc1ccc(OCC(F)(F)F)c(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000183294258 552304884 /nfs/dbraw/zinc/30/48/84/552304884.db2.gz MHXLCZWTWQOMJH-CYBMUJFWSA-N 1 2 381.391 2.942 20 30 GFEDLO C=CC[N@H+](Cc1ccc(OCC(F)(F)F)c(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000183294258 552304886 /nfs/dbraw/zinc/30/48/86/552304886.db2.gz MHXLCZWTWQOMJH-CYBMUJFWSA-N 1 2 381.391 2.942 20 30 GFEDLO C=CCOc1c(Br)cc(C[NH2+]CC2(O)CCOCC2)cc1OC ZINC000237133641 553075387 /nfs/dbraw/zinc/07/53/87/553075387.db2.gz LWRDPLVQIMPDNP-UHFFFAOYSA-N 1 2 386.286 2.654 20 30 GFEDLO C[C@H]1CC[S@](=O)CC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000375933151 563424123 /nfs/dbraw/zinc/42/41/23/563424123.db2.gz NYYOWHMBLUAARM-CANCMXDXSA-N 1 2 379.551 2.670 20 30 GFEDLO C[C@H]1CC[S@](=O)CC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000375933151 563424124 /nfs/dbraw/zinc/42/41/24/563424124.db2.gz NYYOWHMBLUAARM-CANCMXDXSA-N 1 2 379.551 2.670 20 30 GFEDLO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000330469655 563506614 /nfs/dbraw/zinc/50/66/14/563506614.db2.gz LSRCVQILBNVCKN-JTQLQIEISA-N 1 2 386.246 2.691 20 30 GFEDLO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000330469655 563506615 /nfs/dbraw/zinc/50/66/15/563506615.db2.gz LSRCVQILBNVCKN-JTQLQIEISA-N 1 2 386.246 2.691 20 30 GFEDLO CC(C)[C@@H](CNC(=O)c1cc(Br)cnc1N(C)C)[NH+]1CCOCC1 ZINC000330733280 563518917 /nfs/dbraw/zinc/51/89/17/563518917.db2.gz KLVMYILOOPPXFJ-OAHLLOKOSA-N 1 2 399.333 2.572 20 30 GFEDLO CN(Cc1[nH+]ccn1CC(F)(F)F)S(=O)(=O)CC1(C#N)CCCCC1 ZINC000331036532 563532503 /nfs/dbraw/zinc/53/25/03/563532503.db2.gz ACWZAHBXUGMLHA-UHFFFAOYSA-N 1 2 378.420 2.681 20 30 GFEDLO CC1(C)CN(S(=O)(=O)c2ccc(C#N)s2)CC[N@@H+]1Cc1ccccc1 ZINC000331244975 563542147 /nfs/dbraw/zinc/54/21/47/563542147.db2.gz OXISXHDZNBCJRB-UHFFFAOYSA-N 1 2 375.519 2.905 20 30 GFEDLO CC1(C)CN(S(=O)(=O)c2ccc(C#N)s2)CC[N@H+]1Cc1ccccc1 ZINC000331244975 563542149 /nfs/dbraw/zinc/54/21/49/563542149.db2.gz OXISXHDZNBCJRB-UHFFFAOYSA-N 1 2 375.519 2.905 20 30 GFEDLO C[C@@H](CNS(=O)(=O)CC1(C#N)CCCCC1)[N@@H+]1CCc2sccc2C1 ZINC000331547942 563552942 /nfs/dbraw/zinc/55/29/42/563552942.db2.gz HVSULOBNDYRHBW-HNNXBMFYSA-N 1 2 381.567 2.888 20 30 GFEDLO C[C@@H](CNS(=O)(=O)CC1(C#N)CCCCC1)[N@H+]1CCc2sccc2C1 ZINC000331547942 563552947 /nfs/dbraw/zinc/55/29/47/563552947.db2.gz HVSULOBNDYRHBW-HNNXBMFYSA-N 1 2 381.567 2.888 20 30 GFEDLO C[N@H+](CCS(=O)(=O)c1ccc(C#N)cn1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000291616752 563750049 /nfs/dbraw/zinc/75/00/49/563750049.db2.gz CNUXBUMVOYFIJW-KGLIPLIRSA-N 1 2 375.416 2.780 20 30 GFEDLO C[N@@H+](CCS(=O)(=O)c1ccc(C#N)cn1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000291616752 563750052 /nfs/dbraw/zinc/75/00/52/563750052.db2.gz CNUXBUMVOYFIJW-KGLIPLIRSA-N 1 2 375.416 2.780 20 30 GFEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000444727472 563835553 /nfs/dbraw/zinc/83/55/53/563835553.db2.gz FGFDYXCSGSPOFR-ABAIWWIYSA-N 1 2 375.778 2.785 20 30 GFEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000444727472 563835555 /nfs/dbraw/zinc/83/55/55/563835555.db2.gz FGFDYXCSGSPOFR-ABAIWWIYSA-N 1 2 375.778 2.785 20 30 GFEDLO CCn1cc[nH+]c1[C@@H](C)NS(=O)(=O)c1cc(Br)ccc1C#N ZINC000416493565 563838610 /nfs/dbraw/zinc/83/86/10/563838610.db2.gz HUGSBXQZXRULBG-SNVBAGLBSA-N 1 2 383.271 2.577 20 30 GFEDLO N#Cc1cc(Br)ccc1C(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000294424195 563841914 /nfs/dbraw/zinc/84/19/14/563841914.db2.gz NLXVUXKKUOFXLK-UHFFFAOYSA-N 1 2 385.265 2.674 20 30 GFEDLO N#Cc1c(Cl)cccc1S(=O)(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000506227772 564198791 /nfs/dbraw/zinc/19/87/91/564198791.db2.gz QOTYNTFDCVMZFX-UHFFFAOYSA-N 1 2 375.881 2.718 20 30 GFEDLO C=CCNC(=O)CN1CC[NH+]([C@H](CC)c2ccc(Br)cc2)CC1 ZINC000507804213 564243456 /nfs/dbraw/zinc/24/34/56/564243456.db2.gz NEVBCUALGVBOQZ-QGZVFWFLSA-N 1 2 380.330 2.820 20 30 GFEDLO C=CCNC(=O)C[NH+]1CCN([C@H](CC)c2ccc(Br)cc2)CC1 ZINC000507804213 564243460 /nfs/dbraw/zinc/24/34/60/564243460.db2.gz NEVBCUALGVBOQZ-QGZVFWFLSA-N 1 2 380.330 2.820 20 30 GFEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000451893473 564363560 /nfs/dbraw/zinc/36/35/60/564363560.db2.gz QQFDXFRBVHLGAM-PUYPPJJSSA-N 1 2 375.778 2.784 20 30 GFEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000451893473 564363565 /nfs/dbraw/zinc/36/35/65/564363565.db2.gz QQFDXFRBVHLGAM-PUYPPJJSSA-N 1 2 375.778 2.784 20 30 GFEDLO N#Cc1c(Br)cccc1OCC(=O)Nc1c[nH+]c2n1CCCC2 ZINC000452334565 564405637 /nfs/dbraw/zinc/40/56/37/564405637.db2.gz VEMNHKGJQJBSFL-UHFFFAOYSA-N 1 2 375.226 2.871 20 30 GFEDLO N#CC[C@@H]1CC[C@H](NC(=O)NCc2cn3cc(Br)ccc3[nH+]2)C1 ZINC000454360652 564508323 /nfs/dbraw/zinc/50/83/23/564508323.db2.gz UNZMOIPKANQDJX-AAEUAGOBSA-N 1 2 376.258 2.978 20 30 GFEDLO C=C[C@@](C)(CCOC)C(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000456992733 564642408 /nfs/dbraw/zinc/64/24/08/564642408.db2.gz XEOPXUIWABOFTA-KRWDZBQOSA-N 1 2 398.301 2.848 20 30 GFEDLO C=C(C)CN(CC)C(=O)C[N@H+](CCO)Cc1cc(Br)ccc1F ZINC000491075363 564786448 /nfs/dbraw/zinc/78/64/48/564786448.db2.gz LJOTWKFMKNPMCR-UHFFFAOYSA-N 1 2 387.293 2.807 20 30 GFEDLO C=C(C)CN(CC)C(=O)C[N@@H+](CCO)Cc1cc(Br)ccc1F ZINC000491075363 564786451 /nfs/dbraw/zinc/78/64/51/564786451.db2.gz LJOTWKFMKNPMCR-UHFFFAOYSA-N 1 2 387.293 2.807 20 30 GFEDLO Cc1cc(Br)cn2cc(CCNC(=O)N[C@H]3CCC[C@H]3C#N)[nH+]c12 ZINC000461940553 564809017 /nfs/dbraw/zinc/80/90/17/564809017.db2.gz KPRBNTQQADIYHM-WFASDCNBSA-N 1 2 390.285 2.939 20 30 GFEDLO Cc1cc(N2CC[C@@H]([NH2+]C[C@H](C#N)CCC#N)C2=O)ccc1Br ZINC000581641150 564811770 /nfs/dbraw/zinc/81/17/70/564811770.db2.gz JLMICDBNUUPZHF-XJKSGUPXSA-N 1 2 375.270 2.896 20 30 GFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)COc1ccc2cc(Br)ccc2c1 ZINC000582395663 564844410 /nfs/dbraw/zinc/84/44/10/564844410.db2.gz JYDOVUZSNJMYFR-SFHVURJKSA-N 1 2 390.281 2.941 20 30 GFEDLO N#Cc1ccnc(N2CC[NH+](Cc3cc(Br)cc4c3OCC4)CC2)c1 ZINC000462791369 564858943 /nfs/dbraw/zinc/85/89/43/564858943.db2.gz KURJGLHAIKICID-UHFFFAOYSA-N 1 2 399.292 2.973 20 30 GFEDLO C=CCCCNC(=O)C[NH+]1CCN(Cc2ccc(Br)cc2F)CC1 ZINC000468401413 564983708 /nfs/dbraw/zinc/98/37/08/564983708.db2.gz CLNUVYIBRCTPGP-UHFFFAOYSA-N 1 2 398.320 2.788 20 30 GFEDLO C[C@@H](CSc1ccccc1)[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000593045665 565309962 /nfs/dbraw/zinc/30/99/62/565309962.db2.gz KYKAYVWUGWPNHM-HNNXBMFYSA-N 1 2 375.519 2.840 20 30 GFEDLO C[C@@H](CSc1ccccc1)[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000593045665 565309968 /nfs/dbraw/zinc/30/99/68/565309968.db2.gz KYKAYVWUGWPNHM-HNNXBMFYSA-N 1 2 375.519 2.840 20 30 GFEDLO N#Cc1ccc(S(=O)(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)s1 ZINC000619547474 565348645 /nfs/dbraw/zinc/34/86/45/565348645.db2.gz CMOWQKVMLCFISN-UHFFFAOYSA-N 1 2 376.507 2.874 20 30 GFEDLO C=CC[C@]1(C(=O)NCc2n[nH]c(-c3ccc(Br)cc3)n2)CCC[NH2+]1 ZINC000662566525 565377240 /nfs/dbraw/zinc/37/72/40/565377240.db2.gz WBZSARFHUDJDJU-QGZVFWFLSA-N 1 2 390.285 2.549 20 30 GFEDLO C=CC[C@]1(C(=O)NCc2nc(-c3ccc(Br)cc3)n[nH]2)CCC[NH2+]1 ZINC000662566525 565377244 /nfs/dbraw/zinc/37/72/44/565377244.db2.gz WBZSARFHUDJDJU-QGZVFWFLSA-N 1 2 390.285 2.549 20 30 GFEDLO N#CC1(C[C@@H](O)C[N@@H+]2CCOc3cc(Br)ccc3C2)CCOCC1 ZINC000599481288 565683102 /nfs/dbraw/zinc/68/31/02/565683102.db2.gz JGPAJCBKNDEBFO-MRXNPFEDSA-N 1 2 395.297 2.715 20 30 GFEDLO N#CC1(C[C@@H](O)C[N@H+]2CCOc3cc(Br)ccc3C2)CCOCC1 ZINC000599481288 565683106 /nfs/dbraw/zinc/68/31/06/565683106.db2.gz JGPAJCBKNDEBFO-MRXNPFEDSA-N 1 2 395.297 2.715 20 30 GFEDLO Cc1nccnc1C[NH+]1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000602802132 565869544 /nfs/dbraw/zinc/86/95/44/565869544.db2.gz XHLVFYSPBWJRNW-GOSISDBHSA-N 1 2 386.297 2.930 20 30 GFEDLO C[C@H](C(=O)Nc1cccc(Br)c1)[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602856741 565870772 /nfs/dbraw/zinc/87/07/72/565870772.db2.gz NFBNBPDZFQZIRA-HZSPNIEDSA-N 1 2 379.302 2.694 20 30 GFEDLO C[C@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602856741 565870773 /nfs/dbraw/zinc/87/07/73/565870773.db2.gz NFBNBPDZFQZIRA-HZSPNIEDSA-N 1 2 379.302 2.694 20 30 GFEDLO Cc1cc(Br)ccc1NC(=O)C[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602863913 565872077 /nfs/dbraw/zinc/87/20/77/565872077.db2.gz PRXRJJFFOFUBHD-KBPBESRZSA-N 1 2 379.302 2.614 20 30 GFEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(Oc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000735380786 598407833 /nfs/dbraw/zinc/40/78/33/598407833.db2.gz IWVWNXHVJWGBDI-IBGZPJMESA-N 1 2 388.431 2.695 20 30 GFEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(Oc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000735380786 598407836 /nfs/dbraw/zinc/40/78/36/598407836.db2.gz IWVWNXHVJWGBDI-IBGZPJMESA-N 1 2 388.431 2.695 20 30 GFEDLO C=CC[N@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1cc(=O)oc2cc(O)ccc12 ZINC000823915340 609268442 /nfs/dbraw/zinc/26/84/42/609268442.db2.gz VLCYUPNWYFSNQN-UHFFFAOYSA-N 1 2 389.415 2.867 20 30 GFEDLO C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1cc(=O)oc2cc(O)ccc12 ZINC000823915340 609268444 /nfs/dbraw/zinc/26/84/44/609268444.db2.gz VLCYUPNWYFSNQN-UHFFFAOYSA-N 1 2 389.415 2.867 20 30 GFEDLO C#CC[NH+]1CCN(Cn2nc(COc3ccc(Cl)cc3)oc2=S)CC1 ZINC000044756527 654663257 /nfs/dbraw/zinc/66/32/57/654663257.db2.gz SNUSWWSQRWWWET-UHFFFAOYSA-N 1 2 378.885 2.646 20 30 GFEDLO C=CCN(Cc1cccs1)C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000047071127 654690135 /nfs/dbraw/zinc/69/01/35/654690135.db2.gz KVVLJVVIVZRVQK-GOSISDBHSA-N 1 2 381.567 2.654 20 30 GFEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)OC(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000767112214 656194534 /nfs/dbraw/zinc/19/45/34/656194534.db2.gz QEKWZKTYSBJCDZ-HUUCEWRRSA-N 1 2 382.551 2.632 20 30 GFEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)OC(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000767112214 656194537 /nfs/dbraw/zinc/19/45/37/656194537.db2.gz QEKWZKTYSBJCDZ-HUUCEWRRSA-N 1 2 382.551 2.632 20 30 GFEDLO C=C(Br)C[NH+]1CCC(N2C[C@H](C(=O)OC(C)(C)C)CC2=O)CC1 ZINC000844360575 661416669 /nfs/dbraw/zinc/41/66/69/661416669.db2.gz OXBXOGOBJQGQFS-CYBMUJFWSA-N 1 2 387.318 2.550 20 30 GFEDLO N#Cc1ccc(C(=O)N(CCn2cc[nH+]c2)C2CCSCC2)nc1Cl ZINC000854411740 661932068 /nfs/dbraw/zinc/93/20/68/661932068.db2.gz BXBISCPFEGOXRH-UHFFFAOYSA-N 1 2 375.885 2.841 20 30 GFEDLO C[C@@H]([NH2+]Cc1cc(C#N)cnc1Cl)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000877003668 662869473 /nfs/dbraw/zinc/86/94/73/662869473.db2.gz XVUMFWQCVHXJKV-GFCCVEGCSA-N 1 2 378.885 2.708 20 30 GFEDLO Cn1ncc(I)c1C[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000894359516 663457696 /nfs/dbraw/zinc/45/76/96/663457696.db2.gz QKUMOGRVQFPRAF-UHFFFAOYSA-N 1 2 378.217 2.675 20 30 GFEDLO CCn1nncc1C[NH+]1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932945210 664844033 /nfs/dbraw/zinc/84/40/33/664844033.db2.gz SSOIBJJXABEEEG-RKDXNWHRSA-N 1 2 378.267 2.901 20 30 GFEDLO N#Cc1ccccc1C[NH+]1CCC(C(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000359942543 212126074 /nfs/dbraw/zinc/12/60/74/212126074.db2.gz UKMXXKNLWDHNFT-UHFFFAOYSA-N 1 2 375.428 2.984 20 30 GFEDLO Cc1cc(Nc2ccc(N3CCNC(=O)C3)[nH+]c2)n2c3ccccc3nc2c1C#N ZINC000071952866 222199972 /nfs/dbraw/zinc/19/99/72/222199972.db2.gz SZQXBZRERZHLNI-UHFFFAOYSA-N 1 2 397.442 2.742 20 30 GFEDLO CC[N@@H+]1CCc2nc(NS(=O)(=O)c3cccc(Cl)c3C#N)sc2C1 ZINC000114053972 551208600 /nfs/dbraw/zinc/20/86/00/551208600.db2.gz FZHFYKLRFGSBAD-UHFFFAOYSA-N 1 2 382.898 2.847 20 30 GFEDLO CC[N@H+]1CCc2nc(NS(=O)(=O)c3cccc(Cl)c3C#N)sc2C1 ZINC000114053972 551208601 /nfs/dbraw/zinc/20/86/01/551208601.db2.gz FZHFYKLRFGSBAD-UHFFFAOYSA-N 1 2 382.898 2.847 20 30 GFEDLO C[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000121748716 551241750 /nfs/dbraw/zinc/24/17/50/551241750.db2.gz VKOMVNCIFUOXKC-MSOLQXFVSA-N 1 2 375.881 2.935 20 30 GFEDLO C[N@H+]1CC[C@@H](NS(=O)(=O)c2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000121748716 551241752 /nfs/dbraw/zinc/24/17/52/551241752.db2.gz VKOMVNCIFUOXKC-MSOLQXFVSA-N 1 2 375.881 2.935 20 30 GFEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN([C@H](C)c2ccc(Br)cc2)CC1 ZINC000173855320 552094898 /nfs/dbraw/zinc/09/48/98/552094898.db2.gz XRESIMZRMOMVMV-CABCVRRESA-N 1 2 380.330 2.818 20 30 GFEDLO COc1ccc(C[N@H+](C)[C@@H](C(N)=O)c2cccc(Br)c2)cc1C#N ZINC000181065901 552245028 /nfs/dbraw/zinc/24/50/28/552245028.db2.gz CIJJSAOYBSZMMM-QGZVFWFLSA-N 1 2 388.265 2.988 20 30 GFEDLO COc1ccc(C[N@@H+](C)[C@@H](C(N)=O)c2cccc(Br)c2)cc1C#N ZINC000181065901 552245029 /nfs/dbraw/zinc/24/50/29/552245029.db2.gz CIJJSAOYBSZMMM-QGZVFWFLSA-N 1 2 388.265 2.988 20 30 GFEDLO COc1cc(C#N)ccc1C[N@H+](C)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000181068001 552245288 /nfs/dbraw/zinc/24/52/88/552245288.db2.gz XIZVBUCCRNSCJZ-KRWDZBQOSA-N 1 2 388.265 2.988 20 30 GFEDLO COc1cc(C#N)ccc1C[N@@H+](C)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000181068001 552245292 /nfs/dbraw/zinc/24/52/92/552245292.db2.gz XIZVBUCCRNSCJZ-KRWDZBQOSA-N 1 2 388.265 2.988 20 30 GFEDLO N#Cc1ccc(OCC(=O)N2CC[NH+](Cc3cccs3)CC2)cc1Cl ZINC000190270865 552491687 /nfs/dbraw/zinc/49/16/87/552491687.db2.gz AXLXYSDKNDSFSM-UHFFFAOYSA-N 1 2 375.881 2.996 20 30 GFEDLO C[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccccc2C#N)[C@H]1c1ccc(Cl)cc1 ZINC000245626894 553093922 /nfs/dbraw/zinc/09/39/22/553093922.db2.gz QXHVNCZHGQHSDL-SJLPKXTDSA-N 1 2 375.881 2.935 20 30 GFEDLO C[N@H+]1CC[C@@H](NS(=O)(=O)c2ccccc2C#N)[C@H]1c1ccc(Cl)cc1 ZINC000245626894 553093925 /nfs/dbraw/zinc/09/39/25/553093925.db2.gz QXHVNCZHGQHSDL-SJLPKXTDSA-N 1 2 375.881 2.935 20 30 GFEDLO C[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000249745825 553146322 /nfs/dbraw/zinc/14/63/22/553146322.db2.gz ZNXHNZQFVBAWFY-KBAYOESNSA-N 1 2 382.291 2.692 20 30 GFEDLO C[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000249745825 553146324 /nfs/dbraw/zinc/14/63/24/553146324.db2.gz ZNXHNZQFVBAWFY-KBAYOESNSA-N 1 2 382.291 2.692 20 30 GFEDLO C=CCOc1ccccc1C[NH2+]Cc1nn(C)cc1I ZINC000449605359 564192025 /nfs/dbraw/zinc/19/20/25/564192025.db2.gz MUXBCBQPIFXBSB-UHFFFAOYSA-N 1 2 383.233 2.879 20 30 GFEDLO [O-]C(N[C@@H]1CCc2[nH]c[nH+]c2C1)=[NH+][C@@H]1COc2cc(F)c(Br)cc21 ZINC000329631458 563484430 /nfs/dbraw/zinc/48/44/30/563484430.db2.gz VWQUQBKMIJDOPE-XLKFXECMSA-N 1 2 395.232 2.806 20 30 GFEDLO [O-]C(N[C@@H]1CCc2[nH+]c[nH]c2C1)=[NH+][C@@H]1COc2cc(F)c(Br)cc21 ZINC000329631458 563484434 /nfs/dbraw/zinc/48/44/34/563484434.db2.gz VWQUQBKMIJDOPE-XLKFXECMSA-N 1 2 395.232 2.806 20 30 GFEDLO O=C(N[C@@H]1COc2c1ccc(Cl)c2Cl)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000329694606 563485685 /nfs/dbraw/zinc/48/56/85/563485685.db2.gz BAGKTVKSYVANLG-BXUZGUMPSA-N 1 2 386.279 2.747 20 30 GFEDLO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)C[C@H]1C ZINC000330572795 563512098 /nfs/dbraw/zinc/51/20/98/563512098.db2.gz YZHKWNQLZSDWFB-VXGBXAGGSA-N 1 2 375.416 2.680 20 30 GFEDLO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)C[C@H]1C ZINC000330572795 563512101 /nfs/dbraw/zinc/51/21/01/563512101.db2.gz YZHKWNQLZSDWFB-VXGBXAGGSA-N 1 2 375.416 2.680 20 30 GFEDLO C[N@@H+]1CCO[C@H](CNC(=O)N[C@H](c2ccc(F)c(Cl)c2)C(F)(F)F)C1 ZINC000331315787 563545384 /nfs/dbraw/zinc/54/53/84/563545384.db2.gz FFHQZJHWXMPVTO-ZWNOBZJWSA-N 1 2 383.773 2.917 20 30 GFEDLO C[N@H+]1CCO[C@H](CNC(=O)N[C@H](c2ccc(F)c(Cl)c2)C(F)(F)F)C1 ZINC000331315787 563545387 /nfs/dbraw/zinc/54/53/87/563545387.db2.gz FFHQZJHWXMPVTO-ZWNOBZJWSA-N 1 2 383.773 2.917 20 30 GFEDLO C[C@H](CNS(=O)(=O)c1ccc(Cl)cc1C#N)[N@@H+]1CCc2sccc2C1 ZINC000443021245 563787930 /nfs/dbraw/zinc/78/79/30/563787930.db2.gz DCYDJGRDBSNCOB-GFCCVEGCSA-N 1 2 395.937 2.998 20 30 GFEDLO C[C@H](CNS(=O)(=O)c1ccc(Cl)cc1C#N)[N@H+]1CCc2sccc2C1 ZINC000443021245 563787931 /nfs/dbraw/zinc/78/79/31/563787931.db2.gz DCYDJGRDBSNCOB-GFCCVEGCSA-N 1 2 395.937 2.998 20 30 GFEDLO N#C[C@H]1CC[C@@H]([NH+]2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)C1 ZINC000293468908 563814223 /nfs/dbraw/zinc/81/42/23/563814223.db2.gz LRSGATVPCIVXNX-QWHCGFSZSA-N 1 2 388.320 2.992 20 30 GFEDLO Cc1nn(C)c(N2CC[NH+](Cc3ccc(C)cc3Br)CC2)c1C#N ZINC000471820845 564205136 /nfs/dbraw/zinc/20/51/36/564205136.db2.gz ISDWIGGRGLILMP-UHFFFAOYSA-N 1 2 388.313 2.993 20 30 GFEDLO N#CCc1ccc(S(=O)(=O)NCC[N@@H+]2CCc3sccc3C2)c(Cl)c1 ZINC000451108215 564275626 /nfs/dbraw/zinc/27/56/26/564275626.db2.gz WEAXFWRGBWZHKB-UHFFFAOYSA-N 1 2 395.937 2.804 20 30 GFEDLO N#CCc1ccc(S(=O)(=O)NCC[N@H+]2CCc3sccc3C2)c(Cl)c1 ZINC000451108215 564275629 /nfs/dbraw/zinc/27/56/29/564275629.db2.gz WEAXFWRGBWZHKB-UHFFFAOYSA-N 1 2 395.937 2.804 20 30 GFEDLO C=CCn1c(C)nnc1N1CC[NH+](Cc2ccc(Br)s2)CC1 ZINC000508920091 564276825 /nfs/dbraw/zinc/27/68/25/564276825.db2.gz SQSRKSIUEFQMRP-UHFFFAOYSA-N 1 2 382.331 2.919 20 30 GFEDLO N#Cc1ccc(OCC(=O)Nc2c[nH+]c3n2CCCC3)cc1Br ZINC000452332470 564405766 /nfs/dbraw/zinc/40/57/66/564405766.db2.gz MXIZDJOGNYNVSL-UHFFFAOYSA-N 1 2 375.226 2.871 20 30 GFEDLO N#CC1(CNC(=O)N(CCn2cc[nH+]c2)Cc2ccc(Br)o2)CC1 ZINC000568311792 564414190 /nfs/dbraw/zinc/41/41/90/564414190.db2.gz OQAGRBGNCNJHHX-UHFFFAOYSA-N 1 2 392.257 2.754 20 30 GFEDLO Cc1cc(Br)cn2cc(CCNC(=O)c3cc(C#N)cn3C)[nH+]c12 ZINC000546060539 564442002 /nfs/dbraw/zinc/44/20/02/564442002.db2.gz CGPZQJGMGDQDHO-UHFFFAOYSA-N 1 2 386.253 2.588 20 30 GFEDLO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H]2COc3c2ccc(Cl)c3Cl)nc1 ZINC000568992201 564444299 /nfs/dbraw/zinc/44/42/99/564444299.db2.gz ZNERDFOTYVWTCQ-ZDUSSCGKSA-N 1 2 398.271 2.757 20 30 GFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCOc1ccc(Cl)cc1Br ZINC000519543761 564580691 /nfs/dbraw/zinc/58/06/91/564580691.db2.gz NGOZRDSGSMSWOT-OAHLLOKOSA-N 1 2 388.693 2.831 20 30 GFEDLO C=C(C)[C@@H](CC(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1)OCC ZINC000456993932 564642146 /nfs/dbraw/zinc/64/21/46/564642146.db2.gz YKHAQGAZEGVTDU-OAHLLOKOSA-N 1 2 398.301 2.991 20 30 GFEDLO C=C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000489497481 564741927 /nfs/dbraw/zinc/74/19/27/564741927.db2.gz OUAJULLBDHRQDP-CQSZACIVSA-N 1 2 385.917 2.569 20 30 GFEDLO C=C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000489497481 564741929 /nfs/dbraw/zinc/74/19/29/564741929.db2.gz OUAJULLBDHRQDP-CQSZACIVSA-N 1 2 385.917 2.569 20 30 GFEDLO COCC[N@H+](CC(=O)NC1(C#N)CCC1)Cc1cc(Br)cs1 ZINC000553912901 564745451 /nfs/dbraw/zinc/74/54/51/564745451.db2.gz KXOBNKAGPGSZTC-UHFFFAOYSA-N 1 2 386.315 2.521 20 30 GFEDLO COCC[N@@H+](CC(=O)NC1(C#N)CCC1)Cc1cc(Br)cs1 ZINC000553912901 564745453 /nfs/dbraw/zinc/74/54/53/564745453.db2.gz KXOBNKAGPGSZTC-UHFFFAOYSA-N 1 2 386.315 2.521 20 30 GFEDLO C=CCN1CC[C@@H]([NH+]2CCN(CCc3ccc(Cl)c(Cl)c3)CC2)C1=O ZINC000499597096 564931056 /nfs/dbraw/zinc/93/10/56/564931056.db2.gz BUVXYYWBAUCANM-GOSISDBHSA-N 1 2 382.335 2.940 20 30 GFEDLO C=CCN1CC[C@@H](N2CC[NH+](CCc3ccc(Cl)c(Cl)c3)CC2)C1=O ZINC000499597096 564931060 /nfs/dbraw/zinc/93/10/60/564931060.db2.gz BUVXYYWBAUCANM-GOSISDBHSA-N 1 2 382.335 2.940 20 30 GFEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)C1=O ZINC000499938434 564941207 /nfs/dbraw/zinc/94/12/07/564941207.db2.gz JXROWOCVMNWMEL-HOTGVXAUSA-N 1 2 382.291 2.817 20 30 GFEDLO C=CCN1CC[C@H]([N@H+](C)[C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)C1=O ZINC000499938434 564941210 /nfs/dbraw/zinc/94/12/10/564941210.db2.gz JXROWOCVMNWMEL-HOTGVXAUSA-N 1 2 382.291 2.817 20 30 GFEDLO CS(=O)(=O)[C@@H]1CCC[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000502811723 565006012 /nfs/dbraw/zinc/00/60/12/565006012.db2.gz YIKPAMHQIJNHDT-MRXNPFEDSA-N 1 2 375.412 2.836 20 30 GFEDLO CS(=O)(=O)[C@@H]1CCC[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000502811723 565006014 /nfs/dbraw/zinc/00/60/14/565006014.db2.gz YIKPAMHQIJNHDT-MRXNPFEDSA-N 1 2 375.412 2.836 20 30 GFEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCSC[C@H]1CCO ZINC000470200971 565040533 /nfs/dbraw/zinc/04/05/33/565040533.db2.gz FDUUJATXWDSUMD-LSDHHAIUSA-N 1 2 379.551 2.819 20 30 GFEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCSC[C@H]1CCO ZINC000470200971 565040538 /nfs/dbraw/zinc/04/05/38/565040538.db2.gz FDUUJATXWDSUMD-LSDHHAIUSA-N 1 2 379.551 2.819 20 30 GFEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCSC[C@H]1CCO ZINC000470218255 565041871 /nfs/dbraw/zinc/04/18/71/565041871.db2.gz CYGRQMWVTUBBCS-HUUCEWRRSA-N 1 2 379.551 2.677 20 30 GFEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCSC[C@H]1CCO ZINC000470218255 565041874 /nfs/dbraw/zinc/04/18/74/565041874.db2.gz CYGRQMWVTUBBCS-HUUCEWRRSA-N 1 2 379.551 2.677 20 30 GFEDLO C=CCOCCC[NH+]1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000470717466 565054389 /nfs/dbraw/zinc/05/43/89/565054389.db2.gz SXKIDOYKFGTIEK-UHFFFAOYSA-N 1 2 393.336 2.892 20 30 GFEDLO COc1cc(C[N@@H+]2CC[C@@](O)(CC#N)C2)cc(Br)c1OC(F)F ZINC000592524115 565281141 /nfs/dbraw/zinc/28/11/41/565281141.db2.gz WAJQZMLFBOMREZ-HNNXBMFYSA-N 1 2 391.212 2.910 20 30 GFEDLO COc1cc(C[N@H+]2CC[C@@](O)(CC#N)C2)cc(Br)c1OC(F)F ZINC000592524115 565281143 /nfs/dbraw/zinc/28/11/43/565281143.db2.gz WAJQZMLFBOMREZ-HNNXBMFYSA-N 1 2 391.212 2.910 20 30 GFEDLO N#Cc1sccc1S(=O)(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000593531951 565338091 /nfs/dbraw/zinc/33/80/91/565338091.db2.gz WQFYJCYJKFWJJL-UHFFFAOYSA-N 1 2 379.482 2.655 20 30 GFEDLO N#Cc1sccc1S(=O)(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000593531951 565338095 /nfs/dbraw/zinc/33/80/95/565338095.db2.gz WQFYJCYJKFWJJL-UHFFFAOYSA-N 1 2 379.482 2.655 20 30 GFEDLO C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CCN(c2ccc(Br)cc2)CC1 ZINC000595723624 565488412 /nfs/dbraw/zinc/48/84/12/565488412.db2.gz ZTUWXGBAPUMIEC-CQSZACIVSA-N 1 2 391.313 2.522 20 30 GFEDLO N#Cc1nc(N2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)sc1Cl ZINC000596062454 565512228 /nfs/dbraw/zinc/51/22/28/565512228.db2.gz OYSUJNHPZBOMKT-UHFFFAOYSA-N 1 2 376.869 2.762 20 30 GFEDLO Cn1nccc1[C@@H]1c2[nH]c[nH+]c2CCN1Cc1cc(C#N)ccc1Br ZINC000599444940 565680048 /nfs/dbraw/zinc/68/00/48/565680048.db2.gz OJIMCQDYUMMQNK-GOSISDBHSA-N 1 2 397.280 2.925 20 30 GFEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(Oc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000735380112 598562410 /nfs/dbraw/zinc/56/24/10/598562410.db2.gz CEVGLXCKFJJEEO-IBGZPJMESA-N 1 2 388.431 2.695 20 30 GFEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(Oc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000735380112 598562411 /nfs/dbraw/zinc/56/24/11/598562411.db2.gz CEVGLXCKFJJEEO-IBGZPJMESA-N 1 2 388.431 2.695 20 30 GFEDLO C=CC[NH+](CC=C)CC(=O)Nc1c(-c2nn[nH]n2)c(C)c(C)n1-c1ccccc1 ZINC000819742895 599690227 /nfs/dbraw/zinc/69/02/27/599690227.db2.gz BMCZRSOSEZSUMR-UHFFFAOYSA-N 1 2 391.479 2.887 20 30 GFEDLO C=CCn1c(CC[NH+]2CCCCC2)nn(C[N@H+]2CCC[C@H]2CC(=O)[O-])c1=S ZINC000825710862 604978111 /nfs/dbraw/zinc/97/81/11/604978111.db2.gz FCUXNHOQTKJRMZ-INIZCTEOSA-N 1 2 393.557 2.525 20 30 GFEDLO C=CCn1c(CC[NH+]2CCCCC2)nn(C[N@@H+]2CCC[C@H]2CC(=O)[O-])c1=S ZINC000825710862 604978114 /nfs/dbraw/zinc/97/81/14/604978114.db2.gz FCUXNHOQTKJRMZ-INIZCTEOSA-N 1 2 393.557 2.525 20 30 GFEDLO N#Cc1cccc([C@@H]2C[N@H+](CCCOc3ccc(-c4nn[nH]n4)cc3)CCO2)c1 ZINC000826386653 608071412 /nfs/dbraw/zinc/07/14/12/608071412.db2.gz NHDDVGOISBISFV-FQEVSTJZSA-N 1 2 390.447 2.581 20 30 GFEDLO N#Cc1cccc([C@@H]2C[N@@H+](CCCOc3ccc(-c4nn[nH]n4)cc3)CCO2)c1 ZINC000826386653 608071413 /nfs/dbraw/zinc/07/14/13/608071413.db2.gz NHDDVGOISBISFV-FQEVSTJZSA-N 1 2 390.447 2.581 20 30 GFEDLO C=CC[N@H+](Cc1cnc2ccc(-c3nn[nH]n3)cn12)Cc1cccc([N+](=O)[O-])c1 ZINC000823919452 608652929 /nfs/dbraw/zinc/65/29/29/608652929.db2.gz GCZHBXOGATXAPJ-UHFFFAOYSA-N 1 2 390.407 2.611 20 30 GFEDLO C=CC[N@@H+](Cc1cnc2ccc(-c3nn[nH]n3)cn12)Cc1cccc([N+](=O)[O-])c1 ZINC000823919452 608652930 /nfs/dbraw/zinc/65/29/30/608652930.db2.gz GCZHBXOGATXAPJ-UHFFFAOYSA-N 1 2 390.407 2.611 20 30 GFEDLO CCN(CC)S(=O)(=O)c1ccc(N[NH2+]C=C2CC2(F)F)c([N+](=O)[O-])c1 ZINC000834915901 660837679 /nfs/dbraw/zinc/83/76/79/660837679.db2.gz QAPLDAKPCCNQKO-SNVBAGLBSA-N 1 2 376.385 2.678 20 30 GFEDLO N#Cc1cc(S(=O)(=O)NCC[N@@H+]2CCc3ccccc3C2)ccc1Cl ZINC000055583937 654778695 /nfs/dbraw/zinc/77/86/95/654778695.db2.gz RCNUIKOZPVWABD-UHFFFAOYSA-N 1 2 375.881 2.548 20 30 GFEDLO N#Cc1cc(S(=O)(=O)NCC[N@H+]2CCc3ccccc3C2)ccc1Cl ZINC000055583937 654778696 /nfs/dbraw/zinc/77/86/96/654778696.db2.gz RCNUIKOZPVWABD-UHFFFAOYSA-N 1 2 375.881 2.548 20 30 GFEDLO N#Cc1c(Br)cccc1OCC(=O)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000562680600 655424099 /nfs/dbraw/zinc/42/40/99/655424099.db2.gz MJVMPTKVWCBGNT-ZDUSSCGKSA-N 1 2 389.253 2.587 20 30 GFEDLO COc1cccc(OCC[NH+]2CCN(c3nc(C#N)c(Cl)s3)CC2)c1 ZINC000596168548 655514464 /nfs/dbraw/zinc/51/44/64/655514464.db2.gz OOGDEOAYFPGOPN-UHFFFAOYSA-N 1 2 378.885 2.878 20 30 GFEDLO C#CCNC(=O)[C@@H](C)[NH+]1CCN([C@H](CC)c2ccc(Br)cc2)CC1 ZINC000728931635 655560191 /nfs/dbraw/zinc/56/01/91/655560191.db2.gz XHAGXGKXDJGECP-CRAIPNDOSA-N 1 2 392.341 2.656 20 30 GFEDLO N#Cc1csc(/C=C2/SC(=S)N(CCC[NH+]3CCOCC3)C2=O)c1 ZINC000748662750 655793569 /nfs/dbraw/zinc/79/35/69/655793569.db2.gz VLWFPDHWYDSSAY-NTEUORMPSA-N 1 2 379.532 2.543 20 30 GFEDLO C[C@H](OC(=O)C[N@H+](C)[C@@H]1CCSC1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000772046213 656370984 /nfs/dbraw/zinc/37/09/84/656370984.db2.gz GVXIZDODIXRMNX-SMDDNHRTSA-N 1 2 381.885 2.519 20 30 GFEDLO C[C@H](OC(=O)C[N@@H+](C)[C@@H]1CCSC1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000772046213 656370987 /nfs/dbraw/zinc/37/09/87/656370987.db2.gz GVXIZDODIXRMNX-SMDDNHRTSA-N 1 2 381.885 2.519 20 30 GFEDLO CN(Cc1cccs1)C(=O)CO[NH+]=C(N)c1ccc(Br)cc1 ZINC000782947614 657196233 /nfs/dbraw/zinc/19/62/33/657196233.db2.gz CUOMASVBWSIPKR-UHFFFAOYSA-N 1 2 382.283 2.806 20 30 GFEDLO C#Cc1ccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Br)c2)nc1 ZINC000787381101 657549046 /nfs/dbraw/zinc/54/90/46/657549046.db2.gz DZRSTBBHFHHYSA-UHFFFAOYSA-N 1 2 399.292 2.830 20 30 GFEDLO C#C[C@H]1CCC[N@@H+](CN2C(=O)N[C@](C)(c3ccccc3Br)C2=O)C1 ZINC000848492652 661655430 /nfs/dbraw/zinc/65/54/30/661655430.db2.gz HYYUEAWGGCCGBD-SCLBCKFNSA-N 1 2 390.281 2.519 20 30 GFEDLO C#C[C@H]1CCC[N@H+](CN2C(=O)N[C@](C)(c3ccccc3Br)C2=O)C1 ZINC000848492652 661655441 /nfs/dbraw/zinc/65/54/41/661655441.db2.gz HYYUEAWGGCCGBD-SCLBCKFNSA-N 1 2 390.281 2.519 20 30 GFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCC[C@@H]3CC3(Cl)Cl)CC2)cc1 ZINC000856887581 662049631 /nfs/dbraw/zinc/04/96/31/662049631.db2.gz BYXNQYZAKUJTOS-MRXNPFEDSA-N 1 2 381.307 2.969 20 30 GFEDLO N#Cc1csc(C[NH2+][C@@H]2CCc3cc(Br)ccc3NC2=O)n1 ZINC000883387336 663054703 /nfs/dbraw/zinc/05/47/03/663054703.db2.gz WGJAVHLFGQRSNR-CYBMUJFWSA-N 1 2 377.267 2.820 20 30 GFEDLO C#CC1(O)CCN(C(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)CC1 ZINC000899117920 663676486 /nfs/dbraw/zinc/67/64/86/663676486.db2.gz OKMAFXGALNFAGE-QGZVFWFLSA-N 1 2 391.309 2.573 20 30 GFEDLO C=CCNC(=O)[C@H](C)[NH+]1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932946239 664844195 /nfs/dbraw/zinc/84/41/95/664844195.db2.gz NTPSVIITGPOAAP-CIUDSAMLSA-N 1 2 380.279 2.780 20 30 GFEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(c2ccc(Br)cn2)CC1 ZINC000042146440 551138228 /nfs/dbraw/zinc/13/82/28/551138228.db2.gz OPCWBFIZKRUOPU-OAHLLOKOSA-N 1 2 393.329 2.555 20 30 GFEDLO C=CCC[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000121222916 551230041 /nfs/dbraw/zinc/23/00/41/551230041.db2.gz KOLYWYHCEWEWMB-CYBMUJFWSA-N 1 2 393.336 2.627 20 30 GFEDLO N#Cc1ccc(N2CCN(Cc3c[nH+]c4ccc(Br)cn34)CC2)nc1 ZINC000179985948 552208565 /nfs/dbraw/zinc/20/85/65/552208565.db2.gz JHOKSQGNNPPDRP-UHFFFAOYSA-N 1 2 397.280 2.686 20 30 GFEDLO CC[C@H](C)NC(=O)C[NH+]1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000181439062 552256548 /nfs/dbraw/zinc/25/65/48/552256548.db2.gz BPGUSRXQUGEKLI-WMLDXEAASA-N 1 2 393.329 2.546 20 30 GFEDLO CC(=O)NC(C)(C)C(N)=[NH+]OCc1ccc(Br)c2cccnc12 ZINC000182929762 552296376 /nfs/dbraw/zinc/29/63/76/552296376.db2.gz YFVYJQYCJGZNJE-UHFFFAOYSA-N 1 2 379.258 2.701 20 30 GFEDLO N#Cc1ccc(N2CC[NH+](Cc3cc(Br)cc4c3OCC4)CC2)nc1 ZINC000184835411 552345385 /nfs/dbraw/zinc/34/53/85/552345385.db2.gz KYHZBMLOUABEAA-UHFFFAOYSA-N 1 2 399.292 2.973 20 30 GFEDLO N#Cc1ccc(Cl)c(S(=O)(=O)NCC[N@@H+]2CCc3ccccc3C2)c1 ZINC000186245952 552382549 /nfs/dbraw/zinc/38/25/49/552382549.db2.gz ZVNDHXPDBYCDFK-UHFFFAOYSA-N 1 2 375.881 2.548 20 30 GFEDLO N#Cc1ccc(Cl)c(S(=O)(=O)NCC[N@H+]2CCc3ccccc3C2)c1 ZINC000186245952 552382553 /nfs/dbraw/zinc/38/25/53/552382553.db2.gz ZVNDHXPDBYCDFK-UHFFFAOYSA-N 1 2 375.881 2.548 20 30 GFEDLO C[C@H](CNS(=O)(=O)c1cc(C#N)ccc1Cl)[N@@H+]1CCc2sccc2C1 ZINC000186257838 552383327 /nfs/dbraw/zinc/38/33/27/552383327.db2.gz MQADXWDNQRJIIM-GFCCVEGCSA-N 1 2 395.937 2.998 20 30 GFEDLO C[C@H](CNS(=O)(=O)c1cc(C#N)ccc1Cl)[N@H+]1CCc2sccc2C1 ZINC000186257838 552383328 /nfs/dbraw/zinc/38/33/28/552383328.db2.gz MQADXWDNQRJIIM-GFCCVEGCSA-N 1 2 395.937 2.998 20 30 GFEDLO N#Cc1ccnc(N2CC[NH+](C[C@@H](O)c3cccc(Br)c3)CC2)c1 ZINC000298320551 563350965 /nfs/dbraw/zinc/35/09/65/563350965.db2.gz ZQJXRGXFPYYLMS-QGZVFWFLSA-N 1 2 387.281 2.571 20 30 GFEDLO Cn1[nH]c(C[NH+]2CCC(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)nc1=O ZINC000329559519 563482737 /nfs/dbraw/zinc/48/27/37/563482737.db2.gz FPDKJFGQNLFWNX-UHFFFAOYSA-N 1 2 384.267 2.915 20 30 GFEDLO O=C(N[C@H]1CCOc2ccc(Br)cc21)N1CCn2cc[nH+]c2C1 ZINC000329843117 563490243 /nfs/dbraw/zinc/49/02/43/563490243.db2.gz NZYDNQMUOWCOQC-ZDUSSCGKSA-N 1 2 377.242 2.899 20 30 GFEDLO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)C[C@H]1C ZINC000330536060 563509765 /nfs/dbraw/zinc/50/97/65/563509765.db2.gz FCPIDNWJJMEGDD-VXGBXAGGSA-N 1 2 375.416 2.680 20 30 GFEDLO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)C[C@H]1C ZINC000330536060 563509767 /nfs/dbraw/zinc/50/97/67/563509767.db2.gz FCPIDNWJJMEGDD-VXGBXAGGSA-N 1 2 375.416 2.680 20 30 GFEDLO COc1cc(Br)cc(NC(=O)NCC[N@@H+]2CCOCC2(C)C)c1 ZINC000330591606 563512857 /nfs/dbraw/zinc/51/28/57/563512857.db2.gz ZIOWQHRNCRZAPW-UHFFFAOYSA-N 1 2 386.290 2.894 20 30 GFEDLO COc1cc(Br)cc(NC(=O)NCC[N@H+]2CCOCC2(C)C)c1 ZINC000330591606 563512860 /nfs/dbraw/zinc/51/28/60/563512860.db2.gz ZIOWQHRNCRZAPW-UHFFFAOYSA-N 1 2 386.290 2.894 20 30 GFEDLO C[C@H]([NH2+][C@H]1CCC[C@@H]1C#N)C(=O)Nc1ccc(I)cc1 ZINC000331356916 563547229 /nfs/dbraw/zinc/54/72/29/563547229.db2.gz SNQPFEGJPKGZFX-WDMOLILDSA-N 1 2 383.233 2.900 20 30 GFEDLO CC(C)N1C(=O)N[C@@H]2C[N@@H+](Cc3cc(C#N)ccc3Br)CC[C@@H]21 ZINC000286085267 563548377 /nfs/dbraw/zinc/54/83/77/563548377.db2.gz UYBYNHKLEXCTED-CVEARBPZSA-N 1 2 377.286 2.697 20 30 GFEDLO CC(C)N1C(=O)N[C@@H]2C[N@H+](Cc3cc(C#N)ccc3Br)CC[C@@H]21 ZINC000286085267 563548380 /nfs/dbraw/zinc/54/83/80/563548380.db2.gz UYBYNHKLEXCTED-CVEARBPZSA-N 1 2 377.286 2.697 20 30 GFEDLO CN(C)c1cc(C#N)cc(C(=O)NCc2cn3cc(Br)ccc3[nH+]2)c1 ZINC000432641873 563589643 /nfs/dbraw/zinc/58/96/43/563589643.db2.gz CCKAQYBREGUKTM-UHFFFAOYSA-N 1 2 398.264 2.964 20 30 GFEDLO C[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(C#N)s2)[C@@H]1c1ccc(Cl)cc1 ZINC000333243924 563625363 /nfs/dbraw/zinc/62/53/63/563625363.db2.gz IYFRCJCWFVRRNI-HOCLYGCPSA-N 1 2 381.910 2.997 20 30 GFEDLO C[N@H+]1CC[C@H](NS(=O)(=O)c2ccc(C#N)s2)[C@@H]1c1ccc(Cl)cc1 ZINC000333243924 563625365 /nfs/dbraw/zinc/62/53/65/563625365.db2.gz IYFRCJCWFVRRNI-HOCLYGCPSA-N 1 2 381.910 2.997 20 30 GFEDLO C#CC[N@H+](C[C@H]1CCS(=O)(=O)C1)[C@H]1CCOc2ccc(Br)cc21 ZINC000365001374 563771327 /nfs/dbraw/zinc/77/13/27/563771327.db2.gz MVRWFBMDIPVNJG-CJNGLKHVSA-N 1 2 398.322 2.643 20 30 GFEDLO C#CC[N@@H+](C[C@H]1CCS(=O)(=O)C1)[C@H]1CCOc2ccc(Br)cc21 ZINC000365001374 563771329 /nfs/dbraw/zinc/77/13/29/563771329.db2.gz MVRWFBMDIPVNJG-CJNGLKHVSA-N 1 2 398.322 2.643 20 30 GFEDLO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]CC1(C#N)CCC1 ZINC000418144954 563899901 /nfs/dbraw/zinc/89/99/01/563899901.db2.gz WBHBEAUEENLUNK-GFCCVEGCSA-N 1 2 380.286 2.746 20 30 GFEDLO CC[N@@H+](Cc1cc(Br)ccc1O[C@@H](C)C(=O)NC)C[C@H](C)C#N ZINC000449018510 563905423 /nfs/dbraw/zinc/90/54/23/563905423.db2.gz SJCPKEGYSPAFRI-OLZOCXBDSA-N 1 2 382.302 2.944 20 30 GFEDLO CC[N@H+](Cc1cc(Br)ccc1O[C@@H](C)C(=O)NC)C[C@H](C)C#N ZINC000449018510 563905426 /nfs/dbraw/zinc/90/54/26/563905426.db2.gz SJCPKEGYSPAFRI-OLZOCXBDSA-N 1 2 382.302 2.944 20 30 GFEDLO C[N@@H+]1CCN(S(=O)(=O)c2cccc(Cl)c2C#N)[C@H](c2ccccc2)C1 ZINC000506217751 564198923 /nfs/dbraw/zinc/19/89/23/564198923.db2.gz URPSCVSNINKFKH-KRWDZBQOSA-N 1 2 375.881 2.889 20 30 GFEDLO C[N@H+]1CCN(S(=O)(=O)c2cccc(Cl)c2C#N)[C@H](c2ccccc2)C1 ZINC000506217751 564198925 /nfs/dbraw/zinc/19/89/25/564198925.db2.gz URPSCVSNINKFKH-KRWDZBQOSA-N 1 2 375.881 2.889 20 30 GFEDLO N#Cc1c(Br)cccc1OCC(=O)NC[C@@H]1CCCn2cc[nH+]c21 ZINC000450185465 564220514 /nfs/dbraw/zinc/22/05/14/564220514.db2.gz SGZWEJSZBDBNTQ-LBPRGKRZSA-N 1 2 389.253 2.590 20 30 GFEDLO N#Cc1c(Br)cccc1OCC(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000450368299 564229598 /nfs/dbraw/zinc/22/95/98/564229598.db2.gz GAUKYZBTYBVOIR-CYBMUJFWSA-N 1 2 375.226 2.786 20 30 GFEDLO C=C(C)CC[NH+]1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000509278158 564290931 /nfs/dbraw/zinc/29/09/31/564290931.db2.gz XOWRDHQXRRXHCE-UHFFFAOYSA-N 1 2 379.345 2.783 20 30 GFEDLO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1sccc1C#N)c1ccccc1Cl ZINC000511931211 564386400 /nfs/dbraw/zinc/38/64/00/564386400.db2.gz UYXNMFVZIPOBPC-CQSZACIVSA-N 1 2 376.869 2.631 20 30 GFEDLO CCOC(=O)c1sc([C@H](C)[NH2+]CC(=O)Nc2sccc2C#N)nc1C ZINC000544514380 564387460 /nfs/dbraw/zinc/38/74/60/564387460.db2.gz YNOUFBASVWSAFR-JTQLQIEISA-N 1 2 378.479 2.851 20 30 GFEDLO C[NH+](C)[C@H](CNS(=O)(=O)Cc1ccc(C#N)cc1)c1ccccc1Cl ZINC000514843327 564459801 /nfs/dbraw/zinc/45/98/01/564459801.db2.gz QVVNOPDRYNWTQI-GOSISDBHSA-N 1 2 377.897 2.934 20 30 GFEDLO C[C@H]1C[C@@H](NC(=O)COc2ccc(C#N)c(Br)c2)c2[nH+]ccn21 ZINC000518324511 564550708 /nfs/dbraw/zinc/55/07/08/564550708.db2.gz ZHGIJPDTITVYRV-IINYFYTJSA-N 1 2 375.226 2.718 20 30 GFEDLO N#Cc1ccc(NC(=O)C[N@@H+](CCO)Cc2cccc(Br)c2)cc1 ZINC000488206430 564706261 /nfs/dbraw/zinc/70/62/61/564706261.db2.gz ZQPVLAWOZCIFGM-UHFFFAOYSA-N 1 2 388.265 2.754 20 30 GFEDLO N#Cc1ccc(NC(=O)C[N@H+](CCO)Cc2cccc(Br)c2)cc1 ZINC000488206430 564706265 /nfs/dbraw/zinc/70/62/65/564706265.db2.gz ZQPVLAWOZCIFGM-UHFFFAOYSA-N 1 2 388.265 2.754 20 30 GFEDLO C[N@H+](CCS(=O)(=O)c1ccc(C#N)cn1)Cc1ccc(Br)cc1 ZINC000554740223 564771695 /nfs/dbraw/zinc/77/16/95/564771695.db2.gz CRQZGBQYMRYBPZ-UHFFFAOYSA-N 1 2 394.294 2.621 20 30 GFEDLO C[N@@H+](CCS(=O)(=O)c1ccc(C#N)cn1)Cc1ccc(Br)cc1 ZINC000554740223 564771699 /nfs/dbraw/zinc/77/16/99/564771699.db2.gz CRQZGBQYMRYBPZ-UHFFFAOYSA-N 1 2 394.294 2.621 20 30 GFEDLO N#Cc1ccc(S(=O)(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)o1 ZINC000557795307 564876985 /nfs/dbraw/zinc/87/69/85/564876985.db2.gz JMUPVHNBESMFFO-MRXNPFEDSA-N 1 2 379.869 2.920 20 30 GFEDLO C=CCOCC[NH+]1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000583859866 564909668 /nfs/dbraw/zinc/90/96/68/564909668.db2.gz RCAQMUFBNCFYKH-UHFFFAOYSA-N 1 2 379.309 2.502 20 30 GFEDLO C=CCCN(C)C(=O)C[NH+]1CCN(Cc2ccc(Br)cc2F)CC1 ZINC000469883850 565030985 /nfs/dbraw/zinc/03/09/85/565030985.db2.gz XLSVYDRYSSWALY-UHFFFAOYSA-N 1 2 398.320 2.740 20 30 GFEDLO N#Cc1cc(Br)ccc1CC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000593020955 565307750 /nfs/dbraw/zinc/30/77/50/565307750.db2.gz XEKMAPJEONBKFF-UHFFFAOYSA-N 1 2 399.292 2.603 20 30 GFEDLO C[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccsc2C#N)[C@H]1c1ccc(Cl)cc1 ZINC000593571541 565342761 /nfs/dbraw/zinc/34/27/61/565342761.db2.gz UTQWTGWUUZKORU-CZUORRHYSA-N 1 2 381.910 2.997 20 30 GFEDLO CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCN(c2ccc(Br)cc2)CC1 ZINC000595722763 565488267 /nfs/dbraw/zinc/48/82/67/565488267.db2.gz IEVDMUFZPMBLCD-OAHLLOKOSA-N 1 2 393.329 2.579 20 30 GFEDLO N#Cc1cc(Br)cnc1NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000601240509 565772219 /nfs/dbraw/zinc/77/22/19/565772219.db2.gz JTJCJJPBIJWUHI-UHFFFAOYSA-N 1 2 390.310 2.698 20 30 GFEDLO C[C@H]1C[NH+](Cc2nnc(-c3ccccc3Br)o2)C[C@H](C)N1CC#N ZINC000602854931 565869904 /nfs/dbraw/zinc/86/99/04/565869904.db2.gz FEAMNZPDBWPLIT-STQMWFEESA-N 1 2 390.285 2.917 20 30 GFEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CC[C@@H](c2cc(=O)[nH]c(=O)[nH]2)C1 ZINC000602866193 565871531 /nfs/dbraw/zinc/87/15/31/565871531.db2.gz UYQRHEBOILWTRE-LLVKDONJSA-N 1 2 375.226 2.511 20 30 GFEDLO N#Cc1cc(Br)ccc1C[N@H+]1CC[C@@H](c2cc(=O)[nH]c(=O)[nH]2)C1 ZINC000602866193 565871534 /nfs/dbraw/zinc/87/15/34/565871534.db2.gz UYQRHEBOILWTRE-LLVKDONJSA-N 1 2 375.226 2.511 20 30 GFEDLO C=CCSCCNC(=O)N1CC[NH+]([C@H](CO)c2ccc(Cl)cc2)CC1 ZINC000609565617 566044770 /nfs/dbraw/zinc/04/47/70/566044770.db2.gz MPRCNHPOSQLEPN-QGZVFWFLSA-N 1 2 383.945 2.620 20 30 GFEDLO N#Cc1cc(Br)ccc1NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000611925394 566144980 /nfs/dbraw/zinc/14/49/80/566144980.db2.gz ZZDYJTAKTOORIG-UHFFFAOYSA-N 1 2 391.313 2.677 20 30 GFEDLO N#Cc1cccc(-c2nnc(C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C3CC3)o2)c1 ZINC000822836939 599568393 /nfs/dbraw/zinc/56/83/93/599568393.db2.gz BEWPVEPPVJQHKQ-UHFFFAOYSA-N 1 2 398.430 2.953 20 30 GFEDLO N#Cc1cccc(-c2nnc(C[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C3CC3)o2)c1 ZINC000822836939 599568395 /nfs/dbraw/zinc/56/83/95/599568395.db2.gz BEWPVEPPVJQHKQ-UHFFFAOYSA-N 1 2 398.430 2.953 20 30 GFEDLO CC[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)o2)[C@H](CC)CN1Cc1ccc(C#N)o1 ZINC000825212940 608857298 /nfs/dbraw/zinc/85/72/98/608857298.db2.gz VADHXQKPTCPUJS-HUUCEWRRSA-N 1 2 395.467 2.799 20 30 GFEDLO CC[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)o2)[C@H](CC)CN1Cc1ccc(C#N)o1 ZINC000825212940 608857301 /nfs/dbraw/zinc/85/73/01/608857301.db2.gz VADHXQKPTCPUJS-HUUCEWRRSA-N 1 2 395.467 2.799 20 30 GFEDLO N#Cc1ccnc(N2CC[NH+](C[C@@H](O)c3ccccc3Br)CC2)c1 ZINC000269889392 655026203 /nfs/dbraw/zinc/02/62/03/655026203.db2.gz QTKPQXCVCCKGGG-QGZVFWFLSA-N 1 2 387.281 2.571 20 30 GFEDLO C=CC[N@@H+](CCCS(=O)(=O)NC)Cc1cc(Br)ccc1F ZINC000111210789 655166425 /nfs/dbraw/zinc/16/64/25/655166425.db2.gz MLVHUDBZGAKBKE-UHFFFAOYSA-N 1 2 379.295 2.516 20 30 GFEDLO C=CC[N@H+](CCCS(=O)(=O)NC)Cc1cc(Br)ccc1F ZINC000111210789 655166429 /nfs/dbraw/zinc/16/64/29/655166429.db2.gz MLVHUDBZGAKBKE-UHFFFAOYSA-N 1 2 379.295 2.516 20 30 GFEDLO C#CC[N@@H+](CCN1CCOC1=O)[C@H]1CCOc2ccc(Br)cc21 ZINC000733613657 655618468 /nfs/dbraw/zinc/61/84/68/655618468.db2.gz FUMQQTAXSGGTPK-HNNXBMFYSA-N 1 2 379.254 2.660 20 30 GFEDLO C#CC[N@H+](CCN1CCOC1=O)[C@H]1CCOc2ccc(Br)cc21 ZINC000733613657 655618469 /nfs/dbraw/zinc/61/84/69/655618469.db2.gz FUMQQTAXSGGTPK-HNNXBMFYSA-N 1 2 379.254 2.660 20 30 GFEDLO Brc1ccc(CN[NH+]=Cc2cnc(N3CCOCC3)s2)cc1 ZINC000755683911 655887214 /nfs/dbraw/zinc/88/72/14/655887214.db2.gz VSKWCQIQLLOEMW-UHFFFAOYSA-N 1 2 381.299 2.866 20 30 GFEDLO C#CCOc1cccc(Cl)c1C[NH+]1CCC(N(C)S(=O)(=O)CC)CC1 ZINC000779157791 656902635 /nfs/dbraw/zinc/90/26/35/656902635.db2.gz SUYVMYHNINBNAR-UHFFFAOYSA-N 1 2 384.929 2.598 20 30 GFEDLO CCOC(=O)COc1c(Br)cc(C)cc1C=NNc1[nH+]ccn1C ZINC000790303009 657950410 /nfs/dbraw/zinc/95/04/10/657950410.db2.gz PKLMKVQDIRKLOT-UHFFFAOYSA-N 1 2 395.257 2.879 20 30 GFEDLO C[N@H+](CC(F)F)C1CCN(C(=O)CCOCC(F)(F)C(F)(F)F)CC1 ZINC000790680230 658012696 /nfs/dbraw/zinc/01/26/96/658012696.db2.gz VQKBYRLVGKULBF-UHFFFAOYSA-N 1 2 382.320 2.779 20 30 GFEDLO C[N@@H+](CC(F)F)C1CCN(C(=O)CCOCC(F)(F)C(F)(F)F)CC1 ZINC000790680230 658012705 /nfs/dbraw/zinc/01/27/05/658012705.db2.gz VQKBYRLVGKULBF-UHFFFAOYSA-N 1 2 382.320 2.779 20 30 GFEDLO C#C[C@H]1CCC[N@@H+](Cn2c3cc(S(=O)(=O)N(C)C)ccc3oc2=S)C1 ZINC000848493558 661655931 /nfs/dbraw/zinc/65/59/31/661655931.db2.gz OVVDDQNCCOHRBS-ZDUSSCGKSA-N 1 2 379.507 2.517 20 30 GFEDLO C#C[C@H]1CCC[N@H+](Cn2c3cc(S(=O)(=O)N(C)C)ccc3oc2=S)C1 ZINC000848493558 661655934 /nfs/dbraw/zinc/65/59/34/661655934.db2.gz OVVDDQNCCOHRBS-ZDUSSCGKSA-N 1 2 379.507 2.517 20 30 GFEDLO N#Cc1cccc(C[NH+]2CCC(n3nncc3I)CC2)c1 ZINC000852532136 661866368 /nfs/dbraw/zinc/86/63/68/661866368.db2.gz CILUJAGYMIRYLW-UHFFFAOYSA-N 1 2 393.232 2.591 20 30 GFEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)c1 ZINC000931919796 664807370 /nfs/dbraw/zinc/80/73/70/664807370.db2.gz SVODVLSZUOJJEK-CQSZACIVSA-N 1 2 376.375 2.698 20 30 GFEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)c1 ZINC000931919796 664807371 /nfs/dbraw/zinc/80/73/71/664807371.db2.gz SVODVLSZUOJJEK-CQSZACIVSA-N 1 2 376.375 2.698 20 30 GFEDLO N#Cc1nc(Cl)ccc1C(F)(F)N1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001164676445 719564798 /nfs/dbraw/zinc/56/47/98/719564798.db2.gz BOPNYZJYCGGAEJ-UHFFFAOYSA-N 1 2 390.781 2.947 20 30 GFEDLO N#CCCCC[NH+]1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000058372288 551183088 /nfs/dbraw/zinc/18/30/88/551183088.db2.gz JPMQEXLLQKRZQW-UHFFFAOYSA-N 1 2 392.344 2.511 20 30 GFEDLO C=CC[N@@H+](CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)Cc1cccs1 ZINC000121318428 551231883 /nfs/dbraw/zinc/23/18/83/551231883.db2.gz CNCDJHVVYWWHCR-UHFFFAOYSA-N 1 2 399.925 2.676 20 30 GFEDLO C=CC[N@H+](CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)Cc1cccs1 ZINC000121318428 551231886 /nfs/dbraw/zinc/23/18/86/551231886.db2.gz CNCDJHVVYWWHCR-UHFFFAOYSA-N 1 2 399.925 2.676 20 30 GFEDLO Cc1cc(Br)cn2cc(CNC(=O)N[C@@H]3CC[C@H](C#N)C3)[nH+]c12 ZINC000425604567 563428420 /nfs/dbraw/zinc/42/84/20/563428420.db2.gz BAQNOSOKLFNPAT-WCQYABFASA-N 1 2 376.258 2.897 20 30 GFEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)N=c3[nH]c4c(cccc4Br)s3)C[C@@H]21 ZINC000329468653 563480496 /nfs/dbraw/zinc/48/04/96/563480496.db2.gz XMCDKFNXXWEOSP-QWRGUYRKSA-N 1 2 397.298 2.619 20 30 GFEDLO C[N@H+]1CCO[C@H]2CN(C(=O)N=c3[nH]c4c(cccc4Br)s3)C[C@@H]21 ZINC000329468653 563480498 /nfs/dbraw/zinc/48/04/98/563480498.db2.gz XMCDKFNXXWEOSP-QWRGUYRKSA-N 1 2 397.298 2.619 20 30 GFEDLO CCC(=O)N1CSC[C@H]1C(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000329994766 563493435 /nfs/dbraw/zinc/49/34/35/563493435.db2.gz ZOQZCXXWEFZGFT-YDHLFZDLSA-N 1 2 385.530 2.929 20 30 GFEDLO CCC(=O)N1CSC[C@H]1C(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000329994766 563493436 /nfs/dbraw/zinc/49/34/36/563493436.db2.gz ZOQZCXXWEFZGFT-YDHLFZDLSA-N 1 2 385.530 2.929 20 30 GFEDLO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(Cc2c(Br)cnn2C)CC1 ZINC000330273935 563500534 /nfs/dbraw/zinc/50/05/34/563500534.db2.gz ZYHFSVQJLIJFEY-ZDUSSCGKSA-N 1 2 398.349 2.588 20 30 GFEDLO COc1ccc(NC(=O)NCC[N@@H+]2CCOC(C)(C)C2)cc1Br ZINC000330690822 563518267 /nfs/dbraw/zinc/51/82/67/563518267.db2.gz AXHOLIKERCEQQQ-UHFFFAOYSA-N 1 2 386.290 2.894 20 30 GFEDLO COc1ccc(NC(=O)NCC[N@H+]2CCOC(C)(C)C2)cc1Br ZINC000330690822 563518269 /nfs/dbraw/zinc/51/82/69/563518269.db2.gz AXHOLIKERCEQQQ-UHFFFAOYSA-N 1 2 386.290 2.894 20 30 GFEDLO Cc1cc(Br)cn2cc(CNC(=O)NCC3(CC#N)CC3)[nH+]c12 ZINC000430912695 563550222 /nfs/dbraw/zinc/55/02/22/563550222.db2.gz NLVWJLOESVBIFX-UHFFFAOYSA-N 1 2 376.258 2.898 20 30 GFEDLO N#Cc1ccc(NC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)cc1Br ZINC000287050395 563584996 /nfs/dbraw/zinc/58/49/96/563584996.db2.gz ABPGINSKNFBGJI-OAHLLOKOSA-N 1 2 393.285 2.649 20 30 GFEDLO C=CCN1CC[C@H]([NH+]2CCN([C@@H](C)c3ccc(Br)cc3)CC2)C1=O ZINC000410385420 563589232 /nfs/dbraw/zinc/58/92/32/563589232.db2.gz WYSAWIKERNZCPZ-YJBOKZPZSA-N 1 2 392.341 2.915 20 30 GFEDLO CS(=O)(=O)C[C@@H]1CCC[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000433077512 563601619 /nfs/dbraw/zinc/60/16/19/563601619.db2.gz RUMHSVYHMSUCGS-OAHLLOKOSA-N 1 2 375.412 2.693 20 30 GFEDLO CS(=O)(=O)C[C@@H]1CCC[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000433077512 563601621 /nfs/dbraw/zinc/60/16/21/563601621.db2.gz RUMHSVYHMSUCGS-OAHLLOKOSA-N 1 2 375.412 2.693 20 30 GFEDLO C=CCOc1ccc(C[N@@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)cc1Cl ZINC000435032977 563641304 /nfs/dbraw/zinc/64/13/04/563641304.db2.gz HTITWHDRCMAYTO-INIZCTEOSA-N 1 2 384.929 2.905 20 30 GFEDLO C=CCOc1ccc(C[N@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)cc1Cl ZINC000435032977 563641305 /nfs/dbraw/zinc/64/13/05/563641305.db2.gz HTITWHDRCMAYTO-INIZCTEOSA-N 1 2 384.929 2.905 20 30 GFEDLO N#Cc1ccc(Br)cc1S(=O)(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000416423802 563827397 /nfs/dbraw/zinc/82/73/97/563827397.db2.gz XKVCVBDMZPXXOG-ZDUSSCGKSA-N 1 2 395.282 2.960 20 30 GFEDLO C=CCNC(=O)NC(=O)C[N@H+]1Cc2cccc(Br)c2C[C@@H]1CC ZINC000564406276 564232455 /nfs/dbraw/zinc/23/24/55/564232455.db2.gz OPLQURICIOLEKK-ZDUSSCGKSA-N 1 2 380.286 2.598 20 30 GFEDLO C=CCNC(=O)NC(=O)C[N@@H+]1Cc2cccc(Br)c2C[C@@H]1CC ZINC000564406276 564232458 /nfs/dbraw/zinc/23/24/58/564232458.db2.gz OPLQURICIOLEKK-ZDUSSCGKSA-N 1 2 380.286 2.598 20 30 GFEDLO C=CCNC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccc(I)cc1 ZINC000473983800 564260522 /nfs/dbraw/zinc/26/05/22/564260522.db2.gz SXKFSLHLMUPKJS-HNNXBMFYSA-N 1 2 399.276 2.741 20 30 GFEDLO C=CCNC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccc(I)cc1 ZINC000473983800 564260524 /nfs/dbraw/zinc/26/05/24/564260524.db2.gz SXKFSLHLMUPKJS-HNNXBMFYSA-N 1 2 399.276 2.741 20 30 GFEDLO C[C@@H](c1ccsc1)[NH+]1CCN(S(=O)(=O)Cc2ccc(C#N)cc2)CC1 ZINC000565444487 564281123 /nfs/dbraw/zinc/28/11/23/564281123.db2.gz QKKOLKDUWUYYTH-HNNXBMFYSA-N 1 2 375.519 2.828 20 30 GFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@H]1C[C@]12CCc1cc(Br)ccc12 ZINC000566917197 564349791 /nfs/dbraw/zinc/34/97/91/564349791.db2.gz AGXCKJIMSZUOBP-NJAFHUGGSA-N 1 2 376.298 2.613 20 30 GFEDLO CC[C@H](C)[NH+]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)CC1 ZINC000451972894 564373995 /nfs/dbraw/zinc/37/39/95/564373995.db2.gz PNGSVFUWKSOOEX-LBPRGKRZSA-N 1 2 375.416 2.682 20 30 GFEDLO N#Cc1cnn2cc(C[N@@H+]3CCO[C@H](c4ccc(Br)cc4)C3)cnc12 ZINC000568631984 564427907 /nfs/dbraw/zinc/42/79/07/564427907.db2.gz FCTRHRVJZIVBON-KRWDZBQOSA-N 1 2 398.264 2.937 20 30 GFEDLO N#Cc1cnn2cc(C[N@H+]3CCO[C@H](c4ccc(Br)cc4)C3)cnc12 ZINC000568631984 564427910 /nfs/dbraw/zinc/42/79/10/564427910.db2.gz FCTRHRVJZIVBON-KRWDZBQOSA-N 1 2 398.264 2.937 20 30 GFEDLO N#Cc1cc(C(=O)N(CCn2cc[nH+]c2)Cc2ccc(Br)o2)c[nH]1 ZINC000513524528 564431445 /nfs/dbraw/zinc/43/14/45/564431445.db2.gz IWZOQZVMUZGFHK-UHFFFAOYSA-N 1 2 388.225 2.781 20 30 GFEDLO Cc1cc(Br)cn2cc(CCNC(=O)c3ccc(C#N)cn3)[nH+]c12 ZINC000546061057 564442009 /nfs/dbraw/zinc/44/20/09/564442009.db2.gz OWQLDXLXXGMGBZ-UHFFFAOYSA-N 1 2 384.237 2.644 20 30 GFEDLO C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000569814441 564479161 /nfs/dbraw/zinc/47/91/61/564479161.db2.gz FRLOOICBSMPKHI-BONVTDFDSA-N 1 2 388.693 2.830 20 30 GFEDLO N#Cc1c(Br)cccc1NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000572689174 564605379 /nfs/dbraw/zinc/60/53/79/564605379.db2.gz QJKSCGSKIXQAFG-INIZCTEOSA-N 1 2 382.327 2.941 20 30 GFEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](CC)Cc1cc(Br)ccc1F ZINC000488641594 564716551 /nfs/dbraw/zinc/71/65/51/564716551.db2.gz KYHHYTPUUKXAEW-LLVKDONJSA-N 1 2 386.265 2.810 20 30 GFEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](CC)Cc1cc(Br)ccc1F ZINC000488641594 564716553 /nfs/dbraw/zinc/71/65/53/564716553.db2.gz KYHHYTPUUKXAEW-LLVKDONJSA-N 1 2 386.265 2.810 20 30 GFEDLO N#Cc1ccc(Br)c(C[N@@H+]2CCC[C@H]2C(=O)N2CCSCC2)c1 ZINC000492746532 564803428 /nfs/dbraw/zinc/80/34/28/564803428.db2.gz JWIFPWQAESQEJL-INIZCTEOSA-N 1 2 394.338 2.861 20 30 GFEDLO N#Cc1ccc(Br)c(C[N@H+]2CCC[C@H]2C(=O)N2CCSCC2)c1 ZINC000492746532 564803434 /nfs/dbraw/zinc/80/34/34/564803434.db2.gz JWIFPWQAESQEJL-INIZCTEOSA-N 1 2 394.338 2.861 20 30 GFEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCc2c(Br)cc(C)cc2C1 ZINC000494468977 564831472 /nfs/dbraw/zinc/83/14/72/564831472.db2.gz JFDTZVQKWGDQCL-LBPRGKRZSA-N 1 2 380.286 2.516 20 30 GFEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCc2c(Br)cc(C)cc2C1 ZINC000494468977 564831475 /nfs/dbraw/zinc/83/14/75/564831475.db2.gz JFDTZVQKWGDQCL-LBPRGKRZSA-N 1 2 380.286 2.516 20 30 GFEDLO CCOC(=O)C[C@@H]1C[C@H](OC)C[N@@H+]1Cc1ccc(Br)cc1C#N ZINC000558126172 564892705 /nfs/dbraw/zinc/89/27/05/564892705.db2.gz PAIHGEAPJSBWGI-HOTGVXAUSA-N 1 2 381.270 2.863 20 30 GFEDLO CCOC(=O)C[C@@H]1C[C@H](OC)C[N@H+]1Cc1ccc(Br)cc1C#N ZINC000558126172 564892709 /nfs/dbraw/zinc/89/27/09/564892709.db2.gz PAIHGEAPJSBWGI-HOTGVXAUSA-N 1 2 381.270 2.863 20 30 GFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCC[C@H](S(C)(=O)=O)CC1 ZINC000502841421 565006860 /nfs/dbraw/zinc/00/68/60/565006860.db2.gz JFOVLQMDEQHXLA-RDJZCZTQSA-N 1 2 384.567 2.550 20 30 GFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCC[C@H](S(C)(=O)=O)CC1 ZINC000502841421 565006861 /nfs/dbraw/zinc/00/68/61/565006861.db2.gz JFOVLQMDEQHXLA-RDJZCZTQSA-N 1 2 384.567 2.550 20 30 GFEDLO FC(F)C(F)(F)COCC[NH+]1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000469775873 565027475 /nfs/dbraw/zinc/02/74/75/565027475.db2.gz MWDJPLPGTAPUFT-UHFFFAOYSA-N 1 2 396.332 2.596 20 30 GFEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCc2cc(Br)cc(C)c2C1 ZINC000537126248 565053234 /nfs/dbraw/zinc/05/32/34/565053234.db2.gz HUOLWKLKZVXGIF-GFCCVEGCSA-N 1 2 380.286 2.516 20 30 GFEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCc2cc(Br)cc(C)c2C1 ZINC000537126248 565053235 /nfs/dbraw/zinc/05/32/35/565053235.db2.gz HUOLWKLKZVXGIF-GFCCVEGCSA-N 1 2 380.286 2.516 20 30 GFEDLO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCSC[C@H]2c2nccs2)cc1 ZINC000613751198 565078866 /nfs/dbraw/zinc/07/88/66/565078866.db2.gz JHOGKHGJHVGMKQ-RDJZCZTQSA-N 1 2 375.519 2.739 20 30 GFEDLO N#CCc1ccc(OC[C@@H](O)C[N@H+]2CCSC[C@H]2c2nccs2)cc1 ZINC000613751198 565078871 /nfs/dbraw/zinc/07/88/71/565078871.db2.gz JHOGKHGJHVGMKQ-RDJZCZTQSA-N 1 2 375.519 2.739 20 30 GFEDLO C=CCCn1cc(C[NH2+]Cc2cc(OC)c(OC)cc2Br)nn1 ZINC000657352316 565097080 /nfs/dbraw/zinc/09/70/80/565097080.db2.gz ZKHAYRXQEQRYJD-UHFFFAOYSA-N 1 2 381.274 2.924 20 30 GFEDLO C=CCCn1cc(C[NH2+][C@@H]2CCN(c3cccc(Br)c3)C2=O)nn1 ZINC000657451488 565101627 /nfs/dbraw/zinc/10/16/27/565101627.db2.gz VUYSLHUTIVBYNB-MRXNPFEDSA-N 1 2 390.285 2.512 20 30 GFEDLO Cc1c[nH]c(C(C)(C)NC(=O)COc2cccc(Br)c2C#N)[nH+]1 ZINC000593735251 565358353 /nfs/dbraw/zinc/35/83/53/565358353.db2.gz KOKKDZFWVRIJCC-UHFFFAOYSA-N 1 2 377.242 2.783 20 30 GFEDLO CCC[N@H+](CC(=O)Nc1oc(C)c(C)c1-c1nn[nH]n1)Cc1ccc(C#N)cc1 ZINC000821087835 607363802 /nfs/dbraw/zinc/36/38/02/607363802.db2.gz HFFPPGLETWECAH-UHFFFAOYSA-N 1 2 393.451 2.799 20 30 GFEDLO CCC[N@@H+](CC(=O)Nc1oc(C)c(C)c1-c1nn[nH]n1)Cc1ccc(C#N)cc1 ZINC000821087835 607363803 /nfs/dbraw/zinc/36/38/03/607363803.db2.gz HFFPPGLETWECAH-UHFFFAOYSA-N 1 2 393.451 2.799 20 30 GFEDLO Cc1[nH+]cc(CN=Nc2cc(-c3nn[nH]n3)cc(Cl)n2)n1-c1ccccc1 ZINC000826329402 608537393 /nfs/dbraw/zinc/53/73/93/608537393.db2.gz BCNPBXFRMACSMG-UHFFFAOYSA-N 1 2 379.815 2.855 20 30 GFEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000826380268 608748813 /nfs/dbraw/zinc/74/88/13/608748813.db2.gz SWRKOTPKGVPHPI-RTBURBONSA-N 1 2 384.447 2.786 20 30 GFEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000826380268 608748815 /nfs/dbraw/zinc/74/88/15/608748815.db2.gz SWRKOTPKGVPHPI-RTBURBONSA-N 1 2 384.447 2.786 20 30 GFEDLO Cc1c(C(=O)C=Cc2cccc3[nH+]ccn32)cnn1-c1ccc(-c2nn[nH]n2)cc1 ZINC000826234140 608753786 /nfs/dbraw/zinc/75/37/86/608753786.db2.gz JNEDWUFYNJIYSA-MDZDMXLPSA-N 1 2 396.414 2.905 20 30 GFEDLO CC[C@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)o2)[C@@H](CC)CN1Cc1ccc(C#N)o1 ZINC000825212939 608856397 /nfs/dbraw/zinc/85/63/97/608856397.db2.gz VADHXQKPTCPUJS-GJZGRUSLSA-N 1 2 395.467 2.799 20 30 GFEDLO CC[C@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)o2)[C@@H](CC)CN1Cc1ccc(C#N)o1 ZINC000825212939 608856404 /nfs/dbraw/zinc/85/64/04/608856404.db2.gz VADHXQKPTCPUJS-GJZGRUSLSA-N 1 2 395.467 2.799 20 30 GFEDLO C=C(Cl)CSc1nc(C)c(CC(=O)NCC[N@@H+]2CCO[C@H](C)C2)s1 ZINC000819211093 660250291 /nfs/dbraw/zinc/25/02/91/660250291.db2.gz ROGKGSMWOTTYQS-GFCCVEGCSA-N 1 2 389.974 2.676 20 30 GFEDLO C=C(Cl)CSc1nc(C)c(CC(=O)NCC[N@H+]2CCO[C@H](C)C2)s1 ZINC000819211093 660250296 /nfs/dbraw/zinc/25/02/96/660250296.db2.gz ROGKGSMWOTTYQS-GFCCVEGCSA-N 1 2 389.974 2.676 20 30 GFEDLO C#CC[NH+]1CCN(Cn2nc(Nc3ccc(OC)cc3)sc2=S)CC1 ZINC000124337881 654774395 /nfs/dbraw/zinc/77/43/95/654774395.db2.gz JNDAXCDILVJCAU-UHFFFAOYSA-N 1 2 375.523 2.635 20 30 GFEDLO C=CC[N@@H+](CCC(=O)Nc1c(Cl)cccc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000067400067 654937800 /nfs/dbraw/zinc/93/78/00/654937800.db2.gz RFXKSYSTTJUQQN-LBPRGKRZSA-N 1 2 391.320 2.997 20 30 GFEDLO C=CC[N@H+](CCC(=O)Nc1c(Cl)cccc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000067400067 654937802 /nfs/dbraw/zinc/93/78/02/654937802.db2.gz RFXKSYSTTJUQQN-LBPRGKRZSA-N 1 2 391.320 2.997 20 30 GFEDLO Cc1cc(Br)cn2cc(CCNS(=O)(=O)CCCCC#N)[nH+]c12 ZINC000273391570 655141806 /nfs/dbraw/zinc/14/18/06/655141806.db2.gz DLFDSODWEAAUJP-UHFFFAOYSA-N 1 2 399.314 2.561 20 30 GFEDLO C#CCC[NH+]1CCN(C(=O)c2ccn(-c3ccc(Cl)c(Cl)c3)n2)CC1 ZINC000730217255 655572473 /nfs/dbraw/zinc/57/24/73/655572473.db2.gz HGFGSKTWOUPMLN-UHFFFAOYSA-N 1 2 377.275 2.960 20 30 GFEDLO N#Cc1ccc(CN2CC[C@H]([NH2+]Cc3cccnc3Br)C2=O)cc1 ZINC000865542799 662427745 /nfs/dbraw/zinc/42/77/45/662427745.db2.gz XOZLZVGXOHJSFK-INIZCTEOSA-N 1 2 385.265 2.606 20 30 GFEDLO CC(C)NS(=O)(=O)c1cccc(C[NH2+]Cc2cc(C#N)cnc2Cl)c1 ZINC000876960565 662868704 /nfs/dbraw/zinc/86/87/04/662868704.db2.gz GKJKWXCFFIFCBZ-UHFFFAOYSA-N 1 2 378.885 2.583 20 30 GFEDLO O=C(Cc1c[nH+]c[nH]1)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000885284121 663088343 /nfs/dbraw/zinc/08/83/43/663088343.db2.gz RDFXRRDQONRWOR-YUMQZZPRSA-N 1 2 377.235 2.582 20 30 GFEDLO CS(=O)(=O)CCC[NH+]1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932943460 664843816 /nfs/dbraw/zinc/84/38/16/664843816.db2.gz UQMUNQSSFWMWLG-YUMQZZPRSA-N 1 2 389.308 2.524 20 30 GFEDLO N#Cc1cccnc1N1CCC[N@@H+](CC(=O)Nc2cc(Cl)ccc2F)CC1 ZINC000064633987 222076327 /nfs/dbraw/zinc/07/63/27/222076327.db2.gz AGZVUPHRRZIHDG-UHFFFAOYSA-N 1 2 387.846 2.897 20 30 GFEDLO N#Cc1cccnc1N1CCC[N@H+](CC(=O)Nc2cc(Cl)ccc2F)CC1 ZINC000064633987 222076331 /nfs/dbraw/zinc/07/63/31/222076331.db2.gz AGZVUPHRRZIHDG-UHFFFAOYSA-N 1 2 387.846 2.897 20 30 GFEDLO N#Cc1ccc(S(=O)(=O)NC2CCN(c3cccc[nH+]3)CC2)c(Cl)c1 ZINC000183501855 552310998 /nfs/dbraw/zinc/31/09/98/552310998.db2.gz KUMBSUQGCQRGFC-UHFFFAOYSA-N 1 2 376.869 2.554 20 30 GFEDLO N#C[C@@H](c1ccc(Br)cc1)N1CC[NH+](Cc2ccnc(N)c2)CC1 ZINC000193460927 552994097 /nfs/dbraw/zinc/99/40/97/552994097.db2.gz BBXMVGXGMXPPPP-KRWDZBQOSA-N 1 2 386.297 2.809 20 30 GFEDLO Cc1cc(I)ccc1NC(=O)C[NH+]1CCC(C#N)CC1 ZINC000195315467 553044993 /nfs/dbraw/zinc/04/49/93/553044993.db2.gz IQMRGRGXDLGISD-UHFFFAOYSA-N 1 2 383.233 2.774 20 30 GFEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCCC[C@H](S(C)(=O)=O)C1 ZINC000277693554 563221359 /nfs/dbraw/zinc/22/13/59/563221359.db2.gz HGMDGUDEYWRYTC-WBVHZDCISA-N 1 2 384.567 2.550 20 30 GFEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCCC[C@H](S(C)(=O)=O)C1 ZINC000277693554 563221360 /nfs/dbraw/zinc/22/13/60/563221360.db2.gz HGMDGUDEYWRYTC-WBVHZDCISA-N 1 2 384.567 2.550 20 30 GFEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCCC[C@@H](S(C)(=O)=O)C1 ZINC000277693548 563221572 /nfs/dbraw/zinc/22/15/72/563221572.db2.gz HGMDGUDEYWRYTC-NVXWUHKLSA-N 1 2 384.567 2.550 20 30 GFEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCCC[C@@H](S(C)(=O)=O)C1 ZINC000277693548 563221577 /nfs/dbraw/zinc/22/15/77/563221577.db2.gz HGMDGUDEYWRYTC-NVXWUHKLSA-N 1 2 384.567 2.550 20 30 GFEDLO COc1ccc(Br)c([C@H](CO)[N@H+](C)Cc2cc(C#N)n(C)c2)c1 ZINC000295106505 563229738 /nfs/dbraw/zinc/22/97/38/563229738.db2.gz VORHWGVLUBHXPM-KRWDZBQOSA-N 1 2 378.270 2.833 20 30 GFEDLO COc1ccc(Br)c([C@H](CO)[N@@H+](C)Cc2cc(C#N)n(C)c2)c1 ZINC000295106505 563229739 /nfs/dbraw/zinc/22/97/39/563229739.db2.gz VORHWGVLUBHXPM-KRWDZBQOSA-N 1 2 378.270 2.833 20 30 GFEDLO N#Cc1ccnc(N2CC[NH+](C[C@H](O)c3cccc(Br)c3)CC2)c1 ZINC000298320449 563350943 /nfs/dbraw/zinc/35/09/43/563350943.db2.gz ZQJXRGXFPYYLMS-KRWDZBQOSA-N 1 2 387.281 2.571 20 30 GFEDLO Cc1cc(NC[C@@H](CO)Cc2cc(F)cc(Br)c2)c(C#N)c[nH+]1 ZINC000425266387 563416343 /nfs/dbraw/zinc/41/63/43/563416343.db2.gz HOUPCAKHFGVSBW-ZDUSSCGKSA-N 1 2 378.245 2.848 20 30 GFEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@@](O)(C(F)(F)F)CC2)cc1Cl ZINC000285692877 563532609 /nfs/dbraw/zinc/53/26/09/563532609.db2.gz VMOOVAYQIVJXOA-HNNXBMFYSA-N 1 2 375.778 2.929 20 30 GFEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@](O)(C(F)(F)F)CC2)cc1Cl ZINC000285692877 563532612 /nfs/dbraw/zinc/53/26/12/563532612.db2.gz VMOOVAYQIVJXOA-HNNXBMFYSA-N 1 2 375.778 2.929 20 30 GFEDLO CC[NH+](CC)[C@H](CNS(=O)(=O)N(C)C[C@@H](C)C#N)c1ccccc1Cl ZINC000409536394 563564379 /nfs/dbraw/zinc/56/43/79/563564379.db2.gz QDCKUQUDZDYQOE-WMLDXEAASA-N 1 2 386.949 2.649 20 30 GFEDLO CS(=O)(=O)C[C@H]1CCC[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000433077511 563601825 /nfs/dbraw/zinc/60/18/25/563601825.db2.gz RUMHSVYHMSUCGS-HNNXBMFYSA-N 1 2 375.412 2.693 20 30 GFEDLO CS(=O)(=O)C[C@H]1CCC[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000433077511 563601828 /nfs/dbraw/zinc/60/18/28/563601828.db2.gz RUMHSVYHMSUCGS-HNNXBMFYSA-N 1 2 375.412 2.693 20 30 GFEDLO C[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(C#N)s2)[C@H]1c1ccc(Cl)cc1 ZINC000333243923 563625605 /nfs/dbraw/zinc/62/56/05/563625605.db2.gz IYFRCJCWFVRRNI-GOEBONIOSA-N 1 2 381.910 2.997 20 30 GFEDLO C[N@H+]1CC[C@H](NS(=O)(=O)c2ccc(C#N)s2)[C@H]1c1ccc(Cl)cc1 ZINC000333243923 563625609 /nfs/dbraw/zinc/62/56/09/563625609.db2.gz IYFRCJCWFVRRNI-GOEBONIOSA-N 1 2 381.910 2.997 20 30 GFEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCSC[C@@H](C(=O)OC)C1 ZINC000412090956 563647933 /nfs/dbraw/zinc/64/79/33/563647933.db2.gz YLPOERPEQSAPHP-AWEZNQCLSA-N 1 2 380.535 2.741 20 30 GFEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCSC[C@@H](C(=O)OC)C1 ZINC000412090956 563647936 /nfs/dbraw/zinc/64/79/36/563647936.db2.gz YLPOERPEQSAPHP-AWEZNQCLSA-N 1 2 380.535 2.741 20 30 GFEDLO Cn1cc[nH+]c1[C@H](NS(=O)(=O)c1ccc(C#N)s1)c1ccc(F)cc1 ZINC000435446473 563652371 /nfs/dbraw/zinc/65/23/71/563652371.db2.gz KGGVEWFZHOKUAE-OAHLLOKOSA-N 1 2 376.438 2.560 20 30 GFEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000437628718 563697582 /nfs/dbraw/zinc/69/75/82/563697582.db2.gz JPXQMMOVLWOZOF-MLGOLLRUSA-N 1 2 393.285 2.877 20 30 GFEDLO C[N@H+](CCC#N)C[C@H](O)COc1ccc(Br)cc1Br ZINC000414122503 563720248 /nfs/dbraw/zinc/72/02/48/563720248.db2.gz BCQYYIQOZJBDEM-NSHDSACASA-N 1 2 392.091 2.797 20 30 GFEDLO C[N@@H+](CCC#N)C[C@H](O)COc1ccc(Br)cc1Br ZINC000414122503 563720251 /nfs/dbraw/zinc/72/02/51/563720251.db2.gz BCQYYIQOZJBDEM-NSHDSACASA-N 1 2 392.091 2.797 20 30 GFEDLO CC(C)[N@@H+]1CCc2nc(NS(=O)(=O)c3ccc(C#N)c(F)c3)sc2C1 ZINC000291879826 563762883 /nfs/dbraw/zinc/76/28/83/563762883.db2.gz MTQLCKOHYRMONA-UHFFFAOYSA-N 1 2 380.470 2.721 20 30 GFEDLO CC(C)[N@H+]1CCc2nc(NS(=O)(=O)c3ccc(C#N)c(F)c3)sc2C1 ZINC000291879826 563762885 /nfs/dbraw/zinc/76/28/85/563762885.db2.gz MTQLCKOHYRMONA-UHFFFAOYSA-N 1 2 380.470 2.721 20 30 GFEDLO N#Cc1c(Cl)cccc1S(=O)(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000443094873 563791871 /nfs/dbraw/zinc/79/18/71/563791871.db2.gz DOWHJXQVRZPQAF-UHFFFAOYSA-N 1 2 375.881 2.548 20 30 GFEDLO N#Cc1c(Cl)cccc1S(=O)(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000443094873 563791874 /nfs/dbraw/zinc/79/18/74/563791874.db2.gz DOWHJXQVRZPQAF-UHFFFAOYSA-N 1 2 375.881 2.548 20 30 GFEDLO CC[C@H]1CN(C(=O)c2ccc(Br)cc2C#N)C[C@H]1[NH+]1CCOCC1 ZINC000450034511 564214359 /nfs/dbraw/zinc/21/43/59/564214359.db2.gz LDYSBVKVGAMLCH-SUMWQHHRSA-N 1 2 392.297 2.504 20 30 GFEDLO C=CCNC(=O)NC(=O)C[N@H+]1Cc2cccc(Br)c2C[C@H]1CC ZINC000564406273 564232861 /nfs/dbraw/zinc/23/28/61/564232861.db2.gz OPLQURICIOLEKK-CYBMUJFWSA-N 1 2 380.286 2.598 20 30 GFEDLO C=CCNC(=O)NC(=O)C[N@@H+]1Cc2cccc(Br)c2C[C@H]1CC ZINC000564406273 564232866 /nfs/dbraw/zinc/23/28/66/564232866.db2.gz OPLQURICIOLEKK-CYBMUJFWSA-N 1 2 380.286 2.598 20 30 GFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@H]1C[C@@]12CCc1cc(Br)ccc12 ZINC000566917195 564349942 /nfs/dbraw/zinc/34/99/42/564349942.db2.gz AGXCKJIMSZUOBP-BPQIPLTHSA-N 1 2 376.298 2.613 20 30 GFEDLO CC[C@@H](C)[NH+]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)CC1 ZINC000451968948 564374081 /nfs/dbraw/zinc/37/40/81/564374081.db2.gz JRSVYKVZEFJFTK-GFCCVEGCSA-N 1 2 375.416 2.682 20 30 GFEDLO C=CCC[NH+]1CCN(S(=O)(=O)c2ccc(Br)cc2Cl)CC1 ZINC000524811799 564687982 /nfs/dbraw/zinc/68/79/82/564687982.db2.gz QZIYDDNRUXCECF-UHFFFAOYSA-N 1 2 393.734 2.985 20 30 GFEDLO CN(C)c1[nH+]cccc1N(C)S(=O)(=O)c1cccc(Br)c1C#N ZINC000553429390 564720923 /nfs/dbraw/zinc/72/09/23/564720923.db2.gz AXNOSBCXXFRNSC-UHFFFAOYSA-N 1 2 395.282 2.607 20 30 GFEDLO N#Cc1cc(F)c(Nc2ccc(N3CCNC(=O)C3)[nH+]c2)cc1Br ZINC000580799481 564774402 /nfs/dbraw/zinc/77/44/02/564774402.db2.gz UZEZTBBLPWJXRZ-UHFFFAOYSA-N 1 2 390.216 2.535 20 30 GFEDLO N#Cc1ccnc(NCC[NH+]2CCN(c3cccc(Cl)c3)CC2)c1Cl ZINC000557624883 564869584 /nfs/dbraw/zinc/86/95/84/564869584.db2.gz GYSNXCIRQNWJSO-UHFFFAOYSA-N 1 2 376.291 2.916 20 30 GFEDLO CC[N@@H+]1C[C@H](C)N(S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C[C@H]1C ZINC000497985953 564883140 /nfs/dbraw/zinc/88/31/40/564883140.db2.gz WUADLRSHMYXEBV-NEPJUHHUSA-N 1 2 375.416 2.680 20 30 GFEDLO CC[N@H+]1C[C@H](C)N(S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C[C@H]1C ZINC000497985953 564883143 /nfs/dbraw/zinc/88/31/43/564883143.db2.gz WUADLRSHMYXEBV-NEPJUHHUSA-N 1 2 375.416 2.680 20 30 GFEDLO N#Cc1cc(Cl)cc(OCC(=O)N2CC[NH+](Cc3cccs3)CC2)c1 ZINC000558459156 564901460 /nfs/dbraw/zinc/90/14/60/564901460.db2.gz SPLSGFVOKZTYJH-UHFFFAOYSA-N 1 2 375.881 2.996 20 30 GFEDLO N#Cc1ccc([C@H]([NH2+][C@H](c2cncc(Br)c2)C2CC2)C(N)=O)cc1 ZINC000560177464 564952780 /nfs/dbraw/zinc/95/27/80/564952780.db2.gz MSCZODYCQVNAOL-IRXDYDNUSA-N 1 2 385.265 2.983 20 30 GFEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cnn(-c3ccc(Br)cc3)c2)C1=O ZINC000467509588 564965662 /nfs/dbraw/zinc/96/56/62/564965662.db2.gz BYASUUUWZJQMFK-KRWDZBQOSA-N 1 2 389.297 2.854 20 30 GFEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cnn(-c3ccc(Br)cc3)c2)C1=O ZINC000467509588 564965664 /nfs/dbraw/zinc/96/56/64/564965664.db2.gz BYASUUUWZJQMFK-KRWDZBQOSA-N 1 2 389.297 2.854 20 30 GFEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCc2cc(Br)cc(C)c2C1 ZINC000537126249 565053292 /nfs/dbraw/zinc/05/32/92/565053292.db2.gz HUOLWKLKZVXGIF-LBPRGKRZSA-N 1 2 380.286 2.516 20 30 GFEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCc2cc(Br)cc(C)c2C1 ZINC000537126249 565053295 /nfs/dbraw/zinc/05/32/95/565053295.db2.gz HUOLWKLKZVXGIF-LBPRGKRZSA-N 1 2 380.286 2.516 20 30 GFEDLO C=CCOCCC[NH+]1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000470720110 565054359 /nfs/dbraw/zinc/05/43/59/565054359.db2.gz PGRPQXZSMGXKEO-UHFFFAOYSA-N 1 2 393.336 2.892 20 30 GFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cc(Cl)ccc1I ZINC000584473392 565082409 /nfs/dbraw/zinc/08/24/09/565082409.db2.gz ZQUHDGOQRUKEKO-ZDUSSCGKSA-N 1 2 391.640 2.518 20 30 GFEDLO Cc1cc(N2CC[C@H]([NH2+]Cc3nc(C#N)cs3)C2=O)ccc1Br ZINC000589317845 565161477 /nfs/dbraw/zinc/16/14/77/565161477.db2.gz QXKUSMPYORAUCH-AWEZNQCLSA-N 1 2 391.294 2.981 20 30 GFEDLO COCC[N@@H+](Cc1cc(C#N)ccc1Br)C[C@H](O)C(F)(F)F ZINC000594017314 565371647 /nfs/dbraw/zinc/37/16/47/565371647.db2.gz CTQDZVNOSGIGRR-ZDUSSCGKSA-N 1 2 381.192 2.692 20 30 GFEDLO COCC[N@H+](Cc1cc(C#N)ccc1Br)C[C@H](O)C(F)(F)F ZINC000594017314 565371652 /nfs/dbraw/zinc/37/16/52/565371652.db2.gz CTQDZVNOSGIGRR-ZDUSSCGKSA-N 1 2 381.192 2.692 20 30 GFEDLO CC(C)(C#N)c1ccccc1C[N@@H+]1CCc2sc(S(N)(=O)=O)cc2C1 ZINC000595886107 565496719 /nfs/dbraw/zinc/49/67/19/565496719.db2.gz VKQQLKPVWTXHCA-UHFFFAOYSA-N 1 2 375.519 2.755 20 30 GFEDLO CC(C)(C#N)c1ccccc1C[N@H+]1CCc2sc(S(N)(=O)=O)cc2C1 ZINC000595886107 565496724 /nfs/dbraw/zinc/49/67/24/565496724.db2.gz VKQQLKPVWTXHCA-UHFFFAOYSA-N 1 2 375.519 2.755 20 30 GFEDLO Cc1cc(C(N)=[NH+]OCc2ccc(-c3nn[nH]n3)cc2OC(F)F)ccc1F ZINC000822191744 606594699 /nfs/dbraw/zinc/59/46/99/606594699.db2.gz PLGISCNHBFWLRB-UHFFFAOYSA-N 1 2 392.341 2.753 20 30 GFEDLO C#C[C@H]([NH2+]Cc1nc(Br)c(Br)n1CC)[C@@H]1CCCO1 ZINC000922013460 664581174 /nfs/dbraw/zinc/58/11/74/664581174.db2.gz ZNTAEABTVSVELU-UWVGGRQHSA-N 1 2 391.107 2.698 20 30 GFEDLO CCc1nc(C[NH+]2CCC(CNS(=O)(=O)CCCCC#N)CC2)cs1 ZINC000111357904 655170769 /nfs/dbraw/zinc/17/07/69/655170769.db2.gz AGSSUNAZRJJKRY-UHFFFAOYSA-N 1 2 384.571 2.531 20 30 GFEDLO Cc1cc(Br)cn2cc(CCNC(=O)NCC3(C#N)CCC3)[nH+]c12 ZINC000419484195 655406747 /nfs/dbraw/zinc/40/67/47/655406747.db2.gz WDJNBTBWHCDZFU-UHFFFAOYSA-N 1 2 390.285 2.941 20 30 GFEDLO CC#CC[C@H](CO)[NH2+]Cc1cc(Br)c(O)c(Br)c1 ZINC000717804336 655523732 /nfs/dbraw/zinc/52/37/32/655523732.db2.gz JPUBNYOUJUZOFC-SNVBAGLBSA-N 1 2 377.076 2.781 20 30 GFEDLO CN(Cc1ccccc1)C(=O)CO[NH+]=C(N)c1ccc(Br)cc1 ZINC000782947516 657195623 /nfs/dbraw/zinc/19/56/23/657195623.db2.gz AIVOGXSSFFLIRQ-UHFFFAOYSA-N 1 2 376.254 2.745 20 30 GFEDLO NC(=[NH+]OCC(=O)NCCCc1ccccc1)c1ccc(Br)cc1 ZINC000782949086 657195737 /nfs/dbraw/zinc/19/57/37/657195737.db2.gz PONORADKXAHFCP-UHFFFAOYSA-N 1 2 390.281 2.835 20 30 GFEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccc(Cl)nc1C(F)(F)F ZINC000787255299 657532896 /nfs/dbraw/zinc/53/28/96/657532896.db2.gz SEVFKEBWZQJGJO-UHFFFAOYSA-N 1 2 376.810 2.802 20 30 GFEDLO COc1cc(C(=O)/C=C/c2ncc(C[NH+](C)C)s2)ccc1S(C)(=O)=O ZINC000794709257 658601871 /nfs/dbraw/zinc/60/18/71/658601871.db2.gz XRPWNDQRVILYOA-SOFGYWHQSA-N 1 2 380.491 2.513 20 30 GFEDLO N#Cc1ccc(N2CC[NH+](C[C@@H](O)c3cccc(Br)c3)CC2)cn1 ZINC000801553691 659403364 /nfs/dbraw/zinc/40/33/64/659403364.db2.gz UBIKVQKWWIYLGO-GOSISDBHSA-N 1 2 387.281 2.571 20 30 GFEDLO COc1c(C)c[nH+]c(CN=Nc2ncnc3c2c(Br)nn3C)c1C ZINC000872348253 662761407 /nfs/dbraw/zinc/76/14/07/662761407.db2.gz DNSODMREWCLGFI-UHFFFAOYSA-N 1 2 390.245 2.592 20 30 GFEDLO N#Cc1ccc(OC2CC[NH+](C[C@@H](O)c3cc(Br)no3)CC2)cc1 ZINC000878051952 662888967 /nfs/dbraw/zinc/88/89/67/662888967.db2.gz SCEOEBYIQUNCDO-OAHLLOKOSA-N 1 2 392.253 2.886 20 30 GFEDLO C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCC[N@H+](CCF)C1 ZINC000898508129 663653336 /nfs/dbraw/zinc/65/33/36/663653336.db2.gz ZDFSLQQEVPJXBT-ZIAGYGMSSA-N 1 2 377.888 2.572 20 30 GFEDLO C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCC[N@@H+](CCF)C1 ZINC000898508129 663653340 /nfs/dbraw/zinc/65/33/40/663653340.db2.gz ZDFSLQQEVPJXBT-ZIAGYGMSSA-N 1 2 377.888 2.572 20 30 GFEDLO C[C@@H]1CC(=O)N(C[N@@H+]2C[C@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)C1 ZINC000902522221 663762448 /nfs/dbraw/zinc/76/24/48/663762448.db2.gz ABBTUUZQEIYHMX-HLTSFMKQSA-N 1 2 380.279 2.915 20 30 GFEDLO C[C@@H]1CC(=O)N(C[N@H+]2C[C@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)C1 ZINC000902522221 663762449 /nfs/dbraw/zinc/76/24/49/663762449.db2.gz ABBTUUZQEIYHMX-HLTSFMKQSA-N 1 2 380.279 2.915 20 30 GFEDLO C#C[C@@H]([NH2+]Cc1nc(Br)c(Br)n1CC)[C@@H]1CCCO1 ZINC000922013462 664581239 /nfs/dbraw/zinc/58/12/39/664581239.db2.gz ZNTAEABTVSVELU-ZJUUUORDSA-N 1 2 391.107 2.698 20 30 GFEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)Cc1cc(Br)cn1C ZINC000151455920 551413985 /nfs/dbraw/zinc/41/39/85/551413985.db2.gz OPAYHZANHWSEGE-CYBMUJFWSA-N 1 2 381.318 2.951 20 30 GFEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)Cc1cc(Br)cn1C ZINC000151455920 551413988 /nfs/dbraw/zinc/41/39/88/551413988.db2.gz OPAYHZANHWSEGE-CYBMUJFWSA-N 1 2 381.318 2.951 20 30 GFEDLO C=CCOc1c(Br)cc(C[N@H+](C)CC(=O)N(C)C)cc1OCC ZINC000162477508 551609052 /nfs/dbraw/zinc/60/90/52/551609052.db2.gz UYYBYGGXOFHCNS-UHFFFAOYSA-N 1 2 385.302 2.933 20 30 GFEDLO C=CCOc1c(Br)cc(C[N@@H+](C)CC(=O)N(C)C)cc1OCC ZINC000162477508 551609053 /nfs/dbraw/zinc/60/90/53/551609053.db2.gz UYYBYGGXOFHCNS-UHFFFAOYSA-N 1 2 385.302 2.933 20 30 GFEDLO CC[N@@H+]1CCc2nc(NS(=O)(=O)c3ccc(C#N)cc3Cl)sc2C1 ZINC000186567357 552391367 /nfs/dbraw/zinc/39/13/67/552391367.db2.gz YHYOPUJTCVNUOV-UHFFFAOYSA-N 1 2 382.898 2.847 20 30 GFEDLO CC[N@H+]1CCc2nc(NS(=O)(=O)c3ccc(C#N)cc3Cl)sc2C1 ZINC000186567357 552391368 /nfs/dbraw/zinc/39/13/68/552391368.db2.gz YHYOPUJTCVNUOV-UHFFFAOYSA-N 1 2 382.898 2.847 20 30 GFEDLO Cc1ccc(C#N)cc1S(=O)(=O)N1CC[NH2+]C[C@H]1c1ccccc1Cl ZINC000261796078 553159674 /nfs/dbraw/zinc/15/96/74/553159674.db2.gz VHSDZSVLHNRXBD-KRWDZBQOSA-N 1 2 375.881 2.855 20 30 GFEDLO C[N@@H+](Cc1ccc(C#N)cc1Br)C[C@H](O)CNC(=O)OC(C)(C)C ZINC000296740030 563299917 /nfs/dbraw/zinc/29/99/17/563299917.db2.gz OIVKTUFLHOGMOY-CQSZACIVSA-N 1 2 398.301 2.638 20 30 GFEDLO C[N@H+](Cc1ccc(C#N)cc1Br)C[C@H](O)CNC(=O)OC(C)(C)C ZINC000296740030 563299918 /nfs/dbraw/zinc/29/99/18/563299918.db2.gz OIVKTUFLHOGMOY-CQSZACIVSA-N 1 2 398.301 2.638 20 30 GFEDLO Cc1cc(NC[C@H](CO)Cc2cc(F)cc(Br)c2)c(C#N)c[nH+]1 ZINC000425266386 563416275 /nfs/dbraw/zinc/41/62/75/563416275.db2.gz HOUPCAKHFGVSBW-CYBMUJFWSA-N 1 2 378.245 2.848 20 30 GFEDLO Cc1noc([C@@H]2C[N@@H+](Cc3ccc(C#N)cc3Br)CCN2C)n1 ZINC000284483165 563477207 /nfs/dbraw/zinc/47/72/07/563477207.db2.gz BYJFAILRVRXFOA-HNNXBMFYSA-N 1 2 376.258 2.501 20 30 GFEDLO Cc1noc([C@@H]2C[N@H+](Cc3ccc(C#N)cc3Br)CCN2C)n1 ZINC000284483165 563477209 /nfs/dbraw/zinc/47/72/09/563477209.db2.gz BYJFAILRVRXFOA-HNNXBMFYSA-N 1 2 376.258 2.501 20 30 GFEDLO Cc1cc(I)ccc1NC(=O)C[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000331355841 563547326 /nfs/dbraw/zinc/54/73/26/563547326.db2.gz RDPXEBWOZRNIFG-BXUZGUMPSA-N 1 2 383.233 2.820 20 30 GFEDLO COc1ccc(C[N@H+](C)CCS(=O)(=O)c2ccc(C#N)cn2)cc1Cl ZINC000412049886 563645707 /nfs/dbraw/zinc/64/57/07/563645707.db2.gz YXXNMYIQGVNCDD-UHFFFAOYSA-N 1 2 379.869 2.521 20 30 GFEDLO COc1ccc(C[N@@H+](C)CCS(=O)(=O)c2ccc(C#N)cn2)cc1Cl ZINC000412049886 563645709 /nfs/dbraw/zinc/64/57/09/563645709.db2.gz YXXNMYIQGVNCDD-UHFFFAOYSA-N 1 2 379.869 2.521 20 30 GFEDLO Cc1cnc([C@H]2CCC[N@H+](CCS(=O)(=O)c3ccc(C#N)cc3)C2)s1 ZINC000363124610 563715089 /nfs/dbraw/zinc/71/50/89/563715089.db2.gz XXLKSCCXAMDENN-INIZCTEOSA-N 1 2 375.519 2.977 20 30 GFEDLO Cc1cnc([C@H]2CCC[N@@H+](CCS(=O)(=O)c3ccc(C#N)cc3)C2)s1 ZINC000363124610 563715090 /nfs/dbraw/zinc/71/50/90/563715090.db2.gz XXLKSCCXAMDENN-INIZCTEOSA-N 1 2 375.519 2.977 20 30 GFEDLO N#Cc1ccc(S(=O)(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)s1 ZINC000367131052 563832327 /nfs/dbraw/zinc/83/23/27/563832327.db2.gz MXBSNJLRGQSALG-ZDUSSCGKSA-N 1 2 376.507 2.721 20 30 GFEDLO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]CC1(C#N)CCC1 ZINC000418144955 563900057 /nfs/dbraw/zinc/90/00/57/563900057.db2.gz WBHBEAUEENLUNK-LBPRGKRZSA-N 1 2 380.286 2.746 20 30 GFEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cc(Br)cc(F)c1F ZINC000563216332 564180234 /nfs/dbraw/zinc/18/02/34/564180234.db2.gz YIDLXHUIVUECJD-UHFFFAOYSA-N 1 2 388.256 2.775 20 30 GFEDLO C=CCOc1c(Br)cc(C[N@@H+]2CCN3CCOC[C@@H]3C2)cc1OC ZINC000543620869 564356026 /nfs/dbraw/zinc/35/60/26/564356026.db2.gz SQLVYRZWGSWKNZ-HNNXBMFYSA-N 1 2 397.313 2.539 20 30 GFEDLO C=CCOc1c(Br)cc(C[N@H+]2CCN3CCOC[C@@H]3C2)cc1OC ZINC000543620869 564356030 /nfs/dbraw/zinc/35/60/30/564356030.db2.gz SQLVYRZWGSWKNZ-HNNXBMFYSA-N 1 2 397.313 2.539 20 30 GFEDLO C=CCOc1c(Br)cc(CN2CC[N@@H+]3CCOC[C@@H]3C2)cc1OC ZINC000543620869 564356034 /nfs/dbraw/zinc/35/60/34/564356034.db2.gz SQLVYRZWGSWKNZ-HNNXBMFYSA-N 1 2 397.313 2.539 20 30 GFEDLO C=CCOc1c(Br)cc(CN2CC[N@H+]3CCOC[C@@H]3C2)cc1OC ZINC000543620869 564356038 /nfs/dbraw/zinc/35/60/38/564356038.db2.gz SQLVYRZWGSWKNZ-HNNXBMFYSA-N 1 2 397.313 2.539 20 30 GFEDLO C[C@H]1C[C@H](NC(=O)COc2ccc(C#N)c(Br)c2)c2[nH+]ccn21 ZINC000518324505 564550570 /nfs/dbraw/zinc/55/05/70/564550570.db2.gz ZHGIJPDTITVYRV-HZMBPMFUSA-N 1 2 375.226 2.718 20 30 GFEDLO C[C@@H]1C[C@H](NC(=O)COc2cccc(Br)c2C#N)c2[nH+]ccn21 ZINC000519748577 564589455 /nfs/dbraw/zinc/58/94/55/564589455.db2.gz KLXLELPSOBUBOA-MFKMUULPSA-N 1 2 375.226 2.718 20 30 GFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cc(I)ccc1Cl ZINC000572846047 564613046 /nfs/dbraw/zinc/61/30/46/564613046.db2.gz MTEFLIBSQDGFIR-CYBMUJFWSA-N 1 2 391.640 2.518 20 30 GFEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+](CC)Cc1cc(Br)ccc1F ZINC000488641595 564716246 /nfs/dbraw/zinc/71/62/46/564716246.db2.gz KYHHYTPUUKXAEW-NSHDSACASA-N 1 2 386.265 2.810 20 30 GFEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](CC)Cc1cc(Br)ccc1F ZINC000488641595 564716251 /nfs/dbraw/zinc/71/62/51/564716251.db2.gz KYHHYTPUUKXAEW-NSHDSACASA-N 1 2 386.265 2.810 20 30 GFEDLO C[C@H]([NH2+]Cc1ccc(Br)cc1C#N)c1cccc(S(N)(=O)=O)c1 ZINC000558103984 564892698 /nfs/dbraw/zinc/89/26/98/564892698.db2.gz PBXJZPLTBQAABY-NSHDSACASA-N 1 2 394.294 2.819 20 30 GFEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1=O ZINC000499939291 564940944 /nfs/dbraw/zinc/94/09/44/564940944.db2.gz KUAGYPQGQLKSCH-HZPDHXFCSA-N 1 2 382.291 2.817 20 30 GFEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1=O ZINC000499939291 564940947 /nfs/dbraw/zinc/94/09/47/564940947.db2.gz KUAGYPQGQLKSCH-HZPDHXFCSA-N 1 2 382.291 2.817 20 30 GFEDLO COC(=O)c1ccc(C[NH+]2CCN([C@@H](C#N)C(C)C)CC2)c(Br)c1 ZINC000590709306 565198477 /nfs/dbraw/zinc/19/84/77/565198477.db2.gz HCKRNCTWXINGTG-KRWDZBQOSA-N 1 2 394.313 2.901 20 30 GFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3nscc3Br)CC2)cc1 ZINC000593388777 565328859 /nfs/dbraw/zinc/32/88/59/565328859.db2.gz LMLAJQRQERWKCO-UHFFFAOYSA-N 1 2 391.294 2.735 20 30 GFEDLO C[N@@H+]1CC[C@H](NS(=O)(=O)c2ccsc2C#N)[C@H]1c1ccc(F)c(F)c1 ZINC000593568458 565343087 /nfs/dbraw/zinc/34/30/87/565343087.db2.gz HSMWORKVCMAWII-XJKSGUPXSA-N 1 2 383.445 2.622 20 30 GFEDLO C[C@H](CNS(=O)(=O)c1cccc(CC#N)c1)[N@@H+]1CCc2sccc2C1 ZINC000619475799 565343182 /nfs/dbraw/zinc/34/31/82/565343182.db2.gz QZDQNJKXZURLSN-CQSZACIVSA-N 1 2 375.519 2.539 20 30 GFEDLO C[C@H](CNS(=O)(=O)c1cccc(CC#N)c1)[N@H+]1CCc2sccc2C1 ZINC000619475799 565343185 /nfs/dbraw/zinc/34/31/85/565343185.db2.gz QZDQNJKXZURLSN-CQSZACIVSA-N 1 2 375.519 2.539 20 30 GFEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000619719302 565356358 /nfs/dbraw/zinc/35/63/58/565356358.db2.gz KRXBBTIBXKTEOL-OAHLLOKOSA-N 1 2 381.270 2.827 20 30 GFEDLO N#Cc1cnn2cc(C[NH+]3CCN(c4ccc(Br)cc4)CC3)cnc12 ZINC000597203040 565555162 /nfs/dbraw/zinc/55/51/62/565555162.db2.gz LMFZDAULXPHPJZ-UHFFFAOYSA-N 1 2 397.280 2.686 20 30 GFEDLO COC(=O)[C@H](c1cccc(Br)c1)[N@H+](C)C[C@@H](O)CC(C)(C)C#N ZINC000598602017 565629129 /nfs/dbraw/zinc/62/91/29/565629129.db2.gz ZCQGQNQFHRIFQF-GJZGRUSLSA-N 1 2 383.286 2.896 20 30 GFEDLO COC(=O)[C@H](c1cccc(Br)c1)[N@@H+](C)C[C@@H](O)CC(C)(C)C#N ZINC000598602017 565629135 /nfs/dbraw/zinc/62/91/35/565629135.db2.gz ZCQGQNQFHRIFQF-GJZGRUSLSA-N 1 2 383.286 2.896 20 30 GFEDLO Cc1cc(Br)c(F)c(C(=O)N(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000599229596 565662742 /nfs/dbraw/zinc/66/27/42/565662742.db2.gz FWSZEYLYZBGRIZ-UHFFFAOYSA-N 1 2 398.276 2.585 20 30 GFEDLO N#CC1(C[C@H](O)C[N@@H+]2CCOc3c(Br)cccc3C2)CCOCC1 ZINC000599392355 565675815 /nfs/dbraw/zinc/67/58/15/565675815.db2.gz RLZDOELEMIDFIG-HNNXBMFYSA-N 1 2 395.297 2.715 20 30 GFEDLO N#CC1(C[C@H](O)C[N@H+]2CCOc3c(Br)cccc3C2)CCOCC1 ZINC000599392355 565675817 /nfs/dbraw/zinc/67/58/17/565675817.db2.gz RLZDOELEMIDFIG-HNNXBMFYSA-N 1 2 395.297 2.715 20 30 GFEDLO N#CCCN1CC[NH+](Cc2c[nH]nc2-c2ccc(Br)s2)CC1 ZINC000602752649 565866397 /nfs/dbraw/zinc/86/63/97/565866397.db2.gz XJNQGRJEHCIAAN-UHFFFAOYSA-N 1 2 380.315 2.932 20 30 GFEDLO C[C@@H](C(=O)Nc1cccc(Br)c1)[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602856744 565870789 /nfs/dbraw/zinc/87/07/89/565870789.db2.gz NFBNBPDZFQZIRA-MJBXVCDLSA-N 1 2 379.302 2.694 20 30 GFEDLO C[C@@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602856744 565870790 /nfs/dbraw/zinc/87/07/90/565870790.db2.gz NFBNBPDZFQZIRA-MJBXVCDLSA-N 1 2 379.302 2.694 20 30 GFEDLO C[C@H]1C[NH+](CC(=O)NCCc2cccc(Cl)c2Cl)C[C@H](C)N1CC#N ZINC000602865452 565872019 /nfs/dbraw/zinc/87/20/19/565872019.db2.gz TUCPHPRHLNWIHX-KBPBESRZSA-N 1 2 383.323 2.570 20 30 GFEDLO N#CCCN1CC[NH+](Cc2ccnc(-c3ccc(Br)cc3)n2)CC1 ZINC000611173701 566119946 /nfs/dbraw/zinc/11/99/46/566119946.db2.gz HENATIVYFMOENS-UHFFFAOYSA-N 1 2 386.297 2.937 20 30 GFEDLO CC(=[NH+]Nc1cccc(-c2nn[nH]n2)c1)c1c(F)cccc1N1CCOCC1 ZINC000735451221 599032315 /nfs/dbraw/zinc/03/23/15/599032315.db2.gz UTKBMJPKRSBKCK-UHFFFAOYSA-N 1 2 381.415 2.679 20 30 GFEDLO Clc1cc(N[NH+]=Cc2ccc(N3CCOCC3)cc2)ccc1-c1nn[nH]n1 ZINC000826351386 609473911 /nfs/dbraw/zinc/47/39/11/609473911.db2.gz KPCSKCNCZBBSHY-UHFFFAOYSA-N 1 2 383.843 2.803 20 30 GFEDLO CCCS(=O)(=O)NC1CC[NH+](Cc2cc(Cl)ccc2OCC#N)CC1 ZINC000735308336 655644305 /nfs/dbraw/zinc/64/43/05/655644305.db2.gz HYGOMZFPFUIMNE-UHFFFAOYSA-N 1 2 385.917 2.536 20 30 GFEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1nccn1Cc1ccc(Br)cc1 ZINC000755734530 655887841 /nfs/dbraw/zinc/88/78/41/655887841.db2.gz ZGXVGNJDJMYFNO-INIZCTEOSA-N 1 2 387.281 2.730 20 30 GFEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1nccn1Cc1ccc(Br)cc1 ZINC000755734530 655887842 /nfs/dbraw/zinc/88/78/42/655887842.db2.gz ZGXVGNJDJMYFNO-INIZCTEOSA-N 1 2 387.281 2.730 20 30 GFEDLO C=C[C@@H](C)ONC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000845616761 661483955 /nfs/dbraw/zinc/48/39/55/661483955.db2.gz MRJDJESMVXYPPY-GFCCVEGCSA-N 1 2 383.246 2.957 20 30 GFEDLO N#Cc1ncc(Br)cc1N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000853769035 661900111 /nfs/dbraw/zinc/90/01/11/661900111.db2.gz DWDQYWAMSLLUMP-MOPGFXCFSA-N 1 2 399.292 2.805 20 30 GFEDLO N#Cc1ncc(Br)cc1N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000853769035 661900112 /nfs/dbraw/zinc/90/01/12/661900112.db2.gz DWDQYWAMSLLUMP-MOPGFXCFSA-N 1 2 399.292 2.805 20 30 GFEDLO CC#CC[NH2+]Cc1cn(C[C@@](C)(O)c2ccc(Br)cc2Cl)nn1 ZINC000881423557 662993724 /nfs/dbraw/zinc/99/37/24/662993724.db2.gz BHKYWQJXBWONKD-MRXNPFEDSA-N 1 2 397.704 2.715 20 30 GFEDLO N#Cc1nc(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)ccc1Br ZINC000883098598 663049054 /nfs/dbraw/zinc/04/90/54/663049054.db2.gz SYGUWTHMKLCMLV-LLVKDONJSA-N 1 2 387.241 2.511 20 30 GFEDLO C#CC[NH+]1CCC(NS(=O)(=O)c2cc(Br)sc2Cl)CC1 ZINC000921437536 664548530 /nfs/dbraw/zinc/54/85/30/664548530.db2.gz ACGWOFGAYIDMLC-UHFFFAOYSA-N 1 2 397.747 2.540 20 30 GFEDLO CC[C@H]([NH2+]Cc1c(I)cnn1C)c1cccc(C#N)c1O ZINC000926814680 664696915 /nfs/dbraw/zinc/69/69/15/664696915.db2.gz WTZRLHOAMMYPRL-ZDUSSCGKSA-N 1 2 396.232 2.843 20 30 GFEDLO C[C@@H](C(=O)NC1CC1)[N@@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932944064 664843898 /nfs/dbraw/zinc/84/38/98/664843898.db2.gz BUBUYTHKRACLJY-CNUIFLNQSA-N 1 2 380.279 2.756 20 30 GFEDLO C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932944064 664843899 /nfs/dbraw/zinc/84/38/99/664843899.db2.gz BUBUYTHKRACLJY-CNUIFLNQSA-N 1 2 380.279 2.756 20 30 GFEDLO N#Cc1cc(C(F)(F)N2CCc3onc(Cn4cc[nH+]c4)c3C2)cc(Cl)n1 ZINC001164676413 719564950 /nfs/dbraw/zinc/56/49/50/719564950.db2.gz ATDAMCPCMJUYQV-UHFFFAOYSA-N 1 2 390.781 2.947 20 30 GFEDLO N#Cc1cc(C(F)(F)N2CC[NH+](CCc3ccccn3)CC2)cc(Cl)n1 ZINC001165053258 722012634 /nfs/dbraw/zinc/01/26/34/722012634.db2.gz DCBGGAQRDBRKCJ-UHFFFAOYSA-N 1 2 377.826 2.911 20 30 GFEDLO C=CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000030608923 212109674 /nfs/dbraw/zinc/10/96/74/212109674.db2.gz DJESMFYXOGFZFO-UHFFFAOYSA-N 1 2 382.445 2.589 20 30 GFEDLO COC(=O)C1CC[NH+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)CC1 ZINC000012801216 212104145 /nfs/dbraw/zinc/10/41/45/212104145.db2.gz LXONYQGNSVSRPE-UHFFFAOYSA-N 1 2 386.496 2.915 20 30 GFEDLO C=CCN(CC(=O)NCC(C)(C)[NH+]1CCOCC1)Cc1ccc(Cl)s1 ZINC000115239208 551209648 /nfs/dbraw/zinc/20/96/48/551209648.db2.gz RFPWFOIBQWRMBM-UHFFFAOYSA-N 1 2 385.961 2.617 20 30 GFEDLO C[N@@H+]1CC[C@H](NS(=O)(=O)c2cccc(C#N)c2)[C@@H]1c1ccc(Cl)cc1 ZINC000121761665 551241881 /nfs/dbraw/zinc/24/18/81/551241881.db2.gz LGABAFYCRFUDLA-ROUUACIJSA-N 1 2 375.881 2.935 20 30 GFEDLO C[N@H+]1CC[C@H](NS(=O)(=O)c2cccc(C#N)c2)[C@@H]1c1ccc(Cl)cc1 ZINC000121761665 551241883 /nfs/dbraw/zinc/24/18/83/551241883.db2.gz LGABAFYCRFUDLA-ROUUACIJSA-N 1 2 375.881 2.935 20 30 GFEDLO C[N@@H+]1CC[C@@H](NS(=O)(=O)c2cccc(C#N)c2)[C@@H]1c1ccc(Cl)cc1 ZINC000121761846 551242054 /nfs/dbraw/zinc/24/20/54/551242054.db2.gz LGABAFYCRFUDLA-MSOLQXFVSA-N 1 2 375.881 2.935 20 30 GFEDLO C[N@H+]1CC[C@@H](NS(=O)(=O)c2cccc(C#N)c2)[C@@H]1c1ccc(Cl)cc1 ZINC000121761846 551242055 /nfs/dbraw/zinc/24/20/55/551242055.db2.gz LGABAFYCRFUDLA-MSOLQXFVSA-N 1 2 375.881 2.935 20 30 GFEDLO CCN(CC)C(=O)C[N@@H+]1CCCN(c2ccc(C#N)cc2Br)CC1 ZINC000122634990 551300935 /nfs/dbraw/zinc/30/09/35/551300935.db2.gz USZBPEZOMCVCGI-UHFFFAOYSA-N 1 2 393.329 2.701 20 30 GFEDLO CCN(CC)C(=O)C[N@H+]1CCCN(c2ccc(C#N)cc2Br)CC1 ZINC000122634990 551300936 /nfs/dbraw/zinc/30/09/36/551300936.db2.gz USZBPEZOMCVCGI-UHFFFAOYSA-N 1 2 393.329 2.701 20 30 GFEDLO N#CCNC(=O)C[NH2+][C@H](c1ccccc1)c1ccc(Br)cc1F ZINC000175120101 552116101 /nfs/dbraw/zinc/11/61/01/552116101.db2.gz QVOPAIUEYODXFV-QGZVFWFLSA-N 1 2 376.229 2.907 20 30 GFEDLO CC(C)c1[nH+]c2c(n1C)CCN(S(=O)(=O)c1cc(C#N)ccc1Cl)C2 ZINC000184686628 552342168 /nfs/dbraw/zinc/34/21/68/552342168.db2.gz NSCLOODPSVTHBG-UHFFFAOYSA-N 1 2 378.885 2.816 20 30 GFEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000249760413 553146300 /nfs/dbraw/zinc/14/63/00/553146300.db2.gz XMKDXIBJGHPHSP-SZMVWBNQSA-N 1 2 384.307 2.938 20 30 GFEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000249760413 553146302 /nfs/dbraw/zinc/14/63/02/553146302.db2.gz XMKDXIBJGHPHSP-SZMVWBNQSA-N 1 2 384.307 2.938 20 30 GFEDLO Cc1sc(NC(=O)C[N@@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)c(C#N)c1C ZINC000277712827 563221953 /nfs/dbraw/zinc/22/19/53/563221953.db2.gz IOXPGSWUOOVROI-BXUZGUMPSA-N 1 2 375.416 2.810 20 30 GFEDLO Cc1sc(NC(=O)C[N@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)c(C#N)c1C ZINC000277712827 563221955 /nfs/dbraw/zinc/22/19/55/563221955.db2.gz IOXPGSWUOOVROI-BXUZGUMPSA-N 1 2 375.416 2.810 20 30 GFEDLO N#C[C@H]1CC[C@H]([NH+]2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)C1 ZINC000278646695 563264819 /nfs/dbraw/zinc/26/48/19/563264819.db2.gz PLHMGOYUJNDSTM-JSGCOSHPSA-N 1 2 388.320 2.992 20 30 GFEDLO C=CCOCC(=O)N(CCn1cc[nH+]c1)Cc1ccccc1Br ZINC000425293620 563417131 /nfs/dbraw/zinc/41/71/31/563417131.db2.gz LETXJHPWLIVOKW-UHFFFAOYSA-N 1 2 378.270 2.877 20 30 GFEDLO [O-]C(N[C@@H]1COc2cc(F)c(Br)cc21)=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000328814858 563465184 /nfs/dbraw/zinc/46/51/84/563465184.db2.gz NNEVVJOKBWCKRD-NOZJJQNGSA-N 1 2 395.232 2.737 20 30 GFEDLO Cn1c2c([nH+]c1[C@H]1CCCN1S(=O)(=O)c1ccc(C#N)s1)CCCC2 ZINC000328805579 563465760 /nfs/dbraw/zinc/46/57/60/563465760.db2.gz LSWDJMDJKCJMFQ-OAHLLOKOSA-N 1 2 376.507 2.758 20 30 GFEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CC[S@@](=O)C[C@H](C)C3)n2)C1 ZINC000329337822 563478278 /nfs/dbraw/zinc/47/82/78/563478278.db2.gz QCKLKYBJMXHLGN-FPIQFJIESA-N 1 2 384.571 2.621 20 30 GFEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CC[S@@](=O)C[C@H](C)C3)n2)C1 ZINC000329337822 563478280 /nfs/dbraw/zinc/47/82/80/563478280.db2.gz QCKLKYBJMXHLGN-FPIQFJIESA-N 1 2 384.571 2.621 20 30 GFEDLO N#CC1(CS(=O)(=O)N2CC[NH+](CCc3cccs3)CC2)CCCCC1 ZINC000329992077 563493165 /nfs/dbraw/zinc/49/31/65/563493165.db2.gz ALBHZLDKAVVESX-UHFFFAOYSA-N 1 2 381.567 2.712 20 30 GFEDLO C[C@H]1CCN(S(=O)(=O)c2ccc(C#N)s2)CC[N@@H+]1Cc1ccccc1 ZINC000383094680 563516426 /nfs/dbraw/zinc/51/64/26/563516426.db2.gz YELPMDUTEKHVFS-HNNXBMFYSA-N 1 2 375.519 2.905 20 30 GFEDLO C[C@H]1CCN(S(=O)(=O)c2ccc(C#N)s2)CC[N@H+]1Cc1ccccc1 ZINC000383094680 563516428 /nfs/dbraw/zinc/51/64/28/563516428.db2.gz YELPMDUTEKHVFS-HNNXBMFYSA-N 1 2 375.519 2.905 20 30 GFEDLO C[C@H]([NH2+][C@H]1CCC[C@@H]1C#N)C(=O)Nc1cccc(I)c1 ZINC000331324892 563545726 /nfs/dbraw/zinc/54/57/26/563545726.db2.gz FZPZUEBXVXKYHE-WDMOLILDSA-N 1 2 383.233 2.900 20 30 GFEDLO CCN(CCC#N)S(=O)(=O)NC[C@H](c1ccccc1Cl)[NH+](CC)CC ZINC000409538099 563564576 /nfs/dbraw/zinc/56/45/76/563564576.db2.gz WCCOMLWTELWDPM-QGZVFWFLSA-N 1 2 386.949 2.793 20 30 GFEDLO C[C@@H]([NH2+]CC(=O)N(C)C1(C#N)CCCCC1)c1ncc(Br)cn1 ZINC000432989287 563599501 /nfs/dbraw/zinc/59/95/01/563599501.db2.gz PNZGAWYQSNPEDZ-GFCCVEGCSA-N 1 2 380.290 2.575 20 30 GFEDLO N#Cc1c(Br)cccc1S(=O)(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000288077385 563628306 /nfs/dbraw/zinc/62/83/06/563628306.db2.gz JSRUZLZDERJYNO-LLVKDONJSA-N 1 2 395.282 2.612 20 30 GFEDLO C[N@@H+]1CC[C@@H](NS(=O)(=O)CC2(CC#N)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000333471120 563633497 /nfs/dbraw/zinc/63/34/97/563633497.db2.gz WGNGHLHOFAOPRU-CVEARBPZSA-N 1 2 385.892 2.838 20 30 GFEDLO C[N@H+]1CC[C@@H](NS(=O)(=O)CC2(CC#N)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000333471120 563633500 /nfs/dbraw/zinc/63/35/00/563633500.db2.gz WGNGHLHOFAOPRU-CVEARBPZSA-N 1 2 385.892 2.838 20 30 GFEDLO C[N@H+](CCC#N)C[C@@H](O)CSc1nnc(COc2ccc(Cl)cc2)o1 ZINC000414098444 563719412 /nfs/dbraw/zinc/71/94/12/563719412.db2.gz PAGKJSLLOIVZBS-CYBMUJFWSA-N 1 2 382.873 2.600 20 30 GFEDLO C[N@@H+](CCC#N)C[C@@H](O)CSc1nnc(COc2ccc(Cl)cc2)o1 ZINC000414098444 563719413 /nfs/dbraw/zinc/71/94/13/563719413.db2.gz PAGKJSLLOIVZBS-CYBMUJFWSA-N 1 2 382.873 2.600 20 30 GFEDLO C=CCNC(=O)C[NH+]1CCN(Cc2ccc(Cl)cc2Br)CC1 ZINC000506247699 564199889 /nfs/dbraw/zinc/19/98/89/564199889.db2.gz LLBCWJWOVUVSGY-UHFFFAOYSA-N 1 2 386.721 2.522 20 30 GFEDLO Cc1nn(C)cc1C[NH+]1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000450656223 564242555 /nfs/dbraw/zinc/24/25/55/564242555.db2.gz JVJDCMKEPNWZAB-SFHVURJKSA-N 1 2 388.313 2.874 20 30 GFEDLO CC(C)[C@H](NC(=O)COc1cccc(Br)c1C#N)c1[nH]cc[nH+]1 ZINC000451104181 564274618 /nfs/dbraw/zinc/27/46/18/564274618.db2.gz QBRVWQMEOVKSRC-HNNXBMFYSA-N 1 2 377.242 2.936 20 30 GFEDLO C[N@H+](Cc1ccccc1)C1CN(S(=O)(=O)c2cc(C#N)ccc2Cl)C1 ZINC000510574022 564339605 /nfs/dbraw/zinc/33/96/05/564339605.db2.gz XLUOFVQXZFHGJI-UHFFFAOYSA-N 1 2 375.881 2.717 20 30 GFEDLO C[N@@H+](Cc1ccccc1)C1CN(S(=O)(=O)c2cc(C#N)ccc2Cl)C1 ZINC000510574022 564339607 /nfs/dbraw/zinc/33/96/07/564339607.db2.gz XLUOFVQXZFHGJI-UHFFFAOYSA-N 1 2 375.881 2.717 20 30 GFEDLO CCn1cc[nH+]c1[C@H](C)NS(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000451929846 564368229 /nfs/dbraw/zinc/36/82/29/564368229.db2.gz ONAOMSVFXJCBAV-JTQLQIEISA-N 1 2 383.271 2.577 20 30 GFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc(I)cc1Cl ZINC000567392039 564370110 /nfs/dbraw/zinc/37/01/10/564370110.db2.gz BEWUXFQJAWRSEY-CYBMUJFWSA-N 1 2 391.640 2.518 20 30 GFEDLO N#Cc1cccc(N2CCN(Cc3c[nH+]c4ccc(Br)cn34)CC2)n1 ZINC000544931677 564404344 /nfs/dbraw/zinc/40/43/44/564404344.db2.gz OGGGZKUHJAFOIX-UHFFFAOYSA-N 1 2 397.280 2.686 20 30 GFEDLO N#Cc1cccc(CNC(=O)C[NH2+][C@@H](CO)c2c(Cl)cccc2Cl)c1 ZINC000483244868 564562046 /nfs/dbraw/zinc/56/20/46/564562046.db2.gz XLMYLWFWRLYQBW-INIZCTEOSA-N 1 2 378.259 2.804 20 30 GFEDLO N#Cc1cc(Cl)cc(OCC(=O)N2CC[NH+](Cc3ccsc3)CC2)c1 ZINC000487269140 564681061 /nfs/dbraw/zinc/68/10/61/564681061.db2.gz NIFHBZPHICZBQT-UHFFFAOYSA-N 1 2 375.881 2.996 20 30 GFEDLO C=CCOc1ccc(Br)cc1NC(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000459664865 564755931 /nfs/dbraw/zinc/75/59/31/564755931.db2.gz BXCNZZPRYLSHAA-ZDUSSCGKSA-N 1 2 398.301 2.856 20 30 GFEDLO N#Cc1ccc([C@@H]([NH2+][C@@H](c2cncc(Br)c2)C2CC2)C(N)=O)cc1 ZINC000560177463 564952687 /nfs/dbraw/zinc/95/26/87/564952687.db2.gz MSCZODYCQVNAOL-IAGOWNOFSA-N 1 2 385.265 2.983 20 30 GFEDLO CC1(C#N)CCN(C(=O)NCc2cn3cc(Br)ccc3[nH+]2)CC1 ZINC000503967689 565032015 /nfs/dbraw/zinc/03/20/15/565032015.db2.gz IYYCTTJUPVTDPB-UHFFFAOYSA-N 1 2 376.258 2.932 20 30 GFEDLO C=CCOCCC[NH+]1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000470716647 565054053 /nfs/dbraw/zinc/05/40/53/565054053.db2.gz DCAAGHHACFNZLF-UHFFFAOYSA-N 1 2 393.336 2.892 20 30 GFEDLO CC#CC[NH2+]Cc1cn([C@H](C)C(=O)Nc2ccc(C)cc2Br)nn1 ZINC000640885607 565334836 /nfs/dbraw/zinc/33/48/36/565334836.db2.gz CMEKYXKCJBROTM-CYBMUJFWSA-N 1 2 390.285 2.662 20 30 GFEDLO N#CC1(C[C@@H](O)C[N@@H+]2CCOc3ccc(Br)cc3C2)CCOCC1 ZINC000599403372 565676920 /nfs/dbraw/zinc/67/69/20/565676920.db2.gz NXOUMRXHXQHJAV-MRXNPFEDSA-N 1 2 395.297 2.715 20 30 GFEDLO N#CC1(C[C@@H](O)C[N@H+]2CCOc3ccc(Br)cc3C2)CCOCC1 ZINC000599403372 565676925 /nfs/dbraw/zinc/67/69/25/565676925.db2.gz NXOUMRXHXQHJAV-MRXNPFEDSA-N 1 2 395.297 2.715 20 30 GFEDLO Cn1nccc1[C@@H]1c2[nH]c[nH+]c2CCN1Cc1ccc(Br)cc1C#N ZINC000599445718 565680147 /nfs/dbraw/zinc/68/01/47/565680147.db2.gz OWJMUGJEZOSFIO-GOSISDBHSA-N 1 2 397.280 2.925 20 30 GFEDLO N#CCCN(C(=O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O)c1cccc(Cl)c1 ZINC000599632125 565693815 /nfs/dbraw/zinc/69/38/15/565693815.db2.gz RKALQWLTSAAZPT-LEHBWIKQSA-N 1 2 379.913 2.572 20 30 GFEDLO N#CCCN(C(=O)C[N@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O)c1cccc(Cl)c1 ZINC000599632125 565693824 /nfs/dbraw/zinc/69/38/24/565693824.db2.gz RKALQWLTSAAZPT-LEHBWIKQSA-N 1 2 379.913 2.572 20 30 GFEDLO Cn1cc[nH+]c1[C@@H](NCc1ccc(Br)cc1C#N)C(C)(C)CO ZINC000602880642 565872781 /nfs/dbraw/zinc/87/27/81/565872781.db2.gz HONSCIAJFCXUMZ-OAHLLOKOSA-N 1 2 377.286 2.904 20 30 GFEDLO Cc1cc(NC(=O)[C@H](C)[NH+]2CCN(CCC#N)CC2)ccc1Br ZINC000611174131 566119966 /nfs/dbraw/zinc/11/99/66/566119966.db2.gz WUGGFFFPGWJEHQ-AWEZNQCLSA-N 1 2 379.302 2.616 20 30 GFEDLO Cc1cc(C)n(N=CC(C)(C)C[N@H+](C)Cc2ccccc2)c(=O)c1-c1nn[nH]n1 ZINC000822198711 606166892 /nfs/dbraw/zinc/16/68/92/606166892.db2.gz HINLHMYGXPNUAB-UHFFFAOYSA-N 1 2 393.495 2.637 20 30 GFEDLO Cc1cc(C)n(N=CC(C)(C)C[N@@H+](C)Cc2ccccc2)c(=O)c1-c1nn[nH]n1 ZINC000822198711 606166893 /nfs/dbraw/zinc/16/68/93/606166893.db2.gz HINLHMYGXPNUAB-UHFFFAOYSA-N 1 2 393.495 2.637 20 30 GFEDLO N#Cc1ccc(/C=C2\SC(=S)N(CCC[NH+]3CCOCC3)C2=O)s1 ZINC000267373827 654925738 /nfs/dbraw/zinc/92/57/38/654925738.db2.gz UANQTYQWNHXERN-UVTDQMKNSA-N 1 2 379.532 2.543 20 30 GFEDLO C#CCN(C(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1)C1CC1 ZINC000274103583 655172935 /nfs/dbraw/zinc/17/29/35/655172935.db2.gz KJXJFXBPPUKBIZ-UHFFFAOYSA-N 1 2 375.270 2.755 20 30 GFEDLO C[C@@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC[S@]1=O ZINC000277260578 655310166 /nfs/dbraw/zinc/31/01/66/655310166.db2.gz QVXGYIBBYDECRV-YMXBGEKHSA-N 1 2 379.551 2.670 20 30 GFEDLO C[C@@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC[S@]1=O ZINC000277260578 655310169 /nfs/dbraw/zinc/31/01/69/655310169.db2.gz QVXGYIBBYDECRV-YMXBGEKHSA-N 1 2 379.551 2.670 20 30 GFEDLO C=CCOc1c(Br)cc(C[N@@H+]2C[C@@H](O)[C@H](OC)C2)cc1OCC ZINC000449566079 655410575 /nfs/dbraw/zinc/41/05/75/655410575.db2.gz MLGLMOSXTLEXIF-GDBMZVCRSA-N 1 2 386.286 2.604 20 30 GFEDLO C=CCOc1c(Br)cc(C[N@H+]2C[C@@H](O)[C@H](OC)C2)cc1OCC ZINC000449566079 655410576 /nfs/dbraw/zinc/41/05/76/655410576.db2.gz MLGLMOSXTLEXIF-GDBMZVCRSA-N 1 2 386.286 2.604 20 30 GFEDLO C#CCNC(=O)[C@H](C)[NH+]1CCN([C@@H](CC)c2ccc(Br)cc2)CC1 ZINC000728931638 655560171 /nfs/dbraw/zinc/56/01/71/655560171.db2.gz XHAGXGKXDJGECP-YJBOKZPZSA-N 1 2 392.341 2.656 20 30 GFEDLO C#Cc1ccc(C(=O)NCCc2cn3cc(Br)cc(C)c3[nH+]2)cn1 ZINC000754513531 655868957 /nfs/dbraw/zinc/86/89/57/655868957.db2.gz IMNHBQOZUYYMAS-UHFFFAOYSA-N 1 2 383.249 2.754 20 30 GFEDLO C[C@H](C#N)C[NH2+]Cc1ccc(Br)cc1SCCS(C)(=O)=O ZINC000757907653 655918342 /nfs/dbraw/zinc/91/83/42/655918342.db2.gz SWVPFALBRKLMCW-LLVKDONJSA-N 1 2 391.356 2.835 20 30 GFEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cc(-c2ccc(Br)s2)[nH]n1 ZINC000768339308 656237521 /nfs/dbraw/zinc/23/75/21/656237521.db2.gz VOWNDSQZFDXBKC-NSHDSACASA-N 1 2 379.283 2.937 20 30 GFEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(-c2ccc(Br)s2)[nH]n1 ZINC000768339308 656237525 /nfs/dbraw/zinc/23/75/25/656237525.db2.gz VOWNDSQZFDXBKC-NSHDSACASA-N 1 2 379.283 2.937 20 30 GFEDLO COC(=O)c1ccc(N[NH+]=Cc2cnc(N3CCOCC3)s2)cc1Cl ZINC000782238668 657117878 /nfs/dbraw/zinc/11/78/78/657117878.db2.gz SMNDJALTQBSGLU-UHFFFAOYSA-N 1 2 380.857 2.866 20 30 GFEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2cc(Br)ccc2O)n1 ZINC000789760951 657888784 /nfs/dbraw/zinc/88/87/84/657888784.db2.gz RFBKSVFRJNUNNH-UHFFFAOYSA-N 1 2 378.270 2.633 20 30 GFEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2cc(Br)ccc2O)n1 ZINC000789760951 657888787 /nfs/dbraw/zinc/88/87/87/657888787.db2.gz RFBKSVFRJNUNNH-UHFFFAOYSA-N 1 2 378.270 2.633 20 30 GFEDLO N#CCC1CC[NH+](CN2Cc3cc(Br)c([N+](=O)[O-])cc3C2=O)CC1 ZINC000795444553 658820167 /nfs/dbraw/zinc/82/01/67/658820167.db2.gz MEVUAYBPXYSPIU-UHFFFAOYSA-N 1 2 393.241 2.896 20 30 GFEDLO C#C[C@@H]1CCC[N@@H+](CN2C(=O)N[C@@](C)(c3ccccc3Br)C2=O)C1 ZINC000848492647 661655550 /nfs/dbraw/zinc/65/55/50/661655550.db2.gz HYYUEAWGGCCGBD-ACJLOTCBSA-N 1 2 390.281 2.519 20 30 GFEDLO C#C[C@@H]1CCC[N@H+](CN2C(=O)N[C@@](C)(c3ccccc3Br)C2=O)C1 ZINC000848492647 661655556 /nfs/dbraw/zinc/65/55/56/661655556.db2.gz HYYUEAWGGCCGBD-ACJLOTCBSA-N 1 2 390.281 2.519 20 30 GFEDLO N#Cc1ccc(C[N@H+]2CCCN(c3ncnc(F)c3Br)CC2)cc1 ZINC000853107264 661882516 /nfs/dbraw/zinc/88/25/16/661882516.db2.gz RGZJDWDPABWRJS-UHFFFAOYSA-N 1 2 390.260 2.962 20 30 GFEDLO N#Cc1ccc(C[N@@H+]2CCCN(c3ncnc(F)c3Br)CC2)cc1 ZINC000853107264 661882519 /nfs/dbraw/zinc/88/25/19/661882519.db2.gz RGZJDWDPABWRJS-UHFFFAOYSA-N 1 2 390.260 2.962 20 30 GFEDLO Nc1cnc(C[N@@H+]2C[C@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)cn1 ZINC000904428227 663833802 /nfs/dbraw/zinc/83/38/02/663833802.db2.gz GZTVBOLZCXGRET-OCAPTIKFSA-N 1 2 376.251 2.662 20 30 GFEDLO Nc1cnc(C[N@H+]2C[C@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)cn1 ZINC000904428227 663833806 /nfs/dbraw/zinc/83/38/06/663833806.db2.gz GZTVBOLZCXGRET-OCAPTIKFSA-N 1 2 376.251 2.662 20 30 GFEDLO C#CC[NH+]1CCC(NS(=O)(=O)c2ccc(-c3csc(C)n3)s2)CC1 ZINC000921438079 664548523 /nfs/dbraw/zinc/54/85/23/664548523.db2.gz PLMXCIOUGMHTMG-UHFFFAOYSA-N 1 2 381.548 2.556 20 30 GFEDLO C=C(Br)C[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000968955035 665014704 /nfs/dbraw/zinc/01/47/04/665014704.db2.gz KERVMCPQEIDMHH-NEXGVSGLSA-N 1 2 383.330 2.679 20 30 GFEDLO C=C(Br)C[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000968955035 665014707 /nfs/dbraw/zinc/01/47/07/665014707.db2.gz KERVMCPQEIDMHH-NEXGVSGLSA-N 1 2 383.330 2.679 20 30 GFEDLO N#Cc1cc(C(F)(F)N2CCc3onc(Cn4cc[nH+]c4)c3C2)cnc1Cl ZINC001164677663 719565203 /nfs/dbraw/zinc/56/52/03/719565203.db2.gz QRVYQVCDMBIZBR-UHFFFAOYSA-N 1 2 390.781 2.947 20 30 GFEDLO Cc1nc(CN2CCO[C@H]3CCN(c4cc(CC#N)cc[nH+]4)CC[C@H]32)cs1 ZINC001164989241 722184155 /nfs/dbraw/zinc/18/41/55/722184155.db2.gz LSBSPVMNBNLTIV-MOPGFXCFSA-N 1 2 383.521 2.782 20 30 GFEDLO N#Cc1cc(Br)cc(S(=O)(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)c1 ZINC000359959086 212127389 /nfs/dbraw/zinc/12/73/89/212127389.db2.gz LNAWJHUBMBRCHE-CYBMUJFWSA-N 1 2 381.255 2.570 20 30 GFEDLO N#Cc1cc(S(=O)(=O)NCc2cc[nH+]c(N3CCCC3)c2)ccc1Cl ZINC000056013513 551175773 /nfs/dbraw/zinc/17/57/73/551175773.db2.gz NWJZGKSMZICEIH-UHFFFAOYSA-N 1 2 376.869 2.685 20 30 GFEDLO N#Cc1cc(Br)cc(S(=O)(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)c1 ZINC000121450997 551234968 /nfs/dbraw/zinc/23/49/68/551234968.db2.gz OTQQJSDFBNDWNK-AWEZNQCLSA-N 1 2 395.282 2.960 20 30 GFEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Nc1ccc(F)cc1Br ZINC000132809378 551379140 /nfs/dbraw/zinc/37/91/40/551379140.db2.gz HIRRRUYSLUTOOD-UHFFFAOYSA-N 1 2 399.264 2.668 20 30 GFEDLO CCN(CC)c1ccc(CNS(=O)(=O)c2cccc(Cl)c2C#N)c[nH+]1 ZINC000156530678 551524658 /nfs/dbraw/zinc/52/46/58/551524658.db2.gz MSIJARVXLOQQPC-UHFFFAOYSA-N 1 2 378.885 2.931 20 30 GFEDLO N#Cc1cc(C[NH+]2CCC(NS(=O)(=O)c3cccs3)CC2)ccc1F ZINC000160618280 551583534 /nfs/dbraw/zinc/58/35/34/551583534.db2.gz CSXDRWMFYZLZDC-UHFFFAOYSA-N 1 2 379.482 2.702 20 30 GFEDLO CC(C)c1ccc(S(=O)(=O)N2CC[NH+](CCCSCC#N)CC2)cc1 ZINC000173855298 552094857 /nfs/dbraw/zinc/09/48/57/552094857.db2.gz AXUYSOYEZJRMNO-UHFFFAOYSA-N 1 2 381.567 2.763 20 30 GFEDLO CN(CCC#N)C(=O)CC[N@@H+]1CCO[C@H](c2cccc(Br)c2)C1 ZINC000181554131 552260389 /nfs/dbraw/zinc/26/03/89/552260389.db2.gz BVOQQQKIHFCXGT-INIZCTEOSA-N 1 2 380.286 2.585 20 30 GFEDLO CN(CCC#N)C(=O)CC[N@H+]1CCO[C@H](c2cccc(Br)c2)C1 ZINC000181554131 552260391 /nfs/dbraw/zinc/26/03/91/552260391.db2.gz BVOQQQKIHFCXGT-INIZCTEOSA-N 1 2 380.286 2.585 20 30 GFEDLO C[C@H](CNS(=O)(=O)c1ccc(C#N)cc1Cl)[N@@H+]1CCc2sccc2C1 ZINC000183475934 552310712 /nfs/dbraw/zinc/31/07/12/552310712.db2.gz HTKZIYDYPBEVHZ-GFCCVEGCSA-N 1 2 395.937 2.998 20 30 GFEDLO C[C@H](CNS(=O)(=O)c1ccc(C#N)cc1Cl)[N@H+]1CCc2sccc2C1 ZINC000183475934 552310714 /nfs/dbraw/zinc/31/07/14/552310714.db2.gz HTKZIYDYPBEVHZ-GFCCVEGCSA-N 1 2 395.937 2.998 20 30 GFEDLO N#Cc1ccc(Br)c(C[N@H+](CCO)CCOCC(F)(F)F)c1 ZINC000191790323 552537812 /nfs/dbraw/zinc/53/78/12/552537812.db2.gz JXISFRBGBUILJG-UHFFFAOYSA-N 1 2 381.192 2.694 20 30 GFEDLO N#Cc1ccc(Br)c(C[N@@H+](CCO)CCOCC(F)(F)F)c1 ZINC000191790323 552537813 /nfs/dbraw/zinc/53/78/13/552537813.db2.gz JXISFRBGBUILJG-UHFFFAOYSA-N 1 2 381.192 2.694 20 30 GFEDLO COc1ccc(Br)c([C@@H](CO)[N@H+](C)Cc2cc(C#N)n(C)c2)c1 ZINC000295106506 563229613 /nfs/dbraw/zinc/22/96/13/563229613.db2.gz VORHWGVLUBHXPM-QGZVFWFLSA-N 1 2 378.270 2.833 20 30 GFEDLO COc1ccc(Br)c([C@@H](CO)[N@@H+](C)Cc2cc(C#N)n(C)c2)c1 ZINC000295106506 563229616 /nfs/dbraw/zinc/22/96/16/563229616.db2.gz VORHWGVLUBHXPM-QGZVFWFLSA-N 1 2 378.270 2.833 20 30 GFEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(=O)Nc2ccc(C)cc2Br)C1=O ZINC000281273904 563372059 /nfs/dbraw/zinc/37/20/59/563372059.db2.gz IEXAYKYSXAVEOU-CJNGLKHVSA-N 1 2 394.313 2.803 20 30 GFEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)C(=O)Nc2ccc(C)cc2Br)C1=O ZINC000281273904 563372061 /nfs/dbraw/zinc/37/20/61/563372061.db2.gz IEXAYKYSXAVEOU-CJNGLKHVSA-N 1 2 394.313 2.803 20 30 GFEDLO C[C@H](NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1)c1ncc(Br)cn1 ZINC000329117470 563472983 /nfs/dbraw/zinc/47/29/83/563472983.db2.gz NWMFJLMASWBYGM-FZMZJTMJSA-N 1 2 383.290 2.900 20 30 GFEDLO C[C@H](NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1)c1ncc(Br)cn1 ZINC000329117470 563472988 /nfs/dbraw/zinc/47/29/88/563472988.db2.gz NWMFJLMASWBYGM-FZMZJTMJSA-N 1 2 383.290 2.900 20 30 GFEDLO Cc1cc(S(=O)(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)ccc1C#N ZINC000331283641 563543518 /nfs/dbraw/zinc/54/35/18/563543518.db2.gz KIOZOHRMKQISCD-OAHLLOKOSA-N 1 2 375.519 2.996 20 30 GFEDLO C[C@@H]([NH2+][C@@H](C)c1ncc(Br)cn1)C(=O)NC1(C#N)CCCCC1 ZINC000431078002 563552966 /nfs/dbraw/zinc/55/29/66/563552966.db2.gz RIVPWKLORNOPRT-NWDGAFQWSA-N 1 2 380.290 2.621 20 30 GFEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000287350299 563598129 /nfs/dbraw/zinc/59/81/29/563598129.db2.gz XKLTYCDSYGMACC-IUODEOHRSA-N 1 2 393.285 2.648 20 30 GFEDLO N#Cc1cc(Br)ccc1C[NH+]1CCC(N2CCCNC2=O)CC1 ZINC000287923685 563623114 /nfs/dbraw/zinc/62/31/14/563623114.db2.gz WIEZOMQKAGNJTI-UHFFFAOYSA-N 1 2 377.286 2.700 20 30 GFEDLO CC(C)[C@@H](NS(=O)(=O)c1cc(Br)cc(C#N)c1)c1[nH]cc[nH+]1 ZINC000288910135 563661570 /nfs/dbraw/zinc/66/15/70/563661570.db2.gz KRULQRCUGJUWOQ-CYBMUJFWSA-N 1 2 383.271 2.719 20 30 GFEDLO CCn1c(SC[C@H](O)C[N@H+](C)CCC#N)nnc1-c1cccc(Cl)c1 ZINC000414096131 563718823 /nfs/dbraw/zinc/71/88/23/563718823.db2.gz LIMCNRKNKVKLCM-OAHLLOKOSA-N 1 2 379.917 2.917 20 30 GFEDLO CCn1c(SC[C@H](O)C[N@@H+](C)CCC#N)nnc1-c1cccc(Cl)c1 ZINC000414096131 563718826 /nfs/dbraw/zinc/71/88/26/563718826.db2.gz LIMCNRKNKVKLCM-OAHLLOKOSA-N 1 2 379.917 2.917 20 30 GFEDLO N#Cc1ccsc1NC(=O)C[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC000363494883 563724300 /nfs/dbraw/zinc/72/43/00/563724300.db2.gz FZWRAMVEXZHBQW-UHFFFAOYSA-N 1 2 394.298 2.854 20 30 GFEDLO N#Cc1cnc2c(Br)cccc2c1N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000440653581 563745832 /nfs/dbraw/zinc/74/58/32/563745832.db2.gz JJAPLXLSDIQPRA-UHFFFAOYSA-N 1 2 397.280 2.914 20 30 GFEDLO N#Cc1ccc(Br)cc1S(=O)(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000416423353 563827381 /nfs/dbraw/zinc/82/73/81/563827381.db2.gz UNKLGGKTOYKXOM-GFCCVEGCSA-N 1 2 395.282 2.612 20 30 GFEDLO N#Cc1cc(Br)ccc1C(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000294517008 563845078 /nfs/dbraw/zinc/84/50/78/563845078.db2.gz RANTZXMJNIBTPJ-UHFFFAOYSA-N 1 2 385.265 2.674 20 30 GFEDLO Cn1cc[nH+]c1[C@@H](NS(=O)(=O)CC1(CC#N)CC1)c1ccc(Cl)cc1 ZINC000451004005 564262313 /nfs/dbraw/zinc/26/23/13/564262313.db2.gz VSHDWOYJKPDVMX-HNNXBMFYSA-N 1 2 378.885 2.776 20 30 GFEDLO Cc1cn2c([nH+]1)[C@H](CNS(=O)(=O)c1ccc(CC#N)cc1Cl)CCC2 ZINC000451345669 564302831 /nfs/dbraw/zinc/30/28/31/564302831.db2.gz MAOFMLOQOJRHAD-AWEZNQCLSA-N 1 2 378.885 2.767 20 30 GFEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](c2cccc(Br)c2)C1 ZINC000451570867 564326782 /nfs/dbraw/zinc/32/67/82/564326782.db2.gz QNODQOGZWUQIDE-OCCSQVGLSA-N 1 2 380.286 2.639 20 30 GFEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@H](c2cccc(Br)c2)C1 ZINC000451570867 564326784 /nfs/dbraw/zinc/32/67/84/564326784.db2.gz QNODQOGZWUQIDE-OCCSQVGLSA-N 1 2 380.286 2.639 20 30 GFEDLO Cc1nc(NS(=O)(=O)c2ccc(C[NH+](C)C)cc2)sc1SCC#N ZINC000476239466 564332633 /nfs/dbraw/zinc/33/26/33/564332633.db2.gz PYHNCGWKPSKGKZ-UHFFFAOYSA-N 1 2 382.536 2.930 20 30 GFEDLO CC[C@@H](C)[NH+]1CCN(S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000451975391 564375135 /nfs/dbraw/zinc/37/51/35/564375135.db2.gz VEEVNFPMAHZDOB-GFCCVEGCSA-N 1 2 375.416 2.682 20 30 GFEDLO C[N@H+](CCOc1ccccc1Cl)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000478412494 564401441 /nfs/dbraw/zinc/40/14/41/564401441.db2.gz CTWXTDPPHNDNBQ-UHFFFAOYSA-N 1 2 378.881 2.996 20 30 GFEDLO C[N@@H+](CCOc1ccccc1Cl)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000478412494 564401445 /nfs/dbraw/zinc/40/14/45/564401445.db2.gz CTWXTDPPHNDNBQ-UHFFFAOYSA-N 1 2 378.881 2.996 20 30 GFEDLO C[C@@H]1C[C@H](NS(=O)(=O)c2cc(Br)ccc2C#N)c2[nH+]ccn21 ZINC000571057995 564534523 /nfs/dbraw/zinc/53/45/23/564534523.db2.gz UEURHSXEXYBZHU-SKDRFNHKSA-N 1 2 381.255 2.502 20 30 GFEDLO C=CCNC(=O)NC(=O)C[N@@H+](Cc1cc(Br)ccc1F)C1CC1 ZINC000520174873 564598643 /nfs/dbraw/zinc/59/86/43/564598643.db2.gz GXKAAGSUQDYNLB-UHFFFAOYSA-N 1 2 384.249 2.564 20 30 GFEDLO C=CCNC(=O)NC(=O)C[N@H+](Cc1cc(Br)ccc1F)C1CC1 ZINC000520174873 564598648 /nfs/dbraw/zinc/59/86/48/564598648.db2.gz GXKAAGSUQDYNLB-UHFFFAOYSA-N 1 2 384.249 2.564 20 30 GFEDLO COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000577312111 564733574 /nfs/dbraw/zinc/73/35/74/564733574.db2.gz VGNYKZCJCQXFHJ-DZGCQCFKSA-N 1 2 394.313 2.684 20 30 GFEDLO COCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000577312111 564733579 /nfs/dbraw/zinc/73/35/79/564733579.db2.gz VGNYKZCJCQXFHJ-DZGCQCFKSA-N 1 2 394.313 2.684 20 30 GFEDLO C[C@@H](C#N)CNC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000578162663 564742336 /nfs/dbraw/zinc/74/23/36/564742336.db2.gz DGGKBNJHVBSSGA-LBPRGKRZSA-N 1 2 380.246 2.610 20 30 GFEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)C1=O ZINC000500017214 564942354 /nfs/dbraw/zinc/94/23/54/564942354.db2.gz IVLGUDPMMQAONK-BLLLJJGKSA-N 1 2 384.307 2.889 20 30 GFEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)C1=O ZINC000500017214 564942357 /nfs/dbraw/zinc/94/23/57/564942357.db2.gz IVLGUDPMMQAONK-BLLLJJGKSA-N 1 2 384.307 2.889 20 30 GFEDLO C[C@H](C#N)CSc1ccccc1NC(=O)CSCC[NH+]1CCOCC1 ZINC000536446436 565036721 /nfs/dbraw/zinc/03/67/21/565036721.db2.gz CDRVKIAWEMGMIQ-OAHLLOKOSA-N 1 2 379.551 2.942 20 30 GFEDLO C=CCNC(=O)CN1CC[NH+]([C@H]2CCCc3ccc(Br)cc32)CC1 ZINC000536685010 565045305 /nfs/dbraw/zinc/04/53/05/565045305.db2.gz HCEMFFAHGXVJDI-SFHVURJKSA-N 1 2 392.341 2.746 20 30 GFEDLO N#Cc1cc(Br)ccc1CC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000593103135 565313612 /nfs/dbraw/zinc/31/36/12/565313612.db2.gz GSWKHMNARYNXCH-INIZCTEOSA-N 1 2 385.265 2.653 20 30 GFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)Cc1cc(Cl)c(Br)cc1F ZINC000593153655 565316307 /nfs/dbraw/zinc/31/63/07/565316307.db2.gz ZSDUNPJHCXZMJH-CQSZACIVSA-N 1 2 376.657 2.744 20 30 GFEDLO C=CCOCCCNC(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000661791167 565337479 /nfs/dbraw/zinc/33/74/79/565337479.db2.gz CXAGCVPDOPKGHR-UHFFFAOYSA-N 1 2 381.274 2.797 20 30 GFEDLO C=CC[N@H+](CC(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1)C(C)(C)C ZINC000661755507 565337952 /nfs/dbraw/zinc/33/79/52/565337952.db2.gz NLAOSCWBBZUKES-HNNXBMFYSA-N 1 2 384.567 2.550 20 30 GFEDLO C=CC[N@@H+](CC(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1)C(C)(C)C ZINC000661755507 565337957 /nfs/dbraw/zinc/33/79/57/565337957.db2.gz NLAOSCWBBZUKES-HNNXBMFYSA-N 1 2 384.567 2.550 20 30 GFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cc(Br)cc(N2CCCC2)c1 ZINC000598837904 565644082 /nfs/dbraw/zinc/64/40/82/565644082.db2.gz ZXZZDBIOVOSUEL-KRWDZBQOSA-N 1 2 379.302 2.623 20 30 GFEDLO N#Cc1ccc(S(=O)(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)cc1Cl ZINC000603660351 565913096 /nfs/dbraw/zinc/91/30/96/565913096.db2.gz QBZDLSRQHJMBJF-INIZCTEOSA-N 1 2 379.869 2.920 20 30 GFEDLO C=CC[N@@H+](Cc1c(C)nc2sc(C)nn21)Cc1cccc(-c2nn[nH]n2)c1 ZINC000823915571 608633112 /nfs/dbraw/zinc/63/31/12/608633112.db2.gz ZZLKYKPNNZKFAC-UHFFFAOYSA-N 1 2 380.481 2.776 20 30 GFEDLO C=CC[N@H+](Cc1c(C)nc2sc(C)nn21)Cc1cccc(-c2nn[nH]n2)c1 ZINC000823915571 608633114 /nfs/dbraw/zinc/63/31/14/608633114.db2.gz ZZLKYKPNNZKFAC-UHFFFAOYSA-N 1 2 380.481 2.776 20 30 GFEDLO N#Cc1c(Br)cccc1OCC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000562680599 655424046 /nfs/dbraw/zinc/42/40/46/655424046.db2.gz MJVMPTKVWCBGNT-CYBMUJFWSA-N 1 2 389.253 2.587 20 30 GFEDLO Cc1cccn2c(CN=Nc3ncnc4c3c(Br)nn4C)c[nH+]c12 ZINC000755683756 655887217 /nfs/dbraw/zinc/88/72/17/655887217.db2.gz UAJHVQBLWHPMAW-UHFFFAOYSA-N 1 2 385.229 2.528 20 30 GFEDLO FC1(F)[C@H]2C[NH+](CN3CCOC3=S)C[C@@H]2C(F)(F)C(F)(F)C1(F)F ZINC000902524174 663762441 /nfs/dbraw/zinc/76/24/41/663762441.db2.gz PGJBEOHAVSNQCB-BQBZGAKWSA-N 1 2 384.292 2.664 20 30 GFEDLO C[C@H]1CC(=O)N(C[N@@H+]2C[C@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)C1 ZINC000902522233 663762561 /nfs/dbraw/zinc/76/25/61/663762561.db2.gz ABBTUUZQEIYHMX-XHNCKOQMSA-N 1 2 380.279 2.915 20 30 GFEDLO C[C@H]1CC(=O)N(C[N@H+]2C[C@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)C1 ZINC000902522233 663762564 /nfs/dbraw/zinc/76/25/64/663762564.db2.gz ABBTUUZQEIYHMX-XHNCKOQMSA-N 1 2 380.279 2.915 20 30 GFEDLO Cc1ncc(C#N)c(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)n1 ZINC001164671438 719502217 /nfs/dbraw/zinc/50/22/17/719502217.db2.gz FMXHGTBUPLQEED-UHFFFAOYSA-N 1 2 381.455 2.667 20 30 GFEDLO Cc1ncc(C#N)c(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)n1 ZINC001164671438 719502218 /nfs/dbraw/zinc/50/22/18/719502218.db2.gz FMXHGTBUPLQEED-UHFFFAOYSA-N 1 2 381.455 2.667 20 30 GFEDLO C=CCC[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000121011000 551225246 /nfs/dbraw/zinc/22/52/46/551225246.db2.gz VVVQNCWPVGBLJW-CQSZACIVSA-N 1 2 393.336 2.627 20 30 GFEDLO Cc1ccc(Br)c(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000129437171 551357358 /nfs/dbraw/zinc/35/73/58/551357358.db2.gz MKKGYUVESKEPOZ-UHFFFAOYSA-N 1 2 395.301 2.837 20 30 GFEDLO CC(C)c1[nH+]c2c(n1C)CCN(S(=O)(=O)c1cccc(Cl)c1C#N)C2 ZINC000157540679 551539401 /nfs/dbraw/zinc/53/94/01/551539401.db2.gz WYKIAAYKPPCTSW-UHFFFAOYSA-N 1 2 378.885 2.816 20 30 GFEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)/C=C/c1cc(Br)cs1 ZINC000172937432 551690253 /nfs/dbraw/zinc/69/02/53/551690253.db2.gz IFWDNBZXKAFKIS-NSCUHMNNSA-N 1 2 398.326 2.598 20 30 GFEDLO N#CCCN(C(=O)C[N@H+]1CC[C@](O)(C(F)(F)F)C1)c1cccc(Cl)c1 ZINC000175788864 552129395 /nfs/dbraw/zinc/12/93/95/552129395.db2.gz KNGYPRAPVJLPAK-OAHLLOKOSA-N 1 2 375.778 2.586 20 30 GFEDLO N#CCCN(C(=O)C[N@@H+]1CC[C@](O)(C(F)(F)F)C1)c1cccc(Cl)c1 ZINC000175788864 552129398 /nfs/dbraw/zinc/12/93/98/552129398.db2.gz KNGYPRAPVJLPAK-OAHLLOKOSA-N 1 2 375.778 2.586 20 30 GFEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1sccc1Br ZINC000176376267 552140036 /nfs/dbraw/zinc/14/00/36/552140036.db2.gz VSDDNMDNXLZVEF-LLVKDONJSA-N 1 2 378.299 2.883 20 30 GFEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1sccc1Br ZINC000176376267 552140038 /nfs/dbraw/zinc/14/00/38/552140038.db2.gz VSDDNMDNXLZVEF-LLVKDONJSA-N 1 2 378.299 2.883 20 30 GFEDLO C[NH+](C)[C@H](CNS(=O)(=O)Cc1cccc(C#N)c1)c1ccccc1Cl ZINC000192966816 552979119 /nfs/dbraw/zinc/97/91/19/552979119.db2.gz YGUIMYCOUVFVKG-GOSISDBHSA-N 1 2 377.897 2.934 20 30 GFEDLO C=CCOc1ccc(C[NH2+]Cc2nn(C)cc2I)cc1 ZINC000449606664 564193319 /nfs/dbraw/zinc/19/33/19/564193319.db2.gz RTYCRYKAERDIRR-UHFFFAOYSA-N 1 2 383.233 2.879 20 30 GFEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)cc1Cl ZINC000277785086 563226259 /nfs/dbraw/zinc/22/62/59/563226259.db2.gz OEZIYVBKKMVOQW-NHYWBVRUSA-N 1 2 375.778 2.785 20 30 GFEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)cc1Cl ZINC000277785086 563226260 /nfs/dbraw/zinc/22/62/60/563226260.db2.gz OEZIYVBKKMVOQW-NHYWBVRUSA-N 1 2 375.778 2.785 20 30 GFEDLO N#Cc1sc(NCc2cccc(OCC[NH+]3CCOCC3)c2)nc1Cl ZINC000278697016 563267169 /nfs/dbraw/zinc/26/71/69/563267169.db2.gz MPIVBTBVTYQYFG-UHFFFAOYSA-N 1 2 378.885 2.991 20 30 GFEDLO Cc1nc(C[N@@H+]2CCCN(C(=O)c3ccc(C#N)c(Cl)n3)CC2)cs1 ZINC000375095495 563390038 /nfs/dbraw/zinc/39/00/38/563390038.db2.gz VWHFAVISGUYJAP-UHFFFAOYSA-N 1 2 375.885 2.720 20 30 GFEDLO Cc1nc(C[N@H+]2CCCN(C(=O)c3ccc(C#N)c(Cl)n3)CC2)cs1 ZINC000375095495 563390042 /nfs/dbraw/zinc/39/00/42/563390042.db2.gz VWHFAVISGUYJAP-UHFFFAOYSA-N 1 2 375.885 2.720 20 30 GFEDLO Cc1cc(NC[C@@H](CO)Cc2cc(Br)ccc2F)c(C#N)c[nH+]1 ZINC000425266131 563415673 /nfs/dbraw/zinc/41/56/73/563415673.db2.gz GXZREAAKJDSDQM-LBPRGKRZSA-N 1 2 378.245 2.848 20 30 GFEDLO CC[N@@H+]1C[C@H](C)N(C(=O)N[C@H]2C[C@H](C)S(=O)(=O)c3sccc32)C[C@H]1C ZINC000329606499 563483622 /nfs/dbraw/zinc/48/36/22/563483622.db2.gz HZRPQHHHNDTEFA-OSFYFWSMSA-N 1 2 385.555 2.684 20 30 GFEDLO CC[N@H+]1C[C@H](C)N(C(=O)N[C@H]2C[C@H](C)S(=O)(=O)c3sccc32)C[C@H]1C ZINC000329606499 563483624 /nfs/dbraw/zinc/48/36/24/563483624.db2.gz HZRPQHHHNDTEFA-OSFYFWSMSA-N 1 2 385.555 2.684 20 30 GFEDLO [O-]C(N[C@H]1CCOc2ccc(Br)cc21)=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330169140 563497919 /nfs/dbraw/zinc/49/79/19/563497919.db2.gz BGAJJTARWIPLGA-OCCSQVGLSA-N 1 2 391.269 2.988 20 30 GFEDLO CCOc1c(Cl)cc(NC(=O)NC[C@@H]2CN(C)CC[N@@H+]2C)cc1Cl ZINC000330997098 563530746 /nfs/dbraw/zinc/53/07/46/563530746.db2.gz OSNQYAYTJMERCY-GFCCVEGCSA-N 1 2 375.300 2.964 20 30 GFEDLO CCOc1c(Cl)cc(NC(=O)NC[C@@H]2CN(C)CC[N@H+]2C)cc1Cl ZINC000330997098 563530755 /nfs/dbraw/zinc/53/07/55/563530755.db2.gz OSNQYAYTJMERCY-GFCCVEGCSA-N 1 2 375.300 2.964 20 30 GFEDLO Cc1cc(I)ccc1NC(=O)C[NH2+][C@@H]1CCC[C@H]1C#N ZINC000331355844 563547293 /nfs/dbraw/zinc/54/72/93/563547293.db2.gz RDPXEBWOZRNIFG-SMDDNHRTSA-N 1 2 383.233 2.820 20 30 GFEDLO C[C@H]([NH2+]CC(=O)N(C)C1(C#N)CCCCC1)c1ncc(Br)cn1 ZINC000432989288 563599291 /nfs/dbraw/zinc/59/92/91/563599291.db2.gz PNZGAWYQSNPEDZ-LBPRGKRZSA-N 1 2 380.290 2.575 20 30 GFEDLO C[N@H+](CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1)CC(C)(C)C#N ZINC000433283142 563608458 /nfs/dbraw/zinc/60/84/58/563608458.db2.gz CAHWBHPLXMDIPV-UHFFFAOYSA-N 1 2 384.311 2.519 20 30 GFEDLO C[N@@H+](CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1)CC(C)(C)C#N ZINC000433283142 563608460 /nfs/dbraw/zinc/60/84/60/563608460.db2.gz CAHWBHPLXMDIPV-UHFFFAOYSA-N 1 2 384.311 2.519 20 30 GFEDLO N#C[C@@H]1CC[C@H]([NH+]2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)C1 ZINC000293468904 563814321 /nfs/dbraw/zinc/81/43/21/563814321.db2.gz LRSGATVPCIVXNX-OLZOCXBDSA-N 1 2 388.320 2.992 20 30 GFEDLO CC(C)(C)OC(=O)C[NH2+][C@@]1(C)CCN(c2ncc(Br)cc2C#N)C1 ZINC000450503118 564235967 /nfs/dbraw/zinc/23/59/67/564235967.db2.gz WGKDBIWKSROZMC-KRWDZBQOSA-N 1 2 395.301 2.616 20 30 GFEDLO C=CCN(Cc1c[nH+]c2c(C)cc(Br)cn12)[C@H]1CCS(=O)(=O)C1 ZINC000541536833 564282775 /nfs/dbraw/zinc/28/27/75/564282775.db2.gz QQTZDQUHHBYWPO-AWEZNQCLSA-N 1 2 398.326 2.580 20 30 GFEDLO C[C@H]1CCN(S(=O)(=O)c2ccc(CC#N)cc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000451307023 564299164 /nfs/dbraw/zinc/29/91/64/564299164.db2.gz BKNRIUNPGPAJCI-BBRMVZONSA-N 1 2 378.885 2.874 20 30 GFEDLO C[N@H+](Cc1ccccc1)C1CN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)C1 ZINC000510541297 564337721 /nfs/dbraw/zinc/33/77/21/564337721.db2.gz YTBGGQOZQAUIAP-UHFFFAOYSA-N 1 2 375.881 2.717 20 30 GFEDLO C[N@@H+](Cc1ccccc1)C1CN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)C1 ZINC000510541297 564337724 /nfs/dbraw/zinc/33/77/24/564337724.db2.gz YTBGGQOZQAUIAP-UHFFFAOYSA-N 1 2 375.881 2.717 20 30 GFEDLO N#Cc1ccc(CN2CC[C@H]([NH2+]Cc3ncc(Br)s3)C2=O)cc1 ZINC000567562996 564377732 /nfs/dbraw/zinc/37/77/32/564377732.db2.gz NDIHWCUHLJVPDW-ZDUSSCGKSA-N 1 2 391.294 2.668 20 30 GFEDLO C[C@H]([NH2+][C@@H]1CCN(c2sccc2C#N)C1=O)c1ncc(Br)cn1 ZINC000570577495 564512446 /nfs/dbraw/zinc/51/24/46/564512446.db2.gz ZMVUJELLQQBUEF-JOYOIKCWSA-N 1 2 392.282 2.628 20 30 GFEDLO CC(C)[C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)CC[N@@H+]1C ZINC000486627562 564659354 /nfs/dbraw/zinc/65/93/54/564659354.db2.gz KKNSWANWQBVGMK-CQSZACIVSA-N 1 2 375.416 2.538 20 30 GFEDLO CC(C)[C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)CC[N@H+]1C ZINC000486627562 564659355 /nfs/dbraw/zinc/65/93/55/564659355.db2.gz KKNSWANWQBVGMK-CQSZACIVSA-N 1 2 375.416 2.538 20 30 GFEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1c(F)ccc(Br)c1F ZINC000500113997 564946259 /nfs/dbraw/zinc/94/62/59/564946259.db2.gz IAFIGLOXPLWDBQ-UHFFFAOYSA-N 1 2 388.256 2.775 20 30 GFEDLO CN(Cc1[nH+]ccn1CC(F)(F)F)S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000503425140 565019212 /nfs/dbraw/zinc/01/92/12/565019212.db2.gz HMACAVNOOGAVBK-UHFFFAOYSA-N 1 2 392.790 2.791 20 30 GFEDLO C=CCCn1cc(C[NH2+]Cc2cc(Br)c3c(c2)OCCO3)nn1 ZINC000657334207 565098609 /nfs/dbraw/zinc/09/86/09/565098609.db2.gz PISYLUUCOTVIEQ-UHFFFAOYSA-N 1 2 379.258 2.678 20 30 GFEDLO N#Cc1ccc(S(=O)(=O)Nc2ccc3[nH+]ccn3c2)cc1Br ZINC000618973448 565324353 /nfs/dbraw/zinc/32/43/53/565324353.db2.gz UJBKTZBLZDQCNE-UHFFFAOYSA-N 1 2 377.223 2.769 20 30 GFEDLO CC1(C)CN(S(=O)(=O)c2ccsc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000593545623 565340684 /nfs/dbraw/zinc/34/06/84/565340684.db2.gz WQZSUIVRNOQYJQ-UHFFFAOYSA-N 1 2 375.519 2.905 20 30 GFEDLO CC1(C)CN(S(=O)(=O)c2ccsc2C#N)CC[N@H+]1Cc1ccccc1 ZINC000593545623 565340688 /nfs/dbraw/zinc/34/06/88/565340688.db2.gz WQZSUIVRNOQYJQ-UHFFFAOYSA-N 1 2 375.519 2.905 20 30 GFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCN(c2ccc(Br)cc2)CC1 ZINC000595739713 565489946 /nfs/dbraw/zinc/48/99/46/565489946.db2.gz PYYPDGMAPDVFBU-GOSISDBHSA-N 1 2 393.329 2.626 20 30 GFEDLO CC(C)(C#N)c1ccc(C[N@@H+]2CCc3sc(S(N)(=O)=O)cc3C2)cc1 ZINC000595886037 565496865 /nfs/dbraw/zinc/49/68/65/565496865.db2.gz UCCJTRVTBQFESX-UHFFFAOYSA-N 1 2 375.519 2.755 20 30 GFEDLO CC(C)(C#N)c1ccc(C[N@H+]2CCc3sc(S(N)(=O)=O)cc3C2)cc1 ZINC000595886037 565496870 /nfs/dbraw/zinc/49/68/70/565496870.db2.gz UCCJTRVTBQFESX-UHFFFAOYSA-N 1 2 375.519 2.755 20 30 GFEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Nc1cccc(Br)c1F ZINC000597075814 565550213 /nfs/dbraw/zinc/55/02/13/565550213.db2.gz YCPCOXPANZYNSA-UHFFFAOYSA-N 1 2 399.264 2.668 20 30 GFEDLO CC(C)CC[N@H+](CCC#N)Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000602466020 565850176 /nfs/dbraw/zinc/85/01/76/565850176.db2.gz UCZWKJMVVLLRHA-UHFFFAOYSA-N 1 2 388.331 2.858 20 30 GFEDLO CC(C)CC[N@@H+](CCC#N)Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000602466020 565850182 /nfs/dbraw/zinc/85/01/82/565850182.db2.gz UCZWKJMVVLLRHA-UHFFFAOYSA-N 1 2 388.331 2.858 20 30 GFEDLO COc1nsc(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1Br ZINC000602674448 565862446 /nfs/dbraw/zinc/86/24/46/565862446.db2.gz XTDBERCINZDUKZ-LLVKDONJSA-N 1 2 395.282 2.834 20 30 GFEDLO COc1nsc(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1Br ZINC000602674448 565862450 /nfs/dbraw/zinc/86/24/50/565862450.db2.gz XTDBERCINZDUKZ-LLVKDONJSA-N 1 2 395.282 2.834 20 30 GFEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000602987492 565877729 /nfs/dbraw/zinc/87/77/29/565877729.db2.gz IUICFRUWPPQVQU-SUZMYJTESA-N 1 2 375.778 2.641 20 30 GFEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000602987492 565877733 /nfs/dbraw/zinc/87/77/33/565877733.db2.gz IUICFRUWPPQVQU-SUZMYJTESA-N 1 2 375.778 2.641 20 30 GFEDLO CC[N@H+](CC(=O)Nc1oc(C)c(C)c1-c1nn[nH]n1)[C@H](C)c1ccc(C#N)cc1 ZINC000821165576 607363684 /nfs/dbraw/zinc/36/36/84/607363684.db2.gz VDAJJMUCCAALNQ-CYBMUJFWSA-N 1 2 393.451 2.970 20 30 GFEDLO CC[N@@H+](CC(=O)Nc1oc(C)c(C)c1-c1nn[nH]n1)[C@H](C)c1ccc(C#N)cc1 ZINC000821165576 607363686 /nfs/dbraw/zinc/36/36/86/607363686.db2.gz VDAJJMUCCAALNQ-CYBMUJFWSA-N 1 2 393.451 2.970 20 30 GFEDLO Cc1oc(NC(=O)C[N@H+](Cc2ccc(C#N)cc2)C(C)C)c(-c2nn[nH]n2)c1C ZINC000822548037 607366227 /nfs/dbraw/zinc/36/62/27/607366227.db2.gz DQCOTJPHHQRYOI-UHFFFAOYSA-N 1 2 393.451 2.797 20 30 GFEDLO Cc1oc(NC(=O)C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)c(-c2nn[nH]n2)c1C ZINC000822548037 607366229 /nfs/dbraw/zinc/36/62/29/607366229.db2.gz DQCOTJPHHQRYOI-UHFFFAOYSA-N 1 2 393.451 2.797 20 30 GFEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1ccc(Br)cc1O ZINC000824926299 660405468 /nfs/dbraw/zinc/40/54/68/660405468.db2.gz FBCKWKQFGUQAKX-GFCCVEGCSA-N 1 2 388.269 2.527 20 30 GFEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1ccc(Br)cc1O ZINC000824926299 660405471 /nfs/dbraw/zinc/40/54/71/660405471.db2.gz FBCKWKQFGUQAKX-GFCCVEGCSA-N 1 2 388.269 2.527 20 30 GFEDLO COC(=O)C1(C#N)CC[NH+](C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000831687903 660719627 /nfs/dbraw/zinc/71/96/27/660719627.db2.gz ZJGDPYBPHDXEMN-GFCCVEGCSA-N 1 2 387.263 2.512 20 30 GFEDLO COC(=O)C1(C#N)CC[NH+](C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000831687904 660719713 /nfs/dbraw/zinc/71/97/13/660719713.db2.gz ZJGDPYBPHDXEMN-LBPRGKRZSA-N 1 2 387.263 2.512 20 30 GFEDLO C#C[C@H](NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1)c1ccc(Br)cc1 ZINC000833230748 660806267 /nfs/dbraw/zinc/80/62/67/660806267.db2.gz JBOMIGXZZVQIIO-ROUUACIJSA-N 1 2 391.309 2.883 20 30 GFEDLO C#C[C@H](NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1)c1ccc(Br)cc1 ZINC000833230748 660806269 /nfs/dbraw/zinc/80/62/69/660806269.db2.gz JBOMIGXZZVQIIO-ROUUACIJSA-N 1 2 391.309 2.883 20 30 GFEDLO C#CCNC(=O)C1CC[NH+]([C@H](C)C(=O)Nc2cccc(Cl)c2Cl)CC1 ZINC000747820488 655784060 /nfs/dbraw/zinc/78/40/60/655784060.db2.gz YWKFBYMSHAKROM-GFCCVEGCSA-N 1 2 382.291 2.782 20 30 GFEDLO C#CCOc1cccc(Cl)c1C[NH2+]Cc1cccc(S(=O)(=O)NC)c1 ZINC000778160895 656868934 /nfs/dbraw/zinc/86/89/34/656868934.db2.gz YTMYSTWZGJOFBJ-UHFFFAOYSA-N 1 2 378.881 2.550 20 30 GFEDLO O=C1Nc2ccc(Br)c(Cl)c2C1=NNC1=[NH+][C@H]2CCCC[C@@H]2N1 ZINC000788024273 657635161 /nfs/dbraw/zinc/63/51/61/657635161.db2.gz LTYGAQZKXQHTMD-IUCAKERBSA-N 1 2 396.676 2.619 20 30 GFEDLO C#Cc1cncc(C(=O)N(CCn2cc[nH+]c2)Cc2ccc(Br)o2)c1 ZINC000804270238 659631360 /nfs/dbraw/zinc/63/13/60/659631360.db2.gz POMVDVQPLBXHPU-UHFFFAOYSA-N 1 2 399.248 2.958 20 30 GFEDLO C=CCOc1ccccc1C[NH2+]Cc1c(I)cnn1C ZINC000865868769 662448632 /nfs/dbraw/zinc/44/86/32/662448632.db2.gz XFECYWMCQIBACB-UHFFFAOYSA-N 1 2 383.233 2.879 20 30 GFEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(Cc1cccc(Br)c1)C(C)C ZINC000884079970 663064524 /nfs/dbraw/zinc/06/45/24/663064524.db2.gz GPHQIKHSIVYRHN-HNNXBMFYSA-N 1 2 383.286 2.633 20 30 GFEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC(c2cccc(Br)c2)CC1 ZINC000884324590 663068984 /nfs/dbraw/zinc/06/89/84/663068984.db2.gz UEKPPIDKSXTHOE-INIZCTEOSA-N 1 2 395.297 2.602 20 30 GFEDLO N#Cc1ccc(S(=O)(=O)N2CCC(Nc3cccc[nH+]3)CC2)c(Cl)c1 ZINC000920615206 664528436 /nfs/dbraw/zinc/52/84/36/664528436.db2.gz LFECFSDNMJGUNB-UHFFFAOYSA-N 1 2 376.869 2.872 20 30 GFEDLO C[C@H](C[N@@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)S(C)(=O)=O ZINC000932942222 664843553 /nfs/dbraw/zinc/84/35/53/664843553.db2.gz GECTXVBRFUONBT-PRJMDXOYSA-N 1 2 389.308 2.522 20 30 GFEDLO C[C@H](C[N@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)S(C)(=O)=O ZINC000932942222 664843555 /nfs/dbraw/zinc/84/35/55/664843555.db2.gz GECTXVBRFUONBT-PRJMDXOYSA-N 1 2 389.308 2.522 20 30 GFEDLO O=C1C=COC2(CC[NH+](Cc3cn4cc(Br)ccc4n3)CC2)C1 ZINC000933651774 664871137 /nfs/dbraw/zinc/87/11/37/664871137.db2.gz BMHWSPYNWDNCJU-UHFFFAOYSA-N 1 2 376.254 2.935 20 30 GFEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC(O)(C(F)(F)F)CC1 ZINC000128096658 551346695 /nfs/dbraw/zinc/34/66/95/551346695.db2.gz LNEOCNFEMKYZFT-SNVBAGLBSA-N 1 2 375.778 2.928 20 30 GFEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)Cc1cc(Br)cn1C ZINC000151455823 551413792 /nfs/dbraw/zinc/41/37/92/551413792.db2.gz OPAYHZANHWSEGE-ZDUSSCGKSA-N 1 2 381.318 2.951 20 30 GFEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)Cc1cc(Br)cn1C ZINC000151455823 551413793 /nfs/dbraw/zinc/41/37/93/551413793.db2.gz OPAYHZANHWSEGE-ZDUSSCGKSA-N 1 2 381.318 2.951 20 30 GFEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cc(O)ccc1Br ZINC000180589498 552230491 /nfs/dbraw/zinc/23/04/91/552230491.db2.gz OYMIMNWQABQGCF-LBPRGKRZSA-N 1 2 388.269 2.527 20 30 GFEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cc(O)ccc1Br ZINC000180589498 552230492 /nfs/dbraw/zinc/23/04/92/552230492.db2.gz OYMIMNWQABQGCF-LBPRGKRZSA-N 1 2 388.269 2.527 20 30 GFEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@H]2C(=O)N2CCOCC2)c(Br)c1 ZINC000181071126 552245307 /nfs/dbraw/zinc/24/53/07/552245307.db2.gz MXEKVUHAHRHQIE-KRWDZBQOSA-N 1 2 392.297 2.534 20 30 GFEDLO N#Cc1ccc(C[N@H+]2CCCC[C@H]2C(=O)N2CCOCC2)c(Br)c1 ZINC000181071126 552245309 /nfs/dbraw/zinc/24/53/09/552245309.db2.gz MXEKVUHAHRHQIE-KRWDZBQOSA-N 1 2 392.297 2.534 20 30 GFEDLO CC[C@@H](C)NC(=O)C[NH+]1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000181439045 552256599 /nfs/dbraw/zinc/25/65/99/552256599.db2.gz BPGUSRXQUGEKLI-RHSMWYFYSA-N 1 2 393.329 2.546 20 30 GFEDLO N#Cc1cc(Cl)ccc1S(=O)(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186111642 552379177 /nfs/dbraw/zinc/37/91/77/552379177.db2.gz SPHIMGWXVMXPKY-UHFFFAOYSA-N 1 2 376.869 2.508 20 30 GFEDLO Cn1cc(C[N@@H+]2CCCN(S(=O)(=O)c3ccc(Cl)s3)CC2)cc1C#N ZINC000191298654 552524083 /nfs/dbraw/zinc/52/40/83/552524083.db2.gz FZBFQMLISPFSMJ-UHFFFAOYSA-N 1 2 398.941 2.508 20 30 GFEDLO Cn1cc(C[N@H+]2CCCN(S(=O)(=O)c3ccc(Cl)s3)CC2)cc1C#N ZINC000191298654 552524084 /nfs/dbraw/zinc/52/40/84/552524084.db2.gz FZBFQMLISPFSMJ-UHFFFAOYSA-N 1 2 398.941 2.508 20 30 GFEDLO C[N@@H+]1CC[C@H](NS(=O)(=O)c2cccc(C#N)c2)[C@H]1c1ccc(Cl)cc1 ZINC000245614782 553094169 /nfs/dbraw/zinc/09/41/69/553094169.db2.gz LGABAFYCRFUDLA-ZWKOTPCHSA-N 1 2 375.881 2.935 20 30 GFEDLO C[N@H+]1CC[C@H](NS(=O)(=O)c2cccc(C#N)c2)[C@H]1c1ccc(Cl)cc1 ZINC000245614782 553094172 /nfs/dbraw/zinc/09/41/72/553094172.db2.gz LGABAFYCRFUDLA-ZWKOTPCHSA-N 1 2 375.881 2.935 20 30 GFEDLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)c1csc([C@@H]2CCCO2)n1 ZINC000328794818 563465690 /nfs/dbraw/zinc/46/56/90/563465690.db2.gz SRIGQQNOAHJAQT-WMLDXEAASA-N 1 2 383.539 2.507 20 30 GFEDLO O=C(N[C@@H]1COc2c1ccc(Cl)c2Cl)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000329694611 563485315 /nfs/dbraw/zinc/48/53/15/563485315.db2.gz BAGKTVKSYVANLG-SMDDNHRTSA-N 1 2 386.279 2.747 20 30 GFEDLO O=C(NCc1cn2cc(Cl)ccc2[nH+]1)N1CCSC2(CCOCC2)C1 ZINC000329967017 563492591 /nfs/dbraw/zinc/49/25/91/563492591.db2.gz VWPHVAVDSWEPMH-UHFFFAOYSA-N 1 2 380.901 3.000 20 30 GFEDLO CC[N@@H+]1C[C@H](C)N(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)C[C@H]1C ZINC000330374359 563502657 /nfs/dbraw/zinc/50/26/57/563502657.db2.gz MRMXGWVZAWCRLN-NEPJUHHUSA-N 1 2 375.416 2.680 20 30 GFEDLO CC[N@H+]1C[C@H](C)N(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)C[C@H]1C ZINC000330374359 563502661 /nfs/dbraw/zinc/50/26/61/563502661.db2.gz MRMXGWVZAWCRLN-NEPJUHHUSA-N 1 2 375.416 2.680 20 30 GFEDLO COc1ccc(NC(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)cc1Br ZINC000330702988 563518054 /nfs/dbraw/zinc/51/80/54/563518054.db2.gz ITFRGHRGJUDLBM-NEPJUHHUSA-N 1 2 386.290 2.893 20 30 GFEDLO Cc1cc(Br)cn2cc(CCNC(=O)NCC3(CC#N)CC3)[nH+]c12 ZINC000430887830 563550318 /nfs/dbraw/zinc/55/03/18/563550318.db2.gz FYYVIFRFGNWFIB-UHFFFAOYSA-N 1 2 390.285 2.941 20 30 GFEDLO C[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc(C#N)s2)[C@H]1c1ccc(Cl)cc1 ZINC000333243921 563625491 /nfs/dbraw/zinc/62/54/91/563625491.db2.gz IYFRCJCWFVRRNI-GDBMZVCRSA-N 1 2 381.910 2.997 20 30 GFEDLO C[N@H+]1CC[C@@H](NS(=O)(=O)c2ccc(C#N)s2)[C@H]1c1ccc(Cl)cc1 ZINC000333243921 563625493 /nfs/dbraw/zinc/62/54/93/563625493.db2.gz IYFRCJCWFVRRNI-GDBMZVCRSA-N 1 2 381.910 2.997 20 30 GFEDLO N#Cc1ccsc1N1CC[C@H]([NH2+][C@@H](CO)c2cccc(Cl)c2F)C1=O ZINC000411669251 563629077 /nfs/dbraw/zinc/62/90/77/563629077.db2.gz JDVINTXJBBNLQV-KBPBESRZSA-N 1 2 379.844 2.841 20 30 GFEDLO N#Cc1c(Br)cccc1S(=O)(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000288344261 563638865 /nfs/dbraw/zinc/63/88/65/563638865.db2.gz XVHQOFZPKNWIRI-ZDUSSCGKSA-N 1 2 395.282 2.960 20 30 GFEDLO C[N@H+](CCC#N)C[C@H](O)CSc1nnc(-c2cccc(Br)c2)o1 ZINC000414102120 563719673 /nfs/dbraw/zinc/71/96/73/563719673.db2.gz USYWSGJHCNDGBQ-ZDUSSCGKSA-N 1 2 397.298 2.798 20 30 GFEDLO C[N@@H+](CCC#N)C[C@H](O)CSc1nnc(-c2cccc(Br)c2)o1 ZINC000414102120 563719676 /nfs/dbraw/zinc/71/96/76/563719676.db2.gz USYWSGJHCNDGBQ-ZDUSSCGKSA-N 1 2 397.298 2.798 20 30 GFEDLO N#CC1(CS(=O)(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)CCCC1 ZINC000442786592 563779807 /nfs/dbraw/zinc/77/98/07/563779807.db2.gz UDYQHRHLRUQFGX-UHFFFAOYSA-N 1 2 381.929 2.701 20 30 GFEDLO N#CC1(CS(=O)(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)CCCC1 ZINC000442786592 563779810 /nfs/dbraw/zinc/77/98/10/563779810.db2.gz UDYQHRHLRUQFGX-UHFFFAOYSA-N 1 2 381.929 2.701 20 30 GFEDLO N#Cc1cc(Cl)ccc1S(=O)(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000443099045 563791665 /nfs/dbraw/zinc/79/16/65/563791665.db2.gz QVIRDUQVLLWKDZ-UHFFFAOYSA-N 1 2 375.881 2.548 20 30 GFEDLO N#Cc1ccc(Br)cc1S(=O)(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000416423354 563827082 /nfs/dbraw/zinc/82/70/82/563827082.db2.gz UNKLGGKTOYKXOM-LBPRGKRZSA-N 1 2 395.282 2.612 20 30 GFEDLO N#Cc1ccc(OCC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1Br ZINC000449833996 564204884 /nfs/dbraw/zinc/20/48/84/564204884.db2.gz ISTJNJRMXNSEJA-ZDUSSCGKSA-N 1 2 389.253 2.829 20 30 GFEDLO COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)CCC(=O)N(C)CCC#N ZINC000540053541 564238413 /nfs/dbraw/zinc/23/84/13/564238413.db2.gz CYDFKDJSLPDHRG-MRXNPFEDSA-N 1 2 386.279 2.901 20 30 GFEDLO COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)CCC(=O)N(C)CCC#N ZINC000540053541 564238414 /nfs/dbraw/zinc/23/84/14/564238414.db2.gz CYDFKDJSLPDHRG-MRXNPFEDSA-N 1 2 386.279 2.901 20 30 GFEDLO C[C@H]1CCN(S(=O)(=O)c2ccc(CC#N)cc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000451307043 564299095 /nfs/dbraw/zinc/29/90/95/564299095.db2.gz BKNRIUNPGPAJCI-XJKSGUPXSA-N 1 2 378.885 2.874 20 30 GFEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](c2cccc(Br)c2)C1 ZINC000451570865 564326330 /nfs/dbraw/zinc/32/63/30/564326330.db2.gz QNODQOGZWUQIDE-GXTWGEPZSA-N 1 2 380.286 2.639 20 30 GFEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H](c2cccc(Br)c2)C1 ZINC000451570865 564326333 /nfs/dbraw/zinc/32/63/33/564326333.db2.gz QNODQOGZWUQIDE-GXTWGEPZSA-N 1 2 380.286 2.639 20 30 GFEDLO Cc1cc(Br)cn2cc(CNc3nccc(C#N)c3[N+](=O)[O-])[nH+]c12 ZINC000544702164 564394724 /nfs/dbraw/zinc/39/47/24/564394724.db2.gz BJHFSWRQORLHTC-UHFFFAOYSA-N 1 2 387.197 2.614 20 30 GFEDLO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H]2COc3c2ccc(Cl)c3Cl)nc1 ZINC000568992200 564444268 /nfs/dbraw/zinc/44/42/68/564444268.db2.gz ZNERDFOTYVWTCQ-CYBMUJFWSA-N 1 2 398.271 2.757 20 30 GFEDLO CN(CC(C)(C)C#N)C(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000455959431 564581683 /nfs/dbraw/zinc/58/16/83/564581683.db2.gz UVBPFYKEVZNKCI-UHFFFAOYSA-N 1 2 396.289 2.694 20 30 GFEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000573362179 564634845 /nfs/dbraw/zinc/63/48/45/564634845.db2.gz BKSWEWUFYCNDRX-WFASDCNBSA-N 1 2 393.285 2.796 20 30 GFEDLO N#Cc1ccc([C@H](C(N)=O)[NH+]2CCN(c3cccc(Br)c3)CC2)cc1 ZINC000583455842 564892395 /nfs/dbraw/zinc/89/23/95/564892395.db2.gz YFLQVBQFEJUUPX-GOSISDBHSA-N 1 2 399.292 2.669 20 30 GFEDLO C=CCNC(=O)C[NH+]1CCN(Cc2ccc(Br)c(Cl)c2)CC1 ZINC000468805435 564994505 /nfs/dbraw/zinc/99/45/05/564994505.db2.gz CJLBVYNSNYKFKC-UHFFFAOYSA-N 1 2 386.721 2.522 20 30 GFEDLO N#CC1(CC(=O)N(CCn2cc[nH+]c2)Cc2ccc(Br)o2)CC1 ZINC000590375044 565186140 /nfs/dbraw/zinc/18/61/40/565186140.db2.gz HSGOIFTVYMKBJE-UHFFFAOYSA-N 1 2 377.242 2.961 20 30 GFEDLO C[N@@H+]1CCO[C@H](CN(CC2CC2)C(=O)c2cccc(C#N)c2Br)C1 ZINC000590737104 565198648 /nfs/dbraw/zinc/19/86/48/565198648.db2.gz WXMOYRYHMFAJGM-HNNXBMFYSA-N 1 2 392.297 2.504 20 30 GFEDLO C[N@H+]1CCO[C@H](CN(CC2CC2)C(=O)c2cccc(C#N)c2Br)C1 ZINC000590737104 565198652 /nfs/dbraw/zinc/19/86/52/565198652.db2.gz WXMOYRYHMFAJGM-HNNXBMFYSA-N 1 2 392.297 2.504 20 30 GFEDLO CC(C)(NC(=O)C1CN(c2ccc(Br)cc2C#N)C1)c1[nH]cc[nH+]1 ZINC000593736992 565359736 /nfs/dbraw/zinc/35/97/36/565359736.db2.gz FBGAJJAQBIQFMG-UHFFFAOYSA-N 1 2 388.269 2.532 20 30 GFEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCN(c2ccc(Br)cc2)CC1 ZINC000595722762 565488342 /nfs/dbraw/zinc/48/83/42/565488342.db2.gz IEVDMUFZPMBLCD-HNNXBMFYSA-N 1 2 393.329 2.579 20 30 GFEDLO COCC[N@H+](CCC#N)C[C@H](O)COc1ccc(Cl)cc1Br ZINC000610391905 566079737 /nfs/dbraw/zinc/07/97/37/566079737.db2.gz CHTMBBSEQGPDGW-ZDUSSCGKSA-N 1 2 391.693 2.704 20 30 GFEDLO COCC[N@@H+](CCC#N)C[C@H](O)COc1ccc(Cl)cc1Br ZINC000610391905 566079740 /nfs/dbraw/zinc/07/97/40/566079740.db2.gz CHTMBBSEQGPDGW-ZDUSSCGKSA-N 1 2 391.693 2.704 20 30 GFEDLO C=CC[N@@H+](CCc1ccccc1)CC(=O)Nc1oc(C)c(C)c1-c1nn[nH]n1 ZINC000819743859 607363904 /nfs/dbraw/zinc/36/39/04/607363904.db2.gz RILDXKVDXRKMNN-UHFFFAOYSA-N 1 2 380.452 2.746 20 30 GFEDLO C=CC[N@H+](CCc1ccccc1)CC(=O)Nc1oc(C)c(C)c1-c1nn[nH]n1 ZINC000819743859 607363906 /nfs/dbraw/zinc/36/39/06/607363906.db2.gz RILDXKVDXRKMNN-UHFFFAOYSA-N 1 2 380.452 2.746 20 30 GFEDLO CC1(C)C[N@H+](Cc2cccc(C#N)c2)CCN1Cc1cccc(-c2nn[nH]n2)c1 ZINC000820601466 606087846 /nfs/dbraw/zinc/08/78/46/606087846.db2.gz MBRGVVXROSTKLT-UHFFFAOYSA-N 1 2 387.491 2.835 20 30 GFEDLO CC1(C)C[N@@H+](Cc2cccc(C#N)c2)CCN1Cc1cccc(-c2nn[nH]n2)c1 ZINC000820601466 606087850 /nfs/dbraw/zinc/08/78/50/606087850.db2.gz MBRGVVXROSTKLT-UHFFFAOYSA-N 1 2 387.491 2.835 20 30 GFEDLO N#Cc1ccc(Br)c(C[NH+]2CCN(c3ccc(C(N)=O)cc3)CC2)c1 ZINC000276894137 655292119 /nfs/dbraw/zinc/29/21/19/655292119.db2.gz KPMQKKJQOVTKPU-UHFFFAOYSA-N 1 2 399.292 2.742 20 30 GFEDLO Cc1cc(C#N)ccc1S(=O)(=O)N1CC[NH2+]C[C@H]1c1ccccc1Cl ZINC000261722078 655442036 /nfs/dbraw/zinc/44/20/36/655442036.db2.gz NPJPNJUVYPYTHO-KRWDZBQOSA-N 1 2 375.881 2.855 20 30 GFEDLO C#CCC[NH+]1CCN(C(=O)CSCc2ccc(Br)cc2)CC1 ZINC000744431899 655740012 /nfs/dbraw/zinc/74/00/12/655740012.db2.gz WKWJOVUVSVSJSG-UHFFFAOYSA-N 1 2 381.339 2.850 20 30 GFEDLO Clc1cccc(-n2cc(C=NNC3=[NH+][C@H]4CCCC[C@@H]4N3)nn2)c1Cl ZINC000755814647 655889321 /nfs/dbraw/zinc/88/93/21/655889321.db2.gz OPLRHLMHTKHRII-STQMWFEESA-N 1 2 378.267 2.768 20 30 GFEDLO Nc1nc(Cl)c(C=[NH+]Nc2ccnc(Br)c2)c(N2CCCC2)n1 ZINC000769800221 656292355 /nfs/dbraw/zinc/29/23/55/656292355.db2.gz TXXBVVVKDMBWBQ-UHFFFAOYSA-N 1 2 396.680 2.916 20 30 GFEDLO Cc1ccsc1CNC(=O)CO[NH+]=C(N)c1ccc(Br)cc1 ZINC000782949410 657195658 /nfs/dbraw/zinc/19/56/58/657195658.db2.gz HIUSBQFONNULKX-UHFFFAOYSA-N 1 2 382.283 2.772 20 30 GFEDLO C#CCCCS(=O)(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000841571670 661305214 /nfs/dbraw/zinc/30/52/14/661305214.db2.gz RABKOIDKBAMPEY-UHFFFAOYSA-N 1 2 399.354 2.746 20 30 GFEDLO C#CCNC(=O)C1CC[NH+](Cc2cc(Cl)cc(Br)c2O)CC1 ZINC000893972425 663434796 /nfs/dbraw/zinc/43/47/96/663434796.db2.gz AIZWFSLJMOYUGQ-UHFFFAOYSA-N 1 2 385.689 2.770 20 30 GFEDLO C=CCc1cc(C[NH2+]Cc2nc(Br)nn2C)cc(OC)c1OC ZINC000894244492 663450812 /nfs/dbraw/zinc/45/08/12/663450812.db2.gz ZSLAGDCSZZBGAC-UHFFFAOYSA-N 1 2 381.274 2.613 20 30 GFEDLO C=CCC1(O)CC[NH+](Cc2cn(-c3ccccc3Br)nn2)CC1 ZINC000895833980 663529561 /nfs/dbraw/zinc/52/95/61/663529561.db2.gz GTDNRIZSUKDTMR-UHFFFAOYSA-N 1 2 377.286 2.933 20 30 GFEDLO C[N@@H+]1CCC[C@H]1c1cc(C(=O)N[C@H](C#N)c2ccc(Br)cc2)[nH]n1 ZINC000900112074 663708409 /nfs/dbraw/zinc/70/84/09/663708409.db2.gz QINXIXPJKSDJFN-CVEARBPZSA-N 1 2 388.269 2.934 20 30 GFEDLO C[N@H+]1CCC[C@H]1c1cc(C(=O)N[C@H](C#N)c2ccc(Br)cc2)[nH]n1 ZINC000900112074 663708411 /nfs/dbraw/zinc/70/84/11/663708411.db2.gz QINXIXPJKSDJFN-CVEARBPZSA-N 1 2 388.269 2.934 20 30 GFEDLO FC1(F)[C@H]2C[N@H+](CN3CCOC3=S)C[C@H]2C(F)(F)C(F)(F)C1(F)F ZINC000902524175 663762512 /nfs/dbraw/zinc/76/25/12/663762512.db2.gz PGJBEOHAVSNQCB-KNVOCYPGSA-N 1 2 384.292 2.664 20 30 GFEDLO FC1(F)[C@H]2C[N@@H+](CN3CCOC3=S)C[C@H]2C(F)(F)C(F)(F)C1(F)F ZINC000902524175 663762514 /nfs/dbraw/zinc/76/25/14/663762514.db2.gz PGJBEOHAVSNQCB-KNVOCYPGSA-N 1 2 384.292 2.664 20 30 GFEDLO C=C(Cl)CSc1nc(C)c(CC(=O)N2CC[NH2+][C@@H](c3cn[nH]c3)C2)s1 ZINC000913458509 664339132 /nfs/dbraw/zinc/33/91/32/664339132.db2.gz PAWOOIAGRPYREX-CYBMUJFWSA-N 1 2 397.957 2.735 20 30 GFEDLO C#CC[NH+]1CCC(NS(=O)(=O)c2c(Cl)cccc2C(F)(F)F)CC1 ZINC000921439068 664548459 /nfs/dbraw/zinc/54/84/59/664548459.db2.gz QJZFMKYCLUMHFU-UHFFFAOYSA-N 1 2 380.819 2.735 20 30 GFEDLO C#Cc1ccc(NC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)c(Cl)c1 ZINC000933371773 664860726 /nfs/dbraw/zinc/86/07/26/664860726.db2.gz VLEYNPVXFWAAMF-SFHVURJKSA-N 1 2 379.913 2.651 20 30 GFEDLO C[C@H]1C[N@H+](CCNC(=O)Nc2ccc(C#N)c(Br)c2)[C@@H](C)CO1 ZINC000596904135 677674353 /nfs/dbraw/zinc/67/43/53/677674353.db2.gz LPRONIVIMRXIAF-RYUDHWBXSA-N 1 2 381.274 2.551 20 30 GFEDLO C[C@H]1C[N@@H+](CCNC(=O)Nc2ccc(C#N)c(Br)c2)[C@@H](C)CO1 ZINC000596904135 677674354 /nfs/dbraw/zinc/67/43/54/677674354.db2.gz LPRONIVIMRXIAF-RYUDHWBXSA-N 1 2 381.274 2.551 20 30 GFEDLO N#CCCCC[NH+]1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000058338506 551183056 /nfs/dbraw/zinc/18/30/56/551183056.db2.gz BBAIUZKFAZCGLC-UHFFFAOYSA-N 1 2 376.309 2.994 20 30 GFEDLO C=CC[N@@H+](CC1=Cc2cc(Br)ccc2OC1)[C@H]1CCS(=O)(=O)C1 ZINC000092361513 551194652 /nfs/dbraw/zinc/19/46/52/551194652.db2.gz PVDDIPFFHNPLRM-INIZCTEOSA-N 1 2 398.322 2.900 20 30 GFEDLO C=CC[N@H+](CC1=Cc2cc(Br)ccc2OC1)[C@H]1CCS(=O)(=O)C1 ZINC000092361513 551194654 /nfs/dbraw/zinc/19/46/54/551194654.db2.gz PVDDIPFFHNPLRM-INIZCTEOSA-N 1 2 398.322 2.900 20 30 GFEDLO C[N@H+](CCOc1ccc(Cl)cc1)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000128169964 551346999 /nfs/dbraw/zinc/34/69/99/551346999.db2.gz IYPBQQDGLTUKDW-UHFFFAOYSA-N 1 2 378.881 2.996 20 30 GFEDLO C[N@@H+](CCOc1ccc(Cl)cc1)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000128169964 551347002 /nfs/dbraw/zinc/34/70/02/551347002.db2.gz IYPBQQDGLTUKDW-UHFFFAOYSA-N 1 2 378.881 2.996 20 30 GFEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1sccc1Br ZINC000176376280 552139981 /nfs/dbraw/zinc/13/99/81/552139981.db2.gz VSDDNMDNXLZVEF-NSHDSACASA-N 1 2 378.299 2.883 20 30 GFEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1sccc1Br ZINC000176376280 552139982 /nfs/dbraw/zinc/13/99/82/552139982.db2.gz VSDDNMDNXLZVEF-NSHDSACASA-N 1 2 378.299 2.883 20 30 GFEDLO C[N@H+](CC(=O)Nc1ccc(Br)cn1)Cc1ccc(C#N)c(F)c1 ZINC000191996004 552544954 /nfs/dbraw/zinc/54/49/54/552544954.db2.gz FIWAVCQOCPHDNV-UHFFFAOYSA-N 1 2 377.217 2.925 20 30 GFEDLO C[N@@H+](CC(=O)Nc1ccc(Br)cn1)Cc1ccc(C#N)c(F)c1 ZINC000191996004 552544956 /nfs/dbraw/zinc/54/49/56/552544956.db2.gz FIWAVCQOCPHDNV-UHFFFAOYSA-N 1 2 377.217 2.925 20 30 GFEDLO CC(C)OCC[NH+]1CCN(C(=O)c2ccc(Br)cc2C#N)CC1 ZINC000295038976 563226301 /nfs/dbraw/zinc/22/63/01/563226301.db2.gz FUTBDIQJCMBROH-UHFFFAOYSA-N 1 2 380.286 2.504 20 30 GFEDLO C[C@@H]1C[N@@H+](CCN(C)C(=O)c2ccc(Br)cc2C#N)C[C@H](C)O1 ZINC000295851162 563265382 /nfs/dbraw/zinc/26/53/82/563265382.db2.gz DJCIZHFSQFKQSP-BETUJISGSA-N 1 2 380.286 2.502 20 30 GFEDLO C[C@@H]1C[N@H+](CCN(C)C(=O)c2ccc(Br)cc2C#N)C[C@H](C)O1 ZINC000295851162 563265385 /nfs/dbraw/zinc/26/53/85/563265385.db2.gz DJCIZHFSQFKQSP-BETUJISGSA-N 1 2 380.286 2.502 20 30 GFEDLO N#Cc1cc(Br)cnc1N1CCC[N@H+](Cc2cscn2)CC1 ZINC000297310582 563322868 /nfs/dbraw/zinc/32/28/68/563322868.db2.gz ZBTIFZNTOXBWAX-UHFFFAOYSA-N 1 2 378.299 2.885 20 30 GFEDLO N#Cc1cc(Br)cnc1N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000297310582 563322872 /nfs/dbraw/zinc/32/28/72/563322872.db2.gz ZBTIFZNTOXBWAX-UHFFFAOYSA-N 1 2 378.299 2.885 20 30 GFEDLO C[C@H](NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1)c1ncc(Br)cn1 ZINC000329117471 563473403 /nfs/dbraw/zinc/47/34/03/563473403.db2.gz NWMFJLMASWBYGM-SMDDNHRTSA-N 1 2 383.290 2.900 20 30 GFEDLO C[C@H](NC(=O)[C@H]1COCC[N@H+]1C1CCCC1)c1ncc(Br)cn1 ZINC000329117471 563473404 /nfs/dbraw/zinc/47/34/04/563473404.db2.gz NWMFJLMASWBYGM-SMDDNHRTSA-N 1 2 383.290 2.900 20 30 GFEDLO COc1ccc(NC(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)cc1Br ZINC000330702989 563518345 /nfs/dbraw/zinc/51/83/45/563518345.db2.gz ITFRGHRGJUDLBM-VXGBXAGGSA-N 1 2 386.290 2.893 20 30 GFEDLO CC(C)[C@H](NS(=O)(=O)c1cc(Br)cc(C#N)c1)c1[nH]cc[nH+]1 ZINC000288911338 563661687 /nfs/dbraw/zinc/66/16/87/563661687.db2.gz KRULQRCUGJUWOQ-ZDUSSCGKSA-N 1 2 383.271 2.719 20 30 GFEDLO CCn1c(SC[C@H](O)C[N@H+](C)CCC#N)nnc1-c1ccc(Cl)cc1 ZINC000414092709 563718991 /nfs/dbraw/zinc/71/89/91/563718991.db2.gz GKWQIFFMYSXDDS-OAHLLOKOSA-N 1 2 379.917 2.917 20 30 GFEDLO CCn1c(SC[C@H](O)C[N@@H+](C)CCC#N)nnc1-c1ccc(Cl)cc1 ZINC000414092709 563718994 /nfs/dbraw/zinc/71/89/94/563718994.db2.gz GKWQIFFMYSXDDS-OAHLLOKOSA-N 1 2 379.917 2.917 20 30 GFEDLO C[N@H+](CCC#N)C[C@@H](O)COc1c(Br)cccc1Br ZINC000414145129 563721289 /nfs/dbraw/zinc/72/12/89/563721289.db2.gz PARJHUKRUAHLMT-SNVBAGLBSA-N 1 2 392.091 2.797 20 30 GFEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1c(Br)cccc1Br ZINC000414145129 563721293 /nfs/dbraw/zinc/72/12/93/563721293.db2.gz PARJHUKRUAHLMT-SNVBAGLBSA-N 1 2 392.091 2.797 20 30 GFEDLO C[C@H](C#N)S(=O)(=O)NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000416368613 563818286 /nfs/dbraw/zinc/81/82/86/563818286.db2.gz GXPIBVQUUOMIAG-PBHICJAKSA-N 1 2 375.519 2.679 20 30 GFEDLO C[C@H](C#N)S(=O)(=O)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000416368613 563818287 /nfs/dbraw/zinc/81/82/87/563818287.db2.gz GXPIBVQUUOMIAG-PBHICJAKSA-N 1 2 375.519 2.679 20 30 GFEDLO Cc1cnc([C@H]2CCC[N@H+](CCS(=O)(=O)c3cccc(C#N)c3)C2)s1 ZINC000366795990 563820398 /nfs/dbraw/zinc/82/03/98/563820398.db2.gz IYSQAKKIWPWGCQ-INIZCTEOSA-N 1 2 375.519 2.977 20 30 GFEDLO Cc1cnc([C@H]2CCC[N@@H+](CCS(=O)(=O)c3cccc(C#N)c3)C2)s1 ZINC000366795990 563820400 /nfs/dbraw/zinc/82/04/00/563820400.db2.gz IYSQAKKIWPWGCQ-INIZCTEOSA-N 1 2 375.519 2.977 20 30 GFEDLO C[C@H](C#N)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccc(I)cc1 ZINC000478446229 564402422 /nfs/dbraw/zinc/40/24/22/564402422.db2.gz MBNCABRTJHZLIL-DOMZBBRYSA-N 1 2 397.260 2.531 20 30 GFEDLO C[C@H](C#N)C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccc(I)cc1 ZINC000478446229 564402426 /nfs/dbraw/zinc/40/24/26/564402426.db2.gz MBNCABRTJHZLIL-DOMZBBRYSA-N 1 2 397.260 2.531 20 30 GFEDLO COCC1(C#N)CCN(C(=O)Nc2cc(N(C)C)c(Br)c[nH+]2)CC1 ZINC000455860123 564575627 /nfs/dbraw/zinc/57/56/27/564575627.db2.gz DTUVBTVFMRQSPM-UHFFFAOYSA-N 1 2 396.289 2.694 20 30 GFEDLO C[C@H]1C[C@H](NS(=O)(=O)c2cccc(Br)c2C#N)c2[nH+]ccn21 ZINC000520730672 564611338 /nfs/dbraw/zinc/61/13/38/564611338.db2.gz GMRPYMMLYVLYJJ-CABZTGNLSA-N 1 2 381.255 2.502 20 30 GFEDLO CC[N@@H+](CC(=O)N(C)CCOc1ccc(Br)cc1)C[C@H](C)C#N ZINC000522942224 564659403 /nfs/dbraw/zinc/65/94/03/564659403.db2.gz DLZGMYYXTIGMDE-CQSZACIVSA-N 1 2 382.302 2.768 20 30 GFEDLO CC[N@H+](CC(=O)N(C)CCOc1ccc(Br)cc1)C[C@H](C)C#N ZINC000522942224 564659406 /nfs/dbraw/zinc/65/94/06/564659406.db2.gz DLZGMYYXTIGMDE-CQSZACIVSA-N 1 2 382.302 2.768 20 30 GFEDLO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(C#N)c(F)c1)c1ccccc1Cl ZINC000489024432 564727028 /nfs/dbraw/zinc/72/70/28/564727028.db2.gz SKONJZVBVFSGNW-QGZVFWFLSA-N 1 2 381.860 2.932 20 30 GFEDLO C=CCOc1ccc(Br)cc1NC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000459664889 564755756 /nfs/dbraw/zinc/75/57/56/564755756.db2.gz CCADTAGKYVCKPG-CYBMUJFWSA-N 1 2 398.301 2.856 20 30 GFEDLO CN(Cc1c[nH+]c2ccc(C#N)cn12)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000580575559 564764669 /nfs/dbraw/zinc/76/46/69/564764669.db2.gz ZAKJWPBQRXLSEL-QGZVFWFLSA-N 1 2 398.264 2.627 20 30 GFEDLO COC(=O)[C@H](NCc1c[nH+]c2ccc(C#N)cn12)c1ccc(Br)cc1 ZINC000560258192 564955082 /nfs/dbraw/zinc/95/50/82/564955082.db2.gz UFRYWUHYFGUBGI-QGZVFWFLSA-N 1 2 399.248 2.972 20 30 GFEDLO C[N@@H+]1CC[C@H](NS(=O)(=O)CC2(C#N)CCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000584746881 565094332 /nfs/dbraw/zinc/09/43/32/565094332.db2.gz OLZOLUXDNOILAM-HOTGVXAUSA-N 1 2 385.892 2.838 20 30 GFEDLO C[N@H+]1CC[C@H](NS(=O)(=O)CC2(C#N)CCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000584746881 565094335 /nfs/dbraw/zinc/09/43/35/565094335.db2.gz OLZOLUXDNOILAM-HOTGVXAUSA-N 1 2 385.892 2.838 20 30 GFEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccc(Br)c(F)c1F ZINC000599306728 565667916 /nfs/dbraw/zinc/66/79/16/565667916.db2.gz BYZUCLCALBJXFT-UHFFFAOYSA-N 1 2 388.256 2.775 20 30 GFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1scc(Br)c1Br ZINC000602332433 565839200 /nfs/dbraw/zinc/83/92/00/565839200.db2.gz KBYDLETUHSBEQB-LLVKDONJSA-N 1 2 395.120 2.847 20 30 GFEDLO Cc1cc(NC(=O)C[NH+]2C[C@H](C)N(CC#N)[C@@H](C)C2)ccc1Br ZINC000602866117 565871854 /nfs/dbraw/zinc/87/18/54/565871854.db2.gz UVGUZTDISBAWLD-KBPBESRZSA-N 1 2 379.302 2.614 20 30 GFEDLO C=CCOc1c(Br)cc(C[N@H+]2C[C@H](O)C[C@@H]2COC)cc1OC ZINC000651950775 565906637 /nfs/dbraw/zinc/90/66/37/565906637.db2.gz RJURYXYRNMGUIX-ZIAGYGMSSA-N 1 2 386.286 2.604 20 30 GFEDLO C=CCOc1c(Br)cc(C[N@@H+]2C[C@H](O)C[C@@H]2COC)cc1OC ZINC000651950775 565906641 /nfs/dbraw/zinc/90/66/41/565906641.db2.gz RJURYXYRNMGUIX-ZIAGYGMSSA-N 1 2 386.286 2.604 20 30 GFEDLO C=CCOc1c(Br)cc(C[NH2+]Cc2cn(C)nn2)cc1OCC ZINC000679933839 566056947 /nfs/dbraw/zinc/05/69/47/566056947.db2.gz SQJAGJBHPOGHEO-UHFFFAOYSA-N 1 2 381.274 2.831 20 30 GFEDLO C#C[C@H](NC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1)c1ccc(Br)cc1 ZINC000836317893 660899534 /nfs/dbraw/zinc/89/95/34/660899534.db2.gz JIAJKRDAWYYPNR-VBQJREDUSA-N 1 2 394.313 2.532 20 30 GFEDLO N#Cc1ccc(C[NH+]2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)s1 ZINC000129796526 654874002 /nfs/dbraw/zinc/87/40/02/654874002.db2.gz OGGNNHICFYFTMR-UHFFFAOYSA-N 1 2 379.482 2.702 20 30 GFEDLO Fc1nc(F)c(F)c(N2CC[NH+](CCCOCC(F)(F)F)CC2)c1F ZINC000268066639 654957758 /nfs/dbraw/zinc/95/77/58/654957758.db2.gz CHMFMBOVRJYNOY-UHFFFAOYSA-N 1 2 375.288 2.729 20 30 GFEDLO C=C(Br)CNC(=O)N(Cc1ccccc1)[C@@H](C)C[NH+]1CCOCC1 ZINC000170834679 655146631 /nfs/dbraw/zinc/14/66/31/655146631.db2.gz QNMOLZLUGOZVOQ-INIZCTEOSA-N 1 2 396.329 2.828 20 30 GFEDLO CC#CCC[N@H+](C)Cc1cccc(Br)c1OCCS(C)(=O)=O ZINC000785529307 657372391 /nfs/dbraw/zinc/37/23/91/657372391.db2.gz KMUPRJOJHOUDRI-UHFFFAOYSA-N 1 2 388.327 2.718 20 30 GFEDLO CC#CCC[N@@H+](C)Cc1cccc(Br)c1OCCS(C)(=O)=O ZINC000785529307 657372398 /nfs/dbraw/zinc/37/23/98/657372398.db2.gz KMUPRJOJHOUDRI-UHFFFAOYSA-N 1 2 388.327 2.718 20 30 GFEDLO COc1ccc(Br)c(CN[NH+]=Cc2cnc(N3CCCC3)nc2)c1 ZINC000788725719 657779965 /nfs/dbraw/zinc/77/99/65/657779965.db2.gz JVDVRMAWPPGQBS-UHFFFAOYSA-N 1 2 390.285 2.972 20 30 GFEDLO C#CCNC(=O)CC[N@@H+](CC(=O)OCC)[C@H](C)c1cccc(Br)c1 ZINC000815076850 660109975 /nfs/dbraw/zinc/10/99/75/660109975.db2.gz YYGHARIRCDBRJA-CQSZACIVSA-N 1 2 395.297 2.515 20 30 GFEDLO C#CCNC(=O)CC[N@H+](CC(=O)OCC)[C@H](C)c1cccc(Br)c1 ZINC000815076850 660109976 /nfs/dbraw/zinc/10/99/76/660109976.db2.gz YYGHARIRCDBRJA-CQSZACIVSA-N 1 2 395.297 2.515 20 30 GFEDLO C#CC1CC[NH+](CN2C(=O)N[C@@](C)(c3ccc(Br)s3)C2=O)CC1 ZINC000842633486 661346776 /nfs/dbraw/zinc/34/67/76/661346776.db2.gz JNXZPNXSPHMFQD-INIZCTEOSA-N 1 2 396.310 2.580 20 30 GFEDLO Cn1cc(C[N@@H+]2CCn3ncc(Br)c3C2)c(-c2ccc(C#N)cc2)n1 ZINC000852625582 661868827 /nfs/dbraw/zinc/86/88/27/661868827.db2.gz WZIYFUVOIGQTOT-UHFFFAOYSA-N 1 2 397.280 2.934 20 30 GFEDLO Cn1cc(C[N@H+]2CCn3ncc(Br)c3C2)c(-c2ccc(C#N)cc2)n1 ZINC000852625582 661868828 /nfs/dbraw/zinc/86/88/28/661868828.db2.gz WZIYFUVOIGQTOT-UHFFFAOYSA-N 1 2 397.280 2.934 20 30 GFEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC(c2ccccc2Br)CC1 ZINC000884325564 663069014 /nfs/dbraw/zinc/06/90/14/663069014.db2.gz UFUWWWUNTHKFDT-INIZCTEOSA-N 1 2 395.297 2.602 20 30 GFEDLO Cc1cc(Br)cn2cc(CCNC(=O)N3CCC[C@@H](C#N)C3)[nH+]c12 ZINC000921939043 664577434 /nfs/dbraw/zinc/57/74/34/664577434.db2.gz MZIAXOVLMWNFRY-ZDUSSCGKSA-N 1 2 390.285 2.893 20 30 GFEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)cc1 ZINC000931913827 664807204 /nfs/dbraw/zinc/80/72/04/664807204.db2.gz IGRRCJGMSAMZKC-CQSZACIVSA-N 1 2 376.375 2.698 20 30 GFEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)cc1 ZINC000931913827 664807205 /nfs/dbraw/zinc/80/72/05/664807205.db2.gz IGRRCJGMSAMZKC-CQSZACIVSA-N 1 2 376.375 2.698 20 30 GFEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932946242 664844251 /nfs/dbraw/zinc/84/42/51/664844251.db2.gz NTPSVIITGPOAAP-XHNCKOQMSA-N 1 2 380.279 2.780 20 30 GFEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932946242 664844253 /nfs/dbraw/zinc/84/42/53/664844253.db2.gz NTPSVIITGPOAAP-XHNCKOQMSA-N 1 2 380.279 2.780 20 30 GFEDLO N#Cc1cc(Cl)ncc1C(F)(F)N1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001164676492 719564025 /nfs/dbraw/zinc/56/40/25/719564025.db2.gz CMOCCRLISMIMCR-UHFFFAOYSA-N 1 2 390.781 2.947 20 30 GFEDLO N#Cc1nc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)ccc1Cl ZINC001164943650 721970008 /nfs/dbraw/zinc/97/00/08/721970008.db2.gz AVRSKDHIOINLRN-UHFFFAOYSA-N 1 2 395.894 2.578 20 30 GFEDLO N#Cc1nc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)ccc1Cl ZINC001164943650 721970010 /nfs/dbraw/zinc/97/00/10/721970010.db2.gz AVRSKDHIOINLRN-UHFFFAOYSA-N 1 2 395.894 2.578 20 30 GFEDLO C=CCNC(=O)CSc1nnc([C@@H](C)[NH+](C)C)n1-c1ccc(Cl)cc1 ZINC000016927334 551112397 /nfs/dbraw/zinc/11/23/97/551112397.db2.gz RYMKKSVMLRIQBF-GFCCVEGCSA-N 1 2 379.917 2.938 20 30 GFEDLO N#CCNC(=O)C[NH2+][C@@H](c1ccccc1)c1ccc(Br)cc1F ZINC000175120078 552116343 /nfs/dbraw/zinc/11/63/43/552116343.db2.gz QVOPAIUEYODXFV-KRWDZBQOSA-N 1 2 376.229 2.907 20 30 GFEDLO N#Cc1ccc(S(=O)(=O)NCC[N@@H+]2CCc3ccccc3C2)c(Cl)c1 ZINC000183469805 552310774 /nfs/dbraw/zinc/31/07/74/552310774.db2.gz WCBTVATXBJJPMX-UHFFFAOYSA-N 1 2 375.881 2.548 20 30 GFEDLO N#Cc1ccc(S(=O)(=O)NCC[N@H+]2CCc3ccccc3C2)c(Cl)c1 ZINC000183469805 552310776 /nfs/dbraw/zinc/31/07/76/552310776.db2.gz WCBTVATXBJJPMX-UHFFFAOYSA-N 1 2 375.881 2.548 20 30 GFEDLO FC(F)C(F)(F)CN1CC[NH+](CCOCC(F)(F)C(F)(F)F)CC1 ZINC000189316913 552468695 /nfs/dbraw/zinc/46/86/95/552468695.db2.gz CGIQDFCPNOZYDM-UHFFFAOYSA-N 1 2 376.263 2.719 20 30 GFEDLO C=CCNC(=O)C[N@H+]1CCC[C@@H]1c1nc(-c2ccccc2Br)no1 ZINC000190795405 552508942 /nfs/dbraw/zinc/50/89/42/552508942.db2.gz ZNDOTFFMNFFLSC-CQSZACIVSA-N 1 2 391.269 2.938 20 30 GFEDLO C=CCNC(=O)C[N@@H+]1CCC[C@@H]1c1nc(-c2ccccc2Br)no1 ZINC000190795405 552508944 /nfs/dbraw/zinc/50/89/44/552508944.db2.gz ZNDOTFFMNFFLSC-CQSZACIVSA-N 1 2 391.269 2.938 20 30 GFEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cc(C#N)ccc1Br ZINC000191807302 552538687 /nfs/dbraw/zinc/53/86/87/552538687.db2.gz KRZMSZNJJDPVBZ-CYBMUJFWSA-N 1 2 397.280 2.693 20 30 GFEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cc(C#N)ccc1Br ZINC000191807302 552538691 /nfs/dbraw/zinc/53/86/91/552538691.db2.gz KRZMSZNJJDPVBZ-CYBMUJFWSA-N 1 2 397.280 2.693 20 30 GFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCCC[C@@H](S(C)(=O)=O)C1 ZINC000277693545 563221382 /nfs/dbraw/zinc/22/13/82/563221382.db2.gz HGMDGUDEYWRYTC-DOTOQJQBSA-N 1 2 384.567 2.550 20 30 GFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCCC[C@@H](S(C)(=O)=O)C1 ZINC000277693545 563221384 /nfs/dbraw/zinc/22/13/84/563221384.db2.gz HGMDGUDEYWRYTC-DOTOQJQBSA-N 1 2 384.567 2.550 20 30 GFEDLO C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)[N@H+]1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000295781674 563262216 /nfs/dbraw/zinc/26/22/16/563262216.db2.gz UGUQOMRCGPSFSW-SCRDCRAPSA-N 1 2 375.416 2.778 20 30 GFEDLO C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000295781674 563262219 /nfs/dbraw/zinc/26/22/19/563262219.db2.gz UGUQOMRCGPSFSW-SCRDCRAPSA-N 1 2 375.416 2.778 20 30 GFEDLO Cc1nc(C[N@@H+](C)[C@H]2CCN(c3ccc(C#N)cc3Br)C2)no1 ZINC000371278208 563270996 /nfs/dbraw/zinc/27/09/96/563270996.db2.gz XKSMCTSWRPPRLO-ZDUSSCGKSA-N 1 2 376.258 2.723 20 30 GFEDLO Cc1nc(C[N@H+](C)[C@H]2CCN(c3ccc(C#N)cc3Br)C2)no1 ZINC000371278208 563270997 /nfs/dbraw/zinc/27/09/97/563270997.db2.gz XKSMCTSWRPPRLO-ZDUSSCGKSA-N 1 2 376.258 2.723 20 30 GFEDLO C#CCNC(=O)[C@@H](C)[NH2+][C@H](CC)c1noc(-c2cccc(Br)c2)n1 ZINC000371790525 563287429 /nfs/dbraw/zinc/28/74/29/563287429.db2.gz XVYAKFYHEYZDHF-BXUZGUMPSA-N 1 2 391.269 2.678 20 30 GFEDLO Cn1cc[nH+]c1[C@@H](NS(=O)(=O)c1ccc(C#N)s1)c1cccc(F)c1 ZINC000373822770 563352728 /nfs/dbraw/zinc/35/27/28/563352728.db2.gz LLOMMCXEVPLMTF-HNNXBMFYSA-N 1 2 376.438 2.560 20 30 GFEDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)c1cc(Br)c2c(c1)OCCO2 ZINC000330287702 563500312 /nfs/dbraw/zinc/50/03/12/563500312.db2.gz BIYZFTGBHBZJSX-LLVKDONJSA-N 1 2 378.226 2.736 20 30 GFEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000287350312 563598040 /nfs/dbraw/zinc/59/80/40/563598040.db2.gz XKLTYCDSYGMACC-WFASDCNBSA-N 1 2 393.285 2.648 20 30 GFEDLO C[N@@H+]1CC[C@@H](NS(=O)(=O)CC2(CC#N)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000333471134 563633415 /nfs/dbraw/zinc/63/34/15/563633415.db2.gz WGNGHLHOFAOPRU-HZPDHXFCSA-N 1 2 385.892 2.838 20 30 GFEDLO C[N@H+]1CC[C@@H](NS(=O)(=O)CC2(CC#N)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000333471134 563633418 /nfs/dbraw/zinc/63/34/18/563633418.db2.gz WGNGHLHOFAOPRU-HZPDHXFCSA-N 1 2 385.892 2.838 20 30 GFEDLO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(F)cc1C#N)c1ccccc1Cl ZINC000443098032 563791885 /nfs/dbraw/zinc/79/18/85/563791885.db2.gz NJGQWUXKGLYUGR-INIZCTEOSA-N 1 2 381.860 2.932 20 30 GFEDLO CCN(CCC#N)C(=O)C[N@H+](C)[C@@H]1CCOc2ccc(Br)cc21 ZINC000445896793 563855791 /nfs/dbraw/zinc/85/57/91/563855791.db2.gz KJWWIGYHIPXCHK-OAHLLOKOSA-N 1 2 380.286 2.967 20 30 GFEDLO CCN(CCC#N)C(=O)C[N@@H+](C)[C@@H]1CCOc2ccc(Br)cc21 ZINC000445896793 563855793 /nfs/dbraw/zinc/85/57/93/563855793.db2.gz KJWWIGYHIPXCHK-OAHLLOKOSA-N 1 2 380.286 2.967 20 30 GFEDLO N#Cc1cccc(S(=O)(=O)CC[NH+]2CCC(n3cc(Cl)cn3)CC2)c1 ZINC000367872159 563857986 /nfs/dbraw/zinc/85/79/86/563857986.db2.gz XLPWUWXQHXQSMO-UHFFFAOYSA-N 1 2 378.885 2.519 20 30 GFEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1C[C@@H](c2ccc(Cl)cc2)[C@H](CO)C1 ZINC000368066325 563863257 /nfs/dbraw/zinc/86/32/57/563863257.db2.gz XFUYHEFZERPMOQ-HOCLYGCPSA-N 1 2 375.881 2.920 20 30 GFEDLO N#Cc1ccsc1NC(=O)C[N@H+]1C[C@@H](c2ccc(Cl)cc2)[C@H](CO)C1 ZINC000368066325 563863259 /nfs/dbraw/zinc/86/32/59/563863259.db2.gz XFUYHEFZERPMOQ-HOCLYGCPSA-N 1 2 375.881 2.920 20 30 GFEDLO Cc1c(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cnn1-c1cccc(Br)c1 ZINC000565369188 564278253 /nfs/dbraw/zinc/27/82/53/564278253.db2.gz YRBHPHZSLOTENQ-KRWDZBQOSA-N 1 2 390.285 2.517 20 30 GFEDLO C[C@@H]1CCN(S(=O)(=O)c2ccc(CC#N)cc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000451307041 564298716 /nfs/dbraw/zinc/29/87/16/564298716.db2.gz BKNRIUNPGPAJCI-CJNGLKHVSA-N 1 2 378.885 2.874 20 30 GFEDLO Cc1c(C(=O)N[C@](C)(C#N)C[NH+](C)C)cnn1-c1ccc(Br)cc1 ZINC000567903089 564395631 /nfs/dbraw/zinc/39/56/31/564395631.db2.gz HYUPWCBWFPUZOS-QGZVFWFLSA-N 1 2 390.285 2.517 20 30 GFEDLO N#Cc1cccc(S(=O)(=O)CC[NH2+][C@@H](CO)c2c(Cl)cccc2Cl)c1 ZINC000483250863 564561723 /nfs/dbraw/zinc/56/17/23/564561723.db2.gz PQKGOMLFERSGJD-INIZCTEOSA-N 1 2 399.299 2.962 20 30 GFEDLO C=CCNC(=O)C[NH+]1CCN(c2ccc3c(Cl)ccc(Cl)c3n2)CC1 ZINC000484641316 564593623 /nfs/dbraw/zinc/59/36/23/564593623.db2.gz IRDZBMUXDKHBJF-UHFFFAOYSA-N 1 2 379.291 2.966 20 30 GFEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)COc1ccc(C#N)c(Br)c1 ZINC000456342866 564601459 /nfs/dbraw/zinc/60/14/59/564601459.db2.gz GAKPPOPWNJBPNA-LLVKDONJSA-N 1 2 377.242 2.793 20 30 GFEDLO C=CCCO[C@H](C)C(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000456983353 564642202 /nfs/dbraw/zinc/64/22/02/564642202.db2.gz PPJPOYIAJBRKCY-GFCCVEGCSA-N 1 2 384.274 2.600 20 30 GFEDLO C[NH+](C)Cc1ccc(S(=O)(=O)Nc2cc(C#N)c(Br)cn2)cc1 ZINC000556304820 564817665 /nfs/dbraw/zinc/81/76/65/564817665.db2.gz UBTNBOHVZRGJJN-UHFFFAOYSA-N 1 2 395.282 2.578 20 30 GFEDLO CC[N@@H+]1C[C@H](C)N(S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C[C@@H]1C ZINC000497985965 564884360 /nfs/dbraw/zinc/88/43/60/564884360.db2.gz WUADLRSHMYXEBV-RYUDHWBXSA-N 1 2 375.416 2.680 20 30 GFEDLO CC[N@H+]1C[C@H](C)N(S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C[C@@H]1C ZINC000497985965 564884361 /nfs/dbraw/zinc/88/43/61/564884361.db2.gz WUADLRSHMYXEBV-RYUDHWBXSA-N 1 2 375.416 2.680 20 30 GFEDLO CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000583350330 564887617 /nfs/dbraw/zinc/88/76/17/564887617.db2.gz VJYIXRKMTNOCNC-SNVBAGLBSA-N 1 2 393.241 2.699 20 30 GFEDLO C=CCOc1c(Br)cc(C[N@@H+]2CCC[C@H]3C(=O)NC[C@H]32)cc1OC ZINC000467522162 564966292 /nfs/dbraw/zinc/96/62/92/564966292.db2.gz URDLBUUFWLQFSN-UKRRQHHQSA-N 1 2 395.297 2.733 20 30 GFEDLO C=CCOc1c(Br)cc(C[N@H+]2CCC[C@H]3C(=O)NC[C@H]32)cc1OC ZINC000467522162 564966296 /nfs/dbraw/zinc/96/62/96/564966296.db2.gz URDLBUUFWLQFSN-UKRRQHHQSA-N 1 2 395.297 2.733 20 30 GFEDLO C[C@H](c1ccc(N2CCCS2(=O)=O)cc1)[N@H+](C)Cc1nc(C#N)cs1 ZINC000584416668 565080085 /nfs/dbraw/zinc/08/00/85/565080085.db2.gz PTCIQWDMUNOSFP-CYBMUJFWSA-N 1 2 376.507 2.748 20 30 GFEDLO C[C@H](c1ccc(N2CCCS2(=O)=O)cc1)[N@@H+](C)Cc1nc(C#N)cs1 ZINC000584416668 565080088 /nfs/dbraw/zinc/08/00/88/565080088.db2.gz PTCIQWDMUNOSFP-CYBMUJFWSA-N 1 2 376.507 2.748 20 30 GFEDLO N#Cc1c(Br)cccc1S(=O)(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000588114354 565126018 /nfs/dbraw/zinc/12/60/18/565126018.db2.gz GHXVBTLFPPBRDK-LBPRGKRZSA-N 1 2 395.282 2.543 20 30 GFEDLO N#CC[C@H]1CCC[N@@H+]([C@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)C1 ZINC000594661240 565404488 /nfs/dbraw/zinc/40/44/88/565404488.db2.gz XPMDOBMRAANJCC-DOMZBBRYSA-N 1 2 376.254 2.707 20 30 GFEDLO N#CC[C@H]1CCC[N@H+]([C@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)C1 ZINC000594661240 565404492 /nfs/dbraw/zinc/40/44/92/565404492.db2.gz XPMDOBMRAANJCC-DOMZBBRYSA-N 1 2 376.254 2.707 20 30 GFEDLO N#Cc1c(Cl)cccc1S(=O)(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000595394560 565473048 /nfs/dbraw/zinc/47/30/48/565473048.db2.gz HSXSQLLQLDTCOF-HNNXBMFYSA-N 1 2 375.881 2.764 20 30 GFEDLO N#Cc1c(Cl)cccc1S(=O)(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000595394560 565473049 /nfs/dbraw/zinc/47/30/49/565473049.db2.gz HSXSQLLQLDTCOF-HNNXBMFYSA-N 1 2 375.881 2.764 20 30 GFEDLO N#Cc1sccc1N1CC[NH+](C[C@H](O)COc2ccccc2Cl)CC1 ZINC000595632819 565486599 /nfs/dbraw/zinc/48/65/99/565486599.db2.gz IKGMJIXRFJPQEN-AWEZNQCLSA-N 1 2 377.897 2.835 20 30 GFEDLO CN(CCC#N)C(=O)CC[N@@H+]1CCOC[C@@H]1c1ccc(Br)cc1 ZINC000595751930 565489972 /nfs/dbraw/zinc/48/99/72/565489972.db2.gz ZDYGBGFYBOOERR-MRXNPFEDSA-N 1 2 380.286 2.585 20 30 GFEDLO CN(CCC#N)C(=O)CC[N@H+]1CCOC[C@@H]1c1ccc(Br)cc1 ZINC000595751930 565489979 /nfs/dbraw/zinc/48/99/79/565489979.db2.gz ZDYGBGFYBOOERR-MRXNPFEDSA-N 1 2 380.286 2.585 20 30 GFEDLO C=CCCSCCNC(=O)NC[C@H](c1cccs1)[NH+]1CCN(C)CC1 ZINC000596092043 565512824 /nfs/dbraw/zinc/51/28/24/565512824.db2.gz IEOAIRYUMPPKOX-MRXNPFEDSA-N 1 2 382.599 2.645 20 30 GFEDLO N#CCC1(C[NH+]2CCN(CC(=O)Nc3ccc(Br)cc3)CC2)CC1 ZINC000602782517 565867478 /nfs/dbraw/zinc/86/74/78/565867478.db2.gz CMFNJUIHVGSGFY-UHFFFAOYSA-N 1 2 391.313 2.699 20 30 GFEDLO C[C@H](C(=O)Nc1ccc(Br)cc1)[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602867299 565871451 /nfs/dbraw/zinc/87/14/51/565871451.db2.gz XWRYTGOIDSTJQL-MELADBBJSA-N 1 2 379.302 2.694 20 30 GFEDLO N#Cc1cccc(Cl)c1N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000822837699 599466514 /nfs/dbraw/zinc/46/65/14/599466514.db2.gz SJHJKYXWDLASMF-UHFFFAOYSA-N 1 2 379.855 2.714 20 30 GFEDLO CCc1[nH+]c(CN=Nc2oc(C(C)(C)C)nc2-c2nn[nH]n2)c2ccccn21 ZINC000825746155 607887922 /nfs/dbraw/zinc/88/79/22/607887922.db2.gz SIOIGRTZRXCVMZ-UHFFFAOYSA-N 1 2 379.428 2.808 20 30 GFEDLO C=CC[N@@H+](CC(=O)Nc1c(-c2nn[nH]n2)c(C)c(C)n1Cc1ccco1)C1CC1 ZINC000823903691 608266771 /nfs/dbraw/zinc/26/67/71/608266771.db2.gz HLNJNMMUBKJODC-UHFFFAOYSA-N 1 2 395.467 2.515 20 30 GFEDLO C=CC[N@H+](CC(=O)Nc1c(-c2nn[nH]n2)c(C)c(C)n1Cc1ccco1)C1CC1 ZINC000823903691 608266773 /nfs/dbraw/zinc/26/67/73/608266773.db2.gz HLNJNMMUBKJODC-UHFFFAOYSA-N 1 2 395.467 2.515 20 30 GFEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824045314 608465052 /nfs/dbraw/zinc/46/50/52/608465052.db2.gz LERDIZUTBBMCJB-HNNXBMFYSA-N 1 2 399.458 2.855 20 30 GFEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824045314 608465054 /nfs/dbraw/zinc/46/50/54/608465054.db2.gz LERDIZUTBBMCJB-HNNXBMFYSA-N 1 2 399.458 2.855 20 30 GFEDLO C#C[C@H](NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1)c1ccc(Br)cc1 ZINC000833230749 660806329 /nfs/dbraw/zinc/80/63/29/660806329.db2.gz JBOMIGXZZVQIIO-ZWKOTPCHSA-N 1 2 391.309 2.883 20 30 GFEDLO C#C[C@H](NC(=O)[C@H]1COCC[N@H+]1C1CCCC1)c1ccc(Br)cc1 ZINC000833230749 660806332 /nfs/dbraw/zinc/80/63/32/660806332.db2.gz JBOMIGXZZVQIIO-ZWKOTPCHSA-N 1 2 391.309 2.883 20 30 GFEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCCN(c3nccs3)CC2)cc1Cl ZINC000064402316 654868406 /nfs/dbraw/zinc/86/84/06/654868406.db2.gz QYWDCVHRCLZQDH-UHFFFAOYSA-N 1 2 375.885 2.819 20 30 GFEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCCN(c3nccs3)CC2)cc1Cl ZINC000064402316 654868411 /nfs/dbraw/zinc/86/84/11/654868411.db2.gz QYWDCVHRCLZQDH-UHFFFAOYSA-N 1 2 375.885 2.819 20 30 GFEDLO N#Cc1sc(N2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)nc1Cl ZINC000804332755 659634948 /nfs/dbraw/zinc/63/49/48/659634948.db2.gz RBFHWMZYJUHOHF-UHFFFAOYSA-N 1 2 376.869 2.762 20 30 GFEDLO O=S(=O)(NN=C1CCC[N@@H+]2CCCC[C@@H]12)c1ccc(Br)cc1 ZINC000848398866 661645833 /nfs/dbraw/zinc/64/58/33/661645833.db2.gz GGSQPXIWJJSCLV-HNNXBMFYSA-N 1 2 386.315 2.732 20 30 GFEDLO O=S(=O)(NN=C1CCC[N@H+]2CCCC[C@@H]12)c1ccc(Br)cc1 ZINC000848398866 661645836 /nfs/dbraw/zinc/64/58/36/661645836.db2.gz GGSQPXIWJJSCLV-HNNXBMFYSA-N 1 2 386.315 2.732 20 30 GFEDLO C#C[C@@H](CC)NC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000854077524 661913798 /nfs/dbraw/zinc/91/37/98/661913798.db2.gz VMEFQGYTGPZCMY-ZDUSSCGKSA-N 1 2 379.258 2.862 20 30 GFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCc3ncc(Cl)s3)CC2)cc1 ZINC000873178702 662803171 /nfs/dbraw/zinc/80/31/71/662803171.db2.gz YARHCYYPXPLVOU-UHFFFAOYSA-N 1 2 375.885 2.696 20 30 GFEDLO N#Cc1ccc(OC2CC[NH+](C[C@H](O)c3cc(Br)no3)CC2)cc1 ZINC000878051939 662888893 /nfs/dbraw/zinc/88/88/93/662888893.db2.gz SCEOEBYIQUNCDO-HNNXBMFYSA-N 1 2 392.253 2.886 20 30 GFEDLO O=C(Cn1cc[nH+]c1)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000885287413 663088649 /nfs/dbraw/zinc/08/86/49/663088649.db2.gz REDVEBRNCDYZOJ-YUMQZZPRSA-N 1 2 377.235 2.513 20 30 GFEDLO N#Cc1cc(CS(=O)(=O)N2CCC(CCCn3cc[nH+]c3)CC2)cs1 ZINC000914356247 664402773 /nfs/dbraw/zinc/40/27/73/664402773.db2.gz YTYLNBPOYYLHTK-UHFFFAOYSA-N 1 2 378.523 2.838 20 30 GFEDLO N#Cc1cc(Br)cc(S(=O)(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)c1 ZINC000121451158 551234625 /nfs/dbraw/zinc/23/46/25/551234625.db2.gz OTQQJSDFBNDWNK-CQSZACIVSA-N 1 2 395.282 2.960 20 30 GFEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC(O)(C(F)(F)F)CC1 ZINC000128096465 551346551 /nfs/dbraw/zinc/34/65/51/551346551.db2.gz LNEOCNFEMKYZFT-JTQLQIEISA-N 1 2 375.778 2.928 20 30 GFEDLO Cn1cc(Br)cc1C[N@H+](C)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000151510357 551414895 /nfs/dbraw/zinc/41/48/95/551414895.db2.gz CUUKCJDECHJBQL-QGZVFWFLSA-N 1 2 387.281 2.897 20 30 GFEDLO Cn1cc(Br)cc1C[N@@H+](C)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000151510357 551414897 /nfs/dbraw/zinc/41/48/97/551414897.db2.gz CUUKCJDECHJBQL-QGZVFWFLSA-N 1 2 387.281 2.897 20 30 GFEDLO COc1sc(CN(CCC#N)CC[NH+]2CCOCC2)cc1Br ZINC000156419504 551522641 /nfs/dbraw/zinc/52/26/41/551522641.db2.gz JOOZGTNWIXFJKO-UHFFFAOYSA-N 1 2 388.331 2.567 20 30 GFEDLO CCOC(=O)[C@@H]1CSCC[N@@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000164653201 551626672 /nfs/dbraw/zinc/62/66/72/551626672.db2.gz JOWKUMPMDROURI-HNNXBMFYSA-N 1 2 381.885 2.521 20 30 GFEDLO CCOC(=O)[C@@H]1CSCC[N@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000164653201 551626675 /nfs/dbraw/zinc/62/66/75/551626675.db2.gz JOWKUMPMDROURI-HNNXBMFYSA-N 1 2 381.885 2.521 20 30 GFEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN([C@@H](C)c2ccc(Br)cc2)CC1 ZINC000173855304 552094727 /nfs/dbraw/zinc/09/47/27/552094727.db2.gz XRESIMZRMOMVMV-GJZGRUSLSA-N 1 2 380.330 2.818 20 30 GFEDLO COc1cc(Br)ccc1CN(CCC#N)CC[NH+]1CCOCC1 ZINC000182024802 552273266 /nfs/dbraw/zinc/27/32/66/552273266.db2.gz RPXDDPPJDNPRMS-UHFFFAOYSA-N 1 2 382.302 2.506 20 30 GFEDLO C=CC[N@@H+](Cc1ccc(OCC(F)(F)F)c(F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000183294281 552304945 /nfs/dbraw/zinc/30/49/45/552304945.db2.gz MHXLCZWTWQOMJH-ZDUSSCGKSA-N 1 2 381.391 2.942 20 30 GFEDLO C=CC[N@H+](Cc1ccc(OCC(F)(F)F)c(F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000183294281 552304946 /nfs/dbraw/zinc/30/49/46/552304946.db2.gz MHXLCZWTWQOMJH-ZDUSSCGKSA-N 1 2 381.391 2.942 20 30 GFEDLO C[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000249745828 553146056 /nfs/dbraw/zinc/14/60/56/553146056.db2.gz ZNXHNZQFVBAWFY-RYQLBKOJSA-N 1 2 382.291 2.692 20 30 GFEDLO C[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000249745828 553146057 /nfs/dbraw/zinc/14/60/57/553146057.db2.gz ZNXHNZQFVBAWFY-RYQLBKOJSA-N 1 2 382.291 2.692 20 30 GFEDLO Cc1cc(Br)cn2cc(CNC(=O)N3CCOC[C@@H]3C3CC3)[nH+]c12 ZINC000329515565 563482419 /nfs/dbraw/zinc/48/24/19/563482419.db2.gz MITYNKPLUFDHMR-OAHLLOKOSA-N 1 2 393.285 2.930 20 30 GFEDLO CC[C@H](NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C)c1nc(C(F)(F)F)cs1 ZINC000329919628 563491531 /nfs/dbraw/zinc/49/15/31/563491531.db2.gz GKJXZWXAENRHHM-AXFHLTTASA-N 1 2 378.420 2.542 20 30 GFEDLO CC[C@H](NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C)c1nc(C(F)(F)F)cs1 ZINC000329919628 563491534 /nfs/dbraw/zinc/49/15/34/563491534.db2.gz GKJXZWXAENRHHM-AXFHLTTASA-N 1 2 378.420 2.542 20 30 GFEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@](O)(C(F)(F)F)CC2)cc1Cl ZINC000285692880 563532195 /nfs/dbraw/zinc/53/21/95/563532195.db2.gz VMOOVAYQIVJXOA-OAHLLOKOSA-N 1 2 375.778 2.929 20 30 GFEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@](O)(C(F)(F)F)CC2)cc1Cl ZINC000285692880 563532200 /nfs/dbraw/zinc/53/22/00/563532200.db2.gz VMOOVAYQIVJXOA-OAHLLOKOSA-N 1 2 375.778 2.929 20 30 GFEDLO N#Cc1ccc([C@@H]([NH2+][C@@H]2COc3cc(F)c(Br)cc32)C(N)=O)cc1 ZINC000409833679 563572358 /nfs/dbraw/zinc/57/23/58/563572358.db2.gz BMKDOJDGSMRLGH-GDBMZVCRSA-N 1 2 390.212 2.710 20 30 GFEDLO COC(=O)C1=NOC2(C1)CC[NH+](Cc1ccc(Br)cc1C#N)CC2 ZINC000287899804 563621865 /nfs/dbraw/zinc/62/18/65/563621865.db2.gz URDUTTHKZXSFMS-UHFFFAOYSA-N 1 2 392.253 2.605 20 30 GFEDLO C[N@H+](CCC#N)C[C@@H](O)CSc1nnc(-c2ccccc2Br)o1 ZINC000414104299 563719704 /nfs/dbraw/zinc/71/97/04/563719704.db2.gz YPYWKMOLMDCDED-LLVKDONJSA-N 1 2 397.298 2.798 20 30 GFEDLO C[N@@H+](CCC#N)C[C@@H](O)CSc1nnc(-c2ccccc2Br)o1 ZINC000414104299 563719707 /nfs/dbraw/zinc/71/97/07/563719707.db2.gz YPYWKMOLMDCDED-LLVKDONJSA-N 1 2 397.298 2.798 20 30 GFEDLO COc1cc(C[N@H+](C)[C@@H](C(N)=O)c2cccc(Br)c2)ccc1C#N ZINC000442844096 563781123 /nfs/dbraw/zinc/78/11/23/563781123.db2.gz UZLHDJFZLLKSHM-QGZVFWFLSA-N 1 2 388.265 2.988 20 30 GFEDLO COc1cc(C[N@@H+](C)[C@@H](C(N)=O)c2cccc(Br)c2)ccc1C#N ZINC000442844096 563781125 /nfs/dbraw/zinc/78/11/25/563781125.db2.gz UZLHDJFZLLKSHM-QGZVFWFLSA-N 1 2 388.265 2.988 20 30 GFEDLO N#Cc1ccc(OCC(=O)NCc2cn3c([nH+]2)CCCC3)cc1Br ZINC000449823721 564203793 /nfs/dbraw/zinc/20/37/93/564203793.db2.gz AFFICGATDVEMMX-UHFFFAOYSA-N 1 2 389.253 2.549 20 30 GFEDLO C=CCNC(=O)CN1CC[NH+]([C@@H](CC)c2ccc(Br)cc2)CC1 ZINC000507804212 564243759 /nfs/dbraw/zinc/24/37/59/564243759.db2.gz NEVBCUALGVBOQZ-KRWDZBQOSA-N 1 2 380.330 2.820 20 30 GFEDLO C=CCNC(=O)C[NH+]1CCN([C@@H](CC)c2ccc(Br)cc2)CC1 ZINC000507804212 564243761 /nfs/dbraw/zinc/24/37/61/564243761.db2.gz NEVBCUALGVBOQZ-KRWDZBQOSA-N 1 2 380.330 2.820 20 30 GFEDLO C=CC[N@@H+](CCOC)[C@H](C)C(=O)Nc1cccc(I)c1 ZINC000484683201 564594656 /nfs/dbraw/zinc/59/46/56/564594656.db2.gz VRGZGEXTPXMQPR-GFCCVEGCSA-N 1 2 388.249 2.753 20 30 GFEDLO C=CC[N@H+](CCOC)[C@H](C)C(=O)Nc1cccc(I)c1 ZINC000484683201 564594659 /nfs/dbraw/zinc/59/46/59/564594659.db2.gz VRGZGEXTPXMQPR-GFCCVEGCSA-N 1 2 388.249 2.753 20 30 GFEDLO C=CCSc1ccccc1C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000485468420 564616119 /nfs/dbraw/zinc/61/61/19/564616119.db2.gz RTUVBUWESVRXCI-LJQANCHMSA-N 1 2 378.563 2.902 20 30 GFEDLO C=CCC[C@H](CO)NC(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000458654990 564710791 /nfs/dbraw/zinc/71/07/91/564710791.db2.gz LAHKWISGOCUHTP-CYBMUJFWSA-N 1 2 381.274 2.532 20 30 GFEDLO CN(C)C(=O)CC[NH+]1CCN(c2c(Br)cc(Cl)cc2C#N)CC1 ZINC000553482363 564722207 /nfs/dbraw/zinc/72/22/07/564722207.db2.gz BADLSKUUFVSSPT-UHFFFAOYSA-N 1 2 399.720 2.574 20 30 GFEDLO C[NH+]1CCC(C#N)(NC(=O)CCCC(=O)c2ccc(Br)cc2)CC1 ZINC000554501260 564761964 /nfs/dbraw/zinc/76/19/64/564761964.db2.gz DPINHBAVMRLAPB-UHFFFAOYSA-N 1 2 392.297 2.906 20 30 GFEDLO Cc1cc(Br)cn2cc(CCNC(=O)N[C@@H]3CCC[C@H]3C#N)[nH+]c12 ZINC000461940552 564809314 /nfs/dbraw/zinc/80/93/14/564809314.db2.gz KPRBNTQQADIYHM-SWLSCSKDSA-N 1 2 390.285 2.939 20 30 GFEDLO C=CC[NH+]1CCC(NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000462290088 564831985 /nfs/dbraw/zinc/83/19/85/564831985.db2.gz NYPYGPIEQBGPPT-UHFFFAOYSA-N 1 2 394.280 2.830 20 30 GFEDLO CCOC(=O)C[C@H]1C[C@@H](OC)C[N@@H+]1Cc1ccc(Br)cc1C#N ZINC000558126174 564892683 /nfs/dbraw/zinc/89/26/83/564892683.db2.gz PAIHGEAPJSBWGI-HZPDHXFCSA-N 1 2 381.270 2.863 20 30 GFEDLO CCOC(=O)C[C@H]1C[C@@H](OC)C[N@H+]1Cc1ccc(Br)cc1C#N ZINC000558126174 564892686 /nfs/dbraw/zinc/89/26/86/564892686.db2.gz PAIHGEAPJSBWGI-HZPDHXFCSA-N 1 2 381.270 2.863 20 30 GFEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCSC[C@@H]1CCO ZINC000470218253 565041519 /nfs/dbraw/zinc/04/15/19/565041519.db2.gz CYGRQMWVTUBBCS-CABCVRRESA-N 1 2 379.551 2.677 20 30 GFEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCSC[C@@H]1CCO ZINC000470218253 565041522 /nfs/dbraw/zinc/04/15/22/565041522.db2.gz CYGRQMWVTUBBCS-CABCVRRESA-N 1 2 379.551 2.677 20 30 GFEDLO N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCSC[C@@H]2c2nccs2)cc1 ZINC000613751197 565079437 /nfs/dbraw/zinc/07/94/37/565079437.db2.gz JHOGKHGJHVGMKQ-NVXWUHKLSA-N 1 2 375.519 2.739 20 30 GFEDLO N#CCc1ccc(OC[C@H](O)C[N@H+]2CCSC[C@@H]2c2nccs2)cc1 ZINC000613751197 565079442 /nfs/dbraw/zinc/07/94/42/565079442.db2.gz JHOGKHGJHVGMKQ-NVXWUHKLSA-N 1 2 375.519 2.739 20 30 GFEDLO Cc1cc(Br)cn2cc(CCNC(=O)N3CC[C@](F)(C#N)C3)[nH+]c12 ZINC000615548526 565165213 /nfs/dbraw/zinc/16/52/13/565165213.db2.gz BTDWAVMQMLRIMZ-INIZCTEOSA-N 1 2 394.248 2.595 20 30 GFEDLO NS(=O)(=O)c1ccc(C[N@@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)c(F)c1 ZINC000638097501 565184542 /nfs/dbraw/zinc/18/45/42/565184542.db2.gz FIHVBNJQEMIKSJ-UHFFFAOYSA-N 1 2 394.312 2.790 20 30 GFEDLO NS(=O)(=O)c1ccc(C[N@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)c(F)c1 ZINC000638097501 565184544 /nfs/dbraw/zinc/18/45/44/565184544.db2.gz FIHVBNJQEMIKSJ-UHFFFAOYSA-N 1 2 394.312 2.790 20 30 GFEDLO CC#CC[NH2+]Cc1cn(Cc2nnc(-c3ccc(Cl)cc3Cl)o2)nn1 ZINC000640993830 565340847 /nfs/dbraw/zinc/34/08/47/565340847.db2.gz IQZZPMNAEXTDQA-UHFFFAOYSA-N 1 2 377.235 2.796 20 30 GFEDLO C[C@H](c1ccsc1)[NH+]1CCN(S(=O)(=O)c2cccc(CC#N)c2)CC1 ZINC000619496990 565344598 /nfs/dbraw/zinc/34/45/98/565344598.db2.gz OUXXUBKHQRAJNR-OAHLLOKOSA-N 1 2 375.519 2.882 20 30 GFEDLO N#Cc1ccc(S(=O)(=O)NC[C@H]2CC[N@@H+]2Cc2ccccc2)c(Cl)c1 ZINC000595394651 565473093 /nfs/dbraw/zinc/47/30/93/565473093.db2.gz YJJJHSGVYKYVES-MRXNPFEDSA-N 1 2 375.881 2.764 20 30 GFEDLO N#Cc1ccc(S(=O)(=O)NC[C@H]2CC[N@H+]2Cc2ccccc2)c(Cl)c1 ZINC000595394651 565473097 /nfs/dbraw/zinc/47/30/97/565473097.db2.gz YJJJHSGVYKYVES-MRXNPFEDSA-N 1 2 375.881 2.764 20 30 GFEDLO C[C@@H]1C[NH+]([C@@H]2CCc3cc(Br)ccc3NC2=O)C[C@@H](C)N1CC#N ZINC000602847445 565870428 /nfs/dbraw/zinc/87/04/28/565870428.db2.gz BSMLXIULRDEMTM-PBFPGSCMSA-N 1 2 391.313 2.621 20 30 GFEDLO C[C@@H]1C[NH+](CC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)C[C@@H](C)N1CC#N ZINC000602857501 565871971 /nfs/dbraw/zinc/87/19/71/565871971.db2.gz RVTKZLPUVSGPOW-ZIAGYGMSSA-N 1 2 383.323 2.870 20 30 GFEDLO Cc1cc(N2CC[NH+]([C@H](C(=O)[O-])c3cccc(C#N)c3)CC2)nc(C(C)C)[nH+]1 ZINC000832891014 601310520 /nfs/dbraw/zinc/31/05/20/601310520.db2.gz ICCONNPJJQLEJY-IBGZPJMESA-N 1 2 379.464 2.728 20 30 GFEDLO N#Cc1cccc(-c2nnc(C[NH2+]C3(c4cccc(-c5nn[nH]n5)c4)CC3)o2)c1 ZINC000826386458 608529862 /nfs/dbraw/zinc/52/98/62/608529862.db2.gz GESAVYNREFSHGO-UHFFFAOYSA-N 1 2 384.403 2.567 20 30 GFEDLO CC[C@@H]1CN(Cc2ccc(C#N)o2)[C@@H](CC)C[N@@H+]1Cc1ccc(-c2nn[nH]n2)o1 ZINC000825212941 608856538 /nfs/dbraw/zinc/85/65/38/608856538.db2.gz VADHXQKPTCPUJS-LSDHHAIUSA-N 1 2 395.467 2.799 20 30 GFEDLO CC[C@@H]1CN(Cc2ccc(C#N)o2)[C@@H](CC)C[N@H+]1Cc1ccc(-c2nn[nH]n2)o1 ZINC000825212941 608856540 /nfs/dbraw/zinc/85/65/40/608856540.db2.gz VADHXQKPTCPUJS-LSDHHAIUSA-N 1 2 395.467 2.799 20 30 GFEDLO C#C[C@@H](NC(=O)NCC(C)(C)[NH+]1CCOCC1)c1ccc(Br)cc1 ZINC000836188068 660894772 /nfs/dbraw/zinc/89/47/72/660894772.db2.gz LSEQIMGARXESDG-MRXNPFEDSA-N 1 2 394.313 2.533 20 30 GFEDLO N#Cc1ccc(OCC(=O)N2CC[NH+](Cc3cccs3)CC2)c(Cl)c1 ZINC000030993819 654591283 /nfs/dbraw/zinc/59/12/83/654591283.db2.gz OXDGNCYTJMMSND-UHFFFAOYSA-N 1 2 375.881 2.996 20 30 GFEDLO C[C@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC[S@]1=O ZINC000277260576 655310202 /nfs/dbraw/zinc/31/02/02/655310202.db2.gz QVXGYIBBYDECRV-ZJWNCGCPSA-N 1 2 379.551 2.670 20 30 GFEDLO C[C@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC[S@]1=O ZINC000277260576 655310204 /nfs/dbraw/zinc/31/02/04/655310204.db2.gz QVXGYIBBYDECRV-ZJWNCGCPSA-N 1 2 379.551 2.670 20 30 GFEDLO COc1cccc(S(C)(=O)=O)c1N=NCc1cc(-n2cc[nH+]c2)cs1 ZINC000767393394 656201416 /nfs/dbraw/zinc/20/14/16/656201416.db2.gz JQEULTMUCKOKAN-UHFFFAOYSA-N 1 2 376.463 2.792 20 30 GFEDLO C#CC[N@H+](CC#CC)Cc1cc(I)c(OC)c(OC)c1 ZINC000769451200 656277082 /nfs/dbraw/zinc/27/70/82/656277082.db2.gz JGZDVNIJKTUJBC-UHFFFAOYSA-N 1 2 383.229 2.767 20 30 GFEDLO C#CC[N@@H+](CC#CC)Cc1cc(I)c(OC)c(OC)c1 ZINC000769451200 656277087 /nfs/dbraw/zinc/27/70/87/656277087.db2.gz JGZDVNIJKTUJBC-UHFFFAOYSA-N 1 2 383.229 2.767 20 30 GFEDLO C[C@@H](OC(=O)C[N@H+](C)[C@H]1CCSC1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000772046211 656371200 /nfs/dbraw/zinc/37/12/00/656371200.db2.gz GVXIZDODIXRMNX-RISCZKNCSA-N 1 2 381.885 2.519 20 30 GFEDLO C[C@@H](OC(=O)C[N@@H+](C)[C@H]1CCSC1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000772046211 656371201 /nfs/dbraw/zinc/37/12/01/656371201.db2.gz GVXIZDODIXRMNX-RISCZKNCSA-N 1 2 381.885 2.519 20 30 GFEDLO C#CCC[NH+]1CCN(C(=O)CCCC(=O)c2ccc(Br)cc2)CC1 ZINC000772152588 656374095 /nfs/dbraw/zinc/37/40/95/656374095.db2.gz CCUSJCWJZSVGKP-UHFFFAOYSA-N 1 2 391.309 2.970 20 30 GFEDLO Cc1ccc(CNC(=O)CO[NH+]=C(N)c2ccc(Br)cc2)cc1F ZINC000782949434 657195812 /nfs/dbraw/zinc/19/58/12/657195812.db2.gz HRJYMIIHIVCQBZ-UHFFFAOYSA-N 1 2 394.244 2.850 20 30 GFEDLO C=CCCOCC(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000787531253 657563730 /nfs/dbraw/zinc/56/37/30/657563730.db2.gz ATPSPALWYNXHPN-UHFFFAOYSA-N 1 2 382.302 2.732 20 30 GFEDLO C#CC[NH+]1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CC)CC1 ZINC000801929644 659434831 /nfs/dbraw/zinc/43/48/31/659434831.db2.gz RRDAASTTYJGJGU-UHFFFAOYSA-N 1 2 375.929 2.999 20 30 GFEDLO C#Cc1ccc(C(=O)N(CCn2cc[nH+]c2)Cc2ccc(Br)o2)nc1 ZINC000804269761 659630715 /nfs/dbraw/zinc/63/07/15/659630715.db2.gz CJORODDBULXVPX-UHFFFAOYSA-N 1 2 399.248 2.958 20 30 GFEDLO OCc1ccc(Br)c(N[NH+]=Cc2cnc(N3CCCC3)nc2)c1 ZINC000841653655 661307188 /nfs/dbraw/zinc/30/71/88/661307188.db2.gz PWPDUXUOOUWAHW-UHFFFAOYSA-N 1 2 376.258 2.778 20 30 GFEDLO C#CCC[N@@H+](CCOC)CC(=O)Nc1c(F)cc(F)cc1Br ZINC000852752046 661873373 /nfs/dbraw/zinc/87/33/73/661873373.db2.gz NAQADGFXNWVAHR-UHFFFAOYSA-N 1 2 375.213 2.638 20 30 GFEDLO C#CCC[N@H+](CCOC)CC(=O)Nc1c(F)cc(F)cc1Br ZINC000852752046 661873374 /nfs/dbraw/zinc/87/33/74/661873374.db2.gz NAQADGFXNWVAHR-UHFFFAOYSA-N 1 2 375.213 2.638 20 30 GFEDLO N#CC[C@@H]1CCC[N@@H+](Cn2c(=O)oc3cc(I)ccc32)C1 ZINC000853525354 661890813 /nfs/dbraw/zinc/89/08/13/661890813.db2.gz VOCSGHZFLAZIHS-NSHDSACASA-N 1 2 397.216 2.782 20 30 GFEDLO N#CC[C@@H]1CCC[N@H+](Cn2c(=O)oc3cc(I)ccc32)C1 ZINC000853525354 661890815 /nfs/dbraw/zinc/89/08/15/661890815.db2.gz VOCSGHZFLAZIHS-NSHDSACASA-N 1 2 397.216 2.782 20 30 GFEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@@H]1c1ccccc1Br ZINC000884165215 663066291 /nfs/dbraw/zinc/06/62/91/663066291.db2.gz BVDZLFOCANHDFP-LSDHHAIUSA-N 1 2 381.270 2.559 20 30 GFEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@@H]1c1ccc(Br)c(C)c1 ZINC000884325839 663069020 /nfs/dbraw/zinc/06/90/20/663069020.db2.gz BZQRKIPYFRMCBG-JKSUJKDBSA-N 1 2 395.297 2.868 20 30 GFEDLO C[N@@H+]1CCC[C@@H]1c1cc(C(=O)N[C@H](C#N)c2ccccc2Br)[nH]n1 ZINC000900699572 663719908 /nfs/dbraw/zinc/71/99/08/663719908.db2.gz MDTRHGPLPIEAOL-HZPDHXFCSA-N 1 2 388.269 2.934 20 30 GFEDLO C[N@H+]1CCC[C@@H]1c1cc(C(=O)N[C@H](C#N)c2ccccc2Br)[nH]n1 ZINC000900699572 663719911 /nfs/dbraw/zinc/71/99/11/663719911.db2.gz MDTRHGPLPIEAOL-HZPDHXFCSA-N 1 2 388.269 2.934 20 30 GFEDLO Cc1cnc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)c(C#N)n1 ZINC001164673934 719519143 /nfs/dbraw/zinc/51/91/43/719519143.db2.gz UHKIQPBCTKTKCA-UHFFFAOYSA-N 1 2 381.455 2.667 20 30 GFEDLO Cc1cnc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)c(C#N)n1 ZINC001164673934 719519148 /nfs/dbraw/zinc/51/91/48/719519148.db2.gz UHKIQPBCTKTKCA-UHFFFAOYSA-N 1 2 381.455 2.667 20 30 GFEDLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1nccc3ccc(C#N)cc31)C2 ZINC001165009730 721701502 /nfs/dbraw/zinc/70/15/02/721701502.db2.gz CGIRYQRFJUEPBR-UHFFFAOYSA-N 1 2 375.480 2.948 20 30 GFEDLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1nccc3ccc(C#N)cc31)C2 ZINC001165009730 721701504 /nfs/dbraw/zinc/70/15/04/721701504.db2.gz CGIRYQRFJUEPBR-UHFFFAOYSA-N 1 2 375.480 2.948 20 30 GFEDLO C=C(C)C[N@@H+]1CCCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000121571679 551237276 /nfs/dbraw/zinc/23/72/76/551237276.db2.gz WPQLHJUAMITVKQ-UHFFFAOYSA-N 1 2 379.345 2.783 20 30 GFEDLO C=C(C)C[N@H+]1CCCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000121571679 551237278 /nfs/dbraw/zinc/23/72/78/551237278.db2.gz WPQLHJUAMITVKQ-UHFFFAOYSA-N 1 2 379.345 2.783 20 30 GFEDLO C[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccccc2C#N)[C@@H]1c1ccc(Cl)cc1 ZINC000121744924 551241224 /nfs/dbraw/zinc/24/12/24/551241224.db2.gz QXHVNCZHGQHSDL-AEFFLSMTSA-N 1 2 375.881 2.935 20 30 GFEDLO C[N@H+]1CC[C@@H](NS(=O)(=O)c2ccccc2C#N)[C@@H]1c1ccc(Cl)cc1 ZINC000121744924 551241227 /nfs/dbraw/zinc/24/12/27/551241227.db2.gz QXHVNCZHGQHSDL-AEFFLSMTSA-N 1 2 375.881 2.935 20 30 GFEDLO C=CCNC(=O)NC(=O)C[NH+]1CCC(c2ccccc2Br)CC1 ZINC000189811885 552480291 /nfs/dbraw/zinc/48/02/91/552480291.db2.gz XDWYZWZTRCQWLP-UHFFFAOYSA-N 1 2 380.286 2.640 20 30 GFEDLO Cc1ccc2c(ncc(C#N)c2NC[C@@H]2CN(C)CC[N@@H+]2C)c1Br ZINC000280825647 563355806 /nfs/dbraw/zinc/35/58/06/563355806.db2.gz YOWDZXZINBMHIO-CQSZACIVSA-N 1 2 388.313 2.835 20 30 GFEDLO Cc1ccc2c(ncc(C#N)c2NC[C@@H]2CN(C)CC[N@H+]2C)c1Br ZINC000280825647 563355807 /nfs/dbraw/zinc/35/58/07/563355807.db2.gz YOWDZXZINBMHIO-CQSZACIVSA-N 1 2 388.313 2.835 20 30 GFEDLO Cc1cc(NCc2ccc(Br)cc2N2CCOCC2)c(C#N)c[nH+]1 ZINC000425233233 563413585 /nfs/dbraw/zinc/41/35/85/563413585.db2.gz GFWCZXMTZNKZJN-UHFFFAOYSA-N 1 2 387.281 2.895 20 30 GFEDLO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)C[C@H]1C ZINC000330374362 563502615 /nfs/dbraw/zinc/50/26/15/563502615.db2.gz MRMXGWVZAWCRLN-VXGBXAGGSA-N 1 2 375.416 2.680 20 30 GFEDLO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)C[C@H]1C ZINC000330374362 563502617 /nfs/dbraw/zinc/50/26/17/563502617.db2.gz MRMXGWVZAWCRLN-VXGBXAGGSA-N 1 2 375.416 2.680 20 30 GFEDLO C[N@H+](CCC#N)C[C@@H](O)CSc1nnc(-c2ccc(Br)cc2)o1 ZINC000414093731 563718674 /nfs/dbraw/zinc/71/86/74/563718674.db2.gz HLWBMRXNTBUHAL-CYBMUJFWSA-N 1 2 397.298 2.798 20 30 GFEDLO C[N@@H+](CCC#N)C[C@@H](O)CSc1nnc(-c2ccc(Br)cc2)o1 ZINC000414093731 563718675 /nfs/dbraw/zinc/71/86/75/563718675.db2.gz HLWBMRXNTBUHAL-CYBMUJFWSA-N 1 2 397.298 2.798 20 30 GFEDLO N#Cc1ccc(S(=O)(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)s1 ZINC000367131051 563832636 /nfs/dbraw/zinc/83/26/36/563832636.db2.gz MXBSNJLRGQSALG-CYBMUJFWSA-N 1 2 376.507 2.721 20 30 GFEDLO N#Cc1ccc(OCC(=O)NC[C@H]2CCCn3cc[nH+]c32)cc1Br ZINC000450185381 564220775 /nfs/dbraw/zinc/22/07/75/564220775.db2.gz RXADVFMPOIVVBA-CYBMUJFWSA-N 1 2 389.253 2.590 20 30 GFEDLO C=CCNC(=O)C[NH+]1CCN(c2ccc3ccc(Cl)c(Cl)c3n2)CC1 ZINC000540507093 564249475 /nfs/dbraw/zinc/24/94/75/564249475.db2.gz QOOPQTUNYIJNER-UHFFFAOYSA-N 1 2 379.291 2.966 20 30 GFEDLO C[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)[C@@H](CO)c1ccc(Cl)cc1 ZINC000451334217 564301974 /nfs/dbraw/zinc/30/19/74/564301974.db2.gz SGNCAOBJUQWRGT-SFHVURJKSA-N 1 2 378.881 2.651 20 30 GFEDLO C[N@@H+](CCS(=O)(=O)c1cccc(C#N)c1)[C@@H](CO)c1ccc(Cl)cc1 ZINC000451334217 564301978 /nfs/dbraw/zinc/30/19/78/564301978.db2.gz SGNCAOBJUQWRGT-SFHVURJKSA-N 1 2 378.881 2.651 20 30 GFEDLO Cn1cc[nH+]c1[C@H](NC(=O)COc1ccc(C#N)c(Br)c1)C1CC1 ZINC000451681184 564339015 /nfs/dbraw/zinc/33/90/15/564339015.db2.gz VWQKZNMWXDAMQU-MRXNPFEDSA-N 1 2 389.253 2.701 20 30 GFEDLO C=CCN(CCOC)C(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000479750677 564449517 /nfs/dbraw/zinc/44/95/17/564449517.db2.gz HVVRTILCBZWCEG-UHFFFAOYSA-N 1 2 381.274 2.749 20 30 GFEDLO Cc1nccc(C[NH+]2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)n1 ZINC000482817373 564550895 /nfs/dbraw/zinc/55/08/95/564550895.db2.gz FMAVJAGQBRPEIJ-SFHVURJKSA-N 1 2 386.297 2.930 20 30 GFEDLO C=C[C@](C)(CCOC)C(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000456992736 564642086 /nfs/dbraw/zinc/64/20/86/564642086.db2.gz XEOPXUIWABOFTA-QGZVFWFLSA-N 1 2 398.301 2.848 20 30 GFEDLO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000577312115 564733905 /nfs/dbraw/zinc/73/39/05/564733905.db2.gz VGNYKZCJCQXFHJ-UKRRQHHQSA-N 1 2 394.313 2.684 20 30 GFEDLO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000577312115 564733908 /nfs/dbraw/zinc/73/39/08/564733908.db2.gz VGNYKZCJCQXFHJ-UKRRQHHQSA-N 1 2 394.313 2.684 20 30 GFEDLO CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@@H+]1Cc1ccc(Br)cc1C#N ZINC000558126175 564892956 /nfs/dbraw/zinc/89/29/56/564892956.db2.gz PAIHGEAPJSBWGI-JKSUJKDBSA-N 1 2 381.270 2.863 20 30 GFEDLO CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@H+]1Cc1ccc(Br)cc1C#N ZINC000558126175 564892960 /nfs/dbraw/zinc/89/29/60/564892960.db2.gz PAIHGEAPJSBWGI-JKSUJKDBSA-N 1 2 381.270 2.863 20 30 GFEDLO N#Cc1ccc(S(=O)(=O)NCc2cn3cc(Cl)ccc3[nH+]2)c(Cl)c1 ZINC000503476268 565021013 /nfs/dbraw/zinc/02/10/13/565021013.db2.gz HZIOMQVIXAPYCI-UHFFFAOYSA-N 1 2 381.244 2.991 20 30 GFEDLO C=CCOCCC[NH+]1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000470718357 565054143 /nfs/dbraw/zinc/05/41/43/565054143.db2.gz QXFOBWJFCOSAMC-UHFFFAOYSA-N 1 2 393.336 2.892 20 30 GFEDLO Cc1cc(N2CC[C@@H]([NH2+]Cc3nc(C#N)cs3)C2=O)ccc1Br ZINC000589317846 565161250 /nfs/dbraw/zinc/16/12/50/565161250.db2.gz QXKUSMPYORAUCH-CQSZACIVSA-N 1 2 391.294 2.981 20 30 GFEDLO N#Cc1cccc(S(=O)(=O)CC[NH+]2CCC3(CC2)C(F)(F)C3(F)F)c1 ZINC000593054994 565310014 /nfs/dbraw/zinc/31/00/14/565310014.db2.gz PROCTTMVABGKJY-UHFFFAOYSA-N 1 2 376.375 2.698 20 30 GFEDLO C=CCCn1cc(C[NH+]2CCN(c3ccc(Br)cc3)CC2)nn1 ZINC000661576914 565328994 /nfs/dbraw/zinc/32/89/94/565328994.db2.gz RJCNCGOSTGXZFO-UHFFFAOYSA-N 1 2 376.302 2.939 20 30 GFEDLO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1S(=O)(=O)c1ccsc1C#N ZINC000593568799 565342964 /nfs/dbraw/zinc/34/29/64/565342964.db2.gz JCYRWPZGXCCQEE-HUUCEWRRSA-N 1 2 375.519 2.903 20 30 GFEDLO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1S(=O)(=O)c1ccsc1C#N ZINC000593568799 565342967 /nfs/dbraw/zinc/34/29/67/565342967.db2.gz JCYRWPZGXCCQEE-HUUCEWRRSA-N 1 2 375.519 2.903 20 30 GFEDLO CN(CCC#N)C(=O)CC[N@@H+]1CCOC[C@H]1c1cccc(Br)c1 ZINC000595758437 565489409 /nfs/dbraw/zinc/48/94/09/565489409.db2.gz AEOKGSFWLNTFST-INIZCTEOSA-N 1 2 380.286 2.585 20 30 GFEDLO CN(CCC#N)C(=O)CC[N@H+]1CCOC[C@H]1c1cccc(Br)c1 ZINC000595758437 565489415 /nfs/dbraw/zinc/48/94/15/565489415.db2.gz AEOKGSFWLNTFST-INIZCTEOSA-N 1 2 380.286 2.585 20 30 GFEDLO COC(=O)C[N@@H+](Cc1cccc(Br)c1)C[C@@H](O)CC(C)(C)C#N ZINC000598614819 565628980 /nfs/dbraw/zinc/62/89/80/565628980.db2.gz DOAADOMBYPZKFO-HNNXBMFYSA-N 1 2 383.286 2.725 20 30 GFEDLO COC(=O)C[N@H+](Cc1cccc(Br)c1)C[C@@H](O)CC(C)(C)C#N ZINC000598614819 565628983 /nfs/dbraw/zinc/62/89/83/565628983.db2.gz DOAADOMBYPZKFO-HNNXBMFYSA-N 1 2 383.286 2.725 20 30 GFEDLO Cn1nccc1[C@H]1c2[nH]c[nH+]c2CCN1Cc1cc(C#N)ccc1Br ZINC000599444957 565679435 /nfs/dbraw/zinc/67/94/35/565679435.db2.gz OJIMCQDYUMMQNK-SFHVURJKSA-N 1 2 397.280 2.925 20 30 GFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1scc(Br)c1Br ZINC000602332442 565839665 /nfs/dbraw/zinc/83/96/65/565839665.db2.gz KBYDLETUHSBEQB-NSHDSACASA-N 1 2 395.120 2.847 20 30 GFEDLO N#C[C@@H](c1ccc(Br)cc1)N1CC[NH+](CCc2cnccn2)CC1 ZINC000602795827 565868045 /nfs/dbraw/zinc/86/80/45/565868045.db2.gz AHLSOOAXBNMPKP-SFHVURJKSA-N 1 2 386.297 2.664 20 30 GFEDLO C[C@@H]1C[NH+]([C@H]2CCc3cc(Br)ccc3NC2=O)C[C@@H](C)N1CC#N ZINC000602847447 565870594 /nfs/dbraw/zinc/87/05/94/565870594.db2.gz BSMLXIULRDEMTM-XNJGSVPQSA-N 1 2 391.313 2.621 20 30 GFEDLO Cn1cc[nH+]c1CCCOC(=O)COc1cccc(Br)c1C#N ZINC000835329722 660851332 /nfs/dbraw/zinc/85/13/32/660851332.db2.gz KIAAMFRYHDWNAM-UHFFFAOYSA-N 1 2 378.226 2.609 20 30 GFEDLO C[C@@H](O[NH+]=C(N)Cc1cccnc1)C(=O)Nc1ccc(Br)cc1 ZINC000122415112 654736067 /nfs/dbraw/zinc/73/60/67/654736067.db2.gz GONBLBXUMULSOA-LLVKDONJSA-N 1 2 377.242 2.703 20 30 GFEDLO N#Cc1cc(S(=O)(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)ccc1Cl ZINC000055215168 654771421 /nfs/dbraw/zinc/77/14/21/654771421.db2.gz BJMRXGAUXQBSBF-MRXNPFEDSA-N 1 2 379.869 2.920 20 30 GFEDLO C=C(Br)CNC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000069119889 654973839 /nfs/dbraw/zinc/97/38/39/654973839.db2.gz XIFFIJYVPNZSQH-UHFFFAOYSA-N 1 2 382.306 2.649 20 30 GFEDLO Cc1cc(C#N)ccc1S(=O)(=O)N1CC[NH2+]C[C@@H]1c1ccccc1Cl ZINC000261722082 655442021 /nfs/dbraw/zinc/44/20/21/655442021.db2.gz NPJPNJUVYPYTHO-QGZVFWFLSA-N 1 2 375.881 2.855 20 30 GFEDLO N#CCCCC[NH+]1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000755639795 655886692 /nfs/dbraw/zinc/88/66/92/655886692.db2.gz SBCFBECQYUPBRY-UHFFFAOYSA-N 1 2 375.416 2.706 20 30 GFEDLO Cc1cc(Br)cn2c(CN=Nc3ccc(-n4cccn4)nn3)c[nH+]c12 ZINC000783827333 657264349 /nfs/dbraw/zinc/26/43/49/657264349.db2.gz NWLZGHXRMRCVRE-UHFFFAOYSA-N 1 2 397.240 2.827 20 30 GFEDLO C#CCCCNC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000806877193 659843597 /nfs/dbraw/zinc/84/35/97/659843597.db2.gz PMAWWANKUQANIZ-UHFFFAOYSA-N 1 2 379.258 2.864 20 30 GFEDLO C=C(Br)C[NH+]1CCC(n2nnc(C(=O)OCC)c2C(F)F)CC1 ZINC000879299174 662922818 /nfs/dbraw/zinc/92/28/18/662922818.db2.gz XXUJWVAMRWZQBI-UHFFFAOYSA-N 1 2 393.232 2.938 20 30 GFEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)Cc1ccc(Br)cc1Cl ZINC000884325859 663068973 /nfs/dbraw/zinc/06/89/73/663068973.db2.gz CGXRWXSEKAMDAS-ZDUSSCGKSA-N 1 2 389.677 2.508 20 30 GFEDLO C[N@@H+]1CCC[C@H]1c1cc(C(=O)N[C@H](C#N)c2cccc(Br)c2)[nH]n1 ZINC000900464897 663715047 /nfs/dbraw/zinc/71/50/47/663715047.db2.gz TZXARPKNKBGARN-CVEARBPZSA-N 1 2 388.269 2.934 20 30 GFEDLO C[N@H+]1CCC[C@H]1c1cc(C(=O)N[C@H](C#N)c2cccc(Br)c2)[nH]n1 ZINC000900464897 663715048 /nfs/dbraw/zinc/71/50/48/663715048.db2.gz TZXARPKNKBGARN-CVEARBPZSA-N 1 2 388.269 2.934 20 30 GFEDLO C[C@H](C(=O)NC1CC1)[NH+]1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932944067 664843864 /nfs/dbraw/zinc/84/38/64/664843864.db2.gz BUBUYTHKRACLJY-YEPSODPASA-N 1 2 380.279 2.756 20 30 GFEDLO N#Cc1ccc(F)c(CS(=O)(=O)NCc2cn3cc(Cl)ccc3[nH+]2)c1 ZINC000160448128 551580542 /nfs/dbraw/zinc/58/05/42/551580542.db2.gz UTLGVWYZSFTKGH-UHFFFAOYSA-N 1 2 378.816 2.618 20 30 GFEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cc(C#N)ccc1Br ZINC000191807318 552539045 /nfs/dbraw/zinc/53/90/45/552539045.db2.gz KRZMSZNJJDPVBZ-ZDUSSCGKSA-N 1 2 397.280 2.693 20 30 GFEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cc(C#N)ccc1Br ZINC000191807318 552539046 /nfs/dbraw/zinc/53/90/46/552539046.db2.gz KRZMSZNJJDPVBZ-ZDUSSCGKSA-N 1 2 397.280 2.693 20 30 GFEDLO C=CCSCCNC(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000245722154 553095762 /nfs/dbraw/zinc/09/57/62/553095762.db2.gz HRWAUXYSFJOTMN-SJORKVTESA-N 1 2 383.945 2.930 20 30 GFEDLO C=CCSCCNC(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000245722154 553095764 /nfs/dbraw/zinc/09/57/64/553095764.db2.gz HRWAUXYSFJOTMN-SJORKVTESA-N 1 2 383.945 2.930 20 30 GFEDLO C[C@H](C(=O)N1CSC[C@@H]1C(=O)Nc1cccc(F)c1)[NH+]1CCSCC1 ZINC000329382609 563479045 /nfs/dbraw/zinc/47/90/45/563479045.db2.gz OFLTYNBKLCQBPM-IUODEOHRSA-N 1 2 383.514 2.753 20 30 GFEDLO Cc1cc(Br)cn2cc(CNC(=O)N3CCOC[C@H]3C3CC3)[nH+]c12 ZINC000329515564 563482340 /nfs/dbraw/zinc/48/23/40/563482340.db2.gz MITYNKPLUFDHMR-HNNXBMFYSA-N 1 2 393.285 2.930 20 30 GFEDLO CC[NH+](CC)[C@H](CNS(=O)(=O)N(C)C[C@H](C)C#N)c1ccccc1Cl ZINC000409536393 563564491 /nfs/dbraw/zinc/56/44/91/563564491.db2.gz QDCKUQUDZDYQOE-RHSMWYFYSA-N 1 2 386.949 2.649 20 30 GFEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)cc1Cl ZINC000286628730 563568788 /nfs/dbraw/zinc/56/87/88/563568788.db2.gz SMGHLXLBTLAXGG-YPMHNXCESA-N 1 2 375.778 2.643 20 30 GFEDLO N#Cc1ccc(NC(=O)C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)cc1Cl ZINC000286628730 563568790 /nfs/dbraw/zinc/56/87/90/563568790.db2.gz SMGHLXLBTLAXGG-YPMHNXCESA-N 1 2 375.778 2.643 20 30 GFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ncsc3Br)CC2)cc1 ZINC000288109109 563629658 /nfs/dbraw/zinc/62/96/58/563629658.db2.gz VJFGIHJZPLFNRT-UHFFFAOYSA-N 1 2 391.294 2.735 20 30 GFEDLO COC(=O)C[C@H]1CSCC[N@@H+]1[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000438591617 563707389 /nfs/dbraw/zinc/70/73/89/563707389.db2.gz LWRAZQVPYNYUKM-FZMZJTMJSA-N 1 2 381.885 2.519 20 30 GFEDLO COC(=O)C[C@H]1CSCC[N@H+]1[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000438591617 563707391 /nfs/dbraw/zinc/70/73/91/563707391.db2.gz LWRAZQVPYNYUKM-FZMZJTMJSA-N 1 2 381.885 2.519 20 30 GFEDLO N#Cc1c(Br)cccc1N1CC[NH+]([C@@H](C(N)=O)c2ccccc2)CC1 ZINC000439962690 563733234 /nfs/dbraw/zinc/73/32/34/563733234.db2.gz RJOMBECPRLOCGH-GOSISDBHSA-N 1 2 399.292 2.669 20 30 GFEDLO Cc1cnc(C2CC[NH+](CCS(=O)(=O)c3cccc(C#N)c3)CC2)s1 ZINC000369353644 563892962 /nfs/dbraw/zinc/89/29/62/563892962.db2.gz OFOVPVMIZMAGQT-UHFFFAOYSA-N 1 2 375.519 2.977 20 30 GFEDLO N#Cc1cccc(C(=O)N2CC[NH+](Cc3ccncc3)CC2)c1Br ZINC000448595912 563898552 /nfs/dbraw/zinc/89/85/52/563898552.db2.gz CNZZWUZHZRFNBC-UHFFFAOYSA-N 1 2 385.265 2.674 20 30 GFEDLO C[C@@H]1CCN(S(=O)(=O)c2ccc(CC#N)cc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000451307042 564298743 /nfs/dbraw/zinc/29/87/43/564298743.db2.gz BKNRIUNPGPAJCI-CZUORRHYSA-N 1 2 378.885 2.874 20 30 GFEDLO C[N@H+](CCOc1ccccc1Cl)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000513790416 564438428 /nfs/dbraw/zinc/43/84/28/564438428.db2.gz XRBMFAVRVBCNGB-UHFFFAOYSA-N 1 2 378.881 2.996 20 30 GFEDLO C[N@@H+](CCOc1ccccc1Cl)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000513790416 564438432 /nfs/dbraw/zinc/43/84/32/564438432.db2.gz XRBMFAVRVBCNGB-UHFFFAOYSA-N 1 2 378.881 2.996 20 30 GFEDLO C=C(C)CN(C)C(=O)C[NH+]1CCN(Cc2ccc(Br)cc2F)CC1 ZINC000482130126 564535229 /nfs/dbraw/zinc/53/52/29/564535229.db2.gz LHQXTASPFQAZOF-UHFFFAOYSA-N 1 2 398.320 2.740 20 30 GFEDLO C=CCN(CCC#N)C(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000455957376 564580935 /nfs/dbraw/zinc/58/09/35/564580935.db2.gz PUVFEWSJWWKDAO-UHFFFAOYSA-N 1 2 394.273 2.614 20 30 GFEDLO CC1(C)C[N@H+](CCNC(=O)Nc2ccc(C#N)c(Br)c2)CCO1 ZINC000487969130 564700874 /nfs/dbraw/zinc/70/08/74/564700874.db2.gz OTQXTHUYZHTLJL-UHFFFAOYSA-N 1 2 381.274 2.553 20 30 GFEDLO CC1(C)C[N@@H+](CCNC(=O)Nc2ccc(C#N)c(Br)c2)CCO1 ZINC000487969130 564700878 /nfs/dbraw/zinc/70/08/78/564700878.db2.gz OTQXTHUYZHTLJL-UHFFFAOYSA-N 1 2 381.274 2.553 20 30 GFEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+](C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000527050393 564727824 /nfs/dbraw/zinc/72/78/24/564727824.db2.gz PAXXPBICKMWKOV-LLVKDONJSA-N 1 2 383.279 2.815 20 30 GFEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000527050393 564727827 /nfs/dbraw/zinc/72/78/27/564727827.db2.gz PAXXPBICKMWKOV-LLVKDONJSA-N 1 2 383.279 2.815 20 30 GFEDLO N#Cc1csc(C[NH2+]Cc2ccc(Br)cc2N2CCOCC2)n1 ZINC000554971599 564780063 /nfs/dbraw/zinc/78/00/63/564780063.db2.gz QYYSAZVZRJMOBU-UHFFFAOYSA-N 1 2 393.310 2.904 20 30 GFEDLO Cc1cc(N2CC[C@@H]([NH2+]C[C@@H](C#N)CCC#N)C2=O)ccc1Br ZINC000581641149 564811610 /nfs/dbraw/zinc/81/16/10/564811610.db2.gz JLMICDBNUUPZHF-CZUORRHYSA-N 1 2 375.270 2.896 20 30 GFEDLO C=CC[N@@H+](CCN1CCCS1(=O)=O)Cc1cc(Br)ccc1F ZINC000533326522 564960531 /nfs/dbraw/zinc/96/05/31/564960531.db2.gz XYQTWCWXNUNFGX-UHFFFAOYSA-N 1 2 391.306 2.612 20 30 GFEDLO C=CC[N@H+](CCN1CCCS1(=O)=O)Cc1cc(Br)ccc1F ZINC000533326522 564960533 /nfs/dbraw/zinc/96/05/33/564960533.db2.gz XYQTWCWXNUNFGX-UHFFFAOYSA-N 1 2 391.306 2.612 20 30 GFEDLO CC#CC[NH2+]Cc1cn([C@@H](C)C(=O)Nc2ccc(Br)c(C)c2)nn1 ZINC000640907378 565336435 /nfs/dbraw/zinc/33/64/35/565336435.db2.gz QLGJAGVCUJQUIK-ZDUSSCGKSA-N 1 2 390.285 2.662 20 30 GFEDLO N#Cc1sccc1N1CC[NH+](C[C@H](O)COc2ccc(Cl)cc2)CC1 ZINC000595632857 565485862 /nfs/dbraw/zinc/48/58/62/565485862.db2.gz KDWHGRWMFWYBBY-HNNXBMFYSA-N 1 2 377.897 2.835 20 30 GFEDLO C[C@@H]1C[N@H+]([C@@H]2CCc3cc(Br)ccc3NC2=O)C[C@H](C)N1CC#N ZINC000602847443 565870868 /nfs/dbraw/zinc/87/08/68/565870868.db2.gz BSMLXIULRDEMTM-IIYDPXPESA-N 1 2 391.313 2.621 20 30 GFEDLO C[C@@H]1C[N@@H+]([C@@H]2CCc3cc(Br)ccc3NC2=O)C[C@H](C)N1CC#N ZINC000602847443 565870870 /nfs/dbraw/zinc/87/08/70/565870870.db2.gz BSMLXIULRDEMTM-IIYDPXPESA-N 1 2 391.313 2.621 20 30 GFEDLO N#Cc1cc(Br)cc(S(=O)(=O)Nc2ccc3[nH+]ccn3c2)c1 ZINC000610657410 566091792 /nfs/dbraw/zinc/09/17/92/566091792.db2.gz OVIZCSQHNZCTIO-UHFFFAOYSA-N 1 2 377.223 2.769 20 30 GFEDLO C=CC[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000819745700 599565932 /nfs/dbraw/zinc/56/59/32/599565932.db2.gz PXYVYSPIQXUKQP-UHFFFAOYSA-N 1 2 398.430 2.977 20 30 GFEDLO C=CC[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000819745700 599565934 /nfs/dbraw/zinc/56/59/34/599565934.db2.gz PXYVYSPIQXUKQP-UHFFFAOYSA-N 1 2 398.430 2.977 20 30 GFEDLO C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000823909769 607560743 /nfs/dbraw/zinc/56/07/43/607560743.db2.gz QHIKOXNWNMKUNC-UHFFFAOYSA-N 1 2 392.467 2.856 20 30 GFEDLO CC(C)Cc1nc(-c2nn[nH]n2)c(N=NC2C[N@H+](Cc3ccccc3)C[C@@H]2C)o1 ZINC000820107692 606340298 /nfs/dbraw/zinc/34/02/98/606340298.db2.gz ABGOCLRLBMZUSC-AWEZNQCLSA-N 1 2 394.483 2.973 20 30 GFEDLO CC(C)Cc1nc(-c2nn[nH]n2)c(N=NC2C[N@@H+](Cc3ccccc3)C[C@@H]2C)o1 ZINC000820107692 606340300 /nfs/dbraw/zinc/34/03/00/606340300.db2.gz ABGOCLRLBMZUSC-AWEZNQCLSA-N 1 2 394.483 2.973 20 30 GFEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000826380266 608749242 /nfs/dbraw/zinc/74/92/42/608749242.db2.gz SWRKOTPKGVPHPI-OALUTQOASA-N 1 2 384.447 2.786 20 30 GFEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000826380266 608749245 /nfs/dbraw/zinc/74/92/45/608749245.db2.gz SWRKOTPKGVPHPI-OALUTQOASA-N 1 2 384.447 2.786 20 30 GFEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000826380267 608749431 /nfs/dbraw/zinc/74/94/31/608749431.db2.gz SWRKOTPKGVPHPI-RBUKOAKNSA-N 1 2 384.447 2.786 20 30 GFEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000826380267 608749432 /nfs/dbraw/zinc/74/94/32/608749432.db2.gz SWRKOTPKGVPHPI-RBUKOAKNSA-N 1 2 384.447 2.786 20 30 GFEDLO N#Cc1cc(Br)ccc1N1CC(C(=O)OCCCn2cc[nH+]c2)C1 ZINC000829447714 660592589 /nfs/dbraw/zinc/59/25/89/660592589.db2.gz OVVMZMBOXIRBAN-UHFFFAOYSA-N 1 2 389.253 2.587 20 30 GFEDLO C[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000052638578 654737750 /nfs/dbraw/zinc/73/77/50/654737750.db2.gz ZNXHNZQFVBAWFY-CGTJXYLNSA-N 1 2 382.291 2.692 20 30 GFEDLO C[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000052638578 654737754 /nfs/dbraw/zinc/73/77/54/654737754.db2.gz ZNXHNZQFVBAWFY-CGTJXYLNSA-N 1 2 382.291 2.692 20 30 GFEDLO C#CCCS(=O)(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000288270874 655344098 /nfs/dbraw/zinc/34/40/98/655344098.db2.gz HZJAYBXICAZMRA-UHFFFAOYSA-N 1 2 375.321 2.901 20 30 GFEDLO N#CCC1(CS(=O)(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)CC1 ZINC000574239127 655427071 /nfs/dbraw/zinc/42/70/71/655427071.db2.gz PMXQHYMTBVVSSW-UHFFFAOYSA-N 1 2 381.929 2.871 20 30 GFEDLO N#CCC1(CS(=O)(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)CC1 ZINC000574239127 655427072 /nfs/dbraw/zinc/42/70/72/655427072.db2.gz PMXQHYMTBVVSSW-UHFFFAOYSA-N 1 2 381.929 2.871 20 30 GFEDLO CCc1nc(C#N)cc(NCCc2cn3cc(Br)cc(C)c3[nH+]2)n1 ZINC000596198565 655514875 /nfs/dbraw/zinc/51/48/75/655514875.db2.gz MLUPIKBCIDDBGC-UHFFFAOYSA-N 1 2 385.269 2.706 20 30 GFEDLO Cc1nn(C)c(N2CCOCC2)c1C=[NH+]Nc1ccccc1Br ZINC000755628121 655886494 /nfs/dbraw/zinc/88/64/94/655886494.db2.gz FTIRQONMPYNBEG-UHFFFAOYSA-N 1 2 378.274 2.774 20 30 GFEDLO Cc1ccn(C[N@H+](C)CCOc2ccc(Br)cc2)c(=O)c1C#N ZINC000758180634 655925545 /nfs/dbraw/zinc/92/55/45/655925545.db2.gz DQJKSWIPPVUPDS-UHFFFAOYSA-N 1 2 376.254 2.759 20 30 GFEDLO Cc1ccn(C[N@@H+](C)CCOc2ccc(Br)cc2)c(=O)c1C#N ZINC000758180634 655925550 /nfs/dbraw/zinc/92/55/50/655925550.db2.gz DQJKSWIPPVUPDS-UHFFFAOYSA-N 1 2 376.254 2.759 20 30 GFEDLO C#CC1CC[NH+](CN2Cc3cc(Br)c([N+](=O)[O-])cc3C2=O)CC1 ZINC000842635841 661346824 /nfs/dbraw/zinc/34/68/24/661346824.db2.gz AZNLHEMCJVFGEL-UHFFFAOYSA-N 1 2 378.226 2.616 20 30 GFEDLO CSc1nnc(SC)n1[NH+]=C[C@H]1COC(C)(C)N1C(=O)OC(C)(C)C ZINC000872417716 662765157 /nfs/dbraw/zinc/76/51/57/662765157.db2.gz LIUNHKMXIDQUNR-JTQLQIEISA-N 1 2 387.531 2.928 20 30 GFEDLO Cc1nc(C#N)cc(N(CCn2cc[nH+]c2)Cc2ccc(Br)o2)n1 ZINC000882350643 663025291 /nfs/dbraw/zinc/02/52/91/663025291.db2.gz NYWGSASIVVWZDF-UHFFFAOYSA-N 1 2 387.241 2.916 20 30 GFEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1cc(Cl)c(Br)cc1C ZINC000884401997 663070164 /nfs/dbraw/zinc/07/01/64/663070164.db2.gz HSQMPDIJNSIGRN-NSHDSACASA-N 1 2 375.650 2.796 20 30 GFEDLO C[N@H+](CCC(=O)Nc1sccc1C#N)Cc1ncc(Br)cn1 ZINC000931868757 664806344 /nfs/dbraw/zinc/80/63/44/664806344.db2.gz BOSINSGEERMRTR-UHFFFAOYSA-N 1 2 380.271 2.633 20 30 GFEDLO C[N@@H+](CCC(=O)Nc1sccc1C#N)Cc1ncc(Br)cn1 ZINC000931868757 664806345 /nfs/dbraw/zinc/80/63/45/664806345.db2.gz BOSINSGEERMRTR-UHFFFAOYSA-N 1 2 380.271 2.633 20 30 GFEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)c1 ZINC000931919791 664807396 /nfs/dbraw/zinc/80/73/96/664807396.db2.gz SVODVLSZUOJJEK-AWEZNQCLSA-N 1 2 376.375 2.698 20 30 GFEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)c1 ZINC000931919791 664807398 /nfs/dbraw/zinc/80/73/98/664807398.db2.gz SVODVLSZUOJJEK-AWEZNQCLSA-N 1 2 376.375 2.698 20 30 GFEDLO N#Cc1cc(S(=O)(=O)NCC[N@@H+]2CCc3sccc3C2)ccc1Cl ZINC000053673408 551167027 /nfs/dbraw/zinc/16/70/27/551167027.db2.gz UFMAIGFKWTXEKQ-UHFFFAOYSA-N 1 2 381.910 2.610 20 30 GFEDLO N#Cc1cc(S(=O)(=O)NCC[N@H+]2CCc3sccc3C2)ccc1Cl ZINC000053673408 551167028 /nfs/dbraw/zinc/16/70/28/551167028.db2.gz UFMAIGFKWTXEKQ-UHFFFAOYSA-N 1 2 381.910 2.610 20 30 GFEDLO N#Cc1c(Cl)cccc1S(=O)(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000156360702 551521198 /nfs/dbraw/zinc/52/11/98/551521198.db2.gz BEJPYNQVSSMFLL-UHFFFAOYSA-N 1 2 381.244 2.991 20 30 GFEDLO N#Cc1cc(Cl)ccc1S(=O)(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000156360564 551521236 /nfs/dbraw/zinc/52/12/36/551521236.db2.gz KCYAHTIGWHJYER-UHFFFAOYSA-N 1 2 381.244 2.991 20 30 GFEDLO CC[N@@H+]1CC[C@@H](NS(=O)(=O)CC2(C#N)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000166267859 551631254 /nfs/dbraw/zinc/63/12/54/551631254.db2.gz CRNGIMJXNVDPNQ-CVEARBPZSA-N 1 2 385.892 2.838 20 30 GFEDLO CC[N@H+]1CC[C@@H](NS(=O)(=O)CC2(C#N)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000166267859 551631259 /nfs/dbraw/zinc/63/12/59/551631259.db2.gz CRNGIMJXNVDPNQ-CVEARBPZSA-N 1 2 385.892 2.838 20 30 GFEDLO C=CC[N@@H+](CCOc1ccc(OC(F)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000174157435 552100891 /nfs/dbraw/zinc/10/08/91/552100891.db2.gz LOWYMUUBWGDEBW-CYBMUJFWSA-N 1 2 379.400 2.639 20 30 GFEDLO C=CC[N@H+](CCOc1ccc(OC(F)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000174157435 552100892 /nfs/dbraw/zinc/10/08/92/552100892.db2.gz LOWYMUUBWGDEBW-CYBMUJFWSA-N 1 2 379.400 2.639 20 30 GFEDLO CN(CCC#N)C(=O)CC[N@@H+]1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000181554148 552260605 /nfs/dbraw/zinc/26/06/05/552260605.db2.gz BVOQQQKIHFCXGT-MRXNPFEDSA-N 1 2 380.286 2.585 20 30 GFEDLO CN(CCC#N)C(=O)CC[N@H+]1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000181554148 552260607 /nfs/dbraw/zinc/26/06/07/552260607.db2.gz BVOQQQKIHFCXGT-MRXNPFEDSA-N 1 2 380.286 2.585 20 30 GFEDLO COC(=O)c1cnc([C@H](C)[NH2+]CC(=O)Nc2sc(C)c(C)c2C#N)s1 ZINC000425477585 563424528 /nfs/dbraw/zinc/42/45/28/563424528.db2.gz BJNWCZBEVUAPJA-VIFPVBQESA-N 1 2 378.479 2.769 20 30 GFEDLO N#Cc1ccc(NC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)c(Cl)c1 ZINC000426134954 563444840 /nfs/dbraw/zinc/44/48/40/563444840.db2.gz YGBPXFHGXZCNAG-KRWDZBQOSA-N 1 2 380.901 2.541 20 30 GFEDLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)c1cc(-c2cccs2)on1 ZINC000329095117 563472129 /nfs/dbraw/zinc/47/21/29/563472129.db2.gz XUBHGLGMNBRPLK-KRWDZBQOSA-N 1 2 379.507 2.916 20 30 GFEDLO C[C@@H](C(=O)N1CSC[C@@H]1C(=O)Nc1cccc(F)c1)[NH+]1CCSCC1 ZINC000329382610 563478860 /nfs/dbraw/zinc/47/88/60/563478860.db2.gz OFLTYNBKLCQBPM-SWLSCSKDSA-N 1 2 383.514 2.753 20 30 GFEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCC[C@@](O)(C(F)(F)F)C1 ZINC000330809557 563522495 /nfs/dbraw/zinc/52/24/95/563522495.db2.gz KCRHGLZSPLMYKS-BONVTDFDSA-N 1 2 375.778 2.928 20 30 GFEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCC[C@@](O)(C(F)(F)F)C1 ZINC000330809557 563522499 /nfs/dbraw/zinc/52/24/99/563522499.db2.gz KCRHGLZSPLMYKS-BONVTDFDSA-N 1 2 375.778 2.928 20 30 GFEDLO N#Cc1ccc([C@@H]([NH2+][C@@H]2CCOc3c(Br)cccc32)C(N)=O)cc1 ZINC000409855513 563573072 /nfs/dbraw/zinc/57/30/72/563573072.db2.gz MUKKOUYZEDRKES-HZPDHXFCSA-N 1 2 386.249 2.961 20 30 GFEDLO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1S(=O)(=O)c1ccc(C#N)s1 ZINC000435441361 563650929 /nfs/dbraw/zinc/65/09/29/563650929.db2.gz BNVZIMAEKORNFO-HUUCEWRRSA-N 1 2 375.519 2.903 20 30 GFEDLO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1S(=O)(=O)c1ccc(C#N)s1 ZINC000435441361 563650931 /nfs/dbraw/zinc/65/09/31/563650931.db2.gz BNVZIMAEKORNFO-HUUCEWRRSA-N 1 2 375.519 2.903 20 30 GFEDLO C[N@@H+]1CCN(S(=O)(=O)c2cccc(Cl)c2C#N)[C@@H](c2ccccc2)C1 ZINC000506217752 564198903 /nfs/dbraw/zinc/19/89/03/564198903.db2.gz URPSCVSNINKFKH-QGZVFWFLSA-N 1 2 375.881 2.889 20 30 GFEDLO C[N@H+]1CCN(S(=O)(=O)c2cccc(Cl)c2C#N)[C@@H](c2ccccc2)C1 ZINC000506217752 564198905 /nfs/dbraw/zinc/19/89/05/564198905.db2.gz URPSCVSNINKFKH-QGZVFWFLSA-N 1 2 375.881 2.889 20 30 GFEDLO C=CCNC(=O)NC[C@H]1CCC[N@H+]1Cc1ccc(I)cc1 ZINC000473983801 564260912 /nfs/dbraw/zinc/26/09/12/564260912.db2.gz SXKFSLHLMUPKJS-OAHLLOKOSA-N 1 2 399.276 2.741 20 30 GFEDLO C=CCNC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccc(I)cc1 ZINC000473983801 564260916 /nfs/dbraw/zinc/26/09/16/564260916.db2.gz SXKFSLHLMUPKJS-OAHLLOKOSA-N 1 2 399.276 2.741 20 30 GFEDLO N#Cc1ccccc1S(=O)(=O)N1CC[NH+](CCCc2ccsc2)CC1 ZINC000541162136 564267740 /nfs/dbraw/zinc/26/77/40/564267740.db2.gz ORJAFUJQEDHWNB-UHFFFAOYSA-N 1 2 375.519 2.559 20 30 GFEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH+](CCCc3ccsc3)CC2)cc1 ZINC000542104066 564301575 /nfs/dbraw/zinc/30/15/75/564301575.db2.gz DSSKTVMEMQLROV-UHFFFAOYSA-N 1 2 375.519 2.559 20 30 GFEDLO Cn1cc[nH+]c1CN1CCN(c2cc(Br)c(C#N)cc2F)CC1 ZINC000566479529 564329031 /nfs/dbraw/zinc/32/90/31/564329031.db2.gz UEHLENFIHGWGJK-UHFFFAOYSA-N 1 2 378.249 2.516 20 30 GFEDLO N#Cc1cnn2cc(C[N@@H+]3CCO[C@@H](c4ccc(Br)cc4)C3)cnc12 ZINC000568631987 564428097 /nfs/dbraw/zinc/42/80/97/564428097.db2.gz FCTRHRVJZIVBON-QGZVFWFLSA-N 1 2 398.264 2.937 20 30 GFEDLO N#Cc1cnn2cc(C[N@H+]3CCO[C@@H](c4ccc(Br)cc4)C3)cnc12 ZINC000568631987 564428101 /nfs/dbraw/zinc/42/81/01/564428101.db2.gz FCTRHRVJZIVBON-QGZVFWFLSA-N 1 2 398.264 2.937 20 30 GFEDLO C=CC[NH+](CC=C)[C@H](C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000569132115 564451091 /nfs/dbraw/zinc/45/10/91/564451091.db2.gz SNSDZRBIXTVTTC-CYBMUJFWSA-N 1 2 385.917 2.591 20 30 GFEDLO C[C@H]1C[C@@H](NS(=O)(=O)c2cc(Br)ccc2C#N)c2[nH+]ccn21 ZINC000571057993 564534411 /nfs/dbraw/zinc/53/44/11/564534411.db2.gz UEURHSXEXYBZHU-JOYOIKCWSA-N 1 2 381.255 2.502 20 30 GFEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(Br)cc1Cl ZINC000484599396 564591876 /nfs/dbraw/zinc/59/18/76/564591876.db2.gz YLRPHCYZUNMDCV-SNVBAGLBSA-N 1 2 388.693 2.935 20 30 GFEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(Br)cc1Cl ZINC000484599396 564591879 /nfs/dbraw/zinc/59/18/79/564591879.db2.gz YLRPHCYZUNMDCV-SNVBAGLBSA-N 1 2 388.693 2.935 20 30 GFEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+](C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000527050394 564727982 /nfs/dbraw/zinc/72/79/82/564727982.db2.gz PAXXPBICKMWKOV-NSHDSACASA-N 1 2 383.279 2.815 20 30 GFEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000527050394 564727985 /nfs/dbraw/zinc/72/79/85/564727985.db2.gz PAXXPBICKMWKOV-NSHDSACASA-N 1 2 383.279 2.815 20 30 GFEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1=O ZINC000499939189 564940956 /nfs/dbraw/zinc/94/09/56/564940956.db2.gz KUAGYPQGQLKSCH-CVEARBPZSA-N 1 2 382.291 2.817 20 30 GFEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1=O ZINC000499939189 564940957 /nfs/dbraw/zinc/94/09/57/564940957.db2.gz KUAGYPQGQLKSCH-CVEARBPZSA-N 1 2 382.291 2.817 20 30 GFEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)C1=O ZINC000499986306 564942534 /nfs/dbraw/zinc/94/25/34/564942534.db2.gz IHNYXMMAHGVIHN-MRXNPFEDSA-N 1 2 384.307 2.671 20 30 GFEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)C1=O ZINC000499986306 564942535 /nfs/dbraw/zinc/94/25/35/564942535.db2.gz IHNYXMMAHGVIHN-MRXNPFEDSA-N 1 2 384.307 2.671 20 30 GFEDLO C=CCCn1cc(C[NH2+][C@H]2CCN(c3cccc(Br)c3)C2=O)nn1 ZINC000657451487 565101690 /nfs/dbraw/zinc/10/16/90/565101690.db2.gz VUYSLHUTIVBYNB-INIZCTEOSA-N 1 2 390.285 2.512 20 30 GFEDLO CC[C@@H](NC(=O)C1CN(c2ccc(Br)cc2C#N)C1)c1[nH]cc[nH+]1 ZINC000592788176 565296280 /nfs/dbraw/zinc/29/62/80/565296280.db2.gz NQXDNPARLTUCPJ-CQSZACIVSA-N 1 2 388.269 2.748 20 30 GFEDLO C[C@H]1CC[N@H+](Cc2ccccc2)CCN1S(=O)(=O)c1ccc(C#N)s1 ZINC000619548007 565348666 /nfs/dbraw/zinc/34/86/66/565348666.db2.gz NGGMFMMGOBRXIG-HNNXBMFYSA-N 1 2 375.519 2.905 20 30 GFEDLO C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1S(=O)(=O)c1ccc(C#N)s1 ZINC000619548007 565348672 /nfs/dbraw/zinc/34/86/72/565348672.db2.gz NGGMFMMGOBRXIG-HNNXBMFYSA-N 1 2 375.519 2.905 20 30 GFEDLO C=CC[C@@]1(C(=O)NCc2n[nH]c(-c3ccc(Br)cc3)n2)CCC[NH2+]1 ZINC000662566524 565377276 /nfs/dbraw/zinc/37/72/76/565377276.db2.gz WBZSARFHUDJDJU-KRWDZBQOSA-N 1 2 390.285 2.549 20 30 GFEDLO C=CC[C@@]1(C(=O)NCc2nc(-c3ccc(Br)cc3)n[nH]2)CCC[NH2+]1 ZINC000662566524 565377281 /nfs/dbraw/zinc/37/72/81/565377281.db2.gz WBZSARFHUDJDJU-KRWDZBQOSA-N 1 2 390.285 2.549 20 30 GFEDLO COc1ncc(Br)cc1C[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000595502515 565480214 /nfs/dbraw/zinc/48/02/14/565480214.db2.gz SSQJACLPFAIUBO-OAHLLOKOSA-N 1 2 389.253 2.773 20 30 GFEDLO COc1ncc(Br)cc1C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000595502515 565480220 /nfs/dbraw/zinc/48/02/20/565480220.db2.gz SSQJACLPFAIUBO-OAHLLOKOSA-N 1 2 389.253 2.773 20 30 GFEDLO CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCN(c2ccc(Br)cc2)CC1 ZINC000595739726 565489999 /nfs/dbraw/zinc/48/99/99/565489999.db2.gz PYYPDGMAPDVFBU-SFHVURJKSA-N 1 2 393.329 2.626 20 30 GFEDLO COC(=O)[C@H](c1cccc(Br)c1)[N@H+](C)C[C@H](O)CC(C)(C)C#N ZINC000598602016 565628772 /nfs/dbraw/zinc/62/87/72/565628772.db2.gz ZCQGQNQFHRIFQF-CABCVRRESA-N 1 2 383.286 2.896 20 30 GFEDLO COC(=O)[C@H](c1cccc(Br)c1)[N@@H+](C)C[C@H](O)CC(C)(C)C#N ZINC000598602016 565628776 /nfs/dbraw/zinc/62/87/76/565628776.db2.gz ZCQGQNQFHRIFQF-CABCVRRESA-N 1 2 383.286 2.896 20 30 GFEDLO COc1ccc(Cl)cc1S(=O)(=O)N1CC[NH+](C[C@H](C)CCC#N)CC1 ZINC000602479428 565851431 /nfs/dbraw/zinc/85/14/31/565851431.db2.gz LESUKTIFWWBZBU-CQSZACIVSA-N 1 2 385.917 2.595 20 30 GFEDLO C[C@H](C(=O)Nc1ccc(Br)cc1)[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602867297 565872201 /nfs/dbraw/zinc/87/22/01/565872201.db2.gz XWRYTGOIDSTJQL-HZSPNIEDSA-N 1 2 379.302 2.694 20 30 GFEDLO C[C@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602867297 565872204 /nfs/dbraw/zinc/87/22/04/565872204.db2.gz XWRYTGOIDSTJQL-HZSPNIEDSA-N 1 2 379.302 2.694 20 30 GFEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000826380265 608749588 /nfs/dbraw/zinc/74/95/88/608749588.db2.gz SWRKOTPKGVPHPI-MOPGFXCFSA-N 1 2 384.447 2.786 20 30 GFEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000826380265 608749590 /nfs/dbraw/zinc/74/95/90/608749590.db2.gz SWRKOTPKGVPHPI-MOPGFXCFSA-N 1 2 384.447 2.786 20 30 GFEDLO NC(=[NH+]OCc1ccc(-c2nn[nH]n2)cc1F)c1ccc(Br)cc1 ZINC000826387957 660454274 /nfs/dbraw/zinc/45/42/74/660454274.db2.gz BQYYPYVSQQDFSA-UHFFFAOYSA-N 1 2 391.204 2.605 20 30 GFEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000852336278 661861290 /nfs/dbraw/zinc/86/12/90/661861290.db2.gz ZSBMEVNNIOJKBW-UMNHJUIQSA-N 1 2 380.124 2.505 20 30 GFEDLO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000852336278 661861291 /nfs/dbraw/zinc/86/12/91/661861291.db2.gz ZSBMEVNNIOJKBW-UMNHJUIQSA-N 1 2 380.124 2.505 20 30 GFEDLO Oc1ccc(Br)cc1/C=N/C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000032070122 654599496 /nfs/dbraw/zinc/59/94/96/654599496.db2.gz KYJJXEBNPNYFTG-HKJBKDEOSA-N 1 2 385.327 2.782 20 30 GFEDLO C=C(Br)CNC(=O)N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000171433824 655151857 /nfs/dbraw/zinc/15/18/57/655151857.db2.gz RDPYVGKMELYUPZ-AWEZNQCLSA-N 1 2 382.302 2.992 20 30 GFEDLO C=C[C@@H]1OCC[C@H]1NC(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000575962243 655440928 /nfs/dbraw/zinc/44/09/28/655440928.db2.gz OGQSTCLGINVNOR-CABCVRRESA-N 1 2 393.285 2.590 20 30 GFEDLO C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@H]2CCCC[N@H+]2C)nc1C ZINC000731867703 655587749 /nfs/dbraw/zinc/58/77/49/655587749.db2.gz QIBMURYCLHMAMH-LLVKDONJSA-N 1 2 378.527 2.608 20 30 GFEDLO C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@H]2CCCC[N@@H+]2C)nc1C ZINC000731867703 655587753 /nfs/dbraw/zinc/58/77/53/655587753.db2.gz QIBMURYCLHMAMH-LLVKDONJSA-N 1 2 378.527 2.608 20 30 GFEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)OC(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000767112212 656194437 /nfs/dbraw/zinc/19/44/37/656194437.db2.gz QEKWZKTYSBJCDZ-CABCVRRESA-N 1 2 382.551 2.632 20 30 GFEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)OC(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000767112212 656194440 /nfs/dbraw/zinc/19/44/40/656194440.db2.gz QEKWZKTYSBJCDZ-CABCVRRESA-N 1 2 382.551 2.632 20 30 GFEDLO N#Cc1ccc(N2CC[NH+](CCOc3ccccc3Br)CC2)cn1 ZINC000791047802 658055799 /nfs/dbraw/zinc/05/57/99/658055799.db2.gz GCUVAFAGENGMEK-UHFFFAOYSA-N 1 2 387.281 2.917 20 30 GFEDLO COc1ccc(Br)c(CN[NH+]=C2CCCc3nc(N)ncc32)c1 ZINC000814912178 660098350 /nfs/dbraw/zinc/09/83/50/660098350.db2.gz LDVNACXYAVLVHY-UHFFFAOYSA-N 1 2 376.258 2.660 20 30 GFEDLO N#CC[C@H]1CCC[N@@H+](Cn2c(=O)oc3cc(I)ccc32)C1 ZINC000853525351 661890878 /nfs/dbraw/zinc/89/08/78/661890878.db2.gz VOCSGHZFLAZIHS-LLVKDONJSA-N 1 2 397.216 2.782 20 30 GFEDLO N#CC[C@H]1CCC[N@H+](Cn2c(=O)oc3cc(I)ccc32)C1 ZINC000853525351 661890879 /nfs/dbraw/zinc/89/08/79/661890879.db2.gz VOCSGHZFLAZIHS-LLVKDONJSA-N 1 2 397.216 2.782 20 30 GFEDLO C=CCCn1cc(C[NH2+][C@@H]2CCc3cc(Br)ccc3NC2=O)nn1 ZINC000883387303 663054685 /nfs/dbraw/zinc/05/46/85/663054685.db2.gz VISLKJIVCNRJDW-MRXNPFEDSA-N 1 2 390.285 2.660 20 30 GFEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1C[C@H](c2ccc(Br)cc2)C[C@@H]1C ZINC000884440204 663070787 /nfs/dbraw/zinc/07/07/87/663070787.db2.gz APVGKLIKWAYOBG-BJJXKVORSA-N 1 2 395.297 2.600 20 30 GFEDLO Cc1nn(C)c(C[N@@H+]2CCC[C@@H](Nc3ccc(C#N)cn3)C2)c1Br ZINC000896654778 663570030 /nfs/dbraw/zinc/57/00/30/663570030.db2.gz SGEAEASWRJXSPP-CQSZACIVSA-N 1 2 389.301 2.834 20 30 GFEDLO Cc1nn(C)c(C[N@H+]2CCC[C@@H](Nc3ccc(C#N)cn3)C2)c1Br ZINC000896654778 663570031 /nfs/dbraw/zinc/57/00/31/663570031.db2.gz SGEAEASWRJXSPP-CQSZACIVSA-N 1 2 389.301 2.834 20 30 GFEDLO CCc1ccc(C[NH+]2CCN(C(=O)NCc3nc(C#N)cs3)CC2)s1 ZINC000897294570 663599177 /nfs/dbraw/zinc/59/91/77/663599177.db2.gz QUBQGZGCQHBFEV-UHFFFAOYSA-N 1 2 375.523 2.666 20 30 GFEDLO C[N@@H+]1CCC[C@H]1c1cc(C(=O)N[C@@H](C#N)c2ccc(Br)cc2)[nH]n1 ZINC000900112075 663708349 /nfs/dbraw/zinc/70/83/49/663708349.db2.gz QINXIXPJKSDJFN-HOTGVXAUSA-N 1 2 388.269 2.934 20 30 GFEDLO C[N@H+]1CCC[C@H]1c1cc(C(=O)N[C@@H](C#N)c2ccc(Br)cc2)[nH]n1 ZINC000900112075 663708350 /nfs/dbraw/zinc/70/83/50/663708350.db2.gz QINXIXPJKSDJFN-HOTGVXAUSA-N 1 2 388.269 2.934 20 30 GFEDLO COc1cc([C@H](C)[NH2+]Cc2nc(C#N)cs2)ccc1S(=O)(=O)C(F)F ZINC000903262923 663780705 /nfs/dbraw/zinc/78/07/05/663780705.db2.gz JKMZXECMKXBDBH-VIFPVBQESA-N 1 2 387.433 2.870 20 30 GFEDLO C=C(Br)CNC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000921042161 664535924 /nfs/dbraw/zinc/53/59/24/664535924.db2.gz ODGUMUATSQJZCO-UHFFFAOYSA-N 1 2 377.242 2.550 20 30 GFEDLO CC[C@@H]([NH2+]Cc1c(I)cnn1C)c1cccc(C#N)c1O ZINC000926814679 664696959 /nfs/dbraw/zinc/69/69/59/664696959.db2.gz WTZRLHOAMMYPRL-CYBMUJFWSA-N 1 2 396.232 2.843 20 30 GFEDLO COC(=O)c1ccsc1N1CC[C@@H]([N@H+](C)Cc2cc(C#N)cs2)C1=O ZINC000933778572 664877872 /nfs/dbraw/zinc/87/78/72/664877872.db2.gz RIZWEWUKDISEKH-CQSZACIVSA-N 1 2 375.475 2.705 20 30 GFEDLO COC(=O)c1ccsc1N1CC[C@@H]([N@@H+](C)Cc2cc(C#N)cs2)C1=O ZINC000933778572 664877874 /nfs/dbraw/zinc/87/78/74/664877874.db2.gz RIZWEWUKDISEKH-CQSZACIVSA-N 1 2 375.475 2.705 20 30 GFEDLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2nc(-c3ccncc3)ccc2C#N)CC1 ZINC001164917782 721818514 /nfs/dbraw/zinc/81/85/14/721818514.db2.gz HQZOZYGNQZRNIM-UHFFFAOYSA-N 1 2 399.502 2.961 20 30 GFEDLO CC(=O)NC[C@@H]1CCC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)C1 ZINC000067415063 207286815 /nfs/dbraw/zinc/28/68/15/207286815.db2.gz ODVOTBBLGVZHIS-SFHVURJKSA-N 1 2 399.539 2.878 20 30 GFEDLO CC(=O)NC[C@@H]1CCC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)C1 ZINC000067415063 207286819 /nfs/dbraw/zinc/28/68/19/207286819.db2.gz ODVOTBBLGVZHIS-SFHVURJKSA-N 1 2 399.539 2.878 20 30 GFEDLO C[C@H](CNS(=O)(=O)c1ccc(Cl)c(C#N)c1)[N@@H+]1CCc2sccc2C1 ZINC000055244538 551171830 /nfs/dbraw/zinc/17/18/30/551171830.db2.gz DHZZQNAMBVPVCX-GFCCVEGCSA-N 1 2 395.937 2.998 20 30 GFEDLO C[C@H](CNS(=O)(=O)c1ccc(Cl)c(C#N)c1)[N@H+]1CCc2sccc2C1 ZINC000055244538 551171832 /nfs/dbraw/zinc/17/18/32/551171832.db2.gz DHZZQNAMBVPVCX-GFCCVEGCSA-N 1 2 395.937 2.998 20 30 GFEDLO CCCNC(=O)[C@H](C)[NH+]1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000120987330 551224263 /nfs/dbraw/zinc/22/42/63/551224263.db2.gz DXCZMJYMDKCACV-WMLDXEAASA-N 1 2 393.329 2.546 20 30 GFEDLO CC(C)(C)NC(=O)C[NH+]1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000120990294 551224308 /nfs/dbraw/zinc/22/43/08/551224308.db2.gz VQOZRIIHJDIPOR-INIZCTEOSA-N 1 2 393.329 2.546 20 30 GFEDLO CC(C)C[NH+]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)CC1 ZINC000158751190 551556422 /nfs/dbraw/zinc/55/64/22/551556422.db2.gz HTUUKGDKBIAZJS-UHFFFAOYSA-N 1 2 375.416 2.539 20 30 GFEDLO N#Cc1ccc(S(=O)(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)c(Cl)c1 ZINC000183401731 552308462 /nfs/dbraw/zinc/30/84/62/552308462.db2.gz YTCFBMLZVCSIJK-OAHLLOKOSA-N 1 2 379.869 2.920 20 30 GFEDLO C=CC[N@@H+](CCOc1cc(F)cc(Br)c1)[C@H]1CCS(=O)(=O)C1 ZINC000189187992 552465685 /nfs/dbraw/zinc/46/56/85/552465685.db2.gz GJEYOASFZDPYFC-AWEZNQCLSA-N 1 2 392.290 2.642 20 30 GFEDLO C=CC[N@H+](CCOc1cc(F)cc(Br)c1)[C@H]1CCS(=O)(=O)C1 ZINC000189187992 552465689 /nfs/dbraw/zinc/46/56/89/552465689.db2.gz GJEYOASFZDPYFC-AWEZNQCLSA-N 1 2 392.290 2.642 20 30 GFEDLO C[N@@H+]1CCN(S(=O)(=O)c2cc(C#N)ccc2Cl)[C@@H](c2ccccc2)C1 ZINC000247301082 553120798 /nfs/dbraw/zinc/12/07/98/553120798.db2.gz FJSXSBFINVKXGB-QGZVFWFLSA-N 1 2 375.881 2.889 20 30 GFEDLO C[N@H+]1CCN(S(=O)(=O)c2cc(C#N)ccc2Cl)[C@@H](c2ccccc2)C1 ZINC000247301082 553120799 /nfs/dbraw/zinc/12/07/99/553120799.db2.gz FJSXSBFINVKXGB-QGZVFWFLSA-N 1 2 375.881 2.889 20 30 GFEDLO N#C[C@@H]1CC[C@@H]([NH+]2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000278661222 563265245 /nfs/dbraw/zinc/26/52/45/563265245.db2.gz QMLZZBLOLBHAHX-CHWSQXEVSA-N 1 2 388.320 2.992 20 30 GFEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CC[S@@](=O)C[C@@H](C)C3)n2)C1 ZINC000329337825 563478284 /nfs/dbraw/zinc/47/82/84/563478284.db2.gz QCKLKYBJMXHLGN-PJGQNWHFSA-N 1 2 384.571 2.621 20 30 GFEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CC[S@@](=O)C[C@@H](C)C3)n2)C1 ZINC000329337825 563478286 /nfs/dbraw/zinc/47/82/86/563478286.db2.gz QCKLKYBJMXHLGN-PJGQNWHFSA-N 1 2 384.571 2.621 20 30 GFEDLO Cc1ccsc1-c1nc(=NC(=O)NC[C@@]2([NH+](C)C)CCSC2)s[nH]1 ZINC000329949423 563492205 /nfs/dbraw/zinc/49/22/05/563492205.db2.gz ZZTQTIAXNXITLI-HNNXBMFYSA-N 1 2 383.568 2.760 20 30 GFEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCC[C@@](O)(C(F)(F)F)C1 ZINC000330809556 563522431 /nfs/dbraw/zinc/52/24/31/563522431.db2.gz KCRHGLZSPLMYKS-BMIGLBTASA-N 1 2 375.778 2.928 20 30 GFEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCC[C@@](O)(C(F)(F)F)C1 ZINC000330809556 563522434 /nfs/dbraw/zinc/52/24/34/563522434.db2.gz KCRHGLZSPLMYKS-BMIGLBTASA-N 1 2 375.778 2.928 20 30 GFEDLO CC[C@H]1CN(C(=O)c2cccc(C#N)c2Br)C[C@@H]1[NH+]1CCOCC1 ZINC000331299904 563544134 /nfs/dbraw/zinc/54/41/34/563544134.db2.gz BLZXDTPLQBZLOQ-BBRMVZONSA-N 1 2 392.297 2.504 20 30 GFEDLO CCN1CCN(C(=O)c2cccc(C#N)c2Br)C[C@@H]1c1[nH]cc[nH+]1 ZINC000332320286 563593095 /nfs/dbraw/zinc/59/30/95/563593095.db2.gz NOLQTILAZDJGKO-CQSZACIVSA-N 1 2 388.269 2.563 20 30 GFEDLO CC[NH+]1CCN(c2ccccc2NS(=O)(=O)c2ccc(C#N)s2)CC1 ZINC000435436675 563651571 /nfs/dbraw/zinc/65/15/71/563651571.db2.gz GXOYOCUVNFTQJW-UHFFFAOYSA-N 1 2 376.507 2.562 20 30 GFEDLO CCOC(=O)c1cc(Cl)c(OC[C@@H](O)C[N@H+](C)CCC#N)c(Cl)c1 ZINC000414148135 563721111 /nfs/dbraw/zinc/72/11/11/563721111.db2.gz SEWBTJBQNYKXGG-LBPRGKRZSA-N 1 2 375.252 2.755 20 30 GFEDLO CCOC(=O)c1cc(Cl)c(OC[C@@H](O)C[N@@H+](C)CCC#N)c(Cl)c1 ZINC000414148135 563721113 /nfs/dbraw/zinc/72/11/13/563721113.db2.gz SEWBTJBQNYKXGG-LBPRGKRZSA-N 1 2 375.252 2.755 20 30 GFEDLO C[C@H](C#N)S(=O)(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000416380695 563820607 /nfs/dbraw/zinc/82/06/07/563820607.db2.gz AYXUKKVCKUOPJU-LLVKDONJSA-N 1 2 376.309 2.789 20 30 GFEDLO Cc1csc(=O)n1CC[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000471006006 564182903 /nfs/dbraw/zinc/18/29/03/564182903.db2.gz IUULGULLMYCPND-KRWDZBQOSA-N 1 2 376.913 2.754 20 30 GFEDLO N#Cc1c(Cl)cccc1S(=O)(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000506235234 564199059 /nfs/dbraw/zinc/19/90/59/564199059.db2.gz SOBPJSPTUSMCFT-UHFFFAOYSA-N 1 2 395.937 2.822 20 30 GFEDLO COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)CCC(=O)N(C)CCC#N ZINC000540053539 564238246 /nfs/dbraw/zinc/23/82/46/564238246.db2.gz CYDFKDJSLPDHRG-INIZCTEOSA-N 1 2 386.279 2.901 20 30 GFEDLO COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)CCC(=O)N(C)CCC#N ZINC000540053539 564238248 /nfs/dbraw/zinc/23/82/48/564238248.db2.gz CYDFKDJSLPDHRG-INIZCTEOSA-N 1 2 386.279 2.901 20 30 GFEDLO Cn1cc[nH+]c1[C@H](NS(=O)(=O)CC1(CC#N)CC1)c1ccc(Cl)cc1 ZINC000451004006 564262260 /nfs/dbraw/zinc/26/22/60/564262260.db2.gz VSHDWOYJKPDVMX-OAHLLOKOSA-N 1 2 378.885 2.776 20 30 GFEDLO N#Cc1ccc(Cl)c(S(=O)(=O)N2CC[NH+](CCc3cccs3)CC2)c1 ZINC000475593507 564313504 /nfs/dbraw/zinc/31/35/04/564313504.db2.gz WFLBNQUFPWDLBW-UHFFFAOYSA-N 1 2 395.937 2.822 20 30 GFEDLO Cc1cc(Br)cn2cc(CNc3ncc([N+](=O)[O-])cc3C#N)[nH+]c12 ZINC000546757738 564466958 /nfs/dbraw/zinc/46/69/58/564466958.db2.gz IGIRJNTXMBVCKP-UHFFFAOYSA-N 1 2 387.197 2.614 20 30 GFEDLO C[C@@H]([NH2+][C@H]1CCN(c2sccc2C#N)C1=O)c1ncc(Br)cn1 ZINC000570577496 564512464 /nfs/dbraw/zinc/51/24/64/564512464.db2.gz ZMVUJELLQQBUEF-SKDRFNHKSA-N 1 2 392.282 2.628 20 30 GFEDLO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C[C@H]1C ZINC000497985966 564884493 /nfs/dbraw/zinc/88/44/93/564884493.db2.gz WUADLRSHMYXEBV-VXGBXAGGSA-N 1 2 375.416 2.680 20 30 GFEDLO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C[C@H]1C ZINC000497985966 564884496 /nfs/dbraw/zinc/88/44/96/564884496.db2.gz WUADLRSHMYXEBV-VXGBXAGGSA-N 1 2 375.416 2.680 20 30 GFEDLO C=CCN1CC[C@H]([N@H+]2CCO[C@@H](c3ccc(Br)cc3)[C@@H]2C)C1=O ZINC000499577370 564931385 /nfs/dbraw/zinc/93/13/85/564931385.db2.gz SVHHFYWQYLLLJH-RRQGHBQHSA-N 1 2 379.298 2.998 20 30 GFEDLO C=CCN1CC[C@H]([N@@H+]2CCO[C@@H](c3ccc(Br)cc3)[C@@H]2C)C1=O ZINC000499577370 564931389 /nfs/dbraw/zinc/93/13/89/564931389.db2.gz SVHHFYWQYLLLJH-RRQGHBQHSA-N 1 2 379.298 2.998 20 30 GFEDLO Cc1c(Br)ccc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)c1F ZINC000469296922 565012412 /nfs/dbraw/zinc/01/24/12/565012412.db2.gz QNLRAARBXJREFB-UHFFFAOYSA-N 1 2 398.276 2.585 20 30 GFEDLO C=CCOc1c(Br)cc(C[N@@H+]2CC[C@@](O)(CC#N)C2)cc1OC ZINC000592522818 565281109 /nfs/dbraw/zinc/28/11/09/565281109.db2.gz GKYCDOKQFXDFKI-KRWDZBQOSA-N 1 2 381.270 2.873 20 30 GFEDLO C=CCOc1c(Br)cc(C[N@H+]2CC[C@@](O)(CC#N)C2)cc1OC ZINC000592522818 565281111 /nfs/dbraw/zinc/28/11/11/565281111.db2.gz GKYCDOKQFXDFKI-KRWDZBQOSA-N 1 2 381.270 2.873 20 30 GFEDLO C=C[C@@H]1OCC[C@H]1Nc1nc[nH+]c(N[C@@H]2CCO[C@H]2C=C)c1Br ZINC000663969311 565447219 /nfs/dbraw/zinc/44/72/19/565447219.db2.gz QJQQYLNVGKECOP-NDBYEHHHSA-N 1 2 381.274 2.750 20 30 GFEDLO N#C[C@H](c1ccc(Br)cc1)N1CC[NH+](CCc2cnccn2)CC1 ZINC000602795826 565867677 /nfs/dbraw/zinc/86/76/77/565867677.db2.gz AHLSOOAXBNMPKP-GOSISDBHSA-N 1 2 386.297 2.664 20 30 GFEDLO Cc1cc(Br)ccc1NC(=O)C[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602863924 565871566 /nfs/dbraw/zinc/87/15/66/565871566.db2.gz PRXRJJFFOFUBHD-ZIAGYGMSSA-N 1 2 379.302 2.614 20 30 GFEDLO C=C(C)C[C@H]1NC(=O)N(CCc2cn3cc(Br)cc(C)c3[nH+]2)C1=O ZINC000630977528 565930475 /nfs/dbraw/zinc/93/04/75/565930475.db2.gz DQWPXUFXZXOQIF-CQSZACIVSA-N 1 2 391.269 2.834 20 30 GFEDLO C=CCn1c(CC[NH+]2CCCCC2)nn(C[N@H+]2CCC[C@@H]2CC(=O)[O-])c1=S ZINC000825710863 604977718 /nfs/dbraw/zinc/97/77/18/604977718.db2.gz FCUXNHOQTKJRMZ-MRXNPFEDSA-N 1 2 393.557 2.525 20 30 GFEDLO C=CCn1c(CC[NH+]2CCCCC2)nn(C[N@@H+]2CCC[C@@H]2CC(=O)[O-])c1=S ZINC000825710863 604977723 /nfs/dbraw/zinc/97/77/23/604977723.db2.gz FCUXNHOQTKJRMZ-MRXNPFEDSA-N 1 2 393.557 2.525 20 30 GFEDLO C=CC[N@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1cc(C(=O)OC)ccc1F ZINC000823914974 609294817 /nfs/dbraw/zinc/29/48/17/609294817.db2.gz QINCRLFEROUJQV-UHFFFAOYSA-N 1 2 381.411 2.981 20 30 GFEDLO C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1cc(C(=O)OC)ccc1F ZINC000823914974 609294819 /nfs/dbraw/zinc/29/48/19/609294819.db2.gz QINCRLFEROUJQV-UHFFFAOYSA-N 1 2 381.411 2.981 20 30 GFEDLO COC(=O)C1(C#N)CC[NH+](CCOc2cc(F)cc(Br)c2)CC1 ZINC000831699138 660720550 /nfs/dbraw/zinc/72/05/50/660720550.db2.gz HTWGOBOHGVIZOU-UHFFFAOYSA-N 1 2 385.233 2.746 20 30 GFEDLO C[C@@]1(CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1(Cl)Cl ZINC000836585040 660917387 /nfs/dbraw/zinc/91/73/87/660917387.db2.gz LYHVJLYIARNQKK-KRWDZBQOSA-N 1 2 381.307 2.969 20 30 GFEDLO NC(=[NH+]OCc1nc(CC(F)(F)F)no1)c1ccc(Br)cc1 ZINC000782949617 657195555 /nfs/dbraw/zinc/19/55/55/657195555.db2.gz KMZFPMDMZCKEDP-UHFFFAOYSA-N 1 2 379.136 2.774 20 30 GFEDLO N#Cc1ccc(Br)c(C[N@H+]2CCc3c(CC(N)=O)cccc3C2)c1 ZINC000879233445 662921299 /nfs/dbraw/zinc/92/12/99/662921299.db2.gz YTTDGSNEGCBBDK-UHFFFAOYSA-N 1 2 384.277 2.907 20 30 GFEDLO N#Cc1ccc(Br)c(C[N@@H+]2CCc3c(CC(N)=O)cccc3C2)c1 ZINC000879233445 662921302 /nfs/dbraw/zinc/92/13/02/662921302.db2.gz YTTDGSNEGCBBDK-UHFFFAOYSA-N 1 2 384.277 2.907 20 30 GFEDLO O=C(Cc1[nH]cc[nH+]1)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000885283249 663088071 /nfs/dbraw/zinc/08/80/71/663088071.db2.gz BYJRXXINKWBNJY-BQBZGAKWSA-N 1 2 377.235 2.582 20 30 GFEDLO C[N@@H+]1CCC[C@@H]1c1cc(C(=O)NCC(F)(C(F)(F)F)C(F)(F)F)[nH]n1 ZINC000899094780 663675270 /nfs/dbraw/zinc/67/52/70/663675270.db2.gz ZGNASGDPVDXNJV-SECBINFHSA-N 1 2 376.276 2.739 20 30 GFEDLO C[N@H+]1CCC[C@@H]1c1cc(C(=O)NCC(F)(C(F)(F)F)C(F)(F)F)[nH]n1 ZINC000899094780 663675272 /nfs/dbraw/zinc/67/52/72/663675272.db2.gz ZGNASGDPVDXNJV-SECBINFHSA-N 1 2 376.276 2.739 20 30 GFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)Cc1cc(Br)ccc1OC ZINC000051471564 551163083 /nfs/dbraw/zinc/16/30/83/551163083.db2.gz CCHZGNRNTJMNMV-CYBMUJFWSA-N 1 2 382.302 2.898 20 30 GFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)Cc1cc(Br)ccc1OC ZINC000051471564 551163086 /nfs/dbraw/zinc/16/30/86/551163086.db2.gz CCHZGNRNTJMNMV-CYBMUJFWSA-N 1 2 382.302 2.898 20 30 GFEDLO C=CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000151106657 551407508 /nfs/dbraw/zinc/40/75/08/551407508.db2.gz XCVANXOTLLJFQW-GHMZBOCLSA-N 1 2 379.258 2.840 20 30 GFEDLO Cn1cc[nH+]c1C[C@H]1CCCN(S(=O)(=O)c2cc(C#N)ccc2Cl)C1 ZINC000185224489 552357473 /nfs/dbraw/zinc/35/74/73/552357473.db2.gz WABGCUCYBUWEAN-CQSZACIVSA-N 1 2 378.885 2.589 20 30 GFEDLO N#Cc1ccc(S(=O)(=O)N2CCCN(c3cccc[nH+]3)CC2)c(Cl)c1 ZINC000186111717 552379363 /nfs/dbraw/zinc/37/93/63/552379363.db2.gz LMZLVPMPFHSELU-UHFFFAOYSA-N 1 2 376.869 2.508 20 30 GFEDLO N#Cc1cc(Br)cnc1N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000296537636 563291382 /nfs/dbraw/zinc/29/13/82/563291382.db2.gz NPVDBEWWCLUFNE-UHFFFAOYSA-N 1 2 397.280 2.686 20 30 GFEDLO C[N@@H+](Cc1cc(C#N)ccc1Br)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000296837832 563304144 /nfs/dbraw/zinc/30/41/44/563304144.db2.gz SNLDLGWMRPZFDW-AWEZNQCLSA-N 1 2 398.301 2.638 20 30 GFEDLO C[N@H+](Cc1cc(C#N)ccc1Br)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000296837832 563304147 /nfs/dbraw/zinc/30/41/47/563304147.db2.gz SNLDLGWMRPZFDW-AWEZNQCLSA-N 1 2 398.301 2.638 20 30 GFEDLO Cn1c2c([nH+]c1[C@@H]1CCCN1S(=O)(=O)c1ccc(C#N)s1)CCCC2 ZINC000328805578 563465457 /nfs/dbraw/zinc/46/54/57/563465457.db2.gz LSWDJMDJKCJMFQ-HNNXBMFYSA-N 1 2 376.507 2.758 20 30 GFEDLO [O-]C(N[C@H]1COc2cc(F)c(Br)cc21)=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000328814863 563465780 /nfs/dbraw/zinc/46/57/80/563465780.db2.gz NNEVVJOKBWCKRD-RNCFNFMXSA-N 1 2 395.232 2.737 20 30 GFEDLO O=C(COc1ccsc1Cl)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000328890564 563467545 /nfs/dbraw/zinc/46/75/45/563467545.db2.gz RRSMCGHTKKYHTI-OAHLLOKOSA-N 1 2 376.931 2.945 20 30 GFEDLO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000408394905 563553574 /nfs/dbraw/zinc/55/35/74/563553574.db2.gz KWPKAPNWDGWHCG-TZMCWYRMSA-N 1 2 398.326 2.568 20 30 GFEDLO C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000408394905 563553579 /nfs/dbraw/zinc/55/35/79/563553579.db2.gz KWPKAPNWDGWHCG-TZMCWYRMSA-N 1 2 398.326 2.568 20 30 GFEDLO CC[C@H]1CN(S(=O)(=O)c2ccc(C#N)s2)CC[N@@H+]1Cc1ccccc1 ZINC000435425485 563649722 /nfs/dbraw/zinc/64/97/22/563649722.db2.gz DFZSTDGACFVBRW-INIZCTEOSA-N 1 2 375.519 2.905 20 30 GFEDLO CC[C@H]1CN(S(=O)(=O)c2ccc(C#N)s2)CC[N@H+]1Cc1ccccc1 ZINC000435425485 563649723 /nfs/dbraw/zinc/64/97/23/563649723.db2.gz DFZSTDGACFVBRW-INIZCTEOSA-N 1 2 375.519 2.905 20 30 GFEDLO C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1S(=O)(=O)c1ccc(C#N)s1 ZINC000435441362 563651225 /nfs/dbraw/zinc/65/12/25/563651225.db2.gz BNVZIMAEKORNFO-LSDHHAIUSA-N 1 2 375.519 2.903 20 30 GFEDLO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1S(=O)(=O)c1ccc(C#N)s1 ZINC000435441362 563651229 /nfs/dbraw/zinc/65/12/29/563651229.db2.gz BNVZIMAEKORNFO-LSDHHAIUSA-N 1 2 375.519 2.903 20 30 GFEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000437628719 563697517 /nfs/dbraw/zinc/69/75/17/563697517.db2.gz JPXQMMOVLWOZOF-WBMJQRKESA-N 1 2 393.285 2.877 20 30 GFEDLO C[N@H+](CCC#N)C[C@H](O)CSc1nnc(Cc2cccs2)n1C1CC1 ZINC000414095173 563718651 /nfs/dbraw/zinc/71/86/51/563718651.db2.gz JVJHOSGBGSJONC-AWEZNQCLSA-N 1 2 377.539 2.564 20 30 GFEDLO C[N@@H+](CCC#N)C[C@H](O)CSc1nnc(Cc2cccs2)n1C1CC1 ZINC000414095173 563718652 /nfs/dbraw/zinc/71/86/52/563718652.db2.gz JVJHOSGBGSJONC-AWEZNQCLSA-N 1 2 377.539 2.564 20 30 GFEDLO C[N@H+](CCC#N)C[C@@H](O)CSc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000414089751 563718874 /nfs/dbraw/zinc/71/88/74/563718874.db2.gz BFEGEOQSESWDSF-SNVBAGLBSA-N 1 2 393.822 2.700 20 30 GFEDLO C[N@@H+](CCC#N)C[C@@H](O)CSc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000414089751 563718877 /nfs/dbraw/zinc/71/88/77/563718877.db2.gz BFEGEOQSESWDSF-SNVBAGLBSA-N 1 2 393.822 2.700 20 30 GFEDLO Cc1ncc(C[NH+]2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)cn1 ZINC000509006492 564279176 /nfs/dbraw/zinc/27/91/76/564279176.db2.gz BKWZNTCMFNSROK-GOSISDBHSA-N 1 2 386.297 2.930 20 30 GFEDLO N#CC1(CS(=O)(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)CCC1 ZINC000474577470 564281517 /nfs/dbraw/zinc/28/15/17/564281517.db2.gz OAGGHESWSZXWJQ-UHFFFAOYSA-N 1 2 381.929 2.871 20 30 GFEDLO N#CC1(CS(=O)(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)CCC1 ZINC000474577470 564281520 /nfs/dbraw/zinc/28/15/20/564281520.db2.gz OAGGHESWSZXWJQ-UHFFFAOYSA-N 1 2 381.929 2.871 20 30 GFEDLO N#Cc1cc(F)c(S(=O)(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)cc1Br ZINC000451382994 564307556 /nfs/dbraw/zinc/30/75/56/564307556.db2.gz IKZKAJZHECEBJY-LBPRGKRZSA-N 1 2 399.245 2.709 20 30 GFEDLO Cc1cc(Br)cn2cc(CNS(=O)(=O)CC3(CC#N)CC3)[nH+]c12 ZINC000451395408 564308299 /nfs/dbraw/zinc/30/82/99/564308299.db2.gz NMDHTXPTKHXHTC-UHFFFAOYSA-N 1 2 397.298 2.519 20 30 GFEDLO Cn1cc[nH+]c1[C@@H](NC(=O)COc1cccc(Br)c1C#N)C1CC1 ZINC000451685582 564340484 /nfs/dbraw/zinc/34/04/84/564340484.db2.gz XPFUMZXMDVTUTD-INIZCTEOSA-N 1 2 389.253 2.701 20 30 GFEDLO C[C@@H](O)CNc1[nH+]c2ccccc2n1Cc1ccc(Br)cc1C#N ZINC000567077791 564356629 /nfs/dbraw/zinc/35/66/29/564356629.db2.gz ITEDIDGPTBTVAZ-GFCCVEGCSA-N 1 2 385.265 2.933 20 30 GFEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000451893469 564363270 /nfs/dbraw/zinc/36/32/70/564363270.db2.gz QQFDXFRBVHLGAM-GLXFQSAKSA-N 1 2 375.778 2.784 20 30 GFEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000451893469 564363272 /nfs/dbraw/zinc/36/32/72/564363272.db2.gz QQFDXFRBVHLGAM-GLXFQSAKSA-N 1 2 375.778 2.784 20 30 GFEDLO COCC[C@H](Cc1cccc(Br)c1)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000568396497 564417707 /nfs/dbraw/zinc/41/77/07/564417707.db2.gz KGVHNGPJSIULFZ-QAPCUYQASA-N 1 2 396.329 2.604 20 30 GFEDLO O=C(CCOCC(F)(F)C(F)(F)F)NCC1CC[NH+](CC(F)F)CC1 ZINC000568763882 564434584 /nfs/dbraw/zinc/43/45/84/564434584.db2.gz RUHBKIAJUUKVJK-UHFFFAOYSA-N 1 2 382.320 2.684 20 30 GFEDLO N#Cc1cc(C[NH+]2CCOCC2)cn(Cc2cc(Cl)ccc2Cl)c1=O ZINC000569046086 564446303 /nfs/dbraw/zinc/44/63/03/564446303.db2.gz QZUFXTFFHWCXCT-UHFFFAOYSA-N 1 2 378.259 2.907 20 30 GFEDLO C[C@@H]1C[C@@H](NS(=O)(=O)c2cc(Br)ccc2C#N)c2[nH+]ccn21 ZINC000571057991 564534603 /nfs/dbraw/zinc/53/46/03/564534603.db2.gz UEURHSXEXYBZHU-BXKDBHETSA-N 1 2 381.255 2.502 20 30 GFEDLO C=CCOc1c(Br)cc(C[NH2+]Cc2cnn(CC)n2)cc1OC ZINC000527733043 564758826 /nfs/dbraw/zinc/75/88/26/564758826.db2.gz DVHINSKQRJXOEO-UHFFFAOYSA-N 1 2 381.274 2.924 20 30 GFEDLO N#Cc1ccc(S(=O)(=O)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)s1 ZINC000584151038 564923176 /nfs/dbraw/zinc/92/31/76/564923176.db2.gz ZXPFQKOZLGKMDN-OAHLLOKOSA-N 1 2 393.559 2.516 20 30 GFEDLO N#Cc1ccc(S(=O)(=O)NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)s1 ZINC000584151038 564923180 /nfs/dbraw/zinc/92/31/80/564923180.db2.gz ZXPFQKOZLGKMDN-OAHLLOKOSA-N 1 2 393.559 2.516 20 30 GFEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)C1=O ZINC000499998680 564942318 /nfs/dbraw/zinc/94/23/18/564942318.db2.gz TUGQCKSDUPBQDU-MLGOLLRUSA-N 1 2 384.307 2.889 20 30 GFEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)C1=O ZINC000499998680 564942320 /nfs/dbraw/zinc/94/23/20/564942320.db2.gz TUGQCKSDUPBQDU-MLGOLLRUSA-N 1 2 384.307 2.889 20 30 GFEDLO C=C1CC[NH+]([C@H](C)C(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)CC1 ZINC000532958648 564950569 /nfs/dbraw/zinc/95/05/69/564950569.db2.gz VOYNHUSTBAUYOY-CYBMUJFWSA-N 1 2 385.917 2.569 20 30 GFEDLO C=CCOCCCNC(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000661016909 565302480 /nfs/dbraw/zinc/30/24/80/565302480.db2.gz NAGRSWWPFMGSNS-UHFFFAOYSA-N 1 2 395.301 2.840 20 30 GFEDLO N#Cc1cc(Br)ccc1CC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000593103137 565313933 /nfs/dbraw/zinc/31/39/33/565313933.db2.gz GSWKHMNARYNXCH-MRXNPFEDSA-N 1 2 385.265 2.653 20 30 GFEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000619719379 565356484 /nfs/dbraw/zinc/35/64/84/565356484.db2.gz VUSRQSGEGXYHDS-OAHLLOKOSA-N 1 2 381.270 2.827 20 30 GFEDLO N#Cc1cc(S(=O)(=O)NCc2ccc[nH+]c2N2CCCC2)ccc1Cl ZINC000594803000 565423145 /nfs/dbraw/zinc/42/31/45/565423145.db2.gz HUALUXQNIVLTRK-UHFFFAOYSA-N 1 2 376.869 2.685 20 30 GFEDLO C=CCOCCNC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000673011076 565825137 /nfs/dbraw/zinc/82/51/37/565825137.db2.gz XWHHUHUUZCCKFP-UHFFFAOYSA-N 1 2 397.273 2.653 20 30 GFEDLO Cc1nc(N2CCN(C(=O)c3c(Cl)cc(C#N)cc3Cl)CC2)cc[nH+]1 ZINC000612770930 566174545 /nfs/dbraw/zinc/17/45/45/566174545.db2.gz NAJAFRRTAZMQFS-UHFFFAOYSA-N 1 2 376.247 2.926 20 30 GFEDLO N#Cc1ccc(-c2nnc(C[NH2+]C3(c4cccc(-c5nn[nH]n5)c4)CC3)o2)cc1 ZINC000826384092 608529799 /nfs/dbraw/zinc/52/97/99/608529799.db2.gz GRJMNOYLYDRMNM-UHFFFAOYSA-N 1 2 384.403 2.567 20 30 GFEDLO COC(=O)c1sc(N2CC[NH+](Cc3ccc(C#N)cc3)CC2)nc1Cl ZINC000053550804 654748785 /nfs/dbraw/zinc/74/87/85/654748785.db2.gz FRWQHULVLWHUMS-UHFFFAOYSA-N 1 2 376.869 2.777 20 30 GFEDLO C#CCCCSc1nc2ccsc2c(=O)n1CCC[NH+]1CCOCC1 ZINC000766288414 656167638 /nfs/dbraw/zinc/16/76/38/656167638.db2.gz HJANWUFNBXOXHJ-UHFFFAOYSA-N 1 2 377.535 2.686 20 30 GFEDLO Cc1ccccc1CCNC(=O)CO[NH+]=C(N)c1ccc(Br)cc1 ZINC000782949411 657196126 /nfs/dbraw/zinc/19/61/26/657196126.db2.gz USJYNRPQHSQTOZ-UHFFFAOYSA-N 1 2 390.281 2.753 20 30 GFEDLO C[NH+]1CCN(c2ccc(NC(=O)C3(C#N)CCC3)cc2Br)CC1 ZINC000787531250 657563835 /nfs/dbraw/zinc/56/38/35/657563835.db2.gz AOWJFQOMHDOMAP-UHFFFAOYSA-N 1 2 377.286 2.833 20 30 GFEDLO C#CCCCOc1ccc[nH+]c1NCc1nn(C)cc1I ZINC000853669729 661896652 /nfs/dbraw/zinc/89/66/52/661896652.db2.gz OAGNMPUPSDKXJJ-UHFFFAOYSA-N 1 2 396.232 2.824 20 30 GFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCC[C@H]3CC3(Cl)Cl)CC2)cc1 ZINC000856887580 662049671 /nfs/dbraw/zinc/04/96/71/662049671.db2.gz BYXNQYZAKUJTOS-INIZCTEOSA-N 1 2 381.307 2.969 20 30 GFEDLO O=C1CC2(CCCCC2)CC(=O)C1=CNNc1cc(Br)nc[nH+]1 ZINC000871597005 662727305 /nfs/dbraw/zinc/72/73/05/662727305.db2.gz JFLJWOMTPINDQA-UHFFFAOYSA-N 1 2 379.258 2.922 20 30 GFEDLO C[N@@H+]1CCC[C@H]1c1cc(C(=O)N[C@@H](C#N)c2cccc(Br)c2)[nH]n1 ZINC000900464898 663714987 /nfs/dbraw/zinc/71/49/87/663714987.db2.gz TZXARPKNKBGARN-HOTGVXAUSA-N 1 2 388.269 2.934 20 30 GFEDLO C[N@H+]1CCC[C@H]1c1cc(C(=O)N[C@@H](C#N)c2cccc(Br)c2)[nH]n1 ZINC000900464898 663714988 /nfs/dbraw/zinc/71/49/88/663714988.db2.gz TZXARPKNKBGARN-HOTGVXAUSA-N 1 2 388.269 2.934 20 30 GFEDLO C[C@H]1CCN(C[N@@H+]2C[C@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)C1=O ZINC000902524171 663762546 /nfs/dbraw/zinc/76/25/46/663762546.db2.gz PDEMGDJYIGMKDB-XHNCKOQMSA-N 1 2 380.279 2.915 20 30 GFEDLO C[C@H]1CCN(C[N@H+]2C[C@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)C1=O ZINC000902524171 663762549 /nfs/dbraw/zinc/76/25/49/663762549.db2.gz PDEMGDJYIGMKDB-XHNCKOQMSA-N 1 2 380.279 2.915 20 30 GFEDLO Cc1c(Cl)cccc1N[NH+]=Cc1c(Cl)nc(N)nc1N1CCOCC1 ZINC000915051361 664419788 /nfs/dbraw/zinc/41/97/88/664419788.db2.gz QRBWCYIYMAZHEJ-UHFFFAOYSA-N 1 2 381.267 2.957 20 30 GFEDLO COC(=O)c1ccsc1N1CC[C@H]([N@H+](C)Cc2cc(C#N)cs2)C1=O ZINC000933778571 664877914 /nfs/dbraw/zinc/87/79/14/664877914.db2.gz RIZWEWUKDISEKH-AWEZNQCLSA-N 1 2 375.475 2.705 20 30 GFEDLO COC(=O)c1ccsc1N1CC[C@H]([N@@H+](C)Cc2cc(C#N)cs2)C1=O ZINC000933778571 664877915 /nfs/dbraw/zinc/87/79/15/664877915.db2.gz RIZWEWUKDISEKH-AWEZNQCLSA-N 1 2 375.475 2.705 20 30 GFEDLO C=CC[N@@H+](Cc1ccc(OC(F)F)c(OCC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361636 551194538 /nfs/dbraw/zinc/19/45/38/551194538.db2.gz WUXYTXRBTSRNJR-CQSZACIVSA-N 1 2 375.437 2.862 20 30 GFEDLO C=CC[N@H+](Cc1ccc(OC(F)F)c(OCC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361636 551194540 /nfs/dbraw/zinc/19/45/40/551194540.db2.gz WUXYTXRBTSRNJR-CQSZACIVSA-N 1 2 375.437 2.862 20 30 GFEDLO Cn1cc(Br)cc1C[N@H+](C)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000151545529 551415919 /nfs/dbraw/zinc/41/59/19/551415919.db2.gz JDXUUDUKYWNXGT-AWEZNQCLSA-N 1 2 393.310 2.958 20 30 GFEDLO Cn1cc(Br)cc1C[N@@H+](C)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000151545529 551415922 /nfs/dbraw/zinc/41/59/22/551415922.db2.gz JDXUUDUKYWNXGT-AWEZNQCLSA-N 1 2 393.310 2.958 20 30 GFEDLO N#Cc1ccc(Cl)c(S(=O)(=O)NC2CCN(c3cccc[nH+]3)CC2)c1 ZINC000186284968 552383890 /nfs/dbraw/zinc/38/38/90/552383890.db2.gz GYFXWKGMLAWMEH-UHFFFAOYSA-N 1 2 376.869 2.554 20 30 GFEDLO C=CCNC(=O)C[NH2+][C@@H](C)c1cc(Br)cc(Br)c1O ZINC000186377646 552386495 /nfs/dbraw/zinc/38/64/95/552386495.db2.gz KQNWUJIPSMSLHP-QMMMGPOBSA-N 1 2 392.091 2.870 20 30 GFEDLO C=CCNC(=O)[C@H](C)[N@H+](C)Cc1cccc(Br)c1OCC(C)(C)O ZINC000191350243 552525843 /nfs/dbraw/zinc/52/58/43/552525843.db2.gz AKNPZSKOEBXHEJ-ZDUSSCGKSA-N 1 2 399.329 2.721 20 30 GFEDLO C=CCNC(=O)[C@H](C)[N@@H+](C)Cc1cccc(Br)c1OCC(C)(C)O ZINC000191350243 552525845 /nfs/dbraw/zinc/52/58/45/552525845.db2.gz AKNPZSKOEBXHEJ-ZDUSSCGKSA-N 1 2 399.329 2.721 20 30 GFEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)cc1Cl ZINC000277785081 563226195 /nfs/dbraw/zinc/22/61/95/563226195.db2.gz OEZIYVBKKMVOQW-IAQYHMDHSA-N 1 2 375.778 2.785 20 30 GFEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)cc1Cl ZINC000277785081 563226197 /nfs/dbraw/zinc/22/61/97/563226197.db2.gz OEZIYVBKKMVOQW-IAQYHMDHSA-N 1 2 375.778 2.785 20 30 GFEDLO Cc1cc(N2CCN(C(=O)c3ccc(Br)cc3)CC2)c(C#N)c[nH+]1 ZINC000425229641 563413251 /nfs/dbraw/zinc/41/32/51/563413251.db2.gz ROBLMALLAWVSFL-UHFFFAOYSA-N 1 2 385.265 2.987 20 30 GFEDLO C[C@@H]1CC[S@@](=O)CC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000375933153 563424231 /nfs/dbraw/zinc/42/42/31/563424231.db2.gz NYYOWHMBLUAARM-YMXBGEKHSA-N 1 2 379.551 2.670 20 30 GFEDLO C[C@@H]1CC[S@@](=O)CC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000375933153 563424234 /nfs/dbraw/zinc/42/42/34/563424234.db2.gz NYYOWHMBLUAARM-YMXBGEKHSA-N 1 2 379.551 2.670 20 30 GFEDLO Cn1cc[nH+]c1[C@@H]1CN(C(=O)NCc2ccc(Br)s2)CCN1C ZINC000330000615 563493286 /nfs/dbraw/zinc/49/32/86/563493286.db2.gz WTFIMJVTAKXJDQ-LBPRGKRZSA-N 1 2 398.330 2.647 20 30 GFEDLO Cn1cc[nH+]c1[C@H]1CN(C(=O)NCc2ccc(Br)s2)CCN1C ZINC000330000614 563493373 /nfs/dbraw/zinc/49/33/73/563493373.db2.gz WTFIMJVTAKXJDQ-GFCCVEGCSA-N 1 2 398.330 2.647 20 30 GFEDLO Cc1cc(Br)cn2cc(CNC(=O)N3CCO[C@@H](C4CC4)C3)[nH+]c12 ZINC000330170114 563497632 /nfs/dbraw/zinc/49/76/32/563497632.db2.gz DNCHNCVRIRHNGY-OAHLLOKOSA-N 1 2 393.285 2.930 20 30 GFEDLO CC[C@@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C[C@H](C)[S@@]1=O ZINC000285864162 563540688 /nfs/dbraw/zinc/54/06/88/563540688.db2.gz IQQRWXCMWQXIQK-YGCGCYASSA-N 1 2 379.551 2.668 20 30 GFEDLO CC[C@@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C[C@H](C)[S@@]1=O ZINC000285864162 563540689 /nfs/dbraw/zinc/54/06/89/563540689.db2.gz IQQRWXCMWQXIQK-YGCGCYASSA-N 1 2 379.551 2.668 20 30 GFEDLO CO[C@H]1C[C@@H](C(=O)N2CCCC2)[N@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000331389328 563547812 /nfs/dbraw/zinc/54/78/12/563547812.db2.gz DHWAGGJDOAPDPR-RDJZCZTQSA-N 1 2 392.297 2.532 20 30 GFEDLO CO[C@H]1C[C@@H](C(=O)N2CCCC2)[N@@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000331389328 563547814 /nfs/dbraw/zinc/54/78/14/563547814.db2.gz DHWAGGJDOAPDPR-RDJZCZTQSA-N 1 2 392.297 2.532 20 30 GFEDLO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000408394895 563553713 /nfs/dbraw/zinc/55/37/13/563553713.db2.gz KWPKAPNWDGWHCG-GXTWGEPZSA-N 1 2 398.326 2.568 20 30 GFEDLO C[C@H]1C[N@H+]2CCCC[C@@H]2CN1S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000408394895 563553715 /nfs/dbraw/zinc/55/37/15/563553715.db2.gz KWPKAPNWDGWHCG-GXTWGEPZSA-N 1 2 398.326 2.568 20 30 GFEDLO Cc1sc(NC(=O)C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)c(C#N)c1C ZINC000286369679 563557589 /nfs/dbraw/zinc/55/75/89/563557589.db2.gz GFBLZWFRTDAHGD-YPMHNXCESA-N 1 2 375.416 2.668 20 30 GFEDLO Cc1sc(NC(=O)C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)c(C#N)c1C ZINC000286369679 563557591 /nfs/dbraw/zinc/55/75/91/563557591.db2.gz GFBLZWFRTDAHGD-YPMHNXCESA-N 1 2 375.416 2.668 20 30 GFEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000286727174 563573113 /nfs/dbraw/zinc/57/31/13/563573113.db2.gz XMVCDZKVZZCJAH-WCQYABFASA-N 1 2 375.778 2.643 20 30 GFEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000286727174 563573116 /nfs/dbraw/zinc/57/31/16/563573116.db2.gz XMVCDZKVZZCJAH-WCQYABFASA-N 1 2 375.778 2.643 20 30 GFEDLO Cc1cc(C[NH+]2CCN(Cc3ccc(Br)cc3C#N)CC2)on1 ZINC000287320690 563596373 /nfs/dbraw/zinc/59/63/73/563596373.db2.gz NNELFYKCFHQILM-UHFFFAOYSA-N 1 2 375.270 2.935 20 30 GFEDLO C[C@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)c1ncc(Br)cn1 ZINC000433004724 563600137 /nfs/dbraw/zinc/60/01/37/563600137.db2.gz GTMKDLJPEVXOHP-ZDUSSCGKSA-N 1 2 388.269 2.837 20 30 GFEDLO C[C@@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)c1ncc(Br)cn1 ZINC000433004723 563600298 /nfs/dbraw/zinc/60/02/98/563600298.db2.gz GTMKDLJPEVXOHP-CYBMUJFWSA-N 1 2 388.269 2.837 20 30 GFEDLO N#Cc1c(Br)cccc1S(=O)(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000288077390 563628036 /nfs/dbraw/zinc/62/80/36/563628036.db2.gz JSRUZLZDERJYNO-NSHDSACASA-N 1 2 395.282 2.612 20 30 GFEDLO N#Cc1c(Cl)cccc1S(=O)(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000443097439 563792011 /nfs/dbraw/zinc/79/20/11/563792011.db2.gz UZUFRPGNOLFEAM-HNNXBMFYSA-N 1 2 379.869 2.920 20 30 GFEDLO Cc1cc(Br)cn2cc(CNC(=O)c3ccc(C#N)c(O)c3)[nH+]c12 ZINC000443106920 563792824 /nfs/dbraw/zinc/79/28/24/563792824.db2.gz FSXDVJBBJGKWFV-UHFFFAOYSA-N 1 2 385.221 2.913 20 30 GFEDLO Cn1cc[nH+]c1C[C@@H]1CCCN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)C1 ZINC000366207813 563801030 /nfs/dbraw/zinc/80/10/30/563801030.db2.gz DEESOUZYNNBRHF-ZDUSSCGKSA-N 1 2 378.885 2.589 20 30 GFEDLO C=C(C)CS(=O)(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000416641635 563856501 /nfs/dbraw/zinc/85/65/01/563856501.db2.gz DVSFGJZTBQKDNZ-UHFFFAOYSA-N 1 2 387.343 2.909 20 30 GFEDLO N#Cc1cccc(C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)c1Br ZINC000448948727 563903804 /nfs/dbraw/zinc/90/38/04/563903804.db2.gz FPUGDQALQIUBGS-HNNXBMFYSA-N 1 2 392.297 2.648 20 30 GFEDLO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@H+](C)CC(C)(C)C#N ZINC000449341324 564182445 /nfs/dbraw/zinc/18/24/45/564182445.db2.gz SZZGBJCHZZJMIQ-LBPRGKRZSA-N 1 2 382.302 2.944 20 30 GFEDLO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@@H+](C)CC(C)(C)C#N ZINC000449341324 564182449 /nfs/dbraw/zinc/18/24/49/564182449.db2.gz SZZGBJCHZZJMIQ-LBPRGKRZSA-N 1 2 382.302 2.944 20 30 GFEDLO Cc1nn(C)c(N2CC[NH+](Cc3cc(Br)cs3)CC2)c1C#N ZINC000471815793 564204835 /nfs/dbraw/zinc/20/48/35/564204835.db2.gz LBDUNEAUTPKXPG-UHFFFAOYSA-N 1 2 380.315 2.746 20 30 GFEDLO CCN1CCN(C(=O)c2ccc(Br)cc2C#N)C[C@H]1c1[nH]cc[nH+]1 ZINC000451122878 564277588 /nfs/dbraw/zinc/27/75/88/564277588.db2.gz ATLNCZCQUJRLCY-HNNXBMFYSA-N 1 2 388.269 2.563 20 30 GFEDLO CC[C@H](C)[NH+]1CCN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000451975636 564375082 /nfs/dbraw/zinc/37/50/82/564375082.db2.gz WCRJYFGAEUDMNV-LBPRGKRZSA-N 1 2 375.416 2.682 20 30 GFEDLO C=C(C)C[N@H+](CC(=O)Nc1ccc(Br)cn1)Cc1ccc(CO)o1 ZINC000512217608 564396240 /nfs/dbraw/zinc/39/62/40/564396240.db2.gz GVTFTFLGAUSOOC-UHFFFAOYSA-N 1 2 394.269 2.946 20 30 GFEDLO C=C(C)C[N@@H+](CC(=O)Nc1ccc(Br)cn1)Cc1ccc(CO)o1 ZINC000512217608 564396244 /nfs/dbraw/zinc/39/62/44/564396244.db2.gz GVTFTFLGAUSOOC-UHFFFAOYSA-N 1 2 394.269 2.946 20 30 GFEDLO C=CCN(CCOC)C(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000479753998 564449482 /nfs/dbraw/zinc/44/94/82/564449482.db2.gz LVWNLQVRNXOBTJ-UHFFFAOYSA-N 1 2 395.301 2.792 20 30 GFEDLO N#Cc1ccncc1N1CC[NH+](Cc2cc(Br)cc3c2OCC3)CC1 ZINC000569305862 564457882 /nfs/dbraw/zinc/45/78/82/564457882.db2.gz LLBNZTPTTASVCK-UHFFFAOYSA-N 1 2 399.292 2.973 20 30 GFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cc(Br)sc1Br ZINC000569461257 564464945 /nfs/dbraw/zinc/46/49/45/564464945.db2.gz NZQWURRUYBFHGO-LLVKDONJSA-N 1 2 395.120 2.847 20 30 GFEDLO N#Cc1cc(C[NH+]2CCOCC2)cn(Cc2cc(Cl)sc2Cl)c1=O ZINC000569988369 564486760 /nfs/dbraw/zinc/48/67/60/564486760.db2.gz JGDCNDXSVQEKGQ-UHFFFAOYSA-N 1 2 384.288 2.969 20 30 GFEDLO C[C@@H]1C[C@@H](NC(=O)COc2ccc(C#N)c(Br)c2)c2[nH+]ccn21 ZINC000518324512 564550544 /nfs/dbraw/zinc/55/05/44/564550544.db2.gz ZHGIJPDTITVYRV-QMTHXVAHSA-N 1 2 375.226 2.718 20 30 GFEDLO C[C@@H](CNS(=O)(=O)c1ccc(C#N)c(Cl)c1)[N@@H+]1CCc2sccc2C1 ZINC000519166974 564571350 /nfs/dbraw/zinc/57/13/50/564571350.db2.gz ZHELQLQPSYOHDS-LBPRGKRZSA-N 1 2 395.937 2.998 20 30 GFEDLO C[C@@H](CNS(=O)(=O)c1ccc(C#N)c(Cl)c1)[N@H+]1CCc2sccc2C1 ZINC000519166974 564571354 /nfs/dbraw/zinc/57/13/54/564571354.db2.gz ZHELQLQPSYOHDS-LBPRGKRZSA-N 1 2 395.937 2.998 20 30 GFEDLO C=CCN(CC=C)C(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000455959091 564581252 /nfs/dbraw/zinc/58/12/52/564581252.db2.gz UAXBHALFOYMBSM-UHFFFAOYSA-N 1 2 381.274 2.887 20 30 GFEDLO C=CCOCC[NH+]1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000555300496 564789027 /nfs/dbraw/zinc/78/90/27/564789027.db2.gz KZXVARYGUCQLJJ-UHFFFAOYSA-N 1 2 379.309 2.502 20 30 GFEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3ncc(Br)cc3F)C2)nc1 ZINC000529574981 564843235 /nfs/dbraw/zinc/84/32/35/564843235.db2.gz HDZBCNMGBRMFLF-ZDUSSCGKSA-N 1 2 377.217 2.903 20 30 GFEDLO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3ncc(Br)cc3F)C2)nc1 ZINC000529574981 564843237 /nfs/dbraw/zinc/84/32/37/564843237.db2.gz HDZBCNMGBRMFLF-ZDUSSCGKSA-N 1 2 377.217 2.903 20 30 GFEDLO CS(=O)(=O)c1cc(C[NH2+]Cc2nc(C#N)cs2)cc(C(F)(F)F)c1 ZINC000558490649 564904464 /nfs/dbraw/zinc/90/44/64/564904464.db2.gz ARRWRCAKOLDGEA-UHFFFAOYSA-N 1 2 375.397 2.727 20 30 GFEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)C1=O ZINC000499994256 564942242 /nfs/dbraw/zinc/94/22/42/564942242.db2.gz FFPRMFWJVJBWFY-INIZCTEOSA-N 1 2 384.307 2.671 20 30 GFEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)C1=O ZINC000499994256 564942244 /nfs/dbraw/zinc/94/22/44/564942244.db2.gz FFPRMFWJVJBWFY-INIZCTEOSA-N 1 2 384.307 2.671 20 30 GFEDLO C[NH+](C)Cc1ccc(NS(=O)(=O)c2ccc(C#N)nc2)cc1Br ZINC000466957583 564951110 /nfs/dbraw/zinc/95/11/10/564951110.db2.gz JQBWJYDKNURDAI-UHFFFAOYSA-N 1 2 395.282 2.578 20 30 GFEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCSC[C@H]1CCO ZINC000470218256 565041464 /nfs/dbraw/zinc/04/14/64/565041464.db2.gz CYGRQMWVTUBBCS-LSDHHAIUSA-N 1 2 379.551 2.677 20 30 GFEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCSC[C@H]1CCO ZINC000470218256 565041467 /nfs/dbraw/zinc/04/14/67/565041467.db2.gz CYGRQMWVTUBBCS-LSDHHAIUSA-N 1 2 379.551 2.677 20 30 GFEDLO NS(=O)(=O)c1cc(C[NH+]2C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C2)ccc1F ZINC000638158557 565187843 /nfs/dbraw/zinc/18/78/43/565187843.db2.gz JZXGBTPPRIGTOY-RKDXNWHRSA-N 1 2 394.312 2.646 20 30 GFEDLO C[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccsc2C#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000593568454 565343070 /nfs/dbraw/zinc/34/30/70/565343070.db2.gz HSMWORKVCMAWII-CJNGLKHVSA-N 1 2 383.445 2.622 20 30 GFEDLO CC[NH+](CC)Cc1csc(NS(=O)(=O)c2ccc(C#N)cc2OC)n1 ZINC000594582654 565401947 /nfs/dbraw/zinc/40/19/47/565401947.db2.gz RLAUFMZSWXBHQX-UHFFFAOYSA-N 1 2 380.495 2.666 20 30 GFEDLO N#Cc1ccc(Cl)c(S(=O)(=O)NCc2ccc[nH+]c2N2CCCC2)c1 ZINC000594802772 565423079 /nfs/dbraw/zinc/42/30/79/565423079.db2.gz BRSJBEIWEDAPAP-UHFFFAOYSA-N 1 2 376.869 2.685 20 30 GFEDLO N#CC[C@@H]1CCC[N@@H+](CC(=O)Nc2cccc(I)c2)C1 ZINC000595613892 565485682 /nfs/dbraw/zinc/48/56/82/565485682.db2.gz FPTWLHHDQZKPAU-LBPRGKRZSA-N 1 2 383.233 2.855 20 30 GFEDLO N#CC[C@@H]1CCC[N@H+](CC(=O)Nc2cccc(I)c2)C1 ZINC000595613892 565485684 /nfs/dbraw/zinc/48/56/84/565485684.db2.gz FPTWLHHDQZKPAU-LBPRGKRZSA-N 1 2 383.233 2.855 20 30 GFEDLO N#Cc1sccc1N1CC[NH+](C[C@@H](O)COc2ccc(Cl)cc2)CC1 ZINC000595632858 565486497 /nfs/dbraw/zinc/48/64/97/565486497.db2.gz KDWHGRWMFWYBBY-OAHLLOKOSA-N 1 2 377.897 2.835 20 30 GFEDLO COC(=O)C[N@@H+](Cc1cccc(Br)c1)C[C@H](O)CC(C)(C)C#N ZINC000598614820 565630804 /nfs/dbraw/zinc/63/08/04/565630804.db2.gz DOAADOMBYPZKFO-OAHLLOKOSA-N 1 2 383.286 2.725 20 30 GFEDLO COC(=O)C[N@H+](Cc1cccc(Br)c1)C[C@H](O)CC(C)(C)C#N ZINC000598614820 565630809 /nfs/dbraw/zinc/63/08/09/565630809.db2.gz DOAADOMBYPZKFO-OAHLLOKOSA-N 1 2 383.286 2.725 20 30 GFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cc(Br)cc(N2CCCC2)c1 ZINC000598837907 565644945 /nfs/dbraw/zinc/64/49/45/565644945.db2.gz ZXZZDBIOVOSUEL-QGZVFWFLSA-N 1 2 379.302 2.623 20 30 GFEDLO C=CCOc1c(Br)cc(C[N@H+](C)Cc2cn(C)nn2)cc1OC ZINC000668607123 565657355 /nfs/dbraw/zinc/65/73/55/565657355.db2.gz VQBHYPIDITZDEM-UHFFFAOYSA-N 1 2 381.274 2.783 20 30 GFEDLO C=CCOc1c(Br)cc(C[N@@H+](C)Cc2cn(C)nn2)cc1OC ZINC000668607123 565657358 /nfs/dbraw/zinc/65/73/58/565657358.db2.gz VQBHYPIDITZDEM-UHFFFAOYSA-N 1 2 381.274 2.783 20 30 GFEDLO CN(C)S(=O)(=O)c1ccc(C[N@@H+]2CCc3c(CC#N)cccc3C2)s1 ZINC000599679065 565696294 /nfs/dbraw/zinc/69/62/94/565696294.db2.gz VIODQCVKXRQFGV-UHFFFAOYSA-N 1 2 375.519 2.623 20 30 GFEDLO CN(C)S(=O)(=O)c1ccc(C[N@H+]2CCc3c(CC#N)cccc3C2)s1 ZINC000599679065 565696297 /nfs/dbraw/zinc/69/62/97/565696297.db2.gz VIODQCVKXRQFGV-UHFFFAOYSA-N 1 2 375.519 2.623 20 30 GFEDLO C[C@@H]1C[N@@H+](CC(=O)NCCc2cccc(Cl)c2Cl)C[C@H](C)N1CC#N ZINC000602865455 565871585 /nfs/dbraw/zinc/87/15/85/565871585.db2.gz TUCPHPRHLNWIHX-OKILXGFUSA-N 1 2 383.323 2.570 20 30 GFEDLO C[C@@H]1C[N@H+](CC(=O)NCCc2cccc(Cl)c2Cl)C[C@H](C)N1CC#N ZINC000602865455 565871594 /nfs/dbraw/zinc/87/15/94/565871594.db2.gz TUCPHPRHLNWIHX-OKILXGFUSA-N 1 2 383.323 2.570 20 30 GFEDLO C[C@H](NC(=O)C[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1)c1ccc(Br)cc1 ZINC000602857738 565871756 /nfs/dbraw/zinc/87/17/56/565871756.db2.gz UONSLOGGKHUJMR-KFWWJZLASA-N 1 2 393.329 2.544 20 30 GFEDLO C[N@H+](CCOc1ccc(Br)cc1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000609671166 566049354 /nfs/dbraw/zinc/04/93/54/566049354.db2.gz FWSOKXYFHXFXMI-KRWDZBQOSA-N 1 2 388.265 2.858 20 30 GFEDLO C[N@@H+](CCOc1ccc(Br)cc1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000609671166 566049359 /nfs/dbraw/zinc/04/93/59/566049359.db2.gz FWSOKXYFHXFXMI-KRWDZBQOSA-N 1 2 388.265 2.858 20 30 GFEDLO C=CC[N@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1ccc(C(=O)OC)cc1F ZINC000823915540 607983008 /nfs/dbraw/zinc/98/30/08/607983008.db2.gz ZOQZAUCDFFLYJN-UHFFFAOYSA-N 1 2 381.411 2.981 20 30 GFEDLO C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1ccc(C(=O)OC)cc1F ZINC000823915540 607983009 /nfs/dbraw/zinc/98/30/09/607983009.db2.gz ZOQZAUCDFFLYJN-UHFFFAOYSA-N 1 2 381.411 2.981 20 30 GFEDLO CCN(CC)S(=O)(=O)c1ccc(N[NH2+]C=C2CC2(F)F)c([N+](=O)[O-])c1 ZINC000834915900 660837739 /nfs/dbraw/zinc/83/77/39/660837739.db2.gz QAPLDAKPCCNQKO-JTQLQIEISA-N 1 2 376.385 2.678 20 30 GFEDLO C[C@@H](C(=O)Nc1cccc(I)c1)[NH+]1CCC(C#N)CC1 ZINC000057877623 654811340 /nfs/dbraw/zinc/81/13/40/654811340.db2.gz AYAWRHVWZRBGIV-NSHDSACASA-N 1 2 383.233 2.854 20 30 GFEDLO COc1nc(N2CC[NH+](Cc3cc(C#N)cs3)CC2)ncc1Br ZINC000093079428 655017348 /nfs/dbraw/zinc/01/73/48/655017348.db2.gz XWVOTIVCCICPKX-UHFFFAOYSA-N 1 2 394.298 2.503 20 30 GFEDLO NC(=[NH+]OCC(=O)N1CCc2sccc2C1)c1ccc(Br)cc1 ZINC000782949337 657195787 /nfs/dbraw/zinc/19/57/87/657195787.db2.gz UEYVLSWCNPCTAT-UHFFFAOYSA-N 1 2 394.294 2.732 20 30 GFEDLO Cc1noc(C)c1C[NH+]1CCN(c2cc(Br)cnc2C#N)CC1 ZINC000787892735 657617448 /nfs/dbraw/zinc/61/74/48/657617448.db2.gz RUUWOINXUKLCRH-UHFFFAOYSA-N 1 2 376.258 2.643 20 30 GFEDLO C[C@]12CC[N@@H+]([C@@H]3CC(=O)N(c4ccc(C#N)cc4)C3=O)C[C@H]1C2(Cl)Cl ZINC000790587101 657999933 /nfs/dbraw/zinc/99/99/33/657999933.db2.gz PUPCSLIMZVPRJN-CPUCHLNUSA-N 1 2 378.259 2.706 20 30 GFEDLO C[C@]12CC[N@H+]([C@@H]3CC(=O)N(c4ccc(C#N)cc4)C3=O)C[C@H]1C2(Cl)Cl ZINC000790587101 657999938 /nfs/dbraw/zinc/99/99/38/657999938.db2.gz PUPCSLIMZVPRJN-CPUCHLNUSA-N 1 2 378.259 2.706 20 30 GFEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC[C@@](CO)(C(F)(F)F)C1 ZINC000886802913 663119264 /nfs/dbraw/zinc/11/92/64/663119264.db2.gz AXPHFTUXHRXJCI-ZUZCIYMTSA-N 1 2 375.778 2.785 20 30 GFEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@@](CO)(C(F)(F)F)C1 ZINC000886802913 663119267 /nfs/dbraw/zinc/11/92/67/663119267.db2.gz AXPHFTUXHRXJCI-ZUZCIYMTSA-N 1 2 375.778 2.785 20 30 GFEDLO Cc1nn(C)c(C[N@@H+]2CCC[C@H](Nc3ccc(C#N)cn3)C2)c1Br ZINC000896654777 663569953 /nfs/dbraw/zinc/56/99/53/663569953.db2.gz SGEAEASWRJXSPP-AWEZNQCLSA-N 1 2 389.301 2.834 20 30 GFEDLO Cc1nn(C)c(C[N@H+]2CCC[C@H](Nc3ccc(C#N)cn3)C2)c1Br ZINC000896654777 663569955 /nfs/dbraw/zinc/56/99/55/663569955.db2.gz SGEAEASWRJXSPP-AWEZNQCLSA-N 1 2 389.301 2.834 20 30 GFEDLO O=C1C=COC2(CC[NH+](Cc3cn4ccc(Br)cc4n3)CC2)C1 ZINC000897599100 663613175 /nfs/dbraw/zinc/61/31/75/663613175.db2.gz AUDZDWXGLQKPCM-UHFFFAOYSA-N 1 2 376.254 2.935 20 30 GFEDLO C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCC[N@H+](CCF)C1 ZINC000898508126 663653301 /nfs/dbraw/zinc/65/33/01/663653301.db2.gz ZDFSLQQEVPJXBT-KBPBESRZSA-N 1 2 377.888 2.572 20 30 GFEDLO C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCC[N@@H+](CCF)C1 ZINC000898508126 663653304 /nfs/dbraw/zinc/65/33/04/663653304.db2.gz ZDFSLQQEVPJXBT-KBPBESRZSA-N 1 2 377.888 2.572 20 30 GFEDLO C=CCOC(=O)[C@@H]([NH3+])Cc1nc(-c2cc(C)c(Br)c(C)c2)no1 ZINC000904111598 663824775 /nfs/dbraw/zinc/82/47/75/663824775.db2.gz GVZXLXWYQCVQKD-LBPRGKRZSA-N 1 2 380.242 2.715 20 30 GFEDLO Cc1nnc(CC[NH+]2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)o1 ZINC000930150550 664763688 /nfs/dbraw/zinc/76/36/88/664763688.db2.gz MTFQWECEJFMSIX-MRXNPFEDSA-N 1 2 390.285 2.566 20 30 GFEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@H](Cc3nccs3)C2)cc1 ZINC000932195282 664812821 /nfs/dbraw/zinc/81/28/21/664812821.db2.gz AIFLVXCOBBUAFM-MRXNPFEDSA-N 1 2 375.519 2.743 20 30 GFEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@H](Cc3nccs3)C2)cc1 ZINC000932195282 664812822 /nfs/dbraw/zinc/81/28/22/664812822.db2.gz AIFLVXCOBBUAFM-MRXNPFEDSA-N 1 2 375.519 2.743 20 30 GFEDLO C#CC[N@H+]1CCC[C@H](NC(=O)Nc2cc(C(C)=O)ccc2Br)C1 ZINC000932221201 664814776 /nfs/dbraw/zinc/81/47/76/664814776.db2.gz QQVMRZYWQKOSAV-AWEZNQCLSA-N 1 2 378.270 2.871 20 30 GFEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)Nc2cc(C(C)=O)ccc2Br)C1 ZINC000932221201 664814777 /nfs/dbraw/zinc/81/47/77/664814777.db2.gz QQVMRZYWQKOSAV-AWEZNQCLSA-N 1 2 378.270 2.871 20 30 GFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)Cc1cc(Br)ccc1OC ZINC000051471563 551163373 /nfs/dbraw/zinc/16/33/73/551163373.db2.gz CCHZGNRNTJMNMV-ZDUSSCGKSA-N 1 2 382.302 2.898 20 30 GFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)Cc1cc(Br)ccc1OC ZINC000051471563 551163374 /nfs/dbraw/zinc/16/33/74/551163374.db2.gz CCHZGNRNTJMNMV-ZDUSSCGKSA-N 1 2 382.302 2.898 20 30 GFEDLO C=CCC[C@H](O)C[NH+]1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000121010851 551225138 /nfs/dbraw/zinc/22/51/38/551225138.db2.gz VVVQNCWPVGBLJW-AWEZNQCLSA-N 1 2 393.336 2.627 20 30 GFEDLO N#C[C@H](c1ccc(Br)cc1)N1CC[NH+](C[C@@H](O)C(F)(F)F)CC1 ZINC000121873660 551244899 /nfs/dbraw/zinc/24/48/99/551244899.db2.gz RAROIKPYRFJSFW-ZIAGYGMSSA-N 1 2 392.219 2.555 20 30 GFEDLO CCc1ccc(C[NH+]2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)s1 ZINC000172606457 551682903 /nfs/dbraw/zinc/68/29/03/551682903.db2.gz OEIVCZSWRMDFRT-UHFFFAOYSA-N 1 2 375.519 2.689 20 30 GFEDLO CCCc1ccc(S(=O)(=O)N2CC[NH+](CCCSCC#N)CC2)cc1 ZINC000173858715 552094565 /nfs/dbraw/zinc/09/45/65/552094565.db2.gz HRAKROFRWQNAAY-UHFFFAOYSA-N 1 2 381.567 2.592 20 30 GFEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2C(=O)N2CCOCC2)c(Br)c1 ZINC000181071103 552245547 /nfs/dbraw/zinc/24/55/47/552245547.db2.gz MXEKVUHAHRHQIE-QGZVFWFLSA-N 1 2 392.297 2.534 20 30 GFEDLO N#Cc1ccc(C[N@H+]2CCCC[C@@H]2C(=O)N2CCOCC2)c(Br)c1 ZINC000181071103 552245548 /nfs/dbraw/zinc/24/55/48/552245548.db2.gz MXEKVUHAHRHQIE-QGZVFWFLSA-N 1 2 392.297 2.534 20 30 GFEDLO N#Cc1ccc(Cl)c(S(=O)(=O)N2CCCN(c3cccc[nH+]3)CC2)c1 ZINC000185851604 552372191 /nfs/dbraw/zinc/37/21/91/552372191.db2.gz NTXMUTBNFNUPLS-UHFFFAOYSA-N 1 2 376.869 2.508 20 30 GFEDLO N#Cc1ccc(Cl)c(S(=O)(=O)NCc2cc[nH+]c(N3CCCC3)c2)c1 ZINC000186232610 552382929 /nfs/dbraw/zinc/38/29/29/552382929.db2.gz CLOSHVUDLTXVGD-UHFFFAOYSA-N 1 2 376.869 2.685 20 30 GFEDLO C=CC[N@@H+](CCOC)CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)OC ZINC000191110855 552518990 /nfs/dbraw/zinc/51/89/90/552518990.db2.gz PWBUJQVBOXRXGV-UHFFFAOYSA-N 1 2 375.252 2.853 20 30 GFEDLO C=CC[N@H+](CCOC)CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)OC ZINC000191110855 552518992 /nfs/dbraw/zinc/51/89/92/552518992.db2.gz PWBUJQVBOXRXGV-UHFFFAOYSA-N 1 2 375.252 2.853 20 30 GFEDLO N#Cc1ccc(Br)c(C[N@@H+]2CCCC[C@H]2C(=O)N2CCOCC2)c1 ZINC000191781956 552537823 /nfs/dbraw/zinc/53/78/23/552537823.db2.gz OJMGBWKSZMYSLI-KRWDZBQOSA-N 1 2 392.297 2.534 20 30 GFEDLO N#Cc1ccc(Br)c(C[N@H+]2CCCC[C@H]2C(=O)N2CCOCC2)c1 ZINC000191781956 552537824 /nfs/dbraw/zinc/53/78/24/552537824.db2.gz OJMGBWKSZMYSLI-KRWDZBQOSA-N 1 2 392.297 2.534 20 30 GFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCCC[C@H](S(C)(=O)=O)C1 ZINC000277693551 563221246 /nfs/dbraw/zinc/22/12/46/563221246.db2.gz HGMDGUDEYWRYTC-RDJZCZTQSA-N 1 2 384.567 2.550 20 30 GFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCCC[C@H](S(C)(=O)=O)C1 ZINC000277693551 563221248 /nfs/dbraw/zinc/22/12/48/563221248.db2.gz HGMDGUDEYWRYTC-RDJZCZTQSA-N 1 2 384.567 2.550 20 30 GFEDLO C=CC[N@@H+](Cc1ccc(N(C)C)cc1C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000279735654 563308233 /nfs/dbraw/zinc/30/82/33/563308233.db2.gz WLWGTRLNSWYKTE-OAHLLOKOSA-N 1 2 376.444 2.947 20 30 GFEDLO C=CC[N@H+](Cc1ccc(N(C)C)cc1C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000279735654 563308235 /nfs/dbraw/zinc/30/82/35/563308235.db2.gz WLWGTRLNSWYKTE-OAHLLOKOSA-N 1 2 376.444 2.947 20 30 GFEDLO C[C@@H](CNC(=O)Cc1cn2cc(Cl)cc(Cl)c2n1)[NH+]1CCN(C)CC1 ZINC000329479244 563481227 /nfs/dbraw/zinc/48/12/27/563481227.db2.gz QJHPKTMMYHLUGB-LBPRGKRZSA-N 1 2 384.311 2.776 20 30 GFEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1nc2cc(Br)ccc2o1 ZINC000286403741 563558778 /nfs/dbraw/zinc/55/87/78/563558778.db2.gz LMZNYGKTPQPGGL-UHFFFAOYSA-N 1 2 393.285 2.638 20 30 GFEDLO N#Cc1ccc([C@H]([NH2+][C@H]2CCOc3c(Br)cccc32)C(N)=O)cc1 ZINC000409855511 563572841 /nfs/dbraw/zinc/57/28/41/563572841.db2.gz MUKKOUYZEDRKES-HOTGVXAUSA-N 1 2 386.249 2.961 20 30 GFEDLO C#CC[N@H+](C[C@@H]1CCS(=O)(=O)C1)[C@H]1CCOc2ccc(Br)cc21 ZINC000365001373 563771361 /nfs/dbraw/zinc/77/13/61/563771361.db2.gz MVRWFBMDIPVNJG-BBRMVZONSA-N 1 2 398.322 2.643 20 30 GFEDLO C#CC[N@@H+](C[C@@H]1CCS(=O)(=O)C1)[C@H]1CCOc2ccc(Br)cc21 ZINC000365001373 563771364 /nfs/dbraw/zinc/77/13/64/563771364.db2.gz MVRWFBMDIPVNJG-BBRMVZONSA-N 1 2 398.322 2.643 20 30 GFEDLO N#Cc1cc(Cl)ccc1S(=O)(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000443090831 563791012 /nfs/dbraw/zinc/79/10/12/563791012.db2.gz CJDIWAOGLYZQFV-OAHLLOKOSA-N 1 2 379.869 2.920 20 30 GFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)Cc1csc(Cc2cccc(Cl)c2)n1 ZINC000565574510 564286378 /nfs/dbraw/zinc/28/63/78/564286378.db2.gz FSVWKDIRAIUMKA-GOSISDBHSA-N 1 2 376.913 2.890 20 30 GFEDLO C=CC[N@@H+](CCN1C(=O)N[C@H](C)C1=O)Cc1cc(Br)ccc1F ZINC000459329210 564739849 /nfs/dbraw/zinc/73/98/49/564739849.db2.gz RLOSGXKSJWOZAS-LLVKDONJSA-N 1 2 384.249 2.517 20 30 GFEDLO C=CC[N@H+](CCN1C(=O)N[C@H](C)C1=O)Cc1cc(Br)ccc1F ZINC000459329210 564739853 /nfs/dbraw/zinc/73/98/53/564739853.db2.gz RLOSGXKSJWOZAS-LLVKDONJSA-N 1 2 384.249 2.517 20 30 GFEDLO Cn1cc[nH+]c1[C@@H](NS(=O)(=O)CC1(C#N)CCC1)c1ccc(Cl)cc1 ZINC000579893016 564753293 /nfs/dbraw/zinc/75/32/93/564753293.db2.gz OFSLIDQGTYSLTM-HNNXBMFYSA-N 1 2 378.885 2.776 20 30 GFEDLO C=CCOc1ccc(Br)cc1NC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000459715848 564758578 /nfs/dbraw/zinc/75/85/78/564758578.db2.gz PLIRMLICODLZTH-ZDUSSCGKSA-N 1 2 398.301 2.856 20 30 GFEDLO C=CCOc1ccc(Br)cc1NC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000459715848 564758583 /nfs/dbraw/zinc/75/85/83/564758583.db2.gz PLIRMLICODLZTH-ZDUSSCGKSA-N 1 2 398.301 2.856 20 30 GFEDLO C[C@@H]1C[C@H](NS(=O)(=O)c2ccc(C#N)c(Br)c2)c2[nH+]ccn21 ZINC000582946145 564869257 /nfs/dbraw/zinc/86/92/57/564869257.db2.gz UBFDIHJGPNZXEM-RNCFNFMXSA-N 1 2 381.255 2.502 20 30 GFEDLO Cc1cc(Br)cn2cc(CNC(=O)N3CCC(F)(C#N)CC3)[nH+]c12 ZINC000501914654 564988376 /nfs/dbraw/zinc/98/83/76/564988376.db2.gz KQIGEYWDBDUEOT-UHFFFAOYSA-N 1 2 394.248 2.943 20 30 GFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cc(Cl)ccc1I ZINC000584473391 565082506 /nfs/dbraw/zinc/08/25/06/565082506.db2.gz ZQUHDGOQRUKEKO-CYBMUJFWSA-N 1 2 391.640 2.518 20 30 GFEDLO C[NH+](C)[C@@H](CNS(=O)(=O)c1cccc(CC#N)c1)c1ccccc1Cl ZINC000619473677 565343838 /nfs/dbraw/zinc/34/38/38/565343838.db2.gz XEEOEUOPCBDSEW-SFHVURJKSA-N 1 2 377.897 2.987 20 30 GFEDLO N#Cc1sccc1S(=O)(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000593585501 565345262 /nfs/dbraw/zinc/34/52/62/565345262.db2.gz NXJBCPIVWCRZKQ-OAHLLOKOSA-N 1 2 393.559 2.516 20 30 GFEDLO N#Cc1sccc1S(=O)(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000593585501 565345266 /nfs/dbraw/zinc/34/52/66/565345266.db2.gz NXJBCPIVWCRZKQ-OAHLLOKOSA-N 1 2 393.559 2.516 20 30 GFEDLO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccccc1CC#N)c1ccccc1Cl ZINC000619572281 565349436 /nfs/dbraw/zinc/34/94/36/565349436.db2.gz VIYRHEMBEMLYBU-KRWDZBQOSA-N 1 2 377.897 2.987 20 30 GFEDLO C=CCC[C@H](O)C[NH2+][C@]1(C(=O)OC)CCc2cc(Br)ccc2C1 ZINC000599593223 565690813 /nfs/dbraw/zinc/69/08/13/565690813.db2.gz ARKUVFCBZNPTHF-FUHWJXTLSA-N 1 2 382.298 2.766 20 30 GFEDLO C[C@H]1C[NH+](CC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)C[C@H](C)N1CC#N ZINC000602857499 565872080 /nfs/dbraw/zinc/87/20/80/565872080.db2.gz RVTKZLPUVSGPOW-KBPBESRZSA-N 1 2 383.323 2.870 20 30 GFEDLO C[C@@H]1C[NH+](CC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)C[C@@H](C)N1CC#N ZINC000602861839 565872145 /nfs/dbraw/zinc/87/21/45/565872145.db2.gz MCHAYPCFIGRGEI-ZIAGYGMSSA-N 1 2 383.323 2.870 20 30 GFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824045318 608465416 /nfs/dbraw/zinc/46/54/16/608465416.db2.gz LERDIZUTBBMCJB-OAHLLOKOSA-N 1 2 399.458 2.855 20 30 GFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824045318 608465418 /nfs/dbraw/zinc/46/54/18/608465418.db2.gz LERDIZUTBBMCJB-OAHLLOKOSA-N 1 2 399.458 2.855 20 30 GFEDLO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH+]1CCN(CC#N)CC1 ZINC000092936214 655015971 /nfs/dbraw/zinc/01/59/71/655015971.db2.gz HVSOKKZYONDOEU-UHFFFAOYSA-N 1 2 388.313 2.893 20 30 GFEDLO C=CCCC[NH+]1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000117870994 655268975 /nfs/dbraw/zinc/26/89/75/655268975.db2.gz KPUIWDAFWAVFFA-UHFFFAOYSA-N 1 2 379.345 2.783 20 30 GFEDLO C#CCNC(=O)C1CC[NH+]([C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000747825669 655783988 /nfs/dbraw/zinc/78/39/88/655783988.db2.gz ZYVHVZCJCAWBMK-GFCCVEGCSA-N 1 2 382.291 2.782 20 30 GFEDLO Cc1ccc2[nH+]cc(CN=Nc3ncnc4c3c(Br)nn4C)n2c1 ZINC000755684065 655887233 /nfs/dbraw/zinc/88/72/33/655887233.db2.gz YXYIMUDARGKVDK-UHFFFAOYSA-N 1 2 385.229 2.528 20 30 GFEDLO Clc1ccc(-n2cc(C=NNC3=[NH+][C@H]4CCCC[C@@H]4N3)nn2)cc1Cl ZINC000783861712 657265785 /nfs/dbraw/zinc/26/57/85/657265785.db2.gz GDVDIMCUYTVAEJ-GJZGRUSLSA-N 1 2 378.267 2.768 20 30 GFEDLO Nc1c(Br)cc(Br)cc1C=[NH+]N1CCC[C@@H]1CO ZINC000841659685 661307507 /nfs/dbraw/zinc/30/75/07/661307507.db2.gz HUKCYOVEOBXRPI-SNVBAGLBSA-N 1 2 377.080 2.584 20 30 GFEDLO C#CCCCOc1ccc[nH+]c1NCc1c(I)cnn1C ZINC000866292099 662467198 /nfs/dbraw/zinc/46/71/98/662467198.db2.gz GZXXGOCTBNPZNT-UHFFFAOYSA-N 1 2 396.232 2.824 20 30 GFEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1cc(Cl)ccc1OCC(F)(F)F ZINC000884066095 663064517 /nfs/dbraw/zinc/06/45/17/663064517.db2.gz LCACIUPLTKANGF-JTQLQIEISA-N 1 2 380.750 2.666 20 30 GFEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1cc(Br)ccc1NC(C)C ZINC000884193896 663066880 /nfs/dbraw/zinc/06/68/80/663066880.db2.gz SMYDZXMSDKDBHQ-LBPRGKRZSA-N 1 2 384.274 2.655 20 30 GFEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1ccc(Br)c(OC(C)C)c1 ZINC000884460666 663071064 /nfs/dbraw/zinc/07/10/64/663071064.db2.gz HWWTZXBQOMGNAQ-ZDUSSCGKSA-N 1 2 385.258 2.621 20 30 GFEDLO N#Cc1cc(S(=O)(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)ccc1Br ZINC000906912618 663981391 /nfs/dbraw/zinc/98/13/91/663981391.db2.gz OXOKTJAGGYWYMV-CYBMUJFWSA-N 1 2 395.282 2.543 20 30 GFEDLO C#C[C@H](NC(=O)/C=C(/C)C[NH+]1CCOCC1)c1ccc(Br)cc1 ZINC000908518315 664111672 /nfs/dbraw/zinc/11/16/72/664111672.db2.gz ZJDHSSYYYQXGDO-AINHQSCGSA-N 1 2 377.282 2.518 20 30 GFEDLO C#C[C@@H](NC(=O)/C=C(\C)C[NH+]1CCOCC1)c1ccc(Br)cc1 ZINC000908518314 664111855 /nfs/dbraw/zinc/11/18/55/664111855.db2.gz ZJDHSSYYYQXGDO-ABDJAZHISA-N 1 2 377.282 2.518 20 30 GFEDLO CC(C)CNC(=O)C[NH+]1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932946566 664844311 /nfs/dbraw/zinc/84/43/11/664844311.db2.gz RMLGWARIQDXSMC-IUCAKERBSA-N 1 2 382.295 2.861 20 30 GFEDLO C=C(Br)C[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000968955034 665014607 /nfs/dbraw/zinc/01/46/07/665014607.db2.gz KERVMCPQEIDMHH-JHMPBIJASA-N 1 2 383.330 2.679 20 30 GFEDLO C=C(Br)C[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000968955034 665014611 /nfs/dbraw/zinc/01/46/11/665014611.db2.gz KERVMCPQEIDMHH-JHMPBIJASA-N 1 2 383.330 2.679 20 30 GFEDLO N#Cc1ccc(Cl)nc1C(F)(F)N1CC[NH+](CCc2ccccn2)CC1 ZINC001165055943 722013528 /nfs/dbraw/zinc/01/35/28/722013528.db2.gz OAGSMMXEDNKJEG-UHFFFAOYSA-N 1 2 377.826 2.911 20 30 GFEDLO N#Cc1cc(Br)ccc1NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000121886876 551245073 /nfs/dbraw/zinc/24/50/73/551245073.db2.gz LXEUSRPEJFREQX-MRXNPFEDSA-N 1 2 382.327 2.941 20 30 GFEDLO CC#CCC[N@@H+]1CCCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000156485377 551523672 /nfs/dbraw/zinc/52/36/72/551523672.db2.gz ZYYYQUBXGRBMRR-UHFFFAOYSA-N 1 2 391.356 2.620 20 30 GFEDLO CC#CCC[N@H+]1CCCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000156485377 551523674 /nfs/dbraw/zinc/52/36/74/551523674.db2.gz ZYYYQUBXGRBMRR-UHFFFAOYSA-N 1 2 391.356 2.620 20 30 GFEDLO C=CC[N@@H+](CCc1nc(-c2ccc(Cl)cc2)no1)[C@@H]1CCS(=O)(=O)C1 ZINC000158063918 551546944 /nfs/dbraw/zinc/54/69/44/551546944.db2.gz PZOQQAQFSUSODW-OAHLLOKOSA-N 1 2 381.885 2.608 20 30 GFEDLO C=CC[N@H+](CCc1nc(-c2ccc(Cl)cc2)no1)[C@@H]1CCS(=O)(=O)C1 ZINC000158063918 551546947 /nfs/dbraw/zinc/54/69/47/551546947.db2.gz PZOQQAQFSUSODW-OAHLLOKOSA-N 1 2 381.885 2.608 20 30 GFEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)CSCc1ccc(Cl)cc1 ZINC000162497710 551609056 /nfs/dbraw/zinc/60/90/56/551609056.db2.gz ZVFZQFHIYKOQFT-UHFFFAOYSA-N 1 2 381.929 2.648 20 30 GFEDLO N#Cc1ccc(S(=O)(=O)N2CCCN(c3cccc[nH+]3)CC2)cc1Cl ZINC000186106789 552379338 /nfs/dbraw/zinc/37/93/38/552379338.db2.gz QUVSMEYDBMVUQG-UHFFFAOYSA-N 1 2 376.869 2.508 20 30 GFEDLO Cc1ccc(C#N)cc1S(=O)(=O)N1CC[NH2+]C[C@@H]1c1ccccc1Cl ZINC000261796083 553160033 /nfs/dbraw/zinc/16/00/33/553160033.db2.gz VHSDZSVLHNRXBD-QGZVFWFLSA-N 1 2 375.881 2.855 20 30 GFEDLO C=CCNC(=O)C[NH+]1CCN(Cc2cc(Br)ccc2Cl)CC1 ZINC000506282894 564199859 /nfs/dbraw/zinc/19/98/59/564199859.db2.gz UAHLOVNIUYOIBK-UHFFFAOYSA-N 1 2 386.721 2.522 20 30 GFEDLO Cc1cnc(C2CC[NH+](CCS(=O)(=O)c3ccc(C#N)cc3)CC2)s1 ZINC000277532661 563212545 /nfs/dbraw/zinc/21/25/45/563212545.db2.gz RONLTNNGGUZNRK-UHFFFAOYSA-N 1 2 375.519 2.977 20 30 GFEDLO N#Cc1ccc(S(=O)(=O)N2CCC(n3cc[nH+]c3)CC2)cc1Br ZINC000278678335 563266406 /nfs/dbraw/zinc/26/64/06/563266406.db2.gz GEXDNNJBUXGXJU-UHFFFAOYSA-N 1 2 395.282 2.543 20 30 GFEDLO O=C(N[C@@H]1CCN(c2cccc(Br)c2)C1)N1CCn2cc[nH+]c2C1 ZINC000330212505 563499070 /nfs/dbraw/zinc/49/90/70/563499070.db2.gz DQIMGHQCHMFGHH-CQSZACIVSA-N 1 2 390.285 2.654 20 30 GFEDLO C[N@@H+]1CC[C@H](NS(=O)(=O)CC2(CC#N)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000333471125 563633267 /nfs/dbraw/zinc/63/32/67/563633267.db2.gz WGNGHLHOFAOPRU-HOTGVXAUSA-N 1 2 385.892 2.838 20 30 GFEDLO C[N@H+]1CC[C@H](NS(=O)(=O)CC2(CC#N)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000333471125 563633270 /nfs/dbraw/zinc/63/32/70/563633270.db2.gz WGNGHLHOFAOPRU-HOTGVXAUSA-N 1 2 385.892 2.838 20 30 GFEDLO C=CCNC(=O)C[NH+]1CCN(c2ncc(-c3ccc(Cl)cc3)s2)CC1 ZINC000413028185 563679983 /nfs/dbraw/zinc/67/99/83/563679983.db2.gz AVRZQAZNZBYFDS-UHFFFAOYSA-N 1 2 376.913 2.888 20 30 GFEDLO C=CCNC(=O)C[NH+]1CCN(c2nc(-c3ccccc3Cl)cs2)CC1 ZINC000542209340 564304967 /nfs/dbraw/zinc/30/49/67/564304967.db2.gz DHPKKBFQRSYXIB-UHFFFAOYSA-N 1 2 376.913 2.888 20 30 GFEDLO Cc1c(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cnn1-c1ccc(Br)cc1 ZINC000567903088 564395874 /nfs/dbraw/zinc/39/58/74/564395874.db2.gz HYUPWCBWFPUZOS-KRWDZBQOSA-N 1 2 390.285 2.517 20 30 GFEDLO C=CCCC[C@@H](C)NC(=O)C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000487806262 564696549 /nfs/dbraw/zinc/69/65/49/564696549.db2.gz WUKYPVVEGVMBQQ-GFCCVEGCSA-N 1 2 393.285 2.574 20 30 GFEDLO C=CCOc1ccc(Br)cc1NC(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000459664864 564755656 /nfs/dbraw/zinc/75/56/56/564755656.db2.gz BXCNZZPRYLSHAA-CYBMUJFWSA-N 1 2 398.301 2.856 20 30 GFEDLO C=CCOc1ccc(Br)cc1NC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000459715847 564758693 /nfs/dbraw/zinc/75/86/93/564758693.db2.gz PLIRMLICODLZTH-CYBMUJFWSA-N 1 2 398.301 2.856 20 30 GFEDLO C=CCOc1ccc(Br)cc1NC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000459715847 564758698 /nfs/dbraw/zinc/75/86/98/564758698.db2.gz PLIRMLICODLZTH-CYBMUJFWSA-N 1 2 398.301 2.856 20 30 GFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)COc1ccc2cc(Br)ccc2c1 ZINC000582395662 564844460 /nfs/dbraw/zinc/84/44/60/564844460.db2.gz JYDOVUZSNJMYFR-GOSISDBHSA-N 1 2 390.281 2.941 20 30 GFEDLO C=CCN1CC[C@H]([N@H+](C)CC[S@](=O)c2cc(Cl)ccc2Cl)C1=O ZINC000499995679 564942482 /nfs/dbraw/zinc/94/24/82/564942482.db2.gz KNVDIHQTIRHIKF-PSLXWICFSA-N 1 2 375.321 2.820 20 30 GFEDLO C=CCN1CC[C@H]([N@@H+](C)CC[S@](=O)c2cc(Cl)ccc2Cl)C1=O ZINC000499995679 564942485 /nfs/dbraw/zinc/94/24/85/564942485.db2.gz KNVDIHQTIRHIKF-PSLXWICFSA-N 1 2 375.321 2.820 20 30 GFEDLO C[C@H]1Cc2ccc(Br)cc2C[N@@H+]1CC(=O)N(CCC#N)CCC#N ZINC000501408627 564979050 /nfs/dbraw/zinc/97/90/50/564979050.db2.gz HTGGGUGQWMHMGO-AWEZNQCLSA-N 1 2 389.297 2.852 20 30 GFEDLO C[C@H]1Cc2ccc(Br)cc2C[N@H+]1CC(=O)N(CCC#N)CCC#N ZINC000501408627 564979053 /nfs/dbraw/zinc/97/90/53/564979053.db2.gz HTGGGUGQWMHMGO-AWEZNQCLSA-N 1 2 389.297 2.852 20 30 GFEDLO N#Cc1cccc(S(=O)(=O)CC[NH2+]Cc2nc(C(F)(F)F)cs2)c1 ZINC000591742677 565237917 /nfs/dbraw/zinc/23/79/17/565237917.db2.gz WLUSSWGLQMXQTK-UHFFFAOYSA-N 1 2 375.397 2.597 20 30 GFEDLO CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000592184226 565262268 /nfs/dbraw/zinc/26/22/68/565262268.db2.gz IMDREZBSGJGHPQ-AWEZNQCLSA-N 1 2 390.203 2.821 20 30 GFEDLO CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000592184226 565262271 /nfs/dbraw/zinc/26/22/71/565262271.db2.gz IMDREZBSGJGHPQ-AWEZNQCLSA-N 1 2 390.203 2.821 20 30 GFEDLO C=C(Cl)CSc1nc(C)c(CC(=O)N[C@H](C)C[NH+]2CCOCC2)s1 ZINC000819107159 660246787 /nfs/dbraw/zinc/24/67/87/660246787.db2.gz FPDAKCMYXASKNK-GFCCVEGCSA-N 1 2 389.974 2.676 20 30 GFEDLO C=CCn1c(C)nnc1SCC(=O)Nc1nc(C[NH+]2CCCC2)cs1 ZINC000053423826 654746677 /nfs/dbraw/zinc/74/66/77/654746677.db2.gz ALBVFCZLKONSSP-UHFFFAOYSA-N 1 2 378.527 2.556 20 30 GFEDLO N#Cc1cc(Br)cc(S(=O)(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000268035855 654956605 /nfs/dbraw/zinc/95/66/05/654956605.db2.gz FZUMKJNSORUSNR-GFCCVEGCSA-N 1 2 395.282 2.612 20 30 GFEDLO C[C@@H](C#N)CSc1ccccc1NC(=S)NCCC[NH+]1CCOCC1 ZINC000730955349 655579632 /nfs/dbraw/zinc/57/96/32/655579632.db2.gz YSHYJNXAYYUHIF-HNNXBMFYSA-N 1 2 378.567 2.947 20 30 GFEDLO C#CCNC(=O)C1CC[NH+]([C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)CC1 ZINC000747820489 655784018 /nfs/dbraw/zinc/78/40/18/655784018.db2.gz YWKFBYMSHAKROM-LBPRGKRZSA-N 1 2 382.291 2.782 20 30 GFEDLO C#CCO[C@@H](C)C(=O)N(CCCn1cc[nH+]c1)c1ccc(Br)cn1 ZINC000841349385 661254029 /nfs/dbraw/zinc/25/40/29/661254029.db2.gz YNNCNVAEEVJFHT-AWEZNQCLSA-N 1 2 391.269 2.502 20 30 GFEDLO C[C@@H](C1CC1)N(C(=O)CO[NH+]=C(N)c1ccc(Br)cc1)C1CC1 ZINC000782949633 657196049 /nfs/dbraw/zinc/19/60/49/657196049.db2.gz KVJFUKWHRYAKTR-NSHDSACASA-N 1 2 380.286 2.876 20 30 GFEDLO O=C1Nc2ccc(Br)c(Cl)c2C1=NNC1=[NH+][C@@H]2CCCC[C@H]2N1 ZINC000788024274 657635046 /nfs/dbraw/zinc/63/50/46/657635046.db2.gz LTYGAQZKXQHTMD-RKDXNWHRSA-N 1 2 396.676 2.619 20 30 GFEDLO C[NH+]1CCN(c2ccc(NC[C@@H](O)CC(C)(C)C#N)cc2Br)CC1 ZINC000857242480 662069405 /nfs/dbraw/zinc/06/94/05/662069405.db2.gz FJVSQHVVDBYBHO-HNNXBMFYSA-N 1 2 395.345 2.914 20 30 GFEDLO Cc1cc(CN(CCC#N)CC[NH+]2CCOCC2)c(Br)cc1F ZINC000862210865 662273301 /nfs/dbraw/zinc/27/33/01/662273301.db2.gz YWQNSDMDDMTZBJ-UHFFFAOYSA-N 1 2 384.293 2.945 20 30 GFEDLO N#Cc1nc(NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)ccc1Br ZINC000883094600 663048828 /nfs/dbraw/zinc/04/88/28/663048828.db2.gz HKDJKPGPAHXHDE-UHFFFAOYSA-N 1 2 375.230 2.850 20 30 GFEDLO N#Cc1nc(NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)ccc1Br ZINC000883094600 663048830 /nfs/dbraw/zinc/04/88/30/663048830.db2.gz HKDJKPGPAHXHDE-UHFFFAOYSA-N 1 2 375.230 2.850 20 30 GFEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1ccc(Cl)cc1OCC(F)(F)F ZINC000884137418 663065806 /nfs/dbraw/zinc/06/58/06/663065806.db2.gz LUQCVZDVBBZTKD-JTQLQIEISA-N 1 2 380.750 2.666 20 30 GFEDLO Cn1cc(C[N@H+](C)CCc2cccc(C#N)c2)c(I)n1 ZINC000895450850 663514813 /nfs/dbraw/zinc/51/48/13/663514813.db2.gz DMIGAGMIYPTMPG-UHFFFAOYSA-N 1 2 380.233 2.571 20 30 GFEDLO Cn1cc(C[N@@H+](C)CCc2cccc(C#N)c2)c(I)n1 ZINC000895450850 663514814 /nfs/dbraw/zinc/51/48/14/663514814.db2.gz DMIGAGMIYPTMPG-UHFFFAOYSA-N 1 2 380.233 2.571 20 30 GFEDLO C[N@@H+]1CCC[C@H]1c1cc(C(=O)N[C@@H](C#N)c2ccccc2Br)[nH]n1 ZINC000900699569 663719945 /nfs/dbraw/zinc/71/99/45/663719945.db2.gz MDTRHGPLPIEAOL-HOTGVXAUSA-N 1 2 388.269 2.934 20 30 GFEDLO C[N@H+]1CCC[C@H]1c1cc(C(=O)N[C@@H](C#N)c2ccccc2Br)[nH]n1 ZINC000900699569 663719947 /nfs/dbraw/zinc/71/99/47/663719947.db2.gz MDTRHGPLPIEAOL-HOTGVXAUSA-N 1 2 388.269 2.934 20 30 GFEDLO CC[C@@H]([NH2+]Cc1nc(C#N)cs1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000903262077 663780794 /nfs/dbraw/zinc/78/07/94/663780794.db2.gz AEWBTQBOGFZLCX-CYBMUJFWSA-N 1 2 384.914 2.817 20 30 GFEDLO C=CCOC(=O)[C@@H]([NH3+])Cc1nc(CCCc2ccccc2Br)no1 ZINC000904105731 663824873 /nfs/dbraw/zinc/82/48/73/663824873.db2.gz LCJQSKUJTZUBSU-AWEZNQCLSA-N 1 2 394.269 2.606 20 30 GFEDLO C=CCOC(=O)[C@@H]([NH3+])Cc1nc(C2(c3ccccc3Br)CC2)no1 ZINC000904118073 663825366 /nfs/dbraw/zinc/82/53/66/663825366.db2.gz DZWJZLNJFBJSNU-ZDUSSCGKSA-N 1 2 392.253 2.511 20 30 GFEDLO Nc1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)nn1 ZINC000904429060 663833918 /nfs/dbraw/zinc/83/39/18/663833918.db2.gz VYCUMFBJSQRURM-OCAPTIKFSA-N 1 2 376.251 2.662 20 30 GFEDLO Nc1ccc(C[N@H+]2C[C@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)nn1 ZINC000904429060 663833920 /nfs/dbraw/zinc/83/39/20/663833920.db2.gz VYCUMFBJSQRURM-OCAPTIKFSA-N 1 2 376.251 2.662 20 30 GFEDLO C=C(Cl)CSc1nc(C)c(CC(=O)N2CC[NH2+][C@H](c3cn[nH]c3)C2)s1 ZINC000913458510 664339115 /nfs/dbraw/zinc/33/91/15/664339115.db2.gz PAWOOIAGRPYREX-ZDUSSCGKSA-N 1 2 397.957 2.735 20 30 GFEDLO C#C[C@H]([NH2+]Cc1nc(Br)c(Br)n1CC)[C@H]1CCCO1 ZINC000922013461 664581224 /nfs/dbraw/zinc/58/12/24/664581224.db2.gz ZNTAEABTVSVELU-VHSXEESVSA-N 1 2 391.107 2.698 20 30 GFEDLO C[C@@H]1C[N@H+](CCNC(=O)Nc2ccc(C#N)c(Br)c2)[C@H](C)CO1 ZINC000596904136 677674347 /nfs/dbraw/zinc/67/43/47/677674347.db2.gz LPRONIVIMRXIAF-VXGBXAGGSA-N 1 2 381.274 2.551 20 30 GFEDLO C[C@@H]1C[N@@H+](CCNC(=O)Nc2ccc(C#N)c(Br)c2)[C@H](C)CO1 ZINC000596904136 677674348 /nfs/dbraw/zinc/67/43/48/677674348.db2.gz LPRONIVIMRXIAF-VXGBXAGGSA-N 1 2 381.274 2.551 20 30 GFEDLO C=CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000151106614 551407424 /nfs/dbraw/zinc/40/74/24/551407424.db2.gz XCVANXOTLLJFQW-MNOVXSKESA-N 1 2 379.258 2.840 20 30 GFEDLO COCCN(c1cc[nH+]cc1)S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000152022241 551425075 /nfs/dbraw/zinc/42/50/75/551425075.db2.gz OXEVTEGLYBKMND-UHFFFAOYSA-N 1 2 396.266 2.557 20 30 GFEDLO COc1ccc(C#N)cc1C[N@H+](C)CC(=O)Nc1ccc(Br)cn1 ZINC000159858537 551572140 /nfs/dbraw/zinc/57/21/40/551572140.db2.gz AZBWGMBNOCAEKN-UHFFFAOYSA-N 1 2 389.253 2.795 20 30 GFEDLO COc1ccc(C#N)cc1C[N@@H+](C)CC(=O)Nc1ccc(Br)cn1 ZINC000159858537 551572142 /nfs/dbraw/zinc/57/21/42/551572142.db2.gz AZBWGMBNOCAEKN-UHFFFAOYSA-N 1 2 389.253 2.795 20 30 GFEDLO N#Cc1ccc(C[NH+]2CCN(c3ncccc3C#N)CC2)c(Br)c1 ZINC000180904449 552239511 /nfs/dbraw/zinc/23/95/11/552239511.db2.gz AUTOIBUHGXGKDK-UHFFFAOYSA-N 1 2 382.265 2.910 20 30 GFEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1ccc(C#N)cc1Br ZINC000181145595 552248544 /nfs/dbraw/zinc/24/85/44/552248544.db2.gz OZXCLLJNLMAVCA-CYBMUJFWSA-N 1 2 397.280 2.693 20 30 GFEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1ccc(C#N)cc1Br ZINC000181145595 552248546 /nfs/dbraw/zinc/24/85/46/552248546.db2.gz OZXCLLJNLMAVCA-CYBMUJFWSA-N 1 2 397.280 2.693 20 30 GFEDLO C[N@@H+]1CCN(S(=O)(=O)c2ccc(C#N)cc2Cl)[C@H](c2ccccc2)C1 ZINC000183422701 552308584 /nfs/dbraw/zinc/30/85/84/552308584.db2.gz LKODGGFTPKWVCL-KRWDZBQOSA-N 1 2 375.881 2.889 20 30 GFEDLO C[N@H+]1CCN(S(=O)(=O)c2ccc(C#N)cc2Cl)[C@H](c2ccccc2)C1 ZINC000183422701 552308585 /nfs/dbraw/zinc/30/85/85/552308585.db2.gz LKODGGFTPKWVCL-KRWDZBQOSA-N 1 2 375.881 2.889 20 30 GFEDLO C[C@@H](c1nccs1)N1CC[NH+](CCC(=O)Nc2sccc2C#N)CC1 ZINC000184576383 552339033 /nfs/dbraw/zinc/33/90/33/552339033.db2.gz KGXSMXHILXNDBO-ZDUSSCGKSA-N 1 2 375.523 2.784 20 30 GFEDLO CC[N@@H+]1CCc2nc(NS(=O)(=O)c3cc(C#N)ccc3Cl)sc2C1 ZINC000186374043 552386381 /nfs/dbraw/zinc/38/63/81/552386381.db2.gz GLAGURUYISWLQT-UHFFFAOYSA-N 1 2 382.898 2.847 20 30 GFEDLO CC[N@H+]1CCc2nc(NS(=O)(=O)c3cc(C#N)ccc3Cl)sc2C1 ZINC000186374043 552386384 /nfs/dbraw/zinc/38/63/84/552386384.db2.gz GLAGURUYISWLQT-UHFFFAOYSA-N 1 2 382.898 2.847 20 30 GFEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000249760412 553146397 /nfs/dbraw/zinc/14/63/97/553146397.db2.gz XMKDXIBJGHPHSP-NXHRZFHOSA-N 1 2 384.307 2.938 20 30 GFEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000249760412 553146400 /nfs/dbraw/zinc/14/64/00/553146400.db2.gz XMKDXIBJGHPHSP-NXHRZFHOSA-N 1 2 384.307 2.938 20 30 GFEDLO Cc1sc(NC(=O)C[N@@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)c(C#N)c1C ZINC000277712834 563221905 /nfs/dbraw/zinc/22/19/05/563221905.db2.gz IOXPGSWUOOVROI-SMDDNHRTSA-N 1 2 375.416 2.810 20 30 GFEDLO Cc1sc(NC(=O)C[N@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)c(C#N)c1C ZINC000277712834 563221907 /nfs/dbraw/zinc/22/19/07/563221907.db2.gz IOXPGSWUOOVROI-SMDDNHRTSA-N 1 2 375.416 2.810 20 30 GFEDLO O=C(N[C@@H]1COc2cc(F)c(Br)cc21)N1CCn2cc[nH+]c2C1 ZINC000328707016 563463419 /nfs/dbraw/zinc/46/34/19/563463419.db2.gz LRZRHSYCBCDTGS-GFCCVEGCSA-N 1 2 381.205 2.648 20 30 GFEDLO Cc1cc(Br)cn2cc(CNC(=O)N3CC4(C3)CCOCC4)[nH+]c12 ZINC000330273134 563500512 /nfs/dbraw/zinc/50/05/12/563500512.db2.gz YTAQJWOWPPYUPY-UHFFFAOYSA-N 1 2 393.285 2.932 20 30 GFEDLO COc1ccc(NC(=O)NCC(C)(C)[NH+]2CCOCC2)c(Br)c1 ZINC000330464929 563506724 /nfs/dbraw/zinc/50/67/24/563506724.db2.gz FREATFSHVGIKCA-UHFFFAOYSA-N 1 2 386.290 2.894 20 30 GFEDLO COc1cc(Br)cc(NC(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)c1 ZINC000330588229 563512561 /nfs/dbraw/zinc/51/25/61/563512561.db2.gz XNTATJRLLBEQCY-NEPJUHHUSA-N 1 2 386.290 2.893 20 30 GFEDLO COc1cc(Br)cc(NC(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)c1 ZINC000330588231 563512808 /nfs/dbraw/zinc/51/28/08/563512808.db2.gz XNTATJRLLBEQCY-VXGBXAGGSA-N 1 2 386.290 2.893 20 30 GFEDLO N#Cc1ccc([C@H]([NH2+][C@@H]2COc3cc(F)c(Br)cc32)C(N)=O)cc1 ZINC000409833682 563572400 /nfs/dbraw/zinc/57/24/00/563572400.db2.gz BMKDOJDGSMRLGH-ZBFHGGJFSA-N 1 2 390.212 2.710 20 30 GFEDLO CC[C@H](CNS(=O)(=O)c1ccc(C#N)s1)[N@@H+]1CCc2ccccc2C1 ZINC000435442676 563651284 /nfs/dbraw/zinc/65/12/84/563651284.db2.gz JXEXJSXPEWVWLR-MRXNPFEDSA-N 1 2 375.519 2.735 20 30 GFEDLO CC[C@H](CNS(=O)(=O)c1ccc(C#N)s1)[N@H+]1CCc2ccccc2C1 ZINC000435442676 563651288 /nfs/dbraw/zinc/65/12/88/563651288.db2.gz JXEXJSXPEWVWLR-MRXNPFEDSA-N 1 2 375.519 2.735 20 30 GFEDLO C[N@H+](CCC#N)C[C@H](O)COc1ccc(I)c(Cl)c1 ZINC000414133705 563720169 /nfs/dbraw/zinc/72/01/69/563720169.db2.gz BWXUJKAKCGNUGT-JTQLQIEISA-N 1 2 394.640 2.530 20 30 GFEDLO C[N@@H+](CCC#N)C[C@H](O)COc1ccc(I)c(Cl)c1 ZINC000414133705 563720171 /nfs/dbraw/zinc/72/01/71/563720171.db2.gz BWXUJKAKCGNUGT-JTQLQIEISA-N 1 2 394.640 2.530 20 30 GFEDLO C=CCOc1c(Br)cc(C[N@H+]2C[C@@H](O)C[C@H]2COC)cc1OC ZINC000414492328 563744685 /nfs/dbraw/zinc/74/46/85/563744685.db2.gz RJURYXYRNMGUIX-KBPBESRZSA-N 1 2 386.286 2.604 20 30 GFEDLO C=CCOc1c(Br)cc(C[N@@H+]2C[C@@H](O)C[C@H]2COC)cc1OC ZINC000414492328 563744689 /nfs/dbraw/zinc/74/46/89/563744689.db2.gz RJURYXYRNMGUIX-KBPBESRZSA-N 1 2 386.286 2.604 20 30 GFEDLO N#Cc1c(Cl)cccc1S(=O)(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000443013004 563787307 /nfs/dbraw/zinc/78/73/07/563787307.db2.gz JERJZACRCUWCQL-UHFFFAOYSA-N 1 2 381.910 2.610 20 30 GFEDLO N#Cc1c(Cl)cccc1S(=O)(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000443013004 563787308 /nfs/dbraw/zinc/78/73/08/563787308.db2.gz JERJZACRCUWCQL-UHFFFAOYSA-N 1 2 381.910 2.610 20 30 GFEDLO N#Cc1ncn(C2CC[NH+](Cc3ccc(Br)c([N+](=O)[O-])c3)CC2)n1 ZINC000366285540 563804232 /nfs/dbraw/zinc/80/42/32/563804232.db2.gz QPOXDINRLIHPJP-UHFFFAOYSA-N 1 2 391.229 2.658 20 30 GFEDLO C=CCOc1c(Br)cc(C[NH2+]Cc2nnc(CC)[nH]2)cc1OC ZINC000449346345 564181706 /nfs/dbraw/zinc/18/17/06/564181706.db2.gz MQCHGEYFGHPGLR-UHFFFAOYSA-N 1 2 381.274 2.993 20 30 GFEDLO C[C@@H]1C[N@@H+](CCN(C)C(=O)c2cccc(C#N)c2Br)C[C@H](C)O1 ZINC000451284978 564295736 /nfs/dbraw/zinc/29/57/36/564295736.db2.gz LSVZXWFTELFXNY-BETUJISGSA-N 1 2 380.286 2.502 20 30 GFEDLO C[C@@H]1C[N@H+](CCN(C)C(=O)c2cccc(C#N)c2Br)C[C@H](C)O1 ZINC000451284978 564295740 /nfs/dbraw/zinc/29/57/40/564295740.db2.gz LSVZXWFTELFXNY-BETUJISGSA-N 1 2 380.286 2.502 20 30 GFEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](c2cccc(Br)c2)C1 ZINC000451570868 564326350 /nfs/dbraw/zinc/32/63/50/564326350.db2.gz QNODQOGZWUQIDE-TZMCWYRMSA-N 1 2 380.286 2.639 20 30 GFEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](c2cccc(Br)c2)C1 ZINC000451570868 564326353 /nfs/dbraw/zinc/32/63/53/564326353.db2.gz QNODQOGZWUQIDE-TZMCWYRMSA-N 1 2 380.286 2.639 20 30 GFEDLO N#Cc1c(Br)cccc1OCC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000567558204 564376525 /nfs/dbraw/zinc/37/65/25/564376525.db2.gz GATQLSLQOJQCAV-UHFFFAOYSA-N 1 2 389.253 2.829 20 30 GFEDLO N#Cc1c(Br)cccc1OCC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000567558204 564376528 /nfs/dbraw/zinc/37/65/28/564376528.db2.gz GATQLSLQOJQCAV-UHFFFAOYSA-N 1 2 389.253 2.829 20 30 GFEDLO Cc1cc(Br)cn2cc(CCNC(=O)c3ccc(C#N)c(C)n3)[nH+]c12 ZINC000544707547 564395366 /nfs/dbraw/zinc/39/53/66/564395366.db2.gz FRVUMPDPCZNIBN-UHFFFAOYSA-N 1 2 398.264 2.953 20 30 GFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc(Br)cc1Br ZINC000518542252 564555843 /nfs/dbraw/zinc/55/58/43/564555843.db2.gz NQXJNVPAJSYJSI-CYBMUJFWSA-N 1 2 389.091 2.785 20 30 GFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)COc1ccc2ccccc2c1Br ZINC000572409953 564593084 /nfs/dbraw/zinc/59/30/84/564593084.db2.gz ITGUIHSBHCEDCA-GOSISDBHSA-N 1 2 390.281 2.941 20 30 GFEDLO C=CCOCCCC(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000456986174 564642065 /nfs/dbraw/zinc/64/20/65/564642065.db2.gz SDSNAXAAHKZLMS-UHFFFAOYSA-N 1 2 384.274 2.602 20 30 GFEDLO COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000577312117 564733936 /nfs/dbraw/zinc/73/39/36/564733936.db2.gz VGNYKZCJCQXFHJ-ZFWWWQNUSA-N 1 2 394.313 2.684 20 30 GFEDLO COCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000577312117 564733940 /nfs/dbraw/zinc/73/39/40/564733940.db2.gz VGNYKZCJCQXFHJ-ZFWWWQNUSA-N 1 2 394.313 2.684 20 30 GFEDLO CC#CCCSc1nc2ccsc2c(=O)n1CCC[NH+]1CCOCC1 ZINC000462383740 564835985 /nfs/dbraw/zinc/83/59/85/564835985.db2.gz ICAPSUCCHPEVLX-UHFFFAOYSA-N 1 2 377.535 2.686 20 30 GFEDLO C=C1CC[NH+]([C@@H](C)C(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)CC1 ZINC000532958649 564950607 /nfs/dbraw/zinc/95/06/07/564950607.db2.gz VOYNHUSTBAUYOY-ZDUSSCGKSA-N 1 2 385.917 2.569 20 30 GFEDLO C=CCOc1c(Br)cc(C[N@H+]2CC[C@H](NC(=O)NC)C2)cc1OC ZINC000468680632 564989679 /nfs/dbraw/zinc/98/96/79/564989679.db2.gz DWZRLUFMLYRGPQ-ZDUSSCGKSA-N 1 2 398.301 2.526 20 30 GFEDLO C=CCOc1c(Br)cc(C[N@@H+]2CC[C@H](NC(=O)NC)C2)cc1OC ZINC000468680632 564989682 /nfs/dbraw/zinc/98/96/82/564989682.db2.gz DWZRLUFMLYRGPQ-ZDUSSCGKSA-N 1 2 398.301 2.526 20 30 GFEDLO Cc1[nH+]ccc(NS(=O)(=O)c2ccc(C#N)c(Br)c2)c1Cl ZINC000618974638 565324178 /nfs/dbraw/zinc/32/41/78/565324178.db2.gz XNDAJIYIELOYAW-UHFFFAOYSA-N 1 2 386.658 2.900 20 30 GFEDLO Cc1c[nH]c(C(C)(C)NC(=O)COc2ccc(C#N)c(Br)c2)[nH+]1 ZINC000593735794 565359902 /nfs/dbraw/zinc/35/99/02/565359902.db2.gz XUMBCPFKQKSAEP-UHFFFAOYSA-N 1 2 377.242 2.783 20 30 GFEDLO N#CC[C@H]1CCC[N@@H+]([C@@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)C1 ZINC000594661241 565404267 /nfs/dbraw/zinc/40/42/67/565404267.db2.gz XPMDOBMRAANJCC-IUODEOHRSA-N 1 2 376.254 2.707 20 30 GFEDLO N#CC[C@H]1CCC[N@H+]([C@@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)C1 ZINC000594661241 565404272 /nfs/dbraw/zinc/40/42/72/565404272.db2.gz XPMDOBMRAANJCC-IUODEOHRSA-N 1 2 376.254 2.707 20 30 GFEDLO Cc1cc(Br)cn2cc(CCNC(=O)N3CC[C@](C)(C#N)C3)[nH+]c12 ZINC000595584985 565483944 /nfs/dbraw/zinc/48/39/44/565483944.db2.gz NMYHSUCPPFOTKV-QGZVFWFLSA-N 1 2 390.285 2.893 20 30 GFEDLO Cc1nsc(N2CCN(c3nc(C)[nH+]c(C)c3Br)CC2)c1C#N ZINC000596238896 565516359 /nfs/dbraw/zinc/51/63/59/565516359.db2.gz QXJCZSXTJQXKDF-UHFFFAOYSA-N 1 2 393.314 2.819 20 30 GFEDLO COc1ccc(Cl)cc1S(=O)(=O)N1CC[NH+](C[C@@H](C)CCC#N)CC1 ZINC000602479427 565851671 /nfs/dbraw/zinc/85/16/71/565851671.db2.gz LESUKTIFWWBZBU-AWEZNQCLSA-N 1 2 385.917 2.595 20 30 GFEDLO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCc2nccc(Br)c2C1 ZINC000602848055 565870262 /nfs/dbraw/zinc/87/02/62/565870262.db2.gz CXYNSODBMVDJOJ-CQSZACIVSA-N 1 2 388.265 2.514 20 30 GFEDLO N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCc2nccc(Br)c2C1 ZINC000602848055 565870269 /nfs/dbraw/zinc/87/02/69/565870269.db2.gz CXYNSODBMVDJOJ-CQSZACIVSA-N 1 2 388.265 2.514 20 30 GFEDLO C[N@H+](CC(=O)N(CCC#N)CCC#N)Cc1ccc(Br)cc1F ZINC000602925251 565875806 /nfs/dbraw/zinc/87/58/06/565875806.db2.gz IIPRCVLHIBOAQK-UHFFFAOYSA-N 1 2 381.249 2.676 20 30 GFEDLO C[N@@H+](CC(=O)N(CCC#N)CCC#N)Cc1ccc(Br)cc1F ZINC000602925251 565875809 /nfs/dbraw/zinc/87/58/09/565875809.db2.gz IIPRCVLHIBOAQK-UHFFFAOYSA-N 1 2 381.249 2.676 20 30 GFEDLO N#Cc1cc(Br)ccc1Cn1cc(C[NH+]2CCSCC2)nn1 ZINC000603242633 565892412 /nfs/dbraw/zinc/89/24/12/565892412.db2.gz DVTNTRVWJMUCFC-UHFFFAOYSA-N 1 2 378.299 2.509 20 30 GFEDLO C[N@H+](CCOc1ccc(Br)cc1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000609671167 566048745 /nfs/dbraw/zinc/04/87/45/566048745.db2.gz FWSOKXYFHXFXMI-QGZVFWFLSA-N 1 2 388.265 2.858 20 30 GFEDLO C[N@@H+](CCOc1ccc(Br)cc1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000609671167 566048751 /nfs/dbraw/zinc/04/87/51/566048751.db2.gz FWSOKXYFHXFXMI-QGZVFWFLSA-N 1 2 388.265 2.858 20 30 GFEDLO C[C@@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC[S@@]1=O ZINC000610081547 566064902 /nfs/dbraw/zinc/06/49/02/566064902.db2.gz FSEKNJUFWUSGQH-SHZVTRLKSA-N 1 2 379.551 2.670 20 30 GFEDLO C[C@@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC[S@@]1=O ZINC000610081547 566064907 /nfs/dbraw/zinc/06/49/07/566064907.db2.gz FSEKNJUFWUSGQH-SHZVTRLKSA-N 1 2 379.551 2.670 20 30 GFEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(Oc2ccccc2-c2nn[nH]n2)cc1 ZINC000735380178 598408022 /nfs/dbraw/zinc/40/80/22/598408022.db2.gz DOTJVFIEYWEGAL-SFHVURJKSA-N 1 2 388.431 2.695 20 30 GFEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(Oc2ccccc2-c2nn[nH]n2)cc1 ZINC000735380178 598408024 /nfs/dbraw/zinc/40/80/24/598408024.db2.gz DOTJVFIEYWEGAL-SFHVURJKSA-N 1 2 388.431 2.695 20 30 GFEDLO C=CCOc1ccc(C[NH+]2CCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000823932034 608501160 /nfs/dbraw/zinc/50/11/60/608501160.db2.gz LEGRCXVWMRNPDU-UHFFFAOYSA-N 1 2 390.491 2.749 20 30 GFEDLO C=C[C@H](CO)[NH2+]Cc1nc(N(C)C)n(-c2ccc(Br)cc2)c1Cl ZINC000827715922 660509978 /nfs/dbraw/zinc/50/99/78/660509978.db2.gz QSASNKAZFBJJJO-GFCCVEGCSA-N 1 2 399.720 2.991 20 30 GFEDLO Cc1cc(NC(=O)CO[NH+]=C(N)Cc2cccnc2)ccc1Br ZINC000137632842 655041176 /nfs/dbraw/zinc/04/11/76/655041176.db2.gz XDKSGSWKAAKFRM-UHFFFAOYSA-N 1 2 377.242 2.623 20 30 GFEDLO Cc1cc(C#N)nc(N(CCn2cc[nH+]c2)Cc2ccc(Br)o2)n1 ZINC000574301453 655428455 /nfs/dbraw/zinc/42/84/55/655428455.db2.gz MZYHZXMWNMQRKZ-UHFFFAOYSA-N 1 2 387.241 2.916 20 30 GFEDLO CC[NH+](CC)CCOC(=O)CSc1[nH]c(=O)cc(C(F)(F)F)c1C#N ZINC000771901843 656365368 /nfs/dbraw/zinc/36/53/68/656365368.db2.gz KMGGSLKBLMSHJM-UHFFFAOYSA-N 1 2 377.388 2.655 20 30 GFEDLO Cc1cc(Br)cn2c(CN=Nc3ncnc4c3cnn4C)c[nH+]c12 ZINC000783828990 657264264 /nfs/dbraw/zinc/26/42/64/657264264.db2.gz ZFLRLNMWMKMNLN-UHFFFAOYSA-N 1 2 385.229 2.528 20 30 GFEDLO N#Cc1sc(NCc2ccccc2OCC[NH+]2CCOCC2)nc1Cl ZINC000804388291 659641769 /nfs/dbraw/zinc/64/17/69/659641769.db2.gz SCOWALXAAQMERR-UHFFFAOYSA-N 1 2 378.885 2.991 20 30 GFEDLO CCCN(CC(F)(F)F)C(=O)CO[NH+]=C(N)c1ccc(Br)cc1 ZINC000863466769 662333949 /nfs/dbraw/zinc/33/39/49/662333949.db2.gz BIZSUOGWTWVRDW-UHFFFAOYSA-N 1 2 396.207 2.887 20 30 GFEDLO Cn1cc(C[NH2+]C2(c3cccc(C#N)c3)CC2)c(I)n1 ZINC000894358307 663457198 /nfs/dbraw/zinc/45/71/98/663457198.db2.gz HHDVUMPCAHQTDF-UHFFFAOYSA-N 1 2 378.217 2.675 20 30 GFEDLO C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCC[N@H+](CCF)C1 ZINC000898508127 663653389 /nfs/dbraw/zinc/65/33/89/663653389.db2.gz ZDFSLQQEVPJXBT-KGLIPLIRSA-N 1 2 377.888 2.572 20 30 GFEDLO C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCC[N@@H+](CCF)C1 ZINC000898508127 663653393 /nfs/dbraw/zinc/65/33/93/663653393.db2.gz ZDFSLQQEVPJXBT-KGLIPLIRSA-N 1 2 377.888 2.572 20 30 GFEDLO C=CCNc1ncc(C(=O)N(CCn2cc[nH+]c2)C2CCSCC2)s1 ZINC000908120798 664085200 /nfs/dbraw/zinc/08/52/00/664085200.db2.gz ZAAMNDXOIDJBCY-UHFFFAOYSA-N 1 2 377.539 2.976 20 30 GFEDLO C=CCNC(=O)[C@H](C)[NH+]1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932946240 664844242 /nfs/dbraw/zinc/84/42/42/664844242.db2.gz NTPSVIITGPOAAP-DJLDLDEBSA-N 1 2 380.279 2.780 20 30 GFEDLO N#Cc1cnc(Cl)cc1C(F)(F)N1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001164678371 719564252 /nfs/dbraw/zinc/56/42/52/719564252.db2.gz YBYCOWMBMTXTTL-UHFFFAOYSA-N 1 2 390.781 2.947 20 30 GFEDLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2ncc3c(c2C#N)CCCC3)CC1 ZINC001164919903 721821775 /nfs/dbraw/zinc/82/17/75/721821775.db2.gz XJHXZQUAYMQUMV-UHFFFAOYSA-N 1 2 376.508 2.778 20 30 GFEDLO N#C[C@@H](c1ccc(Br)cc1)N1CC[NH+](C[C@H](O)C(F)(F)F)CC1 ZINC000121873523 551245006 /nfs/dbraw/zinc/24/50/06/551245006.db2.gz RAROIKPYRFJSFW-KBPBESRZSA-N 1 2 392.219 2.555 20 30 GFEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cc(Br)ccc1O ZINC000180585003 552230692 /nfs/dbraw/zinc/23/06/92/552230692.db2.gz VCTGODAZNAFOOX-LBPRGKRZSA-N 1 2 388.269 2.527 20 30 GFEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cc(Br)ccc1O ZINC000180585003 552230693 /nfs/dbraw/zinc/23/06/93/552230693.db2.gz VCTGODAZNAFOOX-LBPRGKRZSA-N 1 2 388.269 2.527 20 30 GFEDLO C[N@@H+]1CC[C@H](NS(=O)(=O)c2ccccc2C#N)[C@H]1c1ccc(Cl)cc1 ZINC000245626889 553094287 /nfs/dbraw/zinc/09/42/87/553094287.db2.gz QXHVNCZHGQHSDL-FUHWJXTLSA-N 1 2 375.881 2.935 20 30 GFEDLO C[N@H+]1CC[C@H](NS(=O)(=O)c2ccccc2C#N)[C@H]1c1ccc(Cl)cc1 ZINC000245626889 553094288 /nfs/dbraw/zinc/09/42/88/553094288.db2.gz QXHVNCZHGQHSDL-FUHWJXTLSA-N 1 2 375.881 2.935 20 30 GFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000249746647 553146376 /nfs/dbraw/zinc/14/63/76/553146376.db2.gz ZZLYLLLAOVSNKY-VOZBZGINSA-N 1 2 384.307 2.891 20 30 GFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000249746647 553146377 /nfs/dbraw/zinc/14/63/77/553146377.db2.gz ZZLYLLLAOVSNKY-VOZBZGINSA-N 1 2 384.307 2.891 20 30 GFEDLO N#C[C@@H](c1ccc(Br)cc1)N1CC[NH+](Cc2cccnc2N)CC1 ZINC000296243008 563280257 /nfs/dbraw/zinc/28/02/57/563280257.db2.gz IFBZKKYLNKSUOJ-KRWDZBQOSA-N 1 2 386.297 2.809 20 30 GFEDLO O=C(NCc1nc2cc(Br)cnc2[nH]1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000328949115 563468880 /nfs/dbraw/zinc/46/88/80/563468880.db2.gz KUJWLNOMLIFNFN-SECBINFHSA-N 1 2 375.230 2.636 20 30 GFEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCC[C@](O)(C(F)(F)F)C1 ZINC000330809558 563522210 /nfs/dbraw/zinc/52/22/10/563522210.db2.gz KCRHGLZSPLMYKS-MEBBXXQBSA-N 1 2 375.778 2.928 20 30 GFEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCC[C@](O)(C(F)(F)F)C1 ZINC000330809558 563522213 /nfs/dbraw/zinc/52/22/13/563522213.db2.gz KCRHGLZSPLMYKS-MEBBXXQBSA-N 1 2 375.778 2.928 20 30 GFEDLO C=CCNC(=O)C[NH+]1CCN(Cc2cccc(Br)c2Cl)CC1 ZINC000411128402 563607142 /nfs/dbraw/zinc/60/71/42/563607142.db2.gz SSTNKTTYRIASOB-UHFFFAOYSA-N 1 2 386.721 2.522 20 30 GFEDLO N#Cc1cc(Br)ccc1C[N@H+]1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC000287629837 563611258 /nfs/dbraw/zinc/61/12/58/563611258.db2.gz FQTYURPJGHVQDN-LLVKDONJSA-N 1 2 390.203 2.821 20 30 GFEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC000287629837 563611260 /nfs/dbraw/zinc/61/12/60/563611260.db2.gz FQTYURPJGHVQDN-LLVKDONJSA-N 1 2 390.203 2.821 20 30 GFEDLO C[C@H](CCC#N)[NH+]1CCN(C(=O)COc2ccc(Br)cc2)CC1 ZINC000411259332 563612235 /nfs/dbraw/zinc/61/22/35/563612235.db2.gz NIDGTZZVJUTFHP-CQSZACIVSA-N 1 2 380.286 2.664 20 30 GFEDLO C[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc(C#N)s2)[C@@H]1c1ccc(Cl)cc1 ZINC000333243925 563625452 /nfs/dbraw/zinc/62/54/52/563625452.db2.gz IYFRCJCWFVRRNI-ZBFHGGJFSA-N 1 2 381.910 2.997 20 30 GFEDLO C[N@H+]1CC[C@@H](NS(=O)(=O)c2ccc(C#N)s2)[C@@H]1c1ccc(Cl)cc1 ZINC000333243925 563625455 /nfs/dbraw/zinc/62/54/55/563625455.db2.gz IYFRCJCWFVRRNI-ZBFHGGJFSA-N 1 2 381.910 2.997 20 30 GFEDLO CCCn1nc2c(cc1=O)C[N@@H+](Cc1ccc(C#N)cc1Br)CC2 ZINC000364860502 563766495 /nfs/dbraw/zinc/76/64/95/563766495.db2.gz PMJDBROUVMJYPZ-UHFFFAOYSA-N 1 2 387.281 2.846 20 30 GFEDLO CCCn1nc2c(cc1=O)C[N@H+](Cc1ccc(C#N)cc1Br)CC2 ZINC000364860502 563766499 /nfs/dbraw/zinc/76/64/99/563766499.db2.gz PMJDBROUVMJYPZ-UHFFFAOYSA-N 1 2 387.281 2.846 20 30 GFEDLO CN(Cc1[nH+]ccn1CC(F)(F)F)S(=O)(=O)c1cccc(Cl)c1C#N ZINC000443081241 563791126 /nfs/dbraw/zinc/79/11/26/563791126.db2.gz PAODQHUUEHSPPN-UHFFFAOYSA-N 1 2 392.790 2.791 20 30 GFEDLO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(F)cc1C#N)c1ccccc1Cl ZINC000443098033 563791988 /nfs/dbraw/zinc/79/19/88/563791988.db2.gz NJGQWUXKGLYUGR-MRXNPFEDSA-N 1 2 381.860 2.932 20 30 GFEDLO N#C[C@@H]1CC[C@@H]([NH+]2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)C1 ZINC000293468899 563814184 /nfs/dbraw/zinc/81/41/84/563814184.db2.gz LRSGATVPCIVXNX-CHWSQXEVSA-N 1 2 388.320 2.992 20 30 GFEDLO Cc1cc(C)c(C(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1Br ZINC000448836447 563901832 /nfs/dbraw/zinc/90/18/32/563901832.db2.gz OYVZWYWEEMJHOC-UHFFFAOYSA-N 1 2 394.313 2.754 20 30 GFEDLO C=CCNC(=O)C[NH+]1CCN(Cc2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000506294442 564200858 /nfs/dbraw/zinc/20/08/58/564200858.db2.gz JFUVOGYJNHDIJL-UHFFFAOYSA-N 1 2 375.822 2.779 20 30 GFEDLO Cc1cn2c([nH+]1)[C@@H](CNS(=O)(=O)c1ccc(CC#N)cc1Cl)CCC2 ZINC000451345670 564302793 /nfs/dbraw/zinc/30/27/93/564302793.db2.gz MAOFMLOQOJRHAD-CQSZACIVSA-N 1 2 378.885 2.767 20 30 GFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc(Sc2ccccc2Cl)nn1 ZINC000566308978 564322119 /nfs/dbraw/zinc/32/21/19/564322119.db2.gz LRABURBTOROTPJ-QGZVFWFLSA-N 1 2 375.885 2.855 20 30 GFEDLO N#Cc1ccc(CN2CC[C@@H]([NH2+]Cc3ncc(Br)s3)C2=O)cc1 ZINC000567562995 564377468 /nfs/dbraw/zinc/37/74/68/564377468.db2.gz NDIHWCUHLJVPDW-CYBMUJFWSA-N 1 2 391.294 2.668 20 30 GFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)COc1ccc2ccccc2c1Br ZINC000572409954 564593112 /nfs/dbraw/zinc/59/31/12/564593112.db2.gz ITGUIHSBHCEDCA-SFHVURJKSA-N 1 2 390.281 2.941 20 30 GFEDLO C=CC[C@@H](C)NC(=O)C[NH+]1CCN(Cc2ccc(Br)cc2F)CC1 ZINC000522665594 564653911 /nfs/dbraw/zinc/65/39/11/564653911.db2.gz LHSYBAGMGLPDLD-CQSZACIVSA-N 1 2 398.320 2.787 20 30 GFEDLO CC(C)[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)CC[N@@H+]1C ZINC000486627561 564659637 /nfs/dbraw/zinc/65/96/37/564659637.db2.gz KKNSWANWQBVGMK-AWEZNQCLSA-N 1 2 375.416 2.538 20 30 GFEDLO CC(C)[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)CC[N@H+]1C ZINC000486627561 564659640 /nfs/dbraw/zinc/65/96/40/564659640.db2.gz KKNSWANWQBVGMK-AWEZNQCLSA-N 1 2 375.416 2.538 20 30 GFEDLO CC1(C)COCC[N@@H+]1CCNC(=O)Nc1ccc(C#N)c(Br)c1 ZINC000487970531 564700919 /nfs/dbraw/zinc/70/09/19/564700919.db2.gz SUIBXKRGUWPIHS-UHFFFAOYSA-N 1 2 381.274 2.553 20 30 GFEDLO CC1(C)COCC[N@H+]1CCNC(=O)Nc1ccc(C#N)c(Br)c1 ZINC000487970531 564700922 /nfs/dbraw/zinc/70/09/22/564700922.db2.gz SUIBXKRGUWPIHS-UHFFFAOYSA-N 1 2 381.274 2.553 20 30 GFEDLO Cc1[nH+]ccc(NS(=O)(=O)c2ccc(C#N)c(Cl)c2)c1Br ZINC000526119771 564720994 /nfs/dbraw/zinc/72/09/94/564720994.db2.gz SUZZXMYYUJUBPC-UHFFFAOYSA-N 1 2 386.658 2.900 20 30 GFEDLO C=CCOc1ccc(Br)cc1NC(=O)N(C)CC[NH+]1CCOCC1 ZINC000459722577 564758993 /nfs/dbraw/zinc/75/89/93/564758993.db2.gz WWVKTRAGKKYDGK-UHFFFAOYSA-N 1 2 398.301 2.810 20 30 GFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCCCOc1ccc(Br)cc1 ZINC000582731306 564859945 /nfs/dbraw/zinc/85/99/45/564859945.db2.gz ZQWWSNGPRQXRAK-QGZVFWFLSA-N 1 2 382.302 2.958 20 30 GFEDLO C[C@H](c1cccc(N2CCCS2(=O)=O)c1)[N@H+](C)Cc1nc(C#N)cs1 ZINC000558575588 564906841 /nfs/dbraw/zinc/90/68/41/564906841.db2.gz PWJLWLRVMQKCGD-CYBMUJFWSA-N 1 2 376.507 2.748 20 30 GFEDLO C[C@H](c1cccc(N2CCCS2(=O)=O)c1)[N@@H+](C)Cc1nc(C#N)cs1 ZINC000558575588 564906843 /nfs/dbraw/zinc/90/68/43/564906843.db2.gz PWJLWLRVMQKCGD-CYBMUJFWSA-N 1 2 376.507 2.748 20 30 GFEDLO C=CC[NH+](CC=C)CC(=O)N(C)CC(=O)Nc1ccc(Br)cc1C ZINC000532918355 564950101 /nfs/dbraw/zinc/95/01/01/564950101.db2.gz OXNUAZAOAPOMIL-UHFFFAOYSA-N 1 2 394.313 2.828 20 30 GFEDLO C=C1CC[NH+](CC(=O)N(C)CC(=O)Nc2ccc(Br)cc2C)CC1 ZINC000533280426 564959560 /nfs/dbraw/zinc/95/95/60/564959560.db2.gz XPXYOEIOYZGPSS-UHFFFAOYSA-N 1 2 394.313 2.806 20 30 GFEDLO COc1ccc(Br)cc1C[N@H+](C)[C@H](C)C(=O)NC1(C#N)CCC1 ZINC000468956820 564999895 /nfs/dbraw/zinc/99/98/95/564999895.db2.gz MDZMCSBLCHRLGF-GFCCVEGCSA-N 1 2 380.286 2.840 20 30 GFEDLO COc1ccc(Br)cc1C[N@@H+](C)[C@H](C)C(=O)NC1(C#N)CCC1 ZINC000468956820 564999899 /nfs/dbraw/zinc/99/98/99/564999899.db2.gz MDZMCSBLCHRLGF-GFCCVEGCSA-N 1 2 380.286 2.840 20 30 GFEDLO N#Cc1ccc(S(=O)(=O)Nc2c[nH+]c3n2CCCC3)cc1Br ZINC000562540725 565032239 /nfs/dbraw/zinc/03/22/39/565032239.db2.gz FHOQLZSYIPOOET-UHFFFAOYSA-N 1 2 381.255 2.654 20 30 GFEDLO N#Cc1ccc(Br)cc1S(=O)(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591324590 565223748 /nfs/dbraw/zinc/22/37/48/565223748.db2.gz QTOMEQSMLRYILM-AWEZNQCLSA-N 1 2 395.282 2.543 20 30 GFEDLO N#Cc1cc(C[NH+]2CCOCC2)cn(Cc2cc(Cl)cc(Cl)c2)c1=O ZINC000594902357 565434673 /nfs/dbraw/zinc/43/46/73/565434673.db2.gz ZNZBQLZECCLBLC-UHFFFAOYSA-N 1 2 378.259 2.907 20 30 GFEDLO Cc1c(Br)cncc1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000596658669 565531827 /nfs/dbraw/zinc/53/18/27/565531827.db2.gz ZPNPACIQBORIMY-UHFFFAOYSA-N 1 2 399.292 2.982 20 30 GFEDLO N#CCc1cccc2c1CC[N@@H+](CC(=O)Nc1ccc(Br)cn1)C2 ZINC000599678555 565696615 /nfs/dbraw/zinc/69/66/15/565696615.db2.gz VLKVOEHJKNCRPZ-UHFFFAOYSA-N 1 2 385.265 2.907 20 30 GFEDLO N#CCc1cccc2c1CC[N@H+](CC(=O)Nc1ccc(Br)cn1)C2 ZINC000599678555 565696618 /nfs/dbraw/zinc/69/66/18/565696618.db2.gz VLKVOEHJKNCRPZ-UHFFFAOYSA-N 1 2 385.265 2.907 20 30 GFEDLO C[C@@H]1C[NH+](Cc2nnc(-c3ccc(Br)o3)o2)C[C@@H](C)N1CC#N ZINC000602857622 565872140 /nfs/dbraw/zinc/87/21/40/565872140.db2.gz UJKRCIKVCZGEKA-GHMZBOCLSA-N 1 2 380.246 2.510 20 30 GFEDLO CC(C)[C@H](C#N)N1CC[NH+](C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000609539363 566042587 /nfs/dbraw/zinc/04/25/87/566042587.db2.gz YNWMEZRIYKFLFA-PBHICJAKSA-N 1 2 386.323 2.899 20 30 GFEDLO CC[N@H+](CC(=O)Nc1oc(C)c(C)c1-c1nn[nH]n1)[C@@H](C)c1ccc(C#N)cc1 ZINC000821165584 607364491 /nfs/dbraw/zinc/36/44/91/607364491.db2.gz VDAJJMUCCAALNQ-ZDUSSCGKSA-N 1 2 393.451 2.970 20 30 GFEDLO CC[N@@H+](CC(=O)Nc1oc(C)c(C)c1-c1nn[nH]n1)[C@@H](C)c1ccc(C#N)cc1 ZINC000821165584 607364493 /nfs/dbraw/zinc/36/44/93/607364493.db2.gz VDAJJMUCCAALNQ-ZDUSSCGKSA-N 1 2 393.451 2.970 20 30 GFEDLO Cc1c(C(=O)C=Cc2cccc3[nH+]ccn32)cnn1-c1ccc(-c2nn[nH]n2)cc1 ZINC000826234139 608753323 /nfs/dbraw/zinc/75/33/23/608753323.db2.gz JNEDWUFYNJIYSA-KTKRTIGZSA-N 1 2 396.414 2.905 20 30 GFEDLO NC(=[NH+]OCC(=O)Nc1ccc(I)cc1)c1ccccc1 ZINC000005295573 654446836 /nfs/dbraw/zinc/44/68/36/654446836.db2.gz XYXYFTDZFDUFNT-UHFFFAOYSA-N 1 2 395.200 2.567 20 30 GFEDLO C=C(Br)CNC(=O)N1CC[NH+](Cc2ccc(OCC)cc2)CC1 ZINC000069118778 654973730 /nfs/dbraw/zinc/97/37/30/654973730.db2.gz QPJNRXLJHAFECS-UHFFFAOYSA-N 1 2 382.302 2.821 20 30 GFEDLO CN(C)S(=O)(=O)c1ccc(CO[NH+]=C(N)Cc2ccc(Cl)cc2)cc1 ZINC000120279016 655333788 /nfs/dbraw/zinc/33/37/88/655333788.db2.gz NEXUEDIEBNMVNU-UHFFFAOYSA-N 1 2 381.885 2.622 20 30 GFEDLO CN(CC[NH+]1CCOCC1)c1c(C#N)cnc2c(Br)cccc21 ZINC000576575774 655449171 /nfs/dbraw/zinc/44/91/71/655449171.db2.gz JNIOFCJTLHNWCC-UHFFFAOYSA-N 1 2 375.270 2.637 20 30 GFEDLO COc1ccc(N2CC[NH+](CCNc3snc(Cl)c3C#N)CC2)cc1 ZINC000742926499 655723659 /nfs/dbraw/zinc/72/36/59/655723659.db2.gz ACJJYLUBIOMFQS-UHFFFAOYSA-N 1 2 377.901 2.911 20 30 GFEDLO CCS(=O)(=O)Nc1ccc(C(=O)/C=C\c2ncc(C[NH+](C)C)s2)cc1 ZINC000794708888 658599697 /nfs/dbraw/zinc/59/96/97/658599697.db2.gz UXNWEZBMGUSJNA-KTKRTIGZSA-N 1 2 379.507 2.862 20 30 GFEDLO O=C1C=C([NH2+]Nc2ccc(S(=O)(=O)C(F)(F)F)cc2)[C@H]2CCCCN12 ZINC000799475735 659193058 /nfs/dbraw/zinc/19/30/58/659193058.db2.gz KJUBAAWMQMDNGQ-CYBMUJFWSA-N 1 2 375.372 2.533 20 30 GFEDLO C=C(Br)C[NH+]1CCC(N2C[C@@H](C(=O)OC(C)(C)C)CC2=O)CC1 ZINC000844360577 661416373 /nfs/dbraw/zinc/41/63/73/661416373.db2.gz OXBXOGOBJQGQFS-ZDUSSCGKSA-N 1 2 387.318 2.550 20 30 GFEDLO C#CCCCOc1ccc[nH+]c1NCCN(C)S(=O)(=O)c1cccs1 ZINC000853452864 661889260 /nfs/dbraw/zinc/88/92/60/661889260.db2.gz PMYGNMVFVKBANA-UHFFFAOYSA-N 1 2 379.507 2.668 20 30 GFEDLO COc1ccc(NC(=S)NN=C2CCC[N@@H+]3CCSC[C@@H]23)cc1OC ZINC000872332465 662760449 /nfs/dbraw/zinc/76/04/49/662760449.db2.gz LDQPUBQCANARLZ-AWEZNQCLSA-N 1 2 380.539 2.557 20 30 GFEDLO COc1ccc(NC(=S)NN=C2CCC[N@H+]3CCSC[C@@H]23)cc1OC ZINC000872332465 662760451 /nfs/dbraw/zinc/76/04/51/662760451.db2.gz LDQPUBQCANARLZ-AWEZNQCLSA-N 1 2 380.539 2.557 20 30 GFEDLO N#Cc1ccc(N2CC[NH+](Cc3cnn4cc(Br)cnc34)CC2)cc1 ZINC000877745448 662882623 /nfs/dbraw/zinc/88/26/23/662882623.db2.gz VFPBKHSDUIGGSY-UHFFFAOYSA-N 1 2 397.280 2.686 20 30 GFEDLO O=C(Cc1c[nH+]c[nH]1)N1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000885284120 663088287 /nfs/dbraw/zinc/08/82/87/663088287.db2.gz RDFXRRDQONRWOR-OCAPTIKFSA-N 1 2 377.235 2.582 20 30 GFEDLO N#Cc1cc(C[NH+]2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)cs1 ZINC000891593879 663345154 /nfs/dbraw/zinc/34/51/54/663345154.db2.gz KDXSEZUEBKJLHH-UHFFFAOYSA-N 1 2 379.482 2.702 20 30 GFEDLO C[C@@H](CNS(=O)(=O)Cc1csc(C#N)c1)[N@@H+]1CCc2sccc2C1 ZINC000913906364 664364885 /nfs/dbraw/zinc/36/48/85/664364885.db2.gz OOPNLQYDCLTGQL-LBPRGKRZSA-N 1 2 381.548 2.547 20 30 GFEDLO C[C@@H](CNS(=O)(=O)Cc1csc(C#N)c1)[N@H+]1CCc2sccc2C1 ZINC000913906364 664364887 /nfs/dbraw/zinc/36/48/87/664364887.db2.gz OOPNLQYDCLTGQL-LBPRGKRZSA-N 1 2 381.548 2.547 20 30 GFEDLO N#Cc1c(Cl)nccc1C(F)(F)N1CC[NH+](CCc2ccccn2)CC1 ZINC001165054496 722009286 /nfs/dbraw/zinc/00/92/86/722009286.db2.gz ZRLGUHFYZAUJHG-UHFFFAOYSA-N 1 2 377.826 2.911 20 30 GFEDLO C[C@@H](C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)[NH+]1CCSCC1 ZINC000542070828 532764320 /nfs/dbraw/zinc/76/43/20/532764320.db2.gz GYRFOXOZJFRYDK-LBPRGKRZSA-N 1 2 375.885 2.773 20 30 GFEDLO CCCCNC(=O)C[NH+]1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000120995886 551224806 /nfs/dbraw/zinc/22/48/06/551224806.db2.gz RSKHMHISQMQSIG-KRWDZBQOSA-N 1 2 393.329 2.548 20 30 GFEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](NS(=O)(=O)c3cccc(F)c3)C2)s1 ZINC000131485405 551374221 /nfs/dbraw/zinc/37/42/21/551374221.db2.gz UFKNIQGVBPAKIL-CQSZACIVSA-N 1 2 379.482 2.702 20 30 GFEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NS(=O)(=O)c3cccc(F)c3)C2)s1 ZINC000131485405 551374225 /nfs/dbraw/zinc/37/42/25/551374225.db2.gz UFKNIQGVBPAKIL-CQSZACIVSA-N 1 2 379.482 2.702 20 30 GFEDLO C[N@@H+]1CCN(S(=O)(=O)c2ccc(Cl)cc2C#N)[C@H](c2ccccc2)C1 ZINC000172986233 551691535 /nfs/dbraw/zinc/69/15/35/551691535.db2.gz BNHDNRYDWGHUKD-KRWDZBQOSA-N 1 2 375.881 2.889 20 30 GFEDLO C[N@H+]1CCN(S(=O)(=O)c2ccc(Cl)cc2C#N)[C@H](c2ccccc2)C1 ZINC000172986233 551691538 /nfs/dbraw/zinc/69/15/38/551691538.db2.gz BNHDNRYDWGHUKD-KRWDZBQOSA-N 1 2 375.881 2.889 20 30 GFEDLO N#Cc1ccc(S(=O)(=O)NCc2ccc(N3CCCC3)[nH+]c2)c(Cl)c1 ZINC000183469415 552310630 /nfs/dbraw/zinc/31/06/30/552310630.db2.gz BPAIIYWDRWIYHR-UHFFFAOYSA-N 1 2 376.869 2.685 20 30 GFEDLO N#Cc1ccc(Cl)c(S(=O)(=O)NCC[N@@H+]2CCc3sccc3C2)c1 ZINC000186394594 552387171 /nfs/dbraw/zinc/38/71/71/552387171.db2.gz XSPQHMFVRHYLGV-UHFFFAOYSA-N 1 2 381.910 2.610 20 30 GFEDLO N#Cc1ccc(Cl)c(S(=O)(=O)NCC[N@H+]2CCc3sccc3C2)c1 ZINC000186394594 552387172 /nfs/dbraw/zinc/38/71/72/552387172.db2.gz XSPQHMFVRHYLGV-UHFFFAOYSA-N 1 2 381.910 2.610 20 30 GFEDLO C=CCNC(=O)C[N@@H+](C)Cc1cccc(Br)c1OC[C@@H]1CCCO1 ZINC000190514365 552499576 /nfs/dbraw/zinc/49/95/76/552499576.db2.gz YUFCSPFPWOCGAU-HNNXBMFYSA-N 1 2 397.313 2.741 20 30 GFEDLO C=CCNC(=O)C[N@H+](C)Cc1cccc(Br)c1OC[C@@H]1CCCO1 ZINC000190514365 552499577 /nfs/dbraw/zinc/49/95/77/552499577.db2.gz YUFCSPFPWOCGAU-HNNXBMFYSA-N 1 2 397.313 2.741 20 30 GFEDLO C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)[N@H+]1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000295781672 563262318 /nfs/dbraw/zinc/26/23/18/563262318.db2.gz UGUQOMRCGPSFSW-OUCADQQQSA-N 1 2 375.416 2.778 20 30 GFEDLO C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000295781672 563262321 /nfs/dbraw/zinc/26/23/21/563262321.db2.gz UGUQOMRCGPSFSW-OUCADQQQSA-N 1 2 375.416 2.778 20 30 GFEDLO Cc1nsc(N2CCC[N@H+](CC(=O)Nc3nc4c(s3)CCC4)CC2)n1 ZINC000329805692 563488417 /nfs/dbraw/zinc/48/84/17/563488417.db2.gz KUYDDYHMUXIHGR-UHFFFAOYSA-N 1 2 378.527 2.592 20 30 GFEDLO Cc1nsc(N2CCC[N@@H+](CC(=O)Nc3nc4c(s3)CCC4)CC2)n1 ZINC000329805692 563488420 /nfs/dbraw/zinc/48/84/20/563488420.db2.gz KUYDDYHMUXIHGR-UHFFFAOYSA-N 1 2 378.527 2.592 20 30 GFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCN(c2cccc(Br)c2)CC1 ZINC000330504264 563508120 /nfs/dbraw/zinc/50/81/20/563508120.db2.gz HIHPWEUURBPWAD-GOSISDBHSA-N 1 2 393.329 2.626 20 30 GFEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H]1c1ccc(Br)c(C)c1 ZINC000430228711 563539598 /nfs/dbraw/zinc/53/95/98/563539598.db2.gz TXDFRAPALRKUFZ-OAHLLOKOSA-N 1 2 380.286 2.906 20 30 GFEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1c1ccc(Br)c(C)c1 ZINC000430228711 563539602 /nfs/dbraw/zinc/53/96/02/563539602.db2.gz TXDFRAPALRKUFZ-OAHLLOKOSA-N 1 2 380.286 2.906 20 30 GFEDLO CC(C)Oc1ccc(Br)cc1NC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000331227027 563541568 /nfs/dbraw/zinc/54/15/68/563541568.db2.gz YJMYNQCKJHSGFQ-AWEZNQCLSA-N 1 2 399.333 2.808 20 30 GFEDLO CC(C)Oc1ccc(Br)cc1NC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000331227027 563541570 /nfs/dbraw/zinc/54/15/70/563541570.db2.gz YJMYNQCKJHSGFQ-AWEZNQCLSA-N 1 2 399.333 2.808 20 30 GFEDLO Cn1cc[nH+]c1[C@@H](NS(=O)(=O)c1ccc(C#N)s1)c1ccc(F)cc1 ZINC000435446430 563652250 /nfs/dbraw/zinc/65/22/50/563652250.db2.gz KGGVEWFZHOKUAE-HNNXBMFYSA-N 1 2 376.438 2.560 20 30 GFEDLO N#Cc1ccc(NC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)cc1Cl ZINC000361651124 563700708 /nfs/dbraw/zinc/70/07/08/563700708.db2.gz AQWHPYYMXHGZJC-KRWDZBQOSA-N 1 2 380.901 2.541 20 30 GFEDLO CC(=O)c1cc(Br)cc(Cl)c1OC[C@H](O)C[N@H+](C)CCC#N ZINC000414155805 563721282 /nfs/dbraw/zinc/72/12/82/563721282.db2.gz VNLLKZPLGRFVPI-GFCCVEGCSA-N 1 2 389.677 2.890 20 30 GFEDLO CC(=O)c1cc(Br)cc(Cl)c1OC[C@H](O)C[N@@H+](C)CCC#N ZINC000414155805 563721283 /nfs/dbraw/zinc/72/12/83/563721283.db2.gz VNLLKZPLGRFVPI-GFCCVEGCSA-N 1 2 389.677 2.890 20 30 GFEDLO N#Cc1cccc(S(=O)(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)c1 ZINC000442792382 563779671 /nfs/dbraw/zinc/77/96/71/563779671.db2.gz OIKFNKAPUYZMMH-UHFFFAOYSA-N 1 2 375.881 2.548 20 30 GFEDLO N#Cc1cccc(S(=O)(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)c1 ZINC000442792382 563779674 /nfs/dbraw/zinc/77/96/74/563779674.db2.gz OIKFNKAPUYZMMH-UHFFFAOYSA-N 1 2 375.881 2.548 20 30 GFEDLO C[C@@H](CNS(=O)(=O)c1ccc(Cl)cc1C#N)[N@@H+]1CCc2sccc2C1 ZINC000443021246 563788003 /nfs/dbraw/zinc/78/80/03/563788003.db2.gz DCYDJGRDBSNCOB-LBPRGKRZSA-N 1 2 395.937 2.998 20 30 GFEDLO C[C@@H](CNS(=O)(=O)c1ccc(Cl)cc1C#N)[N@H+]1CCc2sccc2C1 ZINC000443021246 563788005 /nfs/dbraw/zinc/78/80/05/563788005.db2.gz DCYDJGRDBSNCOB-LBPRGKRZSA-N 1 2 395.937 2.998 20 30 GFEDLO N#Cc1c(Cl)cccc1S(=O)(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000443094020 563791855 /nfs/dbraw/zinc/79/18/55/563791855.db2.gz KISSACIJVRTTIE-UHFFFAOYSA-N 1 2 376.869 2.685 20 30 GFEDLO C=CCN1CC[C@H](N(CCn2cc[nH+]c2)Cc2ccc(Br)o2)C1=O ZINC000510922003 564350812 /nfs/dbraw/zinc/35/08/12/564350812.db2.gz QJSDIWGUPYEUKW-HNNXBMFYSA-N 1 2 393.285 2.528 20 30 GFEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)c2cccc(Br)c2Cl)c1C#N ZINC000543731474 564361748 /nfs/dbraw/zinc/36/17/48/564361748.db2.gz JYSFNWUFWSYPSE-UHFFFAOYSA-N 1 2 396.676 2.523 20 30 GFEDLO CC[C@H](C)[NH+]1CCN(S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000451975392 564374800 /nfs/dbraw/zinc/37/48/00/564374800.db2.gz VEEVNFPMAHZDOB-LBPRGKRZSA-N 1 2 375.416 2.682 20 30 GFEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH+](CCc3cccs3)CC2)cc1Cl ZINC000511859980 564384297 /nfs/dbraw/zinc/38/42/97/564384297.db2.gz QTLBHIYSZLSLNM-UHFFFAOYSA-N 1 2 395.937 2.822 20 30 GFEDLO COCC[C@@H](Cc1cccc(Br)c1)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000568396496 564417340 /nfs/dbraw/zinc/41/73/40/564417340.db2.gz KGVHNGPJSIULFZ-MAUKXSAKSA-N 1 2 396.329 2.604 20 30 GFEDLO N#Cc1ncc(NC(=O)N2CCC[N@H+](Cc3cscn3)CC2)cc1Cl ZINC000572718823 564607256 /nfs/dbraw/zinc/60/72/56/564607256.db2.gz CWKDYXGKMUDYKT-UHFFFAOYSA-N 1 2 376.873 2.803 20 30 GFEDLO N#Cc1ncc(NC(=O)N2CCC[N@@H+](Cc3cscn3)CC2)cc1Cl ZINC000572718823 564607259 /nfs/dbraw/zinc/60/72/59/564607259.db2.gz CWKDYXGKMUDYKT-UHFFFAOYSA-N 1 2 376.873 2.803 20 30 GFEDLO C[C@@H](NC(=O)Nc1ccc(C#N)c(Br)c1)[C@@H](C)[NH+]1CCOCC1 ZINC000487962208 564700785 /nfs/dbraw/zinc/70/07/85/564700785.db2.gz XZEDEEQRXMLNHM-VXGBXAGGSA-N 1 2 381.274 2.551 20 30 GFEDLO COCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000577312113 564733440 /nfs/dbraw/zinc/73/34/40/564733440.db2.gz VGNYKZCJCQXFHJ-HIFRSBDPSA-N 1 2 394.313 2.684 20 30 GFEDLO COCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000577312113 564733444 /nfs/dbraw/zinc/73/34/44/564733444.db2.gz VGNYKZCJCQXFHJ-HIFRSBDPSA-N 1 2 394.313 2.684 20 30 GFEDLO C[C@H](C#N)CNC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000578162658 564742144 /nfs/dbraw/zinc/74/21/44/564742144.db2.gz DGGKBNJHVBSSGA-GFCCVEGCSA-N 1 2 380.246 2.610 20 30 GFEDLO C=CCOc1c(Br)cc(C[NH+]2CC(C(=O)NCC)C2)cc1OC ZINC000459603971 564752714 /nfs/dbraw/zinc/75/27/14/564752714.db2.gz JHIODVNTQXBGPP-UHFFFAOYSA-N 1 2 383.286 2.590 20 30 GFEDLO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCSC[C@@H]2c2nccs2)cc1 ZINC000613751186 565079223 /nfs/dbraw/zinc/07/92/23/565079223.db2.gz JHOGKHGJHVGMKQ-DOTOQJQBSA-N 1 2 375.519 2.739 20 30 GFEDLO N#CCc1ccc(OC[C@@H](O)C[N@H+]2CCSC[C@@H]2c2nccs2)cc1 ZINC000613751186 565079228 /nfs/dbraw/zinc/07/92/28/565079228.db2.gz JHOGKHGJHVGMKQ-DOTOQJQBSA-N 1 2 375.519 2.739 20 30 GFEDLO N#Cc1cc(Br)ccc1CC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000592998392 565306237 /nfs/dbraw/zinc/30/62/37/565306237.db2.gz UAPXZSWXMDHDRS-UHFFFAOYSA-N 1 2 385.265 2.607 20 30 GFEDLO N#Cc1ccc(S(=O)(=O)NC[C@H]2CC[N@@H+]2Cc2ccccc2)cc1Cl ZINC000595395772 565472883 /nfs/dbraw/zinc/47/28/83/565472883.db2.gz NTVUFTWCVKNIHY-MRXNPFEDSA-N 1 2 375.881 2.764 20 30 GFEDLO N#Cc1ccc(S(=O)(=O)NC[C@H]2CC[N@H+]2Cc2ccccc2)cc1Cl ZINC000595395772 565472884 /nfs/dbraw/zinc/47/28/84/565472884.db2.gz NTVUFTWCVKNIHY-MRXNPFEDSA-N 1 2 375.881 2.764 20 30 GFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cc(-c2ccc(Br)cc2)no1 ZINC000598836188 565644292 /nfs/dbraw/zinc/64/42/92/565644292.db2.gz CCQSLTXUHHRLCR-MRXNPFEDSA-N 1 2 377.242 2.678 20 30 GFEDLO N#CCc1cccc2c1CC[N@@H+](Cc1ccc(Cl)c(S(N)(=O)=O)c1)C2 ZINC000602731715 565866863 /nfs/dbraw/zinc/86/68/63/565866863.db2.gz XIFPASKXIQNALH-UHFFFAOYSA-N 1 2 375.881 2.612 20 30 GFEDLO N#CCc1cccc2c1CC[N@H+](Cc1ccc(Cl)c(S(N)(=O)=O)c1)C2 ZINC000602731715 565866867 /nfs/dbraw/zinc/86/68/67/565866867.db2.gz XIFPASKXIQNALH-UHFFFAOYSA-N 1 2 375.881 2.612 20 30 GFEDLO Cc1oc(NC(=O)C[N@H+](Cc2ccc(C#N)cc2)C2CC2)c(-c2nn[nH]n2)c1C ZINC000822548022 607365268 /nfs/dbraw/zinc/36/52/68/607365268.db2.gz DOKYAMRWSCYLCP-UHFFFAOYSA-N 1 2 391.435 2.551 20 30 GFEDLO Cc1oc(NC(=O)C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)c(-c2nn[nH]n2)c1C ZINC000822548022 607365270 /nfs/dbraw/zinc/36/52/70/607365270.db2.gz DOKYAMRWSCYLCP-UHFFFAOYSA-N 1 2 391.435 2.551 20 30 GFEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824047256 608465439 /nfs/dbraw/zinc/46/54/39/608465439.db2.gz ZFOGSNWTYPBBIF-OAHLLOKOSA-N 1 2 399.458 2.855 20 30 GFEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824047256 608465440 /nfs/dbraw/zinc/46/54/40/608465440.db2.gz ZFOGSNWTYPBBIF-OAHLLOKOSA-N 1 2 399.458 2.855 20 30 GFEDLO C=C[C@@H]1OCC[C@H]1C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000830139228 660637684 /nfs/dbraw/zinc/63/76/84/660637684.db2.gz YMNLVJPQQICVGZ-PBHICJAKSA-N 1 2 394.313 2.731 20 30 GFEDLO C[C@H](O[NH+]=C(N)Cc1cccnc1)C(=O)Nc1cccc(Br)c1 ZINC000137659195 655041354 /nfs/dbraw/zinc/04/13/54/655041354.db2.gz PTXUFFJAYVNZNL-NSHDSACASA-N 1 2 377.242 2.703 20 30 GFEDLO C=CCOc1c(Br)cc(C[N@@H+]2CC[C@@H](NC(N)=O)C2)cc1OCC ZINC000271267219 655073656 /nfs/dbraw/zinc/07/36/56/655073656.db2.gz IPPYBKFSTQTZHY-CYBMUJFWSA-N 1 2 398.301 2.655 20 30 GFEDLO C=CCOc1c(Br)cc(C[N@H+]2CC[C@@H](NC(N)=O)C2)cc1OCC ZINC000271267219 655073658 /nfs/dbraw/zinc/07/36/58/655073658.db2.gz IPPYBKFSTQTZHY-CYBMUJFWSA-N 1 2 398.301 2.655 20 30 GFEDLO CC(=O)c1cccc(NC(=O)CO[NH+]=C(N)c2ccc(Br)cc2)c1 ZINC000782948651 657195597 /nfs/dbraw/zinc/19/55/97/657195597.db2.gz NQRQCGVLPUJBRL-UHFFFAOYSA-N 1 2 390.237 2.927 20 30 GFEDLO Cc1ccn2c(c1)nc(CO[NH+]=C(N)c1ccc(Br)cc1)cc2=O ZINC000782947949 657195878 /nfs/dbraw/zinc/19/58/78/657195878.db2.gz GVKHJLPAKLKBBY-UHFFFAOYSA-N 1 2 387.237 2.603 20 30 GFEDLO N#Cc1ccc(N2CC[NH+](C[C@H](O)c3ccccc3Br)CC2)cn1 ZINC000801552172 659403991 /nfs/dbraw/zinc/40/39/91/659403991.db2.gz AYSXNRFRWHHMSB-SFHVURJKSA-N 1 2 387.281 2.571 20 30 GFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(Br)s3)n2CC)CC1 ZINC000801928961 659433750 /nfs/dbraw/zinc/43/37/50/659433750.db2.gz CSHIHUDJZKIYHK-UHFFFAOYSA-N 1 2 380.315 2.544 20 30 GFEDLO N#Cc1nc(NC(=O)N2CCC(n3cc[nH+]c3)CC2)ccc1Br ZINC000883084306 663048272 /nfs/dbraw/zinc/04/82/72/663048272.db2.gz NRJGBRRLQHKTTF-UHFFFAOYSA-N 1 2 375.230 2.781 20 30 GFEDLO C=CCC1(O)CC[NH+](CN2C(=O)N[C@](C)(c3ccc(Cl)s3)C2=O)CC1 ZINC000884479049 663071242 /nfs/dbraw/zinc/07/12/42/663071242.db2.gz ULWUIEVNXFNKGW-MRXNPFEDSA-N 1 2 383.901 2.529 20 30 GFEDLO C=CCOc1c(Br)cc(C[NH2+][C@H](C)C2N=NC(=O)N2C)cc1OC ZINC000895182837 663502196 /nfs/dbraw/zinc/50/21/96/663502196.db2.gz DZDZIOTVAKAHQQ-SNVBAGLBSA-N 1 2 397.273 2.707 20 30 GFEDLO CCOc1ccccc1N1CC[NH+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)CC1 ZINC000021846859 209175320 /nfs/dbraw/zinc/17/53/20/209175320.db2.gz GIXWBXCZHMJSFF-SFHVURJKSA-N 1 2 384.524 2.938 20 30 GFEDLO Cc1csc(C2CC[NH+](CCS(=O)(=O)c3cccc(C#N)c3)CC2)n1 ZINC000128554684 551350653 /nfs/dbraw/zinc/35/06/53/551350653.db2.gz ITPYBUOBAFNCGH-UHFFFAOYSA-N 1 2 375.519 2.977 20 30 GFEDLO CN(C(=O)C[N@H+](C)Cc1cc(Br)cn1C)C1(C#N)CCCCC1 ZINC000151482937 551414521 /nfs/dbraw/zinc/41/45/21/551414521.db2.gz KQZSLXHDUDAVEN-UHFFFAOYSA-N 1 2 381.318 2.904 20 30 GFEDLO CN(C(=O)C[N@@H+](C)Cc1cc(Br)cn1C)C1(C#N)CCCCC1 ZINC000151482937 551414523 /nfs/dbraw/zinc/41/45/23/551414523.db2.gz KQZSLXHDUDAVEN-UHFFFAOYSA-N 1 2 381.318 2.904 20 30 GFEDLO Cn1c(Cl)cnc1C[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000183289006 552305009 /nfs/dbraw/zinc/30/50/09/552305009.db2.gz SOINGSXTIPXHCN-UHFFFAOYSA-N 1 2 377.901 2.956 20 30 GFEDLO Cn1c(Cl)cnc1C[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000183289006 552305012 /nfs/dbraw/zinc/30/50/12/552305012.db2.gz SOINGSXTIPXHCN-UHFFFAOYSA-N 1 2 377.901 2.956 20 30 GFEDLO N#Cc1ccc(Br)c(C[N@@H+]2CCCC[C@@H]2C(=O)N2CCOCC2)c1 ZINC000191781937 552537807 /nfs/dbraw/zinc/53/78/07/552537807.db2.gz OJMGBWKSZMYSLI-QGZVFWFLSA-N 1 2 392.297 2.534 20 30 GFEDLO N#Cc1ccc(Br)c(C[N@H+]2CCCC[C@@H]2C(=O)N2CCOCC2)c1 ZINC000191781937 552537808 /nfs/dbraw/zinc/53/78/08/552537808.db2.gz OJMGBWKSZMYSLI-QGZVFWFLSA-N 1 2 392.297 2.534 20 30 GFEDLO C[N@@H+](CC(=O)Nc1sccc1C#N)C[C@@H](O)c1ccccc1Br ZINC000295364908 563243674 /nfs/dbraw/zinc/24/36/74/563243674.db2.gz PIGWMMLWHIXDPD-CQSZACIVSA-N 1 2 394.294 2.986 20 30 GFEDLO C[N@H+](CC(=O)Nc1sccc1C#N)C[C@@H](O)c1ccccc1Br ZINC000295364908 563243677 /nfs/dbraw/zinc/24/36/77/563243677.db2.gz PIGWMMLWHIXDPD-CQSZACIVSA-N 1 2 394.294 2.986 20 30 GFEDLO C[C@H]1CN(c2ccc(CNc3ncc(Br)cc3C#N)c[nH+]2)CCO1 ZINC000296194047 563278224 /nfs/dbraw/zinc/27/82/24/563278224.db2.gz BQZGUAXBYNVIAX-LBPRGKRZSA-N 1 2 388.269 2.948 20 30 GFEDLO C[N@@H+](Cc1cc(C#N)ccc1Br)C[C@H](O)CNC(=O)OC(C)(C)C ZINC000296837839 563304134 /nfs/dbraw/zinc/30/41/34/563304134.db2.gz SNLDLGWMRPZFDW-CQSZACIVSA-N 1 2 398.301 2.638 20 30 GFEDLO C[N@H+](Cc1cc(C#N)ccc1Br)C[C@H](O)CNC(=O)OC(C)(C)C ZINC000296837839 563304138 /nfs/dbraw/zinc/30/41/38/563304138.db2.gz SNLDLGWMRPZFDW-CQSZACIVSA-N 1 2 398.301 2.638 20 30 GFEDLO C=CCOc1c(Br)cc(C[N@@H+]2CC[C@H](NC(C)=O)C2)cc1OC ZINC000421384295 563308847 /nfs/dbraw/zinc/30/88/47/563308847.db2.gz DVSOFHLLKYAUNS-AWEZNQCLSA-N 1 2 383.286 2.733 20 30 GFEDLO C=CCOc1c(Br)cc(C[N@H+]2CC[C@H](NC(C)=O)C2)cc1OC ZINC000421384295 563308849 /nfs/dbraw/zinc/30/88/49/563308849.db2.gz DVSOFHLLKYAUNS-AWEZNQCLSA-N 1 2 383.286 2.733 20 30 GFEDLO C=CCCn1cc(C(=O)NCc2cn3cc(Br)cc(C)c3[nH+]2)nn1 ZINC000424770651 563391208 /nfs/dbraw/zinc/39/12/08/563391208.db2.gz BXNJCHASSVMVDS-UHFFFAOYSA-N 1 2 389.257 2.503 20 30 GFEDLO N#Cc1ncn(C2CC[NH+](CC(=O)Nc3cccc(Cl)c3Cl)CC2)n1 ZINC000375918338 563423262 /nfs/dbraw/zinc/42/32/62/563423262.db2.gz GCSTWCNGZNWEKX-UHFFFAOYSA-N 1 2 379.251 2.732 20 30 GFEDLO Cc1nc(C[NH+]2CCC(CNS(=O)(=O)CCC(C)(C)C#N)CC2)cs1 ZINC000377840684 563487880 /nfs/dbraw/zinc/48/78/80/563487880.db2.gz UPDWASVHCYOSDX-UHFFFAOYSA-N 1 2 384.571 2.523 20 30 GFEDLO Cc1noc([C@H]2C[N@@H+](Cc3cc(C#N)ccc3Br)CCN2C)n1 ZINC000285052248 563501069 /nfs/dbraw/zinc/50/10/69/563501069.db2.gz WSGGLZMLMMNDEX-OAHLLOKOSA-N 1 2 376.258 2.501 20 30 GFEDLO Cc1noc([C@H]2C[N@H+](Cc3cc(C#N)ccc3Br)CCN2C)n1 ZINC000285052248 563501070 /nfs/dbraw/zinc/50/10/70/563501070.db2.gz WSGGLZMLMMNDEX-OAHLLOKOSA-N 1 2 376.258 2.501 20 30 GFEDLO O=C(NCC[NH+]1CCOCC1)Nc1cc(F)c(Br)cc1Cl ZINC000331264232 563542890 /nfs/dbraw/zinc/54/28/90/563542890.db2.gz ONGQXXYLOAESPP-UHFFFAOYSA-N 1 2 380.645 2.900 20 30 GFEDLO CC(C)OCC[NH+]1CCN(C(=O)c2cccc(C#N)c2Br)CC1 ZINC000331303951 563544982 /nfs/dbraw/zinc/54/49/82/563544982.db2.gz DBRXPORDVLDYJP-UHFFFAOYSA-N 1 2 380.286 2.504 20 30 GFEDLO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1S(=O)(=O)c1cccc(Br)c1C#N ZINC000408115841 563545447 /nfs/dbraw/zinc/54/54/47/563545447.db2.gz QWDVQTPGFSXPPS-STQMWFEESA-N 1 2 398.326 2.568 20 30 GFEDLO C[C@H]1C[N@H+]2CCCC[C@H]2CN1S(=O)(=O)c1cccc(Br)c1C#N ZINC000408115841 563545449 /nfs/dbraw/zinc/54/54/49/563545449.db2.gz QWDVQTPGFSXPPS-STQMWFEESA-N 1 2 398.326 2.568 20 30 GFEDLO CN(C)c1[nH+]cccc1N(C)S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000432956539 563598191 /nfs/dbraw/zinc/59/81/91/563598191.db2.gz UCSFULGIGFMPAQ-UHFFFAOYSA-N 1 2 395.282 2.607 20 30 GFEDLO Cc1oc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ncc(Br)cn2)c(C#N)c1C ZINC000433008323 563600429 /nfs/dbraw/zinc/60/04/29/563600429.db2.gz OEFGNCYHMGPCHM-VHSXEESVSA-N 1 2 392.257 2.998 20 30 GFEDLO C=CCOc1c(Br)cc(C[N@@H+]2CCNC(=O)C[C@H]2C)cc1OC ZINC000367667641 563851709 /nfs/dbraw/zinc/85/17/09/563851709.db2.gz CFKGUQBEBMCSOQ-GFCCVEGCSA-N 1 2 383.286 2.733 20 30 GFEDLO C=CCOc1c(Br)cc(C[N@H+]2CCNC(=O)C[C@H]2C)cc1OC ZINC000367667641 563851710 /nfs/dbraw/zinc/85/17/10/563851710.db2.gz CFKGUQBEBMCSOQ-GFCCVEGCSA-N 1 2 383.286 2.733 20 30 GFEDLO N#Cc1c(Br)cccc1OCC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000449835901 564204422 /nfs/dbraw/zinc/20/44/22/564204422.db2.gz QVQNSOBGIKMQMN-LBPRGKRZSA-N 1 2 389.253 2.829 20 30 GFEDLO N#Cc1c(Br)cccc1OCC(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000449826557 564204502 /nfs/dbraw/zinc/20/45/02/564204502.db2.gz JYIUIXWJQMKODL-UHFFFAOYSA-N 1 2 389.253 2.549 20 30 GFEDLO CC[NH+](CC)[C@H](CNS(=O)(=O)N(C)[C@H](C)CC#N)c1ccccc1Cl ZINC000509428417 564298715 /nfs/dbraw/zinc/29/87/15/564298715.db2.gz DBHBIKOBGNAPPY-RHSMWYFYSA-N 1 2 386.949 2.791 20 30 GFEDLO Cc1cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)c2ccc(Br)cc2n1 ZINC000566307804 564322268 /nfs/dbraw/zinc/32/22/68/564322268.db2.gz AGBFEJZMLKUOJG-QGZVFWFLSA-N 1 2 375.270 2.879 20 30 GFEDLO Cn1cc[nH+]c1[C@H]1N(S(=O)(=O)c2ccc(CC#N)cc2Cl)CC1(C)C ZINC000566837964 564345641 /nfs/dbraw/zinc/34/56/41/564345641.db2.gz UBXHLHMILDRYHZ-OAHLLOKOSA-N 1 2 378.885 2.911 20 30 GFEDLO CCn1cc[nH+]c1[C@@H](C)NS(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000451928852 564368538 /nfs/dbraw/zinc/36/85/38/564368538.db2.gz MZNWDJZQDPEMDD-SNVBAGLBSA-N 1 2 383.271 2.577 20 30 GFEDLO CC[C@H]1C[N@H+](CC)CCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000451927527 564368604 /nfs/dbraw/zinc/36/86/04/564368604.db2.gz BZGLASKRTCNAMX-AWEZNQCLSA-N 1 2 375.416 2.682 20 30 GFEDLO CC[C@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000451927527 564368606 /nfs/dbraw/zinc/36/86/06/564368606.db2.gz BZGLASKRTCNAMX-AWEZNQCLSA-N 1 2 375.416 2.682 20 30 GFEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)CCSc1cccc(Cl)c1 ZINC000516212062 564497041 /nfs/dbraw/zinc/49/70/41/564497041.db2.gz OBTPJBUCLIVLJD-UHFFFAOYSA-N 1 2 381.929 2.897 20 30 GFEDLO N#Cc1ccc(S(=O)(=O)CC[NH2+]Cc2nc(C(F)(F)F)cs2)cc1 ZINC000517025007 564521539 /nfs/dbraw/zinc/52/15/39/564521539.db2.gz HCUDHUZJQKFVAK-UHFFFAOYSA-N 1 2 375.397 2.597 20 30 GFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cc(Br)ccc1OC(F)F ZINC000570850060 564524432 /nfs/dbraw/zinc/52/44/32/564524432.db2.gz VVWFIDFNXZRMLK-AWEZNQCLSA-N 1 2 376.201 2.624 20 30 GFEDLO N#Cc1ccc(CNC(=O)C[NH2+][C@@H](CO)c2c(Cl)cccc2Cl)cc1 ZINC000483227676 564560526 /nfs/dbraw/zinc/56/05/26/564560526.db2.gz CAWDBITYACFZHS-INIZCTEOSA-N 1 2 378.259 2.804 20 30 GFEDLO N#Cc1ccc(OCC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc1Br ZINC000572710976 564607484 /nfs/dbraw/zinc/60/74/84/564607484.db2.gz UVWADAJJTMNPJT-UHFFFAOYSA-N 1 2 389.253 2.829 20 30 GFEDLO N#Cc1ccc(OCC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc1Br ZINC000572710976 564607490 /nfs/dbraw/zinc/60/74/90/564607490.db2.gz UVWADAJJTMNPJT-UHFFFAOYSA-N 1 2 389.253 2.829 20 30 GFEDLO C=C(C)[C@H](CC(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1)OCC ZINC000456993929 564642056 /nfs/dbraw/zinc/64/20/56/564642056.db2.gz YKHAQGAZEGVTDU-HNNXBMFYSA-N 1 2 398.301 2.991 20 30 GFEDLO C[NH+](C)Cc1csc(NC(=O)COc2cccc(Br)c2C#N)n1 ZINC000457282302 564654079 /nfs/dbraw/zinc/65/40/79/564654079.db2.gz BUTLFZBFIYIFQN-UHFFFAOYSA-N 1 2 395.282 2.856 20 30 GFEDLO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(F)c(C#N)c1)c1ccccc1Cl ZINC000488935238 564724546 /nfs/dbraw/zinc/72/45/46/564724546.db2.gz BDHHHNUYQNBNCL-QGZVFWFLSA-N 1 2 381.860 2.932 20 30 GFEDLO C=CCCCS(=O)(=O)NCCC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000489112221 564729764 /nfs/dbraw/zinc/72/97/64/564729764.db2.gz BNOGOSPLVGXKLM-UHFFFAOYSA-N 1 2 385.961 2.738 20 30 GFEDLO C=CCOCC[N@H+](CCN1CCOCC1)Cc1sccc1Br ZINC000555527267 564795978 /nfs/dbraw/zinc/79/59/78/564795978.db2.gz ACNMPFKSXCQXDS-UHFFFAOYSA-N 1 2 389.359 2.847 20 30 GFEDLO C=CCOCC[N@@H+](CCN1CCOCC1)Cc1sccc1Br ZINC000555527267 564795981 /nfs/dbraw/zinc/79/59/81/564795981.db2.gz ACNMPFKSXCQXDS-UHFFFAOYSA-N 1 2 389.359 2.847 20 30 GFEDLO N#Cc1ccc([C@H]([NH2+]Cc2cc(Br)cc3c2OCC3)C(N)=O)cc1 ZINC000462371024 564836092 /nfs/dbraw/zinc/83/60/92/564836092.db2.gz PEPJAXNSVNZATI-INIZCTEOSA-N 1 2 386.249 2.572 20 30 GFEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)C1=O ZINC000500017217 564943189 /nfs/dbraw/zinc/94/31/89/564943189.db2.gz IVLGUDPMMQAONK-WBMJQRKESA-N 1 2 384.307 2.889 20 30 GFEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)C1=O ZINC000500017217 564943192 /nfs/dbraw/zinc/94/31/92/564943192.db2.gz IVLGUDPMMQAONK-WBMJQRKESA-N 1 2 384.307 2.889 20 30 GFEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)c2ccc(Cl)c(Br)c2)c1C#N ZINC000536306234 565034432 /nfs/dbraw/zinc/03/44/32/565034432.db2.gz ISGDCPUZSKZGSN-UHFFFAOYSA-N 1 2 396.676 2.523 20 30 GFEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCSC[C@@H]1CCO ZINC000470200969 565040709 /nfs/dbraw/zinc/04/07/09/565040709.db2.gz FDUUJATXWDSUMD-GJZGRUSLSA-N 1 2 379.551 2.819 20 30 GFEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCSC[C@@H]1CCO ZINC000470200969 565040713 /nfs/dbraw/zinc/04/07/13/565040713.db2.gz FDUUJATXWDSUMD-GJZGRUSLSA-N 1 2 379.551 2.819 20 30 GFEDLO N#Cc1ccc(CNC(=O)NC[C@H](c2cccs2)[NH+]2CCOCC2)s1 ZINC000562931920 565048623 /nfs/dbraw/zinc/04/86/23/565048623.db2.gz UMCZDEKXRVSGJL-OAHLLOKOSA-N 1 2 376.507 2.554 20 30 GFEDLO Cc1cc(Br)cn2cc(CCNC(=O)N3CC[C@@](F)(C#N)C3)[nH+]c12 ZINC000615548527 565165262 /nfs/dbraw/zinc/16/52/62/565165262.db2.gz BTDWAVMQMLRIMZ-MRXNPFEDSA-N 1 2 394.248 2.595 20 30 GFEDLO N#CCc1cccc(S(=O)(=O)Nc2nc(C[NH+]3CCCCC3)cs2)c1 ZINC000589585894 565166128 /nfs/dbraw/zinc/16/61/28/565166128.db2.gz QVEPDHPEDANOTN-UHFFFAOYSA-N 1 2 376.507 2.996 20 30 GFEDLO Cc1ccc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)c(C)c1Br ZINC000616291416 565197393 /nfs/dbraw/zinc/19/73/93/565197393.db2.gz PIBYOWWBXANNGO-UHFFFAOYSA-N 1 2 394.313 2.754 20 30 GFEDLO CC#CC[NH2+]Cc1cn(CC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)nn1 ZINC000640838529 565329977 /nfs/dbraw/zinc/32/99/77/565329977.db2.gz IJXIMIWMZNRJFB-LBPRGKRZSA-N 1 2 380.279 2.575 20 30 GFEDLO C[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccsc2C#N)[C@H]1c1ccc(F)c(F)c1 ZINC000593568456 565342940 /nfs/dbraw/zinc/34/29/40/565342940.db2.gz HSMWORKVCMAWII-CZUORRHYSA-N 1 2 383.445 2.622 20 30 GFEDLO N#CCc1cccc2c1CC[N@@H+](Cc1ccc(S(N)(=O)=O)c(Cl)c1)C2 ZINC000602728616 565864982 /nfs/dbraw/zinc/86/49/82/565864982.db2.gz BUOZNJYWJHGHTH-UHFFFAOYSA-N 1 2 375.881 2.612 20 30 GFEDLO N#CCc1cccc2c1CC[N@H+](Cc1ccc(S(N)(=O)=O)c(Cl)c1)C2 ZINC000602728616 565864987 /nfs/dbraw/zinc/86/49/87/565864987.db2.gz BUOZNJYWJHGHTH-UHFFFAOYSA-N 1 2 375.881 2.612 20 30 GFEDLO Cn1ccnc1[C@H]([NH2+]Cc1ccc(C#N)cc1Br)C(C)(C)CO ZINC000602881186 565873204 /nfs/dbraw/zinc/87/32/04/565873204.db2.gz JSKFBWDMQMKYOE-HNNXBMFYSA-N 1 2 377.286 2.904 20 30 GFEDLO N#Cc1cc(NCc2cc[nH+]c(N3CCSCC3)c2)ncc1Br ZINC000603417424 565903423 /nfs/dbraw/zinc/90/34/23/565903423.db2.gz ZHOAFSRTEFTECN-UHFFFAOYSA-N 1 2 390.310 2.698 20 30 GFEDLO N#Cc1ccc(N[C@H]2CCCN(CC[NH+]3CCOCC3)C2)c(Br)c1 ZINC000603424497 565904586 /nfs/dbraw/zinc/90/45/86/565904586.db2.gz YSNHRNULJYQLBG-INIZCTEOSA-N 1 2 393.329 2.529 20 30 GFEDLO C=C(C)C[C@@H]1NC(=O)N(CCc2cn3cc(Br)cc(C)c3[nH+]2)C1=O ZINC000630977525 565930216 /nfs/dbraw/zinc/93/02/16/565930216.db2.gz DQWPXUFXZXOQIF-AWEZNQCLSA-N 1 2 391.269 2.834 20 30 GFEDLO CC(C)[C@@H](C#N)N1CC[NH+](C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000609539365 566043274 /nfs/dbraw/zinc/04/32/74/566043274.db2.gz YNWMEZRIYKFLFA-WMLDXEAASA-N 1 2 386.323 2.899 20 30 GFEDLO Cc1cc(Br)cn2cc(CCNC(=O)c3ccc(C#N)nc3)[nH+]c12 ZINC000612491929 566164461 /nfs/dbraw/zinc/16/44/61/566164461.db2.gz GYYWNKFKCLOWPG-UHFFFAOYSA-N 1 2 384.237 2.644 20 30 GFEDLO C[NH+](C)Cc1ccc(C(N)=[NH+]OCCOc2ccc(C(=O)[O-])cc2Cl)cc1 ZINC000830620277 601353310 /nfs/dbraw/zinc/35/33/10/601353310.db2.gz SVOXQOOMKXRDTD-UHFFFAOYSA-N 1 2 391.855 2.816 20 30 GFEDLO C#CCO[C@@H](C)C(=O)N(CCn1cc[nH+]c1)Cc1ccccc1Br ZINC000820043381 660279222 /nfs/dbraw/zinc/27/92/22/660279222.db2.gz UZMDGEDZNZTVQY-HNNXBMFYSA-N 1 2 390.281 2.713 20 30 GFEDLO C#CC[NH+]1CCN(Cn2nc(-c3ccccc3Br)[nH]c2=S)CC1 ZINC000124341694 654774638 /nfs/dbraw/zinc/77/46/38/654774638.db2.gz PGHLGYASVDBXRM-UHFFFAOYSA-N 1 2 392.326 2.578 20 30 GFEDLO C[N@H+](CC(=O)Nc1sccc1C#N)[C@@H](CO)c1cccc(Br)c1 ZINC000125794860 654802343 /nfs/dbraw/zinc/80/23/43/654802343.db2.gz JTQRLIDQUPDORH-AWEZNQCLSA-N 1 2 394.294 2.986 20 30 GFEDLO C[N@@H+](CC(=O)Nc1sccc1C#N)[C@@H](CO)c1cccc(Br)c1 ZINC000125794860 654802346 /nfs/dbraw/zinc/80/23/46/654802346.db2.gz JTQRLIDQUPDORH-AWEZNQCLSA-N 1 2 394.294 2.986 20 30 GFEDLO Cc1cc(Br)cn2cc(CCNC(=O)N(C)C[C@@H](C)C#N)[nH+]c12 ZINC000273410295 655142721 /nfs/dbraw/zinc/14/27/21/655142721.db2.gz CNOFNSIQEKQXGS-NSHDSACASA-N 1 2 378.274 2.749 20 30 GFEDLO C[C@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC[S@@]1=O ZINC000277260583 655310072 /nfs/dbraw/zinc/31/00/72/655310072.db2.gz QVXGYIBBYDECRV-CANCMXDXSA-N 1 2 379.551 2.670 20 30 GFEDLO C[C@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC[S@@]1=O ZINC000277260583 655310074 /nfs/dbraw/zinc/31/00/74/655310074.db2.gz QVXGYIBBYDECRV-CANCMXDXSA-N 1 2 379.551 2.670 20 30 GFEDLO C[N@@H+](CC(=O)Nc1ccccc1Br)C[C@H](O)c1ccc(C#N)cc1 ZINC000121637148 655350493 /nfs/dbraw/zinc/35/04/93/655350493.db2.gz QFCVVLVCSKKXEP-KRWDZBQOSA-N 1 2 388.265 2.925 20 30 GFEDLO C[N@H+](CC(=O)Nc1ccccc1Br)C[C@H](O)c1ccc(C#N)cc1 ZINC000121637148 655350498 /nfs/dbraw/zinc/35/04/98/655350498.db2.gz QFCVVLVCSKKXEP-KRWDZBQOSA-N 1 2 388.265 2.925 20 30 GFEDLO Oc1ccc(Br)cc1/C=N\C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000255232021 655437899 /nfs/dbraw/zinc/43/78/99/655437899.db2.gz KYJJXEBNPNYFTG-PMFHANACSA-N 1 2 385.327 2.782 20 30 GFEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1nc2cc(Br)ccc2n1CC ZINC000768909551 656260106 /nfs/dbraw/zinc/26/01/06/656260106.db2.gz LTINRMWCKUTCOC-HNNXBMFYSA-N 1 2 375.270 2.855 20 30 GFEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1nc2cc(Br)ccc2n1CC ZINC000768909551 656260115 /nfs/dbraw/zinc/26/01/15/656260115.db2.gz LTINRMWCKUTCOC-HNNXBMFYSA-N 1 2 375.270 2.855 20 30 GFEDLO Cc1nn(C)c(N2CCOCC2)c1C=[NH+]Nc1ccc(Br)c(F)c1 ZINC000769827774 656293699 /nfs/dbraw/zinc/29/36/99/656293699.db2.gz JTWMXVIEWSGRGI-UHFFFAOYSA-N 1 2 396.264 2.913 20 30 GFEDLO C[NH+]1CCN(c2ccc(NC(=O)c3cc(C#N)c[nH]3)cc2Br)CC1 ZINC000787532241 657564674 /nfs/dbraw/zinc/56/46/74/657564674.db2.gz GWUSGSLVKTUCNQ-UHFFFAOYSA-N 1 2 388.269 2.653 20 30 GFEDLO C#Cc1ccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Br)c2)cn1 ZINC000787537218 657567712 /nfs/dbraw/zinc/56/77/12/657567712.db2.gz VEKBTNAKPSUQRZ-UHFFFAOYSA-N 1 2 399.292 2.830 20 30 GFEDLO N#Cc1ccc(N2CC[NH+](C[C@H](O)c3cccc(Br)c3)CC2)cn1 ZINC000801553692 659403939 /nfs/dbraw/zinc/40/39/39/659403939.db2.gz UBIKVQKWWIYLGO-SFHVURJKSA-N 1 2 387.281 2.571 20 30 GFEDLO C#CCCCS(=O)(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000805035630 659723362 /nfs/dbraw/zinc/72/33/62/659723362.db2.gz OQNVTQAXGBWLCA-UHFFFAOYSA-N 1 2 399.354 2.746 20 30 GFEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(Br)Br)C1=O ZINC000852337634 661861717 /nfs/dbraw/zinc/86/17/17/661861717.db2.gz WYHOBXCNTXZGIR-LOWVWBTDSA-N 1 2 392.135 2.601 20 30 GFEDLO C=CCN1CC[C@H]([N@H+]2CC[C@@]3(C)[C@@H](C2)C3(Br)Br)C1=O ZINC000852337634 661861718 /nfs/dbraw/zinc/86/17/18/661861718.db2.gz WYHOBXCNTXZGIR-LOWVWBTDSA-N 1 2 392.135 2.601 20 30 GFEDLO N#Cc1ncc(Br)cc1N1CCC[N@H+](Cc2cscn2)CC1 ZINC000853259349 661886514 /nfs/dbraw/zinc/88/65/14/661886514.db2.gz BKHZQAMZSLMLAC-UHFFFAOYSA-N 1 2 378.299 2.885 20 30 GFEDLO N#Cc1ncc(Br)cc1N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000853259349 661886515 /nfs/dbraw/zinc/88/65/15/661886515.db2.gz BKHZQAMZSLMLAC-UHFFFAOYSA-N 1 2 378.299 2.885 20 30 GFEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@H]1c1ccc(Br)cc1 ZINC000884098973 663065105 /nfs/dbraw/zinc/06/51/05/663065105.db2.gz ZXFLLAVMJXVBNX-GJZGRUSLSA-N 1 2 381.270 2.559 20 30 GFEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1C[C@@H](c2ccc(Br)cc2)C[C@@H]1C ZINC000884440206 663070777 /nfs/dbraw/zinc/07/07/77/663070777.db2.gz APVGKLIKWAYOBG-NOLJZWGESA-N 1 2 395.297 2.600 20 30 GFEDLO C=CCOc1ccccc1C[NH2+]Cc1cn(C)nc1I ZINC000894261923 663451670 /nfs/dbraw/zinc/45/16/70/663451670.db2.gz WTONWFUQGWHWGG-UHFFFAOYSA-N 1 2 383.233 2.879 20 30 GFEDLO C=CCOC(=O)[C@@H]([NH3+])Cc1nc([C@@H](CC)c2ccc(Br)cc2)no1 ZINC000904105398 663824866 /nfs/dbraw/zinc/82/48/66/663824866.db2.gz GKVGHLULZLABHX-KBPBESRZSA-N 1 2 394.269 2.973 20 30 GFEDLO C[C@H](C(=O)NC1CC1)[N@@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932944066 664843824 /nfs/dbraw/zinc/84/38/24/664843824.db2.gz BUBUYTHKRACLJY-VDAHYXPESA-N 1 2 380.279 2.756 20 30 GFEDLO C[C@H](C(=O)NC1CC1)[N@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932944066 664843825 /nfs/dbraw/zinc/84/38/25/664843825.db2.gz BUBUYTHKRACLJY-VDAHYXPESA-N 1 2 380.279 2.756 20 30 GFEDLO CS(=O)(=O)CCC[N@@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932943459 664843869 /nfs/dbraw/zinc/84/38/69/664843869.db2.gz UQMUNQSSFWMWLG-OCAPTIKFSA-N 1 2 389.308 2.524 20 30 GFEDLO CS(=O)(=O)CCC[N@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932943459 664843871 /nfs/dbraw/zinc/84/38/71/664843871.db2.gz UQMUNQSSFWMWLG-OCAPTIKFSA-N 1 2 389.308 2.524 20 30 GFEDLO C#Cc1ccc(NC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)c(Cl)c1 ZINC000933371772 664860771 /nfs/dbraw/zinc/86/07/71/664860771.db2.gz VLEYNPVXFWAAMF-GOSISDBHSA-N 1 2 379.913 2.651 20 30 GFEDLO N#Cc1cccnc1N1CC[NH+](C[C@@H](O)c2ccccc2Br)CC1 ZINC000152689513 551438185 /nfs/dbraw/zinc/43/81/85/551438185.db2.gz MCECQDGHGCXSJP-QGZVFWFLSA-N 1 2 387.281 2.571 20 30 GFEDLO N#Cc1c(Cl)cccc1S(=O)(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000156495667 551523750 /nfs/dbraw/zinc/52/37/50/551523750.db2.gz YDQGUYAVVDQSPG-UHFFFAOYSA-N 1 2 376.869 2.554 20 30 GFEDLO COc1ccc(C[N@H+](C)[C@H](C(N)=O)c2cccc(Br)c2)cc1C#N ZINC000181065879 552245011 /nfs/dbraw/zinc/24/50/11/552245011.db2.gz CIJJSAOYBSZMMM-KRWDZBQOSA-N 1 2 388.265 2.988 20 30 GFEDLO COc1ccc(C[N@@H+](C)[C@H](C(N)=O)c2cccc(Br)c2)cc1C#N ZINC000181065879 552245014 /nfs/dbraw/zinc/24/50/14/552245014.db2.gz CIJJSAOYBSZMMM-KRWDZBQOSA-N 1 2 388.265 2.988 20 30 GFEDLO N#Cc1ccc(Cl)c(S(=O)(=O)NCc2ccc(N3CCCC3)[nH+]c2)c1 ZINC000186245297 552382810 /nfs/dbraw/zinc/38/28/10/552382810.db2.gz HNDUULUBEFSXGQ-UHFFFAOYSA-N 1 2 376.869 2.685 20 30 GFEDLO C=CCOc1c(Br)cc(C[NH2+]Cc2nc(N(C)C)no2)cc1OC ZINC000191895331 552541505 /nfs/dbraw/zinc/54/15/05/552541505.db2.gz ZPTMVRLHMRYNBZ-UHFFFAOYSA-N 1 2 397.273 2.761 20 30 GFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCSC[C@H]1CC(=O)OC ZINC000245900795 553099330 /nfs/dbraw/zinc/09/93/30/553099330.db2.gz AUIFMGLCSJEMEJ-LSDHHAIUSA-N 1 2 382.551 2.632 20 30 GFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCSC[C@H]1CC(=O)OC ZINC000245900795 553099332 /nfs/dbraw/zinc/09/93/32/553099332.db2.gz AUIFMGLCSJEMEJ-LSDHHAIUSA-N 1 2 382.551 2.632 20 30 GFEDLO CS(=O)(=O)[C@H]1CCCC[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000277753308 563224284 /nfs/dbraw/zinc/22/42/84/563224284.db2.gz LSAFNTYWADPDEQ-INIZCTEOSA-N 1 2 375.412 2.836 20 30 GFEDLO CS(=O)(=O)[C@H]1CCCC[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000277753308 563224287 /nfs/dbraw/zinc/22/42/87/563224287.db2.gz LSAFNTYWADPDEQ-INIZCTEOSA-N 1 2 375.412 2.836 20 30 GFEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](C)C(=O)Nc2ccc(C)cc2Br)C1=O ZINC000281273909 563372054 /nfs/dbraw/zinc/37/20/54/563372054.db2.gz IEXAYKYSXAVEOU-XJKSGUPXSA-N 1 2 394.313 2.803 20 30 GFEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H](C)C(=O)Nc2ccc(C)cc2Br)C1=O ZINC000281273909 563372055 /nfs/dbraw/zinc/37/20/55/563372055.db2.gz IEXAYKYSXAVEOU-XJKSGUPXSA-N 1 2 394.313 2.803 20 30 GFEDLO N#Cc1cc(Br)ccc1C[NH+]1CCC(c2ccnn2CCO)CC1 ZINC000376510862 563445005 /nfs/dbraw/zinc/44/50/05/563445005.db2.gz HWFHQBWZNNUWHS-UHFFFAOYSA-N 1 2 389.297 2.889 20 30 GFEDLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)c1csc([C@H]2CCCO2)n1 ZINC000328794817 563465706 /nfs/dbraw/zinc/46/57/06/563465706.db2.gz SRIGQQNOAHJAQT-RHSMWYFYSA-N 1 2 383.539 2.507 20 30 GFEDLO O=C(N[C@H]1CCN(c2cccc(Br)c2)C1)N1CCn2cc[nH+]c2C1 ZINC000330212499 563498897 /nfs/dbraw/zinc/49/88/97/563498897.db2.gz DQIMGHQCHMFGHH-AWEZNQCLSA-N 1 2 390.285 2.654 20 30 GFEDLO COc1cc(Br)cc(NC(=O)NCC[N@@H+]2CCOC(C)(C)C2)c1 ZINC000330567898 563511170 /nfs/dbraw/zinc/51/11/70/563511170.db2.gz MUZAHRWPXBNXGZ-UHFFFAOYSA-N 1 2 386.290 2.894 20 30 GFEDLO COc1cc(Br)cc(NC(=O)NCC[N@H+]2CCOC(C)(C)C2)c1 ZINC000330567898 563511174 /nfs/dbraw/zinc/51/11/74/563511174.db2.gz MUZAHRWPXBNXGZ-UHFFFAOYSA-N 1 2 386.290 2.894 20 30 GFEDLO CC(C)[C@H](CNC(=O)c1cc(Br)cnc1N(C)C)[NH+]1CCOCC1 ZINC000330733279 563518995 /nfs/dbraw/zinc/51/89/95/563518995.db2.gz KLVMYILOOPPXFJ-HNNXBMFYSA-N 1 2 399.333 2.572 20 30 GFEDLO CC1CCN(c2ccc(CNS(=O)(=O)c3ccc(C#N)s3)c[nH+]2)CC1 ZINC000331831752 563564246 /nfs/dbraw/zinc/56/42/46/563564246.db2.gz ASAFFJXEIOKEEX-UHFFFAOYSA-N 1 2 376.507 2.730 20 30 GFEDLO CC[C@@H]1CN(S(=O)(=O)c2ccc(C#N)s2)CC[N@@H+]1Cc1ccccc1 ZINC000435425486 563649460 /nfs/dbraw/zinc/64/94/60/563649460.db2.gz DFZSTDGACFVBRW-MRXNPFEDSA-N 1 2 375.519 2.905 20 30 GFEDLO CC[C@@H]1CN(S(=O)(=O)c2ccc(C#N)s2)CC[N@H+]1Cc1ccccc1 ZINC000435425486 563649462 /nfs/dbraw/zinc/64/94/62/563649462.db2.gz DFZSTDGACFVBRW-MRXNPFEDSA-N 1 2 375.519 2.905 20 30 GFEDLO Cc1nc2c(s1)[C@@H]([N@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1)CCC2 ZINC000289613231 563680759 /nfs/dbraw/zinc/68/07/59/563680759.db2.gz ASSRMKQEWJBBGP-HNNXBMFYSA-N 1 2 376.507 2.501 20 30 GFEDLO Cc1nc2c(s1)[C@@H]([N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1)CCC2 ZINC000289613231 563680761 /nfs/dbraw/zinc/68/07/61/563680761.db2.gz ASSRMKQEWJBBGP-HNNXBMFYSA-N 1 2 376.507 2.501 20 30 GFEDLO N#Cc1ccc(OCC(=O)N2CC[NH+](Cc3ccsc3)CC2)cc1Cl ZINC000438893953 563713538 /nfs/dbraw/zinc/71/35/38/563713538.db2.gz MGSOLBPYFHDZHC-UHFFFAOYSA-N 1 2 375.881 2.996 20 30 GFEDLO C[N@H+](CCC#N)C[C@H](O)CSc1nccn1-c1ccc(Br)cc1 ZINC000414090373 563718790 /nfs/dbraw/zinc/71/87/90/563718790.db2.gz CBNGNUJAJKLZTG-HNNXBMFYSA-N 1 2 395.326 2.933 20 30 GFEDLO C[N@@H+](CCC#N)C[C@H](O)CSc1nccn1-c1ccc(Br)cc1 ZINC000414090373 563718792 /nfs/dbraw/zinc/71/87/92/563718792.db2.gz CBNGNUJAJKLZTG-HNNXBMFYSA-N 1 2 395.326 2.933 20 30 GFEDLO Cc1nc(C[N@@H+](C)[C@@H]2CCN(c3ccc(Br)cc3C#N)C2)no1 ZINC000363685735 563730245 /nfs/dbraw/zinc/73/02/45/563730245.db2.gz IVUAHGLTAYLGLP-CQSZACIVSA-N 1 2 376.258 2.723 20 30 GFEDLO Cc1nc(C[N@H+](C)[C@@H]2CCN(c3ccc(Br)cc3C#N)C2)no1 ZINC000363685735 563730248 /nfs/dbraw/zinc/73/02/48/563730248.db2.gz IVUAHGLTAYLGLP-CQSZACIVSA-N 1 2 376.258 2.723 20 30 GFEDLO C#CC[N@H+](C[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000365001376 563771267 /nfs/dbraw/zinc/77/12/67/563771267.db2.gz MVRWFBMDIPVNJG-XJKSGUPXSA-N 1 2 398.322 2.643 20 30 GFEDLO C#CC[N@@H+](C[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000365001376 563771269 /nfs/dbraw/zinc/77/12/69/563771269.db2.gz MVRWFBMDIPVNJG-XJKSGUPXSA-N 1 2 398.322 2.643 20 30 GFEDLO CC(C)(C[NH+]1CCOCC1)NC(=O)Nc1ccc(C#N)c(Br)c1 ZINC000417117235 563868157 /nfs/dbraw/zinc/86/81/57/563868157.db2.gz RPSKPXNQELPTFK-UHFFFAOYSA-N 1 2 381.274 2.553 20 30 GFEDLO C=CCNC(=O)C[NH+]1CCN(Cc2ccc(Br)cc2SC)CC1 ZINC000506260019 564199748 /nfs/dbraw/zinc/19/97/48/564199748.db2.gz UBUUSQBATYJMFS-UHFFFAOYSA-N 1 2 398.370 2.591 20 30 GFEDLO CC[C@@H]1C[N@H+](CC)CCN1S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000451928371 564368393 /nfs/dbraw/zinc/36/83/93/564368393.db2.gz DXMTYMJERFSFFX-CYBMUJFWSA-N 1 2 375.416 2.682 20 30 GFEDLO CC[C@@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000451928371 564368395 /nfs/dbraw/zinc/36/83/95/564368395.db2.gz DXMTYMJERFSFFX-CYBMUJFWSA-N 1 2 375.416 2.682 20 30 GFEDLO C[C@@H]([NH2+][C@@H]1CCN(c2sccc2C#N)C1=O)c1ncc(Br)cn1 ZINC000570577493 564513013 /nfs/dbraw/zinc/51/30/13/564513013.db2.gz ZMVUJELLQQBUEF-BXKDBHETSA-N 1 2 392.282 2.628 20 30 GFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc(Br)cc1Br ZINC000518542253 564556248 /nfs/dbraw/zinc/55/62/48/564556248.db2.gz NQXJNVPAJSYJSI-ZDUSSCGKSA-N 1 2 389.091 2.785 20 30 GFEDLO C=CCOc1ccc(C[N@@H+]2CCCN(S(=O)(=O)C3CC3)CC2)cc1Cl ZINC000549449080 564594694 /nfs/dbraw/zinc/59/46/94/564594694.db2.gz MDKJRSALCVRHJF-UHFFFAOYSA-N 1 2 384.929 2.905 20 30 GFEDLO C=CCOc1ccc(C[N@H+]2CCCN(S(=O)(=O)C3CC3)CC2)cc1Cl ZINC000549449080 564594696 /nfs/dbraw/zinc/59/46/96/564594696.db2.gz MDKJRSALCVRHJF-UHFFFAOYSA-N 1 2 384.929 2.905 20 30 GFEDLO COc1ccc(CN(CCC#N)CC[NH+]2CCOCC2)c(Br)c1 ZINC000582692483 564857145 /nfs/dbraw/zinc/85/71/45/564857145.db2.gz FALSOCOPEGEXAH-UHFFFAOYSA-N 1 2 382.302 2.506 20 30 GFEDLO N#Cc1cccc(N2CC[NH+](Cc3cc(Br)cc4c3OCC4)CC2)n1 ZINC000463053920 564867784 /nfs/dbraw/zinc/86/77/84/564867784.db2.gz BOHAOLGUQNZVIK-UHFFFAOYSA-N 1 2 399.292 2.973 20 30 GFEDLO Cc1cc(Br)cn2cc(CCNC(=O)c3cnccc3C#N)[nH+]c12 ZINC000557911173 564884618 /nfs/dbraw/zinc/88/46/18/564884618.db2.gz RULJROACANMVDT-UHFFFAOYSA-N 1 2 384.237 2.644 20 30 GFEDLO C=CCN1CC[C@H]([N@H+]2CCO[C@@H](c3ccc(Br)cc3)[C@H]2C)C1=O ZINC000499577371 564931212 /nfs/dbraw/zinc/93/12/12/564931212.db2.gz SVHHFYWQYLLLJH-XOKHGSTOSA-N 1 2 379.298 2.998 20 30 GFEDLO C=CCN1CC[C@H]([N@@H+]2CCO[C@@H](c3ccc(Br)cc3)[C@H]2C)C1=O ZINC000499577371 564931214 /nfs/dbraw/zinc/93/12/14/564931214.db2.gz SVHHFYWQYLLLJH-XOKHGSTOSA-N 1 2 379.298 2.998 20 30 GFEDLO CC(=O)NCC[N@@H+](Cc1cc(C#N)n(C)c1)Cc1ccc(Br)s1 ZINC000504546675 565041378 /nfs/dbraw/zinc/04/13/78/565041378.db2.gz ONLBDTMDUKFKGS-UHFFFAOYSA-N 1 2 395.326 2.859 20 30 GFEDLO CC(=O)NCC[N@H+](Cc1cc(C#N)n(C)c1)Cc1ccc(Br)s1 ZINC000504546675 565041381 /nfs/dbraw/zinc/04/13/81/565041381.db2.gz ONLBDTMDUKFKGS-UHFFFAOYSA-N 1 2 395.326 2.859 20 30 GFEDLO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1S(=O)(=O)c1ccc(C#N)s1 ZINC000619548008 565348268 /nfs/dbraw/zinc/34/82/68/565348268.db2.gz NGGMFMMGOBRXIG-OAHLLOKOSA-N 1 2 375.519 2.905 20 30 GFEDLO C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1S(=O)(=O)c1ccc(C#N)s1 ZINC000619548008 565348271 /nfs/dbraw/zinc/34/82/71/565348271.db2.gz NGGMFMMGOBRXIG-OAHLLOKOSA-N 1 2 375.519 2.905 20 30 GFEDLO N#Cc1ccc(S(=O)(=O)NC[C@@H]2CC[N@@H+]2Cc2ccccc2)c(Cl)c1 ZINC000595394649 565472929 /nfs/dbraw/zinc/47/29/29/565472929.db2.gz YJJJHSGVYKYVES-INIZCTEOSA-N 1 2 375.881 2.764 20 30 GFEDLO N#Cc1ccc(S(=O)(=O)NC[C@@H]2CC[N@H+]2Cc2ccccc2)c(Cl)c1 ZINC000595394649 565472933 /nfs/dbraw/zinc/47/29/33/565472933.db2.gz YJJJHSGVYKYVES-INIZCTEOSA-N 1 2 375.881 2.764 20 30 GFEDLO Cn1cc(Br)c(C[NH2+]C2(c3cccc(C#N)c3)CCOCC2)n1 ZINC000595768041 565491499 /nfs/dbraw/zinc/49/14/99/565491499.db2.gz FMXMGZOWZOVVHC-UHFFFAOYSA-N 1 2 375.270 2.850 20 30 GFEDLO N#Cc1cc(F)c(N2CC[NH+](CCc3cnccn3)CC2)cc1Br ZINC000601253110 565773461 /nfs/dbraw/zinc/77/34/61/565773461.db2.gz FBUIUNRLXGWDBL-UHFFFAOYSA-N 1 2 390.260 2.615 20 30 GFEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)[C@@H](C)CN1Cc1ccc(-c2nn[nH]n2)cc1 ZINC000826232539 607553509 /nfs/dbraw/zinc/55/35/09/607553509.db2.gz UYJCGFWBRAUEQA-DLBZAZTESA-N 1 2 387.491 2.833 20 30 GFEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)[C@@H](C)CN1Cc1ccc(-c2nn[nH]n2)cc1 ZINC000826232539 607553510 /nfs/dbraw/zinc/55/35/10/607553510.db2.gz UYJCGFWBRAUEQA-DLBZAZTESA-N 1 2 387.491 2.833 20 30 GFEDLO C=CCN(Cc1cccs1)C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000047071128 654690089 /nfs/dbraw/zinc/69/00/89/654690089.db2.gz KVVLJVVIVZRVQK-SFHVURJKSA-N 1 2 381.567 2.654 20 30 GFEDLO C[N@H+](CCOc1ccccc1C#N)CC(=O)Nc1ccc(Br)cn1 ZINC000068451635 654962642 /nfs/dbraw/zinc/96/26/42/654962642.db2.gz CCEYZMNVGUGFBZ-UHFFFAOYSA-N 1 2 389.253 2.665 20 30 GFEDLO C[N@@H+](CCOc1ccccc1C#N)CC(=O)Nc1ccc(Br)cn1 ZINC000068451635 654962644 /nfs/dbraw/zinc/96/26/44/654962644.db2.gz CCEYZMNVGUGFBZ-UHFFFAOYSA-N 1 2 389.253 2.665 20 30 GFEDLO O=C1Nc2c(cc(Cl)cc2Br)C1=NNC1=[NH+][C@H]2CCCC[C@@H]2N1 ZINC000753932920 655861019 /nfs/dbraw/zinc/86/10/19/655861019.db2.gz BMCOJMNCDHEDTD-QWRGUYRKSA-N 1 2 396.676 2.619 20 30 GFEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2cc(C)cc(Br)c2O)n1 ZINC000789760679 657888561 /nfs/dbraw/zinc/88/85/61/657888561.db2.gz CCPKZCCCXIPRAN-UHFFFAOYSA-N 1 2 392.297 2.941 20 30 GFEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2cc(C)cc(Br)c2O)n1 ZINC000789760679 657888567 /nfs/dbraw/zinc/88/85/67/657888567.db2.gz CCPKZCCCXIPRAN-UHFFFAOYSA-N 1 2 392.297 2.941 20 30 GFEDLO COc1cc(C(=O)/C=C\c2ncc(C[NH+](C)C)s2)ccc1S(C)(=O)=O ZINC000794709259 658601963 /nfs/dbraw/zinc/60/19/63/658601963.db2.gz XRPWNDQRVILYOA-VURMDHGXSA-N 1 2 380.491 2.513 20 30 GFEDLO C=C(Br)COC(=O)[C@@H]1CCC(=O)N(CCC)[C@H]1c1c[nH+]cn1C ZINC000796084561 658887910 /nfs/dbraw/zinc/88/79/10/658887910.db2.gz AXYIXKPYHLPYDA-IUODEOHRSA-N 1 2 384.274 2.562 20 30 GFEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cc(Br)cnc1Cl ZINC000843391719 661379041 /nfs/dbraw/zinc/37/90/41/661379041.db2.gz VZXLKARHBHPQAE-UHFFFAOYSA-N 1 2 387.709 2.545 20 30 GFEDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)Nc2ccc(Br)c(C#N)n2)C1 ZINC000883105776 663049296 /nfs/dbraw/zinc/04/92/96/663049296.db2.gz VIYSUCNDGWPAGT-LLVKDONJSA-N 1 2 389.257 2.861 20 30 GFEDLO O=C(Cc1[nH]cc[nH+]1)N1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000885283250 663088074 /nfs/dbraw/zinc/08/80/74/663088074.db2.gz BYJRXXINKWBNJY-KNVOCYPGSA-N 1 2 377.235 2.582 20 30 GFEDLO C[C@@H]1CCN(C[N@@H+]2C[C@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)C1=O ZINC000902524168 663762532 /nfs/dbraw/zinc/76/25/32/663762532.db2.gz PDEMGDJYIGMKDB-HLTSFMKQSA-N 1 2 380.279 2.915 20 30 GFEDLO C[C@@H]1CCN(C[N@H+]2C[C@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)C1=O ZINC000902524168 663762535 /nfs/dbraw/zinc/76/25/35/663762535.db2.gz PDEMGDJYIGMKDB-HLTSFMKQSA-N 1 2 380.279 2.915 20 30 GFEDLO C=C(Br)CNC(=O)N1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC000921124667 664537624 /nfs/dbraw/zinc/53/76/24/664537624.db2.gz GULCIYPGTNISSV-UHFFFAOYSA-N 1 2 382.302 2.739 20 30 GFEDLO Cc1cc(Br)cn2cc(CCNC(=O)N3CCC[C@H](C#N)C3)[nH+]c12 ZINC000921939041 664577405 /nfs/dbraw/zinc/57/74/05/664577405.db2.gz MZIAXOVLMWNFRY-CYBMUJFWSA-N 1 2 390.285 2.893 20 30 GFEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCC[C@H](Cc3nccs3)C2)c1 ZINC000932200405 664813004 /nfs/dbraw/zinc/81/30/04/664813004.db2.gz PZBYHXNTMULKNW-MRXNPFEDSA-N 1 2 375.519 2.743 20 30 GFEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCC[C@H](Cc3nccs3)C2)c1 ZINC000932200405 664813007 /nfs/dbraw/zinc/81/30/07/664813007.db2.gz PZBYHXNTMULKNW-MRXNPFEDSA-N 1 2 375.519 2.743 20 30 GFEDLO N#Cc1cnc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)c(C#N)c1 ZINC001164673692 719499505 /nfs/dbraw/zinc/49/95/05/719499505.db2.gz QVHUBGDQJCHIRP-UHFFFAOYSA-N 1 2 391.450 2.835 20 30 GFEDLO N#Cc1cnc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)c(C#N)c1 ZINC001164673692 719499517 /nfs/dbraw/zinc/49/95/17/719499517.db2.gz QVHUBGDQJCHIRP-UHFFFAOYSA-N 1 2 391.450 2.835 20 30 GFEDLO C[N@H+](CC#Cc1ccc(F)cc1)CC(=O)Nc1ccc(Br)cn1 ZINC000159858242 551572241 /nfs/dbraw/zinc/57/22/41/551572241.db2.gz GLPAXMCAXVAOCO-UHFFFAOYSA-N 1 2 376.229 2.905 20 30 GFEDLO C[N@@H+](CC#Cc1ccc(F)cc1)CC(=O)Nc1ccc(Br)cn1 ZINC000159858242 551572244 /nfs/dbraw/zinc/57/22/44/551572244.db2.gz GLPAXMCAXVAOCO-UHFFFAOYSA-N 1 2 376.229 2.905 20 30 GFEDLO Cc1cc(C#N)ccc1S(=O)(=O)NC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000172672658 551684856 /nfs/dbraw/zinc/68/48/56/551684856.db2.gz RFTRSXZWVBKUSP-CQSZACIVSA-N 1 2 375.519 2.653 20 30 GFEDLO Cc1cc(C#N)ccc1S(=O)(=O)NC[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000172672658 551684858 /nfs/dbraw/zinc/68/48/58/551684858.db2.gz RFTRSXZWVBKUSP-CQSZACIVSA-N 1 2 375.519 2.653 20 30 GFEDLO CC(C)c1[nH+]c2c(n1C)CCN(S(=O)(=O)c1ccc(C#N)cc1Cl)C2 ZINC000183662373 552316502 /nfs/dbraw/zinc/31/65/02/552316502.db2.gz PBMJTEAWWMWWPC-UHFFFAOYSA-N 1 2 378.885 2.816 20 30 GFEDLO N#Cc1ccc(Cl)c(S(=O)(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)c1 ZINC000186065226 552377966 /nfs/dbraw/zinc/37/79/66/552377966.db2.gz IGHZMPXKBKNIEX-OAHLLOKOSA-N 1 2 379.869 2.920 20 30 GFEDLO C=CCNC(=O)[C@@H](C)[N@H+](C)Cc1cccc(Br)c1OCC(C)(C)O ZINC000191350260 552526118 /nfs/dbraw/zinc/52/61/18/552526118.db2.gz AKNPZSKOEBXHEJ-CYBMUJFWSA-N 1 2 399.329 2.721 20 30 GFEDLO C=CCNC(=O)[C@@H](C)[N@@H+](C)Cc1cccc(Br)c1OCC(C)(C)O ZINC000191350260 552526119 /nfs/dbraw/zinc/52/61/19/552526119.db2.gz AKNPZSKOEBXHEJ-CYBMUJFWSA-N 1 2 399.329 2.721 20 30 GFEDLO Cc1cc(C[NH+]2CCN(Cc3cc(C#N)ccc3Br)CC2)on1 ZINC000191771309 552537455 /nfs/dbraw/zinc/53/74/55/552537455.db2.gz AFEWKVAUNBPGIE-UHFFFAOYSA-N 1 2 375.270 2.935 20 30 GFEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)cc1Cl ZINC000277785076 563226211 /nfs/dbraw/zinc/22/62/11/563226211.db2.gz OEZIYVBKKMVOQW-ABAIWWIYSA-N 1 2 375.778 2.785 20 30 GFEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)cc1Cl ZINC000277785076 563226213 /nfs/dbraw/zinc/22/62/13/563226213.db2.gz OEZIYVBKKMVOQW-ABAIWWIYSA-N 1 2 375.778 2.785 20 30 GFEDLO C=CC[NH+]1CCC(NS(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CC1 ZINC000295586980 563254877 /nfs/dbraw/zinc/25/48/77/563254877.db2.gz BHBQYIZFMYMCSS-UHFFFAOYSA-N 1 2 394.280 2.830 20 30 GFEDLO Cc1cc(C#N)nc(N2CC[NH+](Cc3ccc(Br)s3)CC2)n1 ZINC000280659810 563348328 /nfs/dbraw/zinc/34/83/28/563348328.db2.gz BIHRVCBGHWPWFA-UHFFFAOYSA-N 1 2 378.299 2.803 20 30 GFEDLO N#Cc1cc(Br)ccc1N1CC[NH+]([C@H](C(N)=O)c2ccccc2)CC1 ZINC000301487902 563405152 /nfs/dbraw/zinc/40/51/52/563405152.db2.gz ZDLNEYGXGROVTB-SFHVURJKSA-N 1 2 399.292 2.669 20 30 GFEDLO N#Cc1c(Br)cccc1S(=O)(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000283469859 563445943 /nfs/dbraw/zinc/44/59/43/563445943.db2.gz GOTGZELYQLHXGC-UHFFFAOYSA-N 1 2 395.282 2.543 20 30 GFEDLO C[C@H]([NH2+][C@H]1CCC[C@H]1C#N)C(=O)Nc1ccc(I)cc1 ZINC000331356915 563547372 /nfs/dbraw/zinc/54/73/72/563547372.db2.gz SNQPFEGJPKGZFX-MJVIPROJSA-N 1 2 383.233 2.900 20 30 GFEDLO C[C@H]([NH2+][C@H]1CCN(c2ccc(C#N)cc2)C1=O)c1ncc(Br)cn1 ZINC000431107846 563553378 /nfs/dbraw/zinc/55/33/78/563553378.db2.gz SKFZLESDEQKJJN-NHYWBVRUSA-N 1 2 386.253 2.567 20 30 GFEDLO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000408434981 563556132 /nfs/dbraw/zinc/55/61/32/563556132.db2.gz UESWWYIWFYMAHD-DOMZBBRYSA-N 1 2 398.326 2.568 20 30 GFEDLO C[C@@H]1C[N@H+]2CCCC[C@H]2CN1S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000408434981 563556133 /nfs/dbraw/zinc/55/61/33/563556133.db2.gz UESWWYIWFYMAHD-DOMZBBRYSA-N 1 2 398.326 2.568 20 30 GFEDLO Cc1sc(NC(=O)C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)c(C#N)c1C ZINC000286369674 563557871 /nfs/dbraw/zinc/55/78/71/563557871.db2.gz GFBLZWFRTDAHGD-WCQYABFASA-N 1 2 375.416 2.668 20 30 GFEDLO Cc1sc(NC(=O)C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)c(C#N)c1C ZINC000286369674 563557874 /nfs/dbraw/zinc/55/78/74/563557874.db2.gz GFBLZWFRTDAHGD-WCQYABFASA-N 1 2 375.416 2.668 20 30 GFEDLO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CC[S@@](=O)[C@@H](C)C3)sc2C1 ZINC000332004610 563571355 /nfs/dbraw/zinc/57/13/55/563571355.db2.gz WQFGLABEEJARNU-UXGGDIESSA-N 1 2 379.551 2.526 20 30 GFEDLO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CC[S@@](=O)[C@@H](C)C3)sc2C1 ZINC000332004610 563571358 /nfs/dbraw/zinc/57/13/58/563571358.db2.gz WQFGLABEEJARNU-UXGGDIESSA-N 1 2 379.551 2.526 20 30 GFEDLO C=CCN1CC[C@H]([NH+]2CCN([C@H](C)c3ccc(Br)cc3)CC2)C1=O ZINC000410385419 563589252 /nfs/dbraw/zinc/58/92/52/563589252.db2.gz WYSAWIKERNZCPZ-QAPCUYQASA-N 1 2 392.341 2.915 20 30 GFEDLO C[C@@H](CCC#N)[NH+]1CCN(C(=O)c2ccccc2I)CC1 ZINC000411181895 563608807 /nfs/dbraw/zinc/60/88/07/563608807.db2.gz GTPBUGQBURLADK-ZDUSSCGKSA-N 1 2 397.260 2.741 20 30 GFEDLO CC(C)Cn1cc[nH+]c1CNS(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000433886670 563623026 /nfs/dbraw/zinc/62/30/26/563623026.db2.gz DSAGRTIMMHFPDT-UHFFFAOYSA-N 1 2 397.298 2.652 20 30 GFEDLO N#Cc1c(Br)cccc1S(=O)(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000288344256 563638885 /nfs/dbraw/zinc/63/88/85/563638885.db2.gz XVHQOFZPKNWIRI-CYBMUJFWSA-N 1 2 395.282 2.960 20 30 GFEDLO C[N@H+](CCC#N)C[C@H](O)CSc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000414089750 563718702 /nfs/dbraw/zinc/71/87/02/563718702.db2.gz BFEGEOQSESWDSF-JTQLQIEISA-N 1 2 393.822 2.700 20 30 GFEDLO C[N@@H+](CCC#N)C[C@H](O)CSc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000414089750 563718704 /nfs/dbraw/zinc/71/87/04/563718704.db2.gz BFEGEOQSESWDSF-JTQLQIEISA-N 1 2 393.822 2.700 20 30 GFEDLO COc1ccc(Nc2nnc(SC[C@H](O)C[N@H+](C)CCC#N)s2)cc1 ZINC000414102212 563719512 /nfs/dbraw/zinc/71/95/12/563719512.db2.gz VKEMTGQBIZJQPX-CYBMUJFWSA-N 1 2 379.511 2.589 20 30 GFEDLO COc1ccc(Nc2nnc(SC[C@H](O)C[N@@H+](C)CCC#N)s2)cc1 ZINC000414102212 563719513 /nfs/dbraw/zinc/71/95/13/563719513.db2.gz VKEMTGQBIZJQPX-CYBMUJFWSA-N 1 2 379.511 2.589 20 30 GFEDLO C=C(Br)C[NH+]1CCC(C(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000363522215 563725348 /nfs/dbraw/zinc/72/53/48/563725348.db2.gz NLGZNEBZWHGLKZ-UHFFFAOYSA-N 1 2 379.254 2.821 20 30 GFEDLO Cc1cc(C[NH+]2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)ncn1 ZINC000293358562 563809350 /nfs/dbraw/zinc/80/93/50/563809350.db2.gz YHOFCRXBEPTISZ-GOSISDBHSA-N 1 2 386.297 2.930 20 30 GFEDLO N#Cc1cccc(C[NH+]2CCC(NS(=O)(=O)c3cccs3)CC2)c1F ZINC000538098016 564182639 /nfs/dbraw/zinc/18/26/39/564182639.db2.gz XVGSWKKRBIPASS-UHFFFAOYSA-N 1 2 379.482 2.702 20 30 GFEDLO CC1(C#N)CC[NH+]([C@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)CC1 ZINC000540930272 564260204 /nfs/dbraw/zinc/26/02/04/564260204.db2.gz ULVDUTFNXDWTJI-AWEZNQCLSA-N 1 2 376.254 2.707 20 30 GFEDLO Cc1csc(S(=O)(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000451016413 564262790 /nfs/dbraw/zinc/26/27/90/564262790.db2.gz RUPHNEWVFZEQLY-UHFFFAOYSA-N 1 2 375.519 2.825 20 30 GFEDLO Cc1csc(S(=O)(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000451016413 564262793 /nfs/dbraw/zinc/26/27/93/564262793.db2.gz RUPHNEWVFZEQLY-UHFFFAOYSA-N 1 2 375.519 2.825 20 30 GFEDLO N#CCCN(CCC#N)C(=O)C[N@H+]1CC[C@H](c2cccc(Br)c2)C1 ZINC000451574785 564327942 /nfs/dbraw/zinc/32/79/42/564327942.db2.gz WEFNDOIATPOGCJ-INIZCTEOSA-N 1 2 389.297 2.894 20 30 GFEDLO N#CCCN(CCC#N)C(=O)C[N@@H+]1CC[C@H](c2cccc(Br)c2)C1 ZINC000451574785 564327945 /nfs/dbraw/zinc/32/79/45/564327945.db2.gz WEFNDOIATPOGCJ-INIZCTEOSA-N 1 2 389.297 2.894 20 30 GFEDLO COC(=O)c1cccc(C[NH2+][C@@H](CO)c2cccc(Br)c2)c1C#N ZINC000542913126 564331286 /nfs/dbraw/zinc/33/12/86/564331286.db2.gz FKSYWPLSSHJLRV-KRWDZBQOSA-N 1 2 389.249 2.931 20 30 GFEDLO CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1)S(=O)(=O)CCC(C)(C)C#N ZINC000571722512 564563477 /nfs/dbraw/zinc/56/34/77/564563477.db2.gz HEEBONOKIGDFNX-GJZGRUSLSA-N 1 2 387.546 2.862 20 30 GFEDLO CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1)S(=O)(=O)CCC(C)(C)C#N ZINC000571722512 564563482 /nfs/dbraw/zinc/56/34/82/564563482.db2.gz HEEBONOKIGDFNX-GJZGRUSLSA-N 1 2 387.546 2.862 20 30 GFEDLO Cc1ccsc1S(=O)(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000462448355 564841103 /nfs/dbraw/zinc/84/11/03/564841103.db2.gz AJYOWIYAMKPSOG-UHFFFAOYSA-N 1 2 375.519 2.825 20 30 GFEDLO Cc1ccsc1S(=O)(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000462448355 564841107 /nfs/dbraw/zinc/84/11/07/564841107.db2.gz AJYOWIYAMKPSOG-UHFFFAOYSA-N 1 2 375.519 2.825 20 30 GFEDLO N#Cc1ccc(S(=O)(=O)NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)s1 ZINC000584151037 564922986 /nfs/dbraw/zinc/92/29/86/564922986.db2.gz ZXPFQKOZLGKMDN-HNNXBMFYSA-N 1 2 393.559 2.516 20 30 GFEDLO N#Cc1ccc(S(=O)(=O)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)s1 ZINC000584151037 564922993 /nfs/dbraw/zinc/92/29/93/564922993.db2.gz ZXPFQKOZLGKMDN-HNNXBMFYSA-N 1 2 393.559 2.516 20 30 GFEDLO N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCSC[C@H]2c2nccs2)cc1 ZINC000613751200 565079195 /nfs/dbraw/zinc/07/91/95/565079195.db2.gz JHOGKHGJHVGMKQ-WBVHZDCISA-N 1 2 375.519 2.739 20 30 GFEDLO N#CCc1ccc(OC[C@H](O)C[N@H+]2CCSC[C@H]2c2nccs2)cc1 ZINC000613751200 565079199 /nfs/dbraw/zinc/07/91/99/565079199.db2.gz JHOGKHGJHVGMKQ-WBVHZDCISA-N 1 2 375.519 2.739 20 30 GFEDLO N#Cc1nc(NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)sc1Cl ZINC000590571556 565192804 /nfs/dbraw/zinc/19/28/04/565192804.db2.gz FLHHRJAMISFCOG-UHFFFAOYSA-N 1 2 375.885 2.605 20 30 GFEDLO N#Cc1c(Br)cccc1OCC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000590666096 565195099 /nfs/dbraw/zinc/19/50/99/565195099.db2.gz GMBQOVMOOMHESJ-ZDUSSCGKSA-N 1 2 389.253 2.760 20 30 GFEDLO C=C(C)CS(=O)(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(Br)cc1 ZINC000660014370 565239413 /nfs/dbraw/zinc/23/94/13/565239413.db2.gz NXNAIYXTOORSPU-CQSZACIVSA-N 1 2 384.299 2.768 20 30 GFEDLO C[C@H](CSc1ccccc1)[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000593045666 565310363 /nfs/dbraw/zinc/31/03/63/565310363.db2.gz KYKAYVWUGWPNHM-OAHLLOKOSA-N 1 2 375.519 2.840 20 30 GFEDLO C[C@H](CSc1ccccc1)[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000593045666 565310365 /nfs/dbraw/zinc/31/03/65/565310365.db2.gz KYKAYVWUGWPNHM-OAHLLOKOSA-N 1 2 375.519 2.840 20 30 GFEDLO CC[C@H]1CN(S(=O)(=O)c2ccsc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000593576973 565344186 /nfs/dbraw/zinc/34/41/86/565344186.db2.gz WNZZTUJVKUELHF-INIZCTEOSA-N 1 2 375.519 2.905 20 30 GFEDLO CC[C@H]1CN(S(=O)(=O)c2ccsc2C#N)CC[N@H+]1Cc1ccccc1 ZINC000593576973 565344187 /nfs/dbraw/zinc/34/41/87/565344187.db2.gz WNZZTUJVKUELHF-INIZCTEOSA-N 1 2 375.519 2.905 20 30 GFEDLO N#Cc1ccc([C@H](C(N)=O)[NH+]2CCN(c3ccc(Br)cc3)CC2)cc1 ZINC000595722811 565488539 /nfs/dbraw/zinc/48/85/39/565488539.db2.gz KUEHBQABQLUJNH-GOSISDBHSA-N 1 2 399.292 2.669 20 30 GFEDLO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCc3nccc(Br)c3C2)cc1 ZINC000598945170 565650140 /nfs/dbraw/zinc/65/01/40/565650140.db2.gz FRXPNOVDXIHCJW-CQSZACIVSA-N 1 2 388.265 2.514 20 30 GFEDLO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCc3nccc(Br)c3C2)cc1 ZINC000598945170 565650145 /nfs/dbraw/zinc/65/01/45/565650145.db2.gz FRXPNOVDXIHCJW-CQSZACIVSA-N 1 2 388.265 2.514 20 30 GFEDLO N#CC1(C[C@H](O)C[N@@H+]2CCOc3cccc(Br)c3C2)CCOCC1 ZINC000599453857 565680652 /nfs/dbraw/zinc/68/06/52/565680652.db2.gz CSIUBLKCTHQWFO-AWEZNQCLSA-N 1 2 395.297 2.715 20 30 GFEDLO N#CC1(C[C@H](O)C[N@H+]2CCOc3cccc(Br)c3C2)CCOCC1 ZINC000599453857 565680656 /nfs/dbraw/zinc/68/06/56/565680656.db2.gz CSIUBLKCTHQWFO-AWEZNQCLSA-N 1 2 395.297 2.715 20 30 GFEDLO N#Cc1cc(F)ccc1C[NH+]1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737704386 598765306 /nfs/dbraw/zinc/76/53/06/598765306.db2.gz HYERPAVXWNHARM-UHFFFAOYSA-N 1 2 378.411 2.921 20 30 GFEDLO CC(C)c1nc(-c2nn[nH]n2)c(N=NC2C[N@H+](Cc3ccccc3)C[C@H]2C)o1 ZINC000820759172 606341372 /nfs/dbraw/zinc/34/13/72/606341372.db2.gz IGFNCMMNCBVCNR-CYBMUJFWSA-N 1 2 380.456 2.898 20 30 GFEDLO CC(C)c1nc(-c2nn[nH]n2)c(N=NC2C[N@@H+](Cc3ccccc3)C[C@H]2C)o1 ZINC000820759172 606341373 /nfs/dbraw/zinc/34/13/73/606341373.db2.gz IGFNCMMNCBVCNR-CYBMUJFWSA-N 1 2 380.456 2.898 20 30 GFEDLO C#CC[NH+]1CCN(Cn2nc3c(Cl)cc(C(F)(F)F)cn3c2=S)CC1 ZINC000044756533 654663282 /nfs/dbraw/zinc/66/32/82/654663282.db2.gz OJKXQBNEDCFUNN-UHFFFAOYSA-N 1 2 389.834 2.746 20 30 GFEDLO COc1ccc(C(N)=[NH+]OCC(=O)Nc2ccc(Br)cc2)cc1 ZINC000054230035 654758862 /nfs/dbraw/zinc/75/88/62/654758862.db2.gz PNTHGKIBVZSVRD-UHFFFAOYSA-N 1 2 378.226 2.733 20 30 GFEDLO C#CC[NH+]1CCN(Cn2nc(Cc3c(F)cccc3Cl)oc2=S)CC1 ZINC000171038648 655148010 /nfs/dbraw/zinc/14/80/10/655148010.db2.gz ZBPMKOOIARNZRE-UHFFFAOYSA-N 1 2 380.876 2.797 20 30 GFEDLO C#CCNC(=O)C1CC[NH+]([C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000747825673 655784025 /nfs/dbraw/zinc/78/40/25/655784025.db2.gz ZYVHVZCJCAWBMK-LBPRGKRZSA-N 1 2 382.291 2.782 20 30 GFEDLO Cc1nn(C)c(N2CCOCC2)c1C=[NH+]Nc1ccc(F)cc1Br ZINC000755629482 655886479 /nfs/dbraw/zinc/88/64/79/655886479.db2.gz VIVBSYOIFHXALI-UHFFFAOYSA-N 1 2 396.264 2.913 20 30 GFEDLO Nc1c(Br)cc(Br)cc1C=[NH+]NC1CCOCC1 ZINC000763405902 656082547 /nfs/dbraw/zinc/08/25/47/656082547.db2.gz HVFXQNSXRMUCHD-UHFFFAOYSA-N 1 2 377.080 2.896 20 30 GFEDLO C#CC1CC[NH+](CN2C(=O)N[C@](C)(c3ccc(Br)s3)C2=O)CC1 ZINC000842633487 661346721 /nfs/dbraw/zinc/34/67/21/661346721.db2.gz JNXZPNXSPHMFQD-MRXNPFEDSA-N 1 2 396.310 2.580 20 30 GFEDLO COc1cc(C[N@H+](C)C[C@H](O)c2cccc(C#N)c2)c(Br)cn1 ZINC000856753921 662042327 /nfs/dbraw/zinc/04/23/27/662042327.db2.gz ZZJPIEFEXFYXDV-INIZCTEOSA-N 1 2 376.254 2.890 20 30 GFEDLO COc1cc(C[N@@H+](C)C[C@H](O)c2cccc(C#N)c2)c(Br)cn1 ZINC000856753921 662042329 /nfs/dbraw/zinc/04/23/29/662042329.db2.gz ZZJPIEFEXFYXDV-INIZCTEOSA-N 1 2 376.254 2.890 20 30 GFEDLO C[C@H]([NH2+]Cc1c(I)cnn1C)c1ccc(C#N)cc1F ZINC000866629889 662485271 /nfs/dbraw/zinc/48/52/71/662485271.db2.gz MXEFRFFLLAQDIV-VIFPVBQESA-N 1 2 384.196 2.886 20 30 GFEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCc1cc(Cl)cc(Cl)c1OC(F)F ZINC000884161467 663066299 /nfs/dbraw/zinc/06/62/99/663066299.db2.gz GVTPWGKDPFVGRW-NSHDSACASA-N 1 2 397.205 2.658 20 30 GFEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@H]1c1ccc(Br)c(C)c1 ZINC000884325838 663068955 /nfs/dbraw/zinc/06/89/55/663068955.db2.gz BZQRKIPYFRMCBG-HOTGVXAUSA-N 1 2 395.297 2.868 20 30 GFEDLO N#Cc1cc(/C=C2\SC(=S)N(CCC[NH+]3CCOCC3)C2=O)cs1 ZINC000899260367 663681373 /nfs/dbraw/zinc/68/13/73/663681373.db2.gz DOJWWAFWUZPZPM-ZROIWOOFSA-N 1 2 379.532 2.543 20 30 GFEDLO COc1cc([C@@H](C)[NH2+]Cc2nc(C#N)cs2)ccc1S(=O)(=O)C(F)F ZINC000903262922 663780775 /nfs/dbraw/zinc/78/07/75/663780775.db2.gz JKMZXECMKXBDBH-SECBINFHSA-N 1 2 387.433 2.870 20 30 GFEDLO CC[C@H]([NH2+]CCn1cc(Br)ccc1=O)c1cccc(C#N)c1O ZINC000926501614 664690818 /nfs/dbraw/zinc/69/08/18/664690818.db2.gz LFRYLYJFZIXAEX-HNNXBMFYSA-N 1 2 376.254 2.929 20 30 GFEDLO O=C(C[NH+]1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)NCC1CC1 ZINC000932941196 664843460 /nfs/dbraw/zinc/84/34/60/664843460.db2.gz BFZQODFPEWUDEU-IUCAKERBSA-N 1 2 380.279 2.615 20 30 GFEDLO C=CC[N@@H+](CC(=O)Nc1ccccc1SCC(N)=O)Cc1cccs1 ZINC000017306856 551112787 /nfs/dbraw/zinc/11/27/87/551112787.db2.gz KLLHZWRFVNDMRI-UHFFFAOYSA-N 1 2 375.519 2.952 20 30 GFEDLO C=CC[N@H+](CC(=O)Nc1ccccc1SCC(N)=O)Cc1cccs1 ZINC000017306856 551112791 /nfs/dbraw/zinc/11/27/91/551112791.db2.gz KLLHZWRFVNDMRI-UHFFFAOYSA-N 1 2 375.519 2.952 20 30 GFEDLO Cc1cccc(S(=O)(=O)NC[C@@H](C)[N@@H+]2CCc3sccc3C2)c1C#N ZINC000178508157 552172124 /nfs/dbraw/zinc/17/21/24/552172124.db2.gz FOUXCPOPINCUKS-CQSZACIVSA-N 1 2 375.519 2.653 20 30 GFEDLO Cc1cccc(S(=O)(=O)NC[C@@H](C)[N@H+]2CCc3sccc3C2)c1C#N ZINC000178508157 552172126 /nfs/dbraw/zinc/17/21/26/552172126.db2.gz FOUXCPOPINCUKS-CQSZACIVSA-N 1 2 375.519 2.653 20 30 GFEDLO N#Cc1ccc(S(=O)(=O)NCc2cc[nH+]c(N3CCCC3)c2)c(Cl)c1 ZINC000183457470 552309885 /nfs/dbraw/zinc/30/98/85/552309885.db2.gz DYTDZVFYADZJST-UHFFFAOYSA-N 1 2 376.869 2.685 20 30 GFEDLO N#C[C@@H]1CC[C@@H]([NH+]2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)C1 ZINC000278646702 563264659 /nfs/dbraw/zinc/26/46/59/563264659.db2.gz PLHMGOYUJNDSTM-TZMCWYRMSA-N 1 2 388.320 2.992 20 30 GFEDLO Cc1nc(C[NH+]2CCC(CNS(=O)(=O)c3ccc(C#N)s3)CC2)cs1 ZINC000375629330 563412413 /nfs/dbraw/zinc/41/24/13/563412413.db2.gz QHIHIUOGEFNLST-UHFFFAOYSA-N 1 2 396.563 2.575 20 30 GFEDLO O=C(NC[C@@H]1COCCO1)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000328666278 563462434 /nfs/dbraw/zinc/46/24/34/563462434.db2.gz ZTTWUNMRMOXRDO-HZPDHXFCSA-N 1 2 383.286 2.958 20 30 GFEDLO Cc1[nH]c2ccc(Br)cc2c1CC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000329378232 563479231 /nfs/dbraw/zinc/47/92/31/563479231.db2.gz OXHLYHIPGTUDHJ-CQSZACIVSA-N 1 2 393.329 2.984 20 30 GFEDLO Cc1[nH]c2ccc(Br)cc2c1CC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000329378232 563479234 /nfs/dbraw/zinc/47/92/34/563479234.db2.gz OXHLYHIPGTUDHJ-CQSZACIVSA-N 1 2 393.329 2.984 20 30 GFEDLO CC[N@@H+]1C[C@H](C)N(S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)C[C@H]1C ZINC000330536057 563509617 /nfs/dbraw/zinc/50/96/17/563509617.db2.gz FCPIDNWJJMEGDD-NEPJUHHUSA-N 1 2 375.416 2.680 20 30 GFEDLO CC[N@H+]1C[C@H](C)N(S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)C[C@H]1C ZINC000330536057 563509619 /nfs/dbraw/zinc/50/96/19/563509619.db2.gz FCPIDNWJJMEGDD-NEPJUHHUSA-N 1 2 375.416 2.680 20 30 GFEDLO Cc1[nH+]c2n(c1CN1CCN(c3snc(Cl)c3C#N)CC1)CCCC2 ZINC000378524887 563509772 /nfs/dbraw/zinc/50/97/72/563509772.db2.gz CUMAXGJBUSPIFM-UHFFFAOYSA-N 1 2 376.917 2.832 20 30 GFEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000285582891 563527911 /nfs/dbraw/zinc/52/79/11/563527911.db2.gz OLRDAAACGUYUSE-OAHLLOKOSA-N 1 2 375.778 2.929 20 30 GFEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000285582891 563527915 /nfs/dbraw/zinc/52/79/15/563527915.db2.gz OLRDAAACGUYUSE-OAHLLOKOSA-N 1 2 375.778 2.929 20 30 GFEDLO CCOc1c(Cl)cc(NC(=O)NC[C@H]2CN(C)CC[N@@H+]2C)cc1Cl ZINC000330997099 563530564 /nfs/dbraw/zinc/53/05/64/563530564.db2.gz OSNQYAYTJMERCY-LBPRGKRZSA-N 1 2 375.300 2.964 20 30 GFEDLO CCOc1c(Cl)cc(NC(=O)NC[C@H]2CN(C)CC[N@H+]2C)cc1Cl ZINC000330997099 563530567 /nfs/dbraw/zinc/53/05/67/563530567.db2.gz OSNQYAYTJMERCY-LBPRGKRZSA-N 1 2 375.300 2.964 20 30 GFEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@H]1c1ccc(Br)c(C)c1 ZINC000430228709 563539656 /nfs/dbraw/zinc/53/96/56/563539656.db2.gz TXDFRAPALRKUFZ-HNNXBMFYSA-N 1 2 380.286 2.906 20 30 GFEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H]1c1ccc(Br)c(C)c1 ZINC000430228709 563539658 /nfs/dbraw/zinc/53/96/58/563539658.db2.gz TXDFRAPALRKUFZ-HNNXBMFYSA-N 1 2 380.286 2.906 20 30 GFEDLO N#Cc1ccc(S(=O)(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)o1 ZINC000286583029 563566827 /nfs/dbraw/zinc/56/68/27/563566827.db2.gz JWIVCMGDBDWUPR-UHFFFAOYSA-N 1 2 379.869 2.748 20 30 GFEDLO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CC[S@](=O)[C@H](C)C3)sc2C1 ZINC000332004608 563571556 /nfs/dbraw/zinc/57/15/56/563571556.db2.gz WQFGLABEEJARNU-DSGZJRDPSA-N 1 2 379.551 2.526 20 30 GFEDLO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CC[S@](=O)[C@H](C)C3)sc2C1 ZINC000332004608 563571558 /nfs/dbraw/zinc/57/15/58/563571558.db2.gz WQFGLABEEJARNU-DSGZJRDPSA-N 1 2 379.551 2.526 20 30 GFEDLO COCCCNC(=O)C1CC[NH+](Cc2ccc(Br)cc2C#N)CC1 ZINC000287428797 563601391 /nfs/dbraw/zinc/60/13/91/563601391.db2.gz UCQIMDSYMLLEGP-UHFFFAOYSA-N 1 2 394.313 2.685 20 30 GFEDLO C[N@H+](CCn1cc(Br)cn1)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000288780095 563657069 /nfs/dbraw/zinc/65/70/69/563657069.db2.gz KKHRISGXKIVSMN-UHFFFAOYSA-N 1 2 396.676 2.741 20 30 GFEDLO C[N@@H+](CCn1cc(Br)cn1)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000288780095 563657070 /nfs/dbraw/zinc/65/70/70/563657070.db2.gz KKHRISGXKIVSMN-UHFFFAOYSA-N 1 2 396.676 2.741 20 30 GFEDLO Cc1cnc([C@@H]2CCC[N@H+](CCS(=O)(=O)c3ccc(C#N)cc3)C2)s1 ZINC000363124611 563715143 /nfs/dbraw/zinc/71/51/43/563715143.db2.gz XXLKSCCXAMDENN-MRXNPFEDSA-N 1 2 375.519 2.977 20 30 GFEDLO Cc1cnc([C@@H]2CCC[N@@H+](CCS(=O)(=O)c3ccc(C#N)cc3)C2)s1 ZINC000363124611 563715145 /nfs/dbraw/zinc/71/51/45/563715145.db2.gz XXLKSCCXAMDENN-MRXNPFEDSA-N 1 2 375.519 2.977 20 30 GFEDLO C[N@H+](CCC#N)C[C@@H](O)CSc1nnc(Cc2cccs2)n1C1CC1 ZINC000414095175 563718845 /nfs/dbraw/zinc/71/88/45/563718845.db2.gz JVJHOSGBGSJONC-CQSZACIVSA-N 1 2 377.539 2.564 20 30 GFEDLO C[N@@H+](CCC#N)C[C@@H](O)CSc1nnc(Cc2cccs2)n1C1CC1 ZINC000414095175 563718848 /nfs/dbraw/zinc/71/88/48/563718848.db2.gz JVJHOSGBGSJONC-CQSZACIVSA-N 1 2 377.539 2.564 20 30 GFEDLO N#Cc1cc(Br)ccc1C(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000294523386 563845379 /nfs/dbraw/zinc/84/53/79/563845379.db2.gz TZGZZEGLEMLLMY-UHFFFAOYSA-N 1 2 385.265 2.674 20 30 GFEDLO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH+]1CCC(F)(C#N)CC1 ZINC000449313972 564179726 /nfs/dbraw/zinc/17/97/26/564179726.db2.gz BLMCFFUXZXKKKV-LBPRGKRZSA-N 1 2 398.276 2.790 20 30 GFEDLO Cc1nn(C)c(N2CC[NH+](Cc3ccc(Br)cc3C)CC2)c1C#N ZINC000471812671 564205277 /nfs/dbraw/zinc/20/52/77/564205277.db2.gz WKAXGUQHWLLOPU-UHFFFAOYSA-N 1 2 388.313 2.993 20 30 GFEDLO COC(=O)c1cccc(C[NH2+][C@H](CO)c2ccc(Br)cc2)c1C#N ZINC000541055150 564265082 /nfs/dbraw/zinc/26/50/82/564265082.db2.gz RTPWOIWJMPFECQ-QGZVFWFLSA-N 1 2 389.249 2.931 20 30 GFEDLO C[C@H](c1ccsc1)[NH+]1CCN(S(=O)(=O)Cc2ccc(C#N)cc2)CC1 ZINC000565444515 564280518 /nfs/dbraw/zinc/28/05/18/564280518.db2.gz QKKOLKDUWUYYTH-OAHLLOKOSA-N 1 2 375.519 2.828 20 30 GFEDLO C=CCN(Cc1c[nH+]c2c(C)cc(Br)cn12)[C@@H]1CCS(=O)(=O)C1 ZINC000541536834 564282344 /nfs/dbraw/zinc/28/23/44/564282344.db2.gz QQTZDQUHHBYWPO-CQSZACIVSA-N 1 2 398.326 2.580 20 30 GFEDLO C=CCCOCCNC(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000544682858 564394203 /nfs/dbraw/zinc/39/42/03/564394203.db2.gz ISRMETRODLTJCF-UHFFFAOYSA-N 1 2 381.274 2.797 20 30 GFEDLO COCC[C@H](Cc1cccc(Br)c1)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000568396495 564417570 /nfs/dbraw/zinc/41/75/70/564417570.db2.gz KGVHNGPJSIULFZ-CRAIPNDOSA-N 1 2 396.329 2.604 20 30 GFEDLO N#Cc1cccc(CNC(=O)C[NH2+][C@H](CO)c2c(Cl)cccc2Cl)c1 ZINC000483244870 564561930 /nfs/dbraw/zinc/56/19/30/564561930.db2.gz XLMYLWFWRLYQBW-MRXNPFEDSA-N 1 2 378.259 2.804 20 30 GFEDLO C=CC[N@@H+](CCOC)[C@@H](C)C(=O)Nc1cccc(I)c1 ZINC000484683202 564594567 /nfs/dbraw/zinc/59/45/67/564594567.db2.gz VRGZGEXTPXMQPR-LBPRGKRZSA-N 1 2 388.249 2.753 20 30 GFEDLO C=CC[N@H+](CCOC)[C@@H](C)C(=O)Nc1cccc(I)c1 ZINC000484683202 564594569 /nfs/dbraw/zinc/59/45/69/564594569.db2.gz VRGZGEXTPXMQPR-LBPRGKRZSA-N 1 2 388.249 2.753 20 30 GFEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)c2c(C)c(C)sc2Br)c1C#N ZINC000579670186 564751463 /nfs/dbraw/zinc/75/14/63/564751463.db2.gz FQCIDZXGMNEBRZ-UHFFFAOYSA-N 1 2 396.314 2.548 20 30 GFEDLO C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCn2cc[nH+]c2C1 ZINC000460938011 564785646 /nfs/dbraw/zinc/78/56/46/564785646.db2.gz PLVRWJAROBMDLW-UHFFFAOYSA-N 1 2 388.273 2.829 20 30 GFEDLO C[C@H](O)CNc1[nH+]c2ccccc2n1Cc1cc(C#N)ccc1Br ZINC000492745387 564803804 /nfs/dbraw/zinc/80/38/04/564803804.db2.gz IISKHRXCNFSZFV-LBPRGKRZSA-N 1 2 385.265 2.933 20 30 GFEDLO N#Cc1ccc(NC(=O)C[N@@H+](CCO)Cc2cc(Br)cs2)cc1 ZINC000494280486 564822265 /nfs/dbraw/zinc/82/22/65/564822265.db2.gz VYWOLGRJEONEBM-UHFFFAOYSA-N 1 2 394.294 2.815 20 30 GFEDLO N#Cc1ccc(NC(=O)C[N@H+](CCO)Cc2cc(Br)cs2)cc1 ZINC000494280486 564822266 /nfs/dbraw/zinc/82/22/66/564822266.db2.gz VYWOLGRJEONEBM-UHFFFAOYSA-N 1 2 394.294 2.815 20 30 GFEDLO COC(=O)C[N@@H+]1CCC[C@@H](CNc2cc(Br)c(C#N)cc2F)C1 ZINC000583094500 564875812 /nfs/dbraw/zinc/87/58/12/564875812.db2.gz NAQXIKPGKHPEHG-NSHDSACASA-N 1 2 384.249 2.757 20 30 GFEDLO COC(=O)C[N@H+]1CCC[C@@H](CNc2cc(Br)c(C#N)cc2F)C1 ZINC000583094500 564875816 /nfs/dbraw/zinc/87/58/16/564875816.db2.gz NAQXIKPGKHPEHG-NSHDSACASA-N 1 2 384.249 2.757 20 30 GFEDLO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2nc(C#N)cs2)cc1 ZINC000583112672 564876378 /nfs/dbraw/zinc/87/63/78/564876378.db2.gz BBRKPYAINHKZQW-CYBMUJFWSA-N 1 2 378.523 2.896 20 30 GFEDLO NS(=O)(=O)c1cc(C[N@@H+]2C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C2)ccc1F ZINC000638158552 565187882 /nfs/dbraw/zinc/18/78/82/565187882.db2.gz JZXGBTPPRIGTOY-DTORHVGOSA-N 1 2 394.312 2.646 20 30 GFEDLO NS(=O)(=O)c1cc(C[N@H+]2C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C2)ccc1F ZINC000638158552 565187883 /nfs/dbraw/zinc/18/78/83/565187883.db2.gz JZXGBTPPRIGTOY-DTORHVGOSA-N 1 2 394.312 2.646 20 30 GFEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000619719280 565356008 /nfs/dbraw/zinc/35/60/08/565356008.db2.gz HRPLSCGJKNNDLF-OAHLLOKOSA-N 1 2 381.270 2.827 20 30 GFEDLO N#Cc1ccc([C@@H](C(N)=O)[NH+]2CCN(c3ccc(Br)cc3)CC2)cc1 ZINC000595722812 565488455 /nfs/dbraw/zinc/48/84/55/565488455.db2.gz KUEHBQABQLUJNH-SFHVURJKSA-N 1 2 399.292 2.669 20 30 GFEDLO CN(CCC#N)C(=O)CC[N@@H+]1CCOC[C@@H]1c1cccc(Br)c1 ZINC000595758439 565490708 /nfs/dbraw/zinc/49/07/08/565490708.db2.gz AEOKGSFWLNTFST-MRXNPFEDSA-N 1 2 380.286 2.585 20 30 GFEDLO CN(CCC#N)C(=O)CC[N@H+]1CCOC[C@@H]1c1cccc(Br)c1 ZINC000595758439 565490711 /nfs/dbraw/zinc/49/07/11/565490711.db2.gz AEOKGSFWLNTFST-MRXNPFEDSA-N 1 2 380.286 2.585 20 30 GFEDLO COC(=O)[C@@H](c1cccc(Br)c1)[N@H+](C)C[C@@H](O)CC(C)(C)C#N ZINC000598602019 565628865 /nfs/dbraw/zinc/62/88/65/565628865.db2.gz ZCQGQNQFHRIFQF-LSDHHAIUSA-N 1 2 383.286 2.896 20 30 GFEDLO COC(=O)[C@@H](c1cccc(Br)c1)[N@@H+](C)C[C@@H](O)CC(C)(C)C#N ZINC000598602019 565628868 /nfs/dbraw/zinc/62/88/68/565628868.db2.gz ZCQGQNQFHRIFQF-LSDHHAIUSA-N 1 2 383.286 2.896 20 30 GFEDLO C[C@@H](CNS(=O)(=O)c1ccccc1CC#N)[N@@H+]1CCc2sccc2C1 ZINC000601302609 565774577 /nfs/dbraw/zinc/77/45/77/565774577.db2.gz RVRCBBCPMZWFLR-AWEZNQCLSA-N 1 2 375.519 2.539 20 30 GFEDLO C[C@@H](CNS(=O)(=O)c1ccccc1CC#N)[N@H+]1CCc2sccc2C1 ZINC000601302609 565774584 /nfs/dbraw/zinc/77/45/84/565774584.db2.gz RVRCBBCPMZWFLR-AWEZNQCLSA-N 1 2 375.519 2.539 20 30 GFEDLO CC(C)(C)C[N@H+](CCC#N)Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000602465615 565849890 /nfs/dbraw/zinc/84/98/90/565849890.db2.gz QKCKJGDMQZFSKJ-UHFFFAOYSA-N 1 2 388.331 2.858 20 30 GFEDLO CC(C)(C)C[N@@H+](CCC#N)Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000602465615 565849894 /nfs/dbraw/zinc/84/98/94/565849894.db2.gz QKCKJGDMQZFSKJ-UHFFFAOYSA-N 1 2 388.331 2.858 20 30 GFEDLO N#Cc1cc(N2CC[NH+](Cc3cn4ccccc4n3)CC2)ncc1Br ZINC000603271703 565893492 /nfs/dbraw/zinc/89/34/92/565893492.db2.gz CWGBQTBXZQOEEP-UHFFFAOYSA-N 1 2 397.280 2.686 20 30 GFEDLO N#Cc1ccc(S(=O)(=O)NCC[N@@H+]2CCc3ccccc3C2)cc1Cl ZINC000603973607 565920623 /nfs/dbraw/zinc/92/06/23/565920623.db2.gz SKXZXOJPRHXWDG-UHFFFAOYSA-N 1 2 375.881 2.548 20 30 GFEDLO N#Cc1ccc(S(=O)(=O)NCC[N@H+]2CCc3ccccc3C2)cc1Cl ZINC000603973607 565920628 /nfs/dbraw/zinc/92/06/28/565920628.db2.gz SKXZXOJPRHXWDG-UHFFFAOYSA-N 1 2 375.881 2.548 20 30 GFEDLO C=C(C)C[C@@H]1NC(=O)N(Cc2cn3cc(Br)cc(C)c3[nH+]2)C1=O ZINC000630978966 565930235 /nfs/dbraw/zinc/93/02/35/565930235.db2.gz LRLRRCCCJJIWRZ-ZDUSSCGKSA-N 1 2 377.242 2.792 20 30 GFEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)[C@H](C)c2c(Cl)cccc2Cl)c1C#N ZINC000611166427 566118695 /nfs/dbraw/zinc/11/86/95/566118695.db2.gz KPOZVYKUHLVHSY-SNVBAGLBSA-N 1 2 380.279 2.904 20 30 GFEDLO CC(C)c1nc(-c2nn[nH]n2)c(N=NC2CC[N@H+](Cc3ccccn3)C[C@H]2C)o1 ZINC000736289186 599009729 /nfs/dbraw/zinc/00/97/29/599009729.db2.gz KLOPAZZMIQAYAV-CYBMUJFWSA-N 1 2 395.471 2.683 20 30 GFEDLO CC(C)c1nc(-c2nn[nH]n2)c(N=NC2CC[N@@H+](Cc3ccccn3)C[C@H]2C)o1 ZINC000736289186 599009731 /nfs/dbraw/zinc/00/97/31/599009731.db2.gz KLOPAZZMIQAYAV-CYBMUJFWSA-N 1 2 395.471 2.683 20 30 GFEDLO C=C1CC[NH+](CC(=O)Nc2c(-c3nn[nH]n3)c(C)c(C)n2-c2ccccc2)CC1 ZINC000735403494 598504928 /nfs/dbraw/zinc/50/49/28/598504928.db2.gz XJGDUWBFKABIDQ-UHFFFAOYSA-N 1 2 391.479 2.865 20 30 GFEDLO CC1(C)CN(Cc2ccc(-c3nn[nH]n3)cc2)CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000820601223 606086847 /nfs/dbraw/zinc/08/68/47/606086847.db2.gz FYKWLKDBSDDJQM-UHFFFAOYSA-N 1 2 387.491 2.835 20 30 GFEDLO CC1(C)CN(Cc2ccc(-c3nn[nH]n3)cc2)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC000820601223 606086850 /nfs/dbraw/zinc/08/68/50/606086850.db2.gz FYKWLKDBSDDJQM-UHFFFAOYSA-N 1 2 387.491 2.835 20 30 GFEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824047255 608465391 /nfs/dbraw/zinc/46/53/91/608465391.db2.gz ZFOGSNWTYPBBIF-HNNXBMFYSA-N 1 2 399.458 2.855 20 30 GFEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824047255 608465392 /nfs/dbraw/zinc/46/53/92/608465392.db2.gz ZFOGSNWTYPBBIF-HNNXBMFYSA-N 1 2 399.458 2.855 20 30 GFEDLO C=CCSCCNC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000132603126 654943280 /nfs/dbraw/zinc/94/32/80/654943280.db2.gz HRWAUXYSFJOTMN-DLBZAZTESA-N 1 2 383.945 2.930 20 30 GFEDLO C=CCSCCNC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000132603126 654943283 /nfs/dbraw/zinc/94/32/83/654943283.db2.gz HRWAUXYSFJOTMN-DLBZAZTESA-N 1 2 383.945 2.930 20 30 GFEDLO C#CC[NH+]1CCC(C(=O)Nc2nc(-c3ccc(Br)cc3)n[nH]2)CC1 ZINC000102752764 655059638 /nfs/dbraw/zinc/05/96/38/655059638.db2.gz GVNFXQOEYOXZID-UHFFFAOYSA-N 1 2 388.269 2.518 20 30 GFEDLO CC1(C#N)CC[NH+](CC(=O)Nc2ccc(I)cc2)CC1 ZINC000272479005 655114113 /nfs/dbraw/zinc/11/41/13/655114113.db2.gz AVJOSJOZTSQVTJ-UHFFFAOYSA-N 1 2 383.233 2.855 20 30 GFEDLO Cc1csc(C2CC[NH+](CCS(=O)(=O)c3ccc(C#N)cc3)CC2)n1 ZINC000176222622 655239869 /nfs/dbraw/zinc/23/98/69/655239869.db2.gz KNNBRPYWKBICMT-UHFFFAOYSA-N 1 2 375.519 2.977 20 30 GFEDLO C=CCC[C@H]1NC(=O)N(CCc2cn3cc(Br)cc(C)c3[nH+]2)C1=O ZINC000419932530 655407027 /nfs/dbraw/zinc/40/70/27/655407027.db2.gz DTXXSSNXEPQRMB-CQSZACIVSA-N 1 2 391.269 2.834 20 30 GFEDLO C#CCNC(=O)C1CC[NH+]([C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)CC1 ZINC000747824741 655784002 /nfs/dbraw/zinc/78/40/02/655784002.db2.gz RBKWWYKBHGLBFY-GFCCVEGCSA-N 1 2 382.291 2.782 20 30 GFEDLO C[NH+]1CCN(c2ccc(NC(=O)c3c[nH]c(C#N)c3)cc2Br)CC1 ZINC000787537213 657568087 /nfs/dbraw/zinc/56/80/87/657568087.db2.gz VDEQSYDVHISXOQ-UHFFFAOYSA-N 1 2 388.269 2.653 20 30 GFEDLO C#CC[N@H+]1CCC[C@@H]1COC(=O)CCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000796988006 658958632 /nfs/dbraw/zinc/95/86/32/658958632.db2.gz FSNNRHVAYBFTLS-MRXNPFEDSA-N 1 2 383.897 2.535 20 30 GFEDLO C#CC[N@@H+]1CCC[C@@H]1COC(=O)CCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000796988006 658958642 /nfs/dbraw/zinc/95/86/42/658958642.db2.gz FSNNRHVAYBFTLS-MRXNPFEDSA-N 1 2 383.897 2.535 20 30 GFEDLO O=[N+]([O-])c1cc(Br)cc2c1OCCC2=NNCCCn1cc[nH+]c1 ZINC000848417944 661646087 /nfs/dbraw/zinc/64/60/87/661646087.db2.gz HVDIJDSBSGPFJP-UHFFFAOYSA-N 1 2 394.229 2.720 20 30 GFEDLO FC1(F)[C@@H]2C[NH+](CN3CCOC3=S)C[C@H]2C(F)(F)C(F)(F)C1(F)F ZINC000902524176 663762571 /nfs/dbraw/zinc/76/25/71/663762571.db2.gz PGJBEOHAVSNQCB-RNFRBKRXSA-N 1 2 384.292 2.664 20 30 GFEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)Nc2cc(C(C)=O)ccc2Br)C1 ZINC000932221202 664814761 /nfs/dbraw/zinc/81/47/61/664814761.db2.gz QQVMRZYWQKOSAV-CQSZACIVSA-N 1 2 378.270 2.871 20 30 GFEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)Nc2cc(C(C)=O)ccc2Br)C1 ZINC000932221202 664814764 /nfs/dbraw/zinc/81/47/64/664814764.db2.gz QQVMRZYWQKOSAV-CQSZACIVSA-N 1 2 378.270 2.871 20 30 GFEDLO N#Cc1c(Cl)ccnc1N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164943615 721971448 /nfs/dbraw/zinc/97/14/48/721971448.db2.gz AIYBXLGQDFXJIX-UHFFFAOYSA-N 1 2 395.894 2.578 20 30 GFEDLO N#Cc1c(Cl)ccnc1N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164943615 721971451 /nfs/dbraw/zinc/97/14/51/721971451.db2.gz AIYBXLGQDFXJIX-UHFFFAOYSA-N 1 2 395.894 2.578 20 30 GFEDLO N#Cc1ccc2ncc(C[NH+]3CCN(c4ccc(Br)cn4)CC3)n2c1 ZINC000130377225 551364054 /nfs/dbraw/zinc/36/40/54/551364054.db2.gz NGRMMQHGIGBHMR-UHFFFAOYSA-N 1 2 397.280 2.686 20 30 GFEDLO CCc1ccc(C[NH+]2CCN(S(=O)(=O)c3ccccc3C#N)CC2)s1 ZINC000159582284 551567440 /nfs/dbraw/zinc/56/74/40/551567440.db2.gz ZSKUZVBFCAURJK-UHFFFAOYSA-N 1 2 375.519 2.689 20 30 GFEDLO CC[N@@H+]1CC[C@H](NS(=O)(=O)CC2(C#N)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000248621571 553132053 /nfs/dbraw/zinc/13/20/53/553132053.db2.gz CRNGIMJXNVDPNQ-JKSUJKDBSA-N 1 2 385.892 2.838 20 30 GFEDLO CC[N@H+]1CC[C@H](NS(=O)(=O)CC2(C#N)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000248621571 553132055 /nfs/dbraw/zinc/13/20/55/553132055.db2.gz CRNGIMJXNVDPNQ-JKSUJKDBSA-N 1 2 385.892 2.838 20 30 GFEDLO Cc1cc(NC[C@H](CO)Cc2ccc(F)c(Br)c2)c(C#N)c[nH+]1 ZINC000425268865 563416494 /nfs/dbraw/zinc/41/64/94/563416494.db2.gz PYNLTKWAPHBQDY-CYBMUJFWSA-N 1 2 378.245 2.848 20 30 GFEDLO N#Cc1ccc(NC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)c(Cl)c1 ZINC000426134957 563445026 /nfs/dbraw/zinc/44/50/26/563445026.db2.gz YGBPXFHGXZCNAG-QGZVFWFLSA-N 1 2 380.901 2.541 20 30 GFEDLO [O-]C(N[C@@H]1CCOc2ccc(Br)cc21)=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330169141 563497649 /nfs/dbraw/zinc/49/76/49/563497649.db2.gz BGAJJTARWIPLGA-TZMCWYRMSA-N 1 2 391.269 2.988 20 30 GFEDLO CC[N@@H+]1C[C@H](C)N(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)C[C@@H]1C ZINC000330572794 563512081 /nfs/dbraw/zinc/51/20/81/563512081.db2.gz YZHKWNQLZSDWFB-RYUDHWBXSA-N 1 2 375.416 2.680 20 30 GFEDLO CC[N@H+]1C[C@H](C)N(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)C[C@@H]1C ZINC000330572794 563512085 /nfs/dbraw/zinc/51/20/85/563512085.db2.gz YZHKWNQLZSDWFB-RYUDHWBXSA-N 1 2 375.416 2.680 20 30 GFEDLO C[C@H]([NH2+][C@@H]1CCC[C@H]1C#N)C(=O)Nc1ccc(I)cc1 ZINC000331356913 563547331 /nfs/dbraw/zinc/54/73/31/563547331.db2.gz SNQPFEGJPKGZFX-COPLHBTASA-N 1 2 383.233 2.900 20 30 GFEDLO C[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(C#N)o2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000331607475 563555015 /nfs/dbraw/zinc/55/50/15/563555015.db2.gz VXZDWVPXKBDVHE-HOCLYGCPSA-N 1 2 383.832 2.667 20 30 GFEDLO C[N@H+]1CC[C@H](NS(=O)(=O)c2ccc(C#N)o2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000331607475 563555017 /nfs/dbraw/zinc/55/50/17/563555017.db2.gz VXZDWVPXKBDVHE-HOCLYGCPSA-N 1 2 383.832 2.667 20 30 GFEDLO C[N@H+](CCC#N)C[C@H](O)CSc1nnc(COc2ccc(Cl)cc2)o1 ZINC000414098445 563719404 /nfs/dbraw/zinc/71/94/04/563719404.db2.gz PAGKJSLLOIVZBS-ZDUSSCGKSA-N 1 2 382.873 2.600 20 30 GFEDLO C[N@@H+](CCC#N)C[C@H](O)CSc1nnc(COc2ccc(Cl)cc2)o1 ZINC000414098445 563719406 /nfs/dbraw/zinc/71/94/06/563719406.db2.gz PAGKJSLLOIVZBS-ZDUSSCGKSA-N 1 2 382.873 2.600 20 30 GFEDLO C=CCOCC(=O)N(CCCn1cc[nH+]c1)c1ccc(Br)cn1 ZINC000416036967 563803302 /nfs/dbraw/zinc/80/33/02/563803302.db2.gz WAZIUWYSGVTIIZ-UHFFFAOYSA-N 1 2 379.258 2.667 20 30 GFEDLO C[C@@H](C#N)S(=O)(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000416457079 563831557 /nfs/dbraw/zinc/83/15/57/563831557.db2.gz NHWXUUIQGJHJIX-NSHDSACASA-N 1 2 376.309 2.789 20 30 GFEDLO CC[C@@H]1CN(C(=O)c2ccc(Br)cc2C#N)C[C@@H]1[NH+]1CCOCC1 ZINC000450034509 564214529 /nfs/dbraw/zinc/21/45/29/564214529.db2.gz LDYSBVKVGAMLCH-DYVFJYSZSA-N 1 2 392.297 2.504 20 30 GFEDLO Cc1nn(C)c(N2CC[NH+](Cc3cccc(Br)c3C)CC2)c1C#N ZINC000472161804 564214609 /nfs/dbraw/zinc/21/46/09/564214609.db2.gz XOVDINGIKKQBHW-UHFFFAOYSA-N 1 2 388.313 2.993 20 30 GFEDLO CC1(C#N)CC[NH+]([C@@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)CC1 ZINC000540930273 564260538 /nfs/dbraw/zinc/26/05/38/564260538.db2.gz ULVDUTFNXDWTJI-CQSZACIVSA-N 1 2 376.254 2.707 20 30 GFEDLO N#CCCN(CCC#N)C(=O)C[N@H+]1CC[C@@H](c2cccc(Br)c2)C1 ZINC000451574786 564327400 /nfs/dbraw/zinc/32/74/00/564327400.db2.gz WEFNDOIATPOGCJ-MRXNPFEDSA-N 1 2 389.297 2.894 20 30 GFEDLO N#CCCN(CCC#N)C(=O)C[N@@H+]1CC[C@@H](c2cccc(Br)c2)C1 ZINC000451574786 564327404 /nfs/dbraw/zinc/32/74/04/564327404.db2.gz WEFNDOIATPOGCJ-MRXNPFEDSA-N 1 2 389.297 2.894 20 30 GFEDLO C[N@H+](Cc1ccccc1)C1CN(S(=O)(=O)c2ccc(Cl)cc2C#N)C1 ZINC000510492598 564335711 /nfs/dbraw/zinc/33/57/11/564335711.db2.gz RLKGOLQZIKRWDB-UHFFFAOYSA-N 1 2 375.881 2.717 20 30 GFEDLO C[N@@H+](Cc1ccccc1)C1CN(S(=O)(=O)c2ccc(Cl)cc2C#N)C1 ZINC000510492598 564335712 /nfs/dbraw/zinc/33/57/12/564335712.db2.gz RLKGOLQZIKRWDB-UHFFFAOYSA-N 1 2 375.881 2.717 20 30 GFEDLO CS(=O)(=O)C[C@@H]1CCCC[N@@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000451654618 564336179 /nfs/dbraw/zinc/33/61/79/564336179.db2.gz VLWUYQRRRYCPFJ-HNNXBMFYSA-N 1 2 375.412 2.836 20 30 GFEDLO CS(=O)(=O)C[C@@H]1CCCC[N@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000451654618 564336184 /nfs/dbraw/zinc/33/61/84/564336184.db2.gz VLWUYQRRRYCPFJ-HNNXBMFYSA-N 1 2 375.412 2.836 20 30 GFEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000451893471 564363248 /nfs/dbraw/zinc/36/32/48/564363248.db2.gz QQFDXFRBVHLGAM-OLUVUFQESA-N 1 2 375.778 2.784 20 30 GFEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000451893471 564363250 /nfs/dbraw/zinc/36/32/50/564363250.db2.gz QQFDXFRBVHLGAM-OLUVUFQESA-N 1 2 375.778 2.784 20 30 GFEDLO Cc1cc(Br)cn2cc(CNC(=O)c3ccc(C#N)c(C)n3)[nH+]c12 ZINC000544775230 564398497 /nfs/dbraw/zinc/39/84/97/564398497.db2.gz PKNHNGKUVVTJSR-UHFFFAOYSA-N 1 2 384.237 2.910 20 30 GFEDLO Cc1ccc2c(ncc(C#N)c2N(C)CC[NH+]2CCOCC2)c1Br ZINC000479972141 564456096 /nfs/dbraw/zinc/45/60/96/564456096.db2.gz WLIQTLGSVZGRPK-UHFFFAOYSA-N 1 2 389.297 2.946 20 30 GFEDLO N#Cc1cc(F)c(S(=O)(=O)N2CCc3c[nH+]ccc32)cc1Br ZINC000569527141 564467647 /nfs/dbraw/zinc/46/76/47/564467647.db2.gz MILDYSLMAQVFRK-UHFFFAOYSA-N 1 2 382.214 2.606 20 30 GFEDLO CC[C@H]1C[N@H+](CCNC(=O)Nc2ccc(C#N)c(Br)c2)CCO1 ZINC000487997924 564701659 /nfs/dbraw/zinc/70/16/59/564701659.db2.gz XFBVCIBMJHFGTE-AWEZNQCLSA-N 1 2 381.274 2.553 20 30 GFEDLO CC[C@H]1C[N@@H+](CCNC(=O)Nc2ccc(C#N)c(Br)c2)CCO1 ZINC000487997924 564701661 /nfs/dbraw/zinc/70/16/61/564701661.db2.gz XFBVCIBMJHFGTE-AWEZNQCLSA-N 1 2 381.274 2.553 20 30 GFEDLO C=CCC[C@H](CO)NC(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000458643903 564709700 /nfs/dbraw/zinc/70/97/00/564709700.db2.gz CSXGTEKXOXFJDP-OAHLLOKOSA-N 1 2 395.301 2.574 20 30 GFEDLO N#Cc1cccc(N2CC[NH+](Cc3cn4ccc(Br)cc4n3)CC2)n1 ZINC000576273507 564711143 /nfs/dbraw/zinc/71/11/43/564711143.db2.gz ZSDWATKETFAWHG-UHFFFAOYSA-N 1 2 397.280 2.686 20 30 GFEDLO C[C@@H]([NH2+]Cc1ccc(Br)cc1C#N)c1cccc(S(N)(=O)=O)c1 ZINC000558103980 564893055 /nfs/dbraw/zinc/89/30/55/564893055.db2.gz PBXJZPLTBQAABY-LLVKDONJSA-N 1 2 394.294 2.819 20 30 GFEDLO C=CC[N@@H+](CCN1C(=O)NC(C)(C)C1=O)Cc1cc(Br)ccc1F ZINC000502198493 564994162 /nfs/dbraw/zinc/99/41/62/564994162.db2.gz VCUATXBWVXHQKJ-UHFFFAOYSA-N 1 2 398.276 2.907 20 30 GFEDLO C=CC[N@H+](CCN1C(=O)NC(C)(C)C1=O)Cc1cc(Br)ccc1F ZINC000502198493 564994164 /nfs/dbraw/zinc/99/41/64/564994164.db2.gz VCUATXBWVXHQKJ-UHFFFAOYSA-N 1 2 398.276 2.907 20 30 GFEDLO C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1S(=O)(=O)c1ccsc1C#N ZINC000593568801 565342872 /nfs/dbraw/zinc/34/28/72/565342872.db2.gz JCYRWPZGXCCQEE-LSDHHAIUSA-N 1 2 375.519 2.903 20 30 GFEDLO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1S(=O)(=O)c1ccsc1C#N ZINC000593568801 565342873 /nfs/dbraw/zinc/34/28/73/565342873.db2.gz JCYRWPZGXCCQEE-LSDHHAIUSA-N 1 2 375.519 2.903 20 30 GFEDLO N#Cc1ccc(Oc2cc(-n3cc[nH+]c3)ncn2)c(I)c1 ZINC000619588923 565351105 /nfs/dbraw/zinc/35/11/05/565351105.db2.gz CCDCSVYOWJCODB-UHFFFAOYSA-N 1 2 389.156 2.931 20 30 GFEDLO N#CC1(C[C@H](O)C[N@@H+]2CCc3sc(Br)cc3C2)CCOCC1 ZINC000599334885 565671534 /nfs/dbraw/zinc/67/15/34/565671534.db2.gz KGERJULBDNFYMC-ZDUSSCGKSA-N 1 2 385.327 2.940 20 30 GFEDLO N#CC1(C[C@H](O)C[N@H+]2CCc3sc(Br)cc3C2)CCOCC1 ZINC000599334885 565671537 /nfs/dbraw/zinc/67/15/37/565671537.db2.gz KGERJULBDNFYMC-ZDUSSCGKSA-N 1 2 385.327 2.940 20 30 GFEDLO OC[C@@H](O)C[N@H+](CCC(F)(F)F)Cc1c(F)cccc1OC(F)(F)F ZINC000671306375 565761167 /nfs/dbraw/zinc/76/11/67/565761167.db2.gz ZXXAKLRBKZUQEY-VIFPVBQESA-N 1 2 379.272 2.832 20 30 GFEDLO OC[C@@H](O)C[N@@H+](CCC(F)(F)F)Cc1c(F)cccc1OC(F)(F)F ZINC000671306375 565761168 /nfs/dbraw/zinc/76/11/68/565761168.db2.gz ZXXAKLRBKZUQEY-VIFPVBQESA-N 1 2 379.272 2.832 20 30 GFEDLO C[C@H]1C[NH+](CC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)C[C@H](C)N1CC#N ZINC000602861837 565872111 /nfs/dbraw/zinc/87/21/11/565872111.db2.gz MCHAYPCFIGRGEI-KBPBESRZSA-N 1 2 383.323 2.870 20 30 GFEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Nc1cscc1Br ZINC000603018441 565879133 /nfs/dbraw/zinc/87/91/33/565879133.db2.gz RAKZGFHPXGMBHY-UHFFFAOYSA-N 1 2 387.303 2.590 20 30 GFEDLO Cc1cc(NC(=O)[C@@H](C)[NH+]2CCN(CCC#N)CC2)ccc1Br ZINC000611174137 566119310 /nfs/dbraw/zinc/11/93/10/566119310.db2.gz WUGGFFFPGWJEHQ-CQSZACIVSA-N 1 2 379.302 2.616 20 30 GFEDLO C=CCOc1ccccc1C[NH+]1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823931981 608501532 /nfs/dbraw/zinc/50/15/32/608501532.db2.gz JRYFPDHEBRKNAG-UHFFFAOYSA-N 1 2 390.491 2.749 20 30 GFEDLO N#Cc1ccc(C[N@@H+]2CCCN(Cc3ccc(-c4nn[nH]n4)s3)CC2)cc1 ZINC000826384849 608509723 /nfs/dbraw/zinc/50/97/23/608509723.db2.gz LUQJMHGWOZQLNP-UHFFFAOYSA-N 1 2 379.493 2.508 20 30 GFEDLO N#Cc1ccc(C[N@H+]2CCCN(Cc3ccc(-c4nn[nH]n4)s3)CC2)cc1 ZINC000826384849 608509724 /nfs/dbraw/zinc/50/97/24/608509724.db2.gz LUQJMHGWOZQLNP-UHFFFAOYSA-N 1 2 379.493 2.508 20 30 GFEDLO NC(=[NH+]OCc1ccc(F)cc1-c1nn[nH]n1)c1ccc(Br)cc1 ZINC000826388287 660454241 /nfs/dbraw/zinc/45/42/41/660454241.db2.gz QGMKBHMMRXZUFD-UHFFFAOYSA-N 1 2 391.204 2.605 20 30 GFEDLO N#Cc1c(Cl)nsc1NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000266455118 654880073 /nfs/dbraw/zinc/88/00/73/654880073.db2.gz XWRQHHJNWBHTFD-UHFFFAOYSA-N 1 2 378.885 2.991 20 30 GFEDLO C#C[C@H](C)[N@H+](C)Cn1nc(-c2ccc(I)cc2)nc1C ZINC000766662002 656178536 /nfs/dbraw/zinc/17/85/36/656178536.db2.gz DJFNHVCDTHCTHR-NSHDSACASA-N 1 2 380.233 2.769 20 30 GFEDLO C#C[C@H](C)[N@@H+](C)Cn1nc(-c2ccc(I)cc2)nc1C ZINC000766662002 656178537 /nfs/dbraw/zinc/17/85/37/656178537.db2.gz DJFNHVCDTHCTHR-NSHDSACASA-N 1 2 380.233 2.769 20 30 GFEDLO COc1ccc(NC(=O)CO[NH+]=C(N)c2ccc(Br)cc2)cc1 ZINC000782950128 657196943 /nfs/dbraw/zinc/19/69/43/657196943.db2.gz RZJSFBXHRVESAS-UHFFFAOYSA-N 1 2 378.226 2.733 20 30 GFEDLO C#CC1CC[NH+](Cn2c3cc(S(=O)(=O)N(C)C)ccc3oc2=S)CC1 ZINC000842632462 661346781 /nfs/dbraw/zinc/34/67/81/661346781.db2.gz HOLBXJPJMSFCPW-UHFFFAOYSA-N 1 2 379.507 2.517 20 30 GFEDLO C#C[C@H]1CCC[N@@H+](CN2C(=O)N[C@@](C)(c3ccccc3Br)C2=O)C1 ZINC000848492655 661655477 /nfs/dbraw/zinc/65/54/77/661655477.db2.gz HYYUEAWGGCCGBD-UGSOOPFHSA-N 1 2 390.281 2.519 20 30 GFEDLO C#C[C@H]1CCC[N@H+](CN2C(=O)N[C@@](C)(c3ccccc3Br)C2=O)C1 ZINC000848492655 661655483 /nfs/dbraw/zinc/65/54/83/661655483.db2.gz HYYUEAWGGCCGBD-UGSOOPFHSA-N 1 2 390.281 2.519 20 30 GFEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1c(O)cccc1Br ZINC000862252375 662277920 /nfs/dbraw/zinc/27/79/20/662277920.db2.gz SUTQUGJWAOLTQZ-LBPRGKRZSA-N 1 2 388.269 2.527 20 30 GFEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1c(O)cccc1Br ZINC000862252375 662277922 /nfs/dbraw/zinc/27/79/22/662277922.db2.gz SUTQUGJWAOLTQZ-LBPRGKRZSA-N 1 2 388.269 2.527 20 30 GFEDLO C#CCC1(O)CC[NH+](Cc2nc(-c3ccc(Br)s3)no2)CC1 ZINC000880479751 662960702 /nfs/dbraw/zinc/96/07/02/662960702.db2.gz WVSWTSNMOHGLAN-UHFFFAOYSA-N 1 2 382.283 2.911 20 30 GFEDLO C[N@@H+]1CCC[C@@H]1c1cc(C(=O)N[C@@H](C#N)c2cccc(Br)c2)[nH]n1 ZINC000900464900 663715031 /nfs/dbraw/zinc/71/50/31/663715031.db2.gz TZXARPKNKBGARN-JKSUJKDBSA-N 1 2 388.269 2.934 20 30 GFEDLO C[N@H+]1CCC[C@@H]1c1cc(C(=O)N[C@@H](C#N)c2cccc(Br)c2)[nH]n1 ZINC000900464900 663715032 /nfs/dbraw/zinc/71/50/32/663715032.db2.gz TZXARPKNKBGARN-JKSUJKDBSA-N 1 2 388.269 2.934 20 30 GFEDLO C[NH+](C)Cc1csc(CNC(=O)Nc2ccc(Br)c(C#N)n2)n1 ZINC000902886208 663769099 /nfs/dbraw/zinc/76/90/99/663769099.db2.gz MBYSMLWXMQAMMA-UHFFFAOYSA-N 1 2 395.286 2.556 20 30 GFEDLO C#CCSCC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000908125935 664085846 /nfs/dbraw/zinc/08/58/46/664085846.db2.gz SLYFRQHCBJJHOG-UHFFFAOYSA-N 1 2 382.283 2.634 20 30 GFEDLO N#CCc1cncc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)n1 ZINC001164674070 719519828 /nfs/dbraw/zinc/51/98/28/719519828.db2.gz ZPSUJBURBTXTSJ-UHFFFAOYSA-N 1 2 381.455 2.553 20 30 GFEDLO N#CCc1cncc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)n1 ZINC001164674070 719519831 /nfs/dbraw/zinc/51/98/31/719519831.db2.gz ZPSUJBURBTXTSJ-UHFFFAOYSA-N 1 2 381.455 2.553 20 30 GFEDLO CCCNC(=O)[C@@H](C)[NH+]1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000120987161 551224290 /nfs/dbraw/zinc/22/42/90/551224290.db2.gz DXCZMJYMDKCACV-RHSMWYFYSA-N 1 2 393.329 2.546 20 30 GFEDLO N#Cc1ccsc1NC(=O)CC[NH+]1CCN(c2ncccc2Cl)CC1 ZINC000155938889 551511212 /nfs/dbraw/zinc/51/12/12/551511212.db2.gz FRMHLTNIQHRYQH-UHFFFAOYSA-N 1 2 375.885 2.819 20 30 GFEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCSC[C@@H]1CC(=O)OC ZINC000157023567 551532069 /nfs/dbraw/zinc/53/20/69/551532069.db2.gz AUIFMGLCSJEMEJ-CABCVRRESA-N 1 2 382.551 2.632 20 30 GFEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCSC[C@@H]1CC(=O)OC ZINC000157023567 551532072 /nfs/dbraw/zinc/53/20/72/551532072.db2.gz AUIFMGLCSJEMEJ-CABCVRRESA-N 1 2 382.551 2.632 20 30 GFEDLO Cc1cccc(S(=O)(=O)NC[C@H](C)[N@@H+]2CCc3sccc3C2)c1C#N ZINC000178508172 552172171 /nfs/dbraw/zinc/17/21/71/552172171.db2.gz FOUXCPOPINCUKS-AWEZNQCLSA-N 1 2 375.519 2.653 20 30 GFEDLO Cc1cccc(S(=O)(=O)NC[C@H](C)[N@H+]2CCc3sccc3C2)c1C#N ZINC000178508172 552172172 /nfs/dbraw/zinc/17/21/72/552172172.db2.gz FOUXCPOPINCUKS-AWEZNQCLSA-N 1 2 375.519 2.653 20 30 GFEDLO COc1cc(C#N)ccc1C[N@H+](C)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000181068023 552245435 /nfs/dbraw/zinc/24/54/35/552245435.db2.gz XIZVBUCCRNSCJZ-QGZVFWFLSA-N 1 2 388.265 2.988 20 30 GFEDLO COc1cc(C#N)ccc1C[N@@H+](C)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000181068023 552245436 /nfs/dbraw/zinc/24/54/36/552245436.db2.gz XIZVBUCCRNSCJZ-QGZVFWFLSA-N 1 2 388.265 2.988 20 30 GFEDLO Cc1c(Br)scc1C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000185242175 552358360 /nfs/dbraw/zinc/35/83/60/552358360.db2.gz IYEJJGFIRGCSSG-UHFFFAOYSA-N 1 2 386.315 2.507 20 30 GFEDLO C=CC[N@@H+](CCOC)CC(=O)Nc1ccc(I)cc1C ZINC000191109439 552518961 /nfs/dbraw/zinc/51/89/61/552518961.db2.gz ZHXAXOMUPGYUFB-UHFFFAOYSA-N 1 2 388.249 2.673 20 30 GFEDLO C=CC[N@H+](CCOC)CC(=O)Nc1ccc(I)cc1C ZINC000191109439 552518964 /nfs/dbraw/zinc/51/89/64/552518964.db2.gz ZHXAXOMUPGYUFB-UHFFFAOYSA-N 1 2 388.249 2.673 20 30 GFEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000249760410 553146254 /nfs/dbraw/zinc/14/62/54/553146254.db2.gz XMKDXIBJGHPHSP-NJAFHUGGSA-N 1 2 384.307 2.938 20 30 GFEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000249760410 553146256 /nfs/dbraw/zinc/14/62/56/553146256.db2.gz XMKDXIBJGHPHSP-NJAFHUGGSA-N 1 2 384.307 2.938 20 30 GFEDLO CC(C)[C@H](NS(=O)(=O)c1cccc(Br)c1C#N)c1[nH]cc[nH+]1 ZINC000295802726 563263031 /nfs/dbraw/zinc/26/30/31/563263031.db2.gz BDKMREMSTATHJV-ZDUSSCGKSA-N 1 2 383.271 2.719 20 30 GFEDLO COC(=O)c1cnc([C@@H](C)[NH2+]CC(=O)Nc2sc(C)c(C)c2C#N)s1 ZINC000425477582 563424876 /nfs/dbraw/zinc/42/48/76/563424876.db2.gz BJNWCZBEVUAPJA-SECBINFHSA-N 1 2 378.479 2.769 20 30 GFEDLO CO[C@H]1C[C@@H](C(=O)N2CCCC2)[N@H+](CC(=O)NCc2ccc(Cl)s2)C1 ZINC000329039357 563470469 /nfs/dbraw/zinc/47/04/69/563470469.db2.gz SIIXKVFDVAEIRH-JSGCOSHPSA-N 1 2 385.917 2.570 20 30 GFEDLO CO[C@H]1C[C@@H](C(=O)N2CCCC2)[N@@H+](CC(=O)NCc2ccc(Cl)s2)C1 ZINC000329039357 563470473 /nfs/dbraw/zinc/47/04/73/563470473.db2.gz SIIXKVFDVAEIRH-JSGCOSHPSA-N 1 2 385.917 2.570 20 30 GFEDLO CC(=O)c1cc(Br)cc(Cl)c1OC[C@@H](O)C[N@H+](C)CCC#N ZINC000414155806 563720894 /nfs/dbraw/zinc/72/08/94/563720894.db2.gz VNLLKZPLGRFVPI-LBPRGKRZSA-N 1 2 389.677 2.890 20 30 GFEDLO CC(=O)c1cc(Br)cc(Cl)c1OC[C@@H](O)C[N@@H+](C)CCC#N ZINC000414155806 563720895 /nfs/dbraw/zinc/72/08/95/563720895.db2.gz VNLLKZPLGRFVPI-LBPRGKRZSA-N 1 2 389.677 2.890 20 30 GFEDLO N#Cc1ccc(Br)cc1S(=O)(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000416420201 563826507 /nfs/dbraw/zinc/82/65/07/563826507.db2.gz XUXHAGBXJCVOKQ-UHFFFAOYSA-N 1 2 395.282 2.612 20 30 GFEDLO N#CCc1ccc(S(=O)(=O)NCc2[nH+]ccn2CC(F)(F)F)c(Cl)c1 ZINC000451370790 564305946 /nfs/dbraw/zinc/30/59/46/564305946.db2.gz DNNLAMFTPOOQSQ-UHFFFAOYSA-N 1 2 392.790 2.643 20 30 GFEDLO CC[C@@H](C)[NH+]1CCN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000451975635 564375150 /nfs/dbraw/zinc/37/51/50/564375150.db2.gz WCRJYFGAEUDMNV-GFCCVEGCSA-N 1 2 375.416 2.682 20 30 GFEDLO N#Cc1cccc(NC(=O)C[N@@H+](CCO)Cc2ccc(Br)s2)c1 ZINC000485127497 564607732 /nfs/dbraw/zinc/60/77/32/564607732.db2.gz LHZWQJFGMPQOAQ-UHFFFAOYSA-N 1 2 394.294 2.815 20 30 GFEDLO N#Cc1cccc(NC(=O)C[N@H+](CCO)Cc2ccc(Br)s2)c1 ZINC000485127497 564607733 /nfs/dbraw/zinc/60/77/33/564607733.db2.gz LHZWQJFGMPQOAQ-UHFFFAOYSA-N 1 2 394.294 2.815 20 30 GFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cc(I)ccc1Cl ZINC000572846048 564612516 /nfs/dbraw/zinc/61/25/16/564612516.db2.gz MTEFLIBSQDGFIR-ZDUSSCGKSA-N 1 2 391.640 2.518 20 30 GFEDLO CC[C@@H]1C[N@H+](CCNC(=O)Nc2ccc(C#N)c(Br)c2)CCO1 ZINC000487997925 564702129 /nfs/dbraw/zinc/70/21/29/564702129.db2.gz XFBVCIBMJHFGTE-CQSZACIVSA-N 1 2 381.274 2.553 20 30 GFEDLO CC[C@@H]1C[N@@H+](CCNC(=O)Nc2ccc(C#N)c(Br)c2)CCO1 ZINC000487997925 564702130 /nfs/dbraw/zinc/70/21/30/564702130.db2.gz XFBVCIBMJHFGTE-CQSZACIVSA-N 1 2 381.274 2.553 20 30 GFEDLO N#Cc1ccc(S(=O)(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)o1 ZINC000557791579 564876777 /nfs/dbraw/zinc/87/67/77/564876777.db2.gz VKIZNBMBYXRWJA-MRXNPFEDSA-N 1 2 379.869 2.920 20 30 GFEDLO C=CCN1CC[C@@H]([N@H+](C)CC[S@@](=O)c2cc(Cl)ccc2Cl)C1=O ZINC000499995681 564942541 /nfs/dbraw/zinc/94/25/41/564942541.db2.gz KNVDIHQTIRHIKF-QKFKETGDSA-N 1 2 375.321 2.820 20 30 GFEDLO C=CCN1CC[C@@H]([N@@H+](C)CC[S@@](=O)c2cc(Cl)ccc2Cl)C1=O ZINC000499995681 564942544 /nfs/dbraw/zinc/94/25/44/564942544.db2.gz KNVDIHQTIRHIKF-QKFKETGDSA-N 1 2 375.321 2.820 20 30 GFEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)C1=O ZINC000500017216 564943279 /nfs/dbraw/zinc/94/32/79/564943279.db2.gz IVLGUDPMMQAONK-MLGOLLRUSA-N 1 2 384.307 2.889 20 30 GFEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)C1=O ZINC000500017216 564943283 /nfs/dbraw/zinc/94/32/83/564943283.db2.gz IVLGUDPMMQAONK-MLGOLLRUSA-N 1 2 384.307 2.889 20 30 GFEDLO C[C@@H]1Cc2ccc(Br)cc2C[N@@H+]1CC(=O)N(CCC#N)CCC#N ZINC000501408628 564978655 /nfs/dbraw/zinc/97/86/55/564978655.db2.gz HTGGGUGQWMHMGO-CQSZACIVSA-N 1 2 389.297 2.852 20 30 GFEDLO C[C@@H]1Cc2ccc(Br)cc2C[N@H+]1CC(=O)N(CCC#N)CCC#N ZINC000501408628 564978657 /nfs/dbraw/zinc/97/86/57/564978657.db2.gz HTGGGUGQWMHMGO-CQSZACIVSA-N 1 2 389.297 2.852 20 30 GFEDLO CC[NH+](CC)Cc1csc(NS(=O)(=O)Cc2ccc(CC#N)cc2)n1 ZINC000594582727 565401902 /nfs/dbraw/zinc/40/19/02/565401902.db2.gz ZGHKQZUXDLBPPP-UHFFFAOYSA-N 1 2 378.523 2.993 20 30 GFEDLO CN(CCC#N)C(=O)CC[N@@H+]1CCOC[C@H]1c1ccc(Br)cc1 ZINC000595751929 565490222 /nfs/dbraw/zinc/49/02/22/565490222.db2.gz ZDYGBGFYBOOERR-INIZCTEOSA-N 1 2 380.286 2.585 20 30 GFEDLO CN(CCC#N)C(=O)CC[N@H+]1CCOC[C@H]1c1ccc(Br)cc1 ZINC000595751929 565490227 /nfs/dbraw/zinc/49/02/27/565490227.db2.gz ZDYGBGFYBOOERR-INIZCTEOSA-N 1 2 380.286 2.585 20 30 GFEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3c(F)cncc3Br)C2)nc1 ZINC000597130719 565552807 /nfs/dbraw/zinc/55/28/07/565552807.db2.gz VMQWYUXYUCOQLA-GFCCVEGCSA-N 1 2 377.217 2.903 20 30 GFEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3c(F)cncc3Br)C2)nc1 ZINC000597130719 565552808 /nfs/dbraw/zinc/55/28/08/565552808.db2.gz VMQWYUXYUCOQLA-GFCCVEGCSA-N 1 2 377.217 2.903 20 30 GFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cc(-c2cccc(Br)c2)no1 ZINC000598836251 565644649 /nfs/dbraw/zinc/64/46/49/565644649.db2.gz DNKPCQFSZWLXPN-INIZCTEOSA-N 1 2 377.242 2.678 20 30 GFEDLO C=CCOc1c(Br)cc(C[N@H+]2CCC(=O)N(C)CC2)cc1OC ZINC000668622135 565658447 /nfs/dbraw/zinc/65/84/47/565658447.db2.gz QUEWNBBSQNHNMR-UHFFFAOYSA-N 1 2 383.286 2.687 20 30 GFEDLO C=CCOc1c(Br)cc(C[N@@H+]2CCC(=O)N(C)CC2)cc1OC ZINC000668622135 565658452 /nfs/dbraw/zinc/65/84/52/565658452.db2.gz QUEWNBBSQNHNMR-UHFFFAOYSA-N 1 2 383.286 2.687 20 30 GFEDLO C[C@@H]1C[N@@H+](CC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)C[C@H](C)N1CC#N ZINC000602857500 565872187 /nfs/dbraw/zinc/87/21/87/565872187.db2.gz RVTKZLPUVSGPOW-OKILXGFUSA-N 1 2 383.323 2.870 20 30 GFEDLO C[C@@H]1C[N@H+](CC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)C[C@H](C)N1CC#N ZINC000602857500 565872190 /nfs/dbraw/zinc/87/21/90/565872190.db2.gz RVTKZLPUVSGPOW-OKILXGFUSA-N 1 2 383.323 2.870 20 30 GFEDLO Cn1ccnc1[C@@H]([NH2+]Cc1cc(C#N)ccc1Br)C(C)(C)CO ZINC000602881198 565873362 /nfs/dbraw/zinc/87/33/62/565873362.db2.gz KCOFLVUNTHOWAZ-OAHLLOKOSA-N 1 2 377.286 2.904 20 30 GFEDLO Cn1cc[nH+]c1[C@@H](NCc1cc(C#N)ccc1Br)C(C)(C)CO ZINC000602881198 565873365 /nfs/dbraw/zinc/87/33/65/565873365.db2.gz KCOFLVUNTHOWAZ-OAHLLOKOSA-N 1 2 377.286 2.904 20 30 GFEDLO Cn1ccnc1[C@@H]([NH2+]Cc1ccc(C#N)cc1Br)C(C)(C)CO ZINC000602881187 565873535 /nfs/dbraw/zinc/87/35/35/565873535.db2.gz JSKFBWDMQMKYOE-OAHLLOKOSA-N 1 2 377.286 2.904 20 30 GFEDLO COCC[N@H+](CCC#N)C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000610391904 566080108 /nfs/dbraw/zinc/08/01/08/566080108.db2.gz CHTMBBSEQGPDGW-CYBMUJFWSA-N 1 2 391.693 2.704 20 30 GFEDLO COCC[N@@H+](CCC#N)C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000610391904 566080114 /nfs/dbraw/zinc/08/01/14/566080114.db2.gz CHTMBBSEQGPDGW-CYBMUJFWSA-N 1 2 391.693 2.704 20 30 GFEDLO N#Cc1cc(Br)cc(S(=O)(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000610657864 566092909 /nfs/dbraw/zinc/09/29/09/566092909.db2.gz VEXBXRLJHKWXGY-CQSZACIVSA-N 1 2 395.282 2.543 20 30 GFEDLO C=CC[N@@H+](CC(=O)Nc1oc(C)c(C)c1C#N)Cc1cccc(-c2nn[nH]n2)c1 ZINC000819739636 607363671 /nfs/dbraw/zinc/36/36/71/607363671.db2.gz BFZVZSDCDASBPR-UHFFFAOYSA-N 1 2 391.435 2.575 20 30 GFEDLO C=CC[N@H+](CC(=O)Nc1oc(C)c(C)c1C#N)Cc1cccc(-c2nn[nH]n2)c1 ZINC000819739636 607363673 /nfs/dbraw/zinc/36/36/73/607363673.db2.gz BFZVZSDCDASBPR-UHFFFAOYSA-N 1 2 391.435 2.575 20 30 GFEDLO N#Cc1ccc(-c2nnc(C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C3CC3)o2)cc1 ZINC000822822705 599568575 /nfs/dbraw/zinc/56/85/75/599568575.db2.gz CJTJYLCNNAXOKQ-UHFFFAOYSA-N 1 2 398.430 2.953 20 30 GFEDLO N#Cc1ccc(-c2nnc(C[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C3CC3)o2)cc1 ZINC000822822705 599568577 /nfs/dbraw/zinc/56/85/77/599568577.db2.gz CJTJYLCNNAXOKQ-UHFFFAOYSA-N 1 2 398.430 2.953 20 30 GFEDLO C=C(Cl)CSc1nc(C)c(CC(=O)NCC[N@@H+]2CCO[C@@H](C)C2)s1 ZINC000819211094 660250256 /nfs/dbraw/zinc/25/02/56/660250256.db2.gz ROGKGSMWOTTYQS-LBPRGKRZSA-N 1 2 389.974 2.676 20 30 GFEDLO C=C(Cl)CSc1nc(C)c(CC(=O)NCC[N@H+]2CCO[C@@H](C)C2)s1 ZINC000819211094 660250259 /nfs/dbraw/zinc/25/02/59/660250259.db2.gz ROGKGSMWOTTYQS-LBPRGKRZSA-N 1 2 389.974 2.676 20 30 GFEDLO C#C[C@H](NC(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C)c1ccc(Br)cc1 ZINC000820610858 660299524 /nfs/dbraw/zinc/29/95/24/660299524.db2.gz FPAAXKVUAUUKCD-VBQJREDUSA-N 1 2 394.313 2.532 20 30 GFEDLO C#C[C@H](NC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C)c1ccc(Br)cc1 ZINC000820610858 660299526 /nfs/dbraw/zinc/29/95/26/660299526.db2.gz FPAAXKVUAUUKCD-VBQJREDUSA-N 1 2 394.313 2.532 20 30 GFEDLO C=CCNc1nnc(SCC(=O)Nc2nc(C[NH+]3CCCC3)cs2)s1 ZINC000053281239 654743215 /nfs/dbraw/zinc/74/32/15/654743215.db2.gz BWAQYXYCZUZCFL-UHFFFAOYSA-N 1 2 396.567 2.919 20 30 GFEDLO C[C@@H]1[C@H](C)[S@](=O)CC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000265647517 655488086 /nfs/dbraw/zinc/48/80/86/655488086.db2.gz UGFHWMVMPJVYPC-UXGGDIESSA-N 1 2 379.551 2.668 20 30 GFEDLO C[C@@H]1[C@H](C)[S@](=O)CC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000265647517 655488089 /nfs/dbraw/zinc/48/80/89/655488089.db2.gz UGFHWMVMPJVYPC-UXGGDIESSA-N 1 2 379.551 2.668 20 30 GFEDLO C#CC[N@@H+](CC/C=C\c1ccc(Br)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000735309189 655644507 /nfs/dbraw/zinc/64/45/07/655644507.db2.gz IREBBBXXZJKWGQ-IVZVJUQRSA-N 1 2 382.323 2.975 20 30 GFEDLO C#CC[N@H+](CC/C=C\c1ccc(Br)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000735309189 655644508 /nfs/dbraw/zinc/64/45/08/655644508.db2.gz IREBBBXXZJKWGQ-IVZVJUQRSA-N 1 2 382.323 2.975 20 30 GFEDLO CCOc1cc(C#N)cc(Br)c1OCC(=O)OCc1c[nH+]cn1C ZINC000754684036 655871390 /nfs/dbraw/zinc/87/13/90/655871390.db2.gz GDEQXUQABCVURL-UHFFFAOYSA-N 1 2 394.225 2.575 20 30 GFEDLO C#CCOc1cccc(Cl)c1C[NH2+]Cc1ccc2c(c1)CCS2(=O)=O ZINC000778175912 656868946 /nfs/dbraw/zinc/86/89/46/656868946.db2.gz FCGBGXRQXAHNNE-UHFFFAOYSA-N 1 2 375.877 2.972 20 30 GFEDLO C#CC[N@H+]1CCC[C@H]1COC(=O)CCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000796988005 658958417 /nfs/dbraw/zinc/95/84/17/658958417.db2.gz FSNNRHVAYBFTLS-INIZCTEOSA-N 1 2 383.897 2.535 20 30 GFEDLO C#CC[N@@H+]1CCC[C@H]1COC(=O)CCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000796988005 658958424 /nfs/dbraw/zinc/95/84/24/658958424.db2.gz FSNNRHVAYBFTLS-INIZCTEOSA-N 1 2 383.897 2.535 20 30 GFEDLO N#Cc1ccc(OC(=O)CCCn2cc[nH+]c2)c(I)c1 ZINC000798583352 659121680 /nfs/dbraw/zinc/12/16/80/659121680.db2.gz ICRIDEZGJABZFU-UHFFFAOYSA-N 1 2 381.173 2.745 20 30 GFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(F)cc3Br)n2CC)CC1 ZINC000801928887 659434512 /nfs/dbraw/zinc/43/45/12/659434512.db2.gz AGSRJKYYSLPBTO-UHFFFAOYSA-N 1 2 392.276 2.622 20 30 GFEDLO C#C[C@H]1CCC[N@@H+](CN2C(=O)N[C@@](C)(c3ccc(Br)s3)C2=O)C1 ZINC000848492728 661655851 /nfs/dbraw/zinc/65/58/51/661655851.db2.gz FVZLSCKGIXKPHS-ZBEGNZNMSA-N 1 2 396.310 2.580 20 30 GFEDLO C#C[C@H]1CCC[N@H+](CN2C(=O)N[C@@](C)(c3ccc(Br)s3)C2=O)C1 ZINC000848492728 661655856 /nfs/dbraw/zinc/65/58/56/661655856.db2.gz FVZLSCKGIXKPHS-ZBEGNZNMSA-N 1 2 396.310 2.580 20 30 GFEDLO N#CCCCC[C@@H]([NH3+])c1nc(CS(=O)(=O)Cc2ccc(Cl)cc2)no1 ZINC000848630806 661668892 /nfs/dbraw/zinc/66/88/92/661668892.db2.gz RUZJCYVMVVWEON-CQSZACIVSA-N 1 2 382.873 2.922 20 30 GFEDLO Ic1ccc2c(c1)C(=NNCCCn1cc[nH+]c1)CC2 ZINC000853370239 661888120 /nfs/dbraw/zinc/88/81/20/661888120.db2.gz HNJKBEVHLSLDIG-UHFFFAOYSA-N 1 2 380.233 2.818 20 30 GFEDLO N#Cc1nc(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)ccc1Br ZINC000883098599 663049089 /nfs/dbraw/zinc/04/90/89/663049089.db2.gz SYGUWTHMKLCMLV-NSHDSACASA-N 1 2 387.241 2.511 20 30 GFEDLO CSc1ccc(C[NH2+]Cc2cn(C)nc2I)cc1C#N ZINC000895774059 663527250 /nfs/dbraw/zinc/52/72/50/663527250.db2.gz IVTWDPDNYNRHTE-UHFFFAOYSA-N 1 2 398.273 2.908 20 30 GFEDLO N#Cc1ccc(Cl)c(S(=O)(=O)N2CCC(Nc3cccc[nH+]3)CC2)c1 ZINC000920616354 664528661 /nfs/dbraw/zinc/52/86/61/664528661.db2.gz RMSXWNMSHVFAFU-UHFFFAOYSA-N 1 2 376.869 2.872 20 30 GFEDLO N#Cc1cc(S(=O)(=O)N2CCC(Nc3cccc[nH+]3)CC2)ccc1Cl ZINC000920623702 664528692 /nfs/dbraw/zinc/52/86/92/664528692.db2.gz BCBQMAFDZIHKOJ-UHFFFAOYSA-N 1 2 376.869 2.872 20 30 GFEDLO C=C(Br)C[NH2+][C@H](CO)c1ccccc1I ZINC000934829284 664926188 /nfs/dbraw/zinc/92/61/88/664926188.db2.gz LSPSMUXVYFGSMH-LLVKDONJSA-N 1 2 382.039 2.823 20 30 GFEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3cccnc3)[C@@H]2C1 ZINC001076271831 677675960 /nfs/dbraw/zinc/67/59/60/677675960.db2.gz BBBGRTYXBQUADR-MWDXBVQZSA-N 1 2 376.298 2.626 20 30 GFEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3cccnc3)[C@@H]2C1 ZINC001076271831 677675961 /nfs/dbraw/zinc/67/59/61/677675961.db2.gz BBBGRTYXBQUADR-MWDXBVQZSA-N 1 2 376.298 2.626 20 30 GFEDLO Cc1nc(C#N)cnc1N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1 ZINC001164672777 719519429 /nfs/dbraw/zinc/51/94/29/719519429.db2.gz NUFASCAXSNHOMN-UHFFFAOYSA-N 1 2 381.455 2.667 20 30 GFEDLO Cc1nc(C#N)cnc1N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1 ZINC001164672777 719519437 /nfs/dbraw/zinc/51/94/37/719519437.db2.gz NUFASCAXSNHOMN-UHFFFAOYSA-N 1 2 381.455 2.667 20 30 GFEDLO N#Cc1cc(Cl)nc(C(F)(F)N2CCc3onc(Cn4cc[nH+]c4)c3C2)c1 ZINC001164678339 719563920 /nfs/dbraw/zinc/56/39/20/719563920.db2.gz XJDCKIVAHIZNBC-UHFFFAOYSA-N 1 2 390.781 2.947 20 30 GFEDLO C=CC[NH+]1CCN(c2nc(Cl)nc3c2CN(Cc2ccccc2)CC3)CC1 ZINC001165033258 721864732 /nfs/dbraw/zinc/86/47/32/721864732.db2.gz IJKBYAZSAMJRGN-UHFFFAOYSA-N 1 2 383.927 2.996 20 30 GFEDLO N#C[C@@H](c1ccc(Br)cc1)N1CC[NH+](C[C@@H](O)C(F)(F)F)CC1 ZINC000121873810 551244968 /nfs/dbraw/zinc/24/49/68/551244968.db2.gz RAROIKPYRFJSFW-UONOGXRCSA-N 1 2 392.219 2.555 20 30 GFEDLO Cn1cc[nH+]c1C[C@@H]1CCCN(S(=O)(=O)c2cc(C#N)ccc2Cl)C1 ZINC000185224472 552357507 /nfs/dbraw/zinc/35/75/07/552357507.db2.gz WABGCUCYBUWEAN-AWEZNQCLSA-N 1 2 378.885 2.589 20 30 GFEDLO C[N@@H+](CC(=O)NC1(C#N)CCCCC1)C[C@@H](O)c1ccccc1Br ZINC000295236955 563237735 /nfs/dbraw/zinc/23/77/35/563237735.db2.gz DCLHALYSYIVEKH-MRXNPFEDSA-N 1 2 394.313 2.757 20 30 GFEDLO C[N@H+](CC(=O)NC1(C#N)CCCCC1)C[C@@H](O)c1ccccc1Br ZINC000295236955 563237739 /nfs/dbraw/zinc/23/77/39/563237739.db2.gz DCLHALYSYIVEKH-MRXNPFEDSA-N 1 2 394.313 2.757 20 30 GFEDLO Cc1nc(C[N@@H+](C)[C@@H]2CCN(c3ccc(C#N)cc3Br)C2)no1 ZINC000371278207 563270659 /nfs/dbraw/zinc/27/06/59/563270659.db2.gz XKSMCTSWRPPRLO-CYBMUJFWSA-N 1 2 376.258 2.723 20 30 GFEDLO Cc1nc(C[N@H+](C)[C@@H]2CCN(c3ccc(C#N)cc3Br)C2)no1 ZINC000371278207 563270663 /nfs/dbraw/zinc/27/06/63/563270663.db2.gz XKSMCTSWRPPRLO-CYBMUJFWSA-N 1 2 376.258 2.723 20 30 GFEDLO Cc1sc(NC(=O)C[N@@H+]2CCC[C@@](O)(C(F)(F)F)CC2)c(C#N)c1C ZINC000327819711 563459943 /nfs/dbraw/zinc/45/99/43/563459943.db2.gz MKIZIQNIANABKY-HNNXBMFYSA-N 1 2 375.416 2.954 20 30 GFEDLO Cc1sc(NC(=O)C[N@H+]2CCC[C@@](O)(C(F)(F)F)CC2)c(C#N)c1C ZINC000327819711 563459946 /nfs/dbraw/zinc/45/99/46/563459946.db2.gz MKIZIQNIANABKY-HNNXBMFYSA-N 1 2 375.416 2.954 20 30 GFEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)N=c3[nH]c4c(cccc4Br)s3)C[C@@H]21 ZINC000329468654 563480365 /nfs/dbraw/zinc/48/03/65/563480365.db2.gz XMCDKFNXXWEOSP-WDEREUQCSA-N 1 2 397.298 2.619 20 30 GFEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)N=c3[nH]c4c(cccc4Br)s3)C[C@@H]21 ZINC000329468654 563480368 /nfs/dbraw/zinc/48/03/68/563480368.db2.gz XMCDKFNXXWEOSP-WDEREUQCSA-N 1 2 397.298 2.619 20 30 GFEDLO CC[N@@H+]1C[C@H](C)N(C(=O)N[C@H]2C[C@H](C)S(=O)(=O)c3sccc32)C[C@@H]1C ZINC000329606498 563483769 /nfs/dbraw/zinc/48/37/69/563483769.db2.gz HZRPQHHHNDTEFA-ABHRYQDASA-N 1 2 385.555 2.684 20 30 GFEDLO CC[N@H+]1C[C@H](C)N(C(=O)N[C@H]2C[C@H](C)S(=O)(=O)c3sccc32)C[C@@H]1C ZINC000329606498 563483772 /nfs/dbraw/zinc/48/37/72/563483772.db2.gz HZRPQHHHNDTEFA-ABHRYQDASA-N 1 2 385.555 2.684 20 30 GFEDLO C[N@@H+]1CCO[C@H]2CN(CC(=O)Nc3ccc(OC(F)F)c(Cl)c3)C[C@H]21 ZINC000330308595 563500662 /nfs/dbraw/zinc/50/06/62/563500662.db2.gz SXKXWEGRRMPAJP-OCCSQVGLSA-N 1 2 375.803 2.544 20 30 GFEDLO C[N@H+]1CCO[C@H]2CN(CC(=O)Nc3ccc(OC(F)F)c(Cl)c3)C[C@H]21 ZINC000330308595 563500664 /nfs/dbraw/zinc/50/06/64/563500664.db2.gz SXKXWEGRRMPAJP-OCCSQVGLSA-N 1 2 375.803 2.544 20 30 GFEDLO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000408394903 563553634 /nfs/dbraw/zinc/55/36/34/563553634.db2.gz KWPKAPNWDGWHCG-OCCSQVGLSA-N 1 2 398.326 2.568 20 30 GFEDLO C[C@@H]1C[N@H+]2CCCC[C@H]2CN1S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000408394903 563553637 /nfs/dbraw/zinc/55/36/37/563553637.db2.gz KWPKAPNWDGWHCG-OCCSQVGLSA-N 1 2 398.326 2.568 20 30 GFEDLO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000408394899 563553864 /nfs/dbraw/zinc/55/38/64/563553864.db2.gz KWPKAPNWDGWHCG-JSGCOSHPSA-N 1 2 398.326 2.568 20 30 GFEDLO C[C@H]1C[N@H+]2CCCC[C@H]2CN1S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000408394899 563553867 /nfs/dbraw/zinc/55/38/67/563553867.db2.gz KWPKAPNWDGWHCG-JSGCOSHPSA-N 1 2 398.326 2.568 20 30 GFEDLO N#Cc1ccsc1N1CC[C@H]([NH2+][C@H](CO)c2cccc(Cl)c2F)C1=O ZINC000411669261 563629103 /nfs/dbraw/zinc/62/91/03/563629103.db2.gz JDVINTXJBBNLQV-UONOGXRCSA-N 1 2 379.844 2.841 20 30 GFEDLO Cc1cc(Br)cn2cc(CCNC(=O)c3ccc(C#N)c(O)c3)[nH+]c12 ZINC000443116189 563792756 /nfs/dbraw/zinc/79/27/56/563792756.db2.gz JXMCVZJVGUPEFB-UHFFFAOYSA-N 1 2 399.248 2.955 20 30 GFEDLO C=CCOc1cccc(C[NH2+]Cc2nn(C)cc2I)c1 ZINC000449605213 564191946 /nfs/dbraw/zinc/19/19/46/564191946.db2.gz MRVHENXGSUXOJU-UHFFFAOYSA-N 1 2 383.233 2.879 20 30 GFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc(I)c(Cl)c1 ZINC000566308940 564321687 /nfs/dbraw/zinc/32/16/87/564321687.db2.gz LJPCNOFNCBQHME-ZDUSSCGKSA-N 1 2 391.640 2.518 20 30 GFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cc(Br)sc1Br ZINC000569461258 564464618 /nfs/dbraw/zinc/46/46/18/564464618.db2.gz NZQWURRUYBFHGO-NSHDSACASA-N 1 2 395.120 2.847 20 30 GFEDLO Cn1cc(Br)c(C[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)n1 ZINC000528786062 564805678 /nfs/dbraw/zinc/80/56/78/564805678.db2.gz UYIZCFBZVICAQT-UHFFFAOYSA-N 1 2 375.270 2.850 20 30 GFEDLO C=C(C)CN(CC)C(=O)C[N@H+](CCO)Cc1cc(Br)cs1 ZINC000494285873 564822296 /nfs/dbraw/zinc/82/22/96/564822296.db2.gz UIQSNEAICOSPNC-UHFFFAOYSA-N 1 2 375.332 2.730 20 30 GFEDLO C=C(C)CN(CC)C(=O)C[N@@H+](CCO)Cc1cc(Br)cs1 ZINC000494285873 564822299 /nfs/dbraw/zinc/82/22/99/564822299.db2.gz UIQSNEAICOSPNC-UHFFFAOYSA-N 1 2 375.332 2.730 20 30 GFEDLO N#Cc1c(Br)cccc1S(=O)(=O)Nc1c[nH+]c2n1CCCC2 ZINC000582608503 564854786 /nfs/dbraw/zinc/85/47/86/564854786.db2.gz INIFYRZRLRDBME-UHFFFAOYSA-N 1 2 381.255 2.654 20 30 GFEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)C1=O ZINC000499998682 564942489 /nfs/dbraw/zinc/94/24/89/564942489.db2.gz TUGQCKSDUPBQDU-WBMJQRKESA-N 1 2 384.307 2.889 20 30 GFEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)C1=O ZINC000499998682 564942491 /nfs/dbraw/zinc/94/24/91/564942491.db2.gz TUGQCKSDUPBQDU-WBMJQRKESA-N 1 2 384.307 2.889 20 30 GFEDLO N#Cc1ccc([C@H]([NH2+][C@@H](c2cncc(Br)c2)C2CC2)C(N)=O)cc1 ZINC000560177465 564952678 /nfs/dbraw/zinc/95/26/78/564952678.db2.gz MSCZODYCQVNAOL-SJORKVTESA-N 1 2 385.265 2.983 20 30 GFEDLO C=CCOc1c(Br)cc(C[NH2+]Cc2cn(CC)nn2)cc1OC ZINC000657623619 565114435 /nfs/dbraw/zinc/11/44/35/565114435.db2.gz QCBLOPAUTQBITN-UHFFFAOYSA-N 1 2 381.274 2.924 20 30 GFEDLO Cc1cc(Br)cn2cc(CCNC(=O)c3cccc(C#N)n3)[nH+]c12 ZINC000589458315 565163822 /nfs/dbraw/zinc/16/38/22/565163822.db2.gz UUDDCRIVVRTTAX-UHFFFAOYSA-N 1 2 384.237 2.644 20 30 GFEDLO CC(C)[N@@H+]1CCc2nc(NS(=O)(=O)c3cccc(CC#N)c3)sc2C1 ZINC000589588077 565167725 /nfs/dbraw/zinc/16/77/25/565167725.db2.gz QAUJHSWOWXKGCL-UHFFFAOYSA-N 1 2 376.507 2.776 20 30 GFEDLO CC(C)[N@H+]1CCc2nc(NS(=O)(=O)c3cccc(CC#N)c3)sc2C1 ZINC000589588077 565167731 /nfs/dbraw/zinc/16/77/31/565167731.db2.gz QAUJHSWOWXKGCL-UHFFFAOYSA-N 1 2 376.507 2.776 20 30 GFEDLO CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000592184233 565262355 /nfs/dbraw/zinc/26/23/55/565262355.db2.gz IMDREZBSGJGHPQ-CQSZACIVSA-N 1 2 390.203 2.821 20 30 GFEDLO CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000592184233 565262359 /nfs/dbraw/zinc/26/23/59/565262359.db2.gz IMDREZBSGJGHPQ-CQSZACIVSA-N 1 2 390.203 2.821 20 30 GFEDLO CN(CCOc1ccc(Br)cc1)C(=O)C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595833554 565493758 /nfs/dbraw/zinc/49/37/58/565493758.db2.gz DIZYTIXPLKZVKB-QGZVFWFLSA-N 1 2 380.286 2.522 20 30 GFEDLO CN(CCOc1ccc(Br)cc1)C(=O)C[N@H+]1CC[C@](C)(C#N)C1 ZINC000595833554 565493766 /nfs/dbraw/zinc/49/37/66/565493766.db2.gz DIZYTIXPLKZVKB-QGZVFWFLSA-N 1 2 380.286 2.522 20 30 GFEDLO N#CC1(C[C@H](O)C[N@@H+]2CCOc3ccc(Br)cc3C2)CCOCC1 ZINC000599403371 565677457 /nfs/dbraw/zinc/67/74/57/565677457.db2.gz NXOUMRXHXQHJAV-INIZCTEOSA-N 1 2 395.297 2.715 20 30 GFEDLO N#CC1(C[C@H](O)C[N@H+]2CCOc3ccc(Br)cc3C2)CCOCC1 ZINC000599403371 565677464 /nfs/dbraw/zinc/67/74/64/565677464.db2.gz NXOUMRXHXQHJAV-INIZCTEOSA-N 1 2 395.297 2.715 20 30 GFEDLO Cc1cc(NC(=O)C[N@@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)ccc1Br ZINC000602866120 565872040 /nfs/dbraw/zinc/87/20/40/565872040.db2.gz UVGUZTDISBAWLD-OKILXGFUSA-N 1 2 379.302 2.614 20 30 GFEDLO Cc1cc(NC(=O)C[N@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)ccc1Br ZINC000602866120 565872045 /nfs/dbraw/zinc/87/20/45/565872045.db2.gz UVGUZTDISBAWLD-OKILXGFUSA-N 1 2 379.302 2.614 20 30 GFEDLO COC1CC[NH+](Cc2cn(Cc3cc(C#N)ccc3Br)nn2)CC1 ZINC000603241737 565892838 /nfs/dbraw/zinc/89/28/38/565892838.db2.gz NEGYGMJKLIORQJ-UHFFFAOYSA-N 1 2 390.285 2.571 20 30 GFEDLO C=CCOc1c(Br)cc(C[N@H+]2C[C@H](O)C[C@H]2COC)cc1OC ZINC000651936958 565905176 /nfs/dbraw/zinc/90/51/76/565905176.db2.gz RJURYXYRNMGUIX-UONOGXRCSA-N 1 2 386.286 2.604 20 30 GFEDLO C=CCOc1c(Br)cc(C[N@@H+]2C[C@H](O)C[C@H]2COC)cc1OC ZINC000651936958 565905180 /nfs/dbraw/zinc/90/51/80/565905180.db2.gz RJURYXYRNMGUIX-UONOGXRCSA-N 1 2 386.286 2.604 20 30 GFEDLO C[C@@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC[S@]1=O ZINC000610081546 566064736 /nfs/dbraw/zinc/06/47/36/566064736.db2.gz FSEKNJUFWUSGQH-YMXBGEKHSA-N 1 2 379.551 2.670 20 30 GFEDLO C[C@@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC[S@]1=O ZINC000610081546 566064741 /nfs/dbraw/zinc/06/47/41/566064741.db2.gz FSEKNJUFWUSGQH-YMXBGEKHSA-N 1 2 379.551 2.670 20 30 GFEDLO C[C@@H]1CN(Cc2ccc(-c3nn[nH]n3)cc2)[C@@H](C)C[N@@H+]1Cc1ccc(C#N)cc1 ZINC000826232540 607553544 /nfs/dbraw/zinc/55/35/44/607553544.db2.gz UYJCGFWBRAUEQA-SJORKVTESA-N 1 2 387.491 2.833 20 30 GFEDLO C[C@@H]1CN(Cc2ccc(-c3nn[nH]n3)cc2)[C@@H](C)C[N@H+]1Cc1ccc(C#N)cc1 ZINC000826232540 607553545 /nfs/dbraw/zinc/55/35/45/607553545.db2.gz UYJCGFWBRAUEQA-SJORKVTESA-N 1 2 387.491 2.833 20 30 GFEDLO N#Cc1ccc(C[N@@H+]2CCCN(Cc3cc(-c4nn[nH]n4)cs3)CC2)cc1 ZINC000826384701 608509676 /nfs/dbraw/zinc/50/96/76/608509676.db2.gz GNJOFWCUNPMBQQ-UHFFFAOYSA-N 1 2 379.493 2.508 20 30 GFEDLO N#Cc1ccc(C[N@H+]2CCCN(Cc3cc(-c4nn[nH]n4)cs3)CC2)cc1 ZINC000826384701 608509678 /nfs/dbraw/zinc/50/96/78/608509678.db2.gz GNJOFWCUNPMBQQ-UHFFFAOYSA-N 1 2 379.493 2.508 20 30 GFEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000852336271 661861318 /nfs/dbraw/zinc/86/13/18/661861318.db2.gz ZSBMEVNNIOJKBW-FOGDFJRCSA-N 1 2 380.124 2.505 20 30 GFEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000852336271 661861319 /nfs/dbraw/zinc/86/13/19/661861319.db2.gz ZSBMEVNNIOJKBW-FOGDFJRCSA-N 1 2 380.124 2.505 20 30 GFEDLO C#C[C@H](NC(=O)NCC(C)(C)[NH+]1CCOCC1)c1ccc(Br)cc1 ZINC000836188067 660894748 /nfs/dbraw/zinc/89/47/48/660894748.db2.gz LSEQIMGARXESDG-INIZCTEOSA-N 1 2 394.313 2.533 20 30 GFEDLO C#CC[NH+]1CCN(Cn2nc(Nc3cccc(OC)c3)sc2=S)CC1 ZINC000124343449 654774744 /nfs/dbraw/zinc/77/47/44/654774744.db2.gz RYLHVKGSLSUFLH-UHFFFAOYSA-N 1 2 375.523 2.635 20 30 GFEDLO N#Cc1c2c(sc1NC(=O)CSCC[NH+]1CCOCC1)CCCCC2 ZINC000127382696 654828343 /nfs/dbraw/zinc/82/83/43/654828343.db2.gz OUZFITPHSKDXLN-UHFFFAOYSA-N 1 2 379.551 2.893 20 30 GFEDLO C=CC[N@@H+](CCC(=O)Nc1cc(Cl)ccc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000067400025 654937770 /nfs/dbraw/zinc/93/77/70/654937770.db2.gz UHTDCJDEENZWGX-ZDUSSCGKSA-N 1 2 391.320 2.997 20 30 GFEDLO C=CC[N@H+](CCC(=O)Nc1cc(Cl)ccc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000067400025 654937779 /nfs/dbraw/zinc/93/77/79/654937779.db2.gz UHTDCJDEENZWGX-ZDUSSCGKSA-N 1 2 391.320 2.997 20 30 GFEDLO CC[N@H+](CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)Cc1ccc(Cl)s1 ZINC000092616816 655014962 /nfs/dbraw/zinc/01/49/62/655014962.db2.gz RXDDBLMYYQOTDJ-INIZCTEOSA-N 1 2 382.961 2.916 20 30 GFEDLO CC[N@@H+](CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)Cc1ccc(Cl)s1 ZINC000092616816 655014964 /nfs/dbraw/zinc/01/49/64/655014964.db2.gz RXDDBLMYYQOTDJ-INIZCTEOSA-N 1 2 382.961 2.916 20 30 GFEDLO C=CCOc1c(Br)cc(C[N@@H+]2CC[C@H](NC(N)=O)C2)cc1OCC ZINC000271267222 655073685 /nfs/dbraw/zinc/07/36/85/655073685.db2.gz IPPYBKFSTQTZHY-ZDUSSCGKSA-N 1 2 398.301 2.655 20 30 GFEDLO C=CCOc1c(Br)cc(C[N@H+]2CC[C@H](NC(N)=O)C2)cc1OCC ZINC000271267222 655073686 /nfs/dbraw/zinc/07/36/86/655073686.db2.gz IPPYBKFSTQTZHY-ZDUSSCGKSA-N 1 2 398.301 2.655 20 30 GFEDLO C[N@H+](CC(=O)Nc1ccc(Br)cn1)Cc1ccc(F)c(C#N)c1 ZINC000119829887 655317290 /nfs/dbraw/zinc/31/72/90/655317290.db2.gz QPMWVSVRXKTJPN-UHFFFAOYSA-N 1 2 377.217 2.925 20 30 GFEDLO C[N@@H+](CC(=O)Nc1ccc(Br)cn1)Cc1ccc(F)c(C#N)c1 ZINC000119829887 655317293 /nfs/dbraw/zinc/31/72/93/655317293.db2.gz QPMWVSVRXKTJPN-UHFFFAOYSA-N 1 2 377.217 2.925 20 30 GFEDLO C[C@H](Cc1ccc(Cl)cc1)[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000576142953 655444229 /nfs/dbraw/zinc/44/42/29/655444229.db2.gz DSFIFFLUSSQBTR-CQSZACIVSA-N 1 2 377.897 2.943 20 30 GFEDLO C[C@H](Cc1ccc(Cl)cc1)[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000576142953 655444231 /nfs/dbraw/zinc/44/42/31/655444231.db2.gz DSFIFFLUSSQBTR-CQSZACIVSA-N 1 2 377.897 2.943 20 30 GFEDLO C[C@H](C#N)CSc1ccccc1NC(=S)NCCC[NH+]1CCOCC1 ZINC000730955354 655579643 /nfs/dbraw/zinc/57/96/43/655579643.db2.gz YSHYJNXAYYUHIF-OAHLLOKOSA-N 1 2 378.567 2.947 20 30 GFEDLO N#Cc1csc(/C=C2\SC(=S)N(CCC[NH+]3CCOCC3)C2=O)c1 ZINC000748662752 655793643 /nfs/dbraw/zinc/79/36/43/655793643.db2.gz VLWFPDHWYDSSAY-ZROIWOOFSA-N 1 2 379.532 2.543 20 30 GFEDLO O=C1Nc2c(cc(Br)cc2Cl)C1=NNC1=[NH+][C@H]2CCCC[C@@H]2N1 ZINC000753934840 655861036 /nfs/dbraw/zinc/86/10/36/655861036.db2.gz KOCBHHGIHGHNHV-QWRGUYRKSA-N 1 2 396.676 2.619 20 30 GFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)OC(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000767112213 656194549 /nfs/dbraw/zinc/19/45/49/656194549.db2.gz QEKWZKTYSBJCDZ-GJZGRUSLSA-N 1 2 382.551 2.632 20 30 GFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)OC(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000767112213 656194554 /nfs/dbraw/zinc/19/45/54/656194554.db2.gz QEKWZKTYSBJCDZ-GJZGRUSLSA-N 1 2 382.551 2.632 20 30 GFEDLO Clc1ccc(-n2cc(C=NNC3=[NH+][C@@H]4CCCC[C@@H]4N3)nn2)cc1Cl ZINC000783861711 657265908 /nfs/dbraw/zinc/26/59/08/657265908.db2.gz GDVDIMCUYTVAEJ-GASCZTMLSA-N 1 2 378.267 2.768 20 30 GFEDLO C#CCC[NH+]1CCN(C(=O)c2cc3c(cncc3Br)s2)CC1 ZINC000843780742 661392267 /nfs/dbraw/zinc/39/22/67/661392267.db2.gz IYZJPCOQCQAHQL-UHFFFAOYSA-N 1 2 378.295 2.840 20 30 GFEDLO N#Cc1ccccc1NC1CC[NH+](C[C@H](O)c2cc(Br)no2)CC1 ZINC000878961799 662911393 /nfs/dbraw/zinc/91/13/93/662911393.db2.gz IBNMFKDGJZWWMW-HNNXBMFYSA-N 1 2 391.269 2.919 20 30 GFEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@@H]1c1ccc(Br)cc1 ZINC000884098974 663065116 /nfs/dbraw/zinc/06/51/16/663065116.db2.gz ZXFLLAVMJXVBNX-LSDHHAIUSA-N 1 2 381.270 2.559 20 30 GFEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC[C@@](CO)(C(F)(F)F)C1 ZINC000886802912 663119310 /nfs/dbraw/zinc/11/93/10/663119310.db2.gz AXPHFTUXHRXJCI-MEBBXXQBSA-N 1 2 375.778 2.785 20 30 GFEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@@](CO)(C(F)(F)F)C1 ZINC000886802912 663119311 /nfs/dbraw/zinc/11/93/11/663119311.db2.gz AXPHFTUXHRXJCI-MEBBXXQBSA-N 1 2 375.778 2.785 20 30 GFEDLO CSc1ccc(CNC(=O)NCc2nc(C[NH+](C)C)cs2)cc1C#N ZINC000924040470 664645111 /nfs/dbraw/zinc/64/51/11/664645111.db2.gz IWDFNEDLIDPFKM-UHFFFAOYSA-N 1 2 375.523 2.798 20 30 GFEDLO CC(C)CNC(=O)C[NH+]1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932946569 664844219 /nfs/dbraw/zinc/84/42/19/664844219.db2.gz RMLGWARIQDXSMC-RKDXNWHRSA-N 1 2 382.295 2.861 20 30 GFEDLO COc1cc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)ncc1C#N ZINC001164667261 719493437 /nfs/dbraw/zinc/49/34/37/719493437.db2.gz JBAAWMDCNDSUIK-UHFFFAOYSA-N 1 2 396.466 2.972 20 30 GFEDLO COc1cc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)ncc1C#N ZINC001164667261 719493440 /nfs/dbraw/zinc/49/34/40/719493440.db2.gz JBAAWMDCNDSUIK-UHFFFAOYSA-N 1 2 396.466 2.972 20 30 GFEDLO N#CCCCSc1nc2ccsc2c(=O)n1CCC[NH+]1CCOCC1 ZINC000047170250 551152097 /nfs/dbraw/zinc/15/20/97/551152097.db2.gz MVZFEQJCHZTJOS-UHFFFAOYSA-N 1 2 378.523 2.576 20 30 GFEDLO CC(C)C[NH+]1CCN(S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000055256640 551172435 /nfs/dbraw/zinc/17/24/35/551172435.db2.gz HFPQSHWMKXBUHW-UHFFFAOYSA-N 1 2 375.416 2.539 20 30 GFEDLO C=CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000151106522 551407443 /nfs/dbraw/zinc/40/74/43/551407443.db2.gz XCVANXOTLLJFQW-QWRGUYRKSA-N 1 2 379.258 2.840 20 30 GFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCSC[C@@H]1CC(=O)OC ZINC000157023413 551532044 /nfs/dbraw/zinc/53/20/44/551532044.db2.gz AUIFMGLCSJEMEJ-GJZGRUSLSA-N 1 2 382.551 2.632 20 30 GFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCSC[C@@H]1CC(=O)OC ZINC000157023413 551532045 /nfs/dbraw/zinc/53/20/45/551532045.db2.gz AUIFMGLCSJEMEJ-GJZGRUSLSA-N 1 2 382.551 2.632 20 30 GFEDLO Cc1cc(C#N)ccc1S(=O)(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000172672661 551684635 /nfs/dbraw/zinc/68/46/35/551684635.db2.gz RFTRSXZWVBKUSP-AWEZNQCLSA-N 1 2 375.519 2.653 20 30 GFEDLO Cc1cc(C#N)ccc1S(=O)(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000172672661 551684638 /nfs/dbraw/zinc/68/46/38/551684638.db2.gz RFTRSXZWVBKUSP-AWEZNQCLSA-N 1 2 375.519 2.653 20 30 GFEDLO COc1ccc(Cl)cc1NC(=O)[C@@H](C)O[NH+]=C(N)Cc1csc(C)n1 ZINC000174114478 552099565 /nfs/dbraw/zinc/09/95/65/552099565.db2.gz BEWBPZWTRUPHHR-SECBINFHSA-N 1 2 382.873 2.972 20 30 GFEDLO C[C@H](c1ccsc1)[NH+]1CCN(S(=O)(=O)Cc2cccc(C#N)c2)CC1 ZINC000183842302 552321034 /nfs/dbraw/zinc/32/10/34/552321034.db2.gz OMTYICQFWDIGEW-OAHLLOKOSA-N 1 2 375.519 2.828 20 30 GFEDLO Cc1cc(Br)cc(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000187511879 552417866 /nfs/dbraw/zinc/41/78/66/552417866.db2.gz VIIKZTVORSUSKH-UHFFFAOYSA-N 1 2 395.301 2.837 20 30 GFEDLO N#Cc1cccc(CS(=O)(=O)N2CC[NH2+]C[C@@H]2c2ccccc2Cl)c1 ZINC000261700529 553156534 /nfs/dbraw/zinc/15/65/34/553156534.db2.gz LPYSCHKWTKWMLO-GOSISDBHSA-N 1 2 375.881 2.688 20 30 GFEDLO C=CCC[C@@H]1NC(=O)N(Cc2cn3cc(Br)cc(C)c3[nH+]2)C1=O ZINC000419951766 563253744 /nfs/dbraw/zinc/25/37/44/563253744.db2.gz NUGHSUZBXPDZCD-ZDUSSCGKSA-N 1 2 377.242 2.792 20 30 GFEDLO C=CC[N@@H+](Cc1ccc(N(C)C)cc1C(F)(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000279735651 563308261 /nfs/dbraw/zinc/30/82/61/563308261.db2.gz WLWGTRLNSWYKTE-HNNXBMFYSA-N 1 2 376.444 2.947 20 30 GFEDLO C=CC[N@H+](Cc1ccc(N(C)C)cc1C(F)(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000279735651 563308263 /nfs/dbraw/zinc/30/82/63/563308263.db2.gz WLWGTRLNSWYKTE-HNNXBMFYSA-N 1 2 376.444 2.947 20 30 GFEDLO C=CCOc1c(Br)cc(C[N@@H+]2CC[C@@H](NC(C)=O)C2)cc1OC ZINC000421384298 563308946 /nfs/dbraw/zinc/30/89/46/563308946.db2.gz DVSOFHLLKYAUNS-CQSZACIVSA-N 1 2 383.286 2.733 20 30 GFEDLO C=CCOc1c(Br)cc(C[N@H+]2CC[C@@H](NC(C)=O)C2)cc1OC ZINC000421384298 563308948 /nfs/dbraw/zinc/30/89/48/563308948.db2.gz DVSOFHLLKYAUNS-CQSZACIVSA-N 1 2 383.286 2.733 20 30 GFEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)Nc3cccc4cc(Br)cnc43)C[C@@H]21 ZINC000329242145 563476662 /nfs/dbraw/zinc/47/66/62/563476662.db2.gz OCGNLCQHSMPSQR-GJZGRUSLSA-N 1 2 391.269 2.558 20 30 GFEDLO C[N@H+]1CCO[C@H]2CN(C(=O)Nc3cccc4cc(Br)cnc43)C[C@@H]21 ZINC000329242145 563476663 /nfs/dbraw/zinc/47/66/63/563476663.db2.gz OCGNLCQHSMPSQR-GJZGRUSLSA-N 1 2 391.269 2.558 20 30 GFEDLO C[N@@H+]1CC[C@H](NC(=O)NC[C@H](O)C(F)(F)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000330441289 563505885 /nfs/dbraw/zinc/50/58/85/563505885.db2.gz DVZYORQVIWBRIT-AVGNSLFASA-N 1 2 383.773 2.651 20 30 GFEDLO C[N@H+]1CC[C@H](NC(=O)NC[C@H](O)C(F)(F)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000330441289 563505887 /nfs/dbraw/zinc/50/58/87/563505887.db2.gz DVZYORQVIWBRIT-AVGNSLFASA-N 1 2 383.773 2.651 20 30 GFEDLO CC(C)(C[NH+]1CCOCC1)NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000331359624 563547281 /nfs/dbraw/zinc/54/72/81/563547281.db2.gz WTCHEZZAEJXKIF-UHFFFAOYSA-N 1 2 386.246 2.773 20 30 GFEDLO N#Cc1ccc([C@H]([NH2+][C@@H]2CCOc3c(Br)cccc32)C(N)=O)cc1 ZINC000409855506 563573056 /nfs/dbraw/zinc/57/30/56/563573056.db2.gz MUKKOUYZEDRKES-CVEARBPZSA-N 1 2 386.249 2.961 20 30 GFEDLO Cc1oc(NC(=O)C[NH2+][C@H](C)c2ncc(Br)cn2)c(C#N)c1C ZINC000432994348 563599468 /nfs/dbraw/zinc/59/94/68/563599468.db2.gz UTXATYOADYYQES-SECBINFHSA-N 1 2 378.230 2.610 20 30 GFEDLO Cc1oc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ncc(Br)cn2)c(C#N)c1C ZINC000433008321 563600178 /nfs/dbraw/zinc/60/01/78/563600178.db2.gz OEFGNCYHMGPCHM-NXEZZACHSA-N 1 2 392.257 2.998 20 30 GFEDLO N#Cc1c(NC(=O)C[N@H+]2CCSC[C@H]2CCO)sc2c1CCCCC2 ZINC000333456492 563632732 /nfs/dbraw/zinc/63/27/32/563632732.db2.gz OOXWGRFJEKOSOO-CYBMUJFWSA-N 1 2 379.551 2.627 20 30 GFEDLO N#Cc1c(NC(=O)C[N@@H+]2CCSC[C@H]2CCO)sc2c1CCCCC2 ZINC000333456492 563632734 /nfs/dbraw/zinc/63/27/34/563632734.db2.gz OOXWGRFJEKOSOO-CYBMUJFWSA-N 1 2 379.551 2.627 20 30 GFEDLO N#CC1(C(=O)Nc2cc(N3CCOCC3)c(Br)c[nH+]2)CCCC1 ZINC000333571247 563636117 /nfs/dbraw/zinc/63/61/17/563636117.db2.gz YBWCEEPFCGTKBM-UHFFFAOYSA-N 1 2 379.258 2.703 20 30 GFEDLO N#Cc1ccc(S(=O)(=O)NCc2cn3cc(Br)ccc3[nH+]2)s1 ZINC000435424582 563649787 /nfs/dbraw/zinc/64/97/87/563649787.db2.gz WDLHBEBVRARBSO-UHFFFAOYSA-N 1 2 397.279 2.508 20 30 GFEDLO CCOC(=O)c1cc(Cl)c(OC[C@H](O)C[N@H+](C)CCC#N)c(Cl)c1 ZINC000414148119 563721071 /nfs/dbraw/zinc/72/10/71/563721071.db2.gz SEWBTJBQNYKXGG-GFCCVEGCSA-N 1 2 375.252 2.755 20 30 GFEDLO CCOC(=O)c1cc(Cl)c(OC[C@H](O)C[N@@H+](C)CCC#N)c(Cl)c1 ZINC000414148119 563721074 /nfs/dbraw/zinc/72/10/74/563721074.db2.gz SEWBTJBQNYKXGG-GFCCVEGCSA-N 1 2 375.252 2.755 20 30 GFEDLO Cc1cc(Br)cc2c1C[N@H+](CC(=O)N(CCC#N)CCC#N)CC2 ZINC000538280818 564186237 /nfs/dbraw/zinc/18/62/37/564186237.db2.gz ZIASRQBZFLWNMU-UHFFFAOYSA-N 1 2 389.297 2.772 20 30 GFEDLO Cc1cc(Br)cc2c1C[N@@H+](CC(=O)N(CCC#N)CCC#N)CC2 ZINC000538280818 564186241 /nfs/dbraw/zinc/18/62/41/564186241.db2.gz ZIASRQBZFLWNMU-UHFFFAOYSA-N 1 2 389.297 2.772 20 30 GFEDLO N#Cc1ccc(OCC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1Br ZINC000449821131 564204169 /nfs/dbraw/zinc/20/41/69/564204169.db2.gz OLFOPIXQCSUJMZ-UHFFFAOYSA-N 1 2 389.253 2.829 20 30 GFEDLO CNc1cc(N2CCC[C@H]2CNc2ncc(Br)cc2C#N)nc[nH+]1 ZINC000450316280 564226751 /nfs/dbraw/zinc/22/67/51/564226751.db2.gz YRAUVWUXDGYDJG-ZDUSSCGKSA-N 1 2 388.273 2.628 20 30 GFEDLO CNc1cc(N2CCC[C@H]2CNc2ncc(Br)cc2C#N)[nH+]cn1 ZINC000450316280 564226753 /nfs/dbraw/zinc/22/67/53/564226753.db2.gz YRAUVWUXDGYDJG-ZDUSSCGKSA-N 1 2 388.273 2.628 20 30 GFEDLO C[C@@H](CCC#N)[NH+]1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000472763325 564232770 /nfs/dbraw/zinc/23/27/70/564232770.db2.gz AFWWQSJAHSBPIE-LBPRGKRZSA-N 1 2 376.309 2.992 20 30 GFEDLO N#Cc1ccc(Cl)cc1OCC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000474404092 564276616 /nfs/dbraw/zinc/27/66/16/564276616.db2.gz UVEJVHHIVUJBJJ-UHFFFAOYSA-N 1 2 375.881 2.996 20 30 GFEDLO CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1)S(=O)(=O)CC(C)(C)CC#N ZINC000451503179 564319804 /nfs/dbraw/zinc/31/98/04/564319804.db2.gz DPFUWOHYJDSYKR-GJZGRUSLSA-N 1 2 387.546 2.862 20 30 GFEDLO CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1)S(=O)(=O)CC(C)(C)CC#N ZINC000451503179 564319808 /nfs/dbraw/zinc/31/98/08/564319808.db2.gz DPFUWOHYJDSYKR-GJZGRUSLSA-N 1 2 387.546 2.862 20 30 GFEDLO C[C@@H]([NH2+]Cc1nn(C)cc1I)c1ccc(C#N)c(F)c1 ZINC000453385003 564456073 /nfs/dbraw/zinc/45/60/73/564456073.db2.gz UQDZMQLCCBRNHK-SECBINFHSA-N 1 2 384.196 2.886 20 30 GFEDLO C[C@H]([NH2+][C@H]1CCN(c2sccc2C#N)C1=O)c1ncc(Br)cn1 ZINC000570577494 564512725 /nfs/dbraw/zinc/51/27/25/564512725.db2.gz ZMVUJELLQQBUEF-CABZTGNLSA-N 1 2 392.282 2.628 20 30 GFEDLO CC[N@@H+](CC(=O)N(C)CCOc1ccc(Br)cc1)C[C@@H](C)C#N ZINC000522942223 564659159 /nfs/dbraw/zinc/65/91/59/564659159.db2.gz DLZGMYYXTIGMDE-AWEZNQCLSA-N 1 2 382.302 2.768 20 30 GFEDLO CC[N@H+](CC(=O)N(C)CCOc1ccc(Br)cc1)C[C@@H](C)C#N ZINC000522942223 564659163 /nfs/dbraw/zinc/65/91/63/564659163.db2.gz DLZGMYYXTIGMDE-AWEZNQCLSA-N 1 2 382.302 2.768 20 30 GFEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCc2c(Br)cc(C)cc2C1 ZINC000494468976 564831491 /nfs/dbraw/zinc/83/14/91/564831491.db2.gz JFDTZVQKWGDQCL-GFCCVEGCSA-N 1 2 380.286 2.516 20 30 GFEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCc2c(Br)cc(C)cc2C1 ZINC000494468976 564831494 /nfs/dbraw/zinc/83/14/94/564831494.db2.gz JFDTZVQKWGDQCL-GFCCVEGCSA-N 1 2 380.286 2.516 20 30 GFEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](C)C(=O)Nc2ccc(Br)c(C)c2)C1=O ZINC000499948465 564941274 /nfs/dbraw/zinc/94/12/74/564941274.db2.gz BDNASAQDEVIQHF-XJKSGUPXSA-N 1 2 394.313 2.803 20 30 GFEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H](C)C(=O)Nc2ccc(Br)c(C)c2)C1=O ZINC000499948465 564941276 /nfs/dbraw/zinc/94/12/76/564941276.db2.gz BDNASAQDEVIQHF-XJKSGUPXSA-N 1 2 394.313 2.803 20 30 GFEDLO Cc1nc(S(=O)(=O)N2CC[NH+](CCC3(C#N)CCCCC3)CC2)cs1 ZINC000560693677 564972319 /nfs/dbraw/zinc/97/23/19/564972319.db2.gz JHIGLOYHMYXMQJ-UHFFFAOYSA-N 1 2 382.555 2.622 20 30 GFEDLO N#Cc1ccc(Cl)cc1OCC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000562305292 565023599 /nfs/dbraw/zinc/02/35/99/565023599.db2.gz BDAVIHASGROAFH-UHFFFAOYSA-N 1 2 375.881 2.996 20 30 GFEDLO C[NH+]1CCN(S(=O)(=O)c2cccc(-c3ccc(C#N)c(Cl)c3)c2)CC1 ZINC000592989053 565305033 /nfs/dbraw/zinc/30/50/33/565305033.db2.gz PRXBTHZDFCFXNE-UHFFFAOYSA-N 1 2 375.881 2.815 20 30 GFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)Cc1cc(Cl)c(Br)cc1F ZINC000593153654 565316235 /nfs/dbraw/zinc/31/62/35/565316235.db2.gz ZSDUNPJHCXZMJH-AWEZNQCLSA-N 1 2 376.657 2.744 20 30 GFEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)nn1 ZINC000641109216 565346106 /nfs/dbraw/zinc/34/61/06/565346106.db2.gz QZLFUXFIIZTMHQ-MRXNPFEDSA-N 1 2 378.263 2.676 20 30 GFEDLO N#Cc1ccc(CC[NH+]2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)cc1 ZINC000595290747 565461680 /nfs/dbraw/zinc/46/16/80/565461680.db2.gz MABNLSMOARGJGV-UHFFFAOYSA-N 1 2 395.937 2.822 20 30 GFEDLO N#CC1(C[C@@H](O)C[N@@H+]2CCc3sc(Br)cc3C2)CCOCC1 ZINC000599334876 565671647 /nfs/dbraw/zinc/67/16/47/565671647.db2.gz KGERJULBDNFYMC-CYBMUJFWSA-N 1 2 385.327 2.940 20 30 GFEDLO N#CC1(C[C@@H](O)C[N@H+]2CCc3sc(Br)cc3C2)CCOCC1 ZINC000599334876 565671654 /nfs/dbraw/zinc/67/16/54/565671654.db2.gz KGERJULBDNFYMC-CYBMUJFWSA-N 1 2 385.327 2.940 20 30 GFEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(Oc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000735381692 598407814 /nfs/dbraw/zinc/40/78/14/598407814.db2.gz OXKYACCLWIEWIB-IBGZPJMESA-N 1 2 388.431 2.695 20 30 GFEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(Oc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000735381692 598407815 /nfs/dbraw/zinc/40/78/15/598407815.db2.gz OXKYACCLWIEWIB-IBGZPJMESA-N 1 2 388.431 2.695 20 30 GFEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)Cc1cc(-c2nn[nH]n2)ccc1OC ZINC000823919430 607518686 /nfs/dbraw/zinc/51/86/86/607518686.db2.gz FMVZFGWKHWPPFY-UHFFFAOYSA-N 1 2 380.408 2.972 20 30 GFEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)Cc1cc(-c2nn[nH]n2)ccc1OC ZINC000823919430 607518688 /nfs/dbraw/zinc/51/86/88/607518688.db2.gz FMVZFGWKHWPPFY-UHFFFAOYSA-N 1 2 380.408 2.972 20 30 GFEDLO C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)[C@@H](C)CN1Cc1cccc(-c2nn[nH]n2)c1 ZINC000826232466 607554845 /nfs/dbraw/zinc/55/48/45/607554845.db2.gz NZLDSXBTOKNSKM-DLBZAZTESA-N 1 2 387.491 2.833 20 30 GFEDLO C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)[C@@H](C)CN1Cc1cccc(-c2nn[nH]n2)c1 ZINC000826232466 607554846 /nfs/dbraw/zinc/55/48/46/607554846.db2.gz NZLDSXBTOKNSKM-DLBZAZTESA-N 1 2 387.491 2.833 20 30 GFEDLO N#Cc1cccc([C@@H]2C[N@H+](CCCOc3cccc(-c4nn[nH]n4)c3)CCO2)c1 ZINC000826386597 608071833 /nfs/dbraw/zinc/07/18/33/608071833.db2.gz LIHWROYQXLPIJP-FQEVSTJZSA-N 1 2 390.447 2.581 20 30 GFEDLO N#Cc1cccc([C@@H]2C[N@@H+](CCCOc3cccc(-c4nn[nH]n4)c3)CCO2)c1 ZINC000826386597 608071834 /nfs/dbraw/zinc/07/18/34/608071834.db2.gz LIHWROYQXLPIJP-FQEVSTJZSA-N 1 2 390.447 2.581 20 30 GFEDLO C#CCC[NH+]1CCN(C(=O)c2cc(-c3ccc(Br)cc3)no2)CC1 ZINC000825077675 660409522 /nfs/dbraw/zinc/40/95/22/660409522.db2.gz DZFOWRPLLAMOHY-UHFFFAOYSA-N 1 2 388.265 2.885 20 30 GFEDLO CN(CCOc1ccc(Br)cc1)C(=O)C[NH+]1CCC(C#N)CC1 ZINC000057906806 654811508 /nfs/dbraw/zinc/81/15/08/654811508.db2.gz JXAOTBHOUNHJNT-UHFFFAOYSA-N 1 2 380.286 2.522 20 30 GFEDLO Cc1nn(-c2ccc(Br)cc2)c(C)c1C=NNC1=[NH+]C[C@H](C)N1 ZINC000779791724 656943325 /nfs/dbraw/zinc/94/33/25/656943325.db2.gz KWZUOUCTYCKYHN-JTQLQIEISA-N 1 2 375.274 2.523 20 30 GFEDLO Cc1cc(Cl)c2ncc(C#N)c(N3CC[NH+](CC[S@](C)=O)CC3)c2c1 ZINC000801669617 659410496 /nfs/dbraw/zinc/41/04/96/659410496.db2.gz DPHJXANDYHHUQU-VWLOTQADSA-N 1 2 376.913 2.569 20 30 GFEDLO C#Cc1ccc(C(=O)N(CCn2cc[nH+]c2)Cc2ccc(Br)o2)cn1 ZINC000804269485 659631056 /nfs/dbraw/zinc/63/10/56/659631056.db2.gz XMNXECGAQJECIP-UHFFFAOYSA-N 1 2 399.248 2.958 20 30 GFEDLO C#CCC[N@@H+](CCOC)CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)OC ZINC000852752036 661873385 /nfs/dbraw/zinc/87/33/85/661873385.db2.gz MFPKAONYWOADJX-UHFFFAOYSA-N 1 2 387.263 2.690 20 30 GFEDLO C#CCC[N@H+](CCOC)CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)OC ZINC000852752036 661873386 /nfs/dbraw/zinc/87/33/86/661873386.db2.gz MFPKAONYWOADJX-UHFFFAOYSA-N 1 2 387.263 2.690 20 30 GFEDLO C[C@@H]1CC(=O)N(C[NH+]2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)C1 ZINC000902522229 663762527 /nfs/dbraw/zinc/76/25/27/663762527.db2.gz ABBTUUZQEIYHMX-VGMNWLOBSA-N 1 2 380.279 2.915 20 30 GFEDLO C=C(Br)C[NH+]1CCC2(CC1)CN(C(=O)OC(C)(C)C)CCO2 ZINC000933460545 664865707 /nfs/dbraw/zinc/86/57/07/664865707.db2.gz NYQYULRCFDJHQW-UHFFFAOYSA-N 1 2 375.307 2.997 20 30 GFEDLO N#Cc1cc(S(=O)(=O)NCc2cn3cc(Cl)ccc3[nH+]2)ccc1Cl ZINC000056035479 551175825 /nfs/dbraw/zinc/17/58/25/551175825.db2.gz BILFZAPBKCTFRM-UHFFFAOYSA-N 1 2 381.244 2.991 20 30 GFEDLO C=CCNC(=O)C[NH+]1CCN(Cc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000122245232 551296146 /nfs/dbraw/zinc/29/61/46/551296146.db2.gz IGEYQNWRANHJGL-UHFFFAOYSA-N 1 2 375.822 2.779 20 30 GFEDLO N#Cc1ccc(N2CC[NH+](C[C@H](O)c3ccccc3Br)CC2)nc1 ZINC000179001741 552181825 /nfs/dbraw/zinc/18/18/25/552181825.db2.gz UZHYCJXRDUZJHV-KRWDZBQOSA-N 1 2 387.281 2.571 20 30 GFEDLO N#Cc1ccc(C[N@H+](CCO)CCOCC(F)(F)F)c(Br)c1 ZINC000181109664 552246859 /nfs/dbraw/zinc/24/68/59/552246859.db2.gz YMIBBKAJJRPEBM-UHFFFAOYSA-N 1 2 381.192 2.694 20 30 GFEDLO N#Cc1ccc(C[N@@H+](CCO)CCOCC(F)(F)F)c(Br)c1 ZINC000181109664 552246861 /nfs/dbraw/zinc/24/68/61/552246861.db2.gz YMIBBKAJJRPEBM-UHFFFAOYSA-N 1 2 381.192 2.694 20 30 GFEDLO C[C@@H]1C[NH+]=C(N2CCN(C(=O)c3ccc(Br)cc3C#N)CC2)S1 ZINC000295306997 563241041 /nfs/dbraw/zinc/24/10/41/563241041.db2.gz NWVQFJBJQKTTSE-LLVKDONJSA-N 1 2 393.310 2.570 20 30 GFEDLO CC(C)[C@@H](NS(=O)(=O)c1ccc(C#N)c(Br)c1)c1[nH]cc[nH+]1 ZINC000296221438 563279647 /nfs/dbraw/zinc/27/96/47/563279647.db2.gz WXXCFWFWJNRGIA-CYBMUJFWSA-N 1 2 383.271 2.719 20 30 GFEDLO N#Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)cc1Br ZINC000373909661 563354992 /nfs/dbraw/zinc/35/49/92/563354992.db2.gz LQWFWFKOOQONSZ-ZDUSSCGKSA-N 1 2 381.255 2.570 20 30 GFEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cnc3c(C)cc(Br)cn23)C1=O ZINC000281388525 563375967 /nfs/dbraw/zinc/37/59/67/563375967.db2.gz WSFNRJJXTPWQMN-OAHLLOKOSA-N 1 2 377.286 2.624 20 30 GFEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cnc3c(C)cc(Br)cn23)C1=O ZINC000281388525 563375970 /nfs/dbraw/zinc/37/59/70/563375970.db2.gz WSFNRJJXTPWQMN-OAHLLOKOSA-N 1 2 377.286 2.624 20 30 GFEDLO C=CCN1CC[C@@H](N(C)Cc2c[nH+]c3c(C)cc(Br)cn23)C1=O ZINC000281388525 563375975 /nfs/dbraw/zinc/37/59/75/563375975.db2.gz WSFNRJJXTPWQMN-OAHLLOKOSA-N 1 2 377.286 2.624 20 30 GFEDLO O=C(N[C@H]1CCn2cc[nH+]c2C1)c1cc(Br)c2c(c1)OCCO2 ZINC000330287703 563500608 /nfs/dbraw/zinc/50/06/08/563500608.db2.gz BIYZFTGBHBZJSX-NSHDSACASA-N 1 2 378.226 2.736 20 30 GFEDLO Cc1noc([C@@H]2C[N@@H+](Cc3cc(C#N)ccc3Br)CCN2C)n1 ZINC000285052246 563501020 /nfs/dbraw/zinc/50/10/20/563501020.db2.gz WSGGLZMLMMNDEX-HNNXBMFYSA-N 1 2 376.258 2.501 20 30 GFEDLO Cc1noc([C@@H]2C[N@H+](Cc3cc(C#N)ccc3Br)CCN2C)n1 ZINC000285052246 563501021 /nfs/dbraw/zinc/50/10/21/563501021.db2.gz WSGGLZMLMMNDEX-HNNXBMFYSA-N 1 2 376.258 2.501 20 30 GFEDLO O=C(NC[C@H]1CCCC[N@H+]1CCO)c1cc(Br)cc(Cl)c1O ZINC000331353246 563547203 /nfs/dbraw/zinc/54/72/03/563547203.db2.gz ZWWKASHVGYOJMT-LLVKDONJSA-N 1 2 391.693 2.960 20 30 GFEDLO O=C(NC[C@H]1CCCC[N@@H+]1CCO)c1cc(Br)cc(Cl)c1O ZINC000331353246 563547205 /nfs/dbraw/zinc/54/72/05/563547205.db2.gz ZWWKASHVGYOJMT-LLVKDONJSA-N 1 2 391.693 2.960 20 30 GFEDLO N#Cc1c(Br)cccc1S(=O)(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000288134171 563629960 /nfs/dbraw/zinc/62/99/60/563629960.db2.gz MVVNGVPRZKVBDB-UHFFFAOYSA-N 1 2 395.282 2.612 20 30 GFEDLO C[N@@H+]1CC[C@H](NS(=O)(=O)CC2(CC#N)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000333471141 563633517 /nfs/dbraw/zinc/63/35/17/563633517.db2.gz WGNGHLHOFAOPRU-JKSUJKDBSA-N 1 2 385.892 2.838 20 30 GFEDLO C[N@H+]1CC[C@H](NS(=O)(=O)CC2(CC#N)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000333471141 563633521 /nfs/dbraw/zinc/63/35/21/563633521.db2.gz WGNGHLHOFAOPRU-JKSUJKDBSA-N 1 2 385.892 2.838 20 30 GFEDLO C[N@H+](CCn1cc(Br)cn1)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000288926969 563662082 /nfs/dbraw/zinc/66/20/82/563662082.db2.gz VPOLRXMQKGTYFS-UHFFFAOYSA-N 1 2 387.241 2.699 20 30 GFEDLO C[N@@H+](CCn1cc(Br)cn1)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000288926969 563662084 /nfs/dbraw/zinc/66/20/84/563662084.db2.gz VPOLRXMQKGTYFS-UHFFFAOYSA-N 1 2 387.241 2.699 20 30 GFEDLO CCn1c(SC[C@@H](O)C[N@H+](C)CCC#N)nnc1-c1cccc(Cl)c1 ZINC000414096129 563718723 /nfs/dbraw/zinc/71/87/23/563718723.db2.gz LIMCNRKNKVKLCM-HNNXBMFYSA-N 1 2 379.917 2.917 20 30 GFEDLO CCn1c(SC[C@@H](O)C[N@@H+](C)CCC#N)nnc1-c1cccc(Cl)c1 ZINC000414096129 563718725 /nfs/dbraw/zinc/71/87/25/563718725.db2.gz LIMCNRKNKVKLCM-HNNXBMFYSA-N 1 2 379.917 2.917 20 30 GFEDLO N#Cc1ccc(Br)c(C[N@@H+]2CCCN(C(=O)c3ccc[nH]3)CC2)c1 ZINC000365190635 563776337 /nfs/dbraw/zinc/77/63/37/563776337.db2.gz IBMHOCOYJXBLMF-UHFFFAOYSA-N 1 2 387.281 2.997 20 30 GFEDLO N#Cc1ccc(Br)c(C[N@H+]2CCCN(C(=O)c3ccc[nH]3)CC2)c1 ZINC000365190635 563776341 /nfs/dbraw/zinc/77/63/41/563776341.db2.gz IBMHOCOYJXBLMF-UHFFFAOYSA-N 1 2 387.281 2.997 20 30 GFEDLO COc1cc(C[N@H+](C)[C@H](C(N)=O)c2cccc(Br)c2)ccc1C#N ZINC000442844095 563781192 /nfs/dbraw/zinc/78/11/92/563781192.db2.gz UZLHDJFZLLKSHM-KRWDZBQOSA-N 1 2 388.265 2.988 20 30 GFEDLO COc1cc(C[N@@H+](C)[C@H](C(N)=O)c2cccc(Br)c2)ccc1C#N ZINC000442844095 563781194 /nfs/dbraw/zinc/78/11/94/563781194.db2.gz UZLHDJFZLLKSHM-KRWDZBQOSA-N 1 2 388.265 2.988 20 30 GFEDLO N#Cc1cc(Cl)ccc1S(=O)(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000443090829 563790875 /nfs/dbraw/zinc/79/08/75/563790875.db2.gz CJDIWAOGLYZQFV-HNNXBMFYSA-N 1 2 379.869 2.920 20 30 GFEDLO CN1C(=O)CSC12CC[NH+](Cc1ccc(Br)cc1C#N)CC2 ZINC000367880449 563858417 /nfs/dbraw/zinc/85/84/17/563858417.db2.gz PVPZYBLRHFHWGH-UHFFFAOYSA-N 1 2 380.311 2.818 20 30 GFEDLO CCn1cc[nH+]c1[C@@H](C)NS(=O)(=O)c1cccc(Br)c1C#N ZINC000451937181 564370204 /nfs/dbraw/zinc/37/02/04/564370204.db2.gz ZBMHHMLFFRGBTN-SNVBAGLBSA-N 1 2 383.271 2.577 20 30 GFEDLO C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000569814443 564479475 /nfs/dbraw/zinc/47/94/75/564479475.db2.gz FRLOOICBSMPKHI-ZUZCIYMTSA-N 1 2 388.693 2.830 20 30 GFEDLO C[C@H](NC(=O)Nc1ccc(C#N)c(Br)c1)[C@H](C)[NH+]1CCOCC1 ZINC000487962207 564700997 /nfs/dbraw/zinc/70/09/97/564700997.db2.gz XZEDEEQRXMLNHM-RYUDHWBXSA-N 1 2 381.274 2.551 20 30 GFEDLO Cc1cc(Br)cn2cc(CNC(=O)N[C@H]3CCC[C@@H]3C#N)[nH+]c12 ZINC000461936180 564809158 /nfs/dbraw/zinc/80/91/58/564809158.db2.gz MJIBZZUKSZSHDS-RISCZKNCSA-N 1 2 376.258 2.897 20 30 GFEDLO Cc1cc(Br)cn2cc(CCNC(=O)N[C@@H]3CCC[C@@H]3C#N)[nH+]c12 ZINC000461940551 564809236 /nfs/dbraw/zinc/80/92/36/564809236.db2.gz KPRBNTQQADIYHM-IUODEOHRSA-N 1 2 390.285 2.939 20 30 GFEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)CSCc1cccc(Cl)c1 ZINC000499351554 564924731 /nfs/dbraw/zinc/92/47/31/564924731.db2.gz NTOADKCWWFYNTI-UHFFFAOYSA-N 1 2 381.929 2.648 20 30 GFEDLO C=CCN1CC[C@H]([N@H+]2CCO[C@H](c3ccc(Br)cc3)[C@@H]2C)C1=O ZINC000499577369 564931105 /nfs/dbraw/zinc/93/11/05/564931105.db2.gz SVHHFYWQYLLLJH-JQFCIGGWSA-N 1 2 379.298 2.998 20 30 GFEDLO C=CCN1CC[C@H]([N@@H+]2CCO[C@H](c3ccc(Br)cc3)[C@@H]2C)C1=O ZINC000499577369 564931110 /nfs/dbraw/zinc/93/11/10/564931110.db2.gz SVHHFYWQYLLLJH-JQFCIGGWSA-N 1 2 379.298 2.998 20 30 GFEDLO COc1ccc(Br)cc1C[N@H+](C)[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000468956986 564999908 /nfs/dbraw/zinc/99/99/08/564999908.db2.gz MDZMCSBLCHRLGF-LBPRGKRZSA-N 1 2 380.286 2.840 20 30 GFEDLO COc1ccc(Br)cc1C[N@@H+](C)[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000468956986 564999911 /nfs/dbraw/zinc/99/99/11/564999911.db2.gz MDZMCSBLCHRLGF-LBPRGKRZSA-N 1 2 380.286 2.840 20 30 GFEDLO C=CCNC(=O)CN1CC[NH+]([C@@H]2CCCc3ccc(Br)cc32)CC1 ZINC000536685009 565045048 /nfs/dbraw/zinc/04/50/48/565045048.db2.gz HCEMFFAHGXVJDI-GOSISDBHSA-N 1 2 392.341 2.746 20 30 GFEDLO C=CCCn1cc(C[NH2+]Cc2cc(Br)c(OC)c(OC)c2)nn1 ZINC000657349763 565098231 /nfs/dbraw/zinc/09/82/31/565098231.db2.gz MFEZCKSODKNQSR-UHFFFAOYSA-N 1 2 381.274 2.924 20 30 GFEDLO Cc1cc(Br)cn2cc(CNC(=O)N3CC[C@@](F)(C#N)C3)[nH+]c12 ZINC000615605443 565167937 /nfs/dbraw/zinc/16/79/37/565167937.db2.gz UGNBLSWDSVEELQ-OAHLLOKOSA-N 1 2 380.221 2.552 20 30 GFEDLO COCC[N@H+](CCC#N)Cc1ccc(Br)cc1N1CCOCC1 ZINC000616135492 565191221 /nfs/dbraw/zinc/19/12/21/565191221.db2.gz UUNVGYOVQJZXTO-UHFFFAOYSA-N 1 2 382.302 2.648 20 30 GFEDLO COCC[N@@H+](CCC#N)Cc1ccc(Br)cc1N1CCOCC1 ZINC000616135492 565191226 /nfs/dbraw/zinc/19/12/26/565191226.db2.gz UUNVGYOVQJZXTO-UHFFFAOYSA-N 1 2 382.302 2.648 20 30 GFEDLO CCOCCOc1ccc(Br)cc1C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592522505 565280831 /nfs/dbraw/zinc/28/08/31/565280831.db2.gz NTRLANFELUHEAV-KRWDZBQOSA-N 1 2 383.286 2.715 20 30 GFEDLO CCOCCOc1ccc(Br)cc1C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592522505 565280836 /nfs/dbraw/zinc/28/08/36/565280836.db2.gz NTRLANFELUHEAV-KRWDZBQOSA-N 1 2 383.286 2.715 20 30 GFEDLO CC[C@@H]1CN(S(=O)(=O)c2ccsc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000593576974 565344035 /nfs/dbraw/zinc/34/40/35/565344035.db2.gz WNZZTUJVKUELHF-MRXNPFEDSA-N 1 2 375.519 2.905 20 30 GFEDLO CC[C@@H]1CN(S(=O)(=O)c2ccsc2C#N)CC[N@H+]1Cc1ccccc1 ZINC000593576974 565344038 /nfs/dbraw/zinc/34/40/38/565344038.db2.gz WNZZTUJVKUELHF-MRXNPFEDSA-N 1 2 375.519 2.905 20 30 GFEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000619719301 565356476 /nfs/dbraw/zinc/35/64/76/565356476.db2.gz KRXBBTIBXKTEOL-HNNXBMFYSA-N 1 2 381.270 2.827 20 30 GFEDLO Cn1cc(I)c(C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)n1 ZINC000594956972 565437493 /nfs/dbraw/zinc/43/74/93/565437493.db2.gz MCXQZWCPFMBMAP-UHFFFAOYSA-N 1 2 392.244 2.870 20 30 GFEDLO N#Cc1sccc1N1CC[NH+](C[C@@H](O)COc2ccccc2Cl)CC1 ZINC000595632821 565486418 /nfs/dbraw/zinc/48/64/18/565486418.db2.gz IKGMJIXRFJPQEN-CQSZACIVSA-N 1 2 377.897 2.835 20 30 GFEDLO N#Cc1cc(N2CCC[N@H+](Cc3cscn3)CC2)ncc1Br ZINC000603290747 565894523 /nfs/dbraw/zinc/89/45/23/565894523.db2.gz WKQXHXWKADAEPY-UHFFFAOYSA-N 1 2 378.299 2.885 20 30 GFEDLO N#Cc1cc(N2CCC[N@@H+](Cc3cscn3)CC2)ncc1Br ZINC000603290747 565894529 /nfs/dbraw/zinc/89/45/29/565894529.db2.gz WKQXHXWKADAEPY-UHFFFAOYSA-N 1 2 378.299 2.885 20 30 GFEDLO C[N@@H+]1CCc2c(cccc2S(=O)(=O)NCc2ccc(C#N)c(Cl)c2)C1 ZINC000603328309 565897635 /nfs/dbraw/zinc/89/76/35/565897635.db2.gz FSOCJNTXIQYSKZ-UHFFFAOYSA-N 1 2 375.881 2.678 20 30 GFEDLO C[N@H+]1CCc2c(cccc2S(=O)(=O)NCc2ccc(C#N)c(Cl)c2)C1 ZINC000603328309 565897641 /nfs/dbraw/zinc/89/76/41/565897641.db2.gz FSOCJNTXIQYSKZ-UHFFFAOYSA-N 1 2 375.881 2.678 20 30 GFEDLO C=C1CC[NH+](CC(=O)Nc2c(-c3nn[nH]n3)c(C)c(C)n2Cc2ccco2)CC1 ZINC000735403139 598504559 /nfs/dbraw/zinc/50/45/59/598504559.db2.gz QCAGKIMOFHKUCY-UHFFFAOYSA-N 1 2 395.467 2.517 20 30 GFEDLO N#Cc1ccc(C[NH+]2CCN(c3c(Cl)cccc3-c3nn[nH]n3)CC2)cc1 ZINC000822825360 599466719 /nfs/dbraw/zinc/46/67/19/599466719.db2.gz BYNQQGFXSOJZJM-UHFFFAOYSA-N 1 2 379.855 2.714 20 30 GFEDLO C=CC[N@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000819745828 599566221 /nfs/dbraw/zinc/56/62/21/599566221.db2.gz SGUCYQBOGZDKER-UHFFFAOYSA-N 1 2 398.430 2.977 20 30 GFEDLO C=CC[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000819745828 599566223 /nfs/dbraw/zinc/56/62/23/599566223.db2.gz SGUCYQBOGZDKER-UHFFFAOYSA-N 1 2 398.430 2.977 20 30 GFEDLO C[C@@H]1CN(Cc2cccc(-c3nn[nH]n3)c2)[C@@H](C)C[N@@H+]1Cc1cccc(C#N)c1 ZINC000826232467 607555247 /nfs/dbraw/zinc/55/52/47/607555247.db2.gz NZLDSXBTOKNSKM-SJORKVTESA-N 1 2 387.491 2.833 20 30 GFEDLO C[C@@H]1CN(Cc2cccc(-c3nn[nH]n3)c2)[C@@H](C)C[N@H+]1Cc1cccc(C#N)c1 ZINC000826232467 607555248 /nfs/dbraw/zinc/55/52/48/607555248.db2.gz NZLDSXBTOKNSKM-SJORKVTESA-N 1 2 387.491 2.833 20 30 GFEDLO C=CC[N@@H+](CC(=O)Nc1c(-c2nn[nH]n2)c(C)c(C)n1C1CCCC1)C1CC1 ZINC000823903958 608266887 /nfs/dbraw/zinc/26/68/87/608266887.db2.gz OZKCDTZJKUSELO-UHFFFAOYSA-N 1 2 383.500 2.989 20 30 GFEDLO C=CC[N@H+](CC(=O)Nc1c(-c2nn[nH]n2)c(C)c(C)n1C1CCCC1)C1CC1 ZINC000823903958 608266889 /nfs/dbraw/zinc/26/68/89/608266889.db2.gz OZKCDTZJKUSELO-UHFFFAOYSA-N 1 2 383.500 2.989 20 30 GFEDLO C=C(Cl)CSc1nc(C)c(CC(=O)NCC[N@H+]2CCOC[C@H]2C)s1 ZINC000819243390 660251839 /nfs/dbraw/zinc/25/18/39/660251839.db2.gz WDOJGFFAFJOMLE-GFCCVEGCSA-N 1 2 389.974 2.676 20 30 GFEDLO C=C(Cl)CSc1nc(C)c(CC(=O)NCC[N@@H+]2CCOC[C@H]2C)s1 ZINC000819243390 660251841 /nfs/dbraw/zinc/25/18/41/660251841.db2.gz WDOJGFFAFJOMLE-GFCCVEGCSA-N 1 2 389.974 2.676 20 30 GFEDLO C#C[C@H](NC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C)c1ccc(Br)cc1 ZINC000820610856 660299544 /nfs/dbraw/zinc/29/95/44/660299544.db2.gz FPAAXKVUAUUKCD-CPUCHLNUSA-N 1 2 394.313 2.532 20 30 GFEDLO C#C[C@H](NC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C)c1ccc(Br)cc1 ZINC000820610856 660299547 /nfs/dbraw/zinc/29/95/47/660299547.db2.gz FPAAXKVUAUUKCD-CPUCHLNUSA-N 1 2 394.313 2.532 20 30 GFEDLO N#Cc1cc(S(=O)(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)ccc1Cl ZINC000055215170 654771339 /nfs/dbraw/zinc/77/13/39/654771339.db2.gz BJMRXGAUXQBSBF-INIZCTEOSA-N 1 2 379.869 2.920 20 30 GFEDLO C=CC[N@@H+](CCC(=O)Nc1cc(Cl)ccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000067400024 654937922 /nfs/dbraw/zinc/93/79/22/654937922.db2.gz UHTDCJDEENZWGX-CYBMUJFWSA-N 1 2 391.320 2.997 20 30 GFEDLO C=CC[N@H+](CCC(=O)Nc1cc(Cl)ccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000067400024 654937923 /nfs/dbraw/zinc/93/79/23/654937923.db2.gz UHTDCJDEENZWGX-CYBMUJFWSA-N 1 2 391.320 2.997 20 30 GFEDLO C=CCC[C@@H]1NC(=O)N(CCc2cn3cc(Br)cc(C)c3[nH+]2)C1=O ZINC000419932529 655407019 /nfs/dbraw/zinc/40/70/19/655407019.db2.gz DTXXSSNXEPQRMB-AWEZNQCLSA-N 1 2 391.269 2.834 20 30 GFEDLO C=C(Br)C[N@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc(C)cc2)C1 ZINC000749149802 655801065 /nfs/dbraw/zinc/80/10/65/655801065.db2.gz AURBEVGQDRGRQJ-HNNXBMFYSA-N 1 2 387.343 2.894 20 30 GFEDLO C=C(Br)C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc(C)cc2)C1 ZINC000749149802 655801067 /nfs/dbraw/zinc/80/10/67/655801067.db2.gz AURBEVGQDRGRQJ-HNNXBMFYSA-N 1 2 387.343 2.894 20 30 GFEDLO O=C1Nc2c(cc(Cl)cc2Br)C1=NNC1=[NH+][C@@H]2CCCC[C@H]2N1 ZINC000753932918 655861025 /nfs/dbraw/zinc/86/10/25/655861025.db2.gz BMCOJMNCDHEDTD-GHMZBOCLSA-N 1 2 396.676 2.619 20 30 GFEDLO COc1ccccc1S(=O)(=O)CCCO[NH+]=C(N)c1ccc(Cl)cc1 ZINC000766397417 656170508 /nfs/dbraw/zinc/17/05/08/656170508.db2.gz IDPBZLUFKZQLQI-UHFFFAOYSA-N 1 2 382.869 2.850 20 30 GFEDLO NC(=[NH+]OCC(=O)NCc1cc(F)cc(F)c1)c1ccc(Br)cc1 ZINC000782950035 657196985 /nfs/dbraw/zinc/19/69/85/657196985.db2.gz QKTCFSONLJEEIT-UHFFFAOYSA-N 1 2 398.207 2.681 20 30 GFEDLO O=C1C=C([NH2+]Nc2ccc(S(=O)(=O)C(F)(F)F)cc2)[C@@H]2CCCCN12 ZINC000799475736 659192894 /nfs/dbraw/zinc/19/28/94/659192894.db2.gz KJUBAAWMQMDNGQ-ZDUSSCGKSA-N 1 2 375.372 2.533 20 30 GFEDLO N#Cc1ccc(N2CC[NH+](C[C@@H](O)c3ccccc3Br)CC2)cn1 ZINC000801552171 659404239 /nfs/dbraw/zinc/40/42/39/659404239.db2.gz AYSXNRFRWHHMSB-GOSISDBHSA-N 1 2 387.281 2.571 20 30 GFEDLO C#C[C@@H]1CCC[N@@H+](CN2C(=O)N[C@](C)(c3ccc(Br)s3)C2=O)C1 ZINC000848492720 661655707 /nfs/dbraw/zinc/65/57/07/661655707.db2.gz FVZLSCKGIXKPHS-BDJLRTHQSA-N 1 2 396.310 2.580 20 30 GFEDLO C#C[C@@H]1CCC[N@H+](CN2C(=O)N[C@](C)(c3ccc(Br)s3)C2=O)C1 ZINC000848492720 661655712 /nfs/dbraw/zinc/65/57/12/661655712.db2.gz FVZLSCKGIXKPHS-BDJLRTHQSA-N 1 2 396.310 2.580 20 30 GFEDLO COc1cc(C[N@H+](C)C[C@@H](O)c2cccc(C#N)c2)c(Br)cn1 ZINC000856753922 662042300 /nfs/dbraw/zinc/04/23/00/662042300.db2.gz ZZJPIEFEXFYXDV-MRXNPFEDSA-N 1 2 376.254 2.890 20 30 GFEDLO COc1cc(C[N@@H+](C)C[C@@H](O)c2cccc(C#N)c2)c(Br)cn1 ZINC000856753922 662042302 /nfs/dbraw/zinc/04/23/02/662042302.db2.gz ZZJPIEFEXFYXDV-MRXNPFEDSA-N 1 2 376.254 2.890 20 30 GFEDLO C[C@H]([NH2+]Cc1c(I)cnn1C)c1ccc(C#N)c(F)c1 ZINC000866630488 662485398 /nfs/dbraw/zinc/48/53/98/662485398.db2.gz QOEHIGKLAXIJIU-VIFPVBQESA-N 1 2 384.196 2.886 20 30 GFEDLO N#Cc1cccc(OC2CC[NH+](C[C@H](O)c3cc(Br)no3)CC2)c1 ZINC000878056683 662889020 /nfs/dbraw/zinc/88/90/20/662889020.db2.gz UATAIQYKBPYEOG-HNNXBMFYSA-N 1 2 392.253 2.886 20 30 GFEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@@H]1c1cccc(Br)c1 ZINC000884086323 663064840 /nfs/dbraw/zinc/06/48/40/663064840.db2.gz UXWJQUSLOFLCOQ-LSDHHAIUSA-N 1 2 381.270 2.559 20 30 GFEDLO C=CCOc1c(Br)cc(C[NH2+][C@@H](C)C2N=NC(=O)N2C)cc1OC ZINC000895182834 663502111 /nfs/dbraw/zinc/50/21/11/663502111.db2.gz DZDZIOTVAKAHQQ-JTQLQIEISA-N 1 2 397.273 2.707 20 30 GFEDLO C[C@@H]1CCN(C[NH+]2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)C1=O ZINC000902524170 663762473 /nfs/dbraw/zinc/76/24/73/663762473.db2.gz PDEMGDJYIGMKDB-VGMNWLOBSA-N 1 2 380.279 2.915 20 30 GFEDLO N#Cc1cc(S(=O)(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)ccc1Br ZINC000907040346 663995963 /nfs/dbraw/zinc/99/59/63/663995963.db2.gz ZJZHSQMFEIGVAI-LLVKDONJSA-N 1 2 395.282 2.612 20 30 GFEDLO C#CC[NH+]1CCC(C(=O)Nc2nc(-c3ccccc3Br)n[nH]2)CC1 ZINC000919965843 664520575 /nfs/dbraw/zinc/52/05/75/664520575.db2.gz RTWLTJKCLIKBAG-UHFFFAOYSA-N 1 2 388.269 2.518 20 30 GFEDLO CC[C@@H]([NH2+]CCn1cc(Br)ccc1=O)c1cccc(C#N)c1O ZINC000926501615 664690846 /nfs/dbraw/zinc/69/08/46/664690846.db2.gz LFRYLYJFZIXAEX-OAHLLOKOSA-N 1 2 376.254 2.929 20 30 GFEDLO C=C(Br)C[NH2+][C@@H](CO)c1ccccc1I ZINC000934829286 664926052 /nfs/dbraw/zinc/92/60/52/664926052.db2.gz LSPSMUXVYFGSMH-NSHDSACASA-N 1 2 382.039 2.823 20 30 GFEDLO N#Cc1ccc(Cl)nc1C(F)(F)N1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001164676466 719564399 /nfs/dbraw/zinc/56/43/99/719564399.db2.gz BZFKNZFYGYQHPV-UHFFFAOYSA-N 1 2 390.781 2.947 20 30 GFEDLO N#Cc1cc(Cl)nc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)c1 ZINC001164944792 721968311 /nfs/dbraw/zinc/96/83/11/721968311.db2.gz JNOIGWRUGFYFDC-UHFFFAOYSA-N 1 2 395.894 2.578 20 30 GFEDLO N#Cc1cc(Cl)nc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)c1 ZINC001164944792 721968314 /nfs/dbraw/zinc/96/83/14/721968314.db2.gz JNOIGWRUGFYFDC-UHFFFAOYSA-N 1 2 395.894 2.578 20 30 GFEDLO N#Cc1ccc(C[N@H+]2CCCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)cc1 ZINC000053701967 222012305 /nfs/dbraw/zinc/01/23/05/222012305.db2.gz AYOBQOUZMZUDND-UHFFFAOYSA-N 1 2 391.443 2.733 20 30 GFEDLO N#Cc1ccc(C[N@@H+]2CCCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)cc1 ZINC000053701967 222012308 /nfs/dbraw/zinc/01/23/08/222012308.db2.gz AYOBQOUZMZUDND-UHFFFAOYSA-N 1 2 391.443 2.733 20 30 GFEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+](C)CC(=O)Nc1ccccc1Br ZINC000031238368 551129217 /nfs/dbraw/zinc/12/92/17/551129217.db2.gz UCGMZYPHYKXQGP-CQSZACIVSA-N 1 2 394.313 2.909 20 30 GFEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](C)CC(=O)Nc1ccccc1Br ZINC000031238368 551129219 /nfs/dbraw/zinc/12/92/19/551129219.db2.gz UCGMZYPHYKXQGP-CQSZACIVSA-N 1 2 394.313 2.909 20 30 GFEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(c2ccc(Br)cn2)CC1 ZINC000042146443 551137956 /nfs/dbraw/zinc/13/79/56/551137956.db2.gz GMMCKNDQIXSQHX-OAHLLOKOSA-N 1 2 395.345 2.779 20 30 GFEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN(c2ccc(Br)cn2)CC1 ZINC000042146439 551138290 /nfs/dbraw/zinc/13/82/90/551138290.db2.gz OPCWBFIZKRUOPU-HNNXBMFYSA-N 1 2 393.329 2.555 20 30 GFEDLO C[N@H+](CC(=O)Nc1cccc(C#N)c1)[C@H](CO)c1cccc(Br)c1 ZINC000125664812 551322422 /nfs/dbraw/zinc/32/24/22/551322422.db2.gz LXTJYJFBGFQICJ-QGZVFWFLSA-N 1 2 388.265 2.925 20 30 GFEDLO C[N@@H+](CC(=O)Nc1cccc(C#N)c1)[C@H](CO)c1cccc(Br)c1 ZINC000125664812 551322425 /nfs/dbraw/zinc/32/24/25/551322425.db2.gz LXTJYJFBGFQICJ-QGZVFWFLSA-N 1 2 388.265 2.925 20 30 GFEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1ccc(Br)s1 ZINC000155644159 551504629 /nfs/dbraw/zinc/50/46/29/551504629.db2.gz VRINGOSMGWWXQP-LLVKDONJSA-N 1 2 378.299 2.883 20 30 GFEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1ccc(Br)s1 ZINC000155644159 551504630 /nfs/dbraw/zinc/50/46/30/551504630.db2.gz VRINGOSMGWWXQP-LLVKDONJSA-N 1 2 378.299 2.883 20 30 GFEDLO N#Cc1ccc(OCC[NH2+][C@@H](C(N)=O)c2ccc(Br)cc2F)cc1 ZINC000174211394 552102530 /nfs/dbraw/zinc/10/25/30/552102530.db2.gz XTUMGDGEXHZCJX-MRXNPFEDSA-N 1 2 392.228 2.655 20 30 GFEDLO CCC[N@H+](CC#Cc1ccc(OC(F)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000178913481 552179337 /nfs/dbraw/zinc/17/93/37/552179337.db2.gz VVAKPJXCEBMRNT-OAHLLOKOSA-N 1 2 375.412 2.836 20 30 GFEDLO CCC[N@@H+](CC#Cc1ccc(OC(F)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000178913481 552179338 /nfs/dbraw/zinc/17/93/38/552179338.db2.gz VVAKPJXCEBMRNT-OAHLLOKOSA-N 1 2 375.412 2.836 20 30 GFEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCSC[C@H]1CC(=O)OC ZINC000245900786 553098905 /nfs/dbraw/zinc/09/89/05/553098905.db2.gz AUIFMGLCSJEMEJ-HUUCEWRRSA-N 1 2 382.551 2.632 20 30 GFEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCSC[C@H]1CC(=O)OC ZINC000245900786 553098908 /nfs/dbraw/zinc/09/89/08/553098908.db2.gz AUIFMGLCSJEMEJ-HUUCEWRRSA-N 1 2 382.551 2.632 20 30 GFEDLO Cc1cccc(S(=O)(=O)N2CC[NH2+]C[C@H]2c2ccccc2Cl)c1C#N ZINC000261804644 553159993 /nfs/dbraw/zinc/15/99/93/553159993.db2.gz WCXVVTXERJDWKX-KRWDZBQOSA-N 1 2 375.881 2.855 20 30 GFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ccc(Br)cn3)CC2)cc1 ZINC000263849273 553194656 /nfs/dbraw/zinc/19/46/56/553194656.db2.gz MMFNJHXGFHHFKF-UHFFFAOYSA-N 1 2 385.265 2.674 20 30 GFEDLO Cc1cc(S(=O)(=O)Nc2nc3c(s2)C[N@H+](C(C)C)CC3)ccc1C#N ZINC000278293467 563249058 /nfs/dbraw/zinc/24/90/58/563249058.db2.gz BYUWDZRHHWQTDZ-UHFFFAOYSA-N 1 2 376.507 2.891 20 30 GFEDLO Cc1cc(S(=O)(=O)Nc2nc3c(s2)C[N@@H+](C(C)C)CC3)ccc1C#N ZINC000278293467 563249060 /nfs/dbraw/zinc/24/90/60/563249060.db2.gz BYUWDZRHHWQTDZ-UHFFFAOYSA-N 1 2 376.507 2.891 20 30 GFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ncccc3Br)CC2)cc1 ZINC000280409324 563336259 /nfs/dbraw/zinc/33/62/59/563336259.db2.gz YFLATXSGVKDOEW-UHFFFAOYSA-N 1 2 385.265 2.674 20 30 GFEDLO C[N@@H+](CC(=O)Nc1sccc1C#N)C[C@@H](O)c1cccc(Br)c1 ZINC000298109399 563344714 /nfs/dbraw/zinc/34/47/14/563344714.db2.gz JMPIEBSLLNRCFI-CQSZACIVSA-N 1 2 394.294 2.986 20 30 GFEDLO C[N@H+](CC(=O)Nc1sccc1C#N)C[C@@H](O)c1cccc(Br)c1 ZINC000298109399 563344716 /nfs/dbraw/zinc/34/47/16/563344716.db2.gz JMPIEBSLLNRCFI-CQSZACIVSA-N 1 2 394.294 2.986 20 30 GFEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)Nc3cccc4cc(Br)cnc43)C[C@H]21 ZINC000329242144 563476812 /nfs/dbraw/zinc/47/68/12/563476812.db2.gz OCGNLCQHSMPSQR-CABCVRRESA-N 1 2 391.269 2.558 20 30 GFEDLO C[N@H+]1CCO[C@H]2CN(C(=O)Nc3cccc4cc(Br)cnc43)C[C@H]21 ZINC000329242144 563476816 /nfs/dbraw/zinc/47/68/16/563476816.db2.gz OCGNLCQHSMPSQR-CABCVRRESA-N 1 2 391.269 2.558 20 30 GFEDLO O=C(NCc1[nH+]ccn1CC(F)(F)F)N[C@@H]1CCO[C@]2(CCSC2)C1 ZINC000330226159 563498961 /nfs/dbraw/zinc/49/89/61/563498961.db2.gz UHURRUYGKYIRFX-BXUZGUMPSA-N 1 2 378.420 2.504 20 30 GFEDLO COc1ccc(NC(=O)NCC(C)(C)[NH+]2CCOCC2)cc1Br ZINC000330480360 563507446 /nfs/dbraw/zinc/50/74/46/563507446.db2.gz PNLQAOJVLINIDE-UHFFFAOYSA-N 1 2 386.290 2.894 20 30 GFEDLO C=CCN1CC[C@@H]([NH+]2CCN([C@H](C)c3ccc(Br)cc3)CC2)C1=O ZINC000410385417 563588292 /nfs/dbraw/zinc/58/82/92/563588292.db2.gz WYSAWIKERNZCPZ-CRAIPNDOSA-N 1 2 392.341 2.915 20 30 GFEDLO Cn1ccnc1[C@@H](O)C1CC[NH+](Cc2ccc(Br)cc2C#N)CC1 ZINC000287857591 563620690 /nfs/dbraw/zinc/62/06/90/563620690.db2.gz ROMKRSAVKQJLAG-KRWDZBQOSA-N 1 2 389.297 3.000 20 30 GFEDLO N#Cc1c(Br)cccc1N1CC[NH+]([C@H](C(N)=O)c2ccccc2)CC1 ZINC000439962695 563733226 /nfs/dbraw/zinc/73/32/26/563733226.db2.gz RJOMBECPRLOCGH-SFHVURJKSA-N 1 2 399.292 2.669 20 30 GFEDLO N#Cc1cc(Cl)ccc1S(=O)(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000443012142 563787115 /nfs/dbraw/zinc/78/71/15/563787115.db2.gz GNPPDFUXVFLLIS-UHFFFAOYSA-N 1 2 381.910 2.610 20 30 GFEDLO N#Cc1cc(Cl)ccc1S(=O)(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000443012142 563787116 /nfs/dbraw/zinc/78/71/16/563787116.db2.gz GNPPDFUXVFLLIS-UHFFFAOYSA-N 1 2 381.910 2.610 20 30 GFEDLO C=CCOc1c(Br)cc(C[N@@H+]2CCN3CCOC[C@H]3C2)cc1OC ZINC000543620870 564355946 /nfs/dbraw/zinc/35/59/46/564355946.db2.gz SQLVYRZWGSWKNZ-OAHLLOKOSA-N 1 2 397.313 2.539 20 30 GFEDLO C=CCOc1c(Br)cc(C[N@H+]2CCN3CCOC[C@H]3C2)cc1OC ZINC000543620870 564355950 /nfs/dbraw/zinc/35/59/50/564355950.db2.gz SQLVYRZWGSWKNZ-OAHLLOKOSA-N 1 2 397.313 2.539 20 30 GFEDLO C=CCOc1c(Br)cc(CN2CC[N@@H+]3CCOC[C@H]3C2)cc1OC ZINC000543620870 564355955 /nfs/dbraw/zinc/35/59/55/564355955.db2.gz SQLVYRZWGSWKNZ-OAHLLOKOSA-N 1 2 397.313 2.539 20 30 GFEDLO C=CCOc1c(Br)cc(CN2CC[N@H+]3CCOC[C@H]3C2)cc1OC ZINC000543620870 564355960 /nfs/dbraw/zinc/35/59/60/564355960.db2.gz SQLVYRZWGSWKNZ-OAHLLOKOSA-N 1 2 397.313 2.539 20 30 GFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)COc3ccsc3Cl)CC2)cc1 ZINC000551778871 564663133 /nfs/dbraw/zinc/66/31/33/564663133.db2.gz PHWWYHKLNLMZDH-UHFFFAOYSA-N 1 2 375.881 2.996 20 30 GFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cc(Br)cc(Br)c1 ZINC000575185573 564693676 /nfs/dbraw/zinc/69/36/76/564693676.db2.gz CTFQZGVCGGTNSU-CYBMUJFWSA-N 1 2 389.091 2.785 20 30 GFEDLO C[C@@H]1C[C@H](NS(=O)(=O)c2cc(Br)cc(C#N)c2)c2[nH+]ccn21 ZINC000580993299 564783209 /nfs/dbraw/zinc/78/32/09/564783209.db2.gz JMCGQVWYYNZUSH-RNCFNFMXSA-N 1 2 381.255 2.502 20 30 GFEDLO C=CC[N@@H+](CCCS(=O)(=O)N(C)C)Cc1cc(Br)ccc1F ZINC000491048599 564785399 /nfs/dbraw/zinc/78/53/99/564785399.db2.gz JCIJIYPUIBERDC-UHFFFAOYSA-N 1 2 393.322 2.858 20 30 GFEDLO C=CC[N@H+](CCCS(=O)(=O)N(C)C)Cc1cc(Br)ccc1F ZINC000491048599 564785403 /nfs/dbraw/zinc/78/54/03/564785403.db2.gz JCIJIYPUIBERDC-UHFFFAOYSA-N 1 2 393.322 2.858 20 30 GFEDLO C[N@H+](CC(=O)N(CCC#N)CCC#N)Cc1ccc(Br)c(F)c1 ZINC000494246307 564820402 /nfs/dbraw/zinc/82/04/02/564820402.db2.gz ZUQADVKQJDJBNH-UHFFFAOYSA-N 1 2 381.249 2.676 20 30 GFEDLO C[N@@H+](CC(=O)N(CCC#N)CCC#N)Cc1ccc(Br)c(F)c1 ZINC000494246307 564820403 /nfs/dbraw/zinc/82/04/03/564820403.db2.gz ZUQADVKQJDJBNH-UHFFFAOYSA-N 1 2 381.249 2.676 20 30 GFEDLO C=CC[N@@H+](CCS(=O)(=O)c1ccc(Br)cc1)[C@H](C)COC ZINC000661245501 565315977 /nfs/dbraw/zinc/31/59/77/565315977.db2.gz BQWDRZLMNAKNPC-CYBMUJFWSA-N 1 2 376.316 2.746 20 30 GFEDLO C=CC[N@H+](CCS(=O)(=O)c1ccc(Br)cc1)[C@H](C)COC ZINC000661245501 565315981 /nfs/dbraw/zinc/31/59/81/565315981.db2.gz BQWDRZLMNAKNPC-CYBMUJFWSA-N 1 2 376.316 2.746 20 30 GFEDLO CC#CC[NH2+]Cc1cn([C@@H](C)C(=O)Nc2ccc(C)cc2Br)nn1 ZINC000640885612 565335326 /nfs/dbraw/zinc/33/53/26/565335326.db2.gz CMEKYXKCJBROTM-ZDUSSCGKSA-N 1 2 390.285 2.662 20 30 GFEDLO C[N@@H+]1CC[C@H](NS(=O)(=O)c2ccsc2C#N)[C@H]1c1ccc(Cl)cc1 ZINC000593571542 565342820 /nfs/dbraw/zinc/34/28/20/565342820.db2.gz UTQWTGWUUZKORU-XJKSGUPXSA-N 1 2 381.910 2.997 20 30 GFEDLO Cn1nccc1[C@H]1c2[nH]c[nH+]c2CCN1Cc1ccc(C#N)cc1Br ZINC000599443597 565679711 /nfs/dbraw/zinc/67/97/11/565679711.db2.gz CKNDYINMEPNQQO-SFHVURJKSA-N 1 2 397.280 2.925 20 30 GFEDLO N#Cc1cc(Br)ccc1C(=O)N1CC[NH+](CCc2ccncc2)CC1 ZINC000602198074 565830005 /nfs/dbraw/zinc/83/00/05/565830005.db2.gz JHBXHOODFATPKT-UHFFFAOYSA-N 1 2 399.292 2.716 20 30 GFEDLO C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602867303 565872005 /nfs/dbraw/zinc/87/20/05/565872005.db2.gz XWRYTGOIDSTJQL-MJBXVCDLSA-N 1 2 379.302 2.694 20 30 GFEDLO C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602867303 565872010 /nfs/dbraw/zinc/87/20/10/565872010.db2.gz XWRYTGOIDSTJQL-MJBXVCDLSA-N 1 2 379.302 2.694 20 30 GFEDLO C[C@@H](NC(=O)C[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1)c1ccc(Br)cc1 ZINC000602857740 565872051 /nfs/dbraw/zinc/87/20/51/565872051.db2.gz UONSLOGGKHUJMR-QLFBSQMISA-N 1 2 393.329 2.544 20 30 GFEDLO C[C@@H](NC(=O)C[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1)c1ccc(Br)cc1 ZINC000602857740 565872053 /nfs/dbraw/zinc/87/20/53/565872053.db2.gz UONSLOGGKHUJMR-QLFBSQMISA-N 1 2 393.329 2.544 20 30 GFEDLO CC(=[NH+]Nc1ccc(-c2nn[nH]n2)cc1)c1c(F)cccc1N1CCOCC1 ZINC000735450916 599032231 /nfs/dbraw/zinc/03/22/31/599032231.db2.gz JVJUASKOQKTAFS-UHFFFAOYSA-N 1 2 381.415 2.679 20 30 GFEDLO Clc1cc(N[NH+]=Cc2ccc(N3CCOCC3)s2)ccc1-c1nn[nH]n1 ZINC000826351388 609471783 /nfs/dbraw/zinc/47/17/83/609471783.db2.gz KPLGHYKTNHCBIS-UHFFFAOYSA-N 1 2 389.872 2.864 20 30 GFEDLO COc1cccc(OCC[NH+]2CCN(c3nc(Cl)c(C#N)s3)CC2)c1 ZINC000804558957 659657050 /nfs/dbraw/zinc/65/70/50/659657050.db2.gz NJQJVKUOCXOSPU-UHFFFAOYSA-N 1 2 378.885 2.878 20 30 GFEDLO C=C(Cl)CSc1nc(C)c(CC(=O)N(C)CC[NH+]2CCOCC2)s1 ZINC000819224531 660250745 /nfs/dbraw/zinc/25/07/45/660250745.db2.gz HLWFOGRAFUGTGK-UHFFFAOYSA-N 1 2 389.974 2.629 20 30 GFEDLO Cc1cc(Br)cn2cc(CCNC(=O)N(C)C[C@H](C)C#N)[nH+]c12 ZINC000273410293 655142362 /nfs/dbraw/zinc/14/23/62/655142362.db2.gz CNOFNSIQEKQXGS-LLVKDONJSA-N 1 2 378.274 2.749 20 30 GFEDLO C[C@@H](C#N)C[NH2+]Cc1ccc(Br)cc1SCCS(C)(=O)=O ZINC000757907674 655918280 /nfs/dbraw/zinc/91/82/80/655918280.db2.gz SWVPFALBRKLMCW-NSHDSACASA-N 1 2 391.356 2.835 20 30 GFEDLO NC(=[NH+]OCC(=O)NCCc1ccc(F)cc1)c1ccc(Br)cc1 ZINC000782947649 657195710 /nfs/dbraw/zinc/19/57/10/657195710.db2.gz FQSRADBYMPYWGB-UHFFFAOYSA-N 1 2 394.244 2.584 20 30 GFEDLO COc1ccccc1NC(=O)CO[NH+]=C(N)c1ccc(Br)cc1 ZINC000782947536 657196177 /nfs/dbraw/zinc/19/61/77/657196177.db2.gz AWSXNCSDJOHVNX-UHFFFAOYSA-N 1 2 378.226 2.733 20 30 GFEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc(Br)c3)n2CC=C)CC1 ZINC000800774264 659330270 /nfs/dbraw/zinc/33/02/70/659330270.db2.gz QGVDWDIBRILZJX-UHFFFAOYSA-N 1 2 386.297 2.649 20 30 GFEDLO C#Cc1cncc(C(=O)NCCc2cn3cc(Br)cc(C)c3[nH+]2)c1 ZINC000807244570 659850184 /nfs/dbraw/zinc/85/01/84/659850184.db2.gz JEQJSSYTYFMIQD-UHFFFAOYSA-N 1 2 383.249 2.754 20 30 GFEDLO C=CCOc1c(Br)cc(C[NH2+]Cc2cnn(C)n2)cc1OCC ZINC000808416937 659893557 /nfs/dbraw/zinc/89/35/57/659893557.db2.gz SOMUFDJDAXQJML-UHFFFAOYSA-N 1 2 381.274 2.831 20 30 GFEDLO C#C[C@H](CC)NC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000854077523 661913800 /nfs/dbraw/zinc/91/38/00/661913800.db2.gz VMEFQGYTGPZCMY-CYBMUJFWSA-N 1 2 379.258 2.862 20 30 GFEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1C[C@@H](c2ccc(Br)cc2)C[C@H]1C ZINC000884440205 663070768 /nfs/dbraw/zinc/07/07/68/663070768.db2.gz APVGKLIKWAYOBG-INWMFGNUSA-N 1 2 395.297 2.600 20 30 GFEDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000931378652 664793110 /nfs/dbraw/zinc/79/31/10/664793110.db2.gz CIUDDSFVUIIZAM-LBPRGKRZSA-N 1 2 381.274 2.505 20 30 GFEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932946241 664844298 /nfs/dbraw/zinc/84/42/98/664844298.db2.gz NTPSVIITGPOAAP-HLTSFMKQSA-N 1 2 380.279 2.780 20 30 GFEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932946241 664844302 /nfs/dbraw/zinc/84/43/02/664844302.db2.gz NTPSVIITGPOAAP-HLTSFMKQSA-N 1 2 380.279 2.780 20 30 GFEDLO O=C1C=COC2(CC[NH+](C[C@@H](O)c3ccc(F)c(Br)c3)CC2)C1 ZINC000933647429 664871116 /nfs/dbraw/zinc/87/11/16/664871116.db2.gz AJIMWYADQYLTJT-MRXNPFEDSA-N 1 2 384.245 2.959 20 30 GFEDLO N#Cc1ccc(C[N@H+]2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)s1 ZINC000121700859 551240390 /nfs/dbraw/zinc/24/03/90/551240390.db2.gz MHWHTMQESQCVLE-UHFFFAOYSA-N 1 2 379.482 2.655 20 30 GFEDLO N#Cc1ccc(C[N@@H+]2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)s1 ZINC000121700859 551240392 /nfs/dbraw/zinc/24/03/92/551240392.db2.gz MHWHTMQESQCVLE-UHFFFAOYSA-N 1 2 379.482 2.655 20 30 GFEDLO C=CCC[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000178026239 552162739 /nfs/dbraw/zinc/16/27/39/552162739.db2.gz YJTSNKBYEUNJOJ-CYBMUJFWSA-N 1 2 393.336 2.627 20 30 GFEDLO N#Cc1ccc(N2CC[NH+](C[C@@H](O)c3ccccc3Br)CC2)nc1 ZINC000179001730 552181801 /nfs/dbraw/zinc/18/18/01/552181801.db2.gz UZHYCJXRDUZJHV-QGZVFWFLSA-N 1 2 387.281 2.571 20 30 GFEDLO N#Cc1ccc(C[NH+]2CCC(NS(=O)(=O)c3cccs3)CC2)cc1F ZINC000191884998 552541147 /nfs/dbraw/zinc/54/11/47/552541147.db2.gz SKEQMTNFDVNXJX-UHFFFAOYSA-N 1 2 379.482 2.702 20 30 GFEDLO C[NH+](C)[C@@H](CNS(=O)(=O)Cc1cccc(C#N)c1)c1ccccc1Cl ZINC000192966808 552979248 /nfs/dbraw/zinc/97/92/48/552979248.db2.gz YGUIMYCOUVFVKG-SFHVURJKSA-N 1 2 377.897 2.934 20 30 GFEDLO N#C[C@H]1CC[C@@H]([NH+]2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)C1 ZINC000278564339 563261917 /nfs/dbraw/zinc/26/19/17/563261917.db2.gz IREJUGHTOCACNY-QWHCGFSZSA-N 1 2 388.320 2.992 20 30 GFEDLO C[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)[C@H](CO)c1ccc(Cl)cc1 ZINC000296049958 563273204 /nfs/dbraw/zinc/27/32/04/563273204.db2.gz AXIXPUSFYPBZMO-GOSISDBHSA-N 1 2 378.881 2.651 20 30 GFEDLO C[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)[C@H](CO)c1ccc(Cl)cc1 ZINC000296049958 563273206 /nfs/dbraw/zinc/27/32/06/563273206.db2.gz AXIXPUSFYPBZMO-GOSISDBHSA-N 1 2 378.881 2.651 20 30 GFEDLO N#Cc1ncn(C2CC[NH+](Cc3cn4cc(Cl)cc(Cl)c4n3)CC2)n1 ZINC000373399868 563336739 /nfs/dbraw/zinc/33/67/39/563336739.db2.gz NEJKWLDOJGILIN-UHFFFAOYSA-N 1 2 376.251 2.941 20 30 GFEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1ccc(S(=O)(=O)N(C)C)s1 ZINC000425461254 563423641 /nfs/dbraw/zinc/42/36/41/563423641.db2.gz UUGMFINDYQEIJK-UHFFFAOYSA-N 1 2 384.523 2.662 20 30 GFEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccc(S(=O)(=O)N(C)C)s1 ZINC000425461254 563423643 /nfs/dbraw/zinc/42/36/43/563423643.db2.gz UUGMFINDYQEIJK-UHFFFAOYSA-N 1 2 384.523 2.662 20 30 GFEDLO CC[C@H](NC(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1)c1nc(C(F)(F)F)cs1 ZINC000329919629 563491503 /nfs/dbraw/zinc/49/15/03/563491503.db2.gz GKJXZWXAENRHHM-DCAQKATOSA-N 1 2 378.420 2.542 20 30 GFEDLO CC[C@H](NC(=O)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1)c1nc(C(F)(F)F)cs1 ZINC000329919629 563491505 /nfs/dbraw/zinc/49/15/05/563491505.db2.gz GKJXZWXAENRHHM-DCAQKATOSA-N 1 2 378.420 2.542 20 30 GFEDLO COc1ccc(NC(=O)NCC[N@@H+]2CCOCC2(C)C)cc1Br ZINC000330699695 563518077 /nfs/dbraw/zinc/51/80/77/563518077.db2.gz GJXWKGDWOQHQKG-UHFFFAOYSA-N 1 2 386.290 2.894 20 30 GFEDLO COc1ccc(NC(=O)NCC[N@H+]2CCOCC2(C)C)cc1Br ZINC000330699695 563518080 /nfs/dbraw/zinc/51/80/80/563518080.db2.gz GJXWKGDWOQHQKG-UHFFFAOYSA-N 1 2 386.290 2.894 20 30 GFEDLO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1S(=O)(=O)c1cccc(Br)c1C#N ZINC000408115839 563545462 /nfs/dbraw/zinc/54/54/62/563545462.db2.gz QWDVQTPGFSXPPS-QWHCGFSZSA-N 1 2 398.326 2.568 20 30 GFEDLO C[C@H]1C[N@H+]2CCCC[C@@H]2CN1S(=O)(=O)c1cccc(Br)c1C#N ZINC000408115839 563545463 /nfs/dbraw/zinc/54/54/63/563545463.db2.gz QWDVQTPGFSXPPS-QWHCGFSZSA-N 1 2 398.326 2.568 20 30 GFEDLO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CC[S@](=O)[C@@H](C)C3)sc2C1 ZINC000332004611 563571518 /nfs/dbraw/zinc/57/15/18/563571518.db2.gz WQFGLABEEJARNU-OCDDVZBJSA-N 1 2 379.551 2.526 20 30 GFEDLO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CC[S@](=O)[C@@H](C)C3)sc2C1 ZINC000332004611 563571524 /nfs/dbraw/zinc/57/15/24/563571524.db2.gz WQFGLABEEJARNU-OCDDVZBJSA-N 1 2 379.551 2.526 20 30 GFEDLO COCCN(c1cc[nH+]cc1)S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000433870037 563621839 /nfs/dbraw/zinc/62/18/39/563621839.db2.gz VMXRQYNMXRXNNX-UHFFFAOYSA-N 1 2 396.266 2.557 20 30 GFEDLO CC[C@H](C#N)Sc1nc2ccsc2c(=O)n1CCC[NH+]1CCOCC1 ZINC000436049877 563663755 /nfs/dbraw/zinc/66/37/55/563663755.db2.gz YMDUALDJMKVDSW-CYBMUJFWSA-N 1 2 378.523 2.575 20 30 GFEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000437628717 563697274 /nfs/dbraw/zinc/69/72/74/563697274.db2.gz JPXQMMOVLWOZOF-LRDDRELGSA-N 1 2 393.285 2.877 20 30 GFEDLO C[N@H+](CCC#N)C[C@@H](O)CSc1n[nH]c(-c2ccccc2Br)n1 ZINC000414094182 563718976 /nfs/dbraw/zinc/71/89/76/563718976.db2.gz HXNKZTAGDFMASG-LLVKDONJSA-N 1 2 396.314 2.533 20 30 GFEDLO C[N@@H+](CCC#N)C[C@@H](O)CSc1n[nH]c(-c2ccccc2Br)n1 ZINC000414094182 563718979 /nfs/dbraw/zinc/71/89/79/563718979.db2.gz HXNKZTAGDFMASG-LLVKDONJSA-N 1 2 396.314 2.533 20 30 GFEDLO Cc1ccc(S(=O)(=O)NCC[N@@H+](C)Cc2ccc(C#N)cc2Cl)cc1 ZINC000439451143 563725916 /nfs/dbraw/zinc/72/59/16/563725916.db2.gz LPYVRPKTBSNDEP-UHFFFAOYSA-N 1 2 377.897 2.930 20 30 GFEDLO Cc1ccc(S(=O)(=O)NCC[N@H+](C)Cc2ccc(C#N)cc2Cl)cc1 ZINC000439451143 563725918 /nfs/dbraw/zinc/72/59/18/563725918.db2.gz LPYVRPKTBSNDEP-UHFFFAOYSA-N 1 2 377.897 2.930 20 30 GFEDLO Cc1nc(C[N@@H+](C)[C@H]2CCN(c3ccc(Br)cc3C#N)C2)no1 ZINC000363685734 563730395 /nfs/dbraw/zinc/73/03/95/563730395.db2.gz IVUAHGLTAYLGLP-AWEZNQCLSA-N 1 2 376.258 2.723 20 30 GFEDLO Cc1nc(C[N@H+](C)[C@H]2CCN(c3ccc(Br)cc3C#N)C2)no1 ZINC000363685734 563730397 /nfs/dbraw/zinc/73/03/97/563730397.db2.gz IVUAHGLTAYLGLP-AWEZNQCLSA-N 1 2 376.258 2.723 20 30 GFEDLO CCCn1nc2c(cc1=O)C[N@@H+](Cc1cc(C#N)ccc1Br)CC2 ZINC000365370372 563781003 /nfs/dbraw/zinc/78/10/03/563781003.db2.gz YKXPHMNIPZORRI-UHFFFAOYSA-N 1 2 387.281 2.846 20 30 GFEDLO CCCn1nc2c(cc1=O)C[N@H+](Cc1cc(C#N)ccc1Br)CC2 ZINC000365370372 563781006 /nfs/dbraw/zinc/78/10/06/563781006.db2.gz YKXPHMNIPZORRI-UHFFFAOYSA-N 1 2 387.281 2.846 20 30 GFEDLO CCn1cc[nH+]c1[C@H](C)NS(=O)(=O)c1cc(Br)ccc1C#N ZINC000416493564 563838769 /nfs/dbraw/zinc/83/87/69/563838769.db2.gz HUGSBXQZXRULBG-JTQLQIEISA-N 1 2 383.271 2.577 20 30 GFEDLO CN(Cc1cn2c([nH+]1)CCCC2)S(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000451435902 564313258 /nfs/dbraw/zinc/31/32/58/564313258.db2.gz VQSMXSHKVLQPIA-UHFFFAOYSA-N 1 2 378.885 2.760 20 30 GFEDLO C[C@H](Cc1ccsc1)[NH+]1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000543057344 564336078 /nfs/dbraw/zinc/33/60/78/564336078.db2.gz BCTBIYDJGOCDRU-OAHLLOKOSA-N 1 2 375.519 2.557 20 30 GFEDLO N#Cc1c(Br)cccc1NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000572689175 564605449 /nfs/dbraw/zinc/60/54/49/564605449.db2.gz QJKSCGSKIXQAFG-MRXNPFEDSA-N 1 2 382.327 2.941 20 30 GFEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCN(c2cccc(Br)c2)CC1 ZINC000551709605 564661685 /nfs/dbraw/zinc/66/16/85/564661685.db2.gz FGQBDBKRHIOFRX-HNNXBMFYSA-N 1 2 393.329 2.579 20 30 GFEDLO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)c1nc(C(C)(C)C)cs1 ZINC000576784442 564719025 /nfs/dbraw/zinc/71/90/25/564719025.db2.gz CTQUNPUBEDEMQK-GFCCVEGCSA-N 1 2 378.523 2.832 20 30 GFEDLO C=CCCCS(=O)(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000489630682 564746726 /nfs/dbraw/zinc/74/67/26/564746726.db2.gz FOPLTWOCHYIOOP-UHFFFAOYSA-N 1 2 386.315 2.833 20 30 GFEDLO Cn1cc[nH+]c1[C@H](NS(=O)(=O)CC1(C#N)CCC1)c1ccc(Cl)cc1 ZINC000579893017 564753324 /nfs/dbraw/zinc/75/33/24/564753324.db2.gz OFSLIDQGTYSLTM-OAHLLOKOSA-N 1 2 378.885 2.776 20 30 GFEDLO N#CC1(C[C@H](O)C[NH+]2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)CC1 ZINC000528355272 564780619 /nfs/dbraw/zinc/78/06/19/564780619.db2.gz UGASZHAEQAAZIY-ZDUSSCGKSA-N 1 2 382.291 2.806 20 30 GFEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1nc2ccc(Br)cc2o1 ZINC000463085068 564868744 /nfs/dbraw/zinc/86/87/44/564868744.db2.gz CSVDWNCPGBGJPL-UHFFFAOYSA-N 1 2 393.285 2.638 20 30 GFEDLO C=CCN1CC[C@H]([N@H+](C)CC[S@@](=O)c2cc(Cl)ccc2Cl)C1=O ZINC000499995677 564942211 /nfs/dbraw/zinc/94/22/11/564942211.db2.gz KNVDIHQTIRHIKF-LFVRLGFBSA-N 1 2 375.321 2.820 20 30 GFEDLO C=CCN1CC[C@H]([N@@H+](C)CC[S@@](=O)c2cc(Cl)ccc2Cl)C1=O ZINC000499995677 564942214 /nfs/dbraw/zinc/94/22/14/564942214.db2.gz KNVDIHQTIRHIKF-LFVRLGFBSA-N 1 2 375.321 2.820 20 30 GFEDLO C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CCN(c2cccc(Br)c2)CC1 ZINC000560170160 564952350 /nfs/dbraw/zinc/95/23/50/564952350.db2.gz OEHUOMIFJXRPAM-CQSZACIVSA-N 1 2 391.313 2.522 20 30 GFEDLO N#CCCCNC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000501829747 564986658 /nfs/dbraw/zinc/98/66/58/564986658.db2.gz NHDXMSJBQVJAGX-UHFFFAOYSA-N 1 2 380.246 2.754 20 30 GFEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)CSCC[NH+]1CCOCC1 ZINC000536446404 565036740 /nfs/dbraw/zinc/03/67/40/565036740.db2.gz CDRVKIAWEMGMIQ-HNNXBMFYSA-N 1 2 379.551 2.942 20 30 GFEDLO NS(=O)(=O)c1ccc(C[N@@H+]2C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C2)c(F)c1 ZINC000638159641 565187629 /nfs/dbraw/zinc/18/76/29/565187629.db2.gz RSYAUHKALHTADR-AOOOYVTPSA-N 1 2 394.312 2.646 20 30 GFEDLO NS(=O)(=O)c1ccc(C[N@H+]2C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C2)c(F)c1 ZINC000638159641 565187632 /nfs/dbraw/zinc/18/76/32/565187632.db2.gz RSYAUHKALHTADR-AOOOYVTPSA-N 1 2 394.312 2.646 20 30 GFEDLO COc1ccc(Br)c([C@@H](CO)[N@H+](C)Cc2ccnc(C#N)c2)c1 ZINC000590755854 565200775 /nfs/dbraw/zinc/20/07/75/565200775.db2.gz SCXXDLFJCNATMU-QGZVFWFLSA-N 1 2 376.254 2.890 20 30 GFEDLO COc1ccc(Br)c([C@@H](CO)[N@@H+](C)Cc2ccnc(C#N)c2)c1 ZINC000590755854 565200781 /nfs/dbraw/zinc/20/07/81/565200781.db2.gz SCXXDLFJCNATMU-QGZVFWFLSA-N 1 2 376.254 2.890 20 30 GFEDLO N#Cc1ccc(S(=O)(=O)CC[NH+]2CCC3(CC2)C(F)(F)C3(F)F)cc1 ZINC000593054801 565310544 /nfs/dbraw/zinc/31/05/44/565310544.db2.gz LJQGAVCUBZVQDX-UHFFFAOYSA-N 1 2 376.375 2.698 20 30 GFEDLO C[C@@H]1CN(S(=O)(=O)c2ccsc2C#N)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000593568794 565342600 /nfs/dbraw/zinc/34/26/00/565342600.db2.gz JCYRWPZGXCCQEE-CABCVRRESA-N 1 2 375.519 2.903 20 30 GFEDLO C[C@@H]1CN(S(=O)(=O)c2ccsc2C#N)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000593568794 565342606 /nfs/dbraw/zinc/34/26/06/565342606.db2.gz JCYRWPZGXCCQEE-CABCVRRESA-N 1 2 375.519 2.903 20 30 GFEDLO C[N@@H+]1CC[C@H](NS(=O)(=O)c2ccsc2C#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000593568451 565342688 /nfs/dbraw/zinc/34/26/88/565342688.db2.gz HSMWORKVCMAWII-BBRMVZONSA-N 1 2 383.445 2.622 20 30 GFEDLO N#Cc1cc(Cl)ccc1S(=O)(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000594802828 565423300 /nfs/dbraw/zinc/42/33/00/565423300.db2.gz DTUYRXVBWOONNL-UHFFFAOYSA-N 1 2 376.869 2.685 20 30 GFEDLO N#CC[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(I)cc2)C1 ZINC000595613265 565485112 /nfs/dbraw/zinc/48/51/12/565485112.db2.gz BPXINTININUVKE-GFCCVEGCSA-N 1 2 383.233 2.855 20 30 GFEDLO N#CC[C@H]1CCC[N@H+](CC(=O)Nc2ccc(I)cc2)C1 ZINC000595613265 565485116 /nfs/dbraw/zinc/48/51/16/565485116.db2.gz BPXINTININUVKE-GFCCVEGCSA-N 1 2 383.233 2.855 20 30 GFEDLO C=CC[N@H+](CC(=O)Nc1ccccc1I)[C@@H](C)COC ZINC000595639878 565486275 /nfs/dbraw/zinc/48/62/75/565486275.db2.gz YMKZPNNPIJKHKO-LBPRGKRZSA-N 1 2 388.249 2.753 20 30 GFEDLO C=CC[N@@H+](CC(=O)Nc1ccccc1I)[C@@H](C)COC ZINC000595639878 565486280 /nfs/dbraw/zinc/48/62/80/565486280.db2.gz YMKZPNNPIJKHKO-LBPRGKRZSA-N 1 2 388.249 2.753 20 30 GFEDLO C[C@](C#N)(NC(=O)C[NH+]1CCN(c2ccc(Cl)c(Cl)c2)CC1)C1CC1 ZINC000595658616 565487313 /nfs/dbraw/zinc/48/73/13/565487313.db2.gz GCYMZVWPQIJKLU-GOSISDBHSA-N 1 2 381.307 2.924 20 30 GFEDLO C=CCCSCCNC(=O)NC[C@@H](c1cccs1)[NH+]1CCN(C)CC1 ZINC000596092042 565513033 /nfs/dbraw/zinc/51/30/33/565513033.db2.gz IEOAIRYUMPPKOX-INIZCTEOSA-N 1 2 382.599 2.645 20 30 GFEDLO C[C@@H](O)CNc1[nH+]c2ccccc2n1Cc1ccc(C#N)cc1Br ZINC000611495128 566132116 /nfs/dbraw/zinc/13/21/16/566132116.db2.gz CRISPHCKLYASFA-GFCCVEGCSA-N 1 2 385.265 2.933 20 30 GFEDLO C=C1CC[NH+](CC(=O)Nc2c(-c3nn[nH]n3)c(C)c(C)n2C2CCCC2)CC1 ZINC000735403226 598504629 /nfs/dbraw/zinc/50/46/29/598504629.db2.gz RVPIDHQAOYYJNE-UHFFFAOYSA-N 1 2 383.500 2.991 20 30 GFEDLO CC(C)Cc1nc(-c2nn[nH]n2)c(N=NC2C[N@H+](Cc3ccccc3)C[C@H]2C)o1 ZINC000820107698 606340543 /nfs/dbraw/zinc/34/05/43/606340543.db2.gz ABGOCLRLBMZUSC-CQSZACIVSA-N 1 2 394.483 2.973 20 30 GFEDLO CC(C)Cc1nc(-c2nn[nH]n2)c(N=NC2C[N@@H+](Cc3ccccc3)C[C@H]2C)o1 ZINC000820107698 606340545 /nfs/dbraw/zinc/34/05/45/606340545.db2.gz ABGOCLRLBMZUSC-CQSZACIVSA-N 1 2 394.483 2.973 20 30 GFEDLO N#Cc1csc(C[N@@H+]2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000826387730 608509414 /nfs/dbraw/zinc/50/94/14/608509414.db2.gz NPXNXDOQSDHUDL-UHFFFAOYSA-N 1 2 379.493 2.508 20 30 GFEDLO N#Cc1csc(C[N@H+]2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000826387730 608509415 /nfs/dbraw/zinc/50/94/15/608509415.db2.gz NPXNXDOQSDHUDL-UHFFFAOYSA-N 1 2 379.493 2.508 20 30 GFEDLO C=C(Br)C[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000818979476 660240786 /nfs/dbraw/zinc/24/07/86/660240786.db2.gz NSVSKPCNTKTYFM-UHFFFAOYSA-N 1 2 383.105 2.721 20 30 GFEDLO C=CC[NH+]1CCC(Nc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])CC1 ZINC000264819322 655471242 /nfs/dbraw/zinc/47/12/42/655471242.db2.gz XONWBMJZXWNVSD-UHFFFAOYSA-N 1 2 375.397 2.653 20 30 GFEDLO C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@@H]2CCCC[N@H+]2C)nc1C ZINC000731867704 655587768 /nfs/dbraw/zinc/58/77/68/655587768.db2.gz QIBMURYCLHMAMH-NSHDSACASA-N 1 2 378.527 2.608 20 30 GFEDLO C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@@H]2CCCC[N@@H+]2C)nc1C ZINC000731867704 655587771 /nfs/dbraw/zinc/58/77/71/655587771.db2.gz QIBMURYCLHMAMH-NSHDSACASA-N 1 2 378.527 2.608 20 30 GFEDLO C=CCCn1cc(C[NH2+]CC(=O)Nc2cc(Br)ccc2C)nn1 ZINC000850102474 661765314 /nfs/dbraw/zinc/76/53/14/661765314.db2.gz OFIDOADQJFYKOF-UHFFFAOYSA-N 1 2 378.274 2.653 20 30 GFEDLO O=C(Cn1cc[nH+]c1)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000885287411 663088662 /nfs/dbraw/zinc/08/86/62/663088662.db2.gz REDVEBRNCDYZOJ-HTQZYQBOSA-N 1 2 377.235 2.513 20 30 GFEDLO Nc1cnc(C[NH+]2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)cn1 ZINC000904428226 663833929 /nfs/dbraw/zinc/83/39/29/663833929.db2.gz GZTVBOLZCXGRET-HTQZYQBOSA-N 1 2 376.251 2.662 20 30 GFEDLO N#Cc1ccc(Br)c(C[NH2+]Cc2cccc(N3CCOCC3)n2)c1 ZINC000922014495 664581222 /nfs/dbraw/zinc/58/12/22/664581222.db2.gz RMIXLUWCJIBQAY-UHFFFAOYSA-N 1 2 387.281 2.842 20 30 GFEDLO Cc1nc(S(=O)(=O)N2CC[NH+](CCCCC3(C#N)CCC3)CC2)cs1 ZINC000929964238 664760553 /nfs/dbraw/zinc/76/05/53/664760553.db2.gz SSUMAONERSXMJV-UHFFFAOYSA-N 1 2 382.555 2.622 20 30 GFEDLO C=CC[N@@H+](Cc1ccc(OC(F)F)c(OCC)c1)[C@H]1CCS(=O)(=O)C1 ZINC000092361637 551194409 /nfs/dbraw/zinc/19/44/09/551194409.db2.gz WUXYTXRBTSRNJR-AWEZNQCLSA-N 1 2 375.437 2.862 20 30 GFEDLO C=CC[N@H+](Cc1ccc(OC(F)F)c(OCC)c1)[C@H]1CCS(=O)(=O)C1 ZINC000092361637 551194411 /nfs/dbraw/zinc/19/44/11/551194411.db2.gz WUXYTXRBTSRNJR-AWEZNQCLSA-N 1 2 375.437 2.862 20 30 GFEDLO CN(C)c1[nH+]cccc1N(C)S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000154023289 551465392 /nfs/dbraw/zinc/46/53/92/551465392.db2.gz LNNQAYUWEKCWGG-UHFFFAOYSA-N 1 2 395.282 2.607 20 30 GFEDLO CC[N@@H+]1CC[C@H](NS(=O)(=O)CC2(C#N)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000166267743 551631415 /nfs/dbraw/zinc/63/14/15/551631415.db2.gz CRNGIMJXNVDPNQ-HOTGVXAUSA-N 1 2 385.892 2.838 20 30 GFEDLO CC[N@H+]1CC[C@H](NS(=O)(=O)CC2(C#N)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000166267743 551631418 /nfs/dbraw/zinc/63/14/18/551631418.db2.gz CRNGIMJXNVDPNQ-HOTGVXAUSA-N 1 2 385.892 2.838 20 30 GFEDLO C=CC[NH+]1CCC(NS(=O)(=O)c2cc(F)c(Br)cc2F)CC1 ZINC000179290228 552189084 /nfs/dbraw/zinc/18/90/84/552189084.db2.gz LTZYLOCLOPBBNJ-UHFFFAOYSA-N 1 2 395.269 2.656 20 30 GFEDLO CC[C@H](C)NC(=O)C[NH+]1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000181439031 552256612 /nfs/dbraw/zinc/25/66/12/552256612.db2.gz BPGUSRXQUGEKLI-YOEHRIQHSA-N 1 2 393.329 2.546 20 30 GFEDLO CC(C)Cn1cc[nH+]c1CNS(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000182415222 552283194 /nfs/dbraw/zinc/28/31/94/552283194.db2.gz SQPDGDRFSIDYGV-UHFFFAOYSA-N 1 2 397.298 2.652 20 30 GFEDLO COc1c(Br)cccc1CN(CCC#N)CC[NH+]1CCOCC1 ZINC000186746994 552396243 /nfs/dbraw/zinc/39/62/43/552396243.db2.gz BGUPCHDKLSGTDA-UHFFFAOYSA-N 1 2 382.302 2.506 20 30 GFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000249746649 553146124 /nfs/dbraw/zinc/14/61/24/553146124.db2.gz ZZLYLLLAOVSNKY-XNAIMREJSA-N 1 2 384.307 2.891 20 30 GFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000249746649 553146127 /nfs/dbraw/zinc/14/61/27/553146127.db2.gz ZZLYLLLAOVSNKY-XNAIMREJSA-N 1 2 384.307 2.891 20 30 GFEDLO CS(=O)(=O)[C@@H]1CCCC[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000277753310 563223933 /nfs/dbraw/zinc/22/39/33/563223933.db2.gz LSAFNTYWADPDEQ-MRXNPFEDSA-N 1 2 375.412 2.836 20 30 GFEDLO CS(=O)(=O)[C@@H]1CCCC[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000277753310 563223936 /nfs/dbraw/zinc/22/39/36/563223936.db2.gz LSAFNTYWADPDEQ-MRXNPFEDSA-N 1 2 375.412 2.836 20 30 GFEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)cc1Cl ZINC000277785091 563226048 /nfs/dbraw/zinc/22/60/48/563226048.db2.gz OEZIYVBKKMVOQW-XHDPSFHLSA-N 1 2 375.778 2.785 20 30 GFEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)cc1Cl ZINC000277785091 563226050 /nfs/dbraw/zinc/22/60/50/563226050.db2.gz OEZIYVBKKMVOQW-XHDPSFHLSA-N 1 2 375.778 2.785 20 30 GFEDLO Cc1cc(N2CCCN(S(=O)(=O)c3ccc(Cl)s3)CC2)c(C#N)c[nH+]1 ZINC000425223039 563412744 /nfs/dbraw/zinc/41/27/44/563412744.db2.gz MIDPXORLWPSCQN-UHFFFAOYSA-N 1 2 396.925 2.878 20 30 GFEDLO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000408434985 563555670 /nfs/dbraw/zinc/55/56/70/563555670.db2.gz UESWWYIWFYMAHD-SWLSCSKDSA-N 1 2 398.326 2.568 20 30 GFEDLO C[C@H]1C[N@H+]2CCCC[C@@H]2CN1S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000408434985 563555674 /nfs/dbraw/zinc/55/56/74/563555674.db2.gz UESWWYIWFYMAHD-SWLSCSKDSA-N 1 2 398.326 2.568 20 30 GFEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)cc1Cl ZINC000286628723 563568726 /nfs/dbraw/zinc/56/87/26/563568726.db2.gz SMGHLXLBTLAXGG-DGCLKSJQSA-N 1 2 375.778 2.643 20 30 GFEDLO N#Cc1ccc(NC(=O)C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)cc1Cl ZINC000286628723 563568727 /nfs/dbraw/zinc/56/87/27/563568727.db2.gz SMGHLXLBTLAXGG-DGCLKSJQSA-N 1 2 375.778 2.643 20 30 GFEDLO CC[C@@H](CNS(=O)(=O)c1ccc(C#N)s1)[N@@H+]1CCc2ccccc2C1 ZINC000435442675 563651495 /nfs/dbraw/zinc/65/14/95/563651495.db2.gz JXEXJSXPEWVWLR-INIZCTEOSA-N 1 2 375.519 2.735 20 30 GFEDLO CC[C@@H](CNS(=O)(=O)c1ccc(C#N)s1)[N@H+]1CCc2ccccc2C1 ZINC000435442675 563651499 /nfs/dbraw/zinc/65/14/99/563651499.db2.gz JXEXJSXPEWVWLR-INIZCTEOSA-N 1 2 375.519 2.735 20 30 GFEDLO Cc1nn(C)c(N2CC[NH+](Cc3ccc(C)c(Br)c3)CC2)c1C#N ZINC000471797394 564204269 /nfs/dbraw/zinc/20/42/69/564204269.db2.gz ITUBPDUJAQLYJF-UHFFFAOYSA-N 1 2 388.313 2.993 20 30 GFEDLO N#Cc1cccc(F)c1CC(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000507785668 564243164 /nfs/dbraw/zinc/24/31/64/564243164.db2.gz UIRRMNJPONMHAC-UHFFFAOYSA-N 1 2 387.212 2.966 20 30 GFEDLO Cc1cc[nH+]cc1N1CCN(C(=O)c2ccc(Br)cc2C#N)CC1 ZINC000451633258 564333920 /nfs/dbraw/zinc/33/39/20/564333920.db2.gz QTLJPOYQSMDXKL-UHFFFAOYSA-N 1 2 385.265 2.987 20 30 GFEDLO CS(=O)(=O)C[C@H]1CCCC[N@@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000451654619 564336127 /nfs/dbraw/zinc/33/61/27/564336127.db2.gz VLWUYQRRRYCPFJ-OAHLLOKOSA-N 1 2 375.412 2.836 20 30 GFEDLO CS(=O)(=O)C[C@H]1CCCC[N@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000451654619 564336129 /nfs/dbraw/zinc/33/61/29/564336129.db2.gz VLWUYQRRRYCPFJ-OAHLLOKOSA-N 1 2 375.412 2.836 20 30 GFEDLO CCOC(=O)c1sc([C@@H](C)[NH2+]CC(=O)Nc2sccc2C#N)nc1C ZINC000544514381 564387771 /nfs/dbraw/zinc/38/77/71/564387771.db2.gz YNOUFBASVWSAFR-SNVBAGLBSA-N 1 2 378.479 2.851 20 30 GFEDLO N#Cc1cc(C[NH+]2CCOCC2)cn(Cc2ccc(Cl)cc2Cl)c1=O ZINC000571266202 564543776 /nfs/dbraw/zinc/54/37/76/564543776.db2.gz GNXZMAHODWNJJN-UHFFFAOYSA-N 1 2 378.259 2.907 20 30 GFEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)Cc1ccc(Br)cc1Cl ZINC000484599395 564592127 /nfs/dbraw/zinc/59/21/27/564592127.db2.gz YLRPHCYZUNMDCV-JTQLQIEISA-N 1 2 388.693 2.935 20 30 GFEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(Br)cc1Cl ZINC000484599395 564592129 /nfs/dbraw/zinc/59/21/29/564592129.db2.gz YLRPHCYZUNMDCV-JTQLQIEISA-N 1 2 388.693 2.935 20 30 GFEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)COc1ccc(C#N)c(Br)c1 ZINC000456342867 564601725 /nfs/dbraw/zinc/60/17/25/564601725.db2.gz GAKPPOPWNJBPNA-NSHDSACASA-N 1 2 377.242 2.793 20 30 GFEDLO N#Cc1ccc(S(=O)(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)s1 ZINC000573791765 564654323 /nfs/dbraw/zinc/65/43/23/564654323.db2.gz NWEQPOZANHIOQG-UHFFFAOYSA-N 1 2 376.507 2.721 20 30 GFEDLO N#CC1(C[C@H](O)C[NH+]2CCN(C(=O)c3cc4sccc4s3)CC2)CC1 ZINC000528405684 564782078 /nfs/dbraw/zinc/78/20/78/564782078.db2.gz ULFZGOJRHHSSHC-ZDUSSCGKSA-N 1 2 375.519 2.775 20 30 GFEDLO C=C[C@@](C)(O)CC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000561044346 564981938 /nfs/dbraw/zinc/98/19/38/564981938.db2.gz CJTHWNCVIFGWFX-MRXNPFEDSA-N 1 2 382.258 2.595 20 30 GFEDLO N#Cc1ccc(-c2ccc(S(=O)(=O)CC[N@H+]3CCC[C@@H](O)C3)cc2)s1 ZINC000592987762 565305488 /nfs/dbraw/zinc/30/54/88/565305488.db2.gz BCRMCSRTWYRAIR-OAHLLOKOSA-N 1 2 376.503 2.517 20 30 GFEDLO N#Cc1ccc(-c2ccc(S(=O)(=O)CC[N@@H+]3CCC[C@@H](O)C3)cc2)s1 ZINC000592987762 565305496 /nfs/dbraw/zinc/30/54/96/565305496.db2.gz BCRMCSRTWYRAIR-OAHLLOKOSA-N 1 2 376.503 2.517 20 30 GFEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000619719378 565356060 /nfs/dbraw/zinc/35/60/60/565356060.db2.gz VUSRQSGEGXYHDS-HNNXBMFYSA-N 1 2 381.270 2.827 20 30 GFEDLO N#Cc1c(Cl)cccc1S(=O)(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000594804420 565422876 /nfs/dbraw/zinc/42/28/76/565422876.db2.gz YZJMKWBLCRWZRK-UHFFFAOYSA-N 1 2 376.869 2.685 20 30 GFEDLO C[C@@H]1C[N@H+]([C@H]2CCc3cc(Br)ccc3NC2=O)C[C@H](C)N1CC#N ZINC000602847441 565869942 /nfs/dbraw/zinc/86/99/42/565869942.db2.gz BSMLXIULRDEMTM-AHIWAGSCSA-N 1 2 391.313 2.621 20 30 GFEDLO C[C@@H]1C[N@@H+]([C@H]2CCc3cc(Br)ccc3NC2=O)C[C@H](C)N1CC#N ZINC000602847441 565869947 /nfs/dbraw/zinc/86/99/47/565869947.db2.gz BSMLXIULRDEMTM-AHIWAGSCSA-N 1 2 391.313 2.621 20 30 GFEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000602987493 565878416 /nfs/dbraw/zinc/87/84/16/565878416.db2.gz IUICFRUWPPQVQU-XHVZSJERSA-N 1 2 375.778 2.641 20 30 GFEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000602987493 565878419 /nfs/dbraw/zinc/87/84/19/565878419.db2.gz IUICFRUWPPQVQU-XHVZSJERSA-N 1 2 375.778 2.641 20 30 GFEDLO N#Cc1cc(Br)cc(S(=O)(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000610657863 566092323 /nfs/dbraw/zinc/09/23/23/566092323.db2.gz VEXBXRLJHKWXGY-AWEZNQCLSA-N 1 2 395.282 2.543 20 30 GFEDLO Clc1ccc(C#CC[NH+]2CCN(c3ccccc3-c3nn[nH]n3)CC2)cc1 ZINC000822574072 606110854 /nfs/dbraw/zinc/11/08/54/606110854.db2.gz NXJNSIVJRLTKJD-UHFFFAOYSA-N 1 2 378.867 2.694 20 30 GFEDLO CC(C)c1nc(-c2nn[nH]n2)c(N=NC2CC[NH+](CCC(F)(F)F)CC2)o1 ZINC000824352392 609515824 /nfs/dbraw/zinc/51/58/24/609515824.db2.gz BYTOSTGGIMHOCL-UHFFFAOYSA-N 1 2 386.382 2.794 20 30 GFEDLO C#CCC[NH+]1CCN(C(=O)c2cc(-c3cccc(Br)c3)no2)CC1 ZINC000825077619 660409601 /nfs/dbraw/zinc/40/96/01/660409601.db2.gz CMBWFTONONAWJD-UHFFFAOYSA-N 1 2 388.265 2.885 20 30 GFEDLO C#C[C@@H](NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1)c1ccc(Br)cc1 ZINC000833230746 660805997 /nfs/dbraw/zinc/80/59/97/660805997.db2.gz JBOMIGXZZVQIIO-MSOLQXFVSA-N 1 2 391.309 2.883 20 30 GFEDLO C#C[C@@H](NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1)c1ccc(Br)cc1 ZINC000833230746 660805998 /nfs/dbraw/zinc/80/59/98/660805998.db2.gz JBOMIGXZZVQIIO-MSOLQXFVSA-N 1 2 391.309 2.883 20 30 GFEDLO C#CCNC(=O)[C@H](C)[NH+]1CCN([C@H](CC)c2ccc(Br)cc2)CC1 ZINC000728931636 655560155 /nfs/dbraw/zinc/56/01/55/655560155.db2.gz XHAGXGKXDJGECP-MAUKXSAKSA-N 1 2 392.341 2.656 20 30 GFEDLO Clc1cccc(-n2cc(C=NNC3=[NH+][C@@H]4CCCC[C@@H]4N3)nn2)c1Cl ZINC000755814645 655889314 /nfs/dbraw/zinc/88/93/14/655889314.db2.gz OPLRHLMHTKHRII-BETUJISGSA-N 1 2 378.267 2.768 20 30 GFEDLO Cc1nn(-c2ccc(Br)cc2)c(C)c1C=NNC1=[NH+]C[C@@H](C)N1 ZINC000779791729 656943213 /nfs/dbraw/zinc/94/32/13/656943213.db2.gz KWZUOUCTYCKYHN-SNVBAGLBSA-N 1 2 375.274 2.523 20 30 GFEDLO C#CCNC(=O)CC[N@H+]1CCCC[C@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000815068653 660109045 /nfs/dbraw/zinc/10/90/45/660109045.db2.gz XSKRDABKTKNHMB-INIZCTEOSA-N 1 2 382.291 2.926 20 30 GFEDLO C#CCNC(=O)CC[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000815068653 660109050 /nfs/dbraw/zinc/10/90/50/660109050.db2.gz XSKRDABKTKNHMB-INIZCTEOSA-N 1 2 382.291 2.926 20 30 GFEDLO C[C@@](O)(C[NH+]1CCN(CCC#N)CC1)c1ccc(Br)cc1Cl ZINC000815077167 660110012 /nfs/dbraw/zinc/11/00/12/660110012.db2.gz ALCQQNHRCPAOMG-MRXNPFEDSA-N 1 2 386.721 2.841 20 30 GFEDLO N#Cc1ccc(CN2CC[C@@H]([NH2+]Cc3cccnc3Br)C2=O)cc1 ZINC000865542801 662428227 /nfs/dbraw/zinc/42/82/27/662428227.db2.gz XOZLZVGXOHJSFK-MRXNPFEDSA-N 1 2 385.265 2.606 20 30 GFEDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)Nc2ccc(Br)c(C#N)n2)C1 ZINC000883105777 663049370 /nfs/dbraw/zinc/04/93/70/663049370.db2.gz VIYSUCNDGWPAGT-NSHDSACASA-N 1 2 389.257 2.861 20 30 GFEDLO C#CCSCC(=O)N(CCCn1cc[nH+]c1)c1ccc(Br)cn1 ZINC000891759573 663349491 /nfs/dbraw/zinc/34/94/91/663349491.db2.gz IZFIDZVGHWMJOC-UHFFFAOYSA-N 1 2 393.310 2.830 20 30 GFEDLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1ncc3c(c1C#N)CCCC3)C2 ZINC001165010527 721720480 /nfs/dbraw/zinc/72/04/80/721720480.db2.gz IJNLILSIWFUSLC-UHFFFAOYSA-N 1 2 379.512 2.674 20 30 GFEDLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1ncc3c(c1C#N)CCCC3)C2 ZINC001165010527 721720487 /nfs/dbraw/zinc/72/04/87/721720487.db2.gz IJNLILSIWFUSLC-UHFFFAOYSA-N 1 2 379.512 2.674 20 30 GFEDLO Cc1nc(CN2CCO[C@@H]3CCN(c4cc(CC#N)cc[nH+]4)CC[C@H]32)cs1 ZINC001164989248 722184184 /nfs/dbraw/zinc/18/41/84/722184184.db2.gz LSBSPVMNBNLTIV-RTBURBONSA-N 1 2 383.521 2.782 20 30 GFEDLO CCOc1ccccc1N1CC[NH+]([C@H](C)C(=O)NC2(C#N)CCCCC2)CC1 ZINC000021846861 212105429 /nfs/dbraw/zinc/10/54/29/212105429.db2.gz GIXWBXCZHMJSFF-GOSISDBHSA-N 1 2 384.524 2.938 20 30 GFEDLO N#C[C@H](c1ccc(Br)cc1)N1CC[NH+](C[C@H](O)C(F)(F)F)CC1 ZINC000121873352 551244929 /nfs/dbraw/zinc/24/49/29/551244929.db2.gz RAROIKPYRFJSFW-KGLIPLIRSA-N 1 2 392.219 2.555 20 30 GFEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](NS(=O)(=O)c3cccc(F)c3)C2)s1 ZINC000131485614 551374437 /nfs/dbraw/zinc/37/44/37/551374437.db2.gz UFKNIQGVBPAKIL-AWEZNQCLSA-N 1 2 379.482 2.702 20 30 GFEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](NS(=O)(=O)c3cccc(F)c3)C2)s1 ZINC000131485614 551374438 /nfs/dbraw/zinc/37/44/38/551374438.db2.gz UFKNIQGVBPAKIL-AWEZNQCLSA-N 1 2 379.482 2.702 20 30 GFEDLO N#Cc1cccc(NCC(=O)NCc2cn3cc(Br)ccc3[nH+]2)c1 ZINC000154600474 551478988 /nfs/dbraw/zinc/47/89/88/551478988.db2.gz UMWOGKQXXIFZSY-UHFFFAOYSA-N 1 2 384.237 2.697 20 30 GFEDLO CCOC(=O)[C@H]1CSCC[N@@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000164653311 551626427 /nfs/dbraw/zinc/62/64/27/551626427.db2.gz JOWKUMPMDROURI-OAHLLOKOSA-N 1 2 381.885 2.521 20 30 GFEDLO CCOC(=O)[C@H]1CSCC[N@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000164653311 551626428 /nfs/dbraw/zinc/62/64/28/551626428.db2.gz JOWKUMPMDROURI-OAHLLOKOSA-N 1 2 381.885 2.521 20 30 GFEDLO Cc1ccc(C#N)cc1S(=O)(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000172179280 551672661 /nfs/dbraw/zinc/67/26/61/551672661.db2.gz SDXKOGDKLONIQK-AWEZNQCLSA-N 1 2 375.519 2.653 20 30 GFEDLO Cc1ccc(C#N)cc1S(=O)(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000172179280 551672663 /nfs/dbraw/zinc/67/26/63/551672663.db2.gz SDXKOGDKLONIQK-AWEZNQCLSA-N 1 2 375.519 2.653 20 30 GFEDLO N#Cc1ccc(N2CC[NH+](Cc3ccc(C#N)cc3Br)CC2)nc1 ZINC000181006976 552242442 /nfs/dbraw/zinc/24/24/42/552242442.db2.gz YBPXAQVOCCGJDN-UHFFFAOYSA-N 1 2 382.265 2.910 20 30 GFEDLO C=CC[N@@H+](CCc1cc(Cl)c2c(c1)OCCCO2)[C@H]1CCS(=O)(=O)C1 ZINC000182899374 552295429 /nfs/dbraw/zinc/29/54/29/552295429.db2.gz MILLEKNOGASAQG-HNNXBMFYSA-N 1 2 385.913 2.719 20 30 GFEDLO C=CC[N@H+](CCc1cc(Cl)c2c(c1)OCCCO2)[C@H]1CCS(=O)(=O)C1 ZINC000182899374 552295434 /nfs/dbraw/zinc/29/54/34/552295434.db2.gz MILLEKNOGASAQG-HNNXBMFYSA-N 1 2 385.913 2.719 20 30 GFEDLO N#C[C@H](c1ccc(Br)cc1)N1CC[NH+](CCOCC(F)F)CC1 ZINC000189799580 552480445 /nfs/dbraw/zinc/48/04/45/552480445.db2.gz JVZNLTNYFAZMLW-OAHLLOKOSA-N 1 2 388.256 2.913 20 30 GFEDLO C[N@@H+]1CCN(S(=O)(=O)c2ccc(Cl)cc2C#N)[C@@H](c2ccccc2)C1 ZINC000246043856 553101804 /nfs/dbraw/zinc/10/18/04/553101804.db2.gz BNHDNRYDWGHUKD-QGZVFWFLSA-N 1 2 375.881 2.889 20 30 GFEDLO C[N@H+]1CCN(S(=O)(=O)c2ccc(Cl)cc2C#N)[C@@H](c2ccccc2)C1 ZINC000246043856 553101805 /nfs/dbraw/zinc/10/18/05/553101805.db2.gz BNHDNRYDWGHUKD-QGZVFWFLSA-N 1 2 375.881 2.889 20 30 GFEDLO CC[N@@H+]1CC[C@@H](NS(=O)(=O)CC2(C#N)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000248621569 553131988 /nfs/dbraw/zinc/13/19/88/553131988.db2.gz CRNGIMJXNVDPNQ-HZPDHXFCSA-N 1 2 385.892 2.838 20 30 GFEDLO CC[N@H+]1CC[C@@H](NS(=O)(=O)CC2(C#N)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000248621569 553131990 /nfs/dbraw/zinc/13/19/90/553131990.db2.gz CRNGIMJXNVDPNQ-HZPDHXFCSA-N 1 2 385.892 2.838 20 30 GFEDLO C[N@@H+]1CCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)[C@@H](c2ccccc2)C1 ZINC000249710065 553145818 /nfs/dbraw/zinc/14/58/18/553145818.db2.gz ULYRZUVRMMGPPC-GOSISDBHSA-N 1 2 375.881 2.889 20 30 GFEDLO C[N@H+]1CCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)[C@@H](c2ccccc2)C1 ZINC000249710065 553145819 /nfs/dbraw/zinc/14/58/19/553145819.db2.gz ULYRZUVRMMGPPC-GOSISDBHSA-N 1 2 375.881 2.889 20 30 GFEDLO C[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000249745822 553146082 /nfs/dbraw/zinc/14/60/82/553146082.db2.gz ZNXHNZQFVBAWFY-BPQIPLTHSA-N 1 2 382.291 2.692 20 30 GFEDLO C[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000249745822 553146083 /nfs/dbraw/zinc/14/60/83/553146083.db2.gz ZNXHNZQFVBAWFY-BPQIPLTHSA-N 1 2 382.291 2.692 20 30 GFEDLO CN1C(=O)N[C@@H]2C[N@@H+](CC(=O)NCCc3cccc(Cl)c3Cl)CC[C@@H]21 ZINC000329035158 563470752 /nfs/dbraw/zinc/47/07/52/563470752.db2.gz QYSMMVJIFSKFJG-KGLIPLIRSA-N 1 2 385.295 2.795 20 30 GFEDLO CN1C(=O)N[C@@H]2C[N@H+](CC(=O)NCCc3cccc(Cl)c3Cl)CC[C@@H]21 ZINC000329035158 563470753 /nfs/dbraw/zinc/47/07/53/563470753.db2.gz QYSMMVJIFSKFJG-KGLIPLIRSA-N 1 2 385.295 2.795 20 30 GFEDLO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000330469662 563506555 /nfs/dbraw/zinc/50/65/55/563506555.db2.gz LSRCVQILBNVCKN-SNVBAGLBSA-N 1 2 386.246 2.691 20 30 GFEDLO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000330469662 563506556 /nfs/dbraw/zinc/50/65/56/563506556.db2.gz LSRCVQILBNVCKN-SNVBAGLBSA-N 1 2 386.246 2.691 20 30 GFEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](CO)C2)cc1Cl ZINC000286628719 563568530 /nfs/dbraw/zinc/56/85/30/563568530.db2.gz SMGHLXLBTLAXGG-AAEUAGOBSA-N 1 2 375.778 2.643 20 30 GFEDLO N#Cc1ccc(NC(=O)C[N@H+]2CC[C@H](C(F)(F)F)[C@H](CO)C2)cc1Cl ZINC000286628719 563568532 /nfs/dbraw/zinc/56/85/32/563568532.db2.gz SMGHLXLBTLAXGG-AAEUAGOBSA-N 1 2 375.778 2.643 20 30 GFEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000287350293 563598100 /nfs/dbraw/zinc/59/81/00/563598100.db2.gz XKLTYCDSYGMACC-DOMZBBRYSA-N 1 2 393.285 2.648 20 30 GFEDLO C[C@@H](CCC#N)[NH+]1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000411142337 563607091 /nfs/dbraw/zinc/60/70/91/563607091.db2.gz PDDSHHLPTMWZTQ-ZDUSSCGKSA-N 1 2 375.416 2.704 20 30 GFEDLO C[N@H+](CCC#N)C[C@@H](O)COc1ccc(I)c(Cl)c1 ZINC000414133707 563720526 /nfs/dbraw/zinc/72/05/26/563720526.db2.gz BWXUJKAKCGNUGT-SNVBAGLBSA-N 1 2 394.640 2.530 20 30 GFEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1ccc(I)c(Cl)c1 ZINC000414133707 563720529 /nfs/dbraw/zinc/72/05/29/563720529.db2.gz BWXUJKAKCGNUGT-SNVBAGLBSA-N 1 2 394.640 2.530 20 30 GFEDLO N#Cc1ccc(S(=O)(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)cc1 ZINC000442797026 563780700 /nfs/dbraw/zinc/78/07/00/563780700.db2.gz USOCYDOOVIHZTN-UHFFFAOYSA-N 1 2 375.881 2.548 20 30 GFEDLO N#Cc1ccc(S(=O)(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)cc1 ZINC000442797026 563780704 /nfs/dbraw/zinc/78/07/04/563780704.db2.gz USOCYDOOVIHZTN-UHFFFAOYSA-N 1 2 375.881 2.548 20 30 GFEDLO C[C@H](C#N)S(=O)(=O)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000416368615 563818426 /nfs/dbraw/zinc/81/84/26/563818426.db2.gz GXPIBVQUUOMIAG-RHSMWYFYSA-N 1 2 375.519 2.679 20 30 GFEDLO C[C@H](C#N)S(=O)(=O)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000416368615 563818429 /nfs/dbraw/zinc/81/84/29/563818429.db2.gz GXPIBVQUUOMIAG-RHSMWYFYSA-N 1 2 375.519 2.679 20 30 GFEDLO N#Cc1ccc(Br)cc1S(=O)(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000416461577 563832178 /nfs/dbraw/zinc/83/21/78/563832178.db2.gz YGSPAFCVUBZPFY-LBPRGKRZSA-N 1 2 381.255 2.570 20 30 GFEDLO CC[C@H]1CN(C(=O)c2ccc(Br)cc2C#N)C[C@@H]1[NH+]1CCOCC1 ZINC000450034510 564214654 /nfs/dbraw/zinc/21/46/54/564214654.db2.gz LDYSBVKVGAMLCH-GUYCJALGSA-N 1 2 392.297 2.504 20 30 GFEDLO N#Cc1ccc(OCC(=O)NC[C@@H]2CCCn3cc[nH+]c32)cc1Br ZINC000450185382 564220932 /nfs/dbraw/zinc/22/09/32/564220932.db2.gz RXADVFMPOIVVBA-ZDUSSCGKSA-N 1 2 389.253 2.590 20 30 GFEDLO C[C@H](CCC#N)[NH+]1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000472763323 564232845 /nfs/dbraw/zinc/23/28/45/564232845.db2.gz AFWWQSJAHSBPIE-GFCCVEGCSA-N 1 2 376.309 2.992 20 30 GFEDLO CC[NH+](CC)[C@@H](CNS(=O)(=O)N(C)[C@H](C)CC#N)c1ccccc1Cl ZINC000509428416 564298327 /nfs/dbraw/zinc/29/83/27/564298327.db2.gz DBHBIKOBGNAPPY-PBHICJAKSA-N 1 2 386.949 2.791 20 30 GFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CSCc1ccc(Br)cc1F ZINC000566564655 564332246 /nfs/dbraw/zinc/33/22/46/564332246.db2.gz SJICTDGVESETOH-HNNXBMFYSA-N 1 2 388.306 2.781 20 30 GFEDLO CC[C@H](C)[NH+]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)CC1 ZINC000451968949 564373855 /nfs/dbraw/zinc/37/38/55/564373855.db2.gz JRSVYKVZEFJFTK-LBPRGKRZSA-N 1 2 375.416 2.682 20 30 GFEDLO N#Cc1c[nH]c(C(=O)N(CCn2cc[nH+]c2)Cc2ccc(Br)o2)c1 ZINC000513536569 564432227 /nfs/dbraw/zinc/43/22/27/564432227.db2.gz LODFFDRAKMWVDJ-UHFFFAOYSA-N 1 2 388.225 2.781 20 30 GFEDLO C=CCCC[C@H](C)NC(=O)C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000487806263 564696318 /nfs/dbraw/zinc/69/63/18/564696318.db2.gz WUKYPVVEGVMBQQ-LBPRGKRZSA-N 1 2 393.285 2.574 20 30 GFEDLO C=C[C@@H]1OCC[C@H]1NC(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000576236248 564709064 /nfs/dbraw/zinc/70/90/64/564709064.db2.gz PXPOIMXWLGLEGL-KGLIPLIRSA-N 1 2 379.258 2.548 20 30 GFEDLO Cc1cc(Br)cn2cc(CNC(=O)N[C@@H]3CCC[C@@H]3C#N)[nH+]c12 ZINC000461936168 564809320 /nfs/dbraw/zinc/80/93/20/564809320.db2.gz MJIBZZUKSZSHDS-BXUZGUMPSA-N 1 2 376.258 2.897 20 30 GFEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@H](c3ccc(Cl)cc3)C2)nc1 ZINC000582086193 564830481 /nfs/dbraw/zinc/83/04/81/564830481.db2.gz MNZGFPDLSFXHSI-INIZCTEOSA-N 1 2 375.881 2.870 20 30 GFEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@H](c3ccc(Cl)cc3)C2)nc1 ZINC000582086193 564830485 /nfs/dbraw/zinc/83/04/85/564830485.db2.gz MNZGFPDLSFXHSI-INIZCTEOSA-N 1 2 375.881 2.870 20 30 GFEDLO O=C(CCOCC(F)(F)C(F)(F)F)NCc1[nH+]ccn1CC(F)(F)F ZINC000497101961 564862492 /nfs/dbraw/zinc/86/24/92/564862492.db2.gz ZUNFGQWWFVVMHO-UHFFFAOYSA-N 1 2 383.239 2.666 20 30 GFEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(=O)Nc2ccc(Br)c(C)c2)C1=O ZINC000499948461 564940845 /nfs/dbraw/zinc/94/08/45/564940845.db2.gz BDNASAQDEVIQHF-CJNGLKHVSA-N 1 2 394.313 2.803 20 30 GFEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)C(=O)Nc2ccc(Br)c(C)c2)C1=O ZINC000499948461 564940847 /nfs/dbraw/zinc/94/08/47/564940847.db2.gz BDNASAQDEVIQHF-CJNGLKHVSA-N 1 2 394.313 2.803 20 30 GFEDLO C=C[C@](C)(O)CC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000561044345 564981696 /nfs/dbraw/zinc/98/16/96/564981696.db2.gz CJTHWNCVIFGWFX-INIZCTEOSA-N 1 2 382.258 2.595 20 30 GFEDLO C=CCCn1cc(C[S@](=O)Cc2cn3cc(Br)ccc3[nH+]2)nn1 ZINC000593935900 565368356 /nfs/dbraw/zinc/36/83/56/565368356.db2.gz KVPGYILWRHYIQP-HSZRJFAPSA-N 1 2 394.298 2.713 20 30 GFEDLO COCC[N@@H+](Cc1ccc(C#N)cc1Br)C[C@@H](O)C(F)(F)F ZINC000594017315 565371701 /nfs/dbraw/zinc/37/17/01/565371701.db2.gz CUNXVMSSVKLRJZ-CYBMUJFWSA-N 1 2 381.192 2.692 20 30 GFEDLO COCC[N@H+](Cc1ccc(C#N)cc1Br)C[C@@H](O)C(F)(F)F ZINC000594017315 565371705 /nfs/dbraw/zinc/37/17/05/565371705.db2.gz CUNXVMSSVKLRJZ-CYBMUJFWSA-N 1 2 381.192 2.692 20 30 GFEDLO N#Cc1cnc(C(=O)N(CCn2cc[nH+]c2)C2CCSCC2)c(Cl)c1 ZINC000597639476 565568541 /nfs/dbraw/zinc/56/85/41/565568541.db2.gz ACLZSMJOFDKHPQ-UHFFFAOYSA-N 1 2 375.885 2.841 20 30 GFEDLO COc1cc(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c(Br)cn1 ZINC000598618779 565630275 /nfs/dbraw/zinc/63/02/75/565630275.db2.gz QHDSAPCBFBAKAY-CQSZACIVSA-N 1 2 389.253 2.773 20 30 GFEDLO COc1cc(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c(Br)cn1 ZINC000598618779 565630278 /nfs/dbraw/zinc/63/02/78/565630278.db2.gz QHDSAPCBFBAKAY-CQSZACIVSA-N 1 2 389.253 2.773 20 30 GFEDLO C=CCCOCC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000672113239 565795050 /nfs/dbraw/zinc/79/50/50/565795050.db2.gz ULPMMHLSZODMOZ-UHFFFAOYSA-N 1 2 382.258 2.860 20 30 GFEDLO N#Cc1ccc(Cn2cc(C[NH+]3CCSCC3)nn2)c(Br)c1 ZINC000603244694 565892427 /nfs/dbraw/zinc/89/24/27/565892427.db2.gz UXYKYXZLWMNJAT-UHFFFAOYSA-N 1 2 378.299 2.509 20 30 GFEDLO NC(=[NH+]OCc1ccc(-c2nn[nH]n2)cc1Br)c1ccc(F)cc1 ZINC000826388220 609326774 /nfs/dbraw/zinc/32/67/74/609326774.db2.gz NNFBXYRRYJXQAB-UHFFFAOYSA-N 1 2 391.204 2.605 20 30 GFEDLO N#Cc1c(Cl)nsc1N(CCC[NH+]1CCOCC1)Cc1ccncc1 ZINC000271426218 655081058 /nfs/dbraw/zinc/08/10/58/655081058.db2.gz VWNXDFAPCATOBW-UHFFFAOYSA-N 1 2 377.901 2.792 20 30 GFEDLO C#CCN(CC#CC)C(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000758694049 655939245 /nfs/dbraw/zinc/93/92/45/655939245.db2.gz ANMFUJZTVMDNSY-UHFFFAOYSA-N 1 2 387.281 2.616 20 30 GFEDLO NC(=[NH+]OCCCS(=O)(=O)c1ccccc1)c1ccc(Br)cc1 ZINC000782948616 657196019 /nfs/dbraw/zinc/19/60/19/657196019.db2.gz MNDFTJSPBPPGAX-UHFFFAOYSA-N 1 2 397.294 2.950 20 30 GFEDLO Cc1ccc(CNC(=O)CO[NH+]=C(N)c2ccc(Br)cc2)cc1 ZINC000782947600 657196102 /nfs/dbraw/zinc/19/61/02/657196102.db2.gz CAXOITIMAYAIIJ-UHFFFAOYSA-N 1 2 376.254 2.711 20 30 GFEDLO COc1cc(C)nc(N=NCc2c[nH+]c3c(C)cc(Br)cn23)n1 ZINC000783848755 657265025 /nfs/dbraw/zinc/26/50/25/657265025.db2.gz KBFUDGACDMUZPR-UHFFFAOYSA-N 1 2 375.230 2.958 20 30 GFEDLO COC(=O)c1c2cnn(C[NH+]3CCC(C#N)CC3)c2ccc1Br ZINC000790440738 657978109 /nfs/dbraw/zinc/97/81/09/657978109.db2.gz XFWXNBKYAUDNAG-UHFFFAOYSA-N 1 2 377.242 2.778 20 30 GFEDLO CN(C)S(=O)(=O)c1ccc(NN=Cc2cc(-n3cc[nH+]c3)cs2)cc1 ZINC000812228682 660021390 /nfs/dbraw/zinc/02/13/90/660021390.db2.gz BMXDBNGJKMSLQT-UHFFFAOYSA-N 1 2 375.479 2.630 20 30 GFEDLO C#CCNC(=O)CC[N@H+]1CCCC[C@@H]1C(=O)Nc1cc(Cl)ccc1Cl ZINC000815068286 660108908 /nfs/dbraw/zinc/10/89/08/660108908.db2.gz KEXOPGKJIGMEGV-MRXNPFEDSA-N 1 2 382.291 2.926 20 30 GFEDLO C#CCNC(=O)CC[N@@H+]1CCCC[C@@H]1C(=O)Nc1cc(Cl)ccc1Cl ZINC000815068286 660108911 /nfs/dbraw/zinc/10/89/11/660108911.db2.gz KEXOPGKJIGMEGV-MRXNPFEDSA-N 1 2 382.291 2.926 20 30 GFEDLO C[C@@H]([NH2+]Cc1c(I)cnn1C)c1ccc(C#N)c(F)c1 ZINC000866630487 662485209 /nfs/dbraw/zinc/48/52/09/662485209.db2.gz QOEHIGKLAXIJIU-SECBINFHSA-N 1 2 384.196 2.886 20 30 GFEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC[C@](CO)(C(F)(F)F)C1 ZINC000886802911 663119338 /nfs/dbraw/zinc/11/93/38/663119338.db2.gz AXPHFTUXHRXJCI-BONVTDFDSA-N 1 2 375.778 2.785 20 30 GFEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@](CO)(C(F)(F)F)C1 ZINC000886802911 663119340 /nfs/dbraw/zinc/11/93/40/663119340.db2.gz AXPHFTUXHRXJCI-BONVTDFDSA-N 1 2 375.778 2.785 20 30 GFEDLO N#Cc1cc(S(=O)(=O)N2CCC[C@H](n3cc[nH+]c3)C2)ccc1Br ZINC000906912621 663981440 /nfs/dbraw/zinc/98/14/40/663981440.db2.gz OXOKTJAGGYWYMV-ZDUSSCGKSA-N 1 2 395.282 2.543 20 30 GFEDLO C[C@H](CNS(=O)(=O)Cc1csc(C#N)c1)[N@@H+]1CCc2sccc2C1 ZINC000913906363 664364865 /nfs/dbraw/zinc/36/48/65/664364865.db2.gz OOPNLQYDCLTGQL-GFCCVEGCSA-N 1 2 381.548 2.547 20 30 GFEDLO C[C@H](CNS(=O)(=O)Cc1csc(C#N)c1)[N@H+]1CCc2sccc2C1 ZINC000913906363 664364867 /nfs/dbraw/zinc/36/48/67/664364867.db2.gz OOPNLQYDCLTGQL-GFCCVEGCSA-N 1 2 381.548 2.547 20 30 GFEDLO N#Cc1cc(CS(=O)(=O)NCc2cc[nH+]c(N3CCCCC3)c2)cs1 ZINC000913937485 664367280 /nfs/dbraw/zinc/36/72/80/664367280.db2.gz SXSURTDTSYZKJE-UHFFFAOYSA-N 1 2 376.507 2.625 20 30 GFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCc3cnc(Cl)s3)CC2)cc1 ZINC000923696134 664636235 /nfs/dbraw/zinc/63/62/35/664636235.db2.gz VEEGBJSDLPCTHW-UHFFFAOYSA-N 1 2 375.885 2.696 20 30 GFEDLO C[C@H](C[NH+]1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)S(C)(=O)=O ZINC000932942217 664843566 /nfs/dbraw/zinc/84/35/66/664843566.db2.gz GECTXVBRFUONBT-BWZBUEFSSA-N 1 2 389.308 2.522 20 30 GFEDLO C=CCNC(=O)CSc1nnc([C@H](C)[NH+](C)C)n1-c1ccc(Cl)cc1 ZINC000016927338 551112381 /nfs/dbraw/zinc/11/23/81/551112381.db2.gz RYMKKSVMLRIQBF-LBPRGKRZSA-N 1 2 379.917 2.938 20 30 GFEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1ccc(C#N)cc1Br ZINC000181145609 552248528 /nfs/dbraw/zinc/24/85/28/552248528.db2.gz OZXCLLJNLMAVCA-ZDUSSCGKSA-N 1 2 397.280 2.693 20 30 GFEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1ccc(C#N)cc1Br ZINC000181145609 552248530 /nfs/dbraw/zinc/24/85/30/552248530.db2.gz OZXCLLJNLMAVCA-ZDUSSCGKSA-N 1 2 397.280 2.693 20 30 GFEDLO C=C(C)CS(=O)(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000189729297 552478988 /nfs/dbraw/zinc/47/89/88/552478988.db2.gz IJEBJNREESJVPD-UHFFFAOYSA-N 1 2 387.343 2.909 20 30 GFEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Nc1cc(Cl)c(N)c(Cl)c1 ZINC000192311116 552559456 /nfs/dbraw/zinc/55/94/56/552559456.db2.gz JOQWDUHFQPJMGG-UHFFFAOYSA-N 1 2 386.283 2.655 20 30 GFEDLO C=CCn1cc(C[NH2+]Cc2cc(Br)c(OC)c(OCC)c2)nn1 ZINC000424168318 563372274 /nfs/dbraw/zinc/37/22/74/563372274.db2.gz FHVAKLXLYVABGY-UHFFFAOYSA-N 1 2 381.274 2.924 20 30 GFEDLO C=CCn1cc(C[NH2+]Cc2cc(Br)c3c(c2)OCCCO3)nn1 ZINC000424166302 563372345 /nfs/dbraw/zinc/37/23/45/563372345.db2.gz AFTYTDQIMGERIX-UHFFFAOYSA-N 1 2 379.258 2.678 20 30 GFEDLO N#Cc1c(Br)cccc1S(=O)(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000376316179 563437204 /nfs/dbraw/zinc/43/72/04/563437204.db2.gz JPMHMGQJURXCDE-GFCCVEGCSA-N 1 2 381.255 2.570 20 30 GFEDLO Cc1sc(NC(=O)C[N@@H+]2CCC[C@](O)(C(F)(F)F)CC2)c(C#N)c1C ZINC000327819712 563459811 /nfs/dbraw/zinc/45/98/11/563459811.db2.gz MKIZIQNIANABKY-OAHLLOKOSA-N 1 2 375.416 2.954 20 30 GFEDLO Cc1sc(NC(=O)C[N@H+]2CCC[C@](O)(C(F)(F)F)CC2)c(C#N)c1C ZINC000327819712 563459814 /nfs/dbraw/zinc/45/98/14/563459814.db2.gz MKIZIQNIANABKY-OAHLLOKOSA-N 1 2 375.416 2.954 20 30 GFEDLO Cc1[nH]c2ccc(Br)cc2c1CC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000329378230 563478888 /nfs/dbraw/zinc/47/88/88/563478888.db2.gz OXHLYHIPGTUDHJ-AWEZNQCLSA-N 1 2 393.329 2.984 20 30 GFEDLO Cc1[nH]c2ccc(Br)cc2c1CC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000329378230 563478890 /nfs/dbraw/zinc/47/88/90/563478890.db2.gz OXHLYHIPGTUDHJ-AWEZNQCLSA-N 1 2 393.329 2.984 20 30 GFEDLO COc1cc(Br)cc(NC(=O)NCC(C)(C)[NH+]2CCOCC2)c1 ZINC000330568983 563511083 /nfs/dbraw/zinc/51/10/83/563511083.db2.gz NPSRAEQRXQSNPB-UHFFFAOYSA-N 1 2 386.290 2.894 20 30 GFEDLO CC[N@@H+]1C[C@H](C)N(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)C[C@H]1C ZINC000330572792 563512060 /nfs/dbraw/zinc/51/20/60/563512060.db2.gz YZHKWNQLZSDWFB-NEPJUHHUSA-N 1 2 375.416 2.680 20 30 GFEDLO CC[N@H+]1C[C@H](C)N(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)C[C@H]1C ZINC000330572792 563512064 /nfs/dbraw/zinc/51/20/64/563512064.db2.gz YZHKWNQLZSDWFB-NEPJUHHUSA-N 1 2 375.416 2.680 20 30 GFEDLO Cc1sc(NC(=O)C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)c(C#N)c1C ZINC000286369669 563557743 /nfs/dbraw/zinc/55/77/43/563557743.db2.gz GFBLZWFRTDAHGD-DGCLKSJQSA-N 1 2 375.416 2.668 20 30 GFEDLO Cc1sc(NC(=O)C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)c(C#N)c1C ZINC000286369669 563557745 /nfs/dbraw/zinc/55/77/45/563557745.db2.gz GFBLZWFRTDAHGD-DGCLKSJQSA-N 1 2 375.416 2.668 20 30 GFEDLO CN(C(=O)c1cccc(C#N)c1Br)C(C)(C)C[NH+]1CCOCC1 ZINC000414041014 563715879 /nfs/dbraw/zinc/71/58/79/563715879.db2.gz LSBNXRIFLTUDNG-UHFFFAOYSA-N 1 2 380.286 2.504 20 30 GFEDLO N#Cc1cccc(C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)c1Br ZINC000448948728 563903872 /nfs/dbraw/zinc/90/38/72/563903872.db2.gz FPUGDQALQIUBGS-OAHLLOKOSA-N 1 2 392.297 2.648 20 30 GFEDLO N#Cc1c(Br)cccc1OCC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000449817993 564203675 /nfs/dbraw/zinc/20/36/75/564203675.db2.gz CGQVKFGPWYOHGJ-UHFFFAOYSA-N 1 2 389.253 2.760 20 30 GFEDLO Cc1nn(C)c(N2CC[NH+](Cc3ccc(F)cc3Br)CC2)c1C#N ZINC000471809887 564205057 /nfs/dbraw/zinc/20/50/57/564205057.db2.gz MELDXWRRHVKRQA-UHFFFAOYSA-N 1 2 392.276 2.824 20 30 GFEDLO CC(C)Cn1cc[nH+]c1CNC(=O)COc1ccc(C#N)c(Br)c1 ZINC000449934269 564210001 /nfs/dbraw/zinc/21/00/01/564210001.db2.gz IQLJBXAXMPNJKM-UHFFFAOYSA-N 1 2 391.269 2.868 20 30 GFEDLO C=C(C)COCCNC(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000546121205 564446005 /nfs/dbraw/zinc/44/60/05/564446005.db2.gz QRYXEGXMNWTZJI-UHFFFAOYSA-N 1 2 381.274 2.797 20 30 GFEDLO C=CC[N@@H+](CCN1C(=O)N[C@@H](C)C1=O)Cc1cc(Br)ccc1F ZINC000459329211 564739827 /nfs/dbraw/zinc/73/98/27/564739827.db2.gz RLOSGXKSJWOZAS-NSHDSACASA-N 1 2 384.249 2.517 20 30 GFEDLO C=CC[N@H+](CCN1C(=O)N[C@@H](C)C1=O)Cc1cc(Br)ccc1F ZINC000459329211 564739830 /nfs/dbraw/zinc/73/98/30/564739830.db2.gz RLOSGXKSJWOZAS-NSHDSACASA-N 1 2 384.249 2.517 20 30 GFEDLO C=CCOc1c(Br)cc(C[NH+]2CC(CC(N)=O)C2)cc1OCC ZINC000459624253 564753784 /nfs/dbraw/zinc/75/37/84/564753784.db2.gz SMWOWXMOIHZQGN-UHFFFAOYSA-N 1 2 383.286 2.720 20 30 GFEDLO N#Cc1ccc(Br)c(C[N@@H+]2CCC[C@@H]2C(=O)N2CCSCC2)c1 ZINC000492746533 564803853 /nfs/dbraw/zinc/80/38/53/564803853.db2.gz JWIFPWQAESQEJL-MRXNPFEDSA-N 1 2 394.338 2.861 20 30 GFEDLO N#Cc1ccc(Br)c(C[N@H+]2CCC[C@@H]2C(=O)N2CCSCC2)c1 ZINC000492746533 564803854 /nfs/dbraw/zinc/80/38/54/564803854.db2.gz JWIFPWQAESQEJL-MRXNPFEDSA-N 1 2 394.338 2.861 20 30 GFEDLO Cn1cc[nH+]c1[C@H](NS(=O)(=O)c1ccc(C#N)o1)c1ccc(Cl)cc1 ZINC000557790656 564877027 /nfs/dbraw/zinc/87/70/27/564877027.db2.gz LWCJFKWUHNOYJD-OAHLLOKOSA-N 1 2 376.825 2.606 20 30 GFEDLO C=CCCS(=O)(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(Br)cc1 ZINC000660015272 565239505 /nfs/dbraw/zinc/23/95/05/565239505.db2.gz SGXXMOPFDBPBCR-CQSZACIVSA-N 1 2 384.299 2.768 20 30 GFEDLO C=CCOc1c(Br)cc(C[N@@H+]2CC[C@](O)(CC#N)C2)cc1OC ZINC000592522819 565281040 /nfs/dbraw/zinc/28/10/40/565281040.db2.gz GKYCDOKQFXDFKI-QGZVFWFLSA-N 1 2 381.270 2.873 20 30 GFEDLO C=CCOc1c(Br)cc(C[N@H+]2CC[C@](O)(CC#N)C2)cc1OC ZINC000592522819 565281042 /nfs/dbraw/zinc/28/10/42/565281042.db2.gz GKYCDOKQFXDFKI-QGZVFWFLSA-N 1 2 381.270 2.873 20 30 GFEDLO C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1S(=O)(=O)c1ccsc1C#N ZINC000593568796 565342424 /nfs/dbraw/zinc/34/24/24/565342424.db2.gz JCYRWPZGXCCQEE-GJZGRUSLSA-N 1 2 375.519 2.903 20 30 GFEDLO C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1S(=O)(=O)c1ccsc1C#N ZINC000593568796 565342428 /nfs/dbraw/zinc/34/24/28/565342428.db2.gz JCYRWPZGXCCQEE-GJZGRUSLSA-N 1 2 375.519 2.903 20 30 GFEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ncc(Br)cc1Cl ZINC000595333230 565465219 /nfs/dbraw/zinc/46/52/19/565465219.db2.gz NMOHOWQSNIELAW-UHFFFAOYSA-N 1 2 387.709 2.545 20 30 GFEDLO Cc1cc(Br)cc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)c1C ZINC000597020107 565547139 /nfs/dbraw/zinc/54/71/39/565547139.db2.gz FJYZYWFKGRLOTQ-UHFFFAOYSA-N 1 2 394.313 2.754 20 30 GFEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3c(F)cncc3Br)C2)nc1 ZINC000597130720 565552478 /nfs/dbraw/zinc/55/24/78/565552478.db2.gz VMQWYUXYUCOQLA-LBPRGKRZSA-N 1 2 377.217 2.903 20 30 GFEDLO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3c(F)cncc3Br)C2)nc1 ZINC000597130720 565552481 /nfs/dbraw/zinc/55/24/81/565552481.db2.gz VMQWYUXYUCOQLA-LBPRGKRZSA-N 1 2 377.217 2.903 20 30 GFEDLO COC(=O)[C@@H](c1cccc(Br)c1)[N@H+](C)C[C@H](O)CC(C)(C)C#N ZINC000598602018 565628712 /nfs/dbraw/zinc/62/87/12/565628712.db2.gz ZCQGQNQFHRIFQF-HUUCEWRRSA-N 1 2 383.286 2.896 20 30 GFEDLO COC(=O)[C@@H](c1cccc(Br)c1)[N@@H+](C)C[C@H](O)CC(C)(C)C#N ZINC000598602018 565628717 /nfs/dbraw/zinc/62/87/17/565628717.db2.gz ZCQGQNQFHRIFQF-HUUCEWRRSA-N 1 2 383.286 2.896 20 30 GFEDLO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(C#N)cc1F)c1ccccc1Cl ZINC000610081442 566064561 /nfs/dbraw/zinc/06/45/61/566064561.db2.gz TUDSBJREFDDVAE-INIZCTEOSA-N 1 2 381.860 2.932 20 30 GFEDLO C=CC[N@H+](CC(=O)Nc1oc(C)c(C)c1-c1nn[nH]n1)Cc1ccc(OC)cc1 ZINC000819739964 607363830 /nfs/dbraw/zinc/36/38/30/607363830.db2.gz LXBWGHBEXLNJKX-UHFFFAOYSA-N 1 2 396.451 2.712 20 30 GFEDLO C=CC[N@@H+](CC(=O)Nc1oc(C)c(C)c1-c1nn[nH]n1)Cc1ccc(OC)cc1 ZINC000819739964 607363832 /nfs/dbraw/zinc/36/38/32/607363832.db2.gz LXBWGHBEXLNJKX-UHFFFAOYSA-N 1 2 396.451 2.712 20 30 GFEDLO C[C@H](NC(=O)CO[NH+]=C(N)c1ccccc1)c1ccc(Br)cc1 ZINC000014234674 654505294 /nfs/dbraw/zinc/50/52/94/654505294.db2.gz HZLZNQHLKFMXMC-LBPRGKRZSA-N 1 2 376.254 2.963 20 30 GFEDLO Clc1ccc(-n2cc(C=NNC3=[NH+][C@@H]4CCCC[C@@H]4N3)nn2)c(Cl)c1 ZINC000755815710 655889452 /nfs/dbraw/zinc/88/94/52/655889452.db2.gz VVACXDLXBCBTDU-OKILXGFUSA-N 1 2 378.267 2.768 20 30 GFEDLO C=C(Br)C[N@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000763144362 656072668 /nfs/dbraw/zinc/07/26/68/656072668.db2.gz UWRGTSBNUHPMJH-UHFFFAOYSA-N 1 2 380.246 2.892 20 30 GFEDLO C=C(Br)C[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000763144362 656072671 /nfs/dbraw/zinc/07/26/71/656072671.db2.gz UWRGTSBNUHPMJH-UHFFFAOYSA-N 1 2 380.246 2.892 20 30 GFEDLO O=S(=O)(Nc1nccs1)c1ccc(N=NC2CC[N@@H+]3CCC[C@@H]23)cc1 ZINC000765582299 656145651 /nfs/dbraw/zinc/14/56/51/656145651.db2.gz WHGWLRYVWKBHFK-HNNXBMFYSA-N 1 2 377.495 2.580 20 30 GFEDLO O=S(=O)(Nc1nccs1)c1ccc(N=NC2CC[N@H+]3CCC[C@@H]23)cc1 ZINC000765582299 656145652 /nfs/dbraw/zinc/14/56/52/656145652.db2.gz WHGWLRYVWKBHFK-HNNXBMFYSA-N 1 2 377.495 2.580 20 30 GFEDLO COc1ccc(C[NH2+]Cc2ncc(I)s2)cc1C#N ZINC000796337343 658913079 /nfs/dbraw/zinc/91/30/79/658913079.db2.gz BEVRQGOLTZNMEK-UHFFFAOYSA-N 1 2 385.230 2.918 20 30 GFEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1c(Cl)nc2cc(Cl)ccn21 ZINC000809539617 659931437 /nfs/dbraw/zinc/93/14/37/659931437.db2.gz WKYPQTOOEQNOIE-UHFFFAOYSA-N 1 2 382.295 2.689 20 30 GFEDLO C[C@@H]([NH2+]Cc1c(I)cnn1C)c1ccc(C#N)cc1F ZINC000866629887 662485198 /nfs/dbraw/zinc/48/51/98/662485198.db2.gz MXEFRFFLLAQDIV-SECBINFHSA-N 1 2 384.196 2.886 20 30 GFEDLO Cn1cc(C[N@@H+]2CCC[C@H](Nc3ccc(C#N)cn3)C2)c(Br)n1 ZINC000896650657 663569658 /nfs/dbraw/zinc/56/96/58/663569658.db2.gz KFVYLPSJXCHHJV-AWEZNQCLSA-N 1 2 375.274 2.526 20 30 GFEDLO Cn1cc(C[N@H+]2CCC[C@H](Nc3ccc(C#N)cn3)C2)c(Br)n1 ZINC000896650657 663569661 /nfs/dbraw/zinc/56/96/61/663569661.db2.gz KFVYLPSJXCHHJV-AWEZNQCLSA-N 1 2 375.274 2.526 20 30 GFEDLO CS(=O)(=O)CCC[NH+]1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932943458 664843808 /nfs/dbraw/zinc/84/38/08/664843808.db2.gz UQMUNQSSFWMWLG-HTQZYQBOSA-N 1 2 389.308 2.524 20 30 GFEDLO C[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000121748530 551241952 /nfs/dbraw/zinc/24/19/52/551241952.db2.gz VKOMVNCIFUOXKC-ROUUACIJSA-N 1 2 375.881 2.935 20 30 GFEDLO C[N@H+]1CC[C@H](NS(=O)(=O)c2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000121748530 551241953 /nfs/dbraw/zinc/24/19/53/551241953.db2.gz VKOMVNCIFUOXKC-ROUUACIJSA-N 1 2 375.881 2.935 20 30 GFEDLO N#CC1(CS(=O)(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)CC1 ZINC000165238972 551628903 /nfs/dbraw/zinc/62/89/03/551628903.db2.gz FJIZRFKLDPLEHB-OAHLLOKOSA-N 1 2 385.892 2.667 20 30 GFEDLO N#CC1(CS(=O)(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)CC1 ZINC000165238972 551628904 /nfs/dbraw/zinc/62/89/04/551628904.db2.gz FJIZRFKLDPLEHB-OAHLLOKOSA-N 1 2 385.892 2.667 20 30 GFEDLO N#Cc1c(Cl)cccc1S(=O)(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186113650 552379308 /nfs/dbraw/zinc/37/93/08/552379308.db2.gz AVYHTDPYPNLFFS-UHFFFAOYSA-N 1 2 376.869 2.508 20 30 GFEDLO CC[N@@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)C[C@H](O)C(F)(F)F ZINC000189519674 552473667 /nfs/dbraw/zinc/47/36/67/552473667.db2.gz AVZONQVAEQCVIR-AWEZNQCLSA-N 1 2 377.794 2.832 20 30 GFEDLO CC[N@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)C[C@H](O)C(F)(F)F ZINC000189519674 552473670 /nfs/dbraw/zinc/47/36/70/552473670.db2.gz AVZONQVAEQCVIR-AWEZNQCLSA-N 1 2 377.794 2.832 20 30 GFEDLO C[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(C#N)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000245635266 553094220 /nfs/dbraw/zinc/09/42/20/553094220.db2.gz VKOMVNCIFUOXKC-ZWKOTPCHSA-N 1 2 375.881 2.935 20 30 GFEDLO C[N@H+]1CC[C@H](NS(=O)(=O)c2ccc(C#N)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000245635266 553094222 /nfs/dbraw/zinc/09/42/22/553094222.db2.gz VKOMVNCIFUOXKC-ZWKOTPCHSA-N 1 2 375.881 2.935 20 30 GFEDLO Cc1cc(S(=O)(=O)N2CC[NH2+]C[C@H]2c2ccccc2Cl)ccc1C#N ZINC000262351338 553169725 /nfs/dbraw/zinc/16/97/25/553169725.db2.gz UOMMVIJPMWLRQH-SFHVURJKSA-N 1 2 375.881 2.855 20 30 GFEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cnc3c(C)cc(Br)cn23)C1=O ZINC000281388520 563375753 /nfs/dbraw/zinc/37/57/53/563375753.db2.gz WSFNRJJXTPWQMN-HNNXBMFYSA-N 1 2 377.286 2.624 20 30 GFEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cnc3c(C)cc(Br)cn23)C1=O ZINC000281388520 563375757 /nfs/dbraw/zinc/37/57/57/563375757.db2.gz WSFNRJJXTPWQMN-HNNXBMFYSA-N 1 2 377.286 2.624 20 30 GFEDLO C=CCN1CC[C@H](N(C)Cc2c[nH+]c3c(C)cc(Br)cn23)C1=O ZINC000281388520 563375758 /nfs/dbraw/zinc/37/57/58/563375758.db2.gz WSFNRJJXTPWQMN-HNNXBMFYSA-N 1 2 377.286 2.624 20 30 GFEDLO CC[N@@H+]1C[C@H](C)N(S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)C[C@@H]1C ZINC000330536059 563509584 /nfs/dbraw/zinc/50/95/84/563509584.db2.gz FCPIDNWJJMEGDD-RYUDHWBXSA-N 1 2 375.416 2.680 20 30 GFEDLO CC[N@H+]1C[C@H](C)N(S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)C[C@@H]1C ZINC000330536059 563509585 /nfs/dbraw/zinc/50/95/85/563509585.db2.gz FCPIDNWJJMEGDD-RYUDHWBXSA-N 1 2 375.416 2.680 20 30 GFEDLO CC[C@@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C[C@@H](C)[S@@]1=O ZINC000285864160 563540335 /nfs/dbraw/zinc/54/03/35/563540335.db2.gz IQQRWXCMWQXIQK-DSGZJRDPSA-N 1 2 379.551 2.668 20 30 GFEDLO CC[C@@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C[C@@H](C)[S@@]1=O ZINC000285864160 563540340 /nfs/dbraw/zinc/54/03/40/563540340.db2.gz IQQRWXCMWQXIQK-DSGZJRDPSA-N 1 2 379.551 2.668 20 30 GFEDLO C[C@@H]([NH2+][C@@H]1CCN(c2ccc(C#N)cc2)C1=O)c1ncc(Br)cn1 ZINC000431107845 563553371 /nfs/dbraw/zinc/55/33/71/563553371.db2.gz SKFZLESDEQKJJN-IAQYHMDHSA-N 1 2 386.253 2.567 20 30 GFEDLO C[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc(C#N)o2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000331607485 563555319 /nfs/dbraw/zinc/55/53/19/563555319.db2.gz VXZDWVPXKBDVHE-ZBFHGGJFSA-N 1 2 383.832 2.667 20 30 GFEDLO C[N@H+]1CC[C@@H](NS(=O)(=O)c2ccc(C#N)o2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000331607485 563555322 /nfs/dbraw/zinc/55/53/22/563555322.db2.gz VXZDWVPXKBDVHE-ZBFHGGJFSA-N 1 2 383.832 2.667 20 30 GFEDLO COC(=O)C[C@@H]1CSCC[N@@H+]1[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000438591616 563707394 /nfs/dbraw/zinc/70/73/94/563707394.db2.gz LWRAZQVPYNYUKM-BXUZGUMPSA-N 1 2 381.885 2.519 20 30 GFEDLO COC(=O)C[C@@H]1CSCC[N@H+]1[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000438591616 563707395 /nfs/dbraw/zinc/70/73/95/563707395.db2.gz LWRAZQVPYNYUKM-BXUZGUMPSA-N 1 2 381.885 2.519 20 30 GFEDLO C[N@H+](CCC#N)C[C@H](O)CSc1n[nH]c(-c2ccccc2Br)n1 ZINC000414094186 563718855 /nfs/dbraw/zinc/71/88/55/563718855.db2.gz HXNKZTAGDFMASG-NSHDSACASA-N 1 2 396.314 2.533 20 30 GFEDLO C[N@@H+](CCC#N)C[C@H](O)CSc1n[nH]c(-c2ccccc2Br)n1 ZINC000414094186 563718857 /nfs/dbraw/zinc/71/88/57/563718857.db2.gz HXNKZTAGDFMASG-NSHDSACASA-N 1 2 396.314 2.533 20 30 GFEDLO C[N@H+](CCC#N)C[C@@H](O)COc1ccc(Br)cc1Br ZINC000414122500 563720612 /nfs/dbraw/zinc/72/06/12/563720612.db2.gz BCQYYIQOZJBDEM-LLVKDONJSA-N 1 2 392.091 2.797 20 30 GFEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1ccc(Br)cc1Br ZINC000414122500 563720613 /nfs/dbraw/zinc/72/06/13/563720613.db2.gz BCQYYIQOZJBDEM-LLVKDONJSA-N 1 2 392.091 2.797 20 30 GFEDLO N#Cc1ccc(Br)cc1S(=O)(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000416461573 563832272 /nfs/dbraw/zinc/83/22/72/563832272.db2.gz YGSPAFCVUBZPFY-GFCCVEGCSA-N 1 2 381.255 2.570 20 30 GFEDLO CC(C)[C@@H](NC(=O)COc1ccc(C#N)c(Br)c1)c1[nH]cc[nH+]1 ZINC000451102721 564274761 /nfs/dbraw/zinc/27/47/61/564274761.db2.gz KFMFFTQFCUPQQM-OAHLLOKOSA-N 1 2 377.242 2.936 20 30 GFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000451905042 564364431 /nfs/dbraw/zinc/36/44/31/564364431.db2.gz STZOIXUDILWQCT-CABCVRRESA-N 1 2 394.269 2.859 20 30 GFEDLO N#Cc1ccc(CS(=O)(=O)NCc2cn3cc(Cl)ccc3[nH+]2)c(F)c1 ZINC000478182419 564396883 /nfs/dbraw/zinc/39/68/83/564396883.db2.gz VFPGICXFSUMLCZ-UHFFFAOYSA-N 1 2 378.816 2.618 20 30 GFEDLO Cc1sc2nc(C)nc(SCC(=O)N[C@](C)(C#N)C[NH+](C)C)c2c1C ZINC000567995103 564399366 /nfs/dbraw/zinc/39/93/66/564399366.db2.gz BCDOKBCOMLNHOH-QGZVFWFLSA-N 1 2 377.539 2.669 20 30 GFEDLO Cc1sc2nc(C)nc(SCC(=O)N[C@@](C)(C#N)C[NH+](C)C)c2c1C ZINC000567995102 564399872 /nfs/dbraw/zinc/39/98/72/564399872.db2.gz BCDOKBCOMLNHOH-KRWDZBQOSA-N 1 2 377.539 2.669 20 30 GFEDLO COCC[C@@H](Cc1cccc(Br)c1)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000568396498 564417160 /nfs/dbraw/zinc/41/71/60/564417160.db2.gz KGVHNGPJSIULFZ-YJBOKZPZSA-N 1 2 396.329 2.604 20 30 GFEDLO N#C[C@H](c1ccc(Br)cc1)N1CC[NH+](Cc2ncccc2O)CC1 ZINC000515068897 564467885 /nfs/dbraw/zinc/46/78/85/564467885.db2.gz OUSRYLLIBWBEQE-QGZVFWFLSA-N 1 2 387.281 2.932 20 30 GFEDLO C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000569814442 564479535 /nfs/dbraw/zinc/47/95/35/564479535.db2.gz FRLOOICBSMPKHI-MEBBXXQBSA-N 1 2 388.693 2.830 20 30 GFEDLO C[C@H]1C[C@H](NS(=O)(=O)c2cc(Br)ccc2C#N)c2[nH+]ccn21 ZINC000571057992 564534449 /nfs/dbraw/zinc/53/44/49/564534449.db2.gz UEURHSXEXYBZHU-CABZTGNLSA-N 1 2 381.255 2.502 20 30 GFEDLO N#Cc1csc(C[NH2+][C@H]2CCN(c3cccc(Br)c3)C2=O)n1 ZINC000572565618 564599653 /nfs/dbraw/zinc/59/96/53/564599653.db2.gz AANUXVKZVNGURB-ZDUSSCGKSA-N 1 2 377.267 2.672 20 30 GFEDLO C=CCCCCC[NH+]1CCN(S(=O)(=O)c2cc(C(=O)OC)cs2)CC1 ZINC000486702732 564663806 /nfs/dbraw/zinc/66/38/06/564663806.db2.gz QJBYEHXFXGDUAP-UHFFFAOYSA-N 1 2 386.539 2.587 20 30 GFEDLO N#CCCn1cc(C[NH2+]Cc2n[nH]cc2Br)c(-c2ccncc2)n1 ZINC000555792384 564805159 /nfs/dbraw/zinc/80/51/59/564805159.db2.gz YDBKFNXEICWIAZ-UHFFFAOYSA-N 1 2 386.257 2.634 20 30 GFEDLO C=CCN1CC[C@@H]([N@H+](C)CC[S@](=O)c2cc(Cl)ccc2Cl)C1=O ZINC000499995676 564942703 /nfs/dbraw/zinc/94/27/03/564942703.db2.gz KNVDIHQTIRHIKF-FATZIPQQSA-N 1 2 375.321 2.820 20 30 GFEDLO C=CCN1CC[C@@H]([N@@H+](C)CC[S@](=O)c2cc(Cl)ccc2Cl)C1=O ZINC000499995676 564942707 /nfs/dbraw/zinc/94/27/07/564942707.db2.gz KNVDIHQTIRHIKF-FATZIPQQSA-N 1 2 375.321 2.820 20 30 GFEDLO CS(=O)(=O)[C@H]1CCC[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000502811722 565006270 /nfs/dbraw/zinc/00/62/70/565006270.db2.gz YIKPAMHQIJNHDT-INIZCTEOSA-N 1 2 375.412 2.836 20 30 GFEDLO CS(=O)(=O)[C@H]1CCC[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000502811722 565006272 /nfs/dbraw/zinc/00/62/72/565006272.db2.gz YIKPAMHQIJNHDT-INIZCTEOSA-N 1 2 375.412 2.836 20 30 GFEDLO COC(=O)c1ccc(C[NH+]2CCN([C@H](C#N)C(C)C)CC2)c(Br)c1 ZINC000590709307 565198497 /nfs/dbraw/zinc/19/84/97/565198497.db2.gz HCKRNCTWXINGTG-QGZVFWFLSA-N 1 2 394.313 2.901 20 30 GFEDLO COc1cc(C[N@@H+]2CC[C@](O)(CC#N)C2)cc(Br)c1OC(F)F ZINC000592524116 565281046 /nfs/dbraw/zinc/28/10/46/565281046.db2.gz WAJQZMLFBOMREZ-OAHLLOKOSA-N 1 2 391.212 2.910 20 30 GFEDLO COc1cc(C[N@H+]2CC[C@](O)(CC#N)C2)cc(Br)c1OC(F)F ZINC000592524116 565281048 /nfs/dbraw/zinc/28/10/48/565281048.db2.gz WAJQZMLFBOMREZ-OAHLLOKOSA-N 1 2 391.212 2.910 20 30 GFEDLO N#Cc1ccc(S(=O)(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1Br ZINC000618991313 565323854 /nfs/dbraw/zinc/32/38/54/565323854.db2.gz LEXOOYFNIULDOV-CYBMUJFWSA-N 1 2 395.282 2.543 20 30 GFEDLO C#C[C@H](NC(=O)NCC[N@@H+]1CCOC(C)(C)C1)c1ccc(Br)cc1 ZINC000836349398 660901143 /nfs/dbraw/zinc/90/11/43/660901143.db2.gz IWYQOHZAIPTGIK-INIZCTEOSA-N 1 2 394.313 2.533 20 30 GFEDLO C#C[C@H](NC(=O)NCC[N@H+]1CCOC(C)(C)C1)c1ccc(Br)cc1 ZINC000836349398 660901146 /nfs/dbraw/zinc/90/11/46/660901146.db2.gz IWYQOHZAIPTGIK-INIZCTEOSA-N 1 2 394.313 2.533 20 30 GFEDLO C[C@]1(CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1(Cl)Cl ZINC000836585042 660917244 /nfs/dbraw/zinc/91/72/44/660917244.db2.gz LYHVJLYIARNQKK-QGZVFWFLSA-N 1 2 381.307 2.969 20 30 GFEDLO C[N@H+](CC(=O)Nc1ccc(C#N)cc1)[C@H](CO)c1cccc(Br)c1 ZINC000125825937 654803135 /nfs/dbraw/zinc/80/31/35/654803135.db2.gz RNNNTUDWPUTJOP-QGZVFWFLSA-N 1 2 388.265 2.925 20 30 GFEDLO C[N@@H+](CC(=O)Nc1ccc(C#N)cc1)[C@H](CO)c1cccc(Br)c1 ZINC000125825937 654803138 /nfs/dbraw/zinc/80/31/38/654803138.db2.gz RNNNTUDWPUTJOP-QGZVFWFLSA-N 1 2 388.265 2.925 20 30 GFEDLO C=CC[N@@H+](CCC(=O)Nc1c(Cl)cccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000067400066 654937915 /nfs/dbraw/zinc/93/79/15/654937915.db2.gz RFXKSYSTTJUQQN-GFCCVEGCSA-N 1 2 391.320 2.997 20 30 GFEDLO C=CC[N@H+](CCC(=O)Nc1c(Cl)cccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000067400066 654937917 /nfs/dbraw/zinc/93/79/17/654937917.db2.gz RFXKSYSTTJUQQN-GFCCVEGCSA-N 1 2 391.320 2.997 20 30 GFEDLO C[C@@H](O[NH+]=C(N)Cc1cccnc1)C(=O)Nc1cccc(Br)c1 ZINC000137659281 655041383 /nfs/dbraw/zinc/04/13/83/655041383.db2.gz PTXUFFJAYVNZNL-LLVKDONJSA-N 1 2 377.242 2.703 20 30 GFEDLO Oc1ccc(Br)cc1/C=N\C[C@]1([NH+]2CCOCC2)CCSC1 ZINC000255232020 655437967 /nfs/dbraw/zinc/43/79/67/655437967.db2.gz KYJJXEBNPNYFTG-LTKMBJGESA-N 1 2 385.327 2.782 20 30 GFEDLO Brc1cn2ccnc2c(N=NC2CCN(c3cccc[nH+]3)CC2)n1 ZINC000749862036 655808426 /nfs/dbraw/zinc/80/84/26/655808426.db2.gz ABELDKPVIDSAND-UHFFFAOYSA-N 1 2 386.257 2.955 20 30 GFEDLO N#Cc1cccc(N2CC[NH+](C[C@@H](O)c3ccccc3Br)CC2)n1 ZINC000760913294 655994484 /nfs/dbraw/zinc/99/44/84/655994484.db2.gz PUIYRAGOHVZXPI-QGZVFWFLSA-N 1 2 387.281 2.571 20 30 GFEDLO C#C[C@@H](NC(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1)C(C)C ZINC000798544495 659116140 /nfs/dbraw/zinc/11/61/40/659116140.db2.gz AGXJAJPELBFIAP-OAHLLOKOSA-N 1 2 377.286 2.905 20 30 GFEDLO OCc1ccc(Br)c(N[NH+]=Cc2cnc(N3CCOCC3)s2)c1 ZINC000841654271 661307543 /nfs/dbraw/zinc/30/75/43/661307543.db2.gz MWLMEUMQQZJNNG-UHFFFAOYSA-N 1 2 397.298 2.681 20 30 GFEDLO N#Cc1ccc(OC2CC[NH+](CCn3cnc(Br)n3)CC2)c(F)c1 ZINC000852043931 661850610 /nfs/dbraw/zinc/85/06/10/661850610.db2.gz KMQZVCNYDDDBSK-UHFFFAOYSA-N 1 2 394.248 2.595 20 30 GFEDLO C=CCOc1ccc(Br)cc1NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000868843125 662621707 /nfs/dbraw/zinc/62/17/07/662621707.db2.gz QHNLVIMUXWRVPO-ONEGZZNKSA-N 1 2 381.270 2.841 20 30 GFEDLO C[C@@H]1C(NNc2cc(Br)nc[nH+]2)=CC(=O)N1C(=O)OC(C)(C)C ZINC000872436202 662766108 /nfs/dbraw/zinc/76/61/08/662766108.db2.gz VDQPAHWXJUZYMY-MRVPVSSYSA-N 1 2 384.234 2.563 20 30 GFEDLO C#CCNC(=O)C1CC[NH+](Cc2cc(OC)c(Br)cc2F)CC1 ZINC000876634038 662863821 /nfs/dbraw/zinc/86/38/21/662863821.db2.gz JRIAZIRMOGUDMT-UHFFFAOYSA-N 1 2 383.261 2.558 20 30 GFEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000884321680 663068822 /nfs/dbraw/zinc/06/88/22/663068822.db2.gz VLJNJIGPPFUXMR-INIZCTEOSA-N 1 2 382.913 2.870 20 30 GFEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1ccc(OCC(F)(F)F)c(Cl)c1 ZINC000884323299 663068872 /nfs/dbraw/zinc/06/88/72/663068872.db2.gz KNZPGFMZHPSPDM-NSHDSACASA-N 1 2 380.750 2.666 20 30 GFEDLO C[N@@H+]1CCC[C@@H]1c1cc(C(=O)N[C@H](C#N)c2ccc(Br)cc2)[nH]n1 ZINC000900112076 663708372 /nfs/dbraw/zinc/70/83/72/663708372.db2.gz QINXIXPJKSDJFN-HZPDHXFCSA-N 1 2 388.269 2.934 20 30 GFEDLO C[N@H+]1CCC[C@@H]1c1cc(C(=O)N[C@H](C#N)c2ccc(Br)cc2)[nH]n1 ZINC000900112076 663708374 /nfs/dbraw/zinc/70/83/74/663708374.db2.gz QINXIXPJKSDJFN-HZPDHXFCSA-N 1 2 388.269 2.934 20 30 GFEDLO CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@H](C)c2cc(C#N)ccn2)s1 ZINC000902775993 663767349 /nfs/dbraw/zinc/76/73/49/663767349.db2.gz JEJCEWOZFAAMFC-CYBMUJFWSA-N 1 2 378.523 2.896 20 30 GFEDLO N#Cc1cc(S(=O)(=O)N2CCC(n3cc[nH+]c3)CC2)ccc1Br ZINC000906891091 663979559 /nfs/dbraw/zinc/97/95/59/663979559.db2.gz QYDYWRDXILSQJT-UHFFFAOYSA-N 1 2 395.282 2.543 20 30 GFEDLO O=C(C[NH+]1CCC2(CC1)CC(=O)C=CO2)Nc1ccc(Br)cc1 ZINC000933650541 664871159 /nfs/dbraw/zinc/87/11/59/664871159.db2.gz RBNWSGHUOXBIAL-UHFFFAOYSA-N 1 2 379.254 2.725 20 30 GFEDLO C[C@@H]1C[N@H+](CCNC(=O)Nc2ccc(C#N)c(Br)c2)[C@@H](C)CO1 ZINC000596904134 677674340 /nfs/dbraw/zinc/67/43/40/677674340.db2.gz LPRONIVIMRXIAF-NWDGAFQWSA-N 1 2 381.274 2.551 20 30 GFEDLO C[C@@H]1C[N@@H+](CCNC(=O)Nc2ccc(C#N)c(Br)c2)[C@@H](C)CO1 ZINC000596904134 677674341 /nfs/dbraw/zinc/67/43/41/677674341.db2.gz LPRONIVIMRXIAF-NWDGAFQWSA-N 1 2 381.274 2.551 20 30 GFEDLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1nc(Cl)c(F)cc1C#N)C2 ZINC001165010207 721694617 /nfs/dbraw/zinc/69/46/17/721694617.db2.gz UCWXCNYULVJAQL-UHFFFAOYSA-N 1 2 377.855 2.588 20 30 GFEDLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1nc(Cl)c(F)cc1C#N)C2 ZINC001165010207 721694619 /nfs/dbraw/zinc/69/46/19/721694619.db2.gz UCWXCNYULVJAQL-UHFFFAOYSA-N 1 2 377.855 2.588 20 30 GFEDLO N#Cc1cc(Cl)cnc1N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164946959 721977157 /nfs/dbraw/zinc/97/71/57/721977157.db2.gz MMSHODHADOEFIS-UHFFFAOYSA-N 1 2 395.894 2.578 20 30 GFEDLO N#Cc1cc(Cl)cnc1N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164946959 721977160 /nfs/dbraw/zinc/97/71/60/721977160.db2.gz MMSHODHADOEFIS-UHFFFAOYSA-N 1 2 395.894 2.578 20 30 GFEDLO Cc1nc(CN2CCO[C@@H]3CCN(c4cc(CC#N)cc[nH+]4)CC[C@@H]32)cs1 ZINC001164989246 722184169 /nfs/dbraw/zinc/18/41/69/722184169.db2.gz LSBSPVMNBNLTIV-RBUKOAKNSA-N 1 2 383.521 2.782 20 30 GFEDLO N#Cc1cc(S(=O)(=O)N2CC[NH+](CCc3cccs3)CC2)ccc1Cl ZINC000057018953 551179610 /nfs/dbraw/zinc/17/96/10/551179610.db2.gz NYMKBKLDUBNHEF-UHFFFAOYSA-N 1 2 395.937 2.822 20 30 GFEDLO N#CCCCC[NH+]1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000058338434 551183061 /nfs/dbraw/zinc/18/30/61/551183061.db2.gz JEUUQXHVEJIBFX-UHFFFAOYSA-N 1 2 376.309 2.994 20 30 GFEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1ccc(Br)s1 ZINC000155644276 551504608 /nfs/dbraw/zinc/50/46/08/551504608.db2.gz VRINGOSMGWWXQP-NSHDSACASA-N 1 2 378.299 2.883 20 30 GFEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1ccc(Br)s1 ZINC000155644276 551504609 /nfs/dbraw/zinc/50/46/09/551504609.db2.gz VRINGOSMGWWXQP-NSHDSACASA-N 1 2 378.299 2.883 20 30 GFEDLO COc1ccc(Br)c(CN(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000156420214 551522240 /nfs/dbraw/zinc/52/22/40/551522240.db2.gz ASXXPPJDORZNKM-UHFFFAOYSA-N 1 2 382.302 2.506 20 30 GFEDLO C[N@H+](CCOc1ccccc1C#N)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000157642154 551540585 /nfs/dbraw/zinc/54/05/85/551540585.db2.gz YFXSGKCJBSWNFG-KRWDZBQOSA-N 1 2 388.265 2.858 20 30 GFEDLO C[N@@H+](CCOc1ccccc1C#N)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000157642154 551540588 /nfs/dbraw/zinc/54/05/88/551540588.db2.gz YFXSGKCJBSWNFG-KRWDZBQOSA-N 1 2 388.265 2.858 20 30 GFEDLO C[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc(C#N)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000245635262 553094185 /nfs/dbraw/zinc/09/41/85/553094185.db2.gz VKOMVNCIFUOXKC-QZTJIDSGSA-N 1 2 375.881 2.935 20 30 GFEDLO C[N@H+]1CC[C@@H](NS(=O)(=O)c2ccc(C#N)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000245635262 553094187 /nfs/dbraw/zinc/09/41/87/553094187.db2.gz VKOMVNCIFUOXKC-QZTJIDSGSA-N 1 2 375.881 2.935 20 30 GFEDLO C=CCC[C@H]1NC(=O)N(Cc2cn3cc(Br)cc(C)c3[nH+]2)C1=O ZINC000419951765 563253766 /nfs/dbraw/zinc/25/37/66/563253766.db2.gz NUGHSUZBXPDZCD-CYBMUJFWSA-N 1 2 377.242 2.792 20 30 GFEDLO Cc1cc(Br)cn2cc(CNC(=O)N3C[C@@H]4CC[C@H](O)[C@H]4C3)[nH+]c12 ZINC000329493716 563481447 /nfs/dbraw/zinc/48/14/47/563481447.db2.gz FAOUSCRSLNWBTD-CQDKDKBSSA-N 1 2 393.285 2.522 20 30 GFEDLO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(Cc2c(Br)cnn2C)CC1 ZINC000330273934 563500414 /nfs/dbraw/zinc/50/04/14/563500414.db2.gz ZYHFSVQJLIJFEY-CYBMUJFWSA-N 1 2 398.349 2.588 20 30 GFEDLO CC[NH+]1CCN(CCNC(=O)c2cc(Cl)cc(Br)c2O)CC1 ZINC000331231142 563541518 /nfs/dbraw/zinc/54/15/18/563541518.db2.gz HQBQOSUTUUMVOO-UHFFFAOYSA-N 1 2 390.709 2.750 20 30 GFEDLO CC(C)Oc1ccc(Br)cc1NC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000331227028 563541557 /nfs/dbraw/zinc/54/15/57/563541557.db2.gz YJMYNQCKJHSGFQ-CQSZACIVSA-N 1 2 399.333 2.808 20 30 GFEDLO CC(C)Oc1ccc(Br)cc1NC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000331227028 563541559 /nfs/dbraw/zinc/54/15/59/563541559.db2.gz YJMYNQCKJHSGFQ-CQSZACIVSA-N 1 2 399.333 2.808 20 30 GFEDLO C[C@H]([NH2+][C@@H]1CCC[C@H]1C#N)C(=O)Nc1cccc(I)c1 ZINC000331324885 563545617 /nfs/dbraw/zinc/54/56/17/563545617.db2.gz FZPZUEBXVXKYHE-COPLHBTASA-N 1 2 383.233 2.900 20 30 GFEDLO C[NH+](C)Cc1ccnc(NS(=O)(=O)c2ccc(C#N)c(Br)c2)c1 ZINC000432948965 563597952 /nfs/dbraw/zinc/59/79/52/563597952.db2.gz KBXOJYKKASEEPJ-UHFFFAOYSA-N 1 2 395.282 2.578 20 30 GFEDLO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCC[C@H]1C(=O)Nc1nccs1 ZINC000363410479 563722236 /nfs/dbraw/zinc/72/22/36/563722236.db2.gz FWBIEJFRYJLNOY-LBPRGKRZSA-N 1 2 375.479 2.508 20 30 GFEDLO N#Cc1ccsc1NC(=O)CC[N@H+]1CCC[C@H]1C(=O)Nc1nccs1 ZINC000363410479 563722240 /nfs/dbraw/zinc/72/22/40/563722240.db2.gz FWBIEJFRYJLNOY-LBPRGKRZSA-N 1 2 375.479 2.508 20 30 GFEDLO C[C@@H](C(=O)N(CCC#N)CC[NH+]1CCOCC1)c1cccc(Br)c1 ZINC000292282043 563781221 /nfs/dbraw/zinc/78/12/21/563781221.db2.gz XNDYKCXCZHIGNA-OAHLLOKOSA-N 1 2 394.313 2.627 20 30 GFEDLO COC(=O)N1CCN(c2ccc(Nc3nc(Cl)c(C#N)s3)c[nH+]2)CC1 ZINC000292645134 563792179 /nfs/dbraw/zinc/79/21/79/563792179.db2.gz BIKKQEPIXLVDQX-UHFFFAOYSA-N 1 2 378.845 2.695 20 30 GFEDLO N#Cc1ccc(S(=O)(=O)N2CCC[N@@H+](Cc3ccccc3F)CC2)s1 ZINC000367189831 563835333 /nfs/dbraw/zinc/83/53/33/563835333.db2.gz XXLWEUFLYGXYDK-UHFFFAOYSA-N 1 2 379.482 2.655 20 30 GFEDLO N#Cc1ccc(S(=O)(=O)N2CCC[N@H+](Cc3ccccc3F)CC2)s1 ZINC000367189831 563835338 /nfs/dbraw/zinc/83/53/38/563835338.db2.gz XXLWEUFLYGXYDK-UHFFFAOYSA-N 1 2 379.482 2.655 20 30 GFEDLO CC[N@@H+](Cc1cc(Br)ccc1O[C@H](C)C(=O)NC)C[C@H](C)C#N ZINC000449018509 563905753 /nfs/dbraw/zinc/90/57/53/563905753.db2.gz SJCPKEGYSPAFRI-CHWSQXEVSA-N 1 2 382.302 2.944 20 30 GFEDLO CC[N@H+](Cc1cc(Br)ccc1O[C@H](C)C(=O)NC)C[C@H](C)C#N ZINC000449018509 563905754 /nfs/dbraw/zinc/90/57/54/563905754.db2.gz SJCPKEGYSPAFRI-CHWSQXEVSA-N 1 2 382.302 2.944 20 30 GFEDLO N#Cc1c(Br)cccc1OCC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000449835900 564204562 /nfs/dbraw/zinc/20/45/62/564204562.db2.gz QVQNSOBGIKMQMN-GFCCVEGCSA-N 1 2 389.253 2.829 20 30 GFEDLO N#Cc1ccc(OCC(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)cc1Br ZINC000450367552 564230217 /nfs/dbraw/zinc/23/02/17/564230217.db2.gz CPVYLQLWHSNUEF-AWEZNQCLSA-N 1 2 375.226 2.786 20 30 GFEDLO C[N@H+](Cc1ccccc1)C1CN(S(=O)(=O)c2cccc(Cl)c2C#N)C1 ZINC000510461427 564334639 /nfs/dbraw/zinc/33/46/39/564334639.db2.gz ZUCPFMFABVITCW-UHFFFAOYSA-N 1 2 375.881 2.717 20 30 GFEDLO C[N@@H+](Cc1ccccc1)C1CN(S(=O)(=O)c2cccc(Cl)c2C#N)C1 ZINC000510461427 564334646 /nfs/dbraw/zinc/33/46/46/564334646.db2.gz ZUCPFMFABVITCW-UHFFFAOYSA-N 1 2 375.881 2.717 20 30 GFEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H]2C(=O)N2CCSCC2)c(Br)c1 ZINC000480748155 564486752 /nfs/dbraw/zinc/48/67/52/564486752.db2.gz KZEVWTXYOWQJSK-INIZCTEOSA-N 1 2 394.338 2.861 20 30 GFEDLO N#Cc1ccc(C[N@H+]2CCC[C@H]2C(=O)N2CCSCC2)c(Br)c1 ZINC000480748155 564486756 /nfs/dbraw/zinc/48/67/56/564486756.db2.gz KZEVWTXYOWQJSK-INIZCTEOSA-N 1 2 394.338 2.861 20 30 GFEDLO CC(C)[C@@H]1CN(S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CC[N@@H+]1C ZINC000486625025 564659458 /nfs/dbraw/zinc/65/94/58/564659458.db2.gz CIQLJTHFAJUAAE-AWEZNQCLSA-N 1 2 375.416 2.538 20 30 GFEDLO CC(C)[C@@H]1CN(S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CC[N@H+]1C ZINC000486625025 564659461 /nfs/dbraw/zinc/65/94/61/564659461.db2.gz CIQLJTHFAJUAAE-AWEZNQCLSA-N 1 2 375.416 2.538 20 30 GFEDLO CC(C)(CNC(=O)Nc1ccc(C#N)c(Br)c1)[NH+]1CCOCC1 ZINC000487833418 564697039 /nfs/dbraw/zinc/69/70/39/564697039.db2.gz GSEGZXYPTYENTL-UHFFFAOYSA-N 1 2 381.274 2.553 20 30 GFEDLO C=CCOc1c(Br)cc(C[N@H+]2C[C@@H](OC)[C@@H](OC)C2)cc1OC ZINC000488529956 564713773 /nfs/dbraw/zinc/71/37/73/564713773.db2.gz CQLFZUHSONJDAK-IYBDPMFKSA-N 1 2 386.286 2.868 20 30 GFEDLO C=CCOc1c(Br)cc(C[N@@H+]2C[C@@H](OC)[C@@H](OC)C2)cc1OC ZINC000488529956 564713778 /nfs/dbraw/zinc/71/37/78/564713778.db2.gz CQLFZUHSONJDAK-IYBDPMFKSA-N 1 2 386.286 2.868 20 30 GFEDLO Cc1[nH+]ccc(NS(=O)(=O)c2ccc(Cl)c(C#N)c2)c1Br ZINC000527112201 564730458 /nfs/dbraw/zinc/73/04/58/564730458.db2.gz CPOKQEQNRMZBMG-UHFFFAOYSA-N 1 2 386.658 2.900 20 30 GFEDLO C=CCN(CC=C)C(=O)C[N@@H+](CCO)Cc1cc(Br)ccc1F ZINC000489634565 564746479 /nfs/dbraw/zinc/74/64/79/564746479.db2.gz NRTOBCJUGWPVFQ-UHFFFAOYSA-N 1 2 385.277 2.583 20 30 GFEDLO C=CCN(CC=C)C(=O)C[N@H+](CCO)Cc1cc(Br)ccc1F ZINC000489634565 564746481 /nfs/dbraw/zinc/74/64/81/564746481.db2.gz NRTOBCJUGWPVFQ-UHFFFAOYSA-N 1 2 385.277 2.583 20 30 GFEDLO N#Cc1ccc(Br)cc1S(=O)(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000559641824 564937865 /nfs/dbraw/zinc/93/78/65/564937865.db2.gz NZDQWBJZACCONS-UHFFFAOYSA-N 1 2 395.282 2.543 20 30 GFEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1=O ZINC000499939292 564941086 /nfs/dbraw/zinc/94/10/86/564941086.db2.gz KUAGYPQGQLKSCH-JKSUJKDBSA-N 1 2 382.291 2.817 20 30 GFEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1=O ZINC000499939292 564941090 /nfs/dbraw/zinc/94/10/90/564941090.db2.gz KUAGYPQGQLKSCH-JKSUJKDBSA-N 1 2 382.291 2.817 20 30 GFEDLO N#Cc1ccc(CNC(=O)NC[C@@H](c2cccs2)[NH+]2CCOCC2)s1 ZINC000562931919 565048702 /nfs/dbraw/zinc/04/87/02/565048702.db2.gz UMCZDEKXRVSGJL-HNNXBMFYSA-N 1 2 376.507 2.554 20 30 GFEDLO C=CCCS(=O)(=O)N[C@H](c1[nH+]ccn1C)c1ccc(Br)cc1 ZINC000660015271 565238810 /nfs/dbraw/zinc/23/88/10/565238810.db2.gz SGXXMOPFDBPBCR-AWEZNQCLSA-N 1 2 384.299 2.768 20 30 GFEDLO C=CCCn1cc(C[N@H+]2CC[C@H](Oc3cncc(Br)c3)C2)nn1 ZINC000639775988 565260025 /nfs/dbraw/zinc/26/00/25/565260025.db2.gz IGRAQOKSFPYYQW-HNNXBMFYSA-N 1 2 378.274 2.665 20 30 GFEDLO C=CCCn1cc(C[N@@H+]2CC[C@H](Oc3cncc(Br)c3)C2)nn1 ZINC000639775988 565260027 /nfs/dbraw/zinc/26/00/27/565260027.db2.gz IGRAQOKSFPYYQW-HNNXBMFYSA-N 1 2 378.274 2.665 20 30 GFEDLO N#Cc1sccc1S(=O)(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000593585500 565345380 /nfs/dbraw/zinc/34/53/80/565345380.db2.gz NXJBCPIVWCRZKQ-HNNXBMFYSA-N 1 2 393.559 2.516 20 30 GFEDLO N#Cc1sccc1S(=O)(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000593585500 565345384 /nfs/dbraw/zinc/34/53/84/565345384.db2.gz NXJBCPIVWCRZKQ-HNNXBMFYSA-N 1 2 393.559 2.516 20 30 GFEDLO C[C@H](CNC(=O)c1ccc(Br)cc1C#N)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594098165 565375303 /nfs/dbraw/zinc/37/53/03/565375303.db2.gz FOAILVUGTZIURT-UPJWGTAASA-N 1 2 380.286 2.548 20 30 GFEDLO C[C@H](CNC(=O)c1ccc(Br)cc1C#N)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594098165 565375305 /nfs/dbraw/zinc/37/53/05/565375305.db2.gz FOAILVUGTZIURT-UPJWGTAASA-N 1 2 380.286 2.548 20 30 GFEDLO COc1ncc(Br)cc1C[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000595502512 565479882 /nfs/dbraw/zinc/47/98/82/565479882.db2.gz SSQJACLPFAIUBO-HNNXBMFYSA-N 1 2 389.253 2.773 20 30 GFEDLO COc1ncc(Br)cc1C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000595502512 565479884 /nfs/dbraw/zinc/47/98/84/565479884.db2.gz SSQJACLPFAIUBO-HNNXBMFYSA-N 1 2 389.253 2.773 20 30 GFEDLO N#CC1(C[C@@H](O)C[N@@H+]2CCOc3c(Br)cccc3C2)CCOCC1 ZINC000599392356 565676097 /nfs/dbraw/zinc/67/60/97/565676097.db2.gz RLZDOELEMIDFIG-OAHLLOKOSA-N 1 2 395.297 2.715 20 30 GFEDLO N#CC1(C[C@@H](O)C[N@H+]2CCOc3c(Br)cccc3C2)CCOCC1 ZINC000599392356 565676102 /nfs/dbraw/zinc/67/61/02/565676102.db2.gz RLZDOELEMIDFIG-OAHLLOKOSA-N 1 2 395.297 2.715 20 30 GFEDLO Cn1nccc1[C@@H]1c2[nH]c[nH+]c2CCN1Cc1ccc(C#N)cc1Br ZINC000599443596 565680257 /nfs/dbraw/zinc/68/02/57/565680257.db2.gz CKNDYINMEPNQQO-GOSISDBHSA-N 1 2 397.280 2.925 20 30 GFEDLO N#Cc1ccc(CN2CCC[N@@H+](Cc3ccc(F)c(-c4nn[nH]n4)c3)CC2)cc1 ZINC000822825362 606963233 /nfs/dbraw/zinc/96/32/33/606963233.db2.gz CBLPXKBNZRVMDJ-UHFFFAOYSA-N 1 2 391.454 2.585 20 30 GFEDLO N#Cc1ccc(CN2CCC[N@H+](Cc3ccc(F)c(-c4nn[nH]n4)c3)CC2)cc1 ZINC000822825362 606963234 /nfs/dbraw/zinc/96/32/34/606963234.db2.gz CBLPXKBNZRVMDJ-UHFFFAOYSA-N 1 2 391.454 2.585 20 30 GFEDLO C=CC[N@@H+](Cc1c(C(C)C)nn(C)c1N(C)C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000823914181 608631152 /nfs/dbraw/zinc/63/11/52/608631152.db2.gz CPJCSSICTGOQJN-UHFFFAOYSA-N 1 2 394.527 2.978 20 30 GFEDLO C=CC[N@H+](Cc1c(C(C)C)nn(C)c1N(C)C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000823914181 608631153 /nfs/dbraw/zinc/63/11/53/608631153.db2.gz CPJCSSICTGOQJN-UHFFFAOYSA-N 1 2 394.527 2.978 20 30 GFEDLO C#C[C@H](NC(=O)NC(C)(C)C[NH+]1CCOCC1)c1ccc(Br)cc1 ZINC000820612230 660299980 /nfs/dbraw/zinc/29/99/80/660299980.db2.gz SNKNNZUXODVHCR-INIZCTEOSA-N 1 2 394.313 2.533 20 30 GFEDLO C#C[C@H](NC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1)c1ccc(Br)cc1 ZINC000836317894 660899543 /nfs/dbraw/zinc/89/95/43/660899543.db2.gz JIAJKRDAWYYPNR-ZQIUZPCESA-N 1 2 394.313 2.532 20 30 GFEDLO C[C@H](C(=O)Nc1cccc(I)c1)[NH+]1CCC(C#N)CC1 ZINC000057877628 654811276 /nfs/dbraw/zinc/81/12/76/654811276.db2.gz AYAWRHVWZRBGIV-LLVKDONJSA-N 1 2 383.233 2.854 20 30 GFEDLO N#Cc1ccc(C[NH+]2CCN(c3ccc(C(N)=O)cc3)CC2)c(Br)c1 ZINC000272572497 655116638 /nfs/dbraw/zinc/11/66/38/655116638.db2.gz QYZJIFQEPRTBTE-UHFFFAOYSA-N 1 2 399.292 2.742 20 30 GFEDLO C#CC[NH+]1CCN(Cn2cc(Br)c(-c3ccc(F)cc3)n2)CC1 ZINC000170902367 655147195 /nfs/dbraw/zinc/14/71/95/655147195.db2.gz ONDHWSJMWWOSEU-UHFFFAOYSA-N 1 2 377.261 2.660 20 30 GFEDLO C[N@H+](Cc1cc(Cl)ccc1OCC#N)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000735311196 655644545 /nfs/dbraw/zinc/64/45/45/655644545.db2.gz MAVIRFLEQBQAFZ-ZDUSSCGKSA-N 1 2 375.778 2.837 20 30 GFEDLO C[N@@H+](Cc1cc(Cl)ccc1OCC#N)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000735311196 655644547 /nfs/dbraw/zinc/64/45/47/655644547.db2.gz MAVIRFLEQBQAFZ-ZDUSSCGKSA-N 1 2 375.778 2.837 20 30 GFEDLO O=C1Nc2c(cc(Br)cc2Cl)C1=NNC1=[NH+][C@@H]2CCCC[C@@H]2N1 ZINC000753934839 655861039 /nfs/dbraw/zinc/86/10/39/655861039.db2.gz KOCBHHGIHGHNHV-PHIMTYICSA-N 1 2 396.676 2.619 20 30 GFEDLO C#C[C@@H](C)[N@H+](C)Cn1nc(-c2ccc(I)cc2)nc1C ZINC000766662001 656178504 /nfs/dbraw/zinc/17/85/04/656178504.db2.gz DJFNHVCDTHCTHR-LLVKDONJSA-N 1 2 380.233 2.769 20 30 GFEDLO C#C[C@@H](C)[N@@H+](C)Cn1nc(-c2ccc(I)cc2)nc1C ZINC000766662001 656178506 /nfs/dbraw/zinc/17/85/06/656178506.db2.gz DJFNHVCDTHCTHR-LLVKDONJSA-N 1 2 380.233 2.769 20 30 GFEDLO C[C@H](C1CC1)N(C(=O)CO[NH+]=C(N)c1ccc(Br)cc1)C1CC1 ZINC000782949632 657195763 /nfs/dbraw/zinc/19/57/63/657195763.db2.gz KVJFUKWHRYAKTR-LLVKDONJSA-N 1 2 380.286 2.876 20 30 GFEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1c(O)cccc1Br ZINC000862252374 662277779 /nfs/dbraw/zinc/27/77/79/662277779.db2.gz SUTQUGJWAOLTQZ-GFCCVEGCSA-N 1 2 388.269 2.527 20 30 GFEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1c(O)cccc1Br ZINC000862252374 662277782 /nfs/dbraw/zinc/27/77/82/662277782.db2.gz SUTQUGJWAOLTQZ-GFCCVEGCSA-N 1 2 388.269 2.527 20 30 GFEDLO COc1ccc(NC(=S)NN=C2CCC[N@@H+]3CCSC[C@H]23)cc1OC ZINC000872332471 662760431 /nfs/dbraw/zinc/76/04/31/662760431.db2.gz LDQPUBQCANARLZ-CQSZACIVSA-N 1 2 380.539 2.557 20 30 GFEDLO COc1ccc(NC(=S)NN=C2CCC[N@H+]3CCSC[C@H]23)cc1OC ZINC000872332471 662760433 /nfs/dbraw/zinc/76/04/33/662760433.db2.gz LDQPUBQCANARLZ-CQSZACIVSA-N 1 2 380.539 2.557 20 30 GFEDLO O=C(Cc1[nH]cc[nH+]1)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000885283251 663088102 /nfs/dbraw/zinc/08/81/02/663088102.db2.gz BYJRXXINKWBNJY-RNFRBKRXSA-N 1 2 377.235 2.582 20 30 GFEDLO N#Cc1ccc(N2CCC([NH2+]Cc3ncc(Br)cc3O)CC2)nc1 ZINC000892859367 663387029 /nfs/dbraw/zinc/38/70/29/663387029.db2.gz FMBTVSFLYLEXID-UHFFFAOYSA-N 1 2 388.269 2.575 20 30 GFEDLO C[N@@H+]1CCC[C@H]1c1cc(C(=O)N[C@H](C#N)c2ccccc2Br)[nH]n1 ZINC000900699566 663719881 /nfs/dbraw/zinc/71/98/81/663719881.db2.gz MDTRHGPLPIEAOL-CVEARBPZSA-N 1 2 388.269 2.934 20 30 GFEDLO C[N@H+]1CCC[C@H]1c1cc(C(=O)N[C@H](C#N)c2ccccc2Br)[nH]n1 ZINC000900699566 663719883 /nfs/dbraw/zinc/71/98/83/663719883.db2.gz MDTRHGPLPIEAOL-CVEARBPZSA-N 1 2 388.269 2.934 20 30 GFEDLO CCn1nncc1C[NH+]1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932945209 664844031 /nfs/dbraw/zinc/84/40/31/664844031.db2.gz SSOIBJJXABEEEG-IUCAKERBSA-N 1 2 378.267 2.901 20 30 GFEDLO