smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1cccc(C#N)c1 ZINC000610830039 1083744909 /nfs/dbraw/zinc/74/49/09/1083744909.db2.gz YSRNERQHANIXIR-KRWDZBQOSA-N 2 2 351.469 4.055 20 30 FIEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000236662252 1083966815 /nfs/dbraw/zinc/96/68/15/1083966815.db2.gz QREHUXLJOQPASJ-UHFFFAOYSA-N 2 2 357.479 4.063 20 30 FIEDLP CC[C@@H]([NH2+]CC#CC[NH2+][C@@H](CC)c1nc(C)cs1)c1nc(C)cs1 ZINC000582375276 1084917319 /nfs/dbraw/zinc/91/73/19/1084917319.db2.gz GJZKHXOAKXRRHN-IYBDPMFKSA-N 2 2 362.568 4.001 20 30 FIEDLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(C#N)cc1Cl ZINC000398053729 1093806976 /nfs/dbraw/zinc/80/69/76/1093806976.db2.gz YQGYYZPPVFNNBZ-KKSFZXQISA-N 2 2 353.897 4.212 20 30 FIEDLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(C#N)cc1Cl ZINC000398053729 1093806979 /nfs/dbraw/zinc/80/69/79/1093806979.db2.gz YQGYYZPPVFNNBZ-KKSFZXQISA-N 2 2 353.897 4.212 20 30 FIEDLP C=CCOc1ccc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1Cl ZINC000508670669 1099160967 /nfs/dbraw/zinc/16/09/67/1099160967.db2.gz NBBFIDDTYKEDRY-INIZCTEOSA-N 2 2 359.901 4.093 20 30 FIEDLP C=CCOc1ccc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1Cl ZINC000508670669 1099160971 /nfs/dbraw/zinc/16/09/71/1099160971.db2.gz NBBFIDDTYKEDRY-INIZCTEOSA-N 2 2 359.901 4.093 20 30 FIEDLP C=CC[N@@H+](CCCn1cc[nH+]c1C)Cc1cc(Br)ccc1F ZINC000536477113 1105162127 /nfs/dbraw/zinc/16/21/27/1105162127.db2.gz OJZBJIIQTUULOO-UHFFFAOYSA-N 2 2 366.278 4.171 20 30 FIEDLP C=CC[N@H+](CCCn1cc[nH+]c1C)Cc1cc(Br)ccc1F ZINC000536477113 1105162131 /nfs/dbraw/zinc/16/21/31/1105162131.db2.gz OJZBJIIQTUULOO-UHFFFAOYSA-N 2 2 366.278 4.171 20 30 FIEDLP N#Cc1cccc(COc2cccc(C[NH2+]CCCNc3cccc[nH+]3)c2)c1 ZINC000530961534 1107425075 /nfs/dbraw/zinc/42/50/75/1107425075.db2.gz YBZDQBSWVDPXGN-UHFFFAOYSA-N 2 2 372.472 4.124 20 30 FIEDLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2cccc(OCCCC#N)c2)CC1 ZINC000447095312 1109440869 /nfs/dbraw/zinc/44/08/69/1109440869.db2.gz XIWOHYRWUMLKPQ-UHFFFAOYSA-N 2 2 365.477 4.116 20 30 FIEDLP C=CCCCC[C@@H](C)[NH2+]C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000449524469 1110098854 /nfs/dbraw/zinc/09/88/54/1110098854.db2.gz NYZLCLSFJWNTMB-GOSISDBHSA-N 2 2 357.542 4.334 20 30 FIEDLP Cn1cc[nH+]c1C[C@H]([NH2+]Cc1ccc(C(C)(C)C#N)cc1)c1ccccc1 ZINC000594514123 1115457749 /nfs/dbraw/zinc/45/77/49/1115457749.db2.gz PNELWODJCUBKCN-NRFANRHFSA-N 2 2 358.489 4.295 20 30 FIEDLP CCCOc1cccc(C[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)c1 ZINC000593692320 1115797228 /nfs/dbraw/zinc/79/72/28/1115797228.db2.gz BAPBFTDIHDVBNL-UHFFFAOYSA-N 2 2 363.505 4.101 20 30 FIEDLP C[C@@H](C[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1)c1cc(F)cc(F)c1 ZINC000593696250 1115797434 /nfs/dbraw/zinc/79/74/34/1115797434.db2.gz ZIVQQIHZKXDEPT-INIZCTEOSA-N 2 2 369.459 4.194 20 30 FIEDLP C[C@@H]([NH2+]CCSCc1ccccc1C#N)c1ccc(-n2cc[nH+]c2)cc1 ZINC000540175550 1117915756 /nfs/dbraw/zinc/91/57/56/1117915756.db2.gz HNUUUYGYYRPPMK-QGZVFWFLSA-N 2 2 362.502 4.328 20 30 FIEDLP C=C(Cl)COc1ccc([C@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)cc1 ZINC000152830782 1119517589 /nfs/dbraw/zinc/51/75/89/1119517589.db2.gz JICUJTSTIOYGBG-INIZCTEOSA-N 2 2 359.901 4.244 20 30 FIEDLP C=C(Cl)COc1ccc([C@@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)cc1 ZINC000152830876 1119517797 /nfs/dbraw/zinc/51/77/97/1119517797.db2.gz JICUJTSTIOYGBG-MRXNPFEDSA-N 2 2 359.901 4.244 20 30 FIEDLP CCOc1ccc(O)c(/C=[NH+]\CC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000920388040 1123451276 /nfs/dbraw/zinc/45/12/76/1123451276.db2.gz XTJZOPKKJVZFPW-KQWNVCNZSA-N 2 2 352.478 4.122 20 30 FIEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cn(-c3ccccc3)nc2C(C)(C)C)CC1 ZINC000236691808 1123549644 /nfs/dbraw/zinc/54/96/44/1123549644.db2.gz LDTFIKYMRVQHRZ-UHFFFAOYSA-N 2 2 366.553 4.300 20 30 FIEDLP FC(F)(F)c1ccc(C#CC[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134936982 1123696479 /nfs/dbraw/zinc/69/64/79/1123696479.db2.gz VNBLBNBXQCFRTQ-XLIONFOSSA-N 2 2 362.439 4.006 20 30 FIEDLP FC(F)(F)c1ccc(C#CC[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134936982 1123696480 /nfs/dbraw/zinc/69/64/80/1123696480.db2.gz VNBLBNBXQCFRTQ-XLIONFOSSA-N 2 2 362.439 4.006 20 30 FIEDLP FC(F)(F)c1ccc(C#CC[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000134936982 1123696481 /nfs/dbraw/zinc/69/64/81/1123696481.db2.gz VNBLBNBXQCFRTQ-XLIONFOSSA-N 2 2 362.439 4.006 20 30 FIEDLP FC(F)(F)c1ccc(C#CC[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000134936982 1123696482 /nfs/dbraw/zinc/69/64/82/1123696482.db2.gz VNBLBNBXQCFRTQ-XLIONFOSSA-N 2 2 362.439 4.006 20 30 FIEDLP C=C(C)COc1cc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)ccc1OC ZINC000093564192 1125439708 /nfs/dbraw/zinc/43/97/08/1125439708.db2.gz URUCCCWREUFMQF-HXUWFJFHSA-N 2 2 358.526 4.100 20 30 FIEDLP C=C(C)COc1cc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)ccc1OC ZINC000093564192 1125439711 /nfs/dbraw/zinc/43/97/11/1125439711.db2.gz URUCCCWREUFMQF-HXUWFJFHSA-N 2 2 358.526 4.100 20 30 FIEDLP N#Cc1ccc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c(Cl)c1 ZINC000312093065 1082352727 /nfs/dbraw/zinc/35/27/27/1082352727.db2.gz CVKIJVBXOIQTRT-FPOVZHCZSA-N 2 2 365.908 4.166 20 30 FIEDLP N#Cc1ccc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c(Cl)c1 ZINC000312093065 1082352731 /nfs/dbraw/zinc/35/27/31/1082352731.db2.gz CVKIJVBXOIQTRT-FPOVZHCZSA-N 2 2 365.908 4.166 20 30 FIEDLP N#Cc1ccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)c(Cl)c1 ZINC000312093065 1082352735 /nfs/dbraw/zinc/35/27/35/1082352735.db2.gz CVKIJVBXOIQTRT-FPOVZHCZSA-N 2 2 365.908 4.166 20 30 FIEDLP N#Cc1ccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)c(Cl)c1 ZINC000312093065 1082352740 /nfs/dbraw/zinc/35/27/40/1082352740.db2.gz CVKIJVBXOIQTRT-FPOVZHCZSA-N 2 2 365.908 4.166 20 30 FIEDLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3cccc(C#N)c3F)C2)s1 ZINC000581073381 1084503602 /nfs/dbraw/zinc/50/36/02/1084503602.db2.gz HABWJWDBTKGNCW-INIZCTEOSA-N 2 2 357.498 4.021 20 30 FIEDLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)Cc3cccc(C#N)c3F)C2)s1 ZINC000581073381 1084503611 /nfs/dbraw/zinc/50/36/11/1084503611.db2.gz HABWJWDBTKGNCW-INIZCTEOSA-N 2 2 357.498 4.021 20 30 FIEDLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)Cc3cccc(C#N)c3F)C2)s1 ZINC000581073381 1084503621 /nfs/dbraw/zinc/50/36/21/1084503621.db2.gz HABWJWDBTKGNCW-INIZCTEOSA-N 2 2 357.498 4.021 20 30 FIEDLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3cccc(C#N)c3F)C2)s1 ZINC000581073381 1084503635 /nfs/dbraw/zinc/50/36/35/1084503635.db2.gz HABWJWDBTKGNCW-INIZCTEOSA-N 2 2 357.498 4.021 20 30 FIEDLP Cc1cccc([C@H]2CCC[NH+]2CC#CC[N@H+]2CCC[C@H]2c2cccc(C)n2)n1 ZINC000560159494 1085090999 /nfs/dbraw/zinc/09/09/99/1085090999.db2.gz QEYYPCGAFZJDGM-PSWAGMNNSA-N 2 2 374.532 4.071 20 30 FIEDLP Cc1cccc([C@H]2CCC[NH+]2CC#CC[N@@H+]2CCC[C@H]2c2cccc(C)n2)n1 ZINC000560159494 1085091001 /nfs/dbraw/zinc/09/10/01/1085091001.db2.gz QEYYPCGAFZJDGM-PSWAGMNNSA-N 2 2 374.532 4.071 20 30 FIEDLP Cc1cccc([C@H]2CCC[N@H+]2CC#CC[NH+]2CCC[C@H]2c2cccc(C)n2)n1 ZINC000560159494 1085091005 /nfs/dbraw/zinc/09/10/05/1085091005.db2.gz QEYYPCGAFZJDGM-PSWAGMNNSA-N 2 2 374.532 4.071 20 30 FIEDLP Cc1cccc([C@H]2CCC[N@@H+]2CC#CC[NH+]2CCC[C@H]2c2cccc(C)n2)n1 ZINC000560159494 1085091009 /nfs/dbraw/zinc/09/10/09/1085091009.db2.gz QEYYPCGAFZJDGM-PSWAGMNNSA-N 2 2 374.532 4.071 20 30 FIEDLP C=CCOc1c(Cl)cc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1OC ZINC000628147264 1085637956 /nfs/dbraw/zinc/63/79/56/1085637956.db2.gz MZTXXIJSQTXXSX-OAHLLOKOSA-N 2 2 361.873 4.016 20 30 FIEDLP C=CCOc1c(Cl)cc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1OC ZINC000628147264 1085637961 /nfs/dbraw/zinc/63/79/61/1085637961.db2.gz MZTXXIJSQTXXSX-OAHLLOKOSA-N 2 2 361.873 4.016 20 30 FIEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccc3cc(OC)c(OC)cc3c2)CC1 ZINC000657875060 1087520797 /nfs/dbraw/zinc/52/07/97/1087520797.db2.gz FNDGNIPDMWNZFF-INIZCTEOSA-N 2 2 354.494 4.158 20 30 FIEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2sccc2NC(=O)OC(C)(C)C)CC1 ZINC000892880816 1089229027 /nfs/dbraw/zinc/22/90/27/1089229027.db2.gz KMBRVBAUPXANGG-UHFFFAOYSA-N 2 2 365.543 4.225 20 30 FIEDLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccc(C#N)cc1F ZINC000512635345 1093051032 /nfs/dbraw/zinc/05/10/32/1093051032.db2.gz GUHXSIKGRLDOQX-JLHGSKIFSA-N 2 2 351.469 4.259 20 30 FIEDLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccc(C#N)cc1F ZINC000512635345 1093051040 /nfs/dbraw/zinc/05/10/40/1093051040.db2.gz GUHXSIKGRLDOQX-JLHGSKIFSA-N 2 2 351.469 4.259 20 30 FIEDLP C[C@@H]1C[C@H](NC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C[N@@H+]1C1CC1 ZINC000329446736 1094909686 /nfs/dbraw/zinc/90/96/86/1094909686.db2.gz LZVCWQWDFGYTSJ-NJAFHUGGSA-N 2 2 370.541 4.075 20 30 FIEDLP C[C@@H]1C[C@H](NC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C[N@H+]1C1CC1 ZINC000329446736 1094909688 /nfs/dbraw/zinc/90/96/88/1094909688.db2.gz LZVCWQWDFGYTSJ-NJAFHUGGSA-N 2 2 370.541 4.075 20 30 FIEDLP Clc1ccc(C#CC[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000503402398 1096385354 /nfs/dbraw/zinc/38/53/54/1096385354.db2.gz ABFODGHMEXRLHH-GOSISDBHSA-N 2 2 353.897 4.104 20 30 FIEDLP Clc1ccc(C#CC[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000503402398 1096385361 /nfs/dbraw/zinc/38/53/61/1096385361.db2.gz ABFODGHMEXRLHH-GOSISDBHSA-N 2 2 353.897 4.104 20 30 FIEDLP C=CC[NH+]1CCC([NH2+][C@H](Cc2ccccc2Br)C2CC2)CC1 ZINC000453105603 1108174784 /nfs/dbraw/zinc/17/47/84/1108174784.db2.gz XGADIDFAMQAIQO-LJQANCHMSA-N 2 2 363.343 4.010 20 30 FIEDLP CN1CCC[C@@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)c2ccccc21 ZINC000449655394 1110138081 /nfs/dbraw/zinc/13/80/81/1110138081.db2.gz YYNPNGMVOVBZPT-HSZRJFAPSA-N 2 2 374.532 4.084 20 30 FIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CC[C@H]4CCCC[C@H]4C3)CC2)cc1 ZINC000538398996 1111115331 /nfs/dbraw/zinc/11/53/31/1111115331.db2.gz YCQQQHKALXWQRJ-FUPPJEDESA-N 2 2 351.538 4.471 20 30 FIEDLP C=CC[NH+]1CCC([NH2+][C@H](CC)c2cc(F)cc(Br)c2)CC1 ZINC000538395547 1111122834 /nfs/dbraw/zinc/12/28/34/1111122834.db2.gz OPWGMCZJTQIGCO-QGZVFWFLSA-N 2 2 355.295 4.279 20 30 FIEDLP C=CC[NH+]1CCC([NH2+][C@H](C)[C@@H](C)Oc2ccc(Cl)cc2Cl)CC1 ZINC000482651189 1113323600 /nfs/dbraw/zinc/32/36/00/1113323600.db2.gz XHEBNCUTQLRUAH-ZIAGYGMSSA-N 2 2 357.325 4.389 20 30 FIEDLP C[C@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CCC(F)(F)CC1 ZINC000594516843 1115458368 /nfs/dbraw/zinc/45/83/68/1115458368.db2.gz GFGVRYCTRHDJDJ-INIZCTEOSA-N 2 2 361.480 4.326 20 30 FIEDLP Cc1cc(F)ccc1C[C@H](C)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000594956216 1115502103 /nfs/dbraw/zinc/50/21/03/1115502103.db2.gz IDUWOSJOJCRCHV-SFHVURJKSA-N 2 2 365.496 4.191 20 30 FIEDLP CC[N@@H+](Cc1ccc(C2(C#N)CC2)cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000597014374 1115633155 /nfs/dbraw/zinc/63/31/55/1115633155.db2.gz NKNVWTAQGUUFKW-UHFFFAOYSA-N 2 2 374.532 4.375 20 30 FIEDLP CC[N@H+](Cc1ccc(C2(C#N)CC2)cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000597014374 1115633157 /nfs/dbraw/zinc/63/31/57/1115633157.db2.gz NKNVWTAQGUUFKW-UHFFFAOYSA-N 2 2 374.532 4.375 20 30 FIEDLP Cc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](Cc3ccc(C#N)cc3)CC1)CCC2 ZINC000492176953 1119039920 /nfs/dbraw/zinc/03/99/20/1119039920.db2.gz WAUOBVDUMOHOEW-XMMPIXPASA-N 2 2 359.517 4.498 20 30 FIEDLP C[C@@H](C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccc(F)cc1F ZINC000181838563 1125154242 /nfs/dbraw/zinc/15/42/42/1125154242.db2.gz OYHJEJZTEZJOPJ-INIZCTEOSA-N 2 2 369.459 4.194 20 30 FIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H](Cc3ccccc3)C3CC3)CC2)cc1 ZINC000181980592 1125195968 /nfs/dbraw/zinc/19/59/68/1125195968.db2.gz QFNQYNIVCWJEJI-XMMPIXPASA-N 2 2 359.517 4.134 20 30 FIEDLP COCCC1(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCCCC1 ZINC000186886196 1079671793 /nfs/dbraw/zinc/67/17/93/1079671793.db2.gz OFTZYUGBVJLAJK-UHFFFAOYSA-N 2 2 369.553 4.099 20 30 FIEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccc(SC(F)F)c(OC)c2)CC1 ZINC000177912886 1084462503 /nfs/dbraw/zinc/46/25/03/1084462503.db2.gz NCIPIDJFYVLXCY-CYBMUJFWSA-N 2 2 356.482 4.311 20 30 FIEDLP C=CCOc1ccc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cc1Cl ZINC000066971413 1086606408 /nfs/dbraw/zinc/60/64/08/1086606408.db2.gz URIGZJSHVWDPMZ-UHFFFAOYSA-N 2 2 367.880 4.439 20 30 FIEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccc(Br)c(Cl)c2)CC1 ZINC000657875798 1087518576 /nfs/dbraw/zinc/51/85/76/1087518576.db2.gz QBIHHOYLWPSYRA-GFCCVEGCSA-N 2 2 357.723 4.404 20 30 FIEDLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1ccc(C#N)cc1F ZINC000512627545 1093027164 /nfs/dbraw/zinc/02/71/64/1093027164.db2.gz AMJTTWHLZSBEJJ-DKICVRJWSA-N 2 2 357.498 4.493 20 30 FIEDLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1ccc(C#N)cc1F ZINC000512627545 1093027181 /nfs/dbraw/zinc/02/71/81/1093027181.db2.gz AMJTTWHLZSBEJJ-DKICVRJWSA-N 2 2 357.498 4.493 20 30 FIEDLP C[C@H](NC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)C1=CC[N@H+](C)CC1 ZINC000329699646 1095150902 /nfs/dbraw/zinc/15/09/02/1095150902.db2.gz GFNUZWMEGQNVLK-LPHOPBHVSA-N 2 2 370.541 4.100 20 30 FIEDLP C[C@H](NC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)C1=CC[N@@H+](C)CC1 ZINC000329699646 1095150907 /nfs/dbraw/zinc/15/09/07/1095150907.db2.gz GFNUZWMEGQNVLK-LPHOPBHVSA-N 2 2 370.541 4.100 20 30 FIEDLP C=C(C)[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(F)c(F)c1 ZINC000420924130 1095166232 /nfs/dbraw/zinc/16/62/32/1095166232.db2.gz RXILZWWTZFIDSX-JOCHJYFZSA-N 2 2 372.459 4.204 20 30 FIEDLP O=C(CC[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)Nc1cccc(F)c1 ZINC000328644217 1104522431 /nfs/dbraw/zinc/52/24/31/1104522431.db2.gz FWKJCNJTHGEEMD-MRXNPFEDSA-N 2 2 370.472 4.216 20 30 FIEDLP O=C(CC[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)Nc1cccc(F)c1 ZINC000328644217 1104522440 /nfs/dbraw/zinc/52/24/40/1104522440.db2.gz FWKJCNJTHGEEMD-MRXNPFEDSA-N 2 2 370.472 4.216 20 30 FIEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(Br)cc2SC)CC1 ZINC000531530620 1107952962 /nfs/dbraw/zinc/95/29/62/1107952962.db2.gz GNIQYZPHGGUGTI-UHFFFAOYSA-N 2 2 369.372 4.301 20 30 FIEDLP CCCc1ccc(C[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)s1 ZINC000598651405 1115743176 /nfs/dbraw/zinc/74/31/76/1115743176.db2.gz RYBOFSCZUCHLKV-UHFFFAOYSA-N 2 2 353.535 4.326 20 30 FIEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]Cc3ccccc3C(F)(F)F)CC2)c1 ZINC000593687695 1115792713 /nfs/dbraw/zinc/79/27/13/1115792713.db2.gz MBKICLNGMGKSHP-UHFFFAOYSA-N 2 2 373.422 4.331 20 30 FIEDLP Cc1ccc2cc(C[NH2+]C3CC[NH+](Cc4cccc(C#N)c4)CC3)ccc2n1 ZINC000593693312 1115798179 /nfs/dbraw/zinc/79/81/79/1115798179.db2.gz UEXBIUNLLIRWBZ-UHFFFAOYSA-N 2 2 370.500 4.169 20 30 FIEDLP N#Cc1cccc(COc2cccc(C[NH+]3CCC(c4[nH]cc[nH+]4)CC3)c2)c1 ZINC000535084068 1116265957 /nfs/dbraw/zinc/26/59/57/1116265957.db2.gz GYGZUPWMDFUQBW-UHFFFAOYSA-N 2 2 372.472 4.240 20 30 FIEDLP CC(C)[C@H](CC(F)(F)F)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000463259704 1118056782 /nfs/dbraw/zinc/05/67/82/1118056782.db2.gz AKODTSDLEHGZRE-SFHVURJKSA-N 2 2 353.432 4.089 20 30 FIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]Cc3cc4c(s3)CCCC4)CC2)cc1 ZINC000540596266 1118139850 /nfs/dbraw/zinc/13/98/50/1118139850.db2.gz FIYYOYCCQBWIIT-UHFFFAOYSA-N 2 2 365.546 4.253 20 30 FIEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2sc(Cc3ccccc3)nc2C)CC1 ZINC000177909905 1119360887 /nfs/dbraw/zinc/36/08/87/1119360887.db2.gz KFWLYVZATOSTQM-INIZCTEOSA-N 2 2 355.551 4.343 20 30 FIEDLP C[N@H+](CCCn1cc[nH+]c1)CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000191602069 1119986434 /nfs/dbraw/zinc/98/64/34/1119986434.db2.gz UFEQINODPJAPBU-UHFFFAOYSA-N 2 2 358.489 4.105 20 30 FIEDLP C[N@@H+](CCCn1cc[nH+]c1)CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000191602069 1119986435 /nfs/dbraw/zinc/98/64/35/1119986435.db2.gz UFEQINODPJAPBU-UHFFFAOYSA-N 2 2 358.489 4.105 20 30 FIEDLP CN(c1ccccc1C=[NH+]Nc1ccccc1Cl)C1CC[NH+](C)CC1 ZINC000915934976 1121354189 /nfs/dbraw/zinc/35/41/89/1121354189.db2.gz IMARXFFOAAFAKZ-UHFFFAOYSA-N 2 2 356.901 4.316 20 30 FIEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(Br)cc2Cl)CC1 ZINC000236689960 1123549611 /nfs/dbraw/zinc/54/96/11/1123549611.db2.gz QARCBNWAJDUFNI-UHFFFAOYSA-N 2 2 357.723 4.233 20 30 FIEDLP C[NH+](C)CC1CC[NH+](c2ccc(Nc3cccc(F)c3C#N)cc2)CC1 ZINC000301333349 1124217867 /nfs/dbraw/zinc/21/78/67/1124217867.db2.gz BDQZDOVTGULWGL-UHFFFAOYSA-N 2 2 352.457 4.219 20 30 FIEDLP CC(C)Oc1ccccc1C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181547243 1125009344 /nfs/dbraw/zinc/00/93/44/1125009344.db2.gz NLMCLNHMIOOSCB-UHFFFAOYSA-N 2 2 363.505 4.100 20 30 FIEDLP C[C@@H](C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)Cc1cccs1 ZINC000181817109 1125143510 /nfs/dbraw/zinc/14/35/10/1125143510.db2.gz BNPWNFQCUXVQRM-QGZVFWFLSA-N 2 2 353.535 4.053 20 30 FIEDLP CC[N@H+](C[C@@H](C)CCC#N)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000602477207 567984432 /nfs/dbraw/zinc/98/44/32/567984432.db2.gz ZEEPMWYFRCKWQM-KRWDZBQOSA-N 2 2 357.546 4.139 20 30 FIEDLP CC[N@@H+](C[C@@H](C)CCC#N)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000602477207 567984433 /nfs/dbraw/zinc/98/44/33/567984433.db2.gz ZEEPMWYFRCKWQM-KRWDZBQOSA-N 2 2 357.546 4.139 20 30 FIEDLP CCCCO[C@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1(C)C ZINC000541909324 568206693 /nfs/dbraw/zinc/20/66/93/568206693.db2.gz GPMUMDPQXCCQMJ-YADHBBJMSA-N 2 2 369.553 4.096 20 30 FIEDLP N#Cc1ccc(C[NH+]2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)cc1 ZINC000007981163 568273810 /nfs/dbraw/zinc/27/38/10/568273810.db2.gz XGAQDBGQQGLTPD-UHFFFAOYSA-N 2 2 362.864 4.082 20 30 FIEDLP Cn1cc[nH+]c1C[C@H]([NH2+]Cc1cccc(OCCCC#N)c1)c1ccccc1 ZINC000610272806 1081000504 /nfs/dbraw/zinc/00/05/04/1081000504.db2.gz PPOZACRSKBONEE-QFIPXVFZSA-N 2 2 374.488 4.176 20 30 FIEDLP C=CCC[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccccc1 ZINC000448047751 1086458101 /nfs/dbraw/zinc/45/81/01/1086458101.db2.gz GIJWYIJLCPBHEP-QHCPKHFHSA-N 2 2 350.506 4.316 20 30 FIEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(-c3ccccc3)cc2OC)CC1 ZINC000512421065 1092299450 /nfs/dbraw/zinc/29/94/50/1092299450.db2.gz HDUDNIYSWKEIBW-UHFFFAOYSA-N 2 2 350.506 4.492 20 30 FIEDLP COc1cc(C#N)ccc1C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000501207777 1094559926 /nfs/dbraw/zinc/55/99/26/1094559926.db2.gz IRCWIOCKPVGHFU-PGRDOPGGSA-N 2 2 363.505 4.052 20 30 FIEDLP COc1cc(C#N)ccc1C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000501207777 1094559933 /nfs/dbraw/zinc/55/99/33/1094559933.db2.gz IRCWIOCKPVGHFU-PGRDOPGGSA-N 2 2 363.505 4.052 20 30 FIEDLP COc1cc(C#N)ccc1C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000501207777 1094559937 /nfs/dbraw/zinc/55/99/37/1094559937.db2.gz IRCWIOCKPVGHFU-PGRDOPGGSA-N 2 2 363.505 4.052 20 30 FIEDLP COc1cc(C#N)ccc1C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000501207777 1094559944 /nfs/dbraw/zinc/55/99/44/1094559944.db2.gz IRCWIOCKPVGHFU-PGRDOPGGSA-N 2 2 363.505 4.052 20 30 FIEDLP C[C@@H]1CC([N@@H+]2CCc3ccc(C#N)cc3C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168044331 1094918799 /nfs/dbraw/zinc/91/87/99/1094918799.db2.gz FKOMIPJOOCNFOH-RTBURBONSA-N 2 2 359.517 4.358 20 30 FIEDLP C[C@@H]1CC([N@H+]2CCc3ccc(C#N)cc3C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168044331 1094918807 /nfs/dbraw/zinc/91/88/07/1094918807.db2.gz FKOMIPJOOCNFOH-RTBURBONSA-N 2 2 359.517 4.358 20 30 FIEDLP N#CCCC[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccccc1 ZINC000420974595 1095218180 /nfs/dbraw/zinc/21/81/80/1095218180.db2.gz ORQCFXVGZCOYRS-QHCPKHFHSA-N 2 2 363.505 4.044 20 30 FIEDLP O=C(NCc1ccccc1-n1cc[nH+]c1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000330289341 1095451077 /nfs/dbraw/zinc/45/10/77/1095451077.db2.gz DUAYPHOKACLEPR-HXUWFJFHSA-N 2 2 352.482 4.126 20 30 FIEDLP O=C(NCc1ccccc1-n1cc[nH+]c1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000330289341 1095451081 /nfs/dbraw/zinc/45/10/81/1095451081.db2.gz DUAYPHOKACLEPR-HXUWFJFHSA-N 2 2 352.482 4.126 20 30 FIEDLP C=CCOc1ccc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1Cl ZINC000508670672 1099159772 /nfs/dbraw/zinc/15/97/72/1099159772.db2.gz NBBFIDDTYKEDRY-MRXNPFEDSA-N 2 2 359.901 4.093 20 30 FIEDLP C=CCOc1ccc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1Cl ZINC000508670672 1099159787 /nfs/dbraw/zinc/15/97/87/1099159787.db2.gz NBBFIDDTYKEDRY-MRXNPFEDSA-N 2 2 359.901 4.093 20 30 FIEDLP C[C@H]1C[C@@H]([NH+](C)CC#Cc2ccc(F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000438453992 1100665676 /nfs/dbraw/zinc/66/56/76/1100665676.db2.gz INHFWGHMWUBERO-CVDCTZTESA-N 2 2 350.481 4.162 20 30 FIEDLP C[C@H]1C[C@@H]([NH+](C)CC#Cc2ccc(F)cc2)CC[N@H+]1Cc1ccccc1 ZINC000438453992 1100665678 /nfs/dbraw/zinc/66/56/78/1100665678.db2.gz INHFWGHMWUBERO-CVDCTZTESA-N 2 2 350.481 4.162 20 30 FIEDLP C[C@H]1C[C@@H]([N@H+](C)CC#Cc2ccc(F)cc2)CC[NH+]1Cc1ccccc1 ZINC000438453992 1100665683 /nfs/dbraw/zinc/66/56/83/1100665683.db2.gz INHFWGHMWUBERO-CVDCTZTESA-N 2 2 350.481 4.162 20 30 FIEDLP C[C@H]1C[C@@H]([N@@H+](C)CC#Cc2ccc(F)cc2)CC[NH+]1Cc1ccccc1 ZINC000438453992 1100665688 /nfs/dbraw/zinc/66/56/88/1100665688.db2.gz INHFWGHMWUBERO-CVDCTZTESA-N 2 2 350.481 4.162 20 30 FIEDLP Cc1[nH]c2ccc(C[NH2+]C3CC[NH+](Cc4ccc(C#N)cc4)CC3)cc2c1C ZINC000537295417 1101616503 /nfs/dbraw/zinc/61/65/03/1101616503.db2.gz MDNXETGJIARCKZ-UHFFFAOYSA-N 2 2 372.516 4.411 20 30 FIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C3(Cc4ccccc4)CCC3)CC2)cc1 ZINC000537449778 1101794161 /nfs/dbraw/zinc/79/41/61/1101794161.db2.gz LGIUPSLNRZUNRL-UHFFFAOYSA-N 2 2 359.517 4.278 20 30 FIEDLP C=CC[NH+]1CCC([NH2+][C@@H](c2ccc(Br)s2)C2CC2)CC1 ZINC000190602474 1104948333 /nfs/dbraw/zinc/94/83/33/1104948333.db2.gz VVFMQCPPTCVVIX-MRXNPFEDSA-N 2 2 355.345 4.202 20 30 FIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CC[C@H]3CCc4ccccc43)CC2)cc1 ZINC000449373504 1110046264 /nfs/dbraw/zinc/04/62/64/1110046264.db2.gz CEZHDNVSJALBKG-JOCHJYFZSA-N 2 2 359.517 4.232 20 30 FIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@H]3CSc4ccccc43)CC2)cc1 ZINC000449356980 1110048247 /nfs/dbraw/zinc/04/82/47/1110048247.db2.gz DDYAWWVPBNDUBD-IBGZPJMESA-N 2 2 363.530 4.002 20 30 FIEDLP C=CC[NH+]1CCC([NH2+][C@@H](CC)c2cc(F)cc(Br)c2)CC1 ZINC000538395546 1111123057 /nfs/dbraw/zinc/12/30/57/1111123057.db2.gz OPWGMCZJTQIGCO-KRWDZBQOSA-N 2 2 355.295 4.279 20 30 FIEDLP C[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccc(C#N)c(F)c1 ZINC000538507436 1111172907 /nfs/dbraw/zinc/17/29/07/1111172907.db2.gz DSXUXAZIPCQABI-QGZVFWFLSA-N 2 2 351.469 4.055 20 30 FIEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCCOc3c(Cl)c(Cl)ccc32)CC1 ZINC000482619138 1113311975 /nfs/dbraw/zinc/31/19/75/1113311975.db2.gz JYAMUMBUKHXNMZ-INIZCTEOSA-N 2 2 355.309 4.447 20 30 FIEDLP N#Cc1cccc(C2([NH2+][C@H]3CC[N@H+](Cc4ccccc4)C4(CC4)C3)CC2)c1 ZINC000592365903 1115283322 /nfs/dbraw/zinc/28/33/22/1115283322.db2.gz GZQRJFIPJAJTIQ-QFIPXVFZSA-N 2 2 357.501 4.334 20 30 FIEDLP N#Cc1cccc(C2([NH2+][C@H]3CC[N@@H+](Cc4ccccc4)C4(CC4)C3)CC2)c1 ZINC000592365903 1115283323 /nfs/dbraw/zinc/28/33/23/1115283323.db2.gz GZQRJFIPJAJTIQ-QFIPXVFZSA-N 2 2 357.501 4.334 20 30 FIEDLP Cc1cccc2[nH]c(C[NH2+]C3CC[NH+](Cc4cccc(C#N)c4)CC3)cc21 ZINC000594944675 1115501568 /nfs/dbraw/zinc/50/15/68/1115501568.db2.gz BARZFDZQJVETEK-UHFFFAOYSA-N 2 2 358.489 4.102 20 30 FIEDLP C[C@H]([NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)c1ccc(OCC#N)cc1 ZINC000152956129 1119552562 /nfs/dbraw/zinc/55/25/62/1119552562.db2.gz PWRZZHSKUAFRCQ-WMZHIEFXSA-N 2 2 363.505 4.294 20 30 FIEDLP C[C@H]([NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1)c1ccc(OCC#N)cc1 ZINC000152956129 1119552564 /nfs/dbraw/zinc/55/25/64/1119552564.db2.gz PWRZZHSKUAFRCQ-WMZHIEFXSA-N 2 2 363.505 4.294 20 30 FIEDLP N#CC(CC[NH+]1CCC(n2cc[nH+]c2)CC1)(c1ccccc1)c1ccccc1 ZINC000191537504 1119982375 /nfs/dbraw/zinc/98/23/75/1119982375.db2.gz UUIHFOZJEVIZOM-UHFFFAOYSA-N 2 2 370.500 4.420 20 30 FIEDLP CCCNc1ccc(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000193359849 1120133463 /nfs/dbraw/zinc/13/34/63/1120133463.db2.gz YPOITFLLIZAKSW-UHFFFAOYSA-N 2 2 362.521 4.134 20 30 FIEDLP COc1ccc([C@H](CCC#N)[NH2+]CCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000556064248 1122636033 /nfs/dbraw/zinc/63/60/33/1122636033.db2.gz YKLRSAILINIAPL-QHCPKHFHSA-N 2 2 363.505 4.078 20 30 FIEDLP COc1ccc([C@H](CCC#N)[NH2+]CCC[N@H+]2CCc3ccccc3C2)cc1 ZINC000556064248 1122636037 /nfs/dbraw/zinc/63/60/37/1122636037.db2.gz YKLRSAILINIAPL-QHCPKHFHSA-N 2 2 363.505 4.078 20 30 FIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]Cc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000181423470 1124917329 /nfs/dbraw/zinc/91/73/29/1124917329.db2.gz REWIKCQQPVOTTM-UHFFFAOYSA-N 2 2 373.422 4.331 20 30 FIEDLP Cc1c2ccccc2oc1C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181754198 1125130861 /nfs/dbraw/zinc/13/08/61/1125130861.db2.gz GHIQLXHDYBXMHC-UHFFFAOYSA-N 2 2 359.473 4.367 20 30 FIEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](c2ccccc2)c2ccc(OC)cc2)CC1 ZINC000180490036 1080504047 /nfs/dbraw/zinc/50/40/47/1080504047.db2.gz TYFITXMURVVQLO-QHCPKHFHSA-N 2 2 350.506 4.415 20 30 FIEDLP CC(C)[NH2+]C1CC[NH+](Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000179836483 1083699519 /nfs/dbraw/zinc/69/95/19/1083699519.db2.gz DZJUKPLIXFBQMF-UHFFFAOYSA-N 2 2 363.505 4.100 20 30 FIEDLP C=CCC[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccccc1 ZINC000448047749 1086458883 /nfs/dbraw/zinc/45/88/83/1086458883.db2.gz GIJWYIJLCPBHEP-HSZRJFAPSA-N 2 2 350.506 4.316 20 30 FIEDLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CC#Cc3ccc(F)cc3)C2)s1 ZINC000685412358 1087561631 /nfs/dbraw/zinc/56/16/31/1087561631.db2.gz DNWACAYLQRAWOL-IBGZPJMESA-N 2 2 356.510 4.001 20 30 FIEDLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC#Cc3ccc(F)cc3)C2)s1 ZINC000685412358 1087561634 /nfs/dbraw/zinc/56/16/34/1087561634.db2.gz DNWACAYLQRAWOL-IBGZPJMESA-N 2 2 356.510 4.001 20 30 FIEDLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CC#Cc3ccc(F)cc3)C2)s1 ZINC000685412358 1087561638 /nfs/dbraw/zinc/56/16/38/1087561638.db2.gz DNWACAYLQRAWOL-IBGZPJMESA-N 2 2 356.510 4.001 20 30 FIEDLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC#Cc3ccc(F)cc3)C2)s1 ZINC000685412358 1087561641 /nfs/dbraw/zinc/56/16/41/1087561641.db2.gz DNWACAYLQRAWOL-IBGZPJMESA-N 2 2 356.510 4.001 20 30 FIEDLP COc1cc(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)ccc1C#N ZINC000442885729 1092839422 /nfs/dbraw/zinc/83/94/22/1092839422.db2.gz OCUQFOUBZVUDKZ-AVRDEDQJSA-N 2 2 363.505 4.052 20 30 FIEDLP COc1cc(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)ccc1C#N ZINC000442885729 1092839434 /nfs/dbraw/zinc/83/94/34/1092839434.db2.gz OCUQFOUBZVUDKZ-AVRDEDQJSA-N 2 2 363.505 4.052 20 30 FIEDLP COc1cc(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)ccc1C#N ZINC000442885729 1092839444 /nfs/dbraw/zinc/83/94/44/1092839444.db2.gz OCUQFOUBZVUDKZ-AVRDEDQJSA-N 2 2 363.505 4.052 20 30 FIEDLP COc1cc(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)ccc1C#N ZINC000442885729 1092839456 /nfs/dbraw/zinc/83/94/56/1092839456.db2.gz OCUQFOUBZVUDKZ-AVRDEDQJSA-N 2 2 363.505 4.052 20 30 FIEDLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1ccc(C#N)cc1F ZINC000512627546 1093026702 /nfs/dbraw/zinc/02/67/02/1093026702.db2.gz AMJTTWHLZSBEJJ-NBQZKYEYSA-N 2 2 357.498 4.493 20 30 FIEDLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1ccc(C#N)cc1F ZINC000512627546 1093026716 /nfs/dbraw/zinc/02/67/16/1093026716.db2.gz AMJTTWHLZSBEJJ-NBQZKYEYSA-N 2 2 357.498 4.493 20 30 FIEDLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(C#N)cc1F ZINC000512659623 1093095763 /nfs/dbraw/zinc/09/57/63/1093095763.db2.gz ISXKQVLRUMWGFJ-DOTOQJQBSA-N 2 2 357.498 4.322 20 30 FIEDLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc(C#N)cc1F ZINC000512659623 1093095770 /nfs/dbraw/zinc/09/57/70/1093095770.db2.gz ISXKQVLRUMWGFJ-DOTOQJQBSA-N 2 2 357.498 4.322 20 30 FIEDLP CC1CC[NH+](CCc2cccc(NC(=O)[C@@H]3CCn4cc[nH+]c4C3)c2)CC1 ZINC000329083238 1094733103 /nfs/dbraw/zinc/73/31/03/1094733103.db2.gz FAEHJPBBOMGAKF-LJQANCHMSA-N 2 2 366.509 4.008 20 30 FIEDLP C=CCOc1ccc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000502317731 1095342054 /nfs/dbraw/zinc/34/20/54/1095342054.db2.gz GNOWCRPZEWLFOY-LJQANCHMSA-N 2 2 351.494 4.164 20 30 FIEDLP C=CCOc1ccc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000502317731 1095342072 /nfs/dbraw/zinc/34/20/72/1095342072.db2.gz GNOWCRPZEWLFOY-LJQANCHMSA-N 2 2 351.494 4.164 20 30 FIEDLP Cc1cccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000328654339 1104526201 /nfs/dbraw/zinc/52/62/01/1104526201.db2.gz LRWYDFHJGMXABY-MSOLQXFVSA-N 2 2 366.509 4.384 20 30 FIEDLP Cc1cccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000328654339 1104526211 /nfs/dbraw/zinc/52/62/11/1104526211.db2.gz LRWYDFHJGMXABY-MSOLQXFVSA-N 2 2 366.509 4.384 20 30 FIEDLP CC[NH+]1CCC([N@H+](C)CCC(C#N)(c2ccccc2)c2ccccc2)CC1 ZINC000444642726 1108059742 /nfs/dbraw/zinc/05/97/42/1108059742.db2.gz SFUZZGMGJFXZJU-UHFFFAOYSA-N 2 2 361.533 4.302 20 30 FIEDLP CC[NH+]1CCC([N@@H+](C)CCC(C#N)(c2ccccc2)c2ccccc2)CC1 ZINC000444642726 1108059760 /nfs/dbraw/zinc/05/97/60/1108059760.db2.gz SFUZZGMGJFXZJU-UHFFFAOYSA-N 2 2 361.533 4.302 20 30 FIEDLP C=CC[NH+]1CCC([NH2+][C@@H](Cc2ccccc2Br)C2CC2)CC1 ZINC000453105602 1108174381 /nfs/dbraw/zinc/17/43/81/1108174381.db2.gz XGADIDFAMQAIQO-IBGZPJMESA-N 2 2 363.343 4.010 20 30 FIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C3CCc4ccccc4CC3)CC2)cc1 ZINC000449588090 1110118984 /nfs/dbraw/zinc/11/89/84/1110118984.db2.gz IKBDVGKKICBVDZ-UHFFFAOYSA-N 2 2 359.517 4.060 20 30 FIEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)[C@H](C)Oc2ccc(Cl)cc2Cl)CC1 ZINC000482651186 1113323171 /nfs/dbraw/zinc/32/31/71/1113323171.db2.gz XHEBNCUTQLRUAH-KBPBESRZSA-N 2 2 357.325 4.389 20 30 FIEDLP CC(C)Oc1cccc(C[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)c1 ZINC000593693397 1115342978 /nfs/dbraw/zinc/34/29/78/1115342978.db2.gz XOFFEJFYBKZLNH-UHFFFAOYSA-N 2 2 363.505 4.100 20 30 FIEDLP Cn1cc[nH+]c1C[C@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1ccccc1 ZINC000594930315 1115491422 /nfs/dbraw/zinc/49/14/22/1115491422.db2.gz UICABYUUPCOKDV-NRFANRHFSA-N 2 2 356.473 4.049 20 30 FIEDLP Cc1ccc2cc(C[NH2+]C3CC[NH+](Cc4cccc(C#N)c4)CC3)[nH]c2c1 ZINC000594951719 1115501958 /nfs/dbraw/zinc/50/19/58/1115501958.db2.gz YFUOQGSCZCGMCB-UHFFFAOYSA-N 2 2 358.489 4.102 20 30 FIEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]CCc3cccc(Cl)c3)CC2)c1 ZINC000593695440 1115799258 /nfs/dbraw/zinc/79/92/58/1115799258.db2.gz PMAOUQNRGIFCHC-UHFFFAOYSA-N 2 2 353.897 4.008 20 30 FIEDLP Cc1cc(CC[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)ccc1Cl ZINC000462809778 1117780632 /nfs/dbraw/zinc/78/06/32/1117780632.db2.gz YMNUQAAILLPMPS-UHFFFAOYSA-N 2 2 367.924 4.317 20 30 FIEDLP Cc1cc(C)c(CC[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(C)c1 ZINC000540608925 1118148698 /nfs/dbraw/zinc/14/86/98/1118148698.db2.gz VVBWPALREIHSQN-UHFFFAOYSA-N 2 2 361.533 4.280 20 30 FIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@H]3CCCCC(F)(F)C3)CC2)cc1 ZINC000491599850 1118967603 /nfs/dbraw/zinc/96/76/03/1118967603.db2.gz VXMIUIZBSQJLKT-IBGZPJMESA-N 2 2 361.480 4.328 20 30 FIEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2cnn(-c3cccc(Cl)c3)c2C)CC1 ZINC000177904875 1119360211 /nfs/dbraw/zinc/36/02/11/1119360211.db2.gz UVPKBOBGEZNONM-OAHLLOKOSA-N 2 2 358.917 4.135 20 30 FIEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2sc(Cc3ccccc3)nc2C)CC1 ZINC000177909893 1119360641 /nfs/dbraw/zinc/36/06/41/1119360641.db2.gz KFWLYVZATOSTQM-MRXNPFEDSA-N 2 2 355.551 4.343 20 30 FIEDLP N#Cc1ccc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)c(Cl)c1 ZINC000312093066 1125269518 /nfs/dbraw/zinc/26/95/18/1125269518.db2.gz CVKIJVBXOIQTRT-PZJWPPBQSA-N 2 2 365.908 4.166 20 30 FIEDLP N#Cc1ccc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)c(Cl)c1 ZINC000312093066 1125269527 /nfs/dbraw/zinc/26/95/27/1125269527.db2.gz CVKIJVBXOIQTRT-PZJWPPBQSA-N 2 2 365.908 4.166 20 30 FIEDLP N#Cc1ccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c(Cl)c1 ZINC000312093066 1125269534 /nfs/dbraw/zinc/26/95/34/1125269534.db2.gz CVKIJVBXOIQTRT-PZJWPPBQSA-N 2 2 365.908 4.166 20 30 FIEDLP N#Cc1ccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)c(Cl)c1 ZINC000312093066 1125269538 /nfs/dbraw/zinc/26/95/38/1125269538.db2.gz CVKIJVBXOIQTRT-PZJWPPBQSA-N 2 2 365.908 4.166 20 30 FIEDLP CCCCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1(C)C ZINC000541909321 568216677 /nfs/dbraw/zinc/21/66/77/568216677.db2.gz GPMUMDPQXCCQMJ-FCHUYYIVSA-N 2 2 369.553 4.096 20 30 FIEDLP CCc1[nH+]c2ccccc2n1C1CC[NH+](Cc2ccc(C#N)c(OC)c2)CC1 ZINC000570203714 568461040 /nfs/dbraw/zinc/46/10/40/568461040.db2.gz IWBZKLVBDSVFOP-UHFFFAOYSA-N 2 2 374.488 4.316 20 30 FIEDLP CC(C)(C#N)c1ccc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000619722856 1125669439 /nfs/dbraw/zinc/66/94/39/1125669439.db2.gz DTTUVOWFLDSWKL-LJQANCHMSA-N 2 2 362.521 4.400 20 30 FIEDLP CC(C)(C#N)c1ccc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000619722856 1125669444 /nfs/dbraw/zinc/66/94/44/1125669444.db2.gz DTTUVOWFLDSWKL-LJQANCHMSA-N 2 2 362.521 4.400 20 30 FIEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2cc(Cl)c(OC)cc2OC)CC1 ZINC000153031251 1125723478 /nfs/dbraw/zinc/72/34/78/1125723478.db2.gz FNLQGTNYDJJNOR-AWEZNQCLSA-N 2 2 352.906 4.048 20 30 FIEDLP N#Cc1ccccc1COc1cccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)c1 ZINC000092659210 1083461464 /nfs/dbraw/zinc/46/14/64/1083461464.db2.gz JTVVJWIBLUWMGY-UHFFFAOYSA-N 2 2 372.472 4.171 20 30 FIEDLP N#Cc1cccc(COc2cccc(C[N@@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)c2)c1 ZINC000092073267 1084139601 /nfs/dbraw/zinc/13/96/01/1084139601.db2.gz MAWHYQNWOGTLLE-NRFANRHFSA-N 2 2 372.472 4.240 20 30 FIEDLP N#Cc1cccc(COc2cccc(C[N@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)c2)c1 ZINC000092073267 1084139616 /nfs/dbraw/zinc/13/96/16/1084139616.db2.gz MAWHYQNWOGTLLE-NRFANRHFSA-N 2 2 372.472 4.240 20 30 FIEDLP CCC(CC)[C@@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000181277594 1088294862 /nfs/dbraw/zinc/29/48/62/1088294862.db2.gz HQGCSLVFRQIXNY-PKTZIBPZSA-N 2 2 369.553 4.096 20 30 FIEDLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC#Cc1ccc(F)cc1 ZINC000549165335 1089086173 /nfs/dbraw/zinc/08/61/73/1089086173.db2.gz LCBSWVDVFRQOIO-QFIPXVFZSA-N 2 2 350.481 4.068 20 30 FIEDLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC#Cc1ccc(F)cc1 ZINC000549165335 1089086188 /nfs/dbraw/zinc/08/61/88/1089086188.db2.gz LCBSWVDVFRQOIO-QFIPXVFZSA-N 2 2 350.481 4.068 20 30 FIEDLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2ccc(C#N)cc2F)cc1F ZINC000512643076 1093056936 /nfs/dbraw/zinc/05/69/36/1093056936.db2.gz VKMMRNSQEYJHHU-ZDUSSCGKSA-N 2 2 352.388 4.181 20 30 FIEDLP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+](CC(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)C1)CCCC2 ZINC000330260644 1095439949 /nfs/dbraw/zinc/43/99/49/1095439949.db2.gz SUYCXLOJQINQNR-RNIPGJKVSA-N 2 2 372.557 4.098 20 30 FIEDLP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+](CC(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)C1)CCCC2 ZINC000330260644 1095439959 /nfs/dbraw/zinc/43/99/59/1095439959.db2.gz SUYCXLOJQINQNR-RNIPGJKVSA-N 2 2 372.557 4.098 20 30 FIEDLP C[N@H+](CC#Cc1cccc(Cl)c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000437581368 1100008761 /nfs/dbraw/zinc/00/87/61/1100008761.db2.gz RSDUMVLRWDOWRW-OAQYLSRUSA-N 2 2 352.909 4.145 20 30 FIEDLP C[N@@H+](CC#Cc1cccc(Cl)c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000437581368 1100008778 /nfs/dbraw/zinc/00/87/78/1100008778.db2.gz RSDUMVLRWDOWRW-OAQYLSRUSA-N 2 2 352.909 4.145 20 30 FIEDLP C[NH+](CC#Cc1cccc(Cl)c1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000437581368 1100008787 /nfs/dbraw/zinc/00/87/87/1100008787.db2.gz RSDUMVLRWDOWRW-OAQYLSRUSA-N 2 2 352.909 4.145 20 30 FIEDLP C[NH+](CC#Cc1cccc(Cl)c1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000437581368 1100008791 /nfs/dbraw/zinc/00/87/91/1100008791.db2.gz RSDUMVLRWDOWRW-OAQYLSRUSA-N 2 2 352.909 4.145 20 30 FIEDLP C=CC[NH+]1CCC([NH2+]Cc2cccc(OCCCc3ccccc3)c2)CC1 ZINC000517713008 1100625421 /nfs/dbraw/zinc/62/54/21/1100625421.db2.gz DZBJMXONIATDKF-UHFFFAOYSA-N 2 2 364.533 4.438 20 30 FIEDLP N#CC(CC[NH+]1CCC(c2[nH]cc[nH+]2)CC1)(c1ccccc1)c1ccccc1 ZINC000530463239 1107058501 /nfs/dbraw/zinc/05/85/01/1107058501.db2.gz DYMXGFMUZVVGMB-UHFFFAOYSA-N 2 2 370.500 4.489 20 30 FIEDLP Cc1ccc(CC[C@@H](C)[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)o1 ZINC000538393473 1111121575 /nfs/dbraw/zinc/12/15/75/1111121575.db2.gz LLWLLQYHLPQSLK-QGZVFWFLSA-N 2 2 351.494 4.035 20 30 FIEDLP CSCc1ccc(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000574062194 1115288895 /nfs/dbraw/zinc/28/88/95/1115288895.db2.gz MQEQENRYZMILDZ-UHFFFAOYSA-N 2 2 365.546 4.175 20 30 FIEDLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000594504465 1115452415 /nfs/dbraw/zinc/45/24/15/1115452415.db2.gz IWCILYXBYTYHHT-SFHVURJKSA-N 2 2 362.521 4.198 20 30 FIEDLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CCC(F)(F)CC1 ZINC000594516848 1115458868 /nfs/dbraw/zinc/45/88/68/1115458868.db2.gz GFGVRYCTRHDJDJ-MRXNPFEDSA-N 2 2 361.480 4.326 20 30 FIEDLP N#CC1(c2ccc(C[N@@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)cc2)CC1 ZINC000597128389 1115642266 /nfs/dbraw/zinc/64/22/66/1115642266.db2.gz CUVHOTYLSALNBO-LJQANCHMSA-N 2 2 360.505 4.154 20 30 FIEDLP N#CC1(c2ccc(C[N@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)cc2)CC1 ZINC000597128389 1115642267 /nfs/dbraw/zinc/64/22/67/1115642267.db2.gz CUVHOTYLSALNBO-LJQANCHMSA-N 2 2 360.505 4.154 20 30 FIEDLP CC(C)CCn1cccc1C[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593692621 1115795619 /nfs/dbraw/zinc/79/56/19/1115795619.db2.gz HECBACAXYXRSOE-UHFFFAOYSA-N 2 2 364.537 4.160 20 30 FIEDLP C[C@@H](CCCC(F)(F)F)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000463252670 1118062381 /nfs/dbraw/zinc/06/23/81/1118062381.db2.gz RYWVNGAHBYAFTL-HNNXBMFYSA-N 2 2 353.432 4.233 20 30 FIEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2cnn(-c3cc(C)ccc3C)c2C)CC1 ZINC000177905055 1119361013 /nfs/dbraw/zinc/36/10/13/1119361013.db2.gz FYCSMAOQQLAWLA-SFHVURJKSA-N 2 2 352.526 4.099 20 30 FIEDLP N#CCC[C@@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccccc1 ZINC000090664572 1125012620 /nfs/dbraw/zinc/01/26/20/1125012620.db2.gz NASILRZBDWVAJC-HSZRJFAPSA-N 2 2 365.496 4.467 20 30 FIEDLP Cc1[nH]c2ccccc2c1CC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181660037 1125096574 /nfs/dbraw/zinc/09/65/74/1125096574.db2.gz JDPOXVQRLVHWLS-UHFFFAOYSA-N 2 2 372.516 4.145 20 30 FIEDLP C[C@@H](C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)Sc1ccccc1 ZINC000181831861 1125149414 /nfs/dbraw/zinc/14/94/14/1125149414.db2.gz CETUCWNKLRWEEY-SFHVURJKSA-N 2 2 365.546 4.293 20 30 FIEDLP CCO[C@H](CC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CCCC1 ZINC000181850080 1125157521 /nfs/dbraw/zinc/15/75/21/1125157521.db2.gz UUFUWPSPBFDWHL-HSZRJFAPSA-N 2 2 369.553 4.098 20 30 FIEDLP CCS[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181865999 1125168267 /nfs/dbraw/zinc/16/82/67/1125168267.db2.gz VNEXVZQPYXEIRF-LEWJYISDSA-N 2 2 357.567 4.177 20 30 FIEDLP N#Cc1ccccc1COc1cccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000092073617 1084162317 /nfs/dbraw/zinc/16/23/17/1084162317.db2.gz PYJCZISCMFOZTB-HXUWFJFHSA-N 2 2 372.472 4.240 20 30 FIEDLP N#Cc1ccccc1COc1cccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000092073617 1084162324 /nfs/dbraw/zinc/16/23/24/1084162324.db2.gz PYJCZISCMFOZTB-HXUWFJFHSA-N 2 2 372.472 4.240 20 30 FIEDLP C[NH+](C)Cc1cnc(C[NH2+]Cc2ccc(-c3ccccc3C#N)cc2)s1 ZINC000511928025 1085992442 /nfs/dbraw/zinc/99/24/42/1085992442.db2.gz UHSCUKLKRJQBLH-UHFFFAOYSA-N 2 2 362.502 4.033 20 30 FIEDLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(C#N)cc1Cl ZINC000398053728 1093806587 /nfs/dbraw/zinc/80/65/87/1093806587.db2.gz YQGYYZPPVFNNBZ-IIBYNOLFSA-N 2 2 353.897 4.212 20 30 FIEDLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(C#N)cc1Cl ZINC000398053728 1093806591 /nfs/dbraw/zinc/80/65/91/1093806591.db2.gz YQGYYZPPVFNNBZ-IIBYNOLFSA-N 2 2 353.897 4.212 20 30 FIEDLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000329492086 1094936289 /nfs/dbraw/zinc/93/62/89/1094936289.db2.gz VYEJGURMDICPMV-RTBURBONSA-N 2 2 372.557 4.324 20 30 FIEDLP CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000329492086 1094936294 /nfs/dbraw/zinc/93/62/94/1094936294.db2.gz VYEJGURMDICPMV-RTBURBONSA-N 2 2 372.557 4.324 20 30 FIEDLP N#CCCC[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccccc1 ZINC000420974591 1095217994 /nfs/dbraw/zinc/21/79/94/1095217994.db2.gz ORQCFXVGZCOYRS-HSZRJFAPSA-N 2 2 363.505 4.044 20 30 FIEDLP C[C@@H](NC(=O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)c1ccc2c(c1)CCCC2 ZINC000329750002 1095248807 /nfs/dbraw/zinc/24/88/07/1095248807.db2.gz HVQZWZDTOYDVQZ-MRXNPFEDSA-N 2 2 366.509 4.186 20 30 FIEDLP Cc1c[nH+]ccc1OC1CC[NH+]([C@H](C)C(=O)NCC2CCCCC2)CC1 ZINC000330246624 1095433969 /nfs/dbraw/zinc/43/39/69/1095433969.db2.gz FGPIJXXAUFALKN-QGZVFWFLSA-N 2 2 359.514 4.159 20 30 FIEDLP N#Cc1ccc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c(Cl)c1 ZINC000503390217 1096377154 /nfs/dbraw/zinc/37/71/54/1096377154.db2.gz JRCOSVRLNJOVPK-QGZVFWFLSA-N 2 2 354.885 4.124 20 30 FIEDLP N#Cc1ccc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c(Cl)c1 ZINC000503390217 1096377161 /nfs/dbraw/zinc/37/71/61/1096377161.db2.gz JRCOSVRLNJOVPK-QGZVFWFLSA-N 2 2 354.885 4.124 20 30 FIEDLP Cc1cccc(C(C)(C)C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000537296409 1101618549 /nfs/dbraw/zinc/61/85/49/1101618549.db2.gz SRYNJWNDTQXGGQ-UHFFFAOYSA-N 2 2 361.533 4.399 20 30 FIEDLP N#CC1(c2ccccc2)CCC([NH2+]Cc2ccccc2-n2cc[nH+]c2)CC1 ZINC000507651375 1103574261 /nfs/dbraw/zinc/57/42/61/1103574261.db2.gz DWOPQOVMDPOTIF-UHFFFAOYSA-N 2 2 356.473 4.366 20 30 FIEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCCOc3c(Cl)c(Cl)ccc32)CC1 ZINC000482619139 1113312120 /nfs/dbraw/zinc/31/21/20/1113312120.db2.gz JYAMUMBUKHXNMZ-MRXNPFEDSA-N 2 2 355.309 4.447 20 30 FIEDLP N#CC[C@H]1CCC[N@@H+](Cc2ccc(F)c(C[NH+]3CCC[C@@H](CC#N)C3)c2)C1 ZINC000595623902 1115551658 /nfs/dbraw/zinc/55/16/58/1115551658.db2.gz YAFVEKKABCGERU-MOPGFXCFSA-N 2 2 368.500 4.077 20 30 FIEDLP N#CC[C@H]1CCC[N@H+](Cc2ccc(F)c(C[NH+]3CCC[C@@H](CC#N)C3)c2)C1 ZINC000595623902 1115551659 /nfs/dbraw/zinc/55/16/59/1115551659.db2.gz YAFVEKKABCGERU-MOPGFXCFSA-N 2 2 368.500 4.077 20 30 FIEDLP N#CC[C@H]1CCC[NH+](Cc2ccc(F)c(C[N@@H+]3CCC[C@@H](CC#N)C3)c2)C1 ZINC000595623902 1115551663 /nfs/dbraw/zinc/55/16/63/1115551663.db2.gz YAFVEKKABCGERU-MOPGFXCFSA-N 2 2 368.500 4.077 20 30 FIEDLP N#CC[C@H]1CCC[NH+](Cc2ccc(F)c(C[N@H+]3CCC[C@@H](CC#N)C3)c2)C1 ZINC000595623902 1115551666 /nfs/dbraw/zinc/55/16/66/1115551666.db2.gz YAFVEKKABCGERU-MOPGFXCFSA-N 2 2 368.500 4.077 20 30 FIEDLP C[N@H+](Cc1ccc(C2(C#N)CC2)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000597004270 1115632307 /nfs/dbraw/zinc/63/23/07/1115632307.db2.gz YNCLDDXUFVQJEF-UHFFFAOYSA-N 2 2 359.517 4.338 20 30 FIEDLP C[N@@H+](Cc1ccc(C2(C#N)CC2)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000597004270 1115632310 /nfs/dbraw/zinc/63/23/10/1115632310.db2.gz YNCLDDXUFVQJEF-UHFFFAOYSA-N 2 2 359.517 4.338 20 30 FIEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000593688287 1115793129 /nfs/dbraw/zinc/79/31/29/1115793129.db2.gz OCRNVSWWDOMMHI-UHFFFAOYSA-N 2 2 373.422 4.331 20 30 FIEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]C/C=C\c3ccc(F)c(F)c3)CC2)c1 ZINC000593693014 1115796219 /nfs/dbraw/zinc/79/62/19/1115796219.db2.gz LXJHNZJLEGRCBQ-DJWKRKHSSA-N 2 2 367.443 4.104 20 30 FIEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]Cc3ccc(F)c(Cl)c3)CC2)c1 ZINC000593693331 1115798320 /nfs/dbraw/zinc/79/83/20/1115798320.db2.gz UTRIBUSWWFMPGE-UHFFFAOYSA-N 2 2 357.860 4.105 20 30 FIEDLP CC(C)[C@@H](CC(F)(F)F)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000463259700 1118056827 /nfs/dbraw/zinc/05/68/27/1118056827.db2.gz AKODTSDLEHGZRE-GOSISDBHSA-N 2 2 353.432 4.089 20 30 FIEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2sc(-c3ccc(OC)cc3)nc2C)CC1 ZINC000177911172 1119360710 /nfs/dbraw/zinc/36/07/10/1119360710.db2.gz UXZVQJPPXCCGNZ-OAHLLOKOSA-N 2 2 371.550 4.428 20 30 FIEDLP C[NH+]1CCN(c2cccc(Cl)c2C=[NH+]Nc2ccc(Cl)cc2)CC1 ZINC000915933062 1121354272 /nfs/dbraw/zinc/35/42/72/1121354272.db2.gz KLZHRBGKBOCXNS-UHFFFAOYSA-N 2 2 363.292 4.191 20 30 FIEDLP FC(F)(F)c1ccc(C#CC[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246972602 1124578573 /nfs/dbraw/zinc/57/85/73/1124578573.db2.gz VNBLBNBXQCFRTQ-PXNSSMCTSA-N 2 2 362.439 4.006 20 30 FIEDLP FC(F)(F)c1ccc(C#CC[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246972602 1124578579 /nfs/dbraw/zinc/57/85/79/1124578579.db2.gz VNBLBNBXQCFRTQ-PXNSSMCTSA-N 2 2 362.439 4.006 20 30 FIEDLP FC(F)(F)c1ccc(C#CC[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000246972602 1124578584 /nfs/dbraw/zinc/57/85/84/1124578584.db2.gz VNBLBNBXQCFRTQ-PXNSSMCTSA-N 2 2 362.439 4.006 20 30 FIEDLP FC(F)(F)c1ccc(C#CC[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000246972602 1124578588 /nfs/dbraw/zinc/57/85/88/1124578588.db2.gz VNBLBNBXQCFRTQ-PXNSSMCTSA-N 2 2 362.439 4.006 20 30 FIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@H]3CCCc4ccccc43)CC2)cc1 ZINC000181430525 1124917294 /nfs/dbraw/zinc/91/72/94/1124917294.db2.gz ZGVGVVMUMHHTIC-JOCHJYFZSA-N 2 2 359.517 4.232 20 30 FIEDLP CCS[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000181855318 1125153644 /nfs/dbraw/zinc/15/36/44/1125153644.db2.gz QHAZVEVVMZGHIV-RTWAWAEBSA-N 2 2 357.567 4.177 20 30 FIEDLP C[C@@H]1CCc2ccccc2[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000541846853 567977142 /nfs/dbraw/zinc/97/71/42/567977142.db2.gz BKXKBYBWJWXTIP-HOYKHHGWSA-N 2 2 359.517 4.436 20 30 FIEDLP N#Cc1ccc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c(Cl)c1 ZINC000312093064 1082352069 /nfs/dbraw/zinc/35/20/69/1082352069.db2.gz CVKIJVBXOIQTRT-CTNGQTDRSA-N 2 2 365.908 4.166 20 30 FIEDLP N#Cc1ccc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c(Cl)c1 ZINC000312093064 1082352077 /nfs/dbraw/zinc/35/20/77/1082352077.db2.gz CVKIJVBXOIQTRT-CTNGQTDRSA-N 2 2 365.908 4.166 20 30 FIEDLP N#Cc1ccc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)c(Cl)c1 ZINC000312093064 1082352082 /nfs/dbraw/zinc/35/20/82/1082352082.db2.gz CVKIJVBXOIQTRT-CTNGQTDRSA-N 2 2 365.908 4.166 20 30 FIEDLP N#Cc1ccc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)c(Cl)c1 ZINC000312093064 1082352092 /nfs/dbraw/zinc/35/20/92/1082352092.db2.gz CVKIJVBXOIQTRT-CTNGQTDRSA-N 2 2 365.908 4.166 20 30 FIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]Cc3ccc(Cl)cc3F)CC2)cc1 ZINC000187581673 1083034039 /nfs/dbraw/zinc/03/40/39/1083034039.db2.gz QVDCLDIBFFMLHM-UHFFFAOYSA-N 2 2 357.860 4.105 20 30 FIEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000236662476 1083968134 /nfs/dbraw/zinc/96/81/34/1083968134.db2.gz AMHZEKDERPFMLR-UHFFFAOYSA-N 2 2 357.479 4.063 20 30 FIEDLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CC#Cc3ccc(F)cc3)C2)s1 ZINC000685412359 1087561780 /nfs/dbraw/zinc/56/17/80/1087561780.db2.gz DNWACAYLQRAWOL-LJQANCHMSA-N 2 2 356.510 4.001 20 30 FIEDLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CC#Cc3ccc(F)cc3)C2)s1 ZINC000685412359 1087561783 /nfs/dbraw/zinc/56/17/83/1087561783.db2.gz DNWACAYLQRAWOL-LJQANCHMSA-N 2 2 356.510 4.001 20 30 FIEDLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CC#Cc3ccc(F)cc3)C2)s1 ZINC000685412359 1087561785 /nfs/dbraw/zinc/56/17/85/1087561785.db2.gz DNWACAYLQRAWOL-LJQANCHMSA-N 2 2 356.510 4.001 20 30 FIEDLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CC#Cc3ccc(F)cc3)C2)s1 ZINC000685412359 1087561786 /nfs/dbraw/zinc/56/17/86/1087561786.db2.gz DNWACAYLQRAWOL-LJQANCHMSA-N 2 2 356.510 4.001 20 30 FIEDLP C[C@H]1C[C@@H](C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CC[N@@H+]1C ZINC000329706014 1088983000 /nfs/dbraw/zinc/98/30/00/1088983000.db2.gz JSUNFEZRTXZMEW-RDJZCZTQSA-N 2 2 352.482 4.205 20 30 FIEDLP C[C@H]1C[C@@H](C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CC[N@H+]1C ZINC000329706014 1088983005 /nfs/dbraw/zinc/98/30/05/1088983005.db2.gz JSUNFEZRTXZMEW-RDJZCZTQSA-N 2 2 352.482 4.205 20 30 FIEDLP CC(C)[NH2+]C1CC[NH+](Cc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000513102142 1093849319 /nfs/dbraw/zinc/84/93/19/1093849319.db2.gz WORJCJWHAIZCSZ-UHFFFAOYSA-N 2 2 363.505 4.100 20 30 FIEDLP CC[C@H]([NH2+][C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)c1ccc(C#N)cc1 ZINC000423380376 1096660667 /nfs/dbraw/zinc/66/06/67/1096660667.db2.gz YNMQHWROBRSAQK-YYWHXJBOSA-N 2 2 355.432 4.023 20 30 FIEDLP N#CC1(c2ccccc2)CCC([NH2+]C2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000507652577 1103576921 /nfs/dbraw/zinc/57/69/21/1103576921.db2.gz JABCUODVNUVXCB-UHFFFAOYSA-N 2 2 360.505 4.044 20 30 FIEDLP N#Cc1ccccc1COc1cccc(C[NH2+]CCCNc2cccc[nH+]2)c1 ZINC000530723162 1107287833 /nfs/dbraw/zinc/28/78/33/1107287833.db2.gz ZYBSEACBMZNJAK-UHFFFAOYSA-N 2 2 372.472 4.124 20 30 FIEDLP CC(C)[NH2+]C1CC[NH+](CCC(C#N)(c2ccccc2)c2ccccc2)CC1 ZINC000193070550 1107862743 /nfs/dbraw/zinc/86/27/43/1107862743.db2.gz MMCVRPCFEVDGPU-UHFFFAOYSA-N 2 2 361.533 4.349 20 30 FIEDLP Cc1cc([C@@H](C)[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)ccc1F ZINC000449373399 1110046862 /nfs/dbraw/zinc/04/68/62/1110046862.db2.gz RCBUCGRPRBHAGJ-QGZVFWFLSA-N 2 2 351.469 4.321 20 30 FIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CC[C@@H]3CCc4ccccc43)CC2)cc1 ZINC000449373506 1110046869 /nfs/dbraw/zinc/04/68/69/1110046869.db2.gz CEZHDNVSJALBKG-QFIPXVFZSA-N 2 2 359.517 4.232 20 30 FIEDLP C=CC[NH+]1CCC([NH2+][C@H](c2ccc(F)cc2)c2ccc(OC)cc2)CC1 ZINC000491035767 1114364497 /nfs/dbraw/zinc/36/44/97/1114364497.db2.gz KFMVFEGKMJAVTO-JOCHJYFZSA-N 2 2 354.469 4.164 20 30 FIEDLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000594504439 1115452400 /nfs/dbraw/zinc/45/24/00/1115452400.db2.gz IWCILYXBYTYHHT-GOSISDBHSA-N 2 2 362.521 4.198 20 30 FIEDLP Cc1oc2ccccc2c1CC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000463275304 1118074428 /nfs/dbraw/zinc/07/44/28/1118074428.db2.gz KKSPYWVSZSLNAX-UHFFFAOYSA-N 2 2 373.500 4.410 20 30 FIEDLP C[C@@H]([NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1)c1ccc(OCC#N)cc1 ZINC000152956015 1119552647 /nfs/dbraw/zinc/55/26/47/1119552647.db2.gz PWRZZHSKUAFRCQ-XXBNENTESA-N 2 2 363.505 4.294 20 30 FIEDLP C[C@@H]([NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1)c1ccc(OCC#N)cc1 ZINC000152956015 1119552649 /nfs/dbraw/zinc/55/26/49/1119552649.db2.gz PWRZZHSKUAFRCQ-XXBNENTESA-N 2 2 363.505 4.294 20 30 FIEDLP CC[C@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccc(OC)cc1 ZINC000181409699 1124905220 /nfs/dbraw/zinc/90/52/20/1124905220.db2.gz SXDVCAWFIYTYSL-QHCPKHFHSA-N 2 2 363.505 4.272 20 30 FIEDLP CC(C)Oc1ccc(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000181466175 1124958355 /nfs/dbraw/zinc/95/83/55/1124958355.db2.gz UJAQHGJKAXQWPC-UHFFFAOYSA-N 2 2 363.505 4.100 20 30 FIEDLP CCS[C@H]1CCCC[C@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181866057 1125168198 /nfs/dbraw/zinc/16/81/98/1125168198.db2.gz VNEXVZQPYXEIRF-RTWAWAEBSA-N 2 2 357.567 4.177 20 30 FIEDLP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000583113812 1086212872 /nfs/dbraw/zinc/21/28/72/1086212872.db2.gz SUSWAOGPOOJFSY-HSZRJFAPSA-N 2 2 356.473 4.360 20 30 FIEDLP C=CC[NH+]1CCC([NH2+][C@@H](CC)Cc2ccc(Br)cc2)CC1 ZINC000657876528 1087520236 /nfs/dbraw/zinc/52/02/36/1087520236.db2.gz XLECUZKXSRHJDJ-KRWDZBQOSA-N 2 2 351.332 4.010 20 30 FIEDLP C[C@@H]1C[C@@H]([NH+]2CCc3ccc(C#N)cc3C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168044110 1094886336 /nfs/dbraw/zinc/88/63/36/1094886336.db2.gz FKOMIPJOOCNFOH-NHKMSHSESA-N 2 2 359.517 4.358 20 30 FIEDLP C[C@@H]1C[C@@H]([NH+]2CCc3ccc(C#N)cc3C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168044110 1094886355 /nfs/dbraw/zinc/88/63/55/1094886355.db2.gz FKOMIPJOOCNFOH-NHKMSHSESA-N 2 2 359.517 4.358 20 30 FIEDLP C[C@@H]1C[C@@H]([N@@H+]2CCc3ccc(C#N)cc3C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168044110 1094886373 /nfs/dbraw/zinc/88/63/73/1094886373.db2.gz FKOMIPJOOCNFOH-NHKMSHSESA-N 2 2 359.517 4.358 20 30 FIEDLP C[C@@H]1C[C@@H]([N@H+]2CCc3ccc(C#N)cc3C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168044110 1094886384 /nfs/dbraw/zinc/88/63/84/1094886384.db2.gz FKOMIPJOOCNFOH-NHKMSHSESA-N 2 2 359.517 4.358 20 30 FIEDLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000329492084 1094936358 /nfs/dbraw/zinc/93/63/58/1094936358.db2.gz VYEJGURMDICPMV-RBUKOAKNSA-N 2 2 372.557 4.324 20 30 FIEDLP CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000329492084 1094936360 /nfs/dbraw/zinc/93/63/60/1094936360.db2.gz VYEJGURMDICPMV-RBUKOAKNSA-N 2 2 372.557 4.324 20 30 FIEDLP Cc1c[nH+]ccc1OC1CC[NH+]([C@H](C)C(=O)N[C@@H]2CCCC[C@H]2C)CC1 ZINC000330251110 1095435570 /nfs/dbraw/zinc/43/55/70/1095435570.db2.gz NGHSQTMQDBBFOG-SZVBFZGTSA-N 2 2 359.514 4.157 20 30 FIEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc(Oc3cc(F)cc(F)c3)cc2)CC1 ZINC000517561577 1100498548 /nfs/dbraw/zinc/49/85/48/1100498548.db2.gz KTHRUVXRYGPWJY-UHFFFAOYSA-N 2 2 358.432 4.497 20 30 FIEDLP COc1ccc(C#N)cc1C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000438449830 1100661638 /nfs/dbraw/zinc/66/16/38/1100661638.db2.gz MXXWIFUASGQIDL-PGRDOPGGSA-N 2 2 363.505 4.052 20 30 FIEDLP COc1ccc(C#N)cc1C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000438449830 1100661642 /nfs/dbraw/zinc/66/16/42/1100661642.db2.gz MXXWIFUASGQIDL-PGRDOPGGSA-N 2 2 363.505 4.052 20 30 FIEDLP COc1ccc(C#N)cc1C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000438449830 1100661644 /nfs/dbraw/zinc/66/16/44/1100661644.db2.gz MXXWIFUASGQIDL-PGRDOPGGSA-N 2 2 363.505 4.052 20 30 FIEDLP COc1ccc(C#N)cc1C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000438449830 1100661649 /nfs/dbraw/zinc/66/16/49/1100661649.db2.gz MXXWIFUASGQIDL-PGRDOPGGSA-N 2 2 363.505 4.052 20 30 FIEDLP COc1ccc(C#N)cc1C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000438449827 1100661760 /nfs/dbraw/zinc/66/17/60/1100661760.db2.gz MXXWIFUASGQIDL-AVRDEDQJSA-N 2 2 363.505 4.052 20 30 FIEDLP COc1ccc(C#N)cc1C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000438449827 1100661762 /nfs/dbraw/zinc/66/17/62/1100661762.db2.gz MXXWIFUASGQIDL-AVRDEDQJSA-N 2 2 363.505 4.052 20 30 FIEDLP COc1ccc(C#N)cc1C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000438449827 1100661767 /nfs/dbraw/zinc/66/17/67/1100661767.db2.gz MXXWIFUASGQIDL-AVRDEDQJSA-N 2 2 363.505 4.052 20 30 FIEDLP COc1ccc(C#N)cc1C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000438449827 1100661773 /nfs/dbraw/zinc/66/17/73/1100661773.db2.gz MXXWIFUASGQIDL-AVRDEDQJSA-N 2 2 363.505 4.052 20 30 FIEDLP C[C@@H]1C[C@H]([NH+](C)CC#Cc2ccc(F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000438453987 1100664790 /nfs/dbraw/zinc/66/47/90/1100664790.db2.gz INHFWGHMWUBERO-AUSIDOKSSA-N 2 2 350.481 4.162 20 30 FIEDLP C[C@@H]1C[C@H]([NH+](C)CC#Cc2ccc(F)cc2)CC[N@H+]1Cc1ccccc1 ZINC000438453987 1100664794 /nfs/dbraw/zinc/66/47/94/1100664794.db2.gz INHFWGHMWUBERO-AUSIDOKSSA-N 2 2 350.481 4.162 20 30 FIEDLP C[C@@H]1C[C@H]([N@H+](C)CC#Cc2ccc(F)cc2)CC[NH+]1Cc1ccccc1 ZINC000438453987 1100664798 /nfs/dbraw/zinc/66/47/98/1100664798.db2.gz INHFWGHMWUBERO-AUSIDOKSSA-N 2 2 350.481 4.162 20 30 FIEDLP C[C@@H]1C[C@H]([N@@H+](C)CC#Cc2ccc(F)cc2)CC[NH+]1Cc1ccccc1 ZINC000438453987 1100664802 /nfs/dbraw/zinc/66/48/02/1100664802.db2.gz INHFWGHMWUBERO-AUSIDOKSSA-N 2 2 350.481 4.162 20 30 FIEDLP C[C@H](Cc1ccc(Cl)cc1)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001168151990 1101374221 /nfs/dbraw/zinc/37/42/21/1101374221.db2.gz CECRFMMKVVKXIM-QGZVFWFLSA-N 2 2 367.924 4.397 20 30 FIEDLP C[C@@]1(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCCc2ccccc21 ZINC000537304507 1101629629 /nfs/dbraw/zinc/62/96/29/1101629629.db2.gz QEVFAGYMNIJWTR-VWLOTQADSA-N 2 2 373.544 4.406 20 30 FIEDLP CC[N@H+](CC#Cc1ccccc1Cl)CC1CCN(c2cccc[nH+]2)CC1 ZINC000441169668 1104179971 /nfs/dbraw/zinc/17/99/71/1104179971.db2.gz PEZDQJCLCVINBT-UHFFFAOYSA-N 2 2 367.924 4.325 20 30 FIEDLP CC[N@@H+](CC#Cc1ccccc1Cl)CC1CCN(c2cccc[nH+]2)CC1 ZINC000441169668 1104179973 /nfs/dbraw/zinc/17/99/73/1104179973.db2.gz PEZDQJCLCVINBT-UHFFFAOYSA-N 2 2 367.924 4.325 20 30 FIEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2ccc(Br)cc2F)CC1 ZINC000126774640 1104718010 /nfs/dbraw/zinc/71/80/10/1104718010.db2.gz FPLBVNSGDIOKQN-CYBMUJFWSA-N 2 2 355.295 4.279 20 30 FIEDLP FC(F)(F)c1ccc(C#CC[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246972583 1124576937 /nfs/dbraw/zinc/57/69/37/1124576937.db2.gz VNBLBNBXQCFRTQ-FXAWDEMLSA-N 2 2 362.439 4.006 20 30 FIEDLP FC(F)(F)c1ccc(C#CC[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246972583 1124576948 /nfs/dbraw/zinc/57/69/48/1124576948.db2.gz VNBLBNBXQCFRTQ-FXAWDEMLSA-N 2 2 362.439 4.006 20 30 FIEDLP FC(F)(F)c1ccc(C#CC[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000246972583 1124576954 /nfs/dbraw/zinc/57/69/54/1124576954.db2.gz VNBLBNBXQCFRTQ-FXAWDEMLSA-N 2 2 362.439 4.006 20 30 FIEDLP FC(F)(F)c1ccc(C#CC[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000246972583 1124576959 /nfs/dbraw/zinc/57/69/59/1124576959.db2.gz VNBLBNBXQCFRTQ-FXAWDEMLSA-N 2 2 362.439 4.006 20 30 FIEDLP FC(F)(F)c1ccc(C#CC[NH2+]C2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000090180648 1124987937 /nfs/dbraw/zinc/98/79/37/1124987937.db2.gz SSRKYPRNXYPDKQ-UHFFFAOYSA-N 2 2 364.455 4.444 20 30 FIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]Cc3ccc4ccccc4c3)CC2)cc1 ZINC000181588251 1125043914 /nfs/dbraw/zinc/04/39/14/1125043914.db2.gz DVKYZUXZANXDMI-UHFFFAOYSA-N 2 2 355.485 4.466 20 30 FIEDLP CCOc1cccc([C@H](C)[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000181625941 1125076593 /nfs/dbraw/zinc/07/65/93/1125076593.db2.gz GCGDSWXRYHEZFV-SFHVURJKSA-N 2 2 363.505 4.272 20 30 FIEDLP Cc1ccc(C[C@@H](C)[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000181778094 1125132154 /nfs/dbraw/zinc/13/21/54/1125132154.db2.gz XJQTYIADMMJRJJ-MRXNPFEDSA-N 2 2 353.535 4.113 20 30 FIEDLP N#Cc1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c(Cl)c1 ZINC000312093067 1125269271 /nfs/dbraw/zinc/26/92/71/1125269271.db2.gz CVKIJVBXOIQTRT-TZIWHRDSSA-N 2 2 365.908 4.166 20 30 FIEDLP N#Cc1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c(Cl)c1 ZINC000312093067 1125269275 /nfs/dbraw/zinc/26/92/75/1125269275.db2.gz CVKIJVBXOIQTRT-TZIWHRDSSA-N 2 2 365.908 4.166 20 30 FIEDLP N#Cc1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c(Cl)c1 ZINC000312093067 1125269278 /nfs/dbraw/zinc/26/92/78/1125269278.db2.gz CVKIJVBXOIQTRT-TZIWHRDSSA-N 2 2 365.908 4.166 20 30 FIEDLP N#Cc1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c(Cl)c1 ZINC000312093067 1125269279 /nfs/dbraw/zinc/26/92/79/1125269279.db2.gz CVKIJVBXOIQTRT-TZIWHRDSSA-N 2 2 365.908 4.166 20 30 FIEDLP CC(C)(C#N)c1ccc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000619722855 1125669679 /nfs/dbraw/zinc/66/96/79/1125669679.db2.gz DTTUVOWFLDSWKL-IBGZPJMESA-N 2 2 362.521 4.400 20 30 FIEDLP CC(C)(C#N)c1ccc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000619722855 1125669684 /nfs/dbraw/zinc/66/96/84/1125669684.db2.gz DTTUVOWFLDSWKL-IBGZPJMESA-N 2 2 362.521 4.400 20 30 FIEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](c2ccccc2)c2ccc(OC)cc2)CC1 ZINC000180490055 1080503965 /nfs/dbraw/zinc/50/39/65/1080503965.db2.gz TYFITXMURVVQLO-HSZRJFAPSA-N 2 2 350.506 4.415 20 30 FIEDLP CCOc1ccccc1C[N@H+](CCCn1cc[nH+]c1)Cc1cccc(C#N)c1 ZINC000071114611 1081889864 /nfs/dbraw/zinc/88/98/64/1081889864.db2.gz TVLVEUOUTOWHRL-UHFFFAOYSA-N 2 2 374.488 4.246 20 30 FIEDLP CCOc1ccccc1C[N@@H+](CCCn1cc[nH+]c1)Cc1cccc(C#N)c1 ZINC000071114611 1081889872 /nfs/dbraw/zinc/88/98/72/1081889872.db2.gz TVLVEUOUTOWHRL-UHFFFAOYSA-N 2 2 374.488 4.246 20 30 FIEDLP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000581046875 1084511214 /nfs/dbraw/zinc/51/12/14/1084511214.db2.gz BKQURYQOGVDQPL-HSZRJFAPSA-N 2 2 370.500 4.403 20 30 FIEDLP CC[C@@H](C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)CC(F)(F)F ZINC000414244038 1084898016 /nfs/dbraw/zinc/89/80/16/1084898016.db2.gz AJCAMAHUZLANJH-OAHLLOKOSA-N 2 2 353.432 4.091 20 30 FIEDLP Cc1cccc([C@H]2CCC[NH+]2CC#CC[N@H+]2CCC[C@@H]2c2cccc(C)n2)n1 ZINC000560159491 1085090474 /nfs/dbraw/zinc/09/04/74/1085090474.db2.gz QEYYPCGAFZJDGM-DNQXCXABSA-N 2 2 374.532 4.071 20 30 FIEDLP Cc1cccc([C@H]2CCC[NH+]2CC#CC[N@@H+]2CCC[C@@H]2c2cccc(C)n2)n1 ZINC000560159491 1085090488 /nfs/dbraw/zinc/09/04/88/1085090488.db2.gz QEYYPCGAFZJDGM-DNQXCXABSA-N 2 2 374.532 4.071 20 30 FIEDLP CC(C)(C#N)c1ccc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)cc1 ZINC000614182293 1093083581 /nfs/dbraw/zinc/08/35/81/1093083581.db2.gz LAOZDUWHXPIDLI-UHFFFAOYSA-N 2 2 350.510 4.377 20 30 FIEDLP Cc1c[nH+]ccc1OC1CC[NH+]([C@H](C)C(=O)NC2CCC(C)CC2)CC1 ZINC000330264283 1095439018 /nfs/dbraw/zinc/43/90/18/1095439018.db2.gz XSDMMAMKURKGAS-IIIMJFFVSA-N 2 2 359.514 4.157 20 30 FIEDLP Clc1ccc(C#CC[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000503402399 1096384942 /nfs/dbraw/zinc/38/49/42/1096384942.db2.gz ABFODGHMEXRLHH-SFHVURJKSA-N 2 2 353.897 4.104 20 30 FIEDLP Clc1ccc(C#CC[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000503402399 1096384950 /nfs/dbraw/zinc/38/49/50/1096384950.db2.gz ABFODGHMEXRLHH-SFHVURJKSA-N 2 2 353.897 4.104 20 30 FIEDLP C[C@@H]1C[C@@H]([NH+](C)CC#Cc2ccc(F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000438453996 1100665461 /nfs/dbraw/zinc/66/54/61/1100665461.db2.gz INHFWGHMWUBERO-XXBNENTESA-N 2 2 350.481 4.162 20 30 FIEDLP C[C@@H]1C[C@@H]([NH+](C)CC#Cc2ccc(F)cc2)CC[N@H+]1Cc1ccccc1 ZINC000438453996 1100665464 /nfs/dbraw/zinc/66/54/64/1100665464.db2.gz INHFWGHMWUBERO-XXBNENTESA-N 2 2 350.481 4.162 20 30 FIEDLP C[C@@H]1C[C@@H]([N@H+](C)CC#Cc2ccc(F)cc2)CC[NH+]1Cc1ccccc1 ZINC000438453996 1100665469 /nfs/dbraw/zinc/66/54/69/1100665469.db2.gz INHFWGHMWUBERO-XXBNENTESA-N 2 2 350.481 4.162 20 30 FIEDLP C[C@@H]1C[C@@H]([N@@H+](C)CC#Cc2ccc(F)cc2)CC[NH+]1Cc1ccccc1 ZINC000438453996 1100665473 /nfs/dbraw/zinc/66/54/73/1100665473.db2.gz INHFWGHMWUBERO-XXBNENTESA-N 2 2 350.481 4.162 20 30 FIEDLP N#CCCCOc1cccc(CN(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC000895111647 1105147247 /nfs/dbraw/zinc/14/72/47/1105147247.db2.gz RAMFIIMDJRXSDQ-MXVIHJGJSA-N 2 2 364.493 4.041 20 30 FIEDLP C=CCOc1ccc(C[NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)cc1OC ZINC000524460401 1109022834 /nfs/dbraw/zinc/02/28/34/1109022834.db2.gz PBYFMLFRWSGJMZ-OAQYLSRUSA-N 2 2 366.505 4.014 20 30 FIEDLP C=CCOc1ccc(C[NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)cc1OC ZINC000524460401 1109022838 /nfs/dbraw/zinc/02/28/38/1109022838.db2.gz PBYFMLFRWSGJMZ-OAQYLSRUSA-N 2 2 366.505 4.014 20 30 FIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@@H]3CSc4ccccc43)CC2)cc1 ZINC000449356981 1110048529 /nfs/dbraw/zinc/04/85/29/1110048529.db2.gz DDYAWWVPBNDUBD-LJQANCHMSA-N 2 2 363.530 4.002 20 30 FIEDLP C=CCCCC[C@H](C)[NH2+]C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000449524470 1110098893 /nfs/dbraw/zinc/09/88/93/1110098893.db2.gz NYZLCLSFJWNTMB-SFHVURJKSA-N 2 2 357.542 4.334 20 30 FIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CC[C@@H]4CCCC[C@H]4C3)CC2)cc1 ZINC000538399001 1111115224 /nfs/dbraw/zinc/11/52/24/1111115224.db2.gz YCQQQHKALXWQRJ-QNWVGRARSA-N 2 2 351.538 4.471 20 30 FIEDLP C=C(C)COc1cc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)ccc1OC ZINC000057968151 1115055359 /nfs/dbraw/zinc/05/53/59/1115055359.db2.gz FXFDRJBETVTSKC-UHFFFAOYSA-N 2 2 363.461 4.126 20 30 FIEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)CC1 ZINC000236690893 1120968694 /nfs/dbraw/zinc/96/86/94/1120968694.db2.gz ANNLORPCNLGIMO-UHFFFAOYSA-N 2 2 372.944 4.273 20 30 FIEDLP Cc1cc(C#N)cc(C)c1C[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000922076261 1125295040 /nfs/dbraw/zinc/29/50/40/1125295040.db2.gz IARCHYRKKUHZSJ-UHFFFAOYSA-N 2 2 365.443 4.070 20 30 FIEDLP C[C@H]1CCc2ccccc2[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000541846855 567964600 /nfs/dbraw/zinc/96/46/00/567964600.db2.gz BKXKBYBWJWXTIP-MHECFPHRSA-N 2 2 359.517 4.436 20 30 FIEDLP CC[N@H+](C[C@H](C)CCC#N)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000602477208 567984397 /nfs/dbraw/zinc/98/43/97/567984397.db2.gz ZEEPMWYFRCKWQM-QGZVFWFLSA-N 2 2 357.546 4.139 20 30 FIEDLP CC[N@@H+](C[C@H](C)CCC#N)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000602477208 567984398 /nfs/dbraw/zinc/98/43/98/567984398.db2.gz ZEEPMWYFRCKWQM-QGZVFWFLSA-N 2 2 357.546 4.139 20 30 FIEDLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000481763880 568119228 /nfs/dbraw/zinc/11/92/28/568119228.db2.gz WFQFUKOGUYNFOR-UHFFFAOYSA-N 2 2 372.472 4.096 20 30 FIEDLP N#C[C@H]1CCC[C@@H]([NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)C1 ZINC000511054316 1084429684 /nfs/dbraw/zinc/42/96/84/1084429684.db2.gz KTFAKVCWYKMYQH-KELGSRBJSA-N 2 2 359.517 4.327 20 30 FIEDLP N#C[C@H]1CCC[C@@H]([NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)C1 ZINC000511054316 1084429688 /nfs/dbraw/zinc/42/96/88/1084429688.db2.gz KTFAKVCWYKMYQH-KELGSRBJSA-N 2 2 359.517 4.327 20 30 FIEDLP FC(F)(F)c1ccc(C#CC[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000237870739 1085947379 /nfs/dbraw/zinc/94/73/79/1085947379.db2.gz JHUMUDDUKDIAPE-UHFFFAOYSA-N 2 2 355.363 4.032 20 30 FIEDLP C=CC[NH+]1CCC([NH2+][C@@H](c2cccc(OC(F)(F)F)c2)C2CC2)CC1 ZINC000584069100 1087153700 /nfs/dbraw/zinc/15/37/00/1087153700.db2.gz RZITWYNPHATCJG-GOSISDBHSA-N 2 2 354.416 4.276 20 30 FIEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(Br)c(Cl)c2)CC1 ZINC000657875799 1087518364 /nfs/dbraw/zinc/51/83/64/1087518364.db2.gz QBIHHOYLWPSYRA-LBPRGKRZSA-N 2 2 357.723 4.404 20 30 FIEDLP Cc1ccccc1C[NH+]1CCC([NH2+][C@H](C)c2ccc(C#N)cc2F)CC1 ZINC000512620869 1092999161 /nfs/dbraw/zinc/99/91/61/1092999161.db2.gz TVPZVICMQCRVET-QGZVFWFLSA-N 2 2 351.469 4.321 20 30 FIEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cc(-c3ccccc3)ccc2OC)CC1 ZINC000532300801 1094665986 /nfs/dbraw/zinc/66/59/86/1094665986.db2.gz KHRQWKRLGSQCSU-UHFFFAOYSA-N 2 2 350.506 4.492 20 30 FIEDLP C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000329370608 1094868286 /nfs/dbraw/zinc/86/82/86/1094868286.db2.gz LWHVUWYZOFGBIK-MJGOQNOKSA-N 2 2 372.557 4.324 20 30 FIEDLP C[C@@H]1CCCC[N@H+]1CCNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000329370608 1094868305 /nfs/dbraw/zinc/86/83/05/1094868305.db2.gz LWHVUWYZOFGBIK-MJGOQNOKSA-N 2 2 372.557 4.324 20 30 FIEDLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000330301557 1095477511 /nfs/dbraw/zinc/47/75/11/1095477511.db2.gz NWDLNRSEAFEQOY-HXUWFJFHSA-N 2 2 370.472 4.265 20 30 FIEDLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000330301557 1095477528 /nfs/dbraw/zinc/47/75/28/1095477528.db2.gz NWDLNRSEAFEQOY-HXUWFJFHSA-N 2 2 370.472 4.265 20 30 FIEDLP CC(C)(C#N)c1ccccc1C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503385612 1096376120 /nfs/dbraw/zinc/37/61/20/1096376120.db2.gz RRDZBDPLRIQJHC-IBGZPJMESA-N 2 2 362.521 4.400 20 30 FIEDLP CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503385612 1096376133 /nfs/dbraw/zinc/37/61/33/1096376133.db2.gz RRDZBDPLRIQJHC-IBGZPJMESA-N 2 2 362.521 4.400 20 30 FIEDLP Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000328654342 1104525597 /nfs/dbraw/zinc/52/55/97/1104525597.db2.gz LRWYDFHJGMXABY-ZWKOTPCHSA-N 2 2 366.509 4.384 20 30 FIEDLP Cc1cccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000328654342 1104525605 /nfs/dbraw/zinc/52/56/05/1104525605.db2.gz LRWYDFHJGMXABY-ZWKOTPCHSA-N 2 2 366.509 4.384 20 30 FIEDLP C=CCOc1cccc(C[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)c1 ZINC000475345366 1106745039 /nfs/dbraw/zinc/74/50/39/1106745039.db2.gz IRLVZMWUJYVJFV-UHFFFAOYSA-N 2 2 368.443 4.146 20 30 FIEDLP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(F)c(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000121373185 1107602441 /nfs/dbraw/zinc/60/24/41/1107602441.db2.gz CQPKPUAGSOBFAK-UWJYYQICSA-N 2 2 351.469 4.182 20 30 FIEDLP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(F)c(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000121373185 1107602465 /nfs/dbraw/zinc/60/24/65/1107602465.db2.gz CQPKPUAGSOBFAK-UWJYYQICSA-N 2 2 351.469 4.182 20 30 FIEDLP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(F)c(C#N)c2)CC[NH+]1Cc1ccccc1 ZINC000121373185 1107602471 /nfs/dbraw/zinc/60/24/71/1107602471.db2.gz CQPKPUAGSOBFAK-UWJYYQICSA-N 2 2 351.469 4.182 20 30 FIEDLP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(F)c(C#N)c2)CC[NH+]1Cc1ccccc1 ZINC000121373185 1107602480 /nfs/dbraw/zinc/60/24/80/1107602480.db2.gz CQPKPUAGSOBFAK-UWJYYQICSA-N 2 2 351.469 4.182 20 30 FIEDLP C=CC[NH+]1CCC([NH2+]Cc2cn(-c3ccc(C)cc3)nc2C(C)(C)C)CC1 ZINC000531835437 1108217802 /nfs/dbraw/zinc/21/78/02/1108217802.db2.gz QJAONHULKCXMNC-UHFFFAOYSA-N 2 2 366.553 4.218 20 30 FIEDLP C=CCC[C@@H](CCC)[NH2+]C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000449526710 1110100000 /nfs/dbraw/zinc/10/00/00/1110100000.db2.gz XPBGHGOZMQFMRE-HXUWFJFHSA-N 2 2 357.542 4.334 20 30 FIEDLP C=CC[NH+]1CCC([NH2+][C@H](Cc2ccc(F)cc2)c2ccc(OC)cc2)CC1 ZINC000482647310 1113320071 /nfs/dbraw/zinc/32/00/71/1113320071.db2.gz OATXJFQAEKWYKX-HSZRJFAPSA-N 2 2 368.496 4.358 20 30 FIEDLP C=C(C)C[NH+]1CCC(Nc2cc[nH+]c3c(Br)cccc23)CC1 ZINC000592109271 1115201567 /nfs/dbraw/zinc/20/15/67/1115201567.db2.gz XCEFAVQIRVUZBE-UHFFFAOYSA-N 2 2 360.299 4.450 20 30 FIEDLP FC(F)(F)c1ccc(C#CC[NH+]2CCC(Nc3cccc[nH+]3)CC2)cc1 ZINC000534861343 1116246310 /nfs/dbraw/zinc/24/63/10/1116246310.db2.gz QJXYLMAXFKYVKY-UHFFFAOYSA-N 2 2 359.395 4.028 20 30 FIEDLP C[C@H]([NH2+]CCSCc1ccccc1C#N)c1ccc(-n2cc[nH+]c2)cc1 ZINC000540175542 1117915928 /nfs/dbraw/zinc/91/59/28/1117915928.db2.gz HNUUUYGYYRPPMK-KRWDZBQOSA-N 2 2 362.502 4.328 20 30 FIEDLP C[C@@H]([NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)c1ccc(OCC#N)cc1 ZINC000152956227 1119552535 /nfs/dbraw/zinc/55/25/35/1119552535.db2.gz PWRZZHSKUAFRCQ-AUSIDOKSSA-N 2 2 363.505 4.294 20 30 FIEDLP C[C@@H]([NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1)c1ccc(OCC#N)cc1 ZINC000152956227 1119552539 /nfs/dbraw/zinc/55/25/39/1119552539.db2.gz PWRZZHSKUAFRCQ-AUSIDOKSSA-N 2 2 363.505 4.294 20 30 FIEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc(OCc3ccccc3)c(OC)c2)CC1 ZINC000237115619 1120973412 /nfs/dbraw/zinc/97/34/12/1120973412.db2.gz AIJFDXHRBQBRIQ-UHFFFAOYSA-N 2 2 366.505 4.014 20 30 FIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCc3ccc(Cl)cc3)CC2)cc1 ZINC000181391588 1124897400 /nfs/dbraw/zinc/89/74/00/1124897400.db2.gz HWJNTTDAFUOFJA-UHFFFAOYSA-N 2 2 353.897 4.008 20 30 FIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CCc4c3cccc4Cl)CC2)cc1 ZINC000181621252 1125070804 /nfs/dbraw/zinc/07/08/04/1125070804.db2.gz HRGIUSKTDBSIBE-QFIPXVFZSA-N 2 2 365.908 4.453 20 30 FIEDLP Cc1cccc2[nH]cc(CC[NH2+]C3CC[NH+](Cc4ccc(C#N)cc4)CC3)c21 ZINC000181681559 1125100154 /nfs/dbraw/zinc/10/01/54/1125100154.db2.gz DAIKINFUNCHSBK-UHFFFAOYSA-N 2 2 372.516 4.145 20 30 FIEDLP CC(C)(C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1cccs1 ZINC000181752729 1125123582 /nfs/dbraw/zinc/12/35/82/1125123582.db2.gz JXMNLVIVRCBRHO-UHFFFAOYSA-N 2 2 353.535 4.152 20 30 FIEDLP CC(C)(C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1cccc(F)c1 ZINC000181772704 1125128701 /nfs/dbraw/zinc/12/87/01/1125128701.db2.gz WQCFKNPKRYDZLA-UHFFFAOYSA-N 2 2 365.496 4.229 20 30 FIEDLP CCS[C@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181866017 1125168313 /nfs/dbraw/zinc/16/83/13/1125168313.db2.gz VNEXVZQPYXEIRF-SFTDATJTSA-N 2 2 357.567 4.177 20 30 FIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCCc3cccc(Cl)c3)CC2)cc1 ZINC000181925256 1125186696 /nfs/dbraw/zinc/18/66/96/1125186696.db2.gz VQRDWYIJORDRFF-UHFFFAOYSA-N 2 2 367.924 4.398 20 30 FIEDLP CC1(C#N)CC[NH+](CC(C[NH+]2CCC(C)(C#N)CC2)c2ccccc2)CC1 ZINC000602806661 568048842 /nfs/dbraw/zinc/04/88/42/568048842.db2.gz NWVPKHNENWSKQC-UHFFFAOYSA-N 2 2 364.537 4.022 20 30 FIEDLP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1(CC)CC ZINC000538396052 1084070344 /nfs/dbraw/zinc/07/03/44/1084070344.db2.gz NYWLFSRHGPJDIC-FCHUYYIVSA-N 2 2 369.553 4.096 20 30 FIEDLP CSCc1cccc(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000188722431 1087984105 /nfs/dbraw/zinc/98/41/05/1087984105.db2.gz SYLKHZCALMUMDM-UHFFFAOYSA-N 2 2 365.546 4.175 20 30 FIEDLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NC2CC[NH+](C3CCCCC3)CC2)c1 ZINC000329937498 1095320671 /nfs/dbraw/zinc/32/06/71/1095320671.db2.gz SAMJPZULOAWING-UHFFFAOYSA-N 2 2 366.509 4.282 20 30 FIEDLP N#Cc1csc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)c1 ZINC000536676710 1100168474 /nfs/dbraw/zinc/16/84/74/1100168474.db2.gz UGLYOJFLMBANFP-NRFANRHFSA-N 2 2 351.519 4.108 20 30 FIEDLP N#Cc1csc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)c1 ZINC000536676710 1100168486 /nfs/dbraw/zinc/16/84/86/1100168486.db2.gz UGLYOJFLMBANFP-NRFANRHFSA-N 2 2 351.519 4.108 20 30 FIEDLP N#Cc1csc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c1 ZINC000536676710 1100168498 /nfs/dbraw/zinc/16/84/98/1100168498.db2.gz UGLYOJFLMBANFP-NRFANRHFSA-N 2 2 351.519 4.108 20 30 FIEDLP N#Cc1csc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c1 ZINC000536676710 1100168513 /nfs/dbraw/zinc/16/85/13/1100168513.db2.gz UGLYOJFLMBANFP-NRFANRHFSA-N 2 2 351.519 4.108 20 30 FIEDLP C=CC[NH+]1CCC([NH2+]Cc2cc(OC)c(OC)cc2-c2ccccc2)CC1 ZINC000237337132 1102964391 /nfs/dbraw/zinc/96/43/91/1102964391.db2.gz JHKCSCOTUFDAMR-UHFFFAOYSA-N 2 2 366.505 4.111 20 30 FIEDLP C[C@H](C(=O)NC1CCCCC1)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000328652838 1104524314 /nfs/dbraw/zinc/52/43/14/1104524314.db2.gz KRTOTAGBHRBTJV-SJORKVTESA-N 2 2 358.530 4.077 20 30 FIEDLP C[C@H](C(=O)NC1CCCCC1)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000328652838 1104524320 /nfs/dbraw/zinc/52/43/20/1104524320.db2.gz KRTOTAGBHRBTJV-SJORKVTESA-N 2 2 358.530 4.077 20 30 FIEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]Cc3cccc(C(F)(F)F)c3)CC2)c1 ZINC000593687636 1115793019 /nfs/dbraw/zinc/79/30/19/1115793019.db2.gz KULMOWNNZLOPSH-UHFFFAOYSA-N 2 2 373.422 4.331 20 30 FIEDLP Cc1ccc(C(C)(C)C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000540596124 1118140068 /nfs/dbraw/zinc/14/00/68/1118140068.db2.gz OCNQMKHFXMQHGO-UHFFFAOYSA-N 2 2 361.533 4.399 20 30 FIEDLP Cc1ccccc1C(C)(C)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000540596699 1118140494 /nfs/dbraw/zinc/14/04/94/1118140494.db2.gz XTPYOCJKTNSHPY-UHFFFAOYSA-N 2 2 361.533 4.399 20 30 FIEDLP CC[N@H+](CCC(C)(C)C#N)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000540666332 1118180191 /nfs/dbraw/zinc/18/01/91/1118180191.db2.gz CNVZFUOTVYFBNV-UHFFFAOYSA-N 2 2 357.546 4.139 20 30 FIEDLP CC[N@@H+](CCC(C)(C)C#N)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000540666332 1118180192 /nfs/dbraw/zinc/18/01/92/1118180192.db2.gz CNVZFUOTVYFBNV-UHFFFAOYSA-N 2 2 357.546 4.139 20 30 FIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]Cc3ccc(C4CC4)cc3F)CC2)cc1 ZINC000491580178 1118963771 /nfs/dbraw/zinc/96/37/71/1118963771.db2.gz YKTKVPVZWVOALW-UHFFFAOYSA-N 2 2 363.480 4.329 20 30 FIEDLP C=CC[NH+]1CCC([NH2+]Cc2cc(Cl)ccc2OCc2cccnc2)CC1 ZINC000237762520 1124056895 /nfs/dbraw/zinc/05/68/95/1124056895.db2.gz FBXYIXGVDVUSPE-UHFFFAOYSA-N 2 2 371.912 4.054 20 30 FIEDLP C[NH+](C)CC1CC[NH+](c2ccc(Nc3ccc(Cl)c(C#N)n3)cc2)CC1 ZINC000301500578 1124236749 /nfs/dbraw/zinc/23/67/49/1124236749.db2.gz APRWMBQIOVPRTE-UHFFFAOYSA-N 2 2 369.900 4.128 20 30 FIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CCCOc4ccccc43)CC2)cc1 ZINC000181642968 1125086046 /nfs/dbraw/zinc/08/60/46/1125086046.db2.gz ZJSLNNBTGORBEC-QFIPXVFZSA-N 2 2 361.489 4.026 20 30 FIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]Cc3ccc(F)c(Cl)c3)CC2)cc1 ZINC000181652432 1125090852 /nfs/dbraw/zinc/09/08/52/1125090852.db2.gz IFGRVXKLJJNFEE-UHFFFAOYSA-N 2 2 357.860 4.105 20 30 FIEDLP CCS[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000181855300 1125154142 /nfs/dbraw/zinc/15/41/42/1125154142.db2.gz QHAZVEVVMZGHIV-NHCUHLMSSA-N 2 2 357.567 4.177 20 30 FIEDLP C[N@H+](Cc1ccccc1C[NH2+]Cc1nc(C#N)cs1)C1CCCCC1 ZINC000569746408 568414693 /nfs/dbraw/zinc/41/46/93/568414693.db2.gz MRZSBTOXTOYBFE-UHFFFAOYSA-N 2 2 354.523 4.069 20 30 FIEDLP C[N@@H+](Cc1ccccc1C[NH2+]Cc1nc(C#N)cs1)C1CCCCC1 ZINC000569746408 568414695 /nfs/dbraw/zinc/41/46/95/568414695.db2.gz MRZSBTOXTOYBFE-UHFFFAOYSA-N 2 2 354.523 4.069 20 30 FIEDLP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000569989187 568446757 /nfs/dbraw/zinc/44/67/57/568446757.db2.gz JUWDOOOPPHVDCM-QHCPKHFHSA-N 2 2 356.473 4.360 20 30 FIEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2cc(Cl)c(OC)cc2OC)CC1 ZINC000153031346 1125723741 /nfs/dbraw/zinc/72/37/41/1125723741.db2.gz FNLQGTNYDJJNOR-CQSZACIVSA-N 2 2 352.906 4.048 20 30 FIEDLP C=CCCCCCCCC[NH+]1C[C@@H]2C[N@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001209442306 1080702677 /nfs/dbraw/zinc/70/26/77/1080702677.db2.gz FEQKJOUYUKSKIC-FGZHOGPDSA-N 2 2 358.574 4.091 20 30 FIEDLP C=CCCCCCCCC[NH+]1C[C@@H]2C[N@@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001209442306 1080702691 /nfs/dbraw/zinc/70/26/91/1080702691.db2.gz FEQKJOUYUKSKIC-FGZHOGPDSA-N 2 2 358.574 4.091 20 30 FIEDLP C=CCCCCCCCC[N@@H+]1C[C@@H]2C[NH+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001209442306 1080702705 /nfs/dbraw/zinc/70/27/05/1080702705.db2.gz FEQKJOUYUKSKIC-FGZHOGPDSA-N 2 2 358.574 4.091 20 30 FIEDLP C=CCCCCCCCC[N@H+]1C[C@@H]2C[NH+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001209442306 1080702720 /nfs/dbraw/zinc/70/27/20/1080702720.db2.gz FEQKJOUYUKSKIC-FGZHOGPDSA-N 2 2 358.574 4.091 20 30 FIEDLP CCCOC1(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCCCC1 ZINC000584497146 1084004451 /nfs/dbraw/zinc/00/44/51/1084004451.db2.gz KQCKRHTUFRLTFR-UHFFFAOYSA-N 2 2 369.553 4.242 20 30 FIEDLP Clc1cccc(C#CC[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000434744119 1089013929 /nfs/dbraw/zinc/01/39/29/1089013929.db2.gz SHKWRGJPWPYQHN-UHFFFAOYSA-N 2 2 353.897 4.104 20 30 FIEDLP C[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccc(C#N)cc1F ZINC000512662211 1093101215 /nfs/dbraw/zinc/10/12/15/1093101215.db2.gz WIEZPGBIKMOBRL-QGZVFWFLSA-N 2 2 351.469 4.055 20 30 FIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]Cc3ccc(C(F)F)cc3)CC2)cc1 ZINC000184987517 1093190727 /nfs/dbraw/zinc/19/07/27/1093190727.db2.gz HBCFLGCDLJPELE-UHFFFAOYSA-N 2 2 355.432 4.250 20 30 FIEDLP C=CCOc1cccc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000502320860 1095346278 /nfs/dbraw/zinc/34/62/78/1095346278.db2.gz NCBOAQGXINIUCV-LJQANCHMSA-N 2 2 351.494 4.164 20 30 FIEDLP C=CCOc1cccc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000502320860 1095346286 /nfs/dbraw/zinc/34/62/86/1095346286.db2.gz NCBOAQGXINIUCV-LJQANCHMSA-N 2 2 351.494 4.164 20 30 FIEDLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000330301556 1095476835 /nfs/dbraw/zinc/47/68/35/1095476835.db2.gz NWDLNRSEAFEQOY-FQEVSTJZSA-N 2 2 370.472 4.265 20 30 FIEDLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000330301556 1095476843 /nfs/dbraw/zinc/47/68/43/1095476843.db2.gz NWDLNRSEAFEQOY-FQEVSTJZSA-N 2 2 370.472 4.265 20 30 FIEDLP CC[C@H]([NH2+][C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)c1ccc(C#N)cc1 ZINC000423380375 1096660798 /nfs/dbraw/zinc/66/07/98/1096660798.db2.gz YNMQHWROBRSAQK-QMMLZNLJSA-N 2 2 355.432 4.023 20 30 FIEDLP C[C@H]1C[C@H]([NH+](C)CC#Cc2ccc(F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000438453993 1100665890 /nfs/dbraw/zinc/66/58/90/1100665890.db2.gz INHFWGHMWUBERO-WMZHIEFXSA-N 2 2 350.481 4.162 20 30 FIEDLP C[C@H]1C[C@H]([NH+](C)CC#Cc2ccc(F)cc2)CC[N@H+]1Cc1ccccc1 ZINC000438453993 1100665894 /nfs/dbraw/zinc/66/58/94/1100665894.db2.gz INHFWGHMWUBERO-WMZHIEFXSA-N 2 2 350.481 4.162 20 30 FIEDLP C[C@H]1C[C@H]([N@H+](C)CC#Cc2ccc(F)cc2)CC[NH+]1Cc1ccccc1 ZINC000438453993 1100665897 /nfs/dbraw/zinc/66/58/97/1100665897.db2.gz INHFWGHMWUBERO-WMZHIEFXSA-N 2 2 350.481 4.162 20 30 FIEDLP C[C@H]1C[C@H]([N@@H+](C)CC#Cc2ccc(F)cc2)CC[NH+]1Cc1ccccc1 ZINC000438453993 1100665900 /nfs/dbraw/zinc/66/59/00/1100665900.db2.gz INHFWGHMWUBERO-WMZHIEFXSA-N 2 2 350.481 4.162 20 30 FIEDLP C[N@H+](CC#Cc1cccc(Cl)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000440450062 1102416887 /nfs/dbraw/zinc/41/68/87/1102416887.db2.gz SKUCMDLLUVVDKN-UHFFFAOYSA-N 2 2 352.909 4.288 20 30 FIEDLP C[N@@H+](CC#Cc1cccc(Cl)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000440450062 1102416892 /nfs/dbraw/zinc/41/68/92/1102416892.db2.gz SKUCMDLLUVVDKN-UHFFFAOYSA-N 2 2 352.909 4.288 20 30 FIEDLP Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000328654341 1104525328 /nfs/dbraw/zinc/52/53/28/1104525328.db2.gz LRWYDFHJGMXABY-ROUUACIJSA-N 2 2 366.509 4.384 20 30 FIEDLP Cc1cccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000328654341 1104525334 /nfs/dbraw/zinc/52/53/34/1104525334.db2.gz LRWYDFHJGMXABY-ROUUACIJSA-N 2 2 366.509 4.384 20 30 FIEDLP C[C@H]1C[C@H]([NH+](C)CCC(C#N)(c2ccccc2)c2ccccc2)CC[N@@H+]1C 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/nfs/dbraw/zinc/57/29/14/1115572914.db2.gz DMLBGWLFKCSERX-UHFFFAOYSA-N 2 2 353.432 4.091 20 30 FIEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCc3c2cc(Cl)cc3Br)CC1 ZINC000534793504 1116237225 /nfs/dbraw/zinc/23/72/25/1116237225.db2.gz XQCWFBRNJINCCR-KRWDZBQOSA-N 2 2 369.734 4.330 20 30 FIEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCc3c2cc(Br)cc3Cl)CC1 ZINC000535505993 1116315606 /nfs/dbraw/zinc/31/56/06/1116315606.db2.gz ADFUZTUEQGTWKG-KRWDZBQOSA-N 2 2 369.734 4.330 20 30 FIEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCCc3nc(-c4ccccc4)sc32)CC1 ZINC000177905903 1119360852 /nfs/dbraw/zinc/36/08/52/1119360852.db2.gz QOORYMPPHVOIQT-SFHVURJKSA-N 2 2 353.535 4.428 20 30 FIEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000236691511 1120968786 /nfs/dbraw/zinc/96/87/86/1120968786.db2.gz NADNOJSCVCLLPU-UHFFFAOYSA-N 2 2 371.506 4.453 20 30 FIEDLP CCOc1ccc(/C=[NH+]\CC2CC[NH+](Cc3ccccc3)CC2)c(O)c1 ZINC000920386970 1123450531 /nfs/dbraw/zinc/45/05/31/1123450531.db2.gz IOLABJWSCLOPKV-KQWNVCNZSA-N 2 2 352.478 4.122 20 30 FIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CC3(c4ccccc4)CCC3)CC2)cc1 ZINC000181445987 1124933628 /nfs/dbraw/zinc/93/36/28/1124933628.db2.gz AZDFUHIVKCHYCN-UHFFFAOYSA-N 2 2 359.517 4.234 20 30 FIEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](COC)c2cccc(C(F)(F)F)c2)CC1 ZINC000153007882 1125715243 /nfs/dbraw/zinc/71/52/43/1125715243.db2.gz SWSKUQHSALWYSL-GOSISDBHSA-N 2 2 356.432 4.023 20 30 FIEDLP COc1ccc(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)cc1C#N ZINC000610994708 1083946438 /nfs/dbraw/zinc/94/64/38/1083946438.db2.gz NJSYGEDGMQNNEI-PGRDOPGGSA-N 2 2 363.505 4.052 20 30 FIEDLP COc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)cc1C#N ZINC000610994708 1083946442 /nfs/dbraw/zinc/94/64/42/1083946442.db2.gz NJSYGEDGMQNNEI-PGRDOPGGSA-N 2 2 363.505 4.052 20 30 FIEDLP COc1ccc(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1C#N ZINC000610994708 1083946444 /nfs/dbraw/zinc/94/64/44/1083946444.db2.gz NJSYGEDGMQNNEI-PGRDOPGGSA-N 2 2 363.505 4.052 20 30 FIEDLP 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QMHINCCPWLPBNM-RXULLKCLSA-N 2 2 357.473 4.099 20 30 FIEDLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(C#N)cc1F ZINC000512635340 1093051294 /nfs/dbraw/zinc/05/12/94/1093051294.db2.gz GUHXSIKGRLDOQX-HOIFWPIMSA-N 2 2 351.469 4.259 20 30 FIEDLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(C#N)cc1F ZINC000512635340 1093051302 /nfs/dbraw/zinc/05/13/02/1093051302.db2.gz GUHXSIKGRLDOQX-HOIFWPIMSA-N 2 2 351.469 4.259 20 30 FIEDLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccc(C#N)cc1F ZINC000512635344 1093051399 /nfs/dbraw/zinc/05/13/99/1093051399.db2.gz GUHXSIKGRLDOQX-HYFFOGBASA-N 2 2 351.469 4.259 20 30 FIEDLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccc(C#N)cc1F ZINC000512635344 1093051401 /nfs/dbraw/zinc/05/14/01/1093051401.db2.gz GUHXSIKGRLDOQX-HYFFOGBASA-N 2 2 351.469 4.259 20 30 FIEDLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc(C#N)cc1F ZINC000512655814 1093089748 /nfs/dbraw/zinc/08/97/48/1093089748.db2.gz WRWOQUCAZGOWNL-ABSDTBQOSA-N 2 2 351.469 4.401 20 30 FIEDLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc(C#N)cc1F ZINC000512655814 1093089755 /nfs/dbraw/zinc/08/97/55/1093089755.db2.gz WRWOQUCAZGOWNL-ABSDTBQOSA-N 2 2 351.469 4.401 20 30 FIEDLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(C#N)cc1F ZINC000512659626 1093094996 /nfs/dbraw/zinc/09/49/96/1093094996.db2.gz ISXKQVLRUMWGFJ-WBVHZDCISA-N 2 2 357.498 4.322 20 30 FIEDLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc(C#N)cc1F ZINC000512659626 1093095001 /nfs/dbraw/zinc/09/50/01/1093095001.db2.gz ISXKQVLRUMWGFJ-WBVHZDCISA-N 2 2 357.498 4.322 20 30 FIEDLP C=CC[NH+]1CCC([NH2+]Cc2cc(Cl)c(OCCC)c(OCC)c2)CC1 ZINC000237018112 1093374765 /nfs/dbraw/zinc/37/47/65/1093374765.db2.gz BLBOWTIVHXLLMU-UHFFFAOYSA-N 2 2 366.933 4.268 20 30 FIEDLP C[C@H]1CC[N@H+](CC(=O)Nc2ccccc2C(C)(C)C)C[C@H]1n1cc[nH+]c1 ZINC000329196550 1094776390 /nfs/dbraw/zinc/77/63/90/1094776390.db2.gz TVTHFFFZTHWOJO-QFBILLFUSA-N 2 2 354.498 4.352 20 30 FIEDLP C[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2C(C)(C)C)C[C@H]1n1cc[nH+]c1 ZINC000329196550 1094776392 /nfs/dbraw/zinc/77/63/92/1094776392.db2.gz TVTHFFFZTHWOJO-QFBILLFUSA-N 2 2 354.498 4.352 20 30 FIEDLP C=CCOc1ccc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000502317730 1095341515 /nfs/dbraw/zinc/34/15/15/1095341515.db2.gz GNOWCRPZEWLFOY-IBGZPJMESA-N 2 2 351.494 4.164 20 30 FIEDLP C=CCOc1ccc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000502317730 1095341530 /nfs/dbraw/zinc/34/15/30/1095341530.db2.gz GNOWCRPZEWLFOY-IBGZPJMESA-N 2 2 351.494 4.164 20 30 FIEDLP N#Cc1ccc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c(Cl)c1 ZINC000503390216 1096376856 /nfs/dbraw/zinc/37/68/56/1096376856.db2.gz JRCOSVRLNJOVPK-KRWDZBQOSA-N 2 2 354.885 4.124 20 30 FIEDLP N#Cc1ccc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c(Cl)c1 ZINC000503390216 1096376867 /nfs/dbraw/zinc/37/68/67/1096376867.db2.gz JRCOSVRLNJOVPK-KRWDZBQOSA-N 2 2 354.885 4.124 20 30 FIEDLP C[C@@H](Cc1ccc(Cl)cc1)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001168151989 1101374312 /nfs/dbraw/zinc/37/43/12/1101374312.db2.gz CECRFMMKVVKXIM-KRWDZBQOSA-N 2 2 367.924 4.397 20 30 FIEDLP C[N@H+](CC#Cc1ccc(Cl)cc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000426459759 1101662167 /nfs/dbraw/zinc/66/21/67/1101662167.db2.gz LISRSTWDIDDHCV-NRFANRHFSA-N 2 2 352.909 4.145 20 30 FIEDLP C[N@@H+](CC#Cc1ccc(Cl)cc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000426459759 1101662182 /nfs/dbraw/zinc/66/21/82/1101662182.db2.gz LISRSTWDIDDHCV-NRFANRHFSA-N 2 2 352.909 4.145 20 30 FIEDLP C[NH+](CC#Cc1ccc(Cl)cc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000426459759 1101662192 /nfs/dbraw/zinc/66/21/92/1101662192.db2.gz LISRSTWDIDDHCV-NRFANRHFSA-N 2 2 352.909 4.145 20 30 FIEDLP C[NH+](CC#Cc1ccc(Cl)cc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000426459759 1101662202 /nfs/dbraw/zinc/66/22/02/1101662202.db2.gz LISRSTWDIDDHCV-NRFANRHFSA-N 2 2 352.909 4.145 20 30 FIEDLP C[C@H](C(=O)NCC1CCCCC1)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000328659757 1104526873 /nfs/dbraw/zinc/52/68/73/1104526873.db2.gz UCPWIRAQAITXAX-MJGOQNOKSA-N 2 2 372.557 4.324 20 30 FIEDLP C[C@H](C(=O)NCC1CCCCC1)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000328659757 1104526881 /nfs/dbraw/zinc/52/68/81/1104526881.db2.gz UCPWIRAQAITXAX-MJGOQNOKSA-N 2 2 372.557 4.324 20 30 FIEDLP Cc1oc2ccccc2c1C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000184720523 1104990670 /nfs/dbraw/zinc/99/06/70/1104990670.db2.gz FTYKNEAVUCTTQK-UHFFFAOYSA-N 2 2 359.473 4.367 20 30 FIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]Cc3cc(C4CC4)ccc3F)CC2)cc1 ZINC000449374156 1110046734 /nfs/dbraw/zinc/04/67/34/1110046734.db2.gz XMJVMMWGJAOOFB-UHFFFAOYSA-N 2 2 363.480 4.329 20 30 FIEDLP C=CC[NH+]1CCC([NH2+][C@@H](c2ccc(F)cc2)c2ccc(OC)cc2)CC1 ZINC000491035768 1114364347 /nfs/dbraw/zinc/36/43/47/1114364347.db2.gz KFMVFEGKMJAVTO-QFIPXVFZSA-N 2 2 354.469 4.164 20 30 FIEDLP C[C@@H](C[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1)c1ccc(F)cc1 ZINC000593693128 1115796370 /nfs/dbraw/zinc/79/63/70/1115796370.db2.gz PWAZXNIRLQEFBO-KRWDZBQOSA-N 2 2 351.469 4.055 20 30 FIEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]Cc3ccc(C(F)F)cc3)CC2)c1 ZINC000593693392 1115798161 /nfs/dbraw/zinc/79/81/61/1115798161.db2.gz XGOOLUFARNWPKR-UHFFFAOYSA-N 2 2 355.432 4.250 20 30 FIEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCSc3ccc(Br)cc32)CC1 ZINC000177909693 1119360881 /nfs/dbraw/zinc/36/08/81/1119360881.db2.gz MAVOYAOZDVLLRX-MRXNPFEDSA-N 2 2 367.356 4.226 20 30 FIEDLP CCN(CC)c1ccc(/C=[NH+]/C[C@H](C)[N@@H+]2CCc3ccccc3C2)c(O)c1 ZINC000914558020 1120361771 /nfs/dbraw/zinc/36/17/71/1120361771.db2.gz PFYOCTACQFSKJV-MRSJDWDVSA-N 2 2 365.521 4.104 20 30 FIEDLP CCN(CC)c1ccc(/C=[NH+]/C[C@H](C)[N@H+]2CCc3ccccc3C2)c(O)c1 ZINC000914558020 1120361775 /nfs/dbraw/zinc/36/17/75/1120361775.db2.gz PFYOCTACQFSKJV-MRSJDWDVSA-N 2 2 365.521 4.104 20 30 FIEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc(OCc3cccc(OC)c3)cc2)CC1 ZINC001649107251 1121839579 /nfs/dbraw/zinc/83/95/79/1121839579.db2.gz SOXPRSQZIOUJMD-UHFFFAOYSA-N 2 2 366.505 4.014 20 30 FIEDLP CCOc1cccc(/C=[NH+]\CC2CC[NH+](Cc3ccccc3)CC2)c1O ZINC000920386585 1123450611 /nfs/dbraw/zinc/45/06/11/1123450611.db2.gz CVUMOQHHOVNTBN-KQWNVCNZSA-N 2 2 352.478 4.122 20 30 FIEDLP C[C@H](C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)Sc1ccccc1 ZINC000181831883 1125149699 /nfs/dbraw/zinc/14/96/99/1125149699.db2.gz CETUCWNKLRWEEY-GOSISDBHSA-N 2 2 365.546 4.293 20 30 FIEDLP C[C@H](C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccc(F)cc1F ZINC000181838584 1125154125 /nfs/dbraw/zinc/15/41/25/1125154125.db2.gz OYHJEJZTEZJOPJ-MRXNPFEDSA-N 2 2 369.459 4.194 20 30 FIEDLP COc1ccc(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)cc1C#N ZINC000610994701 1083946186 /nfs/dbraw/zinc/94/61/86/1083946186.db2.gz NJSYGEDGMQNNEI-AVRDEDQJSA-N 2 2 363.505 4.052 20 30 FIEDLP COc1ccc(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)cc1C#N ZINC000610994701 1083946192 /nfs/dbraw/zinc/94/61/92/1083946192.db2.gz NJSYGEDGMQNNEI-AVRDEDQJSA-N 2 2 363.505 4.052 20 30 FIEDLP COc1ccc(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1C#N ZINC000610994701 1083946195 /nfs/dbraw/zinc/94/61/95/1083946195.db2.gz NJSYGEDGMQNNEI-AVRDEDQJSA-N 2 2 363.505 4.052 20 30 FIEDLP COc1ccc(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1C#N ZINC000610994701 1083946201 /nfs/dbraw/zinc/94/62/01/1083946201.db2.gz NJSYGEDGMQNNEI-AVRDEDQJSA-N 2 2 363.505 4.052 20 30 FIEDLP CC[C@H]([NH2+]CC#CC[NH2+][C@@H](CC)c1nc(C)cs1)c1nc(C)cs1 ZINC000582375274 1084917025 /nfs/dbraw/zinc/91/70/25/1084917025.db2.gz GJZKHXOAKXRRHN-HOTGVXAUSA-N 2 2 362.568 4.001 20 30 FIEDLP C[C@@H]([NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1ccc(C#N)c(F)c1 ZINC000479461922 1085164329 /nfs/dbraw/zinc/16/43/29/1085164329.db2.gz ATHVRQYAWNAMMR-AXOLYNHLSA-N 2 2 369.406 4.153 20 30 FIEDLP C=C(C)[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccc(F)c(F)c1 ZINC000420921080 1095164323 /nfs/dbraw/zinc/16/43/23/1095164323.db2.gz LFHSLLWRMFNFCK-QFIPXVFZSA-N 2 2 372.459 4.204 20 30 FIEDLP C=CC[NH+]1CCC([NH2+][C@@H](Cc2cccnc2)c2cccc(Cl)c2)CC1 ZINC000426070008 1100767392 /nfs/dbraw/zinc/76/73/92/1100767392.db2.gz MOLIHTWAJYVHCE-NRFANRHFSA-N 2 2 355.913 4.259 20 30 FIEDLP C=CC[NH+]1CCC([NH2+][C@H](Cc2cccnc2)c2cccc(Cl)c2)CC1 ZINC000426070009 1100767946 /nfs/dbraw/zinc/76/79/46/1100767946.db2.gz MOLIHTWAJYVHCE-OAQYLSRUSA-N 2 2 355.913 4.259 20 30 FIEDLP N#CC1(c2ccccc2F)CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001168006291 1105102660 /nfs/dbraw/zinc/10/26/60/1105102660.db2.gz MTMICWHKDQXDTK-YOFSQIOKSA-N 2 2 367.512 4.088 20 30 FIEDLP N#CC1(c2ccccc2F)CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001168006291 1105102662 /nfs/dbraw/zinc/10/26/62/1105102662.db2.gz MTMICWHKDQXDTK-YOFSQIOKSA-N 2 2 367.512 4.088 20 30 FIEDLP C[C@@H]1C[C@@H]([NH+](C)CCC(C#N)(c2ccccc2)c2ccccc2)CC[N@@H+]1C ZINC000193062377 1107082539 /nfs/dbraw/zinc/08/25/39/1107082539.db2.gz RSXCBYQIXYYVDM-OFNKIYASSA-N 2 2 361.533 4.301 20 30 FIEDLP C[C@@H]1C[C@@H]([NH+](C)CCC(C#N)(c2ccccc2)c2ccccc2)CC[N@H+]1C ZINC000193062377 1107082556 /nfs/dbraw/zinc/08/25/56/1107082556.db2.gz RSXCBYQIXYYVDM-OFNKIYASSA-N 2 2 361.533 4.301 20 30 FIEDLP C[C@@H]1C[C@@H]([N@H+](C)CCC(C#N)(c2ccccc2)c2ccccc2)CC[NH+]1C ZINC000193062377 1107082571 /nfs/dbraw/zinc/08/25/71/1107082571.db2.gz RSXCBYQIXYYVDM-OFNKIYASSA-N 2 2 361.533 4.301 20 30 FIEDLP C[C@@H]1C[C@@H]([N@@H+](C)CCC(C#N)(c2ccccc2)c2ccccc2)CC[NH+]1C ZINC000193062377 1107082585 /nfs/dbraw/zinc/08/25/85/1107082585.db2.gz RSXCBYQIXYYVDM-OFNKIYASSA-N 2 2 361.533 4.301 20 30 FIEDLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(F)c(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000121373062 1107605727 /nfs/dbraw/zinc/60/57/27/1107605727.db2.gz CQPKPUAGSOBFAK-UTKZUKDTSA-N 2 2 351.469 4.182 20 30 FIEDLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(F)c(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000121373062 1107605751 /nfs/dbraw/zinc/60/57/51/1107605751.db2.gz CQPKPUAGSOBFAK-UTKZUKDTSA-N 2 2 351.469 4.182 20 30 FIEDLP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(F)c(C#N)c2)CC[NH+]1Cc1ccccc1 ZINC000121373062 1107605760 /nfs/dbraw/zinc/60/57/60/1107605760.db2.gz CQPKPUAGSOBFAK-UTKZUKDTSA-N 2 2 351.469 4.182 20 30 FIEDLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(F)c(C#N)c2)CC[NH+]1Cc1ccccc1 ZINC000121373062 1107605766 /nfs/dbraw/zinc/60/57/66/1107605766.db2.gz CQPKPUAGSOBFAK-UTKZUKDTSA-N 2 2 351.469 4.182 20 30 FIEDLP Cc1ccc2c(CC[NH2+]C3CC[NH+](Cc4ccc(C#N)cc4)CC3)c[nH]c2c1 ZINC000527370815 1109753004 /nfs/dbraw/zinc/75/30/04/1109753004.db2.gz KTEKOFJCLGXWJB-UHFFFAOYSA-N 2 2 372.516 4.145 20 30 FIEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2cnn(-c3cc(C)ccc3C)c2C)CC1 ZINC000482635242 1113320884 /nfs/dbraw/zinc/32/08/84/1113320884.db2.gz WFWIGWUMTVXZOV-LJQANCHMSA-N 2 2 366.553 4.489 20 30 FIEDLP N#Cc1cccc(C2([NH2+][C@@H]3CC[N@H+](Cc4ccccc4)C4(CC4)C3)CC2)c1 ZINC000592365902 1115283157 /nfs/dbraw/zinc/28/31/57/1115283157.db2.gz GZQRJFIPJAJTIQ-JOCHJYFZSA-N 2 2 357.501 4.334 20 30 FIEDLP N#Cc1cccc(C2([NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)C4(CC4)C3)CC2)c1 ZINC000592365902 1115283159 /nfs/dbraw/zinc/28/31/59/1115283159.db2.gz GZQRJFIPJAJTIQ-JOCHJYFZSA-N 2 2 357.501 4.334 20 30 FIEDLP Cn1cc[nH+]c1C[C@@H]([NH2+]Cc1ccc(C(C)(C)C#N)cc1)c1ccccc1 ZINC000594514124 1115457788 /nfs/dbraw/zinc/45/77/88/1115457788.db2.gz PNELWODJCUBKCN-OAQYLSRUSA-N 2 2 358.489 4.295 20 30 FIEDLP Cc1c2ccccc2n(C)c1C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000463245059 1118051518 /nfs/dbraw/zinc/05/15/18/1118051518.db2.gz AOBJYNGZQMYEHS-UHFFFAOYSA-N 2 2 372.516 4.113 20 30 FIEDLP CSc1ccc(F)cc1C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000540593290 1118137586 /nfs/dbraw/zinc/13/75/86/1118137586.db2.gz CIMPBGDWOIZVNK-UHFFFAOYSA-N 2 2 369.509 4.173 20 30 FIEDLP CCOc1ccc(/C=[NH+]/CC2CC[NH+](Cc3ccccc3)CC2)c(O)c1 ZINC000920386972 1123450782 /nfs/dbraw/zinc/45/07/82/1123450782.db2.gz IOLABJWSCLOPKV-XQNSMLJCSA-N 2 2 352.478 4.122 20 30 FIEDLP C=CC[NH+]1CCC([NH2+]CC2=Cc3cc(Cl)cc(Cl)c3OC2)CC1 ZINC000237830919 1124116876 /nfs/dbraw/zinc/11/68/76/1124116876.db2.gz ZTBNWDJRNWDFSE-UHFFFAOYSA-N 2 2 353.293 4.009 20 30 FIEDLP C[C@H](C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)Cc1cccs1 ZINC000181817087 1125143727 /nfs/dbraw/zinc/14/37/27/1125143727.db2.gz BNPWNFQCUXVQRM-KRWDZBQOSA-N 2 2 353.535 4.053 20 30 FIEDLP CCS[C@H]1CCC[C@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000181855282 1125154007 /nfs/dbraw/zinc/15/40/07/1125154007.db2.gz QHAZVEVVMZGHIV-SFTDATJTSA-N 2 2 357.567 4.177 20 30 FIEDLP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000569989180 568446795 /nfs/dbraw/zinc/44/67/95/568446795.db2.gz JUWDOOOPPHVDCM-HSZRJFAPSA-N 2 2 356.473 4.360 20 30 FIEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2cnn(-c3ccc(F)cc3)c2C)CC1 ZINC000152977086 1125706460 /nfs/dbraw/zinc/70/64/60/1125706460.db2.gz PRLREWGTIUXADV-INIZCTEOSA-N 2 2 356.489 4.011 20 30 FIEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(SC(F)F)c(OC)c2)CC1 ZINC000177912874 1082312632 /nfs/dbraw/zinc/31/26/32/1082312632.db2.gz NCIPIDJFYVLXCY-ZDUSSCGKSA-N 2 2 356.482 4.311 20 30 FIEDLP C[C@@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1cccc(C#N)c1 ZINC000610830040 1083744789 /nfs/dbraw/zinc/74/47/89/1083744789.db2.gz YSRNERQHANIXIR-QGZVFWFLSA-N 2 2 351.469 4.055 20 30 FIEDLP CCO[C@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1(CC)CC ZINC000538396054 1084076435 /nfs/dbraw/zinc/07/64/35/1084076435.db2.gz NYWLFSRHGPJDIC-VXKWHMMOSA-N 2 2 369.553 4.096 20 30 FIEDLP CC[C@H](C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)CC(F)(F)F ZINC000414244029 1084898093 /nfs/dbraw/zinc/89/80/93/1084898093.db2.gz AJCAMAHUZLANJH-HNNXBMFYSA-N 2 2 353.432 4.091 20 30 FIEDLP COc1cc(C#N)ccc1C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000501207775 1094559051 /nfs/dbraw/zinc/55/90/51/1094559051.db2.gz IRCWIOCKPVGHFU-GCJKJVERSA-N 2 2 363.505 4.052 20 30 FIEDLP COc1cc(C#N)ccc1C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000501207775 1094559060 /nfs/dbraw/zinc/55/90/60/1094559060.db2.gz IRCWIOCKPVGHFU-GCJKJVERSA-N 2 2 363.505 4.052 20 30 FIEDLP COc1cc(C#N)ccc1C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000501207775 1094559072 /nfs/dbraw/zinc/55/90/72/1094559072.db2.gz IRCWIOCKPVGHFU-GCJKJVERSA-N 2 2 363.505 4.052 20 30 FIEDLP COc1cc(C#N)ccc1C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000501207775 1094559083 /nfs/dbraw/zinc/55/90/83/1094559083.db2.gz IRCWIOCKPVGHFU-GCJKJVERSA-N 2 2 363.505 4.052 20 30 FIEDLP CC1CC[NH+](CCc2cccc(NC(=O)[C@H]3CCn4cc[nH+]c4C3)c2)CC1 ZINC000329083237 1094732508 /nfs/dbraw/zinc/73/25/08/1094732508.db2.gz FAEHJPBBOMGAKF-IBGZPJMESA-N 2 2 366.509 4.008 20 30 FIEDLP Cc1c[nH+]ccc1OC1CC[NH+]([C@@H](C)C(=O)NCC2CCCCC2)CC1 ZINC000330246623 1095433612 /nfs/dbraw/zinc/43/36/12/1095433612.db2.gz FGPIJXXAUFALKN-KRWDZBQOSA-N 2 2 359.514 4.159 20 30 FIEDLP CC(C)(C#N)c1ccccc1C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503385613 1096375831 /nfs/dbraw/zinc/37/58/31/1096375831.db2.gz RRDZBDPLRIQJHC-LJQANCHMSA-N 2 2 362.521 4.400 20 30 FIEDLP CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503385613 1096375838 /nfs/dbraw/zinc/37/58/38/1096375838.db2.gz RRDZBDPLRIQJHC-LJQANCHMSA-N 2 2 362.521 4.400 20 30 FIEDLP N#Cc1ccc(C[NH2+]CCC[NH+](Cc2ccccc2)Cc2ccccc2)o1 ZINC000237841914 1099612904 /nfs/dbraw/zinc/61/29/04/1099612904.db2.gz HEKCGIQCBOCDQQ-UHFFFAOYSA-N 2 2 359.473 4.333 20 30 FIEDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000428653793 1099968865 /nfs/dbraw/zinc/96/88/65/1099968865.db2.gz XVUKMKNRONRHSE-FQEVSTJZSA-N 2 2 370.500 4.413 20 30 FIEDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000428653793 1099968869 /nfs/dbraw/zinc/96/88/69/1099968869.db2.gz XVUKMKNRONRHSE-FQEVSTJZSA-N 2 2 370.500 4.413 20 30 FIEDLP N#Cc1csc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)c1 ZINC000536676712 1100169037 /nfs/dbraw/zinc/16/90/37/1100169037.db2.gz UGLYOJFLMBANFP-OAQYLSRUSA-N 2 2 351.519 4.108 20 30 FIEDLP N#Cc1csc(C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)c1 ZINC000536676712 1100169043 /nfs/dbraw/zinc/16/90/43/1100169043.db2.gz UGLYOJFLMBANFP-OAQYLSRUSA-N 2 2 351.519 4.108 20 30 FIEDLP N#Cc1csc(C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c1 ZINC000536676712 1100169051 /nfs/dbraw/zinc/16/90/51/1100169051.db2.gz UGLYOJFLMBANFP-OAQYLSRUSA-N 2 2 351.519 4.108 20 30 FIEDLP N#Cc1csc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c1 ZINC000536676712 1100169056 /nfs/dbraw/zinc/16/90/56/1100169056.db2.gz UGLYOJFLMBANFP-OAQYLSRUSA-N 2 2 351.519 4.108 20 30 FIEDLP CCO[C@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1(CC)CC ZINC000538396055 1111122489 /nfs/dbraw/zinc/12/24/89/1111122489.db2.gz NYWLFSRHGPJDIC-YADHBBJMSA-N 2 2 369.553 4.096 20 30 FIEDLP C=CC[NH+]1CCC([NH2+][C@H](Cc2cccc(F)c2)c2cccc(F)c2)CC1 ZINC000482630923 1113314788 /nfs/dbraw/zinc/31/47/88/1113314788.db2.gz QMSAESZEGJEART-JOCHJYFZSA-N 2 2 356.460 4.489 20 30 FIEDLP C=CC[NH+]1CCC([NH2+][C@@H](Cc2ccc(F)cc2)c2ccc(OC)cc2)CC1 ZINC000482647311 1113320526 /nfs/dbraw/zinc/32/05/26/1113320526.db2.gz OATXJFQAEKWYKX-QHCPKHFHSA-N 2 2 368.496 4.358 20 30 FIEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2cnn(-c3cc(C)ccc3C)c2C)CC1 ZINC000482635241 1113320744 /nfs/dbraw/zinc/32/07/44/1113320744.db2.gz WFWIGWUMTVXZOV-IBGZPJMESA-N 2 2 366.553 4.489 20 30 FIEDLP CC(C)(C)OC1CC(CC[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000463252036 1118062487 /nfs/dbraw/zinc/06/24/87/1118062487.db2.gz XFFFGMTXCJANPP-UHFFFAOYSA-N 2 2 369.553 4.096 20 30 FIEDLP COc1ccc([C@@H](C)[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1F ZINC000181418280 1124911634 /nfs/dbraw/zinc/91/16/34/1124911634.db2.gz IKHQQLMRDHNJMY-MRXNPFEDSA-N 2 2 367.468 4.021 20 30 FIEDLP CCO[C@@H](CC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CCCC1 ZINC000181850065 1125156867 /nfs/dbraw/zinc/15/68/67/1125156867.db2.gz UUFUWPSPBFDWHL-QHCPKHFHSA-N 2 2 369.553 4.098 20 30 FIEDLP C=CC[NH+]1CCC([NH2+]C2CCC(O)(c3ccc(C(C)C)cc3)CC2)CC1 ZINC000182069163 1125225468 /nfs/dbraw/zinc/22/54/68/1125225468.db2.gz AWXICBYCZJMIMH-UHFFFAOYSA-N 2 2 356.554 4.180 20 30 FIEDLP CCc1[nH+]c2cc(C[NH2+][C@@H](C)CC3(C#N)CCOCC3)ccc2n1C1CC1 ZINC000602650944 568004956 /nfs/dbraw/zinc/00/49/56/568004956.db2.gz DEACXQDBROFJIL-INIZCTEOSA-N 2 2 366.509 4.122 20 30 FIEDLP CCc1[nH+]c2cc(C[NH2+][C@H](C)CC3(C#N)CCOCC3)ccc2n1C1CC1 ZINC000602650955 568004962 /nfs/dbraw/zinc/00/49/62/568004962.db2.gz DEACXQDBROFJIL-MRXNPFEDSA-N 2 2 366.509 4.122 20 30 FIEDLP Cc1ccc([C@@H](C)[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1F ZINC000181886824 568117212 /nfs/dbraw/zinc/11/72/12/568117212.db2.gz XNSRMEAIUAMNHF-QGZVFWFLSA-N 2 2 351.469 4.321 20 30 FIEDLP Cn1cc[nH+]c1C[C@@H]([NH2+]Cc1cccc(OCCCC#N)c1)c1ccccc1 ZINC000610272803 1081000298 /nfs/dbraw/zinc/00/02/98/1081000298.db2.gz PPOZACRSKBONEE-JOCHJYFZSA-N 2 2 374.488 4.176 20 30 FIEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)CCCOc2ccc(Cl)c(C)c2)CC1 ZINC000510733086 1083285107 /nfs/dbraw/zinc/28/51/07/1083285107.db2.gz KPHJSHRDTIHCIC-KRWDZBQOSA-N 2 2 350.934 4.436 20 30 FIEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000236691203 1083922778 /nfs/dbraw/zinc/92/27/78/1083922778.db2.gz WRQIMLPHLVPLGQ-UHFFFAOYSA-N 2 2 371.506 4.453 20 30 FIEDLP CC[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1ccc(C#N)cc1 ZINC000278730861 1087272610 /nfs/dbraw/zinc/27/26/10/1087272610.db2.gz MTJAXOVACKZBMN-NRFANRHFSA-N 2 2 363.509 4.047 20 30 FIEDLP Clc1cccc(C#CC[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000503378747 1096380023 /nfs/dbraw/zinc/38/00/23/1096380023.db2.gz UDLOKLVLGMPDIF-GOSISDBHSA-N 2 2 353.897 4.104 20 30 FIEDLP Clc1cccc(C#CC[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000503378747 1096380033 /nfs/dbraw/zinc/38/00/33/1096380033.db2.gz UDLOKLVLGMPDIF-GOSISDBHSA-N 2 2 353.897 4.104 20 30 FIEDLP Clc1cccc(C#CC[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000503378773 1096380495 /nfs/dbraw/zinc/38/04/95/1096380495.db2.gz UDLOKLVLGMPDIF-SFHVURJKSA-N 2 2 353.897 4.104 20 30 FIEDLP Clc1cccc(C#CC[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000503378773 1096380504 /nfs/dbraw/zinc/38/05/04/1096380504.db2.gz UDLOKLVLGMPDIF-SFHVURJKSA-N 2 2 353.897 4.104 20 30 FIEDLP N#Cc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)s1 ZINC000536676784 1100168673 /nfs/dbraw/zinc/16/86/73/1100168673.db2.gz NVPOSHWOZNKMST-OAQYLSRUSA-N 2 2 351.519 4.108 20 30 FIEDLP N#Cc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)s1 ZINC000536676784 1100168678 /nfs/dbraw/zinc/16/86/78/1100168678.db2.gz NVPOSHWOZNKMST-OAQYLSRUSA-N 2 2 351.519 4.108 20 30 FIEDLP N#Cc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)s1 ZINC000536676784 1100168685 /nfs/dbraw/zinc/16/86/85/1100168685.db2.gz NVPOSHWOZNKMST-OAQYLSRUSA-N 2 2 351.519 4.108 20 30 FIEDLP N#Cc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)s1 ZINC000536676784 1100168699 /nfs/dbraw/zinc/16/86/99/1100168699.db2.gz NVPOSHWOZNKMST-OAQYLSRUSA-N 2 2 351.519 4.108 20 30 FIEDLP C[C@]1(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCCc2ccccc21 ZINC000537304506 1101629070 /nfs/dbraw/zinc/62/90/70/1101629070.db2.gz QEVFAGYMNIJWTR-RUZDIDTESA-N 2 2 373.544 4.406 20 30 FIEDLP C=CCOc1ccccc1C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000237143541 1101980954 /nfs/dbraw/zinc/98/09/54/1101980954.db2.gz BULQSSNHFMRZQN-UHFFFAOYSA-N 2 2 365.521 4.076 20 30 FIEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccc(Br)cc2F)CC1 ZINC000126774434 1104717530 /nfs/dbraw/zinc/71/75/30/1104717530.db2.gz FPLBVNSGDIOKQN-ZDUSSCGKSA-N 2 2 355.295 4.279 20 30 FIEDLP N#CC(CC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)(c1ccccc1)c1ccccc1 ZINC000444665111 1108068435 /nfs/dbraw/zinc/06/84/35/1108068435.db2.gz STWZPWZCEBMVFL-FQEVSTJZSA-N 2 2 370.500 4.489 20 30 FIEDLP N#CC(CC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)(c1ccccc1)c1ccccc1 ZINC000444665111 1108068454 /nfs/dbraw/zinc/06/84/54/1108068454.db2.gz STWZPWZCEBMVFL-FQEVSTJZSA-N 2 2 370.500 4.489 20 30 FIEDLP N#CC(CC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)(c1ccccc1)c1ccccc1 ZINC000444665113 1108069325 /nfs/dbraw/zinc/06/93/25/1108069325.db2.gz STWZPWZCEBMVFL-HXUWFJFHSA-N 2 2 370.500 4.489 20 30 FIEDLP N#CC(CC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)(c1ccccc1)c1ccccc1 ZINC000444665113 1108069340 /nfs/dbraw/zinc/06/93/40/1108069340.db2.gz STWZPWZCEBMVFL-HXUWFJFHSA-N 2 2 370.500 4.489 20 30 FIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CC[C@H]4CCCC[C@@H]4C3)CC2)cc1 ZINC000538399000 1111115503 /nfs/dbraw/zinc/11/55/03/1111115503.db2.gz YCQQQHKALXWQRJ-MQSCRBSSSA-N 2 2 351.538 4.471 20 30 FIEDLP C=CC[NH+]1CCC([NH2+]C(Cc2ccccc2F)Cc2ccccc2F)CC1 ZINC000462043425 1111471402 /nfs/dbraw/zinc/47/14/02/1111471402.db2.gz BJIBPQFTJZVCMW-UHFFFAOYSA-N 2 2 370.487 4.359 20 30 FIEDLP C=CC[NH+]1CCC([NH2+][C@@H](CSC)c2ccc(C(F)(F)F)cc2)CC1 ZINC000540987742 1118338758 /nfs/dbraw/zinc/33/87/58/1118338758.db2.gz ZWTDTWQHMMKDGL-KRWDZBQOSA-N 2 2 358.473 4.350 20 30 FIEDLP CN(c1ccccc1C=[NH+]Nc1cccc2ncccc21)C1CC[NH+](C)CC1 ZINC000915964694 1121364977 /nfs/dbraw/zinc/36/49/77/1121364977.db2.gz JIYNRMVSKXRSEH-UHFFFAOYSA-N 2 2 373.504 4.211 20 30 FIEDLP CCN(CC)c1ccc(/C=[NH+]/C[C@H](c2ccco2)[NH+](CC)CC)c(O)c1 ZINC000921261724 1123606091 /nfs/dbraw/zinc/60/60/91/1123606091.db2.gz UGAFOXXMQAGRJR-QTCOBDOFSA-N 2 2 357.498 4.333 20 30 FIEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2cc3cc(Br)ccc3o2)CC1 ZINC000181716343 1125114220 /nfs/dbraw/zinc/11/42/20/1125114220.db2.gz JFGWJTWBWWLASR-ZDUSSCGKSA-N 2 2 363.299 4.496 20 30 FIEDLP CSc1cc(C)ccc1C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181889430 1125170535 /nfs/dbraw/zinc/17/05/35/1125170535.db2.gz OFKGQNMUTJFFEV-UHFFFAOYSA-N 2 2 365.546 4.343 20 30 FIEDLP CCOCCC1(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCCC1 ZINC000181898031 1125179797 /nfs/dbraw/zinc/17/97/97/1125179797.db2.gz SKTZNCYXFKZWDY-UHFFFAOYSA-N 2 2 369.553 4.099 20 30 FIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H](Cc3ccccc3)C3CC3)CC2)cc1 ZINC000181980573 1125196562 /nfs/dbraw/zinc/19/65/62/1125196562.db2.gz QFNQYNIVCWJEJI-DEOSSOPVSA-N 2 2 359.517 4.134 20 30 FIEDLP C=C(C)COc1cc(C[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)ccc1OC ZINC000604419750 568276621 /nfs/dbraw/zinc/27/66/21/568276621.db2.gz BORMLKPUCVEHFV-UHFFFAOYSA-N 2 2 363.461 4.126 20 30 FIEDLP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000619508220 1125602899 /nfs/dbraw/zinc/60/28/99/1125602899.db2.gz TXSQAEFOKIRGQQ-NRFANRHFSA-N 2 2 360.436 4.440 20 30 FIEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc(Oc3ccc(OC)cc3)cc2)CC1 ZINC000544111826 1090410484 /nfs/dbraw/zinc/41/04/84/1090410484.db2.gz CPADGFNYHWKNCJ-UHFFFAOYSA-N 2 2 352.478 4.228 20 30 FIEDLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(C#N)cc1F ZINC000512635346 1093050685 /nfs/dbraw/zinc/05/06/85/1093050685.db2.gz GUHXSIKGRLDOQX-PNLZDCPESA-N 2 2 351.469 4.259 20 30 FIEDLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(C#N)cc1F ZINC000512635346 1093050695 /nfs/dbraw/zinc/05/06/95/1093050695.db2.gz GUHXSIKGRLDOQX-PNLZDCPESA-N 2 2 351.469 4.259 20 30 FIEDLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc(C#N)cc1F ZINC000512655820 1093090388 /nfs/dbraw/zinc/09/03/88/1093090388.db2.gz WRWOQUCAZGOWNL-ZWOKBUDYSA-N 2 2 351.469 4.401 20 30 FIEDLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc(C#N)cc1F ZINC000512655820 1093090395 /nfs/dbraw/zinc/09/03/95/1093090395.db2.gz WRWOQUCAZGOWNL-ZWOKBUDYSA-N 2 2 351.469 4.401 20 30 FIEDLP C=CCOc1ccccc1C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000502308598 1095357302 /nfs/dbraw/zinc/35/73/02/1095357302.db2.gz HRXGLMHQYFFMPO-LJQANCHMSA-N 2 2 351.494 4.164 20 30 FIEDLP C=CCOc1ccccc1C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000502308598 1095357318 /nfs/dbraw/zinc/35/73/18/1095357318.db2.gz HRXGLMHQYFFMPO-LJQANCHMSA-N 2 2 351.494 4.164 20 30 FIEDLP C[N@H+](CC#Cc1ccc(Cl)cc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000426459760 1101663095 /nfs/dbraw/zinc/66/30/95/1101663095.db2.gz LISRSTWDIDDHCV-OAQYLSRUSA-N 2 2 352.909 4.145 20 30 FIEDLP C[N@@H+](CC#Cc1ccc(Cl)cc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000426459760 1101663099 /nfs/dbraw/zinc/66/30/99/1101663099.db2.gz LISRSTWDIDDHCV-OAQYLSRUSA-N 2 2 352.909 4.145 20 30 FIEDLP C[NH+](CC#Cc1ccc(Cl)cc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000426459760 1101663101 /nfs/dbraw/zinc/66/31/01/1101663101.db2.gz LISRSTWDIDDHCV-OAQYLSRUSA-N 2 2 352.909 4.145 20 30 FIEDLP C[NH+](CC#Cc1ccc(Cl)cc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000426459760 1101663103 /nfs/dbraw/zinc/66/31/03/1101663103.db2.gz LISRSTWDIDDHCV-OAQYLSRUSA-N 2 2 352.909 4.145 20 30 FIEDLP C[C@@H](C(=O)NC1CCC(C)CC1)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000328653757 1104525458 /nfs/dbraw/zinc/52/54/58/1104525458.db2.gz LIGNJVCUFDJDMY-YBXZHIRMSA-N 2 2 372.557 4.323 20 30 FIEDLP C[C@@H](C(=O)NC1CCC(C)CC1)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000328653757 1104525464 /nfs/dbraw/zinc/52/54/64/1104525464.db2.gz LIGNJVCUFDJDMY-YBXZHIRMSA-N 2 2 372.557 4.323 20 30 FIEDLP C=CC[NH+]1CCC([NH2+]C2CC(c3ccc(Br)cc3F)C2)CC1 ZINC000449119854 1109980230 /nfs/dbraw/zinc/98/02/30/1109980230.db2.gz BHANHUXNDFOOJN-UHFFFAOYSA-N 2 2 367.306 4.074 20 30 FIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]Cc3ccccc3C(F)(F)F)CC2)cc1 ZINC000538397719 1111123662 /nfs/dbraw/zinc/12/36/62/1111123662.db2.gz AHIIDMJUXLECCP-UHFFFAOYSA-N 2 2 373.422 4.331 20 30 FIEDLP C=CC[NH+]1CCC([NH2+][C@@H](c2ccc(Br)cc2F)C2CC2)CC1 ZINC000479069381 1111940164 /nfs/dbraw/zinc/94/01/64/1111940164.db2.gz PKOCBOWMZBQJJJ-GOSISDBHSA-N 2 2 367.306 4.279 20 30 FIEDLP C=CC[NH+]1CCC([NH2+][C@H]2CC(C)(C)c3ccc(Br)cc32)CC1 ZINC000479069424 1111940421 /nfs/dbraw/zinc/94/04/21/1111940421.db2.gz PTQLTXJLUOMSJH-SFHVURJKSA-N 2 2 363.343 4.412 20 30 FIEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]C/C=C/c3ccc(F)c(F)c3)CC2)c1 ZINC000593693015 1115796024 /nfs/dbraw/zinc/79/60/24/1115796024.db2.gz LXJHNZJLEGRCBQ-GORDUTHDSA-N 2 2 367.443 4.104 20 30 FIEDLP Cc1cc(Cl)ccc1C[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593693311 1115798060 /nfs/dbraw/zinc/79/80/60/1115798060.db2.gz UEHQIACKCUETRM-UHFFFAOYSA-N 2 2 353.897 4.274 20 30 FIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3C[C@H](c4ccccc4F)C3)CC2)cc1 ZINC000463238016 1118046095 /nfs/dbraw/zinc/04/60/95/1118046095.db2.gz NCQPBRCFSWEICG-XUTJKUGGSA-N 2 2 363.480 4.198 20 30 FIEDLP C[C@@H](C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccc(F)cc1 ZINC000540592297 1118137525 /nfs/dbraw/zinc/13/75/25/1118137525.db2.gz ZMSZVUIUCOCVJQ-KRWDZBQOSA-N 2 2 351.469 4.055 20 30 FIEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2cc3cc(Br)ccc3o2)CC1 ZINC000181716364 1125114569 /nfs/dbraw/zinc/11/45/69/1125114569.db2.gz JFGWJTWBWWLASR-CYBMUJFWSA-N 2 2 363.299 4.496 20 30 FIEDLP CCS[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000181855264 1125154082 /nfs/dbraw/zinc/15/40/82/1125154082.db2.gz QHAZVEVVMZGHIV-LEWJYISDSA-N 2 2 357.567 4.177 20 30 FIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CC3(Cc4ccccc4)CC3)CC2)cc1 ZINC000182043601 1125223752 /nfs/dbraw/zinc/22/37/52/1125223752.db2.gz RQPMLLRYQWWWSM-UHFFFAOYSA-N 2 2 359.517 4.135 20 30 FIEDLP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000619508221 1125603440 /nfs/dbraw/zinc/60/34/40/1125603440.db2.gz TXSQAEFOKIRGQQ-OAQYLSRUSA-N 2 2 360.436 4.440 20 30 FIEDLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC#Cc1ccc(F)cc1 ZINC000549165334 1089085551 /nfs/dbraw/zinc/08/55/51/1089085551.db2.gz LCBSWVDVFRQOIO-JOCHJYFZSA-N 2 2 350.481 4.068 20 30 FIEDLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC#Cc1ccc(F)cc1 ZINC000549165334 1089085568 /nfs/dbraw/zinc/08/55/68/1089085568.db2.gz LCBSWVDVFRQOIO-JOCHJYFZSA-N 2 2 350.481 4.068 20 30 FIEDLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2ccc(C#N)cc2F)cc1F ZINC000512643075 1093056644 /nfs/dbraw/zinc/05/66/44/1093056644.db2.gz VKMMRNSQEYJHHU-CYBMUJFWSA-N 2 2 352.388 4.181 20 30 FIEDLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccc(C#N)cc1F ZINC000512655818 1093091491 /nfs/dbraw/zinc/09/14/91/1093091491.db2.gz WRWOQUCAZGOWNL-UWVAXJGDSA-N 2 2 351.469 4.401 20 30 FIEDLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccc(C#N)cc1F ZINC000512655818 1093091495 /nfs/dbraw/zinc/09/14/95/1093091495.db2.gz WRWOQUCAZGOWNL-UWVAXJGDSA-N 2 2 351.469 4.401 20 30 FIEDLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(C#N)cc1F ZINC000512659624 1093095807 /nfs/dbraw/zinc/09/58/07/1093095807.db2.gz ISXKQVLRUMWGFJ-NVXWUHKLSA-N 2 2 357.498 4.322 20 30 FIEDLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc(C#N)cc1F ZINC000512659624 1093095816 /nfs/dbraw/zinc/09/58/16/1093095816.db2.gz ISXKQVLRUMWGFJ-NVXWUHKLSA-N 2 2 357.498 4.322 20 30 FIEDLP Cc1c[nH+]ccc1OC1CC[NH+]([C@@H](C)C(=O)NC2CCC(C)CC2)CC1 ZINC000330264284 1095439200 /nfs/dbraw/zinc/43/92/00/1095439200.db2.gz XSDMMAMKURKGAS-NXYGQSRBSA-N 2 2 359.514 4.157 20 30 FIEDLP N#Cc1ccccc1COc1cccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000536654208 1100109109 /nfs/dbraw/zinc/10/91/09/1100109109.db2.gz FAQWMQSKHVVSSN-UHFFFAOYSA-N 2 2 372.472 4.240 20 30 FIEDLP C[C@H](C(=O)NCC1CCCCC1)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000328659756 1104527746 /nfs/dbraw/zinc/52/77/46/1104527746.db2.gz UCPWIRAQAITXAX-IEBWSBKVSA-N 2 2 372.557 4.324 20 30 FIEDLP C[C@H](C(=O)NCC1CCCCC1)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000328659756 1104527756 /nfs/dbraw/zinc/52/77/56/1104527756.db2.gz UCPWIRAQAITXAX-IEBWSBKVSA-N 2 2 372.557 4.324 20 30 FIEDLP C=CCC[C@H](CCC)[NH2+]C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000449526709 1110099977 /nfs/dbraw/zinc/09/99/77/1110099977.db2.gz XPBGHGOZMQFMRE-FQEVSTJZSA-N 2 2 357.542 4.334 20 30 FIEDLP Cn1cc[nH+]c1C[C@@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1ccccc1 ZINC000594930316 1115491147 /nfs/dbraw/zinc/49/11/47/1115491147.db2.gz UICABYUUPCOKDV-OAQYLSRUSA-N 2 2 356.473 4.049 20 30 FIEDLP CC[C@H](Cc1ccc(F)cc1)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000594951986 1115502143 /nfs/dbraw/zinc/50/21/43/1115502143.db2.gz OUIJDQZTFHRUFD-JOCHJYFZSA-N 2 2 365.496 4.273 20 30 FIEDLP N#CC[C@H]1CCC[NH+](Cc2cc(C[N@@H+]3CCC[C@H](CC#N)C3)ccc2F)C1 ZINC000595623905 1115551742 /nfs/dbraw/zinc/55/17/42/1115551742.db2.gz YAFVEKKABCGERU-RTBURBONSA-N 2 2 368.500 4.077 20 30 FIEDLP N#CC[C@H]1CCC[NH+](Cc2cc(C[N@H+]3CCC[C@H](CC#N)C3)ccc2F)C1 ZINC000595623905 1115551746 /nfs/dbraw/zinc/55/17/46/1115551746.db2.gz YAFVEKKABCGERU-RTBURBONSA-N 2 2 368.500 4.077 20 30 FIEDLP N#CC[C@H]1CCC[NH+](Cc2ccc(F)c(C[N@@H+]3CCC[C@H](CC#N)C3)c2)C1 ZINC000595623905 1115551748 /nfs/dbraw/zinc/55/17/48/1115551748.db2.gz YAFVEKKABCGERU-RTBURBONSA-N 2 2 368.500 4.077 20 30 FIEDLP N#CC[C@H]1CCC[NH+](Cc2ccc(F)c(C[N@H+]3CCC[C@H](CC#N)C3)c2)C1 ZINC000595623905 1115551749 /nfs/dbraw/zinc/55/17/49/1115551749.db2.gz YAFVEKKABCGERU-RTBURBONSA-N 2 2 368.500 4.077 20 30 FIEDLP CC[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)c1ccc(C#N)cc1 ZINC000596652149 1115606741 /nfs/dbraw/zinc/60/67/41/1115606741.db2.gz YNMQHWROBRSAQK-DUXKGJEZSA-N 2 2 355.432 4.023 20 30 FIEDLP CCSc1cccc(C[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)c1 ZINC000593693443 1115798334 /nfs/dbraw/zinc/79/83/34/1115798334.db2.gz ZREZWAWWUDYCRV-UHFFFAOYSA-N 2 2 365.546 4.424 20 30 FIEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCc3c2cc(Br)cc3Cl)CC1 ZINC000535505998 1116315460 /nfs/dbraw/zinc/31/54/60/1116315460.db2.gz ADFUZTUEQGTWKG-QGZVFWFLSA-N 2 2 369.734 4.330 20 30 FIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@@H]3CCCCC(F)(F)C3)CC2)cc1 ZINC000491599851 1118967436 /nfs/dbraw/zinc/96/74/36/1118967436.db2.gz VXMIUIZBSQJLKT-LJQANCHMSA-N 2 2 361.480 4.328 20 30 FIEDLP CC(C)(C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1F ZINC000181643344 1125090677 /nfs/dbraw/zinc/09/06/77/1125090677.db2.gz BDKCRIAQDDVHAX-UHFFFAOYSA-N 2 2 365.496 4.229 20 30 FIEDLP Cc1[nH+]c2ccccc2n1CCC[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000569039560 568278139 /nfs/dbraw/zinc/27/81/39/568278139.db2.gz BBIAWJZONWIBFL-UHFFFAOYSA-N 2 2 372.394 4.415 20 30 FIEDLP C=CC[NH+]1CCC([NH2+][C@H](C)CCCOc2ccc(Cl)c(C)c2)CC1 ZINC000510733089 1083284986 /nfs/dbraw/zinc/28/49/86/1083284986.db2.gz KPHJSHRDTIHCIC-QGZVFWFLSA-N 2 2 350.934 4.436 20 30 FIEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccccc2OCc2ccccc2)CC1 ZINC000236690688 1083922591 /nfs/dbraw/zinc/92/25/91/1083922591.db2.gz IBZVEWSZDUEWGX-UHFFFAOYSA-N 2 2 350.506 4.396 20 30 FIEDLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)Cc3cccc(C#N)c3F)C2)s1 ZINC000581073384 1084504740 /nfs/dbraw/zinc/50/47/40/1084504740.db2.gz HABWJWDBTKGNCW-MRXNPFEDSA-N 2 2 357.498 4.021 20 30 FIEDLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)Cc3cccc(C#N)c3F)C2)s1 ZINC000581073384 1084504753 /nfs/dbraw/zinc/50/47/53/1084504753.db2.gz HABWJWDBTKGNCW-MRXNPFEDSA-N 2 2 357.498 4.021 20 30 FIEDLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)Cc3cccc(C#N)c3F)C2)s1 ZINC000581073384 1084504768 /nfs/dbraw/zinc/50/47/68/1084504768.db2.gz HABWJWDBTKGNCW-MRXNPFEDSA-N 2 2 357.498 4.021 20 30 FIEDLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)Cc3cccc(C#N)c3F)C2)s1 ZINC000581073384 1084504779 /nfs/dbraw/zinc/50/47/79/1084504779.db2.gz HABWJWDBTKGNCW-MRXNPFEDSA-N 2 2 357.498 4.021 20 30 FIEDLP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000583113814 1086212195 /nfs/dbraw/zinc/21/21/95/1086212195.db2.gz SUSWAOGPOOJFSY-QHCPKHFHSA-N 2 2 356.473 4.360 20 30 FIEDLP C=CC[NH+]1CCC([NH2+][C@H](CC)Cc2ccc(Br)cc2)CC1 ZINC000657876532 1087520397 /nfs/dbraw/zinc/52/03/97/1087520397.db2.gz XLECUZKXSRHJDJ-QGZVFWFLSA-N 2 2 351.332 4.010 20 30 FIEDLP C=CCC[C@H]([NH2+]Cc1ccc(C[NH+]2CCN(CC)CC2)cc1)c1ccco1 ZINC000514100086 1088771082 /nfs/dbraw/zinc/77/10/82/1088771082.db2.gz TWIBGJLYQVAPCX-QFIPXVFZSA-N 2 2 367.537 4.214 20 30 FIEDLP N#Cc1ccc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c(Cl)c1 ZINC000434669470 1088935946 /nfs/dbraw/zinc/93/59/46/1088935946.db2.gz JJJKIXXQFPWZTL-UHFFFAOYSA-N 2 2 354.885 4.124 20 30 FIEDLP N#Cc1cc(Cl)ccc1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434690837 1088948947 /nfs/dbraw/zinc/94/89/47/1088948947.db2.gz KSBMDUZZGXPAMV-UHFFFAOYSA-N 2 2 354.885 4.124 20 30 FIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CCCc4cc(C#N)ccc43)CC2)cc1 ZINC000417374257 1090844656 /nfs/dbraw/zinc/84/46/56/1090844656.db2.gz XVBXQDXWPKRWON-DEOSSOPVSA-N 2 2 370.500 4.062 20 30 FIEDLP COc1cc(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)ccc1C#N ZINC000442885731 1092839823 /nfs/dbraw/zinc/83/98/23/1092839823.db2.gz OCUQFOUBZVUDKZ-GCJKJVERSA-N 2 2 363.505 4.052 20 30 FIEDLP COc1cc(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)ccc1C#N ZINC000442885731 1092839833 /nfs/dbraw/zinc/83/98/33/1092839833.db2.gz OCUQFOUBZVUDKZ-GCJKJVERSA-N 2 2 363.505 4.052 20 30 FIEDLP COc1cc(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)ccc1C#N ZINC000442885731 1092839839 /nfs/dbraw/zinc/83/98/39/1092839839.db2.gz OCUQFOUBZVUDKZ-GCJKJVERSA-N 2 2 363.505 4.052 20 30 FIEDLP COc1cc(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)ccc1C#N ZINC000442885731 1092839842 /nfs/dbraw/zinc/83/98/42/1092839842.db2.gz OCUQFOUBZVUDKZ-GCJKJVERSA-N 2 2 363.505 4.052 20 30 FIEDLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(C#N)cc1Cl ZINC000398053724 1093807023 /nfs/dbraw/zinc/80/70/23/1093807023.db2.gz YQGYYZPPVFNNBZ-HRAATJIYSA-N 2 2 353.897 4.212 20 30 FIEDLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(C#N)cc1Cl ZINC000398053724 1093807027 /nfs/dbraw/zinc/80/70/27/1093807027.db2.gz YQGYYZPPVFNNBZ-HRAATJIYSA-N 2 2 353.897 4.212 20 30 FIEDLP CC[C@H]([NH2+][C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)c1ccc(C#N)cc1 ZINC000423380373 1096660441 /nfs/dbraw/zinc/66/04/41/1096660441.db2.gz YNMQHWROBRSAQK-DZFGPLHGSA-N 2 2 355.432 4.023 20 30 FIEDLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000428653795 1099969173 /nfs/dbraw/zinc/96/91/73/1099969173.db2.gz XVUKMKNRONRHSE-HXUWFJFHSA-N 2 2 370.500 4.413 20 30 FIEDLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000428653795 1099969178 /nfs/dbraw/zinc/96/91/78/1099969178.db2.gz XVUKMKNRONRHSE-HXUWFJFHSA-N 2 2 370.500 4.413 20 30 FIEDLP COc1ccc(C#N)cc1C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000438449833 1100661813 /nfs/dbraw/zinc/66/18/13/1100661813.db2.gz MXXWIFUASGQIDL-XMSQKQJNSA-N 2 2 363.505 4.052 20 30 FIEDLP COc1ccc(C#N)cc1C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000438449833 1100661818 /nfs/dbraw/zinc/66/18/18/1100661818.db2.gz MXXWIFUASGQIDL-XMSQKQJNSA-N 2 2 363.505 4.052 20 30 FIEDLP COc1ccc(C#N)cc1C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000438449833 1100661824 /nfs/dbraw/zinc/66/18/24/1100661824.db2.gz MXXWIFUASGQIDL-XMSQKQJNSA-N 2 2 363.505 4.052 20 30 FIEDLP COc1ccc(C#N)cc1C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000438449833 1100661827 /nfs/dbraw/zinc/66/18/27/1100661827.db2.gz MXXWIFUASGQIDL-XMSQKQJNSA-N 2 2 363.505 4.052 20 30 FIEDLP C[C@H](C(=O)NC1CCCCC1)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000328652837 1104524089 /nfs/dbraw/zinc/52/40/89/1104524089.db2.gz KRTOTAGBHRBTJV-IAGOWNOFSA-N 2 2 358.530 4.077 20 30 FIEDLP C[C@H](C(=O)NC1CCCCC1)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000328652837 1104524096 /nfs/dbraw/zinc/52/40/96/1104524096.db2.gz KRTOTAGBHRBTJV-IAGOWNOFSA-N 2 2 358.530 4.077 20 30 FIEDLP C=CCOc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)cc1OC ZINC000524460400 1109022485 /nfs/dbraw/zinc/02/24/85/1109022485.db2.gz PBYFMLFRWSGJMZ-NRFANRHFSA-N 2 2 366.505 4.014 20 30 FIEDLP C=CCOc1ccc(C[NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)cc1OC ZINC000524460400 1109022490 /nfs/dbraw/zinc/02/24/90/1109022490.db2.gz PBYFMLFRWSGJMZ-NRFANRHFSA-N 2 2 366.505 4.014 20 30 FIEDLP C=CC[NH+]1CCC([NH2+][C@@H](Cc2cccc(F)c2)c2cccc(F)c2)CC1 ZINC000482630925 1113315081 /nfs/dbraw/zinc/31/50/81/1113315081.db2.gz QMSAESZEGJEART-QFIPXVFZSA-N 2 2 356.460 4.489 20 30 FIEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]C/C=C/c3ccc(F)cc3F)CC2)c1 ZINC000593693085 1115796162 /nfs/dbraw/zinc/79/61/62/1115796162.db2.gz OJISNQAUSMMPPV-GORDUTHDSA-N 2 2 367.443 4.104 20 30 FIEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2cnn(-c3cc(C)ccc3C)c2C)CC1 ZINC000177905045 1119360937 /nfs/dbraw/zinc/36/09/37/1119360937.db2.gz FYCSMAOQQLAWLA-GOSISDBHSA-N 2 2 352.526 4.099 20 30 FIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCCOc4ccccc43)CC2)cc1 ZINC000181642949 1125086104 /nfs/dbraw/zinc/08/61/04/1125086104.db2.gz ZJSLNNBTGORBEC-JOCHJYFZSA-N 2 2 361.489 4.026 20 30 FIEDLP Cc1cc(C)cc(C[C@H](C)[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000538409165 1084085419 /nfs/dbraw/zinc/08/54/19/1084085419.db2.gz HKZHBJBNWCYQGA-FQEVSTJZSA-N 2 2 361.533 4.360 20 30 FIEDLP CC1CC[NH+](CCc2cccc(NC(=O)[C@H]3CCn4c[nH+]cc4C3)c2)CC1 ZINC000329120263 1094746950 /nfs/dbraw/zinc/74/69/50/1094746950.db2.gz VPRJPLWPJABAMB-IBGZPJMESA-N 2 2 366.509 4.008 20 30 FIEDLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NC2CC[NH+](CC3CCCC3)CC2)c1 ZINC000329247796 1094795928 /nfs/dbraw/zinc/79/59/28/1094795928.db2.gz SDNPIBICSNSXJI-UHFFFAOYSA-N 2 2 366.509 4.140 20 30 FIEDLP C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000329370606 1094869241 /nfs/dbraw/zinc/86/92/41/1094869241.db2.gz LWHVUWYZOFGBIK-IEBWSBKVSA-N 2 2 372.557 4.324 20 30 FIEDLP C[C@@H]1CCCC[N@H+]1CCNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000329370606 1094869258 /nfs/dbraw/zinc/86/92/58/1094869258.db2.gz LWHVUWYZOFGBIK-IEBWSBKVSA-N 2 2 372.557 4.324 20 30 FIEDLP CC[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)c1ccc(C#N)cc1 ZINC000423380374 1096660525 /nfs/dbraw/zinc/66/05/25/1096660525.db2.gz YNMQHWROBRSAQK-JRGCBEDISA-N 2 2 355.432 4.023 20 30 FIEDLP COc1ccc(C)cc1[C@@H](C)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000459653580 1100395672 /nfs/dbraw/zinc/39/56/72/1100395672.db2.gz XTLFDUQVHPYJDJ-GOSISDBHSA-N 2 2 363.505 4.191 20 30 FIEDLP C=CCOc1ccc(C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)cc1 ZINC000237143058 1101570513 /nfs/dbraw/zinc/57/05/13/1101570513.db2.gz PPEUJSUCZOEBBU-UHFFFAOYSA-N 2 2 365.521 4.076 20 30 FIEDLP N#CC1(c2ccccc2)CCC([NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000507642529 1103577813 /nfs/dbraw/zinc/57/78/13/1103577813.db2.gz CWGIQDYQOLKCIF-UHFFFAOYSA-N 2 2 370.500 4.425 20 30 FIEDLP Cc1cc(C)cc(C[C@@H](C)[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000538409166 1111129775 /nfs/dbraw/zinc/12/97/75/1111129775.db2.gz HKZHBJBNWCYQGA-HXUWFJFHSA-N 2 2 361.533 4.360 20 30 FIEDLP C=CC[NH+]1CCC([NH2+][C@H](c2ccc(Br)cc2F)C2CC2)CC1 ZINC000479069382 1111940280 /nfs/dbraw/zinc/94/02/80/1111940280.db2.gz PKOCBOWMZBQJJJ-SFHVURJKSA-N 2 2 367.306 4.279 20 30 FIEDLP C=C(C)[C@H]([NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C)c1ccc(F)c(F)c1 ZINC000479393033 1112011363 /nfs/dbraw/zinc/01/13/63/1112011363.db2.gz MKHSHBBOUADSOG-FQEVSTJZSA-N 2 2 354.404 4.261 20 30 FIEDLP C[C@H]([NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1ccc(C#N)c(F)c1 ZINC000479461923 1112033552 /nfs/dbraw/zinc/03/35/52/1112033552.db2.gz ATHVRQYAWNAMMR-CDEQTRAXSA-N 2 2 369.406 4.153 20 30 FIEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)[C@@H](C)Oc2ccc(Cl)cc2Cl)CC1 ZINC000482651188 1113323292 /nfs/dbraw/zinc/32/32/92/1113323292.db2.gz XHEBNCUTQLRUAH-UONOGXRCSA-N 2 2 357.325 4.389 20 30 FIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C3CCC4(CC4(F)F)CC3)CC2)cc1 ZINC000594982179 1115505500 /nfs/dbraw/zinc/50/55/00/1115505500.db2.gz CONOFLJCGUBNAM-UHFFFAOYSA-N 2 2 359.464 4.080 20 30 FIEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]Cc3cccc4ccccc43)CC2)c1 ZINC000593687209 1115795258 /nfs/dbraw/zinc/79/52/58/1115795258.db2.gz GWPSITCMSNIRKW-UHFFFAOYSA-N 2 2 355.485 4.466 20 30 FIEDLP C[C@H](C[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1)c1cc(F)cc(F)c1 ZINC000593696257 1115797351 /nfs/dbraw/zinc/79/73/51/1115797351.db2.gz ZIVQQIHZKXDEPT-MRXNPFEDSA-N 2 2 369.459 4.194 20 30 FIEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCc3c2cc(Cl)cc3Br)CC1 ZINC000534793505 1116237089 /nfs/dbraw/zinc/23/70/89/1116237089.db2.gz XQCWFBRNJINCCR-QGZVFWFLSA-N 2 2 369.734 4.330 20 30 FIEDLP CCOc1ccc(C[N@H+](CCCn2cc[nH+]c2)Cc2ccccc2C#N)cc1 ZINC000540320350 1117983699 /nfs/dbraw/zinc/98/36/99/1117983699.db2.gz JJSAXCGTEIQUEL-UHFFFAOYSA-N 2 2 374.488 4.246 20 30 FIEDLP CCOc1ccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2ccccc2C#N)cc1 ZINC000540320350 1117983705 /nfs/dbraw/zinc/98/37/05/1117983705.db2.gz JJSAXCGTEIQUEL-UHFFFAOYSA-N 2 2 374.488 4.246 20 30 FIEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2cnn(-c3cccc(Cl)c3)c2C)CC1 ZINC000177904890 1119359862 /nfs/dbraw/zinc/35/98/62/1119359862.db2.gz UVPKBOBGEZNONM-HNNXBMFYSA-N 2 2 358.917 4.135 20 30 FIEDLP C[C@H]([NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1)c1ccc(OCC#N)cc1 ZINC000152955907 1119552878 /nfs/dbraw/zinc/55/28/78/1119552878.db2.gz PWRZZHSKUAFRCQ-CVDCTZTESA-N 2 2 363.505 4.294 20 30 FIEDLP C[C@H]([NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1)c1ccc(OCC#N)cc1 ZINC000152955907 1119552883 /nfs/dbraw/zinc/55/28/83/1119552883.db2.gz PWRZZHSKUAFRCQ-CVDCTZTESA-N 2 2 363.505 4.294 20 30 FIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCc3ccc(Cl)s3)CC2)cc1 ZINC000181601691 1125051528 /nfs/dbraw/zinc/05/15/28/1125051528.db2.gz JNYXSIIRSSLHDW-UHFFFAOYSA-N 2 2 359.926 4.070 20 30 FIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CCc4cc(Cl)ccc43)CC2)cc1 ZINC000181621188 1125070642 /nfs/dbraw/zinc/07/06/42/1125070642.db2.gz MWZYMQABDUHGSD-QFIPXVFZSA-N 2 2 365.908 4.453 20 30 FIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCc4cc(Cl)ccc43)CC2)cc1 ZINC000181621167 1125070855 /nfs/dbraw/zinc/07/08/55/1125070855.db2.gz MWZYMQABDUHGSD-JOCHJYFZSA-N 2 2 365.908 4.453 20 30 FIEDLP CCOc1cccc([C@@H](C)[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000181625924 1125076048 /nfs/dbraw/zinc/07/60/48/1125076048.db2.gz GCGDSWXRYHEZFV-GOSISDBHSA-N 2 2 363.505 4.272 20 30 FIEDLP N#Cc1ccc(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)cc1Cl ZINC000619754502 1125681007 /nfs/dbraw/zinc/68/10/07/1125681007.db2.gz BJAMJIIEAZKMHW-UHFFFAOYSA-N 2 2 371.887 4.147 20 30 FIEDLP N#Cc1cccc(COc2cccc(C[N@@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)c2)c1 ZINC000092073269 1084154962 /nfs/dbraw/zinc/15/49/62/1084154962.db2.gz MAWHYQNWOGTLLE-OAQYLSRUSA-N 2 2 372.472 4.240 20 30 FIEDLP N#Cc1cccc(COc2cccc(C[N@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)c2)c1 ZINC000092073269 1084154967 /nfs/dbraw/zinc/15/49/67/1084154967.db2.gz MAWHYQNWOGTLLE-OAQYLSRUSA-N 2 2 372.472 4.240 20 30 FIEDLP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000581046876 1084510881 /nfs/dbraw/zinc/51/08/81/1084510881.db2.gz BKQURYQOGVDQPL-QHCPKHFHSA-N 2 2 370.500 4.403 20 30 FIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CCCc4sccc43)CC2)cc1 ZINC000134964567 1084660626 /nfs/dbraw/zinc/66/06/26/1084660626.db2.gz CTXBWMRFSDBEKN-FQEVSTJZSA-N 2 2 351.519 4.251 20 30 FIEDLP N#Cc1ccccc1-c1ccc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000091412193 1085419926 /nfs/dbraw/zinc/41/99/26/1085419926.db2.gz KVQVJSJSIUAFAS-UHFFFAOYSA-N 2 2 368.484 4.379 20 30 FIEDLP C[N@@H+]1CCC[C@@H]1CC[NH+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC001167705293 1088125848 /nfs/dbraw/zinc/12/58/48/1088125848.db2.gz IQZZCXJJOGWPFH-JOCHJYFZSA-N 2 2 351.469 4.184 20 30 FIEDLP C[N@H+]1CCC[C@@H]1CC[NH+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC001167705293 1088125853 /nfs/dbraw/zinc/12/58/53/1088125853.db2.gz IQZZCXJJOGWPFH-JOCHJYFZSA-N 2 2 351.469 4.184 20 30 FIEDLP C[NH+]1CCC[C@@H]1CC[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC001167705293 1088125865 /nfs/dbraw/zinc/12/58/65/1088125865.db2.gz IQZZCXJJOGWPFH-JOCHJYFZSA-N 2 2 351.469 4.184 20 30 FIEDLP C[NH+]1CCC[C@@H]1CC[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC001167705293 1088125879 /nfs/dbraw/zinc/12/58/79/1088125879.db2.gz IQZZCXJJOGWPFH-JOCHJYFZSA-N 2 2 351.469 4.184 20 30 FIEDLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1ccc(C#N)cc1F ZINC000512627547 1093025748 /nfs/dbraw/zinc/02/57/48/1093025748.db2.gz AMJTTWHLZSBEJJ-UVFQYZLESA-N 2 2 357.498 4.493 20 30 FIEDLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1ccc(C#N)cc1F ZINC000512627547 1093025759 /nfs/dbraw/zinc/02/57/59/1093025759.db2.gz AMJTTWHLZSBEJJ-UVFQYZLESA-N 2 2 357.498 4.493 20 30 FIEDLP CC[N@H+](CC#Cc1ccc(Cl)cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000426464841 1101674018 /nfs/dbraw/zinc/67/40/18/1101674018.db2.gz YFQDKFFEHQTKIZ-UHFFFAOYSA-N 2 2 367.924 4.325 20 30 FIEDLP CC[N@@H+](CC#Cc1ccc(Cl)cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000426464841 1101674030 /nfs/dbraw/zinc/67/40/30/1101674030.db2.gz YFQDKFFEHQTKIZ-UHFFFAOYSA-N 2 2 367.924 4.325 20 30 FIEDLP O=C(CC[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)Nc1cccc(F)c1 ZINC000328644214 1104522678 /nfs/dbraw/zinc/52/26/78/1104522678.db2.gz FWKJCNJTHGEEMD-INIZCTEOSA-N 2 2 370.472 4.216 20 30 FIEDLP O=C(CC[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)Nc1cccc(F)c1 ZINC000328644214 1104522688 /nfs/dbraw/zinc/52/26/88/1104522688.db2.gz FWKJCNJTHGEEMD-INIZCTEOSA-N 2 2 370.472 4.216 20 30 FIEDLP C[C@@H](C(=O)NC1CCC(C)CC1)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000328653756 1104526283 /nfs/dbraw/zinc/52/62/83/1104526283.db2.gz LIGNJVCUFDJDMY-CXUOOODFSA-N 2 2 372.557 4.323 20 30 FIEDLP C[C@@H](C(=O)NC1CCC(C)CC1)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000328653756 1104526293 /nfs/dbraw/zinc/52/62/93/1104526293.db2.gz LIGNJVCUFDJDMY-CXUOOODFSA-N 2 2 372.557 4.323 20 30 FIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CCCc4c(F)cccc43)CC2)cc1 ZINC000449347099 1110037215 /nfs/dbraw/zinc/03/72/15/1110037215.db2.gz BJDBAROMCJAZIF-QHCPKHFHSA-N 2 2 363.480 4.329 20 30 FIEDLP CC1(C#N)CC[NH+](Cc2ccc(F)c(C[NH+]3CCC(C)(C#N)CC3)c2)CC1 ZINC000450715859 1110334467 /nfs/dbraw/zinc/33/44/67/1110334467.db2.gz XTZYUYMTGBUEEI-UHFFFAOYSA-N 2 2 368.500 4.077 20 30 FIEDLP Cc1ccc(CC[C@H](C)[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)o1 ZINC000538393472 1111121768 /nfs/dbraw/zinc/12/17/68/1111121768.db2.gz LLWLLQYHLPQSLK-KRWDZBQOSA-N 2 2 351.494 4.035 20 30 FIEDLP CC[N@@H+](Cc1ccc(Cl)cc1C#N)CC1CCN(c2cccc[nH+]2)CC1 ZINC000480528021 1112469864 /nfs/dbraw/zinc/46/98/64/1112469864.db2.gz PXUZLRUDCGNNMI-UHFFFAOYSA-N 2 2 368.912 4.345 20 30 FIEDLP CC[N@H+](Cc1ccc(Cl)cc1C#N)CC1CCN(c2cccc[nH+]2)CC1 ZINC000480528021 1112469866 /nfs/dbraw/zinc/46/98/66/1112469866.db2.gz PXUZLRUDCGNNMI-UHFFFAOYSA-N 2 2 368.912 4.345 20 30 FIEDLP CC(C)(C#N)c1ccc(C[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)cc1 ZINC000594510828 1115456364 /nfs/dbraw/zinc/45/63/64/1115456364.db2.gz LNMIGBLCGUXBBS-UHFFFAOYSA-N 2 2 372.516 4.114 20 30 FIEDLP CC[C@@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1F ZINC000594511850 1115456967 /nfs/dbraw/zinc/45/69/67/1115456967.db2.gz QZDFGXLUHMHWEL-JOCHJYFZSA-N 2 2 351.469 4.403 20 30 FIEDLP N#CC1(c2ccc(C[N@@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)cc2)CC1 ZINC000597128388 1115642401 /nfs/dbraw/zinc/64/24/01/1115642401.db2.gz CUVHOTYLSALNBO-IBGZPJMESA-N 2 2 360.505 4.154 20 30 FIEDLP N#CC1(c2ccc(C[N@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)cc2)CC1 ZINC000597128388 1115642403 /nfs/dbraw/zinc/64/24/03/1115642403.db2.gz CUVHOTYLSALNBO-IBGZPJMESA-N 2 2 360.505 4.154 20 30 FIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CCCc4ccc(F)cc43)CC2)cc1 ZINC000463241545 1118048546 /nfs/dbraw/zinc/04/85/46/1118048546.db2.gz DBRBJJNELNRNQF-QHCPKHFHSA-N 2 2 363.480 4.329 20 30 FIEDLP Cc1cc(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)ccc1Cl ZINC000541771529 1118643917 /nfs/dbraw/zinc/64/39/17/1118643917.db2.gz LHTRIGOTDAIHOW-UHFFFAOYSA-N 2 2 353.897 4.274 20 30 FIEDLP C[NH+]1CCN(c2cccc(Cl)c2C=[NH+]Nc2ccccc2Cl)CC1 ZINC000915934979 1121354429 /nfs/dbraw/zinc/35/44/29/1121354429.db2.gz IMOSGLAVUSLGSG-UHFFFAOYSA-N 2 2 363.292 4.191 20 30 FIEDLP Cc1ccc(SCC[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000181416209 1124911426 /nfs/dbraw/zinc/91/14/26/1124911426.db2.gz OKMFGKIEIRVLPL-UHFFFAOYSA-N 2 2 365.546 4.213 20 30 FIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCc3ccccc3Cl)CC2)cc1 ZINC000181625087 1125076557 /nfs/dbraw/zinc/07/65/57/1125076557.db2.gz RHVOXUZXMOYLHE-UHFFFAOYSA-N 2 2 353.897 4.008 20 30 FIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCCc3c[nH]c4ccccc34)CC2)cc1 ZINC000181725175 1125120381 /nfs/dbraw/zinc/12/03/81/1125120381.db2.gz KOLJSQBFIVFGRO-UHFFFAOYSA-N 2 2 372.516 4.226 20 30 FIEDLP N#CC1(c2ccccc2)CCC([NH2+]Cc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000535784838 1083659758 /nfs/dbraw/zinc/65/97/58/1083659758.db2.gz RRRBHZVHJGVAOD-UHFFFAOYSA-N 2 2 356.473 4.366 20 30 FIEDLP C=CC[NH+]1CCC([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccccc2)CC1 ZINC000236663767 1083903294 /nfs/dbraw/zinc/90/32/94/1083903294.db2.gz BSCNFJQMQBCTQA-UHFFFAOYSA-N 2 2 372.516 4.279 20 30 FIEDLP N#Cc1ccc(C[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)c(C(F)(F)F)c1 ZINC000562071595 1085071387 /nfs/dbraw/zinc/07/13/87/1085071387.db2.gz HEROVNSZFNFJBF-UHFFFAOYSA-N 2 2 356.351 4.053 20 30 FIEDLP N#Cc1ccc(C[N@@H+](CCn2cc[nH+]c2)Cc2cccc(Cl)c2)s1 ZINC000514759328 1089444148 /nfs/dbraw/zinc/44/41/48/1089444148.db2.gz ZUHXVFXCIAEFFU-UHFFFAOYSA-N 2 2 356.882 4.172 20 30 FIEDLP N#Cc1ccc(C[N@H+](CCn2cc[nH+]c2)Cc2cccc(Cl)c2)s1 ZINC000514759328 1089444159 /nfs/dbraw/zinc/44/41/59/1089444159.db2.gz ZUHXVFXCIAEFFU-UHFFFAOYSA-N 2 2 356.882 4.172 20 30 FIEDLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(C#N)cc1F ZINC000512659625 1093095117 /nfs/dbraw/zinc/09/51/17/1093095117.db2.gz ISXKQVLRUMWGFJ-RDJZCZTQSA-N 2 2 357.498 4.322 20 30 FIEDLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc(C#N)cc1F ZINC000512659625 1093095122 /nfs/dbraw/zinc/09/51/22/1093095122.db2.gz ISXKQVLRUMWGFJ-RDJZCZTQSA-N 2 2 357.498 4.322 20 30 FIEDLP C[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccc(C#N)cc1F ZINC000512662210 1093101657 /nfs/dbraw/zinc/10/16/57/1093101657.db2.gz WIEZPGBIKMOBRL-KRWDZBQOSA-N 2 2 351.469 4.055 20 30 FIEDLP N#Cc1ccc(C[NH+]2CCN(c3cc[nH+]c4ccc(Cl)cc43)CC2)cc1 ZINC000513619396 1094239644 /nfs/dbraw/zinc/23/96/44/1094239644.db2.gz MARVBGWQIHKLJZ-UHFFFAOYSA-N 2 2 362.864 4.082 20 30 FIEDLP C=C(C)[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(F)c(F)c1 ZINC000420924131 1095167140 /nfs/dbraw/zinc/16/71/40/1095167140.db2.gz RXILZWWTZFIDSX-QFIPXVFZSA-N 2 2 372.459 4.204 20 30 FIEDLP Cc1c[nH+]ccc1OC1CC[NH+]([C@H](C)C(=O)N[C@@H]2CCCC[C@@H]2C)CC1 ZINC000330251109 1095435434 /nfs/dbraw/zinc/43/54/34/1095435434.db2.gz NGHSQTMQDBBFOG-KVSKMBFKSA-N 2 2 359.514 4.157 20 30 FIEDLP N#CC1(c2ccccc2)CCC([NH2+]Cc2ccccc2Cn2cc[nH+]c2)CC1 ZINC000551943710 1103797534 /nfs/dbraw/zinc/79/75/34/1103797534.db2.gz KIMRFQHHWKIYHX-UHFFFAOYSA-N 2 2 370.500 4.425 20 30 FIEDLP C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000328636361 1104522782 /nfs/dbraw/zinc/52/27/82/1104522782.db2.gz AHIJFWOHIFQQMF-LXZJYRNTSA-N 2 2 372.557 4.323 20 30 FIEDLP C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000328636361 1104522788 /nfs/dbraw/zinc/52/27/88/1104522788.db2.gz AHIJFWOHIFQQMF-LXZJYRNTSA-N 2 2 372.557 4.323 20 30 FIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H](c3ccccn3)C3CCC3)CC2)cc1 ZINC000527771063 1109826085 /nfs/dbraw/zinc/82/60/85/1109826085.db2.gz HZUBESHQFRUWPE-HSZRJFAPSA-N 2 2 360.505 4.049 20 30 FIEDLP N#CC[C@H]1CCC[NH+](Cc2cc(C[N@@H+]3CCC[C@@H](CC#N)C3)ccc2F)C1 ZINC000595623904 1115551410 /nfs/dbraw/zinc/55/14/10/1115551410.db2.gz YAFVEKKABCGERU-RBUKOAKNSA-N 2 2 368.500 4.077 20 30 FIEDLP N#CC[C@H]1CCC[NH+](Cc2cc(C[N@H+]3CCC[C@@H](CC#N)C3)ccc2F)C1 ZINC000595623904 1115551413 /nfs/dbraw/zinc/55/14/13/1115551413.db2.gz YAFVEKKABCGERU-RBUKOAKNSA-N 2 2 368.500 4.077 20 30 FIEDLP N#CC[C@H]1CCC[N@@H+](Cc2cc(C[NH+]3CCC[C@@H](CC#N)C3)ccc2F)C1 ZINC000595623904 1115551415 /nfs/dbraw/zinc/55/14/15/1115551415.db2.gz YAFVEKKABCGERU-RBUKOAKNSA-N 2 2 368.500 4.077 20 30 FIEDLP N#CC[C@H]1CCC[N@H+](Cc2cc(C[NH+]3CCC[C@@H](CC#N)C3)ccc2F)C1 ZINC000595623904 1115551418 /nfs/dbraw/zinc/55/14/18/1115551418.db2.gz YAFVEKKABCGERU-RBUKOAKNSA-N 2 2 368.500 4.077 20 30 FIEDLP C[C@H](C[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1)c1ccc(F)cc1 ZINC000593693129 1115796172 /nfs/dbraw/zinc/79/61/72/1115796172.db2.gz PWAZXNIRLQEFBO-QGZVFWFLSA-N 2 2 351.469 4.055 20 30 FIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3C[C@H](c4cccc(F)c4)C3)CC2)cc1 ZINC000463245767 1118052196 /nfs/dbraw/zinc/05/21/96/1118052196.db2.gz SXHAHSHJRICIKI-JKIUYZKVSA-N 2 2 363.480 4.198 20 30 FIEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCCc3nc(-c4ccccc4)sc32)CC1 ZINC000177905888 1119360564 /nfs/dbraw/zinc/36/05/64/1119360564.db2.gz QOORYMPPHVOIQT-GOSISDBHSA-N 2 2 353.535 4.428 20 30 FIEDLP CCN(CC)c1ccc(/C=[NH+]/C[C@@H](c2ccc(F)cc2)[NH+](C)C)c(O)c1 ZINC000917557539 1122361611 /nfs/dbraw/zinc/36/16/11/1122361611.db2.gz QMHINCCPWLPBNM-BTVXTAIASA-N 2 2 357.473 4.099 20 30 FIEDLP C[C@@H]1CCc2ccccc2[C@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000541846854 567977651 /nfs/dbraw/zinc/97/76/51/567977651.db2.gz BKXKBYBWJWXTIP-KOSHJBKYSA-N 2 2 359.517 4.436 20 30 FIEDLP CCCCO[C@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1(C)C ZINC000541909323 568203020 /nfs/dbraw/zinc/20/30/20/568203020.db2.gz GPMUMDPQXCCQMJ-VXKWHMMOSA-N 2 2 369.553 4.096 20 30 FIEDLP CC[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1ccc(C#N)cc1 ZINC000278730865 1087272658 /nfs/dbraw/zinc/27/26/58/1087272658.db2.gz MTJAXOVACKZBMN-OAQYLSRUSA-N 2 2 363.509 4.047 20 30 FIEDLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(C#N)cc1Cl ZINC000398053726 1093806678 /nfs/dbraw/zinc/80/66/78/1093806678.db2.gz YQGYYZPPVFNNBZ-IERDGZPVSA-N 2 2 353.897 4.212 20 30 FIEDLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(C#N)cc1Cl ZINC000398053726 1093806685 /nfs/dbraw/zinc/80/66/85/1093806685.db2.gz YQGYYZPPVFNNBZ-IERDGZPVSA-N 2 2 353.897 4.212 20 30 FIEDLP C[C@H](NC(=O)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccc2c(c1)CCCC2 ZINC000329924456 1095315312 /nfs/dbraw/zinc/31/53/12/1095315312.db2.gz HQAYMPRRSNFYDQ-OXJNMPFZSA-N 2 2 366.509 4.186 20 30 FIEDLP C[C@H](NC(=O)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccc2c(c1)CCCC2 ZINC000329924456 1095315328 /nfs/dbraw/zinc/31/53/28/1095315328.db2.gz HQAYMPRRSNFYDQ-OXJNMPFZSA-N 2 2 366.509 4.186 20 30 FIEDLP C[N@H+](CC#Cc1cccc(Cl)c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000437581364 1100008043 /nfs/dbraw/zinc/00/80/43/1100008043.db2.gz RSDUMVLRWDOWRW-NRFANRHFSA-N 2 2 352.909 4.145 20 30 FIEDLP C[N@@H+](CC#Cc1cccc(Cl)c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000437581364 1100008064 /nfs/dbraw/zinc/00/80/64/1100008064.db2.gz RSDUMVLRWDOWRW-NRFANRHFSA-N 2 2 352.909 4.145 20 30 FIEDLP C[NH+](CC#Cc1cccc(Cl)c1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000437581364 1100008073 /nfs/dbraw/zinc/00/80/73/1100008073.db2.gz RSDUMVLRWDOWRW-NRFANRHFSA-N 2 2 352.909 4.145 20 30 FIEDLP C[NH+](CC#Cc1cccc(Cl)c1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000437581364 1100008087 /nfs/dbraw/zinc/00/80/87/1100008087.db2.gz RSDUMVLRWDOWRW-NRFANRHFSA-N 2 2 352.909 4.145 20 30 FIEDLP N#Cc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)s1 ZINC000536676782 1100169447 /nfs/dbraw/zinc/16/94/47/1100169447.db2.gz NVPOSHWOZNKMST-NRFANRHFSA-N 2 2 351.519 4.108 20 30 FIEDLP N#Cc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)s1 ZINC000536676782 1100169471 /nfs/dbraw/zinc/16/94/71/1100169471.db2.gz NVPOSHWOZNKMST-NRFANRHFSA-N 2 2 351.519 4.108 20 30 FIEDLP N#Cc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)s1 ZINC000536676782 1100169483 /nfs/dbraw/zinc/16/94/83/1100169483.db2.gz NVPOSHWOZNKMST-NRFANRHFSA-N 2 2 351.519 4.108 20 30 FIEDLP N#Cc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)s1 ZINC000536676782 1100169490 /nfs/dbraw/zinc/16/94/90/1100169490.db2.gz NVPOSHWOZNKMST-NRFANRHFSA-N 2 2 351.519 4.108 20 30 FIEDLP C[N@H+](CC#Cc1ccccc1Cl)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000441165881 1104178241 /nfs/dbraw/zinc/17/82/41/1104178241.db2.gz JHDNUSPBBLGWHP-HXUWFJFHSA-N 2 2 352.909 4.145 20 30 FIEDLP C[N@@H+](CC#Cc1ccccc1Cl)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000441165881 1104178248 /nfs/dbraw/zinc/17/82/48/1104178248.db2.gz JHDNUSPBBLGWHP-HXUWFJFHSA-N 2 2 352.909 4.145 20 30 FIEDLP C[NH+](CC#Cc1ccccc1Cl)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000441165881 1104178253 /nfs/dbraw/zinc/17/82/53/1104178253.db2.gz JHDNUSPBBLGWHP-HXUWFJFHSA-N 2 2 352.909 4.145 20 30 FIEDLP C[NH+](CC#Cc1ccccc1Cl)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000441165881 1104178256 /nfs/dbraw/zinc/17/82/56/1104178256.db2.gz JHDNUSPBBLGWHP-HXUWFJFHSA-N 2 2 352.909 4.145 20 30 FIEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cnc(-c3c(F)cccc3F)s2)CC1 ZINC000449126794 1109981352 /nfs/dbraw/zinc/98/13/52/1109981352.db2.gz VUSZVJAYTSMHTH-UHFFFAOYSA-N 2 2 363.477 4.218 20 30 FIEDLP CN1CCC[C@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)c2ccccc21 ZINC000449655402 1110138162 /nfs/dbraw/zinc/13/81/62/1110138162.db2.gz YYNPNGMVOVBZPT-QHCPKHFHSA-N 2 2 374.532 4.084 20 30 FIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H](c3cccs3)C3CC3)CC2)cc1 ZINC000538397706 1111123376 /nfs/dbraw/zinc/12/33/76/1111123376.db2.gz TVFGESYUWZTIAH-OAQYLSRUSA-N 2 2 351.519 4.325 20 30 FIEDLP C=CC[NH+]1CCC([NH2+][C@@H](Cc2ccccc2)c2ccc(OC)cc2)CC1 ZINC000573732346 1115178800 /nfs/dbraw/zinc/17/88/00/1115178800.db2.gz AUHJYEDIIRYZDU-QHCPKHFHSA-N 2 2 350.506 4.219 20 30 FIEDLP Cc1cc(F)ccc1C[C@@H](C)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000594956209 1115502297 /nfs/dbraw/zinc/50/22/97/1115502297.db2.gz IDUWOSJOJCRCHV-GOSISDBHSA-N 2 2 365.496 4.191 20 30 FIEDLP C[NH+]1CCC([N@H+](Cc2ccccc2)Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000597133368 1115642691 /nfs/dbraw/zinc/64/26/91/1115642691.db2.gz SOHRLMZVOOFDRG-UHFFFAOYSA-N 2 2 359.517 4.338 20 30 FIEDLP C[NH+]1CCC([N@@H+](Cc2ccccc2)Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000597133368 1115642693 /nfs/dbraw/zinc/64/26/93/1115642693.db2.gz SOHRLMZVOOFDRG-UHFFFAOYSA-N 2 2 359.517 4.338 20 30 FIEDLP CCCOc1ccc(C[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)cc1 ZINC000593688438 1115793369 /nfs/dbraw/zinc/79/33/69/1115793369.db2.gz ROZHFBCJKWYHEC-UHFFFAOYSA-N 2 2 363.505 4.101 20 30 FIEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]C/C=C\c3ccc(F)cc3F)CC2)c1 ZINC000593693084 1115796358 /nfs/dbraw/zinc/79/63/58/1115796358.db2.gz OJISNQAUSMMPPV-DJWKRKHSSA-N 2 2 367.443 4.104 20 30 FIEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]CCSCc3ccccc3)CC2)c1 ZINC000593703392 1115800179 /nfs/dbraw/zinc/80/01/79/1115800179.db2.gz SQXVWMVHWPPLFN-UHFFFAOYSA-N 2 2 365.546 4.046 20 30 FIEDLP CSc1ccc(CC[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000463249441 1118053386 /nfs/dbraw/zinc/05/33/86/1118053386.db2.gz ZKAWBUIUQIXDOM-UHFFFAOYSA-N 2 2 365.546 4.077 20 30 FIEDLP C=CC[NH+]1CCC([NH2+][C@@H](Cc2cccc(OC)c2)c2ccccc2)CC1 ZINC000177906317 1119360921 /nfs/dbraw/zinc/36/09/21/1119360921.db2.gz ODUJERGRPCTXQG-QHCPKHFHSA-N 2 2 350.506 4.219 20 30 FIEDLP COc1ccc([C@@H](CCC#N)[NH2+]CCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000556064247 1122636322 /nfs/dbraw/zinc/63/63/22/1122636322.db2.gz YKLRSAILINIAPL-HSZRJFAPSA-N 2 2 363.505 4.078 20 30 FIEDLP COc1ccc([C@@H](CCC#N)[NH2+]CCC[N@H+]2CCc3ccccc3C2)cc1 ZINC000556064247 1122636329 /nfs/dbraw/zinc/63/63/29/1122636329.db2.gz YKLRSAILINIAPL-HSZRJFAPSA-N 2 2 363.505 4.078 20 30 FIEDLP CSc1ccc(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000181569451 1125018914 /nfs/dbraw/zinc/01/89/14/1125018914.db2.gz CLSHXPRMJOBBIZ-UHFFFAOYSA-N 2 2 351.519 4.034 20 30 FIEDLP C=C(C)COc1cc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)ccc1OC ZINC000093564191 1125439823 /nfs/dbraw/zinc/43/98/23/1125439823.db2.gz URUCCCWREUFMQF-FQEVSTJZSA-N 2 2 358.526 4.100 20 30 FIEDLP C=C(C)COc1cc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)ccc1OC ZINC000093564191 1125439825 /nfs/dbraw/zinc/43/98/25/1125439825.db2.gz URUCCCWREUFMQF-FQEVSTJZSA-N 2 2 358.526 4.100 20 30 FIEDLP CCCCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1(C)C ZINC000541909322 568216083 /nfs/dbraw/zinc/21/60/83/568216083.db2.gz GPMUMDPQXCCQMJ-FGZHOGPDSA-N 2 2 369.553 4.096 20 30 FIEDLP CC[N@@H+](Cc1cc(Cl)cc(C#N)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC001167499302 1084022768 /nfs/dbraw/zinc/02/27/68/1084022768.db2.gz GAIVPVZBZFGWJY-UHFFFAOYSA-N 2 2 368.912 4.345 20 30 FIEDLP CC[N@H+](Cc1cc(Cl)cc(C#N)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC001167499302 1084022781 /nfs/dbraw/zinc/02/27/81/1084022781.db2.gz GAIVPVZBZFGWJY-UHFFFAOYSA-N 2 2 368.912 4.345 20 30 FIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCCc4sccc43)CC2)cc1 ZINC000134964546 1084663035 /nfs/dbraw/zinc/66/30/35/1084663035.db2.gz CTXBWMRFSDBEKN-HXUWFJFHSA-N 2 2 351.519 4.251 20 30 FIEDLP C=CCc1cc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c(O)c(OC)c1 ZINC000782944885 1088714150 /nfs/dbraw/zinc/71/41/50/1088714150.db2.gz LLKPQTOHSGSDHU-UHFFFAOYSA-N 2 2 369.509 4.018 20 30 FIEDLP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H](C)c2ccc(C#N)cc2F)CC1 ZINC000512620868 1092998929 /nfs/dbraw/zinc/99/89/29/1092998929.db2.gz TVPZVICMQCRVET-KRWDZBQOSA-N 2 2 351.469 4.321 20 30 FIEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc(OCc3cccs3)c(OC)c2)CC1 ZINC000237115664 1093990910 /nfs/dbraw/zinc/99/09/10/1093990910.db2.gz PNIXNIBCHDFQFZ-UHFFFAOYSA-N 2 2 372.534 4.076 20 30 FIEDLP C=CCOc1cccc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000502320859 1095344931 /nfs/dbraw/zinc/34/49/31/1095344931.db2.gz NCBOAQGXINIUCV-IBGZPJMESA-N 2 2 351.494 4.164 20 30 FIEDLP C=CCOc1cccc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000502320859 1095344944 /nfs/dbraw/zinc/34/49/44/1095344944.db2.gz NCBOAQGXINIUCV-IBGZPJMESA-N 2 2 351.494 4.164 20 30 FIEDLP C[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccc(C#N)c(F)c1 ZINC000538507435 1111172822 /nfs/dbraw/zinc/17/28/22/1111172822.db2.gz DSXUXAZIPCQABI-KRWDZBQOSA-N 2 2 351.469 4.055 20 30 FIEDLP N#Cc1ccccc1OC1CCC([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000111408892 1114310049 /nfs/dbraw/zinc/31/00/49/1114310049.db2.gz CAVKUUPAPMCCSW-UHFFFAOYSA-N 2 2 372.472 4.224 20 30 FIEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]Cc3ccc4ccccc4c3)CC2)c1 ZINC000593687633 1115792727 /nfs/dbraw/zinc/79/27/27/1115792727.db2.gz KLMPERCXAFDVLZ-UHFFFAOYSA-N 2 2 355.485 4.466 20 30 FIEDLP C=CC[NH+]1CCC([NH2+][C@H](CSC)c2ccc(C(F)(F)F)cc2)CC1 ZINC000540987743 1118338481 /nfs/dbraw/zinc/33/84/81/1118338481.db2.gz ZWTDTWQHMMKDGL-QGZVFWFLSA-N 2 2 358.473 4.350 20 30 FIEDLP C[C@H]([NH2+]C(C)(C)C[NH2+]Cc1ccc(N(C)CCC#N)cc1)c1ccccc1 ZINC000152247710 1119172246 /nfs/dbraw/zinc/17/22/46/1119172246.db2.gz OSKYHNOBXXTKAT-IBGZPJMESA-N 2 2 364.537 4.255 20 30 FIEDLP CCN(CC)c1ccc(/C=[NH+]/C[C@@H](C)[N@@H+]2CCc3ccccc3C2)c(O)c1 ZINC000914558021 1120361450 /nfs/dbraw/zinc/36/14/50/1120361450.db2.gz PFYOCTACQFSKJV-WCIBBKAISA-N 2 2 365.521 4.104 20 30 FIEDLP CCN(CC)c1ccc(/C=[NH+]/C[C@@H](C)[N@H+]2CCc3ccccc3C2)c(O)c1 ZINC000914558021 1120361456 /nfs/dbraw/zinc/36/14/56/1120361456.db2.gz PFYOCTACQFSKJV-WCIBBKAISA-N 2 2 365.521 4.104 20 30 FIEDLP COc1ccc([C@H](C)[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1F ZINC000181418261 1124911466 /nfs/dbraw/zinc/91/14/66/1124911466.db2.gz IKHQQLMRDHNJMY-INIZCTEOSA-N 2 2 367.468 4.021 20 30 FIEDLP CC(C)(C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccc(F)cc1 ZINC000181680467 1125099870 /nfs/dbraw/zinc/09/98/70/1125099870.db2.gz UNYNXNULFLXXHC-UHFFFAOYSA-N 2 2 365.496 4.229 20 30 FIEDLP Cc1ccc(C[C@H](C)[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000181778245 1125132068 /nfs/dbraw/zinc/13/20/68/1125132068.db2.gz XJQTYIADMMJRJJ-INIZCTEOSA-N 2 2 353.535 4.113 20 30 FIEDLP Cc1cccc2c(CC[NH2+]C3CC[NH+](Cc4ccc(C#N)cc4)CC3)c[nH]c21 ZINC000181807938 1125141898 /nfs/dbraw/zinc/14/18/98/1125141898.db2.gz NPTXNDRJRQRKSI-UHFFFAOYSA-N 2 2 372.516 4.145 20 30 FIEDLP CCS[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181866037 1125167951 /nfs/dbraw/zinc/16/79/51/1125167951.db2.gz VNEXVZQPYXEIRF-NHCUHLMSSA-N 2 2 357.567 4.177 20 30 FIEDLP CCOc1cc(C)ccc1C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181889235 1125169155 /nfs/dbraw/zinc/16/91/55/1125169155.db2.gz RAHBONRBGOMFEZ-UHFFFAOYSA-N 2 2 363.505 4.020 20 30 FIEDLP Cc1ccc(C[NH+]2CCC3(CCN(c4cc(CC#N)cc[nH+]4)CC3)CC2)cc1 ZINC001164758857 721045629 /nfs/dbraw/zinc/04/56/29/721045629.db2.gz CKKYCRNWALGGKX-UHFFFAOYSA-N 2 2 374.532 4.339 20 30 FIEDLP Cc1ccc2oc(C[NH2+]C3CC[NH+](Cc4ccc(C#N)cc4)CC3)cc2c1 ZINC000581737714 1082855856 /nfs/dbraw/zinc/85/58/56/1082855856.db2.gz PMXFVDCFHYTPCC-UHFFFAOYSA-N 2 2 359.473 4.367 20 30 FIEDLP COc1ccc(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)cc1C#N ZINC000610994707 1083946622 /nfs/dbraw/zinc/94/66/22/1083946622.db2.gz NJSYGEDGMQNNEI-GCJKJVERSA-N 2 2 363.505 4.052 20 30 FIEDLP COc1ccc(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)cc1C#N ZINC000610994707 1083946625 /nfs/dbraw/zinc/94/66/25/1083946625.db2.gz NJSYGEDGMQNNEI-GCJKJVERSA-N 2 2 363.505 4.052 20 30 FIEDLP COc1ccc(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1C#N ZINC000610994707 1083946628 /nfs/dbraw/zinc/94/66/28/1083946628.db2.gz NJSYGEDGMQNNEI-GCJKJVERSA-N 2 2 363.505 4.052 20 30 FIEDLP COc1ccc(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1C#N ZINC000610994707 1083946632 /nfs/dbraw/zinc/94/66/32/1083946632.db2.gz NJSYGEDGMQNNEI-GCJKJVERSA-N 2 2 363.505 4.052 20 30 FIEDLP N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)C1 ZINC000511054314 1084428768 /nfs/dbraw/zinc/42/87/68/1084428768.db2.gz KTFAKVCWYKMYQH-AYVPJYCDSA-N 2 2 359.517 4.327 20 30 FIEDLP N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)C1 ZINC000511054314 1084428776 /nfs/dbraw/zinc/42/87/76/1084428776.db2.gz KTFAKVCWYKMYQH-AYVPJYCDSA-N 2 2 359.517 4.327 20 30 FIEDLP N#C[C@H]1CCC[C@H]([NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)C1 ZINC000511054317 1084429216 /nfs/dbraw/zinc/42/92/16/1084429216.db2.gz KTFAKVCWYKMYQH-TWDDROGUSA-N 2 2 359.517 4.327 20 30 FIEDLP N#C[C@H]1CCC[C@H]([NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)C1 ZINC000511054317 1084429222 /nfs/dbraw/zinc/42/92/22/1084429222.db2.gz KTFAKVCWYKMYQH-TWDDROGUSA-N 2 2 359.517 4.327 20 30 FIEDLP Cc1cccc([C@@H]2CCC[NH+]2CC#CC[N@H+]2CCC[C@H]2c2cccc(C)n2)n1 ZINC000560159496 1085090416 /nfs/dbraw/zinc/09/04/16/1085090416.db2.gz QEYYPCGAFZJDGM-ZEQRLZLVSA-N 2 2 374.532 4.071 20 30 FIEDLP Cc1cccc([C@@H]2CCC[NH+]2CC#CC[N@@H+]2CCC[C@H]2c2cccc(C)n2)n1 ZINC000560159496 1085090422 /nfs/dbraw/zinc/09/04/22/1085090422.db2.gz QEYYPCGAFZJDGM-ZEQRLZLVSA-N 2 2 374.532 4.071 20 30 FIEDLP N#Cc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)c(C(F)(F)F)c1 ZINC000583663016 1086905970 /nfs/dbraw/zinc/90/59/70/1086905970.db2.gz IRPRQYCNYBTZBK-UHFFFAOYSA-N 2 2 374.341 4.192 20 30 FIEDLP C=CC[NH+]1CCC([NH2+][C@H](c2cccc(OC(F)(F)F)c2)C2CC2)CC1 ZINC000584069101 1087153816 /nfs/dbraw/zinc/15/38/16/1087153816.db2.gz RZITWYNPHATCJG-SFHVURJKSA-N 2 2 354.416 4.276 20 30 FIEDLP CCOc1ccc(C[N@H+](CCCn2cc[nH+]c2)Cc2ccc(C#N)cc2)cc1 ZINC000181433042 1088535437 /nfs/dbraw/zinc/53/54/37/1088535437.db2.gz NHRJDPCIXYRIST-UHFFFAOYSA-N 2 2 374.488 4.246 20 30 FIEDLP CCOc1ccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2ccc(C#N)cc2)cc1 ZINC000181433042 1088535453 /nfs/dbraw/zinc/53/54/53/1088535453.db2.gz NHRJDPCIXYRIST-UHFFFAOYSA-N 2 2 374.488 4.246 20 30 FIEDLP COc1cc(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)ccc1C#N ZINC000442885735 1092840061 /nfs/dbraw/zinc/84/00/61/1092840061.db2.gz OCUQFOUBZVUDKZ-XMSQKQJNSA-N 2 2 363.505 4.052 20 30 FIEDLP COc1cc(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)ccc1C#N ZINC000442885735 1092840068 /nfs/dbraw/zinc/84/00/68/1092840068.db2.gz OCUQFOUBZVUDKZ-XMSQKQJNSA-N 2 2 363.505 4.052 20 30 FIEDLP COc1cc(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)ccc1C#N ZINC000442885735 1092840074 /nfs/dbraw/zinc/84/00/74/1092840074.db2.gz OCUQFOUBZVUDKZ-XMSQKQJNSA-N 2 2 363.505 4.052 20 30 FIEDLP COc1cc(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)ccc1C#N ZINC000442885735 1092840081 /nfs/dbraw/zinc/84/00/81/1092840081.db2.gz OCUQFOUBZVUDKZ-XMSQKQJNSA-N 2 2 363.505 4.052 20 30 FIEDLP Cc1cc2cc(C[NH2+]C3CC[NH+](Cc4ccc(C#N)cc4)CC3)ccc2[nH]1 ZINC000573586753 1092948660 /nfs/dbraw/zinc/94/86/60/1092948660.db2.gz IJPXHXSTIANSLR-UHFFFAOYSA-N 2 2 358.489 4.102 20 30 FIEDLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1ccc(C#N)cc1F ZINC000512627548 1093027085 /nfs/dbraw/zinc/02/70/85/1093027085.db2.gz AMJTTWHLZSBEJJ-YYFZDKIDSA-N 2 2 357.498 4.493 20 30 FIEDLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1ccc(C#N)cc1F ZINC000512627548 1093027098 /nfs/dbraw/zinc/02/70/98/1093027098.db2.gz AMJTTWHLZSBEJJ-YYFZDKIDSA-N 2 2 357.498 4.493 20 30 FIEDLP COc1ccc(C)cc1[C@H](C)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000459653581 1100396651 /nfs/dbraw/zinc/39/66/51/1100396651.db2.gz XTLFDUQVHPYJDJ-SFHVURJKSA-N 2 2 363.505 4.191 20 30 FIEDLP C[C@@]1(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C[C@H]1c1ccccc1 ZINC000550255785 1102849283 /nfs/dbraw/zinc/84/92/83/1102849283.db2.gz UMWIIJRIJBKCQH-ZEQRLZLVSA-N 2 2 359.517 4.306 20 30 FIEDLP C[N@H+](CC#Cc1ccc(Cl)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000427026340 1103176667 /nfs/dbraw/zinc/17/66/67/1103176667.db2.gz JAYMWKYHRHGXQD-UHFFFAOYSA-N 2 2 352.909 4.288 20 30 FIEDLP C[N@@H+](CC#Cc1ccc(Cl)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000427026340 1103176678 /nfs/dbraw/zinc/17/66/78/1103176678.db2.gz JAYMWKYHRHGXQD-UHFFFAOYSA-N 2 2 352.909 4.288 20 30 FIEDLP C=CCC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCN(CC)CC2)cc1)c1ccco1 ZINC000514100085 1107138211 /nfs/dbraw/zinc/13/82/11/1107138211.db2.gz TWIBGJLYQVAPCX-JOCHJYFZSA-N 2 2 367.537 4.214 20 30 FIEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc(OC)c(OCc3ccccc3)c2)CC1 ZINC000237323500 1108820820 /nfs/dbraw/zinc/82/08/20/1108820820.db2.gz IQVRUHLQPYYQDR-UHFFFAOYSA-N 2 2 366.505 4.014 20 30 FIEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cnc(CCc3ccccc3)s2)CC1 ZINC000449125416 1109980725 /nfs/dbraw/zinc/98/07/25/1109980725.db2.gz SIFVGAKXZRJCQW-UHFFFAOYSA-N 2 2 355.551 4.058 20 30 FIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CC[C@@H]4CCCC[C@@H]4C3)CC2)cc1 ZINC000538399003 1111115406 /nfs/dbraw/zinc/11/54/06/1111115406.db2.gz YCQQQHKALXWQRJ-QZNHQXDQSA-N 2 2 351.538 4.471 20 30 FIEDLP N#Cc1ccc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c(C(F)(F)F)c1 ZINC000573170362 1115066502 /nfs/dbraw/zinc/06/65/02/1115066502.db2.gz VYLFQUHUNHFWRA-UHFFFAOYSA-N 2 2 373.422 4.331 20 30 FIEDLP CCOc1ccc(C[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)c(C)c1 ZINC000594947898 1115502112 /nfs/dbraw/zinc/50/21/12/1115502112.db2.gz IOQIQFOWJVVPJG-UHFFFAOYSA-N 2 2 363.505 4.020 20 30 FIEDLP CC[C@@H](Cc1ccc(F)cc1)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000594951989 1115502253 /nfs/dbraw/zinc/50/22/53/1115502253.db2.gz OUIJDQZTFHRUFD-QFIPXVFZSA-N 2 2 365.496 4.273 20 30 FIEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]CCc3ccc(Cl)cc3)CC2)c1 ZINC000593695364 1115799304 /nfs/dbraw/zinc/79/93/04/1115799304.db2.gz LZYVYPRCUWEFMC-UHFFFAOYSA-N 2 2 353.897 4.008 20 30 FIEDLP C[C@H](C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccc(F)cc1 ZINC000540592302 1118137726 /nfs/dbraw/zinc/13/77/26/1118137726.db2.gz ZMSZVUIUCOCVJQ-QGZVFWFLSA-N 2 2 351.469 4.055 20 30 FIEDLP C=CC[N@H+](Cc1ccc(Cl)s1)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000541536694 1118554346 /nfs/dbraw/zinc/55/43/46/1118554346.db2.gz IIKMLDUYOJEWPM-UHFFFAOYSA-N 2 2 358.898 4.479 20 30 FIEDLP C=CC[N@@H+](Cc1ccc(Cl)s1)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000541536694 1118554348 /nfs/dbraw/zinc/55/43/48/1118554348.db2.gz IIKMLDUYOJEWPM-UHFFFAOYSA-N 2 2 358.898 4.479 20 30 FIEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2cc(Br)ccc2F)CC1 ZINC000177916002 1119360592 /nfs/dbraw/zinc/36/05/92/1119360592.db2.gz CTHGVDJLMKJECQ-CYBMUJFWSA-N 2 2 355.295 4.279 20 30 FIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCCn3ccc4ccccc43)CC2)cc1 ZINC000181400473 1124903823 /nfs/dbraw/zinc/90/38/23/1124903823.db2.gz GQZJEWPMEAGLPF-UHFFFAOYSA-N 2 2 372.516 4.157 20 30 FIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CCSc4ccccc43)CC2)cc1 ZINC000181498614 1124976545 /nfs/dbraw/zinc/97/65/45/1124976545.db2.gz RBKFQQMNJPPOKU-NRFANRHFSA-N 2 2 363.530 4.349 20 30 FIEDLP C[C@H]1CCc2ccccc2[C@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000541846856 567963114 /nfs/dbraw/zinc/96/31/14/567963114.db2.gz BKXKBYBWJWXTIP-UUOWRZLLSA-N 2 2 359.517 4.436 20 30 FIEDLP CC[C@@H]([NH2+]CC#CC[NH2+][C@H](CC)c1nc(C)cs1)c1nc(C)cs1 ZINC000582375275 1084917544 /nfs/dbraw/zinc/91/75/44/1084917544.db2.gz GJZKHXOAKXRRHN-HZPDHXFCSA-N 2 2 362.568 4.001 20 30 FIEDLP C=CC[C@H](Cc1ccccc1)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000414312257 1085021082 /nfs/dbraw/zinc/02/10/82/1085021082.db2.gz ZKDLCCCKEKRZKK-XMMPIXPASA-N 2 2 359.517 4.300 20 30 FIEDLP CCOc1ccc(C[N@H+](CCCn2cc[nH+]c2)Cc2cccc(C#N)c2)cc1 ZINC000181502520 1088775898 /nfs/dbraw/zinc/77/58/98/1088775898.db2.gz SSYRUEHRPXWFNM-UHFFFAOYSA-N 2 2 374.488 4.246 20 30 FIEDLP CCOc1ccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2cccc(C#N)c2)cc1 ZINC000181502520 1088775913 /nfs/dbraw/zinc/77/59/13/1088775913.db2.gz SSYRUEHRPXWFNM-UHFFFAOYSA-N 2 2 374.488 4.246 20 30 FIEDLP COc1cc(C#N)ccc1C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000501207771 1094559313 /nfs/dbraw/zinc/55/93/13/1094559313.db2.gz IRCWIOCKPVGHFU-AVRDEDQJSA-N 2 2 363.505 4.052 20 30 FIEDLP COc1cc(C#N)ccc1C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000501207771 1094559321 /nfs/dbraw/zinc/55/93/21/1094559321.db2.gz IRCWIOCKPVGHFU-AVRDEDQJSA-N 2 2 363.505 4.052 20 30 FIEDLP COc1cc(C#N)ccc1C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000501207771 1094559324 /nfs/dbraw/zinc/55/93/24/1094559324.db2.gz IRCWIOCKPVGHFU-AVRDEDQJSA-N 2 2 363.505 4.052 20 30 FIEDLP COc1cc(C#N)ccc1C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000501207771 1094559330 /nfs/dbraw/zinc/55/93/30/1094559330.db2.gz IRCWIOCKPVGHFU-AVRDEDQJSA-N 2 2 363.505 4.052 20 30 FIEDLP C[C@H](NC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)C1=CC[N@H+](C)CC1 ZINC000329699647 1095150532 /nfs/dbraw/zinc/15/05/32/1095150532.db2.gz GFNUZWMEGQNVLK-QFBILLFUSA-N 2 2 370.541 4.100 20 30 FIEDLP C[C@H](NC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)C1=CC[N@@H+](C)CC1 ZINC000329699647 1095150544 /nfs/dbraw/zinc/15/05/44/1095150544.db2.gz GFNUZWMEGQNVLK-QFBILLFUSA-N 2 2 370.541 4.100 20 30 FIEDLP COc1ccc(C#N)cc1C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000438449829 1100661711 /nfs/dbraw/zinc/66/17/11/1100661711.db2.gz MXXWIFUASGQIDL-GCJKJVERSA-N 2 2 363.505 4.052 20 30 FIEDLP COc1ccc(C#N)cc1C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000438449829 1100661713 /nfs/dbraw/zinc/66/17/13/1100661713.db2.gz MXXWIFUASGQIDL-GCJKJVERSA-N 2 2 363.505 4.052 20 30 FIEDLP COc1ccc(C#N)cc1C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000438449829 1100661720 /nfs/dbraw/zinc/66/17/20/1100661720.db2.gz MXXWIFUASGQIDL-GCJKJVERSA-N 2 2 363.505 4.052 20 30 FIEDLP COc1ccc(C#N)cc1C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000438449829 1100661723 /nfs/dbraw/zinc/66/17/23/1100661723.db2.gz MXXWIFUASGQIDL-GCJKJVERSA-N 2 2 363.505 4.052 20 30 FIEDLP N#CC1(c2ccccc2)CCC([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000507654305 1103576829 /nfs/dbraw/zinc/57/68/29/1103576829.db2.gz SURPJNAMDUHUMU-UHFFFAOYSA-N 2 2 370.500 4.425 20 30 FIEDLP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(F)c(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000121372773 1107602572 /nfs/dbraw/zinc/60/25/72/1107602572.db2.gz CQPKPUAGSOBFAK-DYESRHJHSA-N 2 2 351.469 4.182 20 30 FIEDLP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(F)c(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000121372773 1107602581 /nfs/dbraw/zinc/60/25/81/1107602581.db2.gz CQPKPUAGSOBFAK-DYESRHJHSA-N 2 2 351.469 4.182 20 30 FIEDLP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(F)c(C#N)c2)CC[NH+]1Cc1ccccc1 ZINC000121372773 1107602592 /nfs/dbraw/zinc/60/25/92/1107602592.db2.gz CQPKPUAGSOBFAK-DYESRHJHSA-N 2 2 351.469 4.182 20 30 FIEDLP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(F)c(C#N)c2)CC[NH+]1Cc1ccccc1 ZINC000121372773 1107602595 /nfs/dbraw/zinc/60/25/95/1107602595.db2.gz CQPKPUAGSOBFAK-DYESRHJHSA-N 2 2 351.469 4.182 20 30 FIEDLP C=CC[NH+]1CCC([NH2+]Cc2cn(Cc3ccccc3)c3ccccc23)CC1 ZINC000592291213 1115217004 /nfs/dbraw/zinc/21/70/04/1115217004.db2.gz VCBMBUQSBYPXTC-UHFFFAOYSA-N 2 2 359.517 4.430 20 30 FIEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]Cc3ccc(Cl)c(F)c3)CC2)c1 ZINC000593693080 1115796348 /nfs/dbraw/zinc/79/63/48/1115796348.db2.gz OCQRZXJZVBKHFP-UHFFFAOYSA-N 2 2 357.860 4.105 20 30 FIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCCc4ccc(F)cc43)CC2)cc1 ZINC000463239888 1118047904 /nfs/dbraw/zinc/04/79/04/1118047904.db2.gz DBRBJJNELNRNQF-HSZRJFAPSA-N 2 2 363.480 4.329 20 30 FIEDLP C[C@H](CCCC(F)(F)F)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000463252671 1118062526 /nfs/dbraw/zinc/06/25/26/1118062526.db2.gz RYWVNGAHBYAFTL-OAHLLOKOSA-N 2 2 353.432 4.233 20 30 FIEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2cc(Br)ccc2F)CC1 ZINC000177915991 1119360669 /nfs/dbraw/zinc/36/06/69/1119360669.db2.gz CTHGVDJLMKJECQ-ZDUSSCGKSA-N 2 2 355.295 4.279 20 30 FIEDLP C=CC[NH+]1CCC([NH2+][C@H](Cc2cccc(OC)c2)c2ccccc2)CC1 ZINC000177906333 1119360716 /nfs/dbraw/zinc/36/07/16/1119360716.db2.gz ODUJERGRPCTXQG-HSZRJFAPSA-N 2 2 350.506 4.219 20 30 FIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCSc4ccccc43)CC2)cc1 ZINC000181498599 1124976674 /nfs/dbraw/zinc/97/66/74/1124976674.db2.gz RBKFQQMNJPPOKU-OAQYLSRUSA-N 2 2 363.530 4.349 20 30 FIEDLP N#CCC[C@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccccc1 ZINC000090664574 1125012150 /nfs/dbraw/zinc/01/21/50/1125012150.db2.gz NASILRZBDWVAJC-QHCPKHFHSA-N 2 2 365.496 4.467 20 30 FIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCc4c3cccc4Cl)CC2)cc1 ZINC000181621268 1125070550 /nfs/dbraw/zinc/07/05/50/1125070550.db2.gz HRGIUSKTDBSIBE-JOCHJYFZSA-N 2 2 365.908 4.453 20 30 FIEDLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(C)(C)c1ccccc1 ZINC000181677138 1125100264 /nfs/dbraw/zinc/10/02/64/1125100264.db2.gz CFKYHKZUFGHLDF-LJQANCHMSA-N 2 2 361.533 4.479 20 30 FIEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](COC)c2cccc(C(F)(F)F)c2)CC1 ZINC000153007790 1125715138 /nfs/dbraw/zinc/71/51/38/1125715138.db2.gz SWSKUQHSALWYSL-SFHVURJKSA-N 2 2 356.432 4.023 20 30 FIEDLP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000557584270 1079549050 /nfs/dbraw/zinc/54/90/50/1079549050.db2.gz FCFJGUTZWJCOAA-HSZRJFAPSA-N 2 2 356.473 4.360 20 30 FIEDLP N#Cc1ccccc1COc1cccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000092073615 1084159653 /nfs/dbraw/zinc/15/96/53/1084159653.db2.gz PYJCZISCMFOZTB-FQEVSTJZSA-N 2 2 372.472 4.240 20 30 FIEDLP N#Cc1ccccc1COc1cccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000092073615 1084159656 /nfs/dbraw/zinc/15/96/56/1084159656.db2.gz PYJCZISCMFOZTB-FQEVSTJZSA-N 2 2 372.472 4.240 20 30 FIEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccc3cc(OC)c(OC)cc3c2)CC1 ZINC000657875061 1087521233 /nfs/dbraw/zinc/52/12/33/1087521233.db2.gz FNDGNIPDMWNZFF-MRXNPFEDSA-N 2 2 354.494 4.158 20 30 FIEDLP C[C@@H]1C[C@H](NC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C[N@@H+]1C1CC1 ZINC000329446737 1094910128 /nfs/dbraw/zinc/91/01/28/1094910128.db2.gz LZVCWQWDFGYTSJ-NXHRZFHOSA-N 2 2 370.541 4.075 20 30 FIEDLP C[C@@H]1C[C@H](NC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C[N@H+]1C1CC1 ZINC000329446737 1094910129 /nfs/dbraw/zinc/91/01/29/1094910129.db2.gz LZVCWQWDFGYTSJ-NXHRZFHOSA-N 2 2 370.541 4.075 20 30 FIEDLP C[C@H](NC(=O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)c1ccc2c(c1)CCCC2 ZINC000329750001 1095249097 /nfs/dbraw/zinc/24/90/97/1095249097.db2.gz HVQZWZDTOYDVQZ-INIZCTEOSA-N 2 2 366.509 4.186 20 30 FIEDLP CC[N@H+](CC#Cc1cccc(Cl)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000437582037 1100008544 /nfs/dbraw/zinc/00/85/44/1100008544.db2.gz TYNZZCFEAHRVSW-UHFFFAOYSA-N 2 2 367.924 4.325 20 30 FIEDLP CC[N@@H+](CC#Cc1cccc(Cl)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000437582037 1100008554 /nfs/dbraw/zinc/00/85/54/1100008554.db2.gz TYNZZCFEAHRVSW-UHFFFAOYSA-N 2 2 367.924 4.325 20 30 FIEDLP C=CC[NH+]1CCC([NH2+][C@H](c2ccc(Br)s2)C2CC2)CC1 ZINC000190602496 1104948092 /nfs/dbraw/zinc/94/80/92/1104948092.db2.gz VVFMQCPPTCVVIX-INIZCTEOSA-N 2 2 355.345 4.202 20 30 FIEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cc(Br)ccc2Cl)CC1 ZINC000532266094 1108737941 /nfs/dbraw/zinc/73/79/41/1108737941.db2.gz TYEWTFKJWUEZPH-UHFFFAOYSA-N 2 2 357.723 4.233 20 30 FIEDLP CSc1ccc(C[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)cc1 ZINC000593688492 1115793163 /nfs/dbraw/zinc/79/31/63/1115793163.db2.gz UJZNVVXKUXXUIB-UHFFFAOYSA-N 2 2 351.519 4.034 20 30 FIEDLP COc1cc(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)ccc1C#N ZINC000442885733 1116325649 /nfs/dbraw/zinc/32/56/49/1116325649.db2.gz OCUQFOUBZVUDKZ-PGRDOPGGSA-N 2 2 363.505 4.052 20 30 FIEDLP COc1cc(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)ccc1C#N ZINC000442885733 1116325652 /nfs/dbraw/zinc/32/56/52/1116325652.db2.gz OCUQFOUBZVUDKZ-PGRDOPGGSA-N 2 2 363.505 4.052 20 30 FIEDLP COc1cc(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)ccc1C#N ZINC000442885733 1116325655 /nfs/dbraw/zinc/32/56/55/1116325655.db2.gz OCUQFOUBZVUDKZ-PGRDOPGGSA-N 2 2 363.505 4.052 20 30 FIEDLP COc1cc(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)ccc1C#N ZINC000442885733 1116325658 /nfs/dbraw/zinc/32/56/58/1116325658.db2.gz OCUQFOUBZVUDKZ-PGRDOPGGSA-N 2 2 363.505 4.052 20 30 FIEDLP CCSc1cccc(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000492402783 1119082905 /nfs/dbraw/zinc/08/29/05/1119082905.db2.gz YPMJTBSRACILFR-UHFFFAOYSA-N 2 2 365.546 4.424 20 30 FIEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2sc(-c3ccc(OC)cc3)nc2C)CC1 ZINC000177911188 1119360653 /nfs/dbraw/zinc/36/06/53/1119360653.db2.gz UXZVQJPPXCCGNZ-HNNXBMFYSA-N 2 2 371.550 4.428 20 30 FIEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc(OCc3ccc(C)cc3)cc2)CC1 ZINC000237816020 1120984598 /nfs/dbraw/zinc/98/45/98/1120984598.db2.gz JMQDKUXMLWUBFD-UHFFFAOYSA-N 2 2 350.506 4.314 20 30 FIEDLP FC(F)(F)c1ccc(C#CC[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134936958 1123696637 /nfs/dbraw/zinc/69/66/37/1123696637.db2.gz VNBLBNBXQCFRTQ-YLJYHZDGSA-N 2 2 362.439 4.006 20 30 FIEDLP FC(F)(F)c1ccc(C#CC[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134936958 1123696642 /nfs/dbraw/zinc/69/66/42/1123696642.db2.gz VNBLBNBXQCFRTQ-YLJYHZDGSA-N 2 2 362.439 4.006 20 30 FIEDLP FC(F)(F)c1ccc(C#CC[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000134936958 1123696645 /nfs/dbraw/zinc/69/66/45/1123696645.db2.gz VNBLBNBXQCFRTQ-YLJYHZDGSA-N 2 2 362.439 4.006 20 30 FIEDLP FC(F)(F)c1ccc(C#CC[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000134936958 1123696648 /nfs/dbraw/zinc/69/66/48/1123696648.db2.gz VNBLBNBXQCFRTQ-YLJYHZDGSA-N 2 2 362.439 4.006 20 30 FIEDLP CC[C@@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccc(OC)cc1 ZINC000181409715 1124905052 /nfs/dbraw/zinc/90/50/52/1124905052.db2.gz SXDVCAWFIYTYSL-HSZRJFAPSA-N 2 2 363.505 4.272 20 30 FIEDLP C[C@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(C)(C)c1ccccc1 ZINC000181677118 1125099797 /nfs/dbraw/zinc/09/97/97/1125099797.db2.gz CFKYHKZUFGHLDF-IBGZPJMESA-N 2 2 361.533 4.479 20 30 FIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CCCC[C@H]3C(F)(F)F)CC2)cc1 ZINC000579473426 1081726704 /nfs/dbraw/zinc/72/67/04/1081726704.db2.gz UWLJMIGHNKYJEG-MOPGFXCFSA-N 2 2 365.443 4.233 20 30 FIEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2sc(-c3cccnc3)nc2C)CC1 ZINC000153005538 1085362350 /nfs/dbraw/zinc/36/23/50/1085362350.db2.gz XKOOLDJAFFUDGM-OAHLLOKOSA-N 2 2 356.539 4.205 20 30 FIEDLP C[N@@H+]1CCC[C@H]1CC[NH+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC001167705294 1088126556 /nfs/dbraw/zinc/12/65/56/1088126556.db2.gz IQZZCXJJOGWPFH-QFIPXVFZSA-N 2 2 351.469 4.184 20 30 FIEDLP C[N@H+]1CCC[C@H]1CC[NH+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC001167705294 1088126563 /nfs/dbraw/zinc/12/65/63/1088126563.db2.gz IQZZCXJJOGWPFH-QFIPXVFZSA-N 2 2 351.469 4.184 20 30 FIEDLP C[NH+]1CCC[C@H]1CC[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC001167705294 1088126571 /nfs/dbraw/zinc/12/65/71/1088126571.db2.gz IQZZCXJJOGWPFH-QFIPXVFZSA-N 2 2 351.469 4.184 20 30 FIEDLP C[NH+]1CCC[C@H]1CC[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC001167705294 1088126583 /nfs/dbraw/zinc/12/65/83/1088126583.db2.gz IQZZCXJJOGWPFH-QFIPXVFZSA-N 2 2 351.469 4.184 20 30 FIEDLP CCC(CC)[C@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000181277617 1088294979 /nfs/dbraw/zinc/29/49/79/1088294979.db2.gz HQGCSLVFRQIXNY-DHIUTWEWSA-N 2 2 369.553 4.096 20 30 FIEDLP COc1cc(C#N)ccc1C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000501207779 1094559707 /nfs/dbraw/zinc/55/97/07/1094559707.db2.gz IRCWIOCKPVGHFU-XMSQKQJNSA-N 2 2 363.505 4.052 20 30 FIEDLP COc1cc(C#N)ccc1C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000501207779 1094559714 /nfs/dbraw/zinc/55/97/14/1094559714.db2.gz IRCWIOCKPVGHFU-XMSQKQJNSA-N 2 2 363.505 4.052 20 30 FIEDLP COc1cc(C#N)ccc1C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000501207779 1094559723 /nfs/dbraw/zinc/55/97/23/1094559723.db2.gz IRCWIOCKPVGHFU-XMSQKQJNSA-N 2 2 363.505 4.052 20 30 FIEDLP COc1cc(C#N)ccc1C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000501207779 1094559729 /nfs/dbraw/zinc/55/97/29/1094559729.db2.gz IRCWIOCKPVGHFU-XMSQKQJNSA-N 2 2 363.505 4.052 20 30 FIEDLP C=CCOc1ccccc1C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000502308596 1095357509 /nfs/dbraw/zinc/35/75/09/1095357509.db2.gz HRXGLMHQYFFMPO-IBGZPJMESA-N 2 2 351.494 4.164 20 30 FIEDLP C=CCOc1ccccc1C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000502308596 1095357528 /nfs/dbraw/zinc/35/75/28/1095357528.db2.gz HRXGLMHQYFFMPO-IBGZPJMESA-N 2 2 351.494 4.164 20 30 FIEDLP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+](CC(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)C1)CCCC2 ZINC000330260643 1095439386 /nfs/dbraw/zinc/43/93/86/1095439386.db2.gz SUYCXLOJQINQNR-QFHJOOASSA-N 2 2 372.557 4.098 20 30 FIEDLP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+](CC(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)C1)CCCC2 ZINC000330260643 1095439410 /nfs/dbraw/zinc/43/94/10/1095439410.db2.gz SUYCXLOJQINQNR-QFHJOOASSA-N 2 2 372.557 4.098 20 30 FIEDLP C[N@H+](CC#Cc1ccccc1Cl)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000441165880 1104178538 /nfs/dbraw/zinc/17/85/38/1104178538.db2.gz JHDNUSPBBLGWHP-FQEVSTJZSA-N 2 2 352.909 4.145 20 30 FIEDLP C[N@@H+](CC#Cc1ccccc1Cl)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000441165880 1104178540 /nfs/dbraw/zinc/17/85/40/1104178540.db2.gz JHDNUSPBBLGWHP-FQEVSTJZSA-N 2 2 352.909 4.145 20 30 FIEDLP C[NH+](CC#Cc1ccccc1Cl)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000441165880 1104178542 /nfs/dbraw/zinc/17/85/42/1104178542.db2.gz JHDNUSPBBLGWHP-FQEVSTJZSA-N 2 2 352.909 4.145 20 30 FIEDLP C[NH+](CC#Cc1ccccc1Cl)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000441165880 1104178543 /nfs/dbraw/zinc/17/85/43/1104178543.db2.gz JHDNUSPBBLGWHP-FQEVSTJZSA-N 2 2 352.909 4.145 20 30 FIEDLP C=CCOc1ccc(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)cc1OC ZINC000447077725 1109437351 /nfs/dbraw/zinc/43/73/51/1109437351.db2.gz ORFAYFOYHSXDOX-UHFFFAOYSA-N 2 2 368.477 4.007 20 30 FIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCCc4c(F)cccc43)CC2)cc1 ZINC000449347098 1110036943 /nfs/dbraw/zinc/03/69/43/1110036943.db2.gz BJDBAROMCJAZIF-HSZRJFAPSA-N 2 2 363.480 4.329 20 30 FIEDLP Cc1ccccc1[C@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000463239678 1118046975 /nfs/dbraw/zinc/04/69/75/1118046975.db2.gz ZLHBAJPKEDEJQB-AFARHQOCSA-N 2 2 359.517 4.367 20 30 FIEDLP N#Cc1cccc(CC[NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)c1 ZINC000463251037 568124617 /nfs/dbraw/zinc/12/46/17/568124617.db2.gz BOXFGVBXSICRFV-UHFFFAOYSA-N 2 2 353.897 4.008 20 30 FIEDLP