smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc[nH]1 ZINC000024081610 202112444 /nfs/dbraw/zinc/11/24/44/202112444.db2.gz WAJSCGAPKUICON-INIZCTEOSA-N 1 0 339.395 2.155 40 30 EEEBRO COc1cc(Br)c(CNC(=[NH2+])N(C)C2CC2)cc1OC ZINC000195559341 241010675 /nfs/dbraw/zinc/01/06/75/241010675.db2.gz NZXSUXKXFFTZHH-UHFFFAOYSA-N 1 0 342.237 2.375 40 30 EEEBRO N#Cc1ccc(C[NH2+]C[C@@H](C(=O)N2CCOCC2)c2ccccc2)cc1 ZINC000078553709 303191152 /nfs/dbraw/zinc/19/11/52/303191152.db2.gz OPHLZNFFCOSBTP-HXUWFJFHSA-N 1 0 349.434 2.290 40 30 EEEBRO N#Cc1ccccc1CSCCNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171898821 463944918 /nfs/dbraw/zinc/94/49/18/463944918.db2.gz VXOHDAKTTHKNGV-QGZVFWFLSA-N 1 0 344.484 2.281 40 30 EEEBRO C[C@H]1CCCN(C(=[NH2+])NCCCS(=O)(=O)Cc2ccccc2)C1 ZINC000195529970 464071872 /nfs/dbraw/zinc/07/18/72/464071872.db2.gz XDKQQLYHWYEDSP-HNNXBMFYSA-N 1 0 337.489 2.038 40 30 EEEBRO C#CC[N@@+]1(C)[C@@H]2CC[C@H]1C[C@@H](OC(=O)[C@@H](CO)c1ccccc1)C2 ZINC000252462059 464956295 /nfs/dbraw/zinc/95/62/95/464956295.db2.gz PLKWEVUMSNPOQP-KWLWEVDOSA-N 1 0 328.432 2.079 40 30 biogenic EEEBRO N#Cc1cccc(C[NH2+]C[C@H](C(=O)N2CCOCC2)c2ccccc2)c1 ZINC000078553728 202395636 /nfs/dbraw/zinc/39/56/36/202395636.db2.gz SBNIANUUZYXZTB-FQEVSTJZSA-N 1 0 349.434 2.290 40 30 EEEBRO Cc1cc(C)c2ncc(C#N)c(N3CCN([C@H]4CC[NH2+]C4)CC3)c2c1 ZINC000333568903 269911725 /nfs/dbraw/zinc/91/17/25/269911725.db2.gz RRXAHPGKBKMOCR-KRWDZBQOSA-N 1 0 335.455 2.207 40 30 EEEBRO N#Cc1ccccc1CSCCNC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171898822 463944731 /nfs/dbraw/zinc/94/47/31/463944731.db2.gz VXOHDAKTTHKNGV-KRWDZBQOSA-N 1 0 344.484 2.281 40 30 EEEBRO C[NH+]=C(NCC1(C(=O)N(C)C)CCCC1)N[C@H](C)c1ccc(C)o1 ZINC000088880397 202794756 /nfs/dbraw/zinc/79/47/56/202794756.db2.gz PBOCOPCAELXREP-CQSZACIVSA-N 1 0 334.464 2.463 40 30 EEEBRO C[C@@H](C1CC1)[N@H+](C)CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 ZINC000096492668 463288142 /nfs/dbraw/zinc/28/81/42/463288142.db2.gz BPPUYJRWLAJTKN-HOCLYGCPSA-N 1 0 346.500 2.187 40 30 EEEBRO CC(C)[C@@H](C#N)N1CCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC000073232200 202368721 /nfs/dbraw/zinc/36/87/21/202368721.db2.gz LOFLBDWBXSHFBA-GOSISDBHSA-N 1 0 328.460 2.054 40 30 EEEBRO COc1ccccc1C(=O)ONC(=[NH2+])Cc1ccc(NC(C)=O)cc1 ZINC000226102700 464183794 /nfs/dbraw/zinc/18/37/94/464183794.db2.gz OKGYROMOAPZQLU-UHFFFAOYSA-N 1 0 341.367 2.325 40 30 EEEBRO COc1cc(OC)cc(C(=O)NCC#CC[NH+]2CCCCCC2)c1 ZINC000075164808 202377500 /nfs/dbraw/zinc/37/75/00/202377500.db2.gz DTSQOHLYNAIQFY-UHFFFAOYSA-N 1 0 330.428 2.313 40 30 EEEBRO C=CC[N@@H+]1C[C@@H]2CN(C(=O)c3ccoc3)CCC[C@]2(C(=O)OCC)C1 ZINC000096055980 463157897 /nfs/dbraw/zinc/15/78/97/463157897.db2.gz QWALPROXYLQEGP-APWZRJJASA-N 1 0 346.427 2.183 40 30 EEEBRO Cc1cc(F)cc2c1ncc(C#N)c2NC[C@H]1C[N@@H+](C)CCN1C ZINC000096429467 463258875 /nfs/dbraw/zinc/25/88/75/463258875.db2.gz USPIFRNDQDKLHQ-HNNXBMFYSA-N 1 0 327.407 2.212 40 30 EEEBRO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c(F)c1 ZINC000195545862 464074924 /nfs/dbraw/zinc/07/49/24/464074924.db2.gz JDASMNASNYZSKT-KRWDZBQOSA-N 1 0 326.371 2.495 40 30 EEEBRO CC(C)(C#N)C(=O)NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000174854691 518505947 /nfs/dbraw/zinc/50/59/47/518505947.db2.gz RPEORQJETAWNLT-QGZVFWFLSA-N 1 0 329.444 2.098 40 30 EEEBRO N#Cc1cccc(C[NH2+]C[C@H]2COCc3c(-c4ccoc4)nnn3C2)c1 ZINC000096069464 203821679 /nfs/dbraw/zinc/82/16/79/203821679.db2.gz HZWNZGUNYSLSNJ-MRXNPFEDSA-N 1 0 349.394 2.346 40 30 EEEBRO C=CC[C@@H](C)[C@@H](C)[NH2+]C1CCN(S(=O)(=O)C2CCOCC2)CC1 ZINC000090035651 519095512 /nfs/dbraw/zinc/09/55/12/519095512.db2.gz BHNWZEXUGSDARL-HUUCEWRRSA-N 1 0 344.521 2.150 40 30 EEEBRO N#Cc1ccc(S(=O)(=O)NC[C@@H]([NH3+])c2ccccc2)cc1Cl ZINC000095432056 218374580 /nfs/dbraw/zinc/37/45/80/218374580.db2.gz DJXZBUNQDIMKBP-OAHLLOKOSA-N 1 0 335.816 2.190 40 30 EEEBRO CC(C)(C#N)C(=O)NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000174854680 464457915 /nfs/dbraw/zinc/45/79/15/464457915.db2.gz RPEORQJETAWNLT-KRWDZBQOSA-N 1 0 329.444 2.098 40 30 EEEBRO CC[C@@H](O)C[NH+]1CCN(c2ccc(Br)cc2C#N)CC1 ZINC000302205046 466119346 /nfs/dbraw/zinc/11/93/46/466119346.db2.gz WRAONVZALCZBEN-CQSZACIVSA-N 1 0 338.249 2.214 40 30 EEEBRO CNC(=O)C[NH+]1CCC(CN(C)c2c(Cl)cccc2C#N)CC1 ZINC000078296172 217038479 /nfs/dbraw/zinc/03/84/79/217038479.db2.gz WMJGUPXNKJGYCI-UHFFFAOYSA-N 1 0 334.851 2.106 40 30 EEEBRO C=CC[N@H+]1CCC[C@]2(CC1)CN(C(=O)COC)Cc1ccccc1O2 ZINC000012365582 462851265 /nfs/dbraw/zinc/85/12/65/462851265.db2.gz OAJDJGOHFPOEMT-FQEVSTJZSA-N 1 0 344.455 2.465 40 30 EEEBRO C#CC1(OC[C@H](O)C[N@@H+](CCO)Cc2ccccc2)CCCCC1 ZINC000096305974 463234078 /nfs/dbraw/zinc/23/40/78/463234078.db2.gz VCYFDUOGLKXOSA-LJQANCHMSA-N 1 0 331.456 2.195 40 30 EEEBRO C[C@H]1CN([C@@H](CNC(=[NH2+])N(C)C)c2c(F)cccc2Cl)CCO1 ZINC000170912655 463740768 /nfs/dbraw/zinc/74/07/68/463740768.db2.gz WWVIKNYFFNTSTI-FZMZJTMJSA-N 1 0 342.846 2.117 40 30 EEEBRO CC[NH+]=C(NCc1ncnn1C)N1CC[C@@H](c2ccccc2)[C@H](C)C1 ZINC000225511516 464168189 /nfs/dbraw/zinc/16/81/89/464168189.db2.gz NASMNKYFWGLAII-NVXWUHKLSA-N 1 0 340.475 2.406 40 30 EEEBRO CC[NH+]=C(NCc1ccon1)N[C@@H](C)c1cccc(-n2cncn2)c1 ZINC000096462454 463278019 /nfs/dbraw/zinc/27/80/19/463278019.db2.gz AWZQBUVDIPSTSB-ZDUSSCGKSA-N 1 0 339.403 2.072 40 30 EEEBRO [NH2+]=C(NCc1ccnc(N2CCCCCC2)c1)N1CCSCC1 ZINC000097227325 463349738 /nfs/dbraw/zinc/34/97/38/463349738.db2.gz VPEMBKMHYKQCBT-UHFFFAOYSA-N 1 0 333.505 2.326 40 30 EEEBRO N#Cc1cccc(CN2C(=O)[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2=O)c1 ZINC000097236031 463352084 /nfs/dbraw/zinc/35/20/84/463352084.db2.gz BVCRNYVOOFZERN-KDURUIRLSA-N 1 0 345.402 2.175 40 30 EEEBRO Cn1cc(C[N@@H+]2CC[C@]3(C[C@@H](Nc4cccc(C#N)c4)CO3)C2)cn1 ZINC000107225968 463562124 /nfs/dbraw/zinc/56/21/24/463562124.db2.gz DYIABHPWKCEFNE-MOPGFXCFSA-N 1 0 337.427 2.137 40 30 EEEBRO CN(CCS(=O)(=O)c1ccc(C#N)cc1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000247986926 464721783 /nfs/dbraw/zinc/72/17/83/464721783.db2.gz ZJGHUXRTLFXBMS-GVDBMIGSSA-N 1 0 348.468 2.077 40 30 EEEBRO N#Cc1ccc(OCC[C@H]2CO[C@H]3C[N@H+](CC4CCC4)C[C@@H]23)nc1 ZINC000306131716 466490905 /nfs/dbraw/zinc/49/09/05/466490905.db2.gz KNQGWWULNOGKJS-BZSNNMDCSA-N 1 0 327.428 2.469 40 30 EEEBRO C=CCn1c(=O)ccc2c1CC[C@@H]([NH2+]Cc1ccc3c(c1)OCO3)C2 ZINC000096189699 519163717 /nfs/dbraw/zinc/16/37/17/519163717.db2.gz NHLHGZDBRCHXAU-MRXNPFEDSA-N 1 0 338.407 2.410 40 30 EEEBRO N#Cc1ccc(C(=O)N2CC[C@H]3[C@H]2CC[N@@H+]3CC2CCOCC2)cc1 ZINC000096184476 463195935 /nfs/dbraw/zinc/19/59/35/463195935.db2.gz XKXDFPPDFLJARQ-RBUKOAKNSA-N 1 0 339.439 2.274 40 30 EEEBRO N#Cc1cccc(CN2Cc3nccn3C[C@H](C[NH+]3CCCC3)C2)c1 ZINC000096188352 463200644 /nfs/dbraw/zinc/20/06/44/463200644.db2.gz GVYRUYGJCICUNG-LJQANCHMSA-N 1 0 335.455 2.483 40 30 EEEBRO CC(C)CN1C[C@]2(CC1=O)COCC[N@H+](Cc1ccc(C#N)cc1)C2 ZINC000585104687 468972369 /nfs/dbraw/zinc/97/23/69/468972369.db2.gz QXSKYDGKHVZLPF-HXUWFJFHSA-N 1 0 341.455 2.265 40 30 EEEBRO C[NH+]=C(NCc1noc(C)n1)N(C)CCOc1cc(C)cc(C)c1 ZINC000096461896 526393745 /nfs/dbraw/zinc/39/37/45/526393745.db2.gz SLIPGDOHYMBFQK-UHFFFAOYSA-N 1 0 331.420 2.081 40 30 EEEBRO C#CC[NH+]1CCC(C(=O)NCCc2c[nH]c3ccc(OC)cc23)CC1 ZINC000079050938 217183321 /nfs/dbraw/zinc/18/33/21/217183321.db2.gz JQHQNVMNESKVBL-UHFFFAOYSA-N 1 0 339.439 2.180 40 30 EEEBRO C=C1CC[NH+]([C@@H](C)[C@@](O)(Cn2cncn2)c2ccc(F)cc2F)CC1 ZINC000006487447 462686904 /nfs/dbraw/zinc/68/69/04/462686904.db2.gz NFEZZTICAUWDHU-KSSFIOAISA-N 1 0 348.397 2.485 40 30 EEEBRO C[N@H+](CC(=O)NCC#N)CC1(c2ccc(Br)cc2)CC1 ZINC000096421180 463253229 /nfs/dbraw/zinc/25/32/29/463253229.db2.gz CRPCQCOTWFOPJL-UHFFFAOYSA-N 1 0 336.233 2.052 40 30 EEEBRO C=CCN1CC[C@@H](Nc2ccccc2C[NH+]2CCC(CO)CC2)C1=O ZINC000241862506 464454519 /nfs/dbraw/zinc/45/45/19/464454519.db2.gz SQQRYGWXSNRGHW-LJQANCHMSA-N 1 0 343.471 2.090 40 30 EEEBRO C=CC[NH+]1CCC(NC(=O)[C@@]2(C)CC(c3cccs3)=NO2)CC1 ZINC000226747706 242110978 /nfs/dbraw/zinc/11/09/78/242110978.db2.gz BOQUIDIJBHDHON-QGZVFWFLSA-N 1 0 333.457 2.398 40 30 EEEBRO C(NC(NC[C@H]1CCCO1)=[NH+]C1CCCC1)c1nc(C2CC2)no1 ZINC000073468179 463615679 /nfs/dbraw/zinc/61/56/79/463615679.db2.gz SNSKCVHYKFWWTG-CQSZACIVSA-N 1 0 333.436 2.104 40 30 EEEBRO C#CC[N+]1(C)[C@@H]2CC[C@H]1CC(OC(=O)[C@H](CO)c1ccccc1)C2 ZINC000000519234 209643081 /nfs/dbraw/zinc/64/30/81/209643081.db2.gz PLKWEVUMSNPOQP-PPAWOBCPSA-N 1 0 328.432 2.079 40 30 EEEBRO CC[NH+]=C(NCc1noc(C)n1)N1CC[C@@H](c2ccc(OC)cc2)C1 ZINC000097227579 218999282 /nfs/dbraw/zinc/99/92/82/218999282.db2.gz ZDGWKDCYHUZNQQ-OAHLLOKOSA-N 1 0 343.431 2.342 40 30 EEEBRO N#Cc1cccc(N[C@@H]2CO[C@@]3(CC[N@H+](Cc4cccnc4)C3)C2)n1 ZINC000096047683 463152330 /nfs/dbraw/zinc/15/23/30/463152330.db2.gz HCNZCQCOJCSWJV-HKUYNNGSSA-N 1 0 335.411 2.194 40 30 EEEBRO CC1CCN(C(=[NH2+])NC[C@H]2CC(=O)N(CCc3ccccc3)C2)CC1 ZINC000097227741 463350168 /nfs/dbraw/zinc/35/01/68/463350168.db2.gz KBJSLWWODZRZMR-GOSISDBHSA-N 1 0 342.487 2.124 40 30 EEEBRO CC[NH+]=C(NCc1cc(C)on1)N(C)Cc1cn(C)nc1C(C)C ZINC000097229965 463350779 /nfs/dbraw/zinc/35/07/79/463350779.db2.gz OMKXTDQJNDGXFU-UHFFFAOYSA-N 1 0 332.452 2.437 40 30 EEEBRO Cc1c(C#N)cccc1NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000186718509 464057928 /nfs/dbraw/zinc/05/79/28/464057928.db2.gz JMMIUKUHZUVNET-ZDUSSCGKSA-N 1 0 330.432 2.176 40 30 EEEBRO CCOC[C@H]1CC[N@H+](C)C2(CN(C(=O)c3cccc(C#N)c3)C2)C1 ZINC000306127294 466488805 /nfs/dbraw/zinc/48/88/05/466488805.db2.gz FUOFAGWYWJSUCP-INIZCTEOSA-N 1 0 327.428 2.131 40 30 EEEBRO C=CC[NH+]1CCC(NC(=O)c2cn(-c3ccc(F)cc3)cn2)CC1 ZINC000227115239 242121159 /nfs/dbraw/zinc/12/11/59/242121159.db2.gz HKVFOIPINDUEOB-UHFFFAOYSA-N 1 0 328.391 2.392 40 30 EEEBRO C[C@H]([NH2+]CCc1ccc(S(N)(=O)=O)cc1)c1ccc(C#N)cc1F ZINC000195557218 323513923 /nfs/dbraw/zinc/51/39/23/323513923.db2.gz RWWXNCDYLWRORM-LBPRGKRZSA-N 1 0 347.415 2.238 40 30 EEEBRO Cc1ccc(-c2nc(CCNC(=[NH2+])N3CCOCC3)cs2)cc1 ZINC000097212332 463348678 /nfs/dbraw/zinc/34/86/78/463348678.db2.gz JZAONKHPRNGRRL-UHFFFAOYSA-N 1 0 330.457 2.308 40 30 EEEBRO Cn1cncc1C[N@@H+]1CC[C@]2(C[C@@H](Nc3cccc(C#N)c3)CO2)C1 ZINC000107225983 463562845 /nfs/dbraw/zinc/56/28/45/463562845.db2.gz QMEPEBBTVBUHJS-MJGOQNOKSA-N 1 0 337.427 2.137 40 30 EEEBRO C[C@H](NC(NCC(=O)N(C)C)=[NH+][C@H]1CCCSC1)c1ccccc1 ZINC000195563360 464076926 /nfs/dbraw/zinc/07/69/26/464076926.db2.gz FKLSHVQEMRQCCM-HOCLYGCPSA-N 1 0 348.516 2.267 40 30 EEEBRO Cc1cc(=O)[nH]c(NC(=[NH2+])Nc2ccc(SC(F)F)cc2)n1 ZINC000012512242 211395517 /nfs/dbraw/zinc/39/55/17/211395517.db2.gz GMTXCKYCXRQXHB-UHFFFAOYSA-N 1 0 325.344 2.451 40 30 EEEBRO N#Cc1cccc(C[N@H+]2CC[C@@H]3[C@@H]2CC(=O)N3Cc2ccncc2)c1 ZINC000096184069 463195886 /nfs/dbraw/zinc/19/58/86/463195886.db2.gz LZXCPIVRNREPGK-MOPGFXCFSA-N 1 0 332.407 2.329 40 30 EEEBRO C[NH+]=C(NCc1nc(C2CC2)no1)N(C)C[C@@H](C)c1nccs1 ZINC000195564470 464077125 /nfs/dbraw/zinc/07/71/25/464077125.db2.gz LJTXHRFETABORP-SNVBAGLBSA-N 1 0 334.449 2.214 40 30 EEEBRO N#Cc1ccc(NC(=O)[C@H]2CN(Cc3ccccc3)CCO2)cc1C#N ZINC000253419966 465007700 /nfs/dbraw/zinc/00/77/00/465007700.db2.gz PJZLYVYQZCUTDN-LJQANCHMSA-N 1 0 346.390 2.269 40 30 EEEBRO N#CC1(C(=O)NCc2ccccc2C[N@H+]2CCC[C@H]2CO)CCCC1 ZINC000097373197 534544099 /nfs/dbraw/zinc/54/40/99/534544099.db2.gz WIUVCUCBKQSREO-SFHVURJKSA-N 1 0 341.455 2.343 40 30 EEEBRO C=CCn1ncc(C[N@H+]2[C@@H]3CC[C@H]2CC(O)(c2nccn2C)C3)c1C ZINC000012116992 211295265 /nfs/dbraw/zinc/29/52/65/211295265.db2.gz RTQCYFGSAGERHM-JJTKIYQPSA-N 1 0 341.459 2.126 40 30 EEEBRO C=CCN1CCN(C)C2(CC[NH+](Cc3ccc(F)cc3)CC2)C1=O ZINC000096050060 463153466 /nfs/dbraw/zinc/15/34/66/463153466.db2.gz BBAREVFFWWQWBK-UHFFFAOYSA-N 1 0 331.435 2.120 40 30 EEEBRO N#Cc1cccc(/C=C/C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000096412697 463244587 /nfs/dbraw/zinc/24/45/87/463244587.db2.gz HMJUBTDLIOVOEW-WRFKIARRSA-N 1 0 339.439 2.189 40 30 EEEBRO N#Cc1cc(NC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)ccc1F ZINC000096411844 463244695 /nfs/dbraw/zinc/24/46/95/463244695.db2.gz JSQRRLKHVAURRX-AWEZNQCLSA-N 1 0 346.406 2.273 40 30 EEEBRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000096428224 463257750 /nfs/dbraw/zinc/25/77/50/463257750.db2.gz OOVKCGHONIAULK-FZMZJTMJSA-N 1 0 341.864 2.172 40 30 EEEBRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000096428223 463258295 /nfs/dbraw/zinc/25/82/95/463258295.db2.gz OOVKCGHONIAULK-RISCZKNCSA-N 1 0 341.864 2.172 40 30 EEEBRO CC[NH+]=C(NCc1sc(C)nc1C)NCc1cccnc1OC ZINC000097227632 463350227 /nfs/dbraw/zinc/35/02/27/463350227.db2.gz JNCJZXHDWJMRNR-UHFFFAOYSA-N 1 0 333.461 2.419 40 30 EEEBRO N#CC1(C(=O)NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)CCCC1 ZINC000097373195 463355722 /nfs/dbraw/zinc/35/57/22/463355722.db2.gz WIUVCUCBKQSREO-GOSISDBHSA-N 1 0 341.455 2.343 40 30 EEEBRO CC[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)NCC1(CC(C)C)CCC1 ZINC000195546212 520205316 /nfs/dbraw/zinc/20/53/16/520205316.db2.gz PBURCEKVCOPCDC-HNNXBMFYSA-N 1 0 343.537 2.193 40 30 EEEBRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000245338794 243104231 /nfs/dbraw/zinc/10/42/31/243104231.db2.gz OOVKCGHONIAULK-BXUZGUMPSA-N 1 0 341.864 2.172 40 30 EEEBRO C#CC[N+]1(C)[C@@H]2CC[C@H]1CC(OC(=O)[C@@H](CO)c1ccccc1)C2 ZINC000016030444 211877959 /nfs/dbraw/zinc/87/79/59/211877959.db2.gz PLKWEVUMSNPOQP-SSZRJXQFSA-N 1 0 328.432 2.079 40 30 EEEBRO C=CC[N@@H+]1CCO[C@@H]2CN(C(=O)NCc3cccc(F)c3)CC[C@@H]2C1 ZINC000096249636 463226443 /nfs/dbraw/zinc/22/64/43/463226443.db2.gz AMNABKLFVOVKAI-SJLPKXTDSA-N 1 0 347.434 2.244 40 30 EEEBRO [NH2+]=C(NCCCC(=O)N1CCc2ccccc2C1)N1CCCCC1 ZINC000097227330 463350284 /nfs/dbraw/zinc/35/02/84/463350284.db2.gz JXDITUWKUKWFAQ-UHFFFAOYSA-N 1 0 328.460 2.152 40 30 EEEBRO CC[NH+]1CCN([C@H]2CCN(Cc3ccc(Cl)cc3C#N)C2)CC1 ZINC000187002134 529152783 /nfs/dbraw/zinc/15/27/83/529152783.db2.gz PLHPERYANFYORW-SFHVURJKSA-N 1 0 332.879 2.423 40 30 EEEBRO COc1ncccc1NC(=O)Nc1sc2c(c1C#N)CC[NH2+]C2 ZINC000050076294 214044436 /nfs/dbraw/zinc/04/44/36/214044436.db2.gz FZPPSTHMSNHMPS-UHFFFAOYSA-N 1 0 329.385 2.313 40 30 EEEBRO CN1C(=O)NC2(CC[NH+](Cc3ccccc3C(C)(C)C#N)CC2)C1=O ZINC000090005604 277016588 /nfs/dbraw/zinc/01/65/88/277016588.db2.gz XDOZTVMTXAMDGQ-UHFFFAOYSA-N 1 0 340.427 2.004 40 30 EEEBRO C[C@H]1CCN(S(=O)(=O)CCCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000096433538 463262517 /nfs/dbraw/zinc/26/25/17/463262517.db2.gz JKLVHXHRKXQDHY-INIZCTEOSA-N 1 0 335.473 2.216 40 30 EEEBRO C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@H](C3CCOCC3)C2)CC1 ZINC000253400406 465002382 /nfs/dbraw/zinc/00/23/82/465002382.db2.gz DORBECDCDBCNAD-KRWDZBQOSA-N 1 0 335.492 2.485 40 30 EEEBRO CCOC[C@@H]1CC[N@H+](C)C2(CN(C(=O)c3cccc(C#N)c3)C2)C1 ZINC000306127295 466490039 /nfs/dbraw/zinc/49/00/39/466490039.db2.gz FUOFAGWYWJSUCP-MRXNPFEDSA-N 1 0 327.428 2.131 40 30 EEEBRO C=CC[N@H+]1CCCC[C@H]2CN(S(=O)(=O)c3cccc(F)c3)C[C@H]21 ZINC000072330679 216154973 /nfs/dbraw/zinc/15/49/73/216154973.db2.gz SUBLFQQMCMYCBY-WMLDXEAASA-N 1 0 338.448 2.487 40 30 EEEBRO C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[C@H]2Oc2ccccc2)CC1 ZINC000079033098 463181664 /nfs/dbraw/zinc/18/16/64/463181664.db2.gz YWSROZCESXQPFZ-RBUKOAKNSA-N 1 0 326.440 2.448 40 30 EEEBRO C[C@H]([NH2+]CC(=O)N[C@](C)(C#N)C1CC1)c1ccc2c(c1)CCC(=O)N2 ZINC000096491031 463287132 /nfs/dbraw/zinc/28/71/32/463287132.db2.gz HAHPHOOSGGJXDF-HXPMCKFVSA-N 1 0 340.427 2.030 40 30 EEEBRO C[NH+]=C(NCCc1ccco1)N[C@@H]1CCCN(c2ccccn2)C1 ZINC000195564082 464077692 /nfs/dbraw/zinc/07/76/92/464077692.db2.gz NNXVYCNQCZDNBE-OAHLLOKOSA-N 1 0 327.432 2.051 40 30 EEEBRO C[NH+]=C(NCc1nc(C)c(C)s1)NC[C@@H]1COc2ccccc2O1 ZINC000095407697 218343821 /nfs/dbraw/zinc/34/38/21/218343821.db2.gz GSLYMDFORWSORU-CYBMUJFWSA-N 1 0 346.456 2.265 40 30 EEEBRO Cc1n(CCO)c([N+](=O)[O-])c[n+]1[C@@H](C)C(=O)c1ccc(Cl)cc1 ZINC000011566402 281761981 /nfs/dbraw/zinc/76/19/81/281761981.db2.gz WPGNMTRQAXVQPE-JTQLQIEISA-N 1 0 338.771 2.082 40 30 EEEBRO C[C@@H]([NH2+]CCc1ccc(S(N)(=O)=O)cc1)c1ccc(C#N)cc1F ZINC000195557216 464075812 /nfs/dbraw/zinc/07/58/12/464075812.db2.gz RWWXNCDYLWRORM-GFCCVEGCSA-N 1 0 347.415 2.238 40 30 EEEBRO CN1CC[C@H]([NH+]2CCC(NC(=O)CCc3ccsc3)CC2)C1=O ZINC000329206499 465267170 /nfs/dbraw/zinc/26/71/70/465267170.db2.gz YFMGHBIRHGNFOE-HNNXBMFYSA-N 1 0 335.473 2.332 40 30 EEEBRO N#Cc1cccc(C[NH2+]C[C@@H]2COCc3c(-c4ccoc4)nnn3C2)c1 ZINC000096069465 463166064 /nfs/dbraw/zinc/16/60/64/463166064.db2.gz HZWNZGUNYSLSNJ-INIZCTEOSA-N 1 0 349.394 2.346 40 30 EEEBRO C[C@@H]([NH2+]CC(=O)N[C@@](C)(C#N)C1CC1)c1ccc2c(c1)CCC(=O)N2 ZINC000096491029 463286309 /nfs/dbraw/zinc/28/63/09/463286309.db2.gz HAHPHOOSGGJXDF-BLVKFPJESA-N 1 0 340.427 2.030 40 30 EEEBRO CC[NH+]1CCC(N(C)C(=O)CCC(=O)NC2(C#N)CCCCC2)CC1 ZINC000073225272 463595505 /nfs/dbraw/zinc/59/55/05/463595505.db2.gz ZJIPOTDALFMKJS-UHFFFAOYSA-N 1 0 348.491 2.052 40 30 EEEBRO C[NH+]=C(NCc1ccon1)N(C)Cc1cc(OC)c(OC)cc1C ZINC000195538082 464073556 /nfs/dbraw/zinc/07/35/56/464073556.db2.gz UMCKYRXXNUOJGK-UHFFFAOYSA-N 1 0 332.404 2.208 40 30 EEEBRO Cc1nc(C)c(C#N)c(SCCCN2CC[NH+](C(C)C)CC2)n1 ZINC000188290715 464245550 /nfs/dbraw/zinc/24/55/50/464245550.db2.gz SQVHZCVBQIKDDX-UHFFFAOYSA-N 1 0 333.505 2.473 40 30 EEEBRO C=CCOc1ccc(C[NH2+]CCSc2nnnn2C)cc1OCC ZINC000008254471 519034579 /nfs/dbraw/zinc/03/45/79/519034579.db2.gz QTFBYDFHXZEIMZ-UHFFFAOYSA-N 1 0 349.460 2.056 40 30 EEEBRO CCc1nc(CNC(NC[C@@H]2COc3ccccc3O2)=[NH+]C)cs1 ZINC000078254579 217034566 /nfs/dbraw/zinc/03/45/66/217034566.db2.gz SPNKTISBCMTPOL-CYBMUJFWSA-N 1 0 346.456 2.211 40 30 EEEBRO CC[C@@]1(C)C[C@@]2(CCC[N@H+](CC#CCN3CCOCC3)C2)CCO1 ZINC000004764459 210273539 /nfs/dbraw/zinc/27/35/39/210273539.db2.gz QCWLWXCLQMWJSW-VQTJNVASSA-N 1 0 334.504 2.383 40 30 EEEBRO CC[C@@]1(C)C[C@]2(CCC[N@H+](CC#CCN3CCOCC3)C2)CCO1 ZINC000002289116 462591845 /nfs/dbraw/zinc/59/18/45/462591845.db2.gz QCWLWXCLQMWJSW-PMACEKPBSA-N 1 0 334.504 2.383 40 30 EEEBRO C=CCOC[C@H]1CNC(=O)[C@@H]2CC[N@H+](Cc3c(C)noc3C)CC[C@H]12 ZINC000107714978 463579744 /nfs/dbraw/zinc/57/97/44/463579744.db2.gz RFLDISOPNYYISM-BRWVUGGUSA-N 1 0 347.459 2.068 40 30 EEEBRO N#CCCCC[NH+]1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000079035331 217178382 /nfs/dbraw/zinc/17/83/82/217178382.db2.gz YBVILTMUGBYOMH-SFHVURJKSA-N 1 0 326.444 2.103 40 30 EEEBRO C[NH+]=C(NCc1ccco1)NCC1CCN(CC(F)(F)F)CC1 ZINC000187118022 464099731 /nfs/dbraw/zinc/09/97/31/464099731.db2.gz JBAVBTHQNKXMOM-UHFFFAOYSA-N 1 0 332.370 2.219 40 30 EEEBRO C=CCn1c(=S)[nH]nc1CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000041689978 519166261 /nfs/dbraw/zinc/16/62/61/519166261.db2.gz WQGXQYAMQRZTHM-UHFFFAOYSA-N 1 0 343.500 2.487 40 30 EEEBRO N#Cc1c2[nH]c(=O)[nH]c(=O)c2sc1SCC[NH+]1CCCCC1 ZINC000019200274 212004400 /nfs/dbraw/zinc/00/44/00/212004400.db2.gz PLYXIUWGOUTVLP-UHFFFAOYSA-N 1 0 336.442 2.140 40 30 EEEBRO N#Cc1c(NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)nc2ccccn12 ZINC000097238130 219002881 /nfs/dbraw/zinc/00/28/81/219002881.db2.gz ZEIXWWBDYJLZHV-QGZVFWFLSA-N 1 0 347.422 2.037 40 30 EEEBRO C[C@@H](C1CC1)[N@H+](C)CC(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000091534366 462886356 /nfs/dbraw/zinc/88/63/56/462886356.db2.gz KBGXCZZEGKPGQH-LPHOPBHVSA-N 1 0 340.471 2.126 40 30 EEEBRO C=CCOC[C@@H]1CN(C)C(=O)[C@@H]2CC[N@@H+](Cc3cc(C)on3)CC[C@@H]21 ZINC000096066443 463165020 /nfs/dbraw/zinc/16/50/20/463165020.db2.gz OQKUHXWZCSENML-CGTJXYLNSA-N 1 0 347.459 2.102 40 30 EEEBRO C[C@H]1CN([C@H](CNC(=[NH2+])N(C)C)c2c(F)cccc2Cl)CCO1 ZINC000225546570 464170442 /nfs/dbraw/zinc/17/04/42/464170442.db2.gz WWVIKNYFFNTSTI-SMDDNHRTSA-N 1 0 342.846 2.117 40 30 EEEBRO CCn1cc([C@@H]2CN(CCOc3cccc(C#N)c3)CCO2)cn1 ZINC000190813746 464725334 /nfs/dbraw/zinc/72/53/34/464725334.db2.gz VGDASCNOAVFYRR-SFHVURJKSA-N 1 0 326.400 2.227 40 30 EEEBRO N#Cc1cccc(OC[C@H]2CO[C@@H]3C[N@@H+](C4CCOCC4)C[C@H]23)c1 ZINC000096219586 463216477 /nfs/dbraw/zinc/21/64/77/463216477.db2.gz VFWRQANCKRDCTE-KFKAGJAMSA-N 1 0 328.412 2.063 40 30 EEEBRO Cc1c(C#N)cccc1NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000186718527 464057037 /nfs/dbraw/zinc/05/70/37/464057037.db2.gz JMMIUKUHZUVNET-CYBMUJFWSA-N 1 0 330.432 2.176 40 30 EEEBRO C#CC[N@@+]1(C)[C@@H]2CC[C@H]1C[C@@H](OC(=O)[C@H](CO)c1ccccc1)C2 ZINC000252462056 464956466 /nfs/dbraw/zinc/95/64/66/464956466.db2.gz PLKWEVUMSNPOQP-CWVBCOCOSA-N 1 0 328.432 2.079 40 30 biogenic EEEBRO C[NH+]=C(NCc1noc(C)n1)N(C)CCOc1ccc(Cl)cc1 ZINC000097227575 518569132 /nfs/dbraw/zinc/56/91/32/518569132.db2.gz JRZHKTCXPBJRNR-UHFFFAOYSA-N 1 0 337.811 2.118 40 30 EEEBRO C=CCN1C(=O)COC2(CC[NH+](Cc3c(C)noc3C)CC2)[C@H]1C ZINC000096201543 463206660 /nfs/dbraw/zinc/20/66/60/463206660.db2.gz JTDBYZMGIGQWAX-OAHLLOKOSA-N 1 0 333.432 2.059 40 30 EEEBRO Cn1cc(C[N@@H+]2CC[C@]3(C[C@H](Nc4cccc(C#N)c4)CO3)C2)cn1 ZINC000096218871 463216124 /nfs/dbraw/zinc/21/61/24/463216124.db2.gz DYIABHPWKCEFNE-OALUTQOASA-N 1 0 337.427 2.137 40 30 EEEBRO CC[NH+]=C(NCc1noc(C)n1)N1CC[C@H](c2ccc(OC)cc2)C1 ZINC000097227576 463350325 /nfs/dbraw/zinc/35/03/25/463350325.db2.gz ZDGWKDCYHUZNQQ-HNNXBMFYSA-N 1 0 343.431 2.342 40 30 EEEBRO Cn1cc(C(=O)NC2CC3(C2)CC[N@H+](Cc2cccc(C#N)c2)C3)cn1 ZINC000108528168 463609955 /nfs/dbraw/zinc/60/99/55/463609955.db2.gz FHWFLSFHYLDITF-UHFFFAOYSA-N 1 0 349.438 2.076 40 30 EEEBRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NS(=O)(=O)Cc1cccc(C#N)c1 ZINC000195574165 464080622 /nfs/dbraw/zinc/08/06/22/464080622.db2.gz SCXULBFIAFLYAI-CABCVRRESA-N 1 0 335.473 2.098 40 30 EEEBRO CC[NH+]=C(NCc1ncnn1C)N1CC[C@H](c2ccccc2)[C@H](C)C1 ZINC000225511482 464167851 /nfs/dbraw/zinc/16/78/51/464167851.db2.gz NASMNKYFWGLAII-WBVHZDCISA-N 1 0 340.475 2.406 40 30 EEEBRO CC[NH+](CC)C[C@H]1CN(C(=O)c2cccc(C#N)c2)Cc2ccnn21 ZINC000575406443 468142655 /nfs/dbraw/zinc/14/26/55/468142655.db2.gz PLGAVMDDUNSLEI-SFHVURJKSA-N 1 0 337.427 2.294 40 30 EEEBRO CCC[NH+]1CCC(N2CCN(C(=O)C3(C#N)CCCCC3)CC2)CC1 ZINC000079002098 283318935 /nfs/dbraw/zinc/31/89/35/283318935.db2.gz BVIXLOXVWMEZMC-UHFFFAOYSA-N 1 0 346.519 2.479 40 30 EEEBRO CC[NH+]=C(NCc1ccon1)N[C@H]1CCN(c2ccc(F)cc2F)C1 ZINC000095410943 218347873 /nfs/dbraw/zinc/34/78/73/218347873.db2.gz DQGGTLYMJWXDLN-AWEZNQCLSA-N 1 0 349.385 2.287 40 30 EEEBRO C=CC[C@H](C)[C@H](C)[NH2+]C1CCN(S(=O)(=O)C2CCOCC2)CC1 ZINC000090035652 462768658 /nfs/dbraw/zinc/76/86/58/462768658.db2.gz BHNWZEXUGSDARL-GJZGRUSLSA-N 1 0 344.521 2.150 40 30 EEEBRO C[C@H]([NH2+]CCNS(=O)(=O)c1ccccc1)c1cccc(C#N)c1 ZINC000096491486 463287191 /nfs/dbraw/zinc/28/71/91/463287191.db2.gz PGPFGMYJCRQNJG-AWEZNQCLSA-N 1 0 329.425 2.187 40 30 EEEBRO C[C@H](O)[C@@H]1CCC[N@@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000096497124 463290446 /nfs/dbraw/zinc/29/04/46/463290446.db2.gz DJESYXFDJSHQIA-YXJHDRRASA-N 1 0 327.428 2.146 40 30 EEEBRO Cc1nn(-c2ccc(F)cc2)cc1CNC(=[NH2+])N1CCSCC1 ZINC000195529965 464072459 /nfs/dbraw/zinc/07/24/59/464072459.db2.gz KFHVIVWITNDYEL-UHFFFAOYSA-N 1 0 333.436 2.183 40 30 EEEBRO C[NH+]1CCC(C#N)(NC(=O)c2ccc(F)c(Br)c2)CC1 ZINC000080088213 217278203 /nfs/dbraw/zinc/27/82/03/217278203.db2.gz QZLOYDBXDXUIKA-UHFFFAOYSA-N 1 0 340.196 2.306 40 30 EEEBRO CCC[NH+](CCC)C[C@H]1CN(/N=C\c2ccc([N+](=O)[O-])o2)C(=O)O1 ZINC000004722219 462637110 /nfs/dbraw/zinc/63/71/10/462637110.db2.gz NHHQAESAQPUBLU-LWLPBDFMSA-N 1 0 338.364 2.465 40 30 EEEBRO N#Cc1cccc(N[C@H]2CO[C@@]3(CC[N@H+](Cc4cccnc4)C3)C2)n1 ZINC000096047682 463152239 /nfs/dbraw/zinc/15/22/39/463152239.db2.gz HCNZCQCOJCSWJV-MJGOQNOKSA-N 1 0 335.411 2.194 40 30 EEEBRO COc1cc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccc(C#N)c2)ncn1 ZINC000096184777 463195235 /nfs/dbraw/zinc/19/52/35/463195235.db2.gz IPAXUHLJLROGBL-SJORKVTESA-N 1 0 335.411 2.210 40 30 EEEBRO Cn1cc(-c2ncnc3c2CC[N@H+](Cc2cccc(C#N)c2)CC3)cn1 ZINC000096255196 463228630 /nfs/dbraw/zinc/22/86/30/463228630.db2.gz SMKWZEJWSGSYTP-UHFFFAOYSA-N 1 0 344.422 2.350 40 30 EEEBRO C#CC[NH+]1CCC(C(=O)N(c2ccccc2)[C@@H](CC)C(=O)OC)CC1 ZINC000096409916 463242698 /nfs/dbraw/zinc/24/26/98/463242698.db2.gz WDFDNDONOSOQQC-SFHVURJKSA-N 1 0 342.439 2.316 40 30 EEEBRO C[NH+]=C(NCc1cccn1C)N[C@@H](C)c1cc(OC)ccc1OC ZINC000097227514 463349743 /nfs/dbraw/zinc/34/97/43/463349743.db2.gz VPDZZRUVBXHEOH-ZDUSSCGKSA-N 1 0 330.432 2.469 40 30 EEEBRO NC(=O)c1ccc[n+](CC(=O)OCCC23CC4CC(CC(C4)C2)C3)c1 ZINC000004853670 527074263 /nfs/dbraw/zinc/07/42/63/527074263.db2.gz XAKZOYLDAOHPNY-UHFFFAOYSA-O 1 0 343.447 2.223 40 30 EEEBRO NC(=[NH2+])NN=C1c2ccccc2N(Cc2ccc(Cl)cc2)C1=O ZINC000005776076 1351728327 /nfs/dbraw/zinc/72/83/27/1351728327.db2.gz HKUDXOGJBQKCCB-ZHZULCJRSA-N 1 0 327.775 2.074 40 30 EEEBRO C[C@@H](CC#N)N(C)C(=O)Nc1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000086293137 462568619 /nfs/dbraw/zinc/56/86/19/462568619.db2.gz IWVIWSUOWJWJDR-ZDUSSCGKSA-N 1 0 333.411 2.343 40 30 EEEBRO C#CC[NH+]1CCC(C(=O)N(CC(=O)OCC)C2CCCCC2)CC1 ZINC000096412044 463244722 /nfs/dbraw/zinc/24/47/22/463244722.db2.gz WXUZFXSESFHWAK-UHFFFAOYSA-N 1 0 334.460 2.056 40 30 EEEBRO C=CC[NH+]1CCC(NC(=O)c2cccc(OCC(F)(F)F)n2)CC1 ZINC000096417012 463249494 /nfs/dbraw/zinc/24/94/94/463249494.db2.gz NYCSHZVRFOZHGL-UHFFFAOYSA-N 1 0 343.349 2.403 40 30 EEEBRO COCCN1CC[C@@]2(CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C1=O ZINC000108535224 463611648 /nfs/dbraw/zinc/61/16/48/463611648.db2.gz IUWPGANWXVTIHL-FQEVSTJZSA-N 1 0 341.455 2.409 40 30 EEEBRO CN(C)C(=[NH2+])NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000170910569 463739683 /nfs/dbraw/zinc/73/96/83/463739683.db2.gz UFZGQJXMWLTZRT-NSHDSACASA-N 1 0 325.254 2.152 40 30 EEEBRO C[C@H](NC(NCC(=O)N(C)C)=[NH+][C@@H]1CCCSC1)c1ccccc1 ZINC000195563356 464077672 /nfs/dbraw/zinc/07/76/72/464077672.db2.gz FKLSHVQEMRQCCM-GOEBONIOSA-N 1 0 348.516 2.267 40 30 EEEBRO N#Cc1cccc(C(=O)NCC2CC[NH+](C3CCOCC3)CC2)c1 ZINC000225561828 464172179 /nfs/dbraw/zinc/17/21/79/464172179.db2.gz RQOXCDSZXHAEPE-UHFFFAOYSA-N 1 0 327.428 2.179 40 30 EEEBRO C[N@@H+]1CC[C@H](NC(=O)Nc2ccn(CCC#N)n2)[C@H]1c1ccccc1 ZINC000249027061 464830155 /nfs/dbraw/zinc/83/01/55/464830155.db2.gz LCHUWWUVQXOPHC-DOTOQJQBSA-N 1 0 338.415 2.364 40 30 EEEBRO C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000253421233 465009143 /nfs/dbraw/zinc/00/91/43/465009143.db2.gz SJMFPCANFRRJKB-JCHJZTRSSA-N 1 0 343.471 2.389 40 30 EEEBRO CN(CC1CC[NH+](C)CC1)S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000096427920 218800609 /nfs/dbraw/zinc/80/06/09/218800609.db2.gz YHXWFOZBVVSCSC-UHFFFAOYSA-N 1 0 341.864 2.174 40 30 EEEBRO C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[C@@H]2Oc2ccccc2)CC1 ZINC000079033088 463181913 /nfs/dbraw/zinc/18/19/13/463181913.db2.gz YWSROZCESXQPFZ-OALUTQOASA-N 1 0 326.440 2.448 40 30 EEEBRO CC[NH+]=C(NCc1nnc2n1CCC2)N1CCC2(C1)CCCCC2 ZINC000096451311 463273284 /nfs/dbraw/zinc/27/32/84/463273284.db2.gz FSIFAGYNZFCCLX-UHFFFAOYSA-N 1 0 330.480 2.346 40 30 EEEBRO COCCN1CCCC2(CC[NH+](Cc3ccc(C#N)cc3)CC2)C1=O ZINC000108533762 463610988 /nfs/dbraw/zinc/61/09/88/463610988.db2.gz DXZUGDWTRNREQJ-UHFFFAOYSA-N 1 0 341.455 2.409 40 30 EEEBRO CC[NH+](CC)[C@@H]1CN(C(=O)c2cccc(C#N)c2)[C@@H]2CCCO[C@H]12 ZINC000248241754 464740247 /nfs/dbraw/zinc/74/02/47/464740247.db2.gz HITWNIJIOIPKIE-KURKYZTESA-N 1 0 327.428 2.272 40 30 EEEBRO Cc1nnc(SCCCN2CC[NH+](C(C)C)CC2)c(C#N)c1C ZINC000191558060 239185080 /nfs/dbraw/zinc/18/50/80/239185080.db2.gz GUNQOWNGYYPNHG-UHFFFAOYSA-N 1 0 333.505 2.473 40 30 EEEBRO C[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(Cc3cccc(C#N)c3)CC[C@@H]21 ZINC000107769811 204246700 /nfs/dbraw/zinc/24/67/00/204246700.db2.gz KRXAPZHBFLJRQU-AABGKKOBSA-N 1 0 335.455 2.350 40 30 EEEBRO N#Cc1ccccc1CN1Cc2ccnn2C[C@H](C[NH+]2CCCC2)C1 ZINC000306124221 269974179 /nfs/dbraw/zinc/97/41/79/269974179.db2.gz BJSSSRBYBQVKCL-QGZVFWFLSA-N 1 0 335.455 2.483 40 30 EEEBRO C#CCN(C)C(=O)C[C@@H]1CC[NH2+]C[C@@H]1Cc1cc(CCCC)on1 ZINC000015673367 462958934 /nfs/dbraw/zinc/95/89/34/462958934.db2.gz LMCLFSAYTHZMLG-HOTGVXAUSA-N 1 0 331.460 2.267 40 30 biogenic,in-vitro EEEBRO N#Cc1cccc(OC[C@H]2CO[C@@H]3C[N@H+](Cc4ccncc4)C[C@H]23)c1 ZINC000096219320 463216963 /nfs/dbraw/zinc/21/69/63/463216963.db2.gz PCDGNNJTLFEATB-DFQSSKMNSA-N 1 0 335.407 2.479 40 30 EEEBRO Cc1ncc(C[N@@H+]2CC[C@H](Nc3nccnc3C#N)[C@H](C)C2)s1 ZINC000096419452 463250759 /nfs/dbraw/zinc/25/07/59/463250759.db2.gz BOWLQIKOJRTRTF-RISCZKNCSA-N 1 0 328.445 2.436 40 30 EEEBRO COCC[NH2+]C[C@@H](O)CON=C1c2ccccc2-c2ccccc21 ZINC000002707498 201541897 /nfs/dbraw/zinc/54/18/97/201541897.db2.gz LGUIHZSWDZEVEN-CQSZACIVSA-N 1 0 326.396 2.033 40 30 EEEBRO C[NH+]=C(NCc1cccn1C)N[C@H](C)c1cc(OC)ccc1OC ZINC000097227515 218999432 /nfs/dbraw/zinc/99/94/32/218999432.db2.gz VPDZZRUVBXHEOH-CYBMUJFWSA-N 1 0 330.432 2.469 40 30 EEEBRO C[N@@H+]1C[C@H]2[C@H](C3=C(CC(C)(C)CC3=O)N2Cc2ccccc2)[C@@H](O)C1 ZINC000004273416 210158437 /nfs/dbraw/zinc/15/84/37/210158437.db2.gz KOHMZZHVNVAGOM-QRFRQXIXSA-N 1 0 340.467 2.437 40 30 EEEBRO N#Cc1cnc(NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c(Cl)c1 ZINC000079353706 283235623 /nfs/dbraw/zinc/23/56/23/283235623.db2.gz VGOIVPRRUDGLOY-MRXNPFEDSA-N 1 0 342.830 2.438 40 30 EEEBRO C=CC[N@H+]1CCOCC2(CC(Cc3nc(N(C)C)ncc3F)C2)C1 ZINC000257270337 201191998 /nfs/dbraw/zinc/19/19/98/201191998.db2.gz MTUIWZMZNWADSX-UHFFFAOYSA-N 1 0 334.439 2.139 40 30 EEEBRO Cc1nc[nH]c1C[N@@H+]1C[C@H]2OC[C@H](COc3cccc(C#N)c3)[C@H]2C1 ZINC000096215929 463213436 /nfs/dbraw/zinc/21/34/36/463213436.db2.gz FCSBVNJJKBUQER-KVSKMBFKSA-N 1 0 338.411 2.116 40 30 EEEBRO C[NH+]=C(NCc1nncn1C)N[C@@H](C)c1ccc(OCC(C)C)cc1 ZINC000097229979 518570341 /nfs/dbraw/zinc/57/03/41/518570341.db2.gz YEYLOQTXRTYWMS-AWEZNQCLSA-N 1 0 344.463 2.276 40 30 EEEBRO C#CCOc1cccc(C[N@H+]2[C@@H]3CC[C@H]2Cc2c(nc(C)[nH]c2=O)C3)c1 ZINC000019286374 212010649 /nfs/dbraw/zinc/01/06/49/212010649.db2.gz MACAEQPCSDDUPT-DLBZAZTESA-N 1 0 349.434 2.222 40 30 EEEBRO C=CCO[C@H]1CC[N@@H+](Cc2cccnc2OC)[C@H]1Cc1cnn(C)c1 ZINC000096200673 463206128 /nfs/dbraw/zinc/20/61/28/463206128.db2.gz TUOOUDGDLZOOOF-ROUUACIJSA-N 1 0 342.443 2.212 40 30 EEEBRO C[N@H+](CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)C1CCC1 ZINC000096493077 463287861 /nfs/dbraw/zinc/28/78/61/463287861.db2.gz GLECPDHTIFRWSQ-GOSISDBHSA-N 1 0 344.434 2.019 40 30 EEEBRO C[NH+]=C(NCC(=O)N1CCCC1)NCc1ccc(C)cc1OC(C)C ZINC000152823150 201392563 /nfs/dbraw/zinc/39/25/63/201392563.db2.gz PXYBNOKAQSEEHY-UHFFFAOYSA-N 1 0 346.475 2.070 40 30 EEEBRO C#CCOc1cccc(C[N@@H+]2[C@@H]3CC[C@H]2Cc2nc(C)[nH]c(=O)c2C3)c1 ZINC000019286371 212010090 /nfs/dbraw/zinc/01/00/90/212010090.db2.gz MACAEQPCSDDUPT-SJORKVTESA-N 1 0 349.434 2.222 40 30 EEEBRO CC[C@]1(C)C[C@]2(CCC[N@H+](CC#CCN3CCOCC3)C2)CCO1 ZINC000004764464 210273991 /nfs/dbraw/zinc/27/39/91/210273991.db2.gz QCWLWXCLQMWJSW-UXHICEINSA-N 1 0 334.504 2.383 40 30 EEEBRO C[N@@H+]1CC[C@@H](NC(=O)Nc2ccn(CCC#N)n2)[C@@H]1c1ccccc1 ZINC000189660925 290140859 /nfs/dbraw/zinc/14/08/59/290140859.db2.gz LCHUWWUVQXOPHC-WBVHZDCISA-N 1 0 338.415 2.364 40 30 EEEBRO N#Cc1cccc(CN2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c1 ZINC000096183394 463196070 /nfs/dbraw/zinc/19/60/70/463196070.db2.gz KQMSRISUQMWCSK-LEWJYISDSA-N 1 0 348.450 2.429 40 30 EEEBRO N#Cc1cccc(OC[C@H]2CO[C@@H]3C[N@H+](Cc4cccnc4)C[C@H]23)c1 ZINC000096219294 463216892 /nfs/dbraw/zinc/21/68/92/463216892.db2.gz SHYVADXBKNHCOK-DFQSSKMNSA-N 1 0 335.407 2.479 40 30 EEEBRO C[N@H+](CCNC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1)C1CCCC1 ZINC000096410766 463243792 /nfs/dbraw/zinc/24/37/92/463243792.db2.gz KYKHSUZKMKSUOB-UHFFFAOYSA-N 1 0 348.834 2.141 40 30 EEEBRO CCn1cc([C@H]2CN(CCOc3cccc(C#N)c3)CCO2)cn1 ZINC000190813761 464725595 /nfs/dbraw/zinc/72/55/95/464725595.db2.gz VGDASCNOAVFYRR-GOSISDBHSA-N 1 0 326.400 2.227 40 30 EEEBRO C#C[C@H]1C[N@H+]2CC[C@H]1C[C@@H]2CNC(=O)Nc1ccc(C(C)=O)cc1 ZINC000008300627 462776737 /nfs/dbraw/zinc/77/67/37/462776737.db2.gz KRKGEQVUPUYJNG-QILLFSRXSA-N 1 0 325.412 2.354 40 30 biogenic,in-vitro EEEBRO CC(C)n1c(Sc2nccnc2C#N)nnc1C1CC[NH2+]CC1 ZINC000096410276 463242316 /nfs/dbraw/zinc/24/23/16/463242316.db2.gz XLPBMCALDGNMLT-UHFFFAOYSA-N 1 0 329.433 2.139 40 30 EEEBRO N#Cc1cccc(C(=O)NCc2ccccc2C[N@H+]2CCC[C@H]2CO)c1 ZINC000096500977 463292038 /nfs/dbraw/zinc/29/20/38/463292038.db2.gz PYJXEHDUOROMQH-FQEVSTJZSA-N 1 0 349.434 2.445 40 30 EEEBRO C[NH+]1CCN(c2c(N)cc(C#N)n2Cc2ccc(Cl)cc2)CC1 ZINC000225869297 464182420 /nfs/dbraw/zinc/18/24/20/464182420.db2.gz XEPZWUGWTGXANE-UHFFFAOYSA-N 1 0 329.835 2.395 40 30 EEEBRO C=CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCCO3)CC[C@@]2(c2ccccc2)C1 ZINC000248170350 464736980 /nfs/dbraw/zinc/73/69/80/464736980.db2.gz RPRCGOWIULOATA-ZVDOUQERSA-N 1 0 340.467 2.454 40 30 EEEBRO CCn1cc(C[N@@H+]2CCCN(c3nc4ccccn4c3C#N)CC2)cn1 ZINC000253427657 465011373 /nfs/dbraw/zinc/01/13/73/465011373.db2.gz XQKHKYNYZVVDFP-UHFFFAOYSA-N 1 0 349.442 2.135 40 30 EEEBRO C=CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCO3)CC[C@]2(c2ccccc2)C1 ZINC000096083267 463170472 /nfs/dbraw/zinc/17/04/72/463170472.db2.gz RPRCGOWIULOATA-SFHLNBCPSA-N 1 0 340.467 2.454 40 30 EEEBRO C(NC(NC[C@@H]1CCCCO1)=[NH+]C1CCCC1)c1nc(C2CC2)no1 ZINC000195564382 464077345 /nfs/dbraw/zinc/07/73/45/464077345.db2.gz GGJOVFBCCPORFZ-HNNXBMFYSA-N 1 0 347.463 2.494 40 30 EEEBRO C[C@@H](CO)[N@@H+]1CCCN(c2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000241439854 464452223 /nfs/dbraw/zinc/45/22/23/464452223.db2.gz NMUJBVAZRYVNJM-LBPRGKRZSA-N 1 0 327.350 2.470 40 30 EEEBRO C[NH+]=C(NCCc1csc(N2CCCC2)n1)NCc1ccco1 ZINC000252480144 464959900 /nfs/dbraw/zinc/95/99/00/464959900.db2.gz BWRVMBCGZRINRH-UHFFFAOYSA-N 1 0 333.461 2.244 40 30 EEEBRO CCC[NH+](CCC)C[C@@H]1CN(/N=C/c2ccc([N+](=O)[O-])o2)C(=O)O1 ZINC000001684428 521648045 /nfs/dbraw/zinc/64/80/45/521648045.db2.gz NHHQAESAQPUBLU-BPKVKKHESA-N 1 0 338.364 2.465 40 30 EEEBRO Cc1ccc(NC(=O)CO[NH+]=C(N)c2ccc(N(C)C)cc2)cc1F ZINC000079863403 539345200 /nfs/dbraw/zinc/34/52/00/539345200.db2.gz HYTCTUXYLJMKDN-UHFFFAOYSA-N 1 0 344.390 2.476 40 30 EEEBRO C[NH+](C)[C@@H]1CCOC2(CCN(C(=O)c3ccc(C#N)cc3)CC2)C1 ZINC000108526417 219898161 /nfs/dbraw/zinc/89/81/61/219898161.db2.gz YZIVLMZZTOZMJN-QGZVFWFLSA-N 1 0 327.428 2.274 40 30 EEEBRO C[C@@H]1CN(C)CC[N@@H+]1CC1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC000085468139 462548997 /nfs/dbraw/zinc/54/89/97/462548997.db2.gz DQFAYTKSXNXKAG-MRXNPFEDSA-N 1 0 340.471 2.046 40 30 EEEBRO C[NH+]=C(NCc1cccc(N(C)C)n1)NC[C@@H]1CCO[C@@H]1C(C)(C)C ZINC000096484697 463282609 /nfs/dbraw/zinc/28/26/09/463282609.db2.gz SQCLPYHZKKOXCM-YOEHRIQHSA-N 1 0 347.507 2.264 40 30 EEEBRO C[NH+]1CCN(c2ccc(NC(=O)c3cc(C#N)cs3)nc2)CC1 ZINC000084181970 463583472 /nfs/dbraw/zinc/58/34/72/463583472.db2.gz JGHJUOFPEKIKFQ-UHFFFAOYSA-N 1 0 327.413 2.019 40 30 EEEBRO [NH2+]=C(NCc1ccnc(OC2CCOCC2)c1)N1CCCCCC1 ZINC000195539992 464073395 /nfs/dbraw/zinc/07/33/95/464073395.db2.gz QHLCHJUALYWIQY-UHFFFAOYSA-N 1 0 332.448 2.330 40 30 EEEBRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C1(C#N)CCC1 ZINC000075328355 216609228 /nfs/dbraw/zinc/60/92/28/216609228.db2.gz VVRZPLIDZVZEKP-UHFFFAOYSA-N 1 0 342.443 2.469 40 30 EEEBRO N#Cc1cccc(N[C@@H]2CO[C@@]3(CC[N@H+](CC4CCOCC4)C3)C2)n1 ZINC000096047703 463152296 /nfs/dbraw/zinc/15/22/96/463152296.db2.gz BQLAIDRJUWJSRV-HKUYNNGSSA-N 1 0 342.443 2.025 40 30 EEEBRO C#CCC[NH+]1CCN(CCOc2ccccc2Br)CC1 ZINC000096494248 463288118 /nfs/dbraw/zinc/28/81/18/463288118.db2.gz GZVYQHUZHMXWRY-UHFFFAOYSA-N 1 0 337.261 2.469 40 30 EEEBRO C#CC[NH+]1CCC(C(=O)N[C@@H](C)c2cccc(-n3cccn3)c2)CC1 ZINC000074035695 518268636 /nfs/dbraw/zinc/26/86/36/518268636.db2.gz GCLNSKVPSFRRCU-INIZCTEOSA-N 1 0 336.439 2.395 40 30 EEEBRO COc1ccccc1CNC(=O)CO/[NH+]=C/c1ccc(N(C)C)cc1 ZINC000003564074 524465177 /nfs/dbraw/zinc/46/51/77/524465177.db2.gz OACGULRGWPUKEM-CIAFOILYSA-N 1 0 341.411 2.428 40 30 EEEBRO C=CC[N@@H+]1CCO[C@@H]2CN(C(=O)CCc3ccccc3)CC[C@@H]2C1 ZINC000096249646 463227303 /nfs/dbraw/zinc/22/73/03/463227303.db2.gz ZIQPWIXMZWXLRB-RTBURBONSA-N 1 0 328.456 2.355 40 30 EEEBRO CNC(N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)=[NH+]C ZINC000195546221 464074066 /nfs/dbraw/zinc/07/40/66/464074066.db2.gz FROWYBBHAVLMJL-VIFPVBQESA-N 1 0 335.761 2.127 40 30 EEEBRO COc1cccc(NC(=O)NCC#CC[NH+]2CCCCC2)c1OC ZINC000075164793 216592327 /nfs/dbraw/zinc/59/23/27/216592327.db2.gz SCLATJQMUNEGCI-UHFFFAOYSA-N 1 0 331.416 2.315 40 30 EEEBRO C[N@@H+]1C[C@@H]2[C@@H](C3=C(CC(C)(C)CC3=O)N2Cc2ccccc2)[C@@H](O)C1 ZINC000004273417 210157833 /nfs/dbraw/zinc/15/78/33/210157833.db2.gz KOHMZZHVNVAGOM-IMFGXOCKSA-N 1 0 340.467 2.437 40 30 EEEBRO C=CC[NH+]1CCC(NC(=O)[C@]2(C)CC(c3ccc(F)cc3)=NO2)CC1 ZINC000226747179 242111260 /nfs/dbraw/zinc/11/12/60/242111260.db2.gz MCKMWJHXCMWCCV-IBGZPJMESA-N 1 0 345.418 2.475 40 30 EEEBRO C=CC[NH+]1CCC(NC(=O)c2cn(-c3ccc(OC)cc3)cn2)CC1 ZINC000226752121 242112930 /nfs/dbraw/zinc/11/29/30/242112930.db2.gz XLZQIOLYJQHAHT-UHFFFAOYSA-N 1 0 340.427 2.261 40 30 EEEBRO N#Cc1ccc(C(=O)N2CC[C@H]3CO[C@H](C[NH+]4CCCC4)[C@H]3C2)cc1 ZINC000096185424 294901063 /nfs/dbraw/zinc/90/10/63/294901063.db2.gz CFMQAMPPCUKUSX-GBESFXJTSA-N 1 0 339.439 2.131 40 30 EEEBRO N#Cc1cccc(N[C@@H]2CO[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC000096047678 463151397 /nfs/dbraw/zinc/15/13/97/463151397.db2.gz QSNYGAQTCLOBFJ-HKUYNNGSSA-N 1 0 335.411 2.194 40 30 EEEBRO Cn1cc(N2C(=O)CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccc(C#N)c2)cn1 ZINC000096186485 463198722 /nfs/dbraw/zinc/19/87/22/463198722.db2.gz APCRCLYBBAIEJT-QZTJIDSGSA-N 1 0 335.411 2.062 40 30 EEEBRO N#Cc1ccc(C(=O)N2CCn3cc(C[NH+]4CCCC4)nc3C2)cc1 ZINC000096197240 463203698 /nfs/dbraw/zinc/20/36/98/463203698.db2.gz FJPOJLZUKBPELQ-UHFFFAOYSA-N 1 0 335.411 2.007 40 30 EEEBRO C[NH+](C)CCN1CCN(Cc2cccc(C#N)c2)Cc2cccnc21 ZINC000096198832 463204700 /nfs/dbraw/zinc/20/47/00/463204700.db2.gz PYULMAXGWQHUAN-UHFFFAOYSA-N 1 0 335.455 2.337 40 30 EEEBRO C[C@H](C1CC1)[N@H+](C)CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 ZINC000096492669 463288087 /nfs/dbraw/zinc/28/80/87/463288087.db2.gz BPPUYJRWLAJTKN-ZBFHGGJFSA-N 1 0 346.500 2.187 40 30 EEEBRO N#Cc1c(NC[C@H](O)C[N@@H+]2CCc3ccccc3C2)nc2ccccn12 ZINC000097238131 219003599 /nfs/dbraw/zinc/00/35/99/219003599.db2.gz ZEIXWWBDYJLZHV-KRWDZBQOSA-N 1 0 347.422 2.037 40 30 EEEBRO C[C@@H]([NH2+]Cc1ccc(F)c(C#N)c1)c1ccc(S(N)(=O)=O)cc1 ZINC000097370710 219016233 /nfs/dbraw/zinc/01/62/33/219016233.db2.gz ZAXOWOLNDWALPE-LLVKDONJSA-N 1 0 333.388 2.196 40 30 EEEBRO C[C@H](O)[C@H]1CCC[N@@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000096497126 463289936 /nfs/dbraw/zinc/28/99/36/463289936.db2.gz DJESYXFDJSHQIA-QILLFSRXSA-N 1 0 327.428 2.146 40 30 EEEBRO Cc1nccc(NC(=O)NC2CC[NH+](Cc3ccncc3)CC2)n1 ZINC000330144199 465547023 /nfs/dbraw/zinc/54/70/23/465547023.db2.gz ZKGZSXVNODOMOB-UHFFFAOYSA-N 1 0 326.404 2.171 40 30 EEEBRO N#Cc1cccc(C[N@H+]2CCC3(CC(NC(=O)c4cnccn4)C3)C2)c1 ZINC000108528733 463610413 /nfs/dbraw/zinc/61/04/13/463610413.db2.gz SJSQJOKOIUEETR-UHFFFAOYSA-N 1 0 347.422 2.133 40 30 EEEBRO C=CC[NH+]1CCC(NC(=O)[C@@]2(C)CC(c3ccc(F)cc3)=NO2)CC1 ZINC000226747171 242110870 /nfs/dbraw/zinc/11/08/70/242110870.db2.gz MCKMWJHXCMWCCV-LJQANCHMSA-N 1 0 345.418 2.475 40 30 EEEBRO CN(C(=[NH2+])NC[C@H](c1cccc(Cl)c1)N1CCOCC1)C1CC1 ZINC000241383532 288772950 /nfs/dbraw/zinc/77/29/50/288772950.db2.gz MWBXYXBPJYFLEP-MRXNPFEDSA-N 1 0 336.867 2.122 40 30 EEEBRO N#Cc1ccc(COCC2CC[NH+](CC(=O)N3CCCC3)CC2)cc1 ZINC000075156593 462687951 /nfs/dbraw/zinc/68/79/51/462687951.db2.gz QARIHGOBMKBJDX-UHFFFAOYSA-N 1 0 341.455 2.409 40 30 EEEBRO N#Cc1cccc(C[N@@H+]2C[C@H](OCC3CCOCC3)[C@H]3COC[C@H]32)c1 ZINC000096185045 463196197 /nfs/dbraw/zinc/19/61/97/463196197.db2.gz CDMJYJZSAHFMEJ-ZCNNSNEGSA-N 1 0 342.439 2.201 40 30 EEEBRO Cc1nc[nH]c1C[N@@H+]1C[C@H]2OC[C@@H](COc3cccc(C#N)c3)[C@H]2C1 ZINC000096217193 463215643 /nfs/dbraw/zinc/21/56/43/463215643.db2.gz FCSBVNJJKBUQER-SZVBFZGTSA-N 1 0 338.411 2.116 40 30 EEEBRO N#Cc1cccc(C(=O)NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)c1 ZINC000096500976 463291783 /nfs/dbraw/zinc/29/17/83/463291783.db2.gz PYJXEHDUOROMQH-HXUWFJFHSA-N 1 0 349.434 2.445 40 30 EEEBRO CCS(=O)(=O)N1CCC([NH2+][C@@H](C)c2ccc(C#N)cc2F)CC1 ZINC000195557220 464076053 /nfs/dbraw/zinc/07/60/53/464076053.db2.gz UTSPCFSMSDXZLR-LBPRGKRZSA-N 1 0 339.436 2.162 40 30 EEEBRO Cc1cnccc1NC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000332554163 466545644 /nfs/dbraw/zinc/54/56/44/466545644.db2.gz RPJWWQCRCOPUQZ-UHFFFAOYSA-N 1 0 335.411 2.033 40 30 EEEBRO C[NH+]=C(NC[C@@H]1CCOC1)N(C)CCOc1ccc(Cl)cc1 ZINC000195530274 518569819 /nfs/dbraw/zinc/56/98/19/518569819.db2.gz TVKPLLBOQHHABB-ZDUSSCGKSA-N 1 0 325.840 2.263 40 30 EEEBRO N#Cc1cccc(C(=O)N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2ccccn2)c1 ZINC000096184726 463195852 /nfs/dbraw/zinc/19/58/52/463195852.db2.gz CFANWKBFSJTSRL-RBUKOAKNSA-N 1 0 332.407 2.442 40 30 EEEBRO N#Cc1cccc(C(=O)N2CC[C@H]3[C@H]2CC[N@@H+]3CC2CCOCC2)c1 ZINC000096184462 463196360 /nfs/dbraw/zinc/19/63/60/463196360.db2.gz JBOOSJFMSXVGNZ-RBUKOAKNSA-N 1 0 339.439 2.274 40 30 EEEBRO C#CC1(OC[C@@H](O)C[N@@H+](CCO)Cc2ccccc2)CCCCC1 ZINC000096305975 463234410 /nfs/dbraw/zinc/23/44/10/463234410.db2.gz VCYFDUOGLKXOSA-IBGZPJMESA-N 1 0 331.456 2.195 40 30 EEEBRO C[NH+]=C(NCc1ccn(C2CCCC2)n1)NCc1nc(C2CC2)no1 ZINC000097378378 463356382 /nfs/dbraw/zinc/35/63/82/463356382.db2.gz SQSIWDCRXKJIHN-UHFFFAOYSA-N 1 0 343.435 2.124 40 30 EEEBRO C[C@@H](C1CC1)[N@H+](C)CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000245287235 464469938 /nfs/dbraw/zinc/46/99/38/464469938.db2.gz BPPUYJRWLAJTKN-GOEBONIOSA-N 1 0 346.500 2.187 40 30 EEEBRO O=C(C[N+]12CN3CN(CN(C3)C1)C2)c1ccc(-c2ccccc2)cc1 ZINC000019319369 212015412 /nfs/dbraw/zinc/01/54/12/212015412.db2.gz PBJXXWUOAZVHEP-UHFFFAOYSA-N 1 0 335.431 2.045 40 30 aggregator,in-vitro EEEBRO C[NH+]=C(NCc1cccc(N(C)C)n1)NC[C@@H]1CCO[C@H]1C(C)(C)C ZINC000096484698 218860897 /nfs/dbraw/zinc/86/08/97/218860897.db2.gz SQCLPYHZKKOXCM-WMLDXEAASA-N 1 0 347.507 2.264 40 30 EEEBRO C[C@H](CC#N)N(C)C(=O)Nc1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000086293139 462568885 /nfs/dbraw/zinc/56/88/85/462568885.db2.gz IWVIWSUOWJWJDR-CYBMUJFWSA-N 1 0 333.411 2.343 40 30 EEEBRO N#Cc1cccc(CNC(=O)CC[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000074369798 462591682 /nfs/dbraw/zinc/59/16/82/462591682.db2.gz XUPSEVABZQOMSJ-UHFFFAOYSA-N 1 0 348.450 2.387 40 30 EEEBRO C#C[C@H]1C[N@H+]2CC[C@H]1C[C@@H]2CNC(=S)Nc1ccc(OC)cc1 ZINC000008254597 462774834 /nfs/dbraw/zinc/77/48/34/462774834.db2.gz RSEHFCTVVFUHHR-OFQRWUPVSA-N 1 0 329.469 2.325 40 30 biogenic,in-vitro EEEBRO N#Cc1cccc(CN2Cc3nccn3C[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000096188353 463199987 /nfs/dbraw/zinc/19/99/87/463199987.db2.gz GVYRUYGJCICUNG-IBGZPJMESA-N 1 0 335.455 2.483 40 30 EEEBRO C=CC[NH+]1CCC2(CC1)C[C@@H](NC(=O)COC)c1ccccc1O2 ZINC000096242777 463225117 /nfs/dbraw/zinc/22/51/17/463225117.db2.gz IRHDIVYFXBXYCJ-MRXNPFEDSA-N 1 0 330.428 2.293 40 30 EEEBRO C[NH+]=C(NCc1nncn1C)N[C@H](C)c1ccc(OCC(C)C)cc1 ZINC000097229978 463351714 /nfs/dbraw/zinc/35/17/14/463351714.db2.gz YEYLOQTXRTYWMS-CQSZACIVSA-N 1 0 344.463 2.276 40 30 EEEBRO CC(C)[NH+]1CCN(CCCN2CCC[C@@]3(CCCCO3)[C@@H]2C#N)CC1 ZINC000253398317 465001704 /nfs/dbraw/zinc/00/17/04/465001704.db2.gz JUVWKWQPYTZJFB-PMACEKPBSA-N 1 0 348.535 2.330 40 30 EEEBRO N#Cc1cccc(C(=O)N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)c1 ZINC000306130711 466488915 /nfs/dbraw/zinc/48/89/15/466488915.db2.gz JNMYPJJPKDCQSW-RBUKOAKNSA-N 1 0 332.407 2.442 40 30 EEEBRO N#Cc1ccc(N2CCC[C@H](C[NH+]3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000069797770 463327639 /nfs/dbraw/zinc/32/76/39/463327639.db2.gz LKIDNCKWHZZLIH-OAHLLOKOSA-N 1 0 330.388 2.015 40 30 EEEBRO C[NH+]=C(NCC(C1CC1)C1CC1)N1CC[C@H](Cc2cnn(C)c2)C1 ZINC000086543593 518572102 /nfs/dbraw/zinc/57/21/02/518572102.db2.gz YFMSEPAOVYFLJQ-CQSZACIVSA-N 1 0 329.492 2.296 40 30 EEEBRO N#Cc1cc(NC(=O)NCCCC[N@H+]2CCC[C@H]2CO)ccc1F ZINC000096434618 463262075 /nfs/dbraw/zinc/26/20/75/463262075.db2.gz XZPTYCHXTHCXLZ-HNNXBMFYSA-N 1 0 334.395 2.056 40 30 EEEBRO N#Cc1ccc(NC(=O)[C@@H]2CN(Cc3ccccc3)CCO2)cc1C#N ZINC000253419964 465007139 /nfs/dbraw/zinc/00/71/39/465007139.db2.gz PJZLYVYQZCUTDN-IBGZPJMESA-N 1 0 346.390 2.269 40 30 EEEBRO CCC[NH+](CCC)C[C@@H]1CN(/N=C\c2ccc([N+](=O)[O-])o2)C(=O)O1 ZINC000004722218 276252870 /nfs/dbraw/zinc/25/28/70/276252870.db2.gz NHHQAESAQPUBLU-WPBJZHHJSA-N 1 0 338.364 2.465 40 30 EEEBRO Cc1cc2ccc(OC(=O)c3ccc(NC(N)=[NH2+])cc3)cc2oc1=O ZINC000006522254 462688565 /nfs/dbraw/zinc/68/85/65/462688565.db2.gz CSSIVLWXGWMEOY-UHFFFAOYSA-N 1 0 337.335 2.226 40 30 in-vitro EEEBRO C[C@@H]1CCCN(C(=[NH2+])NCCCS(=O)(=O)Cc2ccccc2)C1 ZINC000195529969 464072402 /nfs/dbraw/zinc/07/24/02/464072402.db2.gz XDKQQLYHWYEDSP-OAHLLOKOSA-N 1 0 337.489 2.038 40 30 EEEBRO CC(C)[NH+]1CCN(CCCN2CCC[C@]3(CCCCO3)[C@H]2C#N)CC1 ZINC000253398328 465002264 /nfs/dbraw/zinc/00/22/64/465002264.db2.gz JUVWKWQPYTZJFB-WOJBJXKFSA-N 1 0 348.535 2.330 40 30 EEEBRO Cn1nc(-c2ccc(F)cc2)cc1C(=O)NCC#CC[NH+]1CCCC1 ZINC000075164652 462690250 /nfs/dbraw/zinc/69/02/50/462690250.db2.gz GXZYEVIFBJBMMS-UHFFFAOYSA-N 1 0 340.402 2.055 40 30 EEEBRO N#Cc1cccc(N[C@@H]2CO[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC000096047679 463152393 /nfs/dbraw/zinc/15/23/93/463152393.db2.gz QSNYGAQTCLOBFJ-PKOBYXMFSA-N 1 0 335.411 2.194 40 30 EEEBRO C=CC[N@@H+]1CCO[C@@H]2CN(C(=O)NCc3ccccc3)CC[C@@H]2C1 ZINC000096249648 463227816 /nfs/dbraw/zinc/22/78/16/463227816.db2.gz JQAXGEZODCGBMP-QZTJIDSGSA-N 1 0 329.444 2.105 40 30 EEEBRO CC(C)[NH+]1CCN(CCCN2CCC[C@@]3(CCCCO3)[C@H]2C#N)CC1 ZINC000253398321 465002349 /nfs/dbraw/zinc/00/23/49/465002349.db2.gz JUVWKWQPYTZJFB-UXHICEINSA-N 1 0 348.535 2.330 40 30 EEEBRO C(NC(NC[C@@H]1CCCO1)=[NH+]C1CCCC1)c1nc(C2CC2)no1 ZINC000073468177 463615445 /nfs/dbraw/zinc/61/54/45/463615445.db2.gz SNSKCVHYKFWWTG-AWEZNQCLSA-N 1 0 333.436 2.104 40 30 EEEBRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NS(=O)(=O)Cc1cccc(C#N)c1 ZINC000249208049 464852520 /nfs/dbraw/zinc/85/25/20/464852520.db2.gz SCXULBFIAFLYAI-GJZGRUSLSA-N 1 0 335.473 2.098 40 30 EEEBRO C[N@@H+]1CC[C@@H](NC(=O)Nc2ccn(CCC#N)n2)[C@H]1c1ccccc1 ZINC000249027062 290140899 /nfs/dbraw/zinc/14/08/99/290140899.db2.gz LCHUWWUVQXOPHC-NVXWUHKLSA-N 1 0 338.415 2.364 40 30 EEEBRO Cc1csc(=O)n1CC[N@@H+]1CCCN(c2ccc(C#N)cc2)CC1 ZINC000044937821 462541499 /nfs/dbraw/zinc/54/14/99/462541499.db2.gz PYHMQHPGIXVHIP-UHFFFAOYSA-N 1 0 342.468 2.302 40 30 EEEBRO O=C(NCC#CC[NH+]1CCCC1)c1ccc(OC(F)(F)F)cc1 ZINC000075164657 462689428 /nfs/dbraw/zinc/68/94/28/462689428.db2.gz KRXYNUYYFQTDCC-UHFFFAOYSA-N 1 0 326.318 2.414 40 30 EEEBRO N#Cc1cc(Cl)ccc1S(=O)(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000096427889 463258052 /nfs/dbraw/zinc/25/80/52/463258052.db2.gz MJIRUEIDOYRAFH-AWEZNQCLSA-N 1 0 339.848 2.070 40 30 EEEBRO C[NH+]=C(NCc1cccc(N(C)C)n1)NC[C@H]1CCO[C@H]1C(C)(C)C ZINC000096484700 463282331 /nfs/dbraw/zinc/28/23/31/463282331.db2.gz SQCLPYHZKKOXCM-RHSMWYFYSA-N 1 0 347.507 2.264 40 30 EEEBRO C[NH+]=C(NCCc1ccc(C(F)(F)F)cc1)NCc1noc(C)n1 ZINC000083151595 463536184 /nfs/dbraw/zinc/53/61/84/463536184.db2.gz WQLPMCSPBCYXAK-UHFFFAOYSA-N 1 0 341.337 2.305 40 30 EEEBRO C=CC[C@H](C)[C@@H](C)[NH2+]C1CCN(S(=O)(=O)C2CCOCC2)CC1 ZINC000090035650 519110376 /nfs/dbraw/zinc/11/03/76/519110376.db2.gz BHNWZEXUGSDARL-LSDHHAIUSA-N 1 0 344.521 2.150 40 30 EEEBRO C[N@@H+]1C[C@@H]2[C@H](C3=C(CC(C)(C)CC3=O)N2Cc2ccccc2)[C@@H](O)C1 ZINC000004273418 210157819 /nfs/dbraw/zinc/15/78/19/210157819.db2.gz KOHMZZHVNVAGOM-KPFFTGBYSA-N 1 0 340.467 2.437 40 30 EEEBRO CN(C)c1cc[n+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000004893574 210314968 /nfs/dbraw/zinc/31/49/68/210314968.db2.gz YICVNAFBEBAXFG-UHFFFAOYSA-O 1 0 335.771 2.240 40 30 EEEBRO N#CC1(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CCOCC1 ZINC000096406422 463240702 /nfs/dbraw/zinc/24/07/02/463240702.db2.gz UAYBDRPMNHIJQD-KRWDZBQOSA-N 1 0 327.428 2.088 40 30 EEEBRO C[C@H]([NH2+]CC(=O)N[C@@](C)(C#N)C1CC1)c1ccc2c(c1)CCC(=O)N2 ZINC000096491027 463286114 /nfs/dbraw/zinc/28/61/14/463286114.db2.gz HAHPHOOSGGJXDF-BUXKBTBVSA-N 1 0 340.427 2.030 40 30 EEEBRO C=CCN1CC[C@H](Nc2ccccc2C[NH+]2CCC(CO)CC2)C1=O ZINC000241862505 464454941 /nfs/dbraw/zinc/45/49/41/464454941.db2.gz SQQRYGWXSNRGHW-IBGZPJMESA-N 1 0 343.471 2.090 40 30 EEEBRO C[N@@H+]1C[C@@H](C(=O)N2CCC(C#N)CC2)[C@@H]2COc3ccc(F)cc3[C@@H]21 ZINC001772595912 1178866359 /nfs/dbraw/zinc/86/63/59/1178866359.db2.gz SDIKZBHWWOOTPU-RYRKJORJSA-N 1 0 343.402 2.199 40 30 EEEBRO C[NH+]=C(NCc1ncnn1C)N1CC[C@](C)(CCc2ccccc2)C1 ZINC000225464686 275409219 /nfs/dbraw/zinc/40/92/19/275409219.db2.gz HSDIYFMNIMMNKU-IBGZPJMESA-N 1 0 340.475 2.235 40 30 EEEBRO CN(C)C(=O)c1nc2c(s1)CC[N@H+](Cc1cccc(C#N)c1)CC2 ZINC000096187577 463199157 /nfs/dbraw/zinc/19/91/57/463199157.db2.gz HUSTXXIJHHVKFH-UHFFFAOYSA-N 1 0 340.452 2.317 40 30 EEEBRO Cn1cc(CNCc2nnc3ccccn32)c(-c2ccc(C#N)cc2)n1 ZINC000195552822 464075735 /nfs/dbraw/zinc/07/57/35/464075735.db2.gz OLQLKFXEIDOCKA-UHFFFAOYSA-N 1 0 343.394 2.291 40 30 EEEBRO CCC(CC)(CNC(NCc1nncn1C)=[NH+]C)c1ccccc1 ZINC000095406723 218342759 /nfs/dbraw/zinc/34/27/59/218342759.db2.gz PNYWYVHVUJOUIW-UHFFFAOYSA-N 1 0 328.464 2.238 40 30 EEEBRO N#Cc1cccc(N[C@H]2CO[C@]3(CC[N@H+](Cc4cccnc4)C3)C2)n1 ZINC000096047680 463151131 /nfs/dbraw/zinc/15/11/31/463151131.db2.gz HCNZCQCOJCSWJV-IEBWSBKVSA-N 1 0 335.411 2.194 40 30 EEEBRO C=CCN1C(=O)COC2(CC[NH+](Cc3c(C)noc3C)CC2)[C@@H]1C ZINC000096201542 463207169 /nfs/dbraw/zinc/20/71/69/463207169.db2.gz JTDBYZMGIGQWAX-HNNXBMFYSA-N 1 0 333.432 2.059 40 30 EEEBRO CC[NH+]=C(NCc1sc(C)nc1C)NCc1cccc(N(C)C)n1 ZINC000195545741 464074499 /nfs/dbraw/zinc/07/44/99/464074499.db2.gz GMXAYOGDLCFXHX-UHFFFAOYSA-N 1 0 346.504 2.476 40 30 EEEBRO CCS(=O)(=O)N1CCC([NH2+][C@H](C)c2ccc(C#N)cc2F)CC1 ZINC000195557222 464076144 /nfs/dbraw/zinc/07/61/44/464076144.db2.gz UTSPCFSMSDXZLR-GFCCVEGCSA-N 1 0 339.436 2.162 40 30 EEEBRO CC[NH+]1CCN(c2c(N)cc(C#N)n2Cc2ccccc2F)CC1 ZINC000225869928 464182461 /nfs/dbraw/zinc/18/24/61/464182461.db2.gz GKUXWJYUYVXEDQ-UHFFFAOYSA-N 1 0 327.407 2.271 40 30 EEEBRO C=CC[C@@H](C)[C@H](C)[NH2+]C1CCN(S(=O)(=O)C2CCOCC2)CC1 ZINC000090035653 519095023 /nfs/dbraw/zinc/09/50/23/519095023.db2.gz BHNWZEXUGSDARL-CABCVRRESA-N 1 0 344.521 2.150 40 30 EEEBRO C#CC[NH+]1CCC(C(=O)NCc2cc(OC)nc3ccccc23)CC1 ZINC000096425939 463255353 /nfs/dbraw/zinc/25/53/53/463255353.db2.gz HGZWZQRYHBKXRM-UHFFFAOYSA-N 1 0 337.423 2.205 40 30 EEEBRO N#CC1(CS(=O)(=O)NC2CC[NH+](C3CCCC3)CC2)CCCC1 ZINC000329520461 465360429 /nfs/dbraw/zinc/36/04/29/465360429.db2.gz OJYGSVCLCDXTHH-UHFFFAOYSA-N 1 0 339.505 2.397 40 30 EEEBRO CC(C)(CO)[NH2+]C[C@@H](O)CON=C1c2ccccc2-c2ccccc21 ZINC000002707481 1349963070 /nfs/dbraw/zinc/96/30/70/1349963070.db2.gz AJOYMMGQJQLABI-CQSZACIVSA-N 1 0 340.423 2.157 40 30 EEEBRO C=C(C)C[NH+]1CCC(NC(=O)NCCc2cn3c(n2)CCCC3)CC1 ZINC000078602449 217083933 /nfs/dbraw/zinc/08/39/33/217083933.db2.gz XWVCWRYYLIOPMI-UHFFFAOYSA-N 1 0 345.491 2.102 40 30 EEEBRO C#CC[NH+]1CCC(C(=O)N[C@H](C)c2cc(OC)c(OC)cc2F)CC1 ZINC000074610480 462617224 /nfs/dbraw/zinc/61/72/24/462617224.db2.gz JPBKTVSKAPOEJL-CYBMUJFWSA-N 1 0 348.418 2.365 40 30 EEEBRO CC[NH+]=C(NC1CC1)N[C@H]1CCN(c2cc(OC)cc(OC)c2)C1 ZINC000083521679 463548099 /nfs/dbraw/zinc/54/80/99/463548099.db2.gz DYUWTCIVNFTQDQ-AWEZNQCLSA-N 1 0 332.448 2.000 40 30 EEEBRO C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc[nH]1 ZINC000024081613 202112877 /nfs/dbraw/zinc/11/28/77/202112877.db2.gz WAJSCGAPKUICON-MRXNPFEDSA-N 1 0 339.395 2.155 40 30 EEEBRO N#Cc1cccc(N2C[C@]3(CC[N@@H+](C4CCOCC4)C3)CC2=O)c1 ZINC000096238914 283209903 /nfs/dbraw/zinc/20/99/03/283209903.db2.gz GHUFELHTIRIONX-LJQANCHMSA-N 1 0 325.412 2.166 40 30 EEEBRO CC(C)[C@H](C#N)N1CCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC000073232203 202368952 /nfs/dbraw/zinc/36/89/52/202368952.db2.gz LOFLBDWBXSHFBA-SFHVURJKSA-N 1 0 328.460 2.054 40 30 EEEBRO CC[C@]1(C)C[C@@]2(CCC[N@H+](CC#CCN3CCOCC3)C2)CCO1 ZINC000004764456 462637215 /nfs/dbraw/zinc/63/72/15/462637215.db2.gz QCWLWXCLQMWJSW-WOJBJXKFSA-N 1 0 334.504 2.383 40 30 EEEBRO N#Cc1cccc(N[C@@H]2CO[C@]3(CC[N@H+](Cc4cccnc4)C3)C2)n1 ZINC000096047681 463151457 /nfs/dbraw/zinc/15/14/57/463151457.db2.gz HCNZCQCOJCSWJV-PKOBYXMFSA-N 1 0 335.411 2.194 40 30 EEEBRO CC[NH+]=C(NC1CC1)N[C@@H]1CCN(c2cc(OC)cc(OC)c2)C1 ZINC000083521676 463548138 /nfs/dbraw/zinc/54/81/38/463548138.db2.gz DYUWTCIVNFTQDQ-CQSZACIVSA-N 1 0 332.448 2.000 40 30 EEEBRO [NH2+]=C(NC[C@H]1CC(=O)N(CCc2ccccc2)C1)N1CCCCCC1 ZINC000195540022 464073708 /nfs/dbraw/zinc/07/37/08/464073708.db2.gz KGWITVYUOIDUEP-GOSISDBHSA-N 1 0 342.487 2.268 40 30 EEEBRO CN(C(=[NH2+])NC[C@@H](c1cccc(Cl)c1)N1CCOCC1)C1CC1 ZINC000241383531 464452147 /nfs/dbraw/zinc/45/21/47/464452147.db2.gz MWBXYXBPJYFLEP-INIZCTEOSA-N 1 0 336.867 2.122 40 30 EEEBRO Cc1n(CCO)c([N+](=O)[O-])c[n+]1CC(=O)c1cccc2ccccc21 ZINC000027529724 202156597 /nfs/dbraw/zinc/15/65/97/202156597.db2.gz HOLXLRGFSPACMO-UHFFFAOYSA-N 1 0 340.359 2.021 40 30 EEEBRO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000195530442 290219074 /nfs/dbraw/zinc/21/90/74/290219074.db2.gz LVVFCECIBYUMAR-CRAIPNDOSA-N 1 0 327.428 2.190 40 30 EEEBRO C[NH+]=C(NCCNC(=O)C(C)C)N(C)Cc1ccc(Cl)s1 ZINC000096406306 463239100 /nfs/dbraw/zinc/23/91/00/463239100.db2.gz HXIPXYWJKJLKKC-UHFFFAOYSA-N 1 0 330.885 2.181 40 30 EEEBRO Cc1cc(F)cc2c1ncc(C#N)c2NC[C@@H]1C[N@@H+](C)CCN1C ZINC000096429466 463258991 /nfs/dbraw/zinc/25/89/91/463258991.db2.gz USPIFRNDQDKLHQ-OAHLLOKOSA-N 1 0 327.407 2.212 40 30 EEEBRO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCc3ccccc3C2)c(F)c1 ZINC000195545865 464074870 /nfs/dbraw/zinc/07/48/70/464074870.db2.gz JDASMNASNYZSKT-QGZVFWFLSA-N 1 0 326.371 2.495 40 30 EEEBRO CC[NH+]=C(NCc1ccon1)N[C@H](C)c1cccc(-n2cncn2)c1 ZINC000096462456 528818184 /nfs/dbraw/zinc/81/81/84/528818184.db2.gz AWZQBUVDIPSTSB-CYBMUJFWSA-N 1 0 339.403 2.072 40 30 EEEBRO C[NH+](C)[C@@H]1CCOC2(CCN(C(=O)c3cccc(C#N)c3)CC2)C1 ZINC000108536331 204267782 /nfs/dbraw/zinc/26/77/82/204267782.db2.gz IWPBRZCNRJRZAI-QGZVFWFLSA-N 1 0 327.428 2.274 40 30 EEEBRO C=CC[N@@H+]1C[C@@H]2CN(Cc3cccnc3)CCC[C@]2(C(=O)OCC)C1 ZINC000096055979 463158139 /nfs/dbraw/zinc/15/81/39/463158139.db2.gz AWDLPGATYJIXRZ-ICSRJNTNSA-N 1 0 343.471 2.345 40 30 EEEBRO CC[NH+](CC)[C@@H]1CN(C(=O)c2ccc(C#N)cc2)[C@@H]2CCCO[C@H]12 ZINC000096185783 463197722 /nfs/dbraw/zinc/19/77/22/463197722.db2.gz ZPSYDGPWHCTPNE-KURKYZTESA-N 1 0 327.428 2.272 40 30 EEEBRO N#Cc1cccc(N2C[C@@]3(CC[N@@H+](C4CCOCC4)C3)CC2=O)c1 ZINC000096238913 463224225 /nfs/dbraw/zinc/22/42/25/463224225.db2.gz GHUFELHTIRIONX-IBGZPJMESA-N 1 0 325.412 2.166 40 30 EEEBRO C[NH+]=C(NCc1nc(C2CC2)no1)N(C)C[C@H](C)c1nccs1 ZINC000195564472 464077534 /nfs/dbraw/zinc/07/75/34/464077534.db2.gz LJTXHRFETABORP-JTQLQIEISA-N 1 0 334.449 2.214 40 30 EEEBRO CC(=O)Nc1ccc(CC(=[NH2+])NOC(=O)c2ccc(F)cc2)cc1 ZINC000226102676 242089423 /nfs/dbraw/zinc/08/94/23/242089423.db2.gz ZUJJDGUNRLURMH-UHFFFAOYSA-N 1 0 329.331 2.456 40 30 EEEBRO Cc1ccc(Cl)cc1NC(=[NH2+])Nc1nc(C)c(CC#N)c(=O)[nH]1 ZINC000020555623 212147099 /nfs/dbraw/zinc/14/70/99/212147099.db2.gz MLNLITQBOXQXDB-UHFFFAOYSA-N 1 0 330.779 2.165 40 30 EEEBRO N#CC1(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CCOCC1 ZINC000096406423 463240584 /nfs/dbraw/zinc/24/05/84/463240584.db2.gz UAYBDRPMNHIJQD-QGZVFWFLSA-N 1 0 327.428 2.088 40 30 EEEBRO CC[NH+]=C(NCCSc1ccccc1F)NCc1noc(C)n1 ZINC000088927306 462650015 /nfs/dbraw/zinc/65/00/15/462650015.db2.gz XANQHLQBXFNLDE-UHFFFAOYSA-N 1 0 337.424 2.365 40 30 EEEBRO C[NH+]=C(NCCn1cc(C)cn1)NC1CCN(c2ccccc2)CC1 ZINC000131575224 462816616 /nfs/dbraw/zinc/81/66/16/462816616.db2.gz NKOZDHRORIJNCP-UHFFFAOYSA-N 1 0 340.475 2.026 40 30 EEEBRO C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[C@H]2Oc2ccccc2)CC1 ZINC000079033095 463181701 /nfs/dbraw/zinc/18/17/01/463181701.db2.gz YWSROZCESXQPFZ-RTBURBONSA-N 1 0 326.440 2.448 40 30 EEEBRO C[C@@]1(CNC(NCc2nc(C3CC3)no2)=[NH+]C2CCCC2)CCCO1 ZINC000195564443 464077024 /nfs/dbraw/zinc/07/70/24/464077024.db2.gz YVXNMMUYDTYBHS-SFHVURJKSA-N 1 0 347.463 2.494 40 30 EEEBRO CN(C(=O)c1cc(C#N)c[nH]1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000177789905 231990088 /nfs/dbraw/zinc/99/00/88/231990088.db2.gz MZAHQHSKMQUVAI-UHFFFAOYSA-N 1 0 337.427 2.060 40 30 EEEBRO N#Cc1nc(/C=C/c2cccc([N+](=O)[O-])c2)oc1N1CC[NH2+]CC1 ZINC000036629051 202328209 /nfs/dbraw/zinc/32/82/09/202328209.db2.gz KMWQOWKTRRSSSX-SNAWJCMRSA-N 1 0 325.328 2.034 40 30 EEEBRO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000096411336 290218778 /nfs/dbraw/zinc/21/87/78/290218778.db2.gz LVVFCECIBYUMAR-QAPCUYQASA-N 1 0 327.428 2.190 40 30 EEEBRO C[C@@H]([NH2+]CCNS(=O)(=O)c1ccccc1)c1cccc(C#N)c1 ZINC000096491488 463286695 /nfs/dbraw/zinc/28/66/95/463286695.db2.gz PGPFGMYJCRQNJG-CQSZACIVSA-N 1 0 329.425 2.187 40 30 EEEBRO CN(C(=[NH2+])NCCS(=O)(=O)c1ccc(C(C)(C)C)cc1)C1CC1 ZINC000195559348 241009112 /nfs/dbraw/zinc/00/91/12/241009112.db2.gz LAQWLKIGAOWRDF-UHFFFAOYSA-N 1 0 337.489 2.167 40 30 EEEBRO CN(C)c1cc[n+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000004309957 205697913 /nfs/dbraw/zinc/69/79/13/205697913.db2.gz DIPVJYBBTNWXDB-UHFFFAOYSA-O 1 0 335.771 2.240 40 30 EEEBRO C[N@@H+]1CC[C@H](NC(=O)Nc2ccn(CCC#N)n2)[C@@H]1c1ccccc1 ZINC000189660909 277168014 /nfs/dbraw/zinc/16/80/14/277168014.db2.gz LCHUWWUVQXOPHC-RDJZCZTQSA-N 1 0 338.415 2.364 40 30 EEEBRO N#Cc1cccc(C[N@H+]2CCc3ncc(Cn4cccn4)n3CC2)c1 ZINC000096196940 463202394 /nfs/dbraw/zinc/20/23/94/463202394.db2.gz QFKQOGYPQDSJNV-UHFFFAOYSA-N 1 0 332.411 2.058 40 30 EEEBRO CN(C)c1ccc(C=NNC(=S)N[C@@H]2C[NH+]3CCC2CC3)cc1 ZINC000056683661 463416756 /nfs/dbraw/zinc/41/67/56/463416756.db2.gz LSIKPZPOJVHLHG-CJMVGXJBSA-N 1 0 331.489 2.056 40 30 EEEBRO COc1cc(C[N@@H+]2CC[C@H](Nc3nccnc3C#N)C2)cc(OC)c1 ZINC000088751440 462643590 /nfs/dbraw/zinc/64/35/90/462643590.db2.gz ZXBLVXHXGKBDNA-AWEZNQCLSA-N 1 0 339.399 2.052 40 30 EEEBRO C[C@@H]1CCN(S(=O)(=O)CCCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000096433537 463262147 /nfs/dbraw/zinc/26/21/47/463262147.db2.gz JKLVHXHRKXQDHY-MRXNPFEDSA-N 1 0 335.473 2.216 40 30 EEEBRO Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1C=NNC(N)=[NH2+] ZINC000057460826 463492227 /nfs/dbraw/zinc/49/22/27/463492227.db2.gz CNARAXMKXGALIF-CGOBSMCZSA-N 1 0 344.728 2.460 40 30 EEEBRO CNC(N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)=[NH+]C ZINC000195546220 464074508 /nfs/dbraw/zinc/07/45/08/464074508.db2.gz FROWYBBHAVLMJL-SECBINFHSA-N 1 0 335.761 2.127 40 30 EEEBRO Cc1cccc(NC(=[NH2+])Nc2nc(C)c(CC#N)c(=O)[nH]2)c1Cl ZINC000020503618 212140930 /nfs/dbraw/zinc/14/09/30/212140930.db2.gz PKYLMRAHZMAEAK-UHFFFAOYSA-N 1 0 330.779 2.165 40 30 EEEBRO CC(C)C[NH+]=C(NCc1nc(C2CC2)no1)N[C@@H]1CCO[C@H](C)C1 ZINC000195564464 464077653 /nfs/dbraw/zinc/07/76/53/464077653.db2.gz OZVWQDXWEQUYFR-TZMCWYRMSA-N 1 0 335.452 2.206 40 30 EEEBRO C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000253421235 465009184 /nfs/dbraw/zinc/00/91/84/465009184.db2.gz SJMFPCANFRRJKB-NXWXRZEISA-N 1 0 343.471 2.389 40 30 EEEBRO Cc1nnsc1CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000330222256 465574640 /nfs/dbraw/zinc/57/46/40/465574640.db2.gz MFVAQYQVOMSIJD-GXTWGEPZSA-N 1 0 335.477 2.209 40 30 EEEBRO N#Cc1cccc(N[C@@H]2CO[C@]3(CC[N@H+](CC4CCOCC4)C3)C2)n1 ZINC000096047701 463152163 /nfs/dbraw/zinc/15/21/63/463152163.db2.gz BQLAIDRJUWJSRV-PKOBYXMFSA-N 1 0 342.443 2.025 40 30 EEEBRO CC[NH+](CC)CC#C[C@@H](C)OC(=O)c1cccc(-n2cncn2)c1 ZINC000096482980 463281103 /nfs/dbraw/zinc/28/11/03/463281103.db2.gz HEALUOONKAJBGO-OAHLLOKOSA-N 1 0 326.400 2.158 40 30 EEEBRO C#CCN(C)Cc1nc(C2(O)CC[NH+](C3CCCC3)CC2)cs1 ZINC000225469502 464162072 /nfs/dbraw/zinc/16/20/72/464162072.db2.gz WYKGDKGCWKUVBU-UHFFFAOYSA-N 1 0 333.501 2.434 40 30 biogenic,in-vitro EEEBRO CC(C)(C#N)c1ccccc1C[N@@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000095425728 463082315 /nfs/dbraw/zinc/08/23/15/463082315.db2.gz BEVLVGUQCAKCKU-INIZCTEOSA-N 1 0 326.444 2.477 40 30 EEEBRO C[NH+](C)CC(C)(C)CNC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000096418145 463250719 /nfs/dbraw/zinc/25/07/19/463250719.db2.gz XTSLUWDGUASLGF-UHFFFAOYSA-N 1 0 344.459 2.130 40 30 EEEBRO CN(C)C(=[NH2+])NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000170910571 463739936 /nfs/dbraw/zinc/73/99/36/463739936.db2.gz UFZGQJXMWLTZRT-LLVKDONJSA-N 1 0 325.254 2.152 40 30 EEEBRO COc1c(Br)cccc1CC[NH+]=C(N(C)C)N(C)C ZINC000195546356 464074760 /nfs/dbraw/zinc/07/47/60/464074760.db2.gz WMHIZVIFIPYSDM-UHFFFAOYSA-N 1 0 328.254 2.479 40 30 EEEBRO C[NH+]1CCN(c2c(N)cc(C#N)n2Cc2ccccc2Cl)CC1 ZINC000225869278 464181735 /nfs/dbraw/zinc/18/17/35/464181735.db2.gz YJZFIZVUQIPERU-UHFFFAOYSA-N 1 0 329.835 2.395 40 30 EEEBRO C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000253421237 465009546 /nfs/dbraw/zinc/00/95/46/465009546.db2.gz SJMFPCANFRRJKB-OQIJWPOYSA-N 1 0 343.471 2.389 40 30 EEEBRO Cc1n(CCO)c([N+](=O)[O-])c[n+]1[C@H](C)C(=O)c1ccc(Cl)cc1 ZINC000011566403 274833513 /nfs/dbraw/zinc/83/35/13/274833513.db2.gz WPGNMTRQAXVQPE-SNVBAGLBSA-N 1 0 338.771 2.082 40 30 EEEBRO C#CC[NH+]1CCC(C(=O)N[C@@H](C)c2cc(OC)c(OC)cc2F)CC1 ZINC000074610478 462617433 /nfs/dbraw/zinc/61/74/33/462617433.db2.gz JPBKTVSKAPOEJL-ZDUSSCGKSA-N 1 0 348.418 2.365 40 30 EEEBRO Cc1ccc(C[N@@H+]2C[C@@H]3COC[C@]3(COc3ccc(C#N)cn3)C2)o1 ZINC000096109096 463178752 /nfs/dbraw/zinc/17/87/52/463178752.db2.gz HKCIZNPVDXNWHE-APWZRJJASA-N 1 0 339.395 2.382 40 30 EEEBRO Cn1cncc1C[N@@H+]1CC[C@]2(C[C@H](Nc3cccc(C#N)c3)CO2)C1 ZINC000096218880 463215877 /nfs/dbraw/zinc/21/58/77/463215877.db2.gz QMEPEBBTVBUHJS-HKUYNNGSSA-N 1 0 337.427 2.137 40 30 EEEBRO C[NH+]=C(NCc1nccn1C)N(C)CCOc1ccc(Cl)cc1 ZINC000073783792 463655363 /nfs/dbraw/zinc/65/53/63/463655363.db2.gz TVWKRBRXVBLNKS-UHFFFAOYSA-N 1 0 335.839 2.160 40 30 EEEBRO C[NH+]=C(NCc1nc(C)c(C)s1)NC[C@H]1COc2ccccc2O1 ZINC000095407698 218343669 /nfs/dbraw/zinc/34/36/69/218343669.db2.gz GSLYMDFORWSORU-ZDUSSCGKSA-N 1 0 346.456 2.265 40 30 EEEBRO C=C1CC[NH+]([C@H](C)[C@@](O)(Cn2cncn2)c2ccc(F)cc2F)CC1 ZINC000006494252 462687060 /nfs/dbraw/zinc/68/70/60/462687060.db2.gz NFEZZTICAUWDHU-KDOFPFPSSA-N 1 0 348.397 2.485 40 30 EEEBRO C=CCn1c(=O)ccc2c1CC[N@H+](Cc1ccc3c(c1)OCO3)CC2 ZINC000096196667 463201842 /nfs/dbraw/zinc/20/18/42/463201842.db2.gz VJHUPPQOVKXVGL-UHFFFAOYSA-N 1 0 338.407 2.364 40 30 EEEBRO C#CCn1cc(C[N@H+](C)CC2CCN(C(=O)C(C)(C)C)CC2)cn1 ZINC000160273615 463324969 /nfs/dbraw/zinc/32/49/69/463324969.db2.gz ZLVLDOXBMKFLJP-UHFFFAOYSA-N 1 0 330.476 2.233 40 30 EEEBRO N#Cc1ccc(N2CCC([NH2+]C3CCC4(CC3)OCCO4)CC2)nc1 ZINC000161418214 463430117 /nfs/dbraw/zinc/43/01/17/463430117.db2.gz JTLHIOVTUFGBHT-UHFFFAOYSA-N 1 0 342.443 2.197 40 30 EEEBRO N#Cc1nc(/C=C/c2ccc([N+](=O)[O-])cc2)oc1N1CC[NH2+]CC1 ZINC000036628754 463437385 /nfs/dbraw/zinc/43/73/85/463437385.db2.gz FTVFZQOASAMFDI-ZZXKWVIFSA-N 1 0 325.328 2.034 40 30 EEEBRO C[C@]1(CNC(NCc2nc(C3CC3)no2)=[NH+]C2CCCC2)CCCO1 ZINC000195564445 464077706 /nfs/dbraw/zinc/07/77/06/464077706.db2.gz YVXNMMUYDTYBHS-GOSISDBHSA-N 1 0 347.463 2.494 40 30 EEEBRO CC(C)(CO)[NH2+]C[C@H](O)CON=C1c2ccccc2-c2ccccc21 ZINC000002707479 1349963307 /nfs/dbraw/zinc/96/33/07/1349963307.db2.gz AJOYMMGQJQLABI-AWEZNQCLSA-N 1 0 340.423 2.157 40 30 EEEBRO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000195530441 287130894 /nfs/dbraw/zinc/13/08/94/287130894.db2.gz LVVFCECIBYUMAR-MAUKXSAKSA-N 1 0 327.428 2.190 40 30 EEEBRO C=CC[N@@H+]1C[C@@H]2CN(Cc3ccccn3)CCC[C@]2(C(=O)OCC)C1 ZINC000096055978 463158667 /nfs/dbraw/zinc/15/86/67/463158667.db2.gz OONHENHSDADNQW-PXNSSMCTSA-N 1 0 343.471 2.345 40 30 EEEBRO Cc1nn(-c2ccccc2)cc1CCCNC(=[NH2+])N1CCSCC1 ZINC000097212310 463349071 /nfs/dbraw/zinc/34/90/71/463349071.db2.gz CLPCXDCFJJWUDY-UHFFFAOYSA-N 1 0 343.500 2.477 40 30 EEEBRO N#Cc1cccc(N[C@H]2CO[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC000107728731 463579932 /nfs/dbraw/zinc/57/99/32/463579932.db2.gz QSNYGAQTCLOBFJ-IEBWSBKVSA-N 1 0 335.411 2.194 40 30 EEEBRO COc1ccc(C=NNC(=S)N[C@@H]2C[NH+]3CCC2CC3)cc1OC ZINC000035404451 213025683 /nfs/dbraw/zinc/02/56/83/213025683.db2.gz NGOICTBZSSOOAK-FNHQQPGVSA-N 1 0 348.472 2.007 40 30 EEEBRO CN(C)C(=[NH2+])NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000170914552 288929030 /nfs/dbraw/zinc/92/90/30/288929030.db2.gz FPGJEWQJETYVIU-UHFFFAOYSA-N 1 0 340.265 2.374 40 30 EEEBRO C=CCN1CCN(C)C2(CC[NH+](Cc3ccc(C)s3)CC2)C1=O ZINC000096050059 463153615 /nfs/dbraw/zinc/15/36/15/463153615.db2.gz BCEYZLNWWWHXBF-UHFFFAOYSA-N 1 0 333.501 2.351 40 30 EEEBRO C=CC[N@@H+]1CCO[C@@H]2CN(c3cc(C(F)(F)F)ncn3)CC[C@@H]2C1 ZINC000096249629 463226713 /nfs/dbraw/zinc/22/67/13/463226713.db2.gz UHDKEIQRTQLZFL-CHWSQXEVSA-N 1 0 342.365 2.209 40 30 EEEBRO C(NC(NC[C@H]1CCCCO1)=[NH+]C1CCCC1)c1nc(C2CC2)no1 ZINC000195564384 464076963 /nfs/dbraw/zinc/07/69/63/464076963.db2.gz GGJOVFBCCPORFZ-OAHLLOKOSA-N 1 0 347.463 2.494 40 30 EEEBRO C#CCNC(=O)c1ccc(NCc2ccccc2-n2ccnc2)nc1 ZINC000195575631 464080083 /nfs/dbraw/zinc/08/00/83/464080083.db2.gz SJYHHAALEPOPQW-UHFFFAOYSA-N 1 0 331.379 2.242 40 30 EEEBRO CCC[NH+](CCC)C[C@H]1CN(/N=C/c2ccc([N+](=O)[O-])o2)C(=O)O1 ZINC000001684426 521647906 /nfs/dbraw/zinc/64/79/06/521647906.db2.gz NHHQAESAQPUBLU-WFSQQTBHSA-N 1 0 338.364 2.465 40 30 EEEBRO C=CC[N@H+]1CCC[C@@]2(CC1)CN(C(=O)COC)Cc1ccccc1O2 ZINC000012365581 462851677 /nfs/dbraw/zinc/85/16/77/462851677.db2.gz OAJDJGOHFPOEMT-HXUWFJFHSA-N 1 0 344.455 2.465 40 30 EEEBRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)Cc2c(C)nn(C)c2C)CC1 ZINC000096439940 463265930 /nfs/dbraw/zinc/26/59/30/463265930.db2.gz WJTCBMGRNDIOEZ-AWEZNQCLSA-N 1 0 347.507 2.308 40 30 EEEBRO C[NH+]=C(NC[C@H]1CCOC1)N(C)Cc1ccc(Br)cc1 ZINC000195530273 464072335 /nfs/dbraw/zinc/07/23/35/464072335.db2.gz XKRHIZBLGBFTKO-CYBMUJFWSA-N 1 0 340.265 2.493 40 30 EEEBRO CC[NH+]=C(NCc1ncnn1C)NCC1(Sc2ccccc2)CC1 ZINC000086665977 520204588 /nfs/dbraw/zinc/20/45/88/520204588.db2.gz NURCFUHKZOJWDL-UHFFFAOYSA-N 1 0 344.488 2.195 40 30 EEEBRO CN(C(=[NH2+])NC[C@@H](c1ccc(Cl)cc1)N1CCOCC1)C1CC1 ZINC000252483953 288773015 /nfs/dbraw/zinc/77/30/15/288773015.db2.gz FLHXNKINIYNSOY-INIZCTEOSA-N 1 0 336.867 2.122 40 30 EEEBRO C=CCN1CC2(CC[NH+](Cc3ccc(OC)cc3)CC2)OCC1=O ZINC000096062138 463161839 /nfs/dbraw/zinc/16/18/39/463161839.db2.gz RGRPGIWNRRJZFC-UHFFFAOYSA-N 1 0 330.428 2.075 40 30 EEEBRO C=CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCO3)CC[C@@]2(c2ccccc2)C1 ZINC000248170349 464737278 /nfs/dbraw/zinc/73/72/78/464737278.db2.gz RPRCGOWIULOATA-SBHAEUEKSA-N 1 0 340.467 2.454 40 30 EEEBRO CC(C)[NH+]1CCN(CCCN2CCC[C@]3(CCCCO3)[C@@H]2C#N)CC1 ZINC000253398326 465001695 /nfs/dbraw/zinc/00/16/95/465001695.db2.gz JUVWKWQPYTZJFB-VQTJNVASSA-N 1 0 348.535 2.330 40 30 EEEBRO CC[NH+](CC)C[C@@H]1CN(C(=O)c2cccc(C#N)c2)Cc2ccnn21 ZINC000575406435 468142890 /nfs/dbraw/zinc/14/28/90/468142890.db2.gz PLGAVMDDUNSLEI-GOSISDBHSA-N 1 0 337.427 2.294 40 30 EEEBRO C=CC[N@@H+]1CC[C@@H]2OC[C@H](C(=O)NCCc3cccs3)C[C@@H]2C1 ZINC000096042675 463147747 /nfs/dbraw/zinc/14/77/47/463147747.db2.gz AVMHQXLEQJXXEN-INMHGKMJSA-N 1 0 334.485 2.320 40 30 EEEBRO Cn1cc(C[N@@H+]2CC[C@@]3(C[C@H](Nc4cccc(C#N)c4)CO3)C2)cn1 ZINC000096218873 463216382 /nfs/dbraw/zinc/21/63/82/463216382.db2.gz DYIABHPWKCEFNE-RBUKOAKNSA-N 1 0 337.427 2.137 40 30 EEEBRO N#Cc1cc(NC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)ccc1F ZINC000096411843 463244745 /nfs/dbraw/zinc/24/47/45/463244745.db2.gz JSQRRLKHVAURRX-CQSZACIVSA-N 1 0 346.406 2.273 40 30 EEEBRO N#Cc1cccc(N[C@H]2CO[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC000107728739 463579976 /nfs/dbraw/zinc/57/99/76/463579976.db2.gz QSNYGAQTCLOBFJ-MJGOQNOKSA-N 1 0 335.411 2.194 40 30 EEEBRO N#Cc1cccc(N[C@@H]2CO[C@]3(CC[N@H+](Cc4ccncc4)C3)C2)n1 ZINC000096047685 463152219 /nfs/dbraw/zinc/15/22/19/463152219.db2.gz UTBCJBAQCXVQNV-PKOBYXMFSA-N 1 0 335.411 2.194 40 30 EEEBRO N#C[C@@H](C(=O)c1ccnc(-n2ccnc2)c1)c1nnc2n1CCCCC2 ZINC000187225725 464107752 /nfs/dbraw/zinc/10/77/52/464107752.db2.gz WUELUROYCZGGLG-AWEZNQCLSA-N 1 0 347.382 2.075 40 30 EEEBRO CN(C1CC[NH+](Cc2ccccc2C(C)(C)C#N)CC1)S(C)(=O)=O ZINC000096480651 463281156 /nfs/dbraw/zinc/28/11/56/463281156.db2.gz YPOBWUXYFIEPMX-UHFFFAOYSA-N 1 0 349.500 2.344 40 30 EEEBRO CCCC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)c1ccc(C#N)cc1 ZINC000058180490 463549073 /nfs/dbraw/zinc/54/90/73/463549073.db2.gz HTZYGKNDHFYSAL-MRXNPFEDSA-N 1 0 335.473 2.491 40 30 EEEBRO CC(C)(O)C[N@H+](C1CC1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192795556 464998827 /nfs/dbraw/zinc/99/88/27/464998827.db2.gz MFELCGSKCAZVTG-QGZVFWFLSA-N 1 0 327.428 2.289 40 30 EEEBRO C#CC(C)(C)OC[C@@H](O)C[N+]1(Cc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000226071913 532987898 /nfs/dbraw/zinc/98/78/98/532987898.db2.gz NNDZOKDWEVFNAL-SFHVURJKSA-N 1 0 347.435 2.495 40 30 EEEBRO Cc1noc([C@H](C)NC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)n1 ZINC000328884768 465157046 /nfs/dbraw/zinc/15/70/46/465157046.db2.gz MZZKLFAUGWTCGL-GLQYFDAESA-N 1 0 329.404 2.388 40 30 EEEBRO N#Cc1ccc(N2C[C@]3(CC[N@@H+](C4CCOCC4)C3)CC2=O)cc1 ZINC000096077459 283172326 /nfs/dbraw/zinc/17/23/26/283172326.db2.gz OOSWRDHFGRRXQT-LJQANCHMSA-N 1 0 325.412 2.166 40 30 EEEBRO CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C#Cc1ccccc1 ZINC000188087930 464196303 /nfs/dbraw/zinc/19/63/03/464196303.db2.gz SZKIXHZJJBDAFG-QFIPXVFZSA-N 1 0 348.446 2.134 40 30 EEEBRO Cc1nccc(NC(=O)NC2CC[NH+](Cc3ccccn3)CC2)n1 ZINC000330154105 465552189 /nfs/dbraw/zinc/55/21/89/465552189.db2.gz NGFSNLHVGYNRSE-UHFFFAOYSA-N 1 0 326.404 2.171 40 30 EEEBRO CC[NH+]=C(NCc1ccon1)N[C@@H]1CCN(c2ccc(F)cc2F)C1 ZINC000095410942 218348072 /nfs/dbraw/zinc/34/80/72/218348072.db2.gz DQGGTLYMJWXDLN-CQSZACIVSA-N 1 0 349.385 2.287 40 30 EEEBRO N#Cc1ccccc1CN1Cc2ccnn2C[C@@H](C[NH+]2CCCC2)C1 ZINC000306124220 269974165 /nfs/dbraw/zinc/97/41/65/269974165.db2.gz BJSSSRBYBQVKCL-KRWDZBQOSA-N 1 0 335.455 2.483 40 30 EEEBRO C[NH+]=C(NCC1(C(=O)N(C)C)CCCC1)N[C@@H](C)c1ccc(C)o1 ZINC000088880398 462649953 /nfs/dbraw/zinc/64/99/53/462649953.db2.gz PBOCOPCAELXREP-AWEZNQCLSA-N 1 0 334.464 2.463 40 30 EEEBRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C)Cc2c(C)nn(C)c2C)CC1 ZINC000096439939 463265919 /nfs/dbraw/zinc/26/59/19/463265919.db2.gz WJTCBMGRNDIOEZ-CQSZACIVSA-N 1 0 347.507 2.308 40 30 EEEBRO C1=CCC(NC(NCc2nc(C3CC3)no2)=[NH+]C[C@@H]2CCCCO2)C1 ZINC000195564451 464077586 /nfs/dbraw/zinc/07/75/86/464077586.db2.gz YYBAMZZQXXKUGY-HNNXBMFYSA-N 1 0 345.447 2.270 40 30 EEEBRO N#Cc1cccc(OC[C@@H]2CO[C@@H]3C[N@@H+](C4CCOCC4)C[C@H]23)c1 ZINC000096217200 218691832 /nfs/dbraw/zinc/69/18/32/218691832.db2.gz VFWRQANCKRDCTE-ATZDWAIDSA-N 1 0 328.412 2.063 40 30 EEEBRO Cc1noc([C@H](C)NC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)n1 ZINC000328884770 465156627 /nfs/dbraw/zinc/15/66/27/465156627.db2.gz MZZKLFAUGWTCGL-NILFDRSVSA-N 1 0 329.404 2.388 40 30 EEEBRO N#Cc1cccc(N[C@H]2CO[C@]3(CC[N@H+](CC4CCOCC4)C3)C2)n1 ZINC000096047700 463151505 /nfs/dbraw/zinc/15/15/05/463151505.db2.gz BQLAIDRJUWJSRV-IEBWSBKVSA-N 1 0 342.443 2.025 40 30 EEEBRO C=CC[N@@H+]1C[C@@H]2CN(Cc3nccs3)CCC[C@]2(C(=O)OCC)C1 ZINC000096055973 463157849 /nfs/dbraw/zinc/15/78/49/463157849.db2.gz CRARUJZNIPFDSC-YJBOKZPZSA-N 1 0 349.500 2.406 40 30 EEEBRO CC[NH+]1CCN(c2ccc(NC(=O)C(F)(F)F)cc2C#N)CC1 ZINC000226280329 464183091 /nfs/dbraw/zinc/18/30/91/464183091.db2.gz HIOKQAVHHFSBLZ-UHFFFAOYSA-N 1 0 326.322 2.201 40 30 EEEBRO N#CCCCC[NH+]1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000079035338 217178625 /nfs/dbraw/zinc/17/86/25/217178625.db2.gz YBVILTMUGBYOMH-GOSISDBHSA-N 1 0 326.444 2.103 40 30 EEEBRO C[N@@H+]1[C@@H](Cn2cccn2)C[C@@H]2CN(Cc3cccc(C#N)c3)CC[C@@H]21 ZINC000096064418 463163246 /nfs/dbraw/zinc/16/32/46/463163246.db2.gz KRXAPZHBFLJRQU-AQNXPRMDSA-N 1 0 335.455 2.350 40 30 EEEBRO C=CCN1CC[C@]2(C[N@@H+]([C@@H]3CCOC3)C[C@H]2c2ccccc2)C1=O ZINC000096201900 463207475 /nfs/dbraw/zinc/20/74/75/463207475.db2.gz HOJMSNCSGAGBQM-WSTZPKSXSA-N 1 0 326.440 2.279 40 30 EEEBRO C[NH+]=C(NCc1ccon1)N[C@H]1CCCN(c2cc(C)ccc2F)C1 ZINC000096462461 463277693 /nfs/dbraw/zinc/27/76/93/463277693.db2.gz PKICULADOIPRPK-HNNXBMFYSA-N 1 0 345.422 2.456 40 30 EEEBRO CC[NH+]=C(NCCc1nc(C)cs1)NCc1cccc(N(C)C)n1 ZINC000096484704 463282492 /nfs/dbraw/zinc/28/24/92/463282492.db2.gz IKJPFEQLNAUTRB-UHFFFAOYSA-N 1 0 346.504 2.210 40 30 EEEBRO C[C@H](O)[C@@H]1CCC[N@@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000245289669 464470162 /nfs/dbraw/zinc/47/01/62/464470162.db2.gz DJESYXFDJSHQIA-LESCRADOSA-N 1 0 327.428 2.146 40 30 EEEBRO C[NH+]=C(NCC(=O)N1CCCC1)NCC1(Sc2ccccc2)CC1 ZINC000095405801 526345981 /nfs/dbraw/zinc/34/59/81/526345981.db2.gz RNGFDPZPZYAMKR-UHFFFAOYSA-N 1 0 346.500 2.099 40 30 EEEBRO C=C(C)C[NH+]1CCC(NC(=O)NCc2ccc([S@@](C)=O)cc2)CC1 ZINC000096456714 526592578 /nfs/dbraw/zinc/59/25/78/526592578.db2.gz AZXCGJYDWGODIC-DEOSSOPVSA-N 1 0 349.500 2.264 40 30 EEEBRO CCc1nn(C)c(CC)c1CNC(NC[C@H](C)c1ccncc1)=[NH+]C ZINC000096484706 463282606 /nfs/dbraw/zinc/28/26/06/463282606.db2.gz FXGHQDLXKSDZAX-AWEZNQCLSA-N 1 0 342.491 2.409 40 30 EEEBRO C[NH+]=C(NCc1ncnn1C)NCC(c1ccccc1)c1ccccc1 ZINC000195533944 464073524 /nfs/dbraw/zinc/07/35/24/464073524.db2.gz OJFAZAUHDMIVJI-UHFFFAOYSA-N 1 0 348.454 2.312 40 30 EEEBRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NS(=O)(=O)Cc1cccc(C#N)c1 ZINC000189146133 464444445 /nfs/dbraw/zinc/44/44/45/464444445.db2.gz SCXULBFIAFLYAI-LSDHHAIUSA-N 1 0 335.473 2.098 40 30 EEEBRO COc1ccc2c(c1O)[C@@]13CC[N@H+](C)[C@@H](C2)[C@@H]1C=C(OC)C(=O)C3 ZINC000000000181 462540371 /nfs/dbraw/zinc/54/03/71/462540371.db2.gz INYYVPJSBIVGPH-WTOJCKNJSA-N 1 0 329.396 2.018 40 30 biogenic,in-vitro EEEBRO C=CCOC[C@H]1CN(C)C(=O)[C@@H]2CC[N@@H+](Cc3ccccn3)CC[C@H]12 ZINC000096065565 463163098 /nfs/dbraw/zinc/16/30/98/463163098.db2.gz LUZYLOSOMDSKKK-BHIYHBOVSA-N 1 0 343.471 2.201 40 30 EEEBRO C=CCn1c(=O)ccc2c1CC[C@H]([NH2+]Cc1ccc3c(c1)OCO3)C2 ZINC000096189698 463201912 /nfs/dbraw/zinc/20/19/12/463201912.db2.gz NHLHGZDBRCHXAU-INIZCTEOSA-N 1 0 338.407 2.410 40 30 EEEBRO CNC(NCc1ccccc1-c1ccc(Cn2cncn2)cc1)=[NH+]C ZINC000195529799 464071807 /nfs/dbraw/zinc/07/18/07/464071807.db2.gz GTZAKGZRVZTNHH-UHFFFAOYSA-N 1 0 334.427 2.288 40 30 EEEBRO CC[NH+]1CCN(c2ccc(N(C)C(=O)C(F)(F)F)cc2C#N)CC1 ZINC000226280320 464183563 /nfs/dbraw/zinc/18/35/63/464183563.db2.gz XKACLZMRUIRQAH-UHFFFAOYSA-N 1 0 340.349 2.225 40 30 EEEBRO C[NH+]1CCN(Cc2ccc(C(=O)N(CC#N)C3CCCC3)cc2)CC1 ZINC000074680237 462624572 /nfs/dbraw/zinc/62/45/72/462624572.db2.gz HCCNFWWMSVMOOF-UHFFFAOYSA-N 1 0 340.471 2.342 40 30 EEEBRO N#Cc1cccc(N[C@H]2CO[C@@]3(CC[N@H+](Cc4ccncc4)C3)C2)n1 ZINC000096047686 463152014 /nfs/dbraw/zinc/15/20/14/463152014.db2.gz UTBCJBAQCXVQNV-MJGOQNOKSA-N 1 0 335.411 2.194 40 30 EEEBRO Cc1cccc(N2CC[NH+](CCC(=O)NC3(C#N)CCC3)CC2)c1 ZINC000096427170 463257249 /nfs/dbraw/zinc/25/72/49/463257249.db2.gz RFJHDZWNNKTHTE-UHFFFAOYSA-N 1 0 326.444 2.070 40 30 EEEBRO C=CCNC(=O)NC(=O)C[NH2+][C@H](C)c1cccc(Br)c1 ZINC000096490944 463286572 /nfs/dbraw/zinc/28/65/72/463286572.db2.gz SVCWVNSIFAKFBL-SNVBAGLBSA-N 1 0 340.221 2.112 40 30 EEEBRO C[NH+]=C(NCc1cccc(N(C)C)n1)NC[C@H]1CCO[C@@H]1C(C)(C)C ZINC000096484699 463282456 /nfs/dbraw/zinc/28/24/56/463282456.db2.gz SQCLPYHZKKOXCM-PBHICJAKSA-N 1 0 347.507 2.264 40 30 EEEBRO C[NH+]=C(NC[C@H]1CCOC1)N1CCN(c2cccc(C)c2C)CC1 ZINC000195530270 464072283 /nfs/dbraw/zinc/07/22/83/464072283.db2.gz SGAKUZKNRZZOBD-QGZVFWFLSA-N 1 0 330.476 2.037 40 30 EEEBRO CC(=O)Nc1ccc(CC(=[NH2+])NOC(=O)c2ccccc2F)cc1 ZINC000226102666 464182950 /nfs/dbraw/zinc/18/29/50/464182950.db2.gz HHCXMGKOPYYNFH-UHFFFAOYSA-N 1 0 329.331 2.456 40 30 EEEBRO Cc1cc(C)c2ncc(C#N)c(N3CCN([C@@H]4CC[NH2+]C4)CC3)c2c1 ZINC000333569403 466623534 /nfs/dbraw/zinc/62/35/34/466623534.db2.gz RRXAHPGKBKMOCR-QGZVFWFLSA-N 1 0 335.455 2.207 40 30 EEEBRO C#CCN(C)C(=O)C[C@@H]1CC[NH2+]C[C@@H]1Cc1cc(C(C)(C)C)on1 ZINC000015673255 518253611 /nfs/dbraw/zinc/25/36/11/518253611.db2.gz HONUFOYEMUGQNE-GJZGRUSLSA-N 1 0 331.460 2.222 40 30 biogenic,in-vitro EEEBRO COCC[NH2+]C[C@H](O)CON=C1c2ccccc2-c2ccccc21 ZINC000002707496 1349963097 /nfs/dbraw/zinc/96/30/97/1349963097.db2.gz LGUIHZSWDZEVEN-AWEZNQCLSA-N 1 0 326.396 2.033 40 30 EEEBRO Cn1cncc1C[N@@H+]1CC[C@@]2(C[C@@H](Nc3cccc(C#N)c3)CO2)C1 ZINC000107225980 204227416 /nfs/dbraw/zinc/22/74/16/204227416.db2.gz QMEPEBBTVBUHJS-IEBWSBKVSA-N 1 0 337.427 2.137 40 30 EEEBRO Cn1cncc1-c1nnc([C@H]2CC[N@H+](Cc3cccc(C#N)c3)C2)o1 ZINC000049170444 204369235 /nfs/dbraw/zinc/36/92/35/204369235.db2.gz HQWDFPNJDCXDNF-HNNXBMFYSA-N 1 0 334.383 2.331 40 30 biogenic,in-vitro EEEBRO N#Cc1cccc(/C=C/C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000096412699 218768492 /nfs/dbraw/zinc/76/84/92/218768492.db2.gz HMJUBTDLIOVOEW-SHCNBLLESA-N 1 0 339.439 2.189 40 30 EEEBRO COCCN1CC2(CCC1=O)CC[NH+](Cc1ccc(C#N)cc1)CC2 ZINC000108529859 204265756 /nfs/dbraw/zinc/26/57/56/204265756.db2.gz YOODZXUQNGYYBB-UHFFFAOYSA-N 1 0 341.455 2.409 40 30 EEEBRO N#Cc1cccc(N[C@H]2CO[C@]3(CC[N@H+](Cc4ccncc4)C3)C2)n1 ZINC000096047684 463151192 /nfs/dbraw/zinc/15/11/92/463151192.db2.gz UTBCJBAQCXVQNV-IEBWSBKVSA-N 1 0 335.411 2.194 40 30 EEEBRO C=CCO[C@@H]1CC[N@@H+](Cc2cccnc2OC)[C@H]1Cc1cnn(C)c1 ZINC000096200244 463205540 /nfs/dbraw/zinc/20/55/40/463205540.db2.gz TUOOUDGDLZOOOF-ZWKOTPCHSA-N 1 0 342.443 2.212 40 30 EEEBRO C=CCOc1ccc(C[NH2+]CCCSc2nnnn2C)cc1OC ZINC000007541504 462740167 /nfs/dbraw/zinc/74/01/67/462740167.db2.gz XLGGOHWZPZAIGD-UHFFFAOYSA-N 1 0 349.460 2.056 40 30 EEEBRO N#Cc1cc(NC(=O)NCCCC[N@H+]2CCC[C@@H]2CO)ccc1F ZINC000096434617 463262196 /nfs/dbraw/zinc/26/21/96/463262196.db2.gz XZPTYCHXTHCXLZ-OAHLLOKOSA-N 1 0 334.395 2.056 40 30 EEEBRO CC(C)(O)C[N@H+](C1CC1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192795571 464998869 /nfs/dbraw/zinc/99/88/69/464998869.db2.gz MFELCGSKCAZVTG-KRWDZBQOSA-N 1 0 327.428 2.289 40 30 EEEBRO C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@@H](C3CCOCC3)C2)CC1 ZINC000253400407 465002279 /nfs/dbraw/zinc/00/22/79/465002279.db2.gz DORBECDCDBCNAD-QGZVFWFLSA-N 1 0 335.492 2.485 40 30 EEEBRO CC[NH+]=C(NCc1ncnn1C)N1CC[C@@H](c2ccccc2)[C@@H](C)C1 ZINC000225511579 535265293 /nfs/dbraw/zinc/26/52/93/535265293.db2.gz NASMNKYFWGLAII-DOTOQJQBSA-N 1 0 340.475 2.406 40 30 EEEBRO COC(=O)c1cc(CN2CCN(c3ccc(C#N)cc3F)CC2)c[nH]1 ZINC000092612826 203085819 /nfs/dbraw/zinc/08/58/19/203085819.db2.gz SUZIDXXSHXQCMW-UHFFFAOYSA-N 1 0 342.374 2.134 40 30 EEEBRO O=C(NCC#CC[NH+]1CCCC1)c1cc(-c2ccc(F)cc2)n[nH]1 ZINC000075164575 462689903 /nfs/dbraw/zinc/68/99/03/462689903.db2.gz XXJUBPHQCQHNSS-UHFFFAOYSA-N 1 0 326.375 2.045 40 30 EEEBRO CC[NH+]1CCN(c2c(N)cc(C#N)n2Cc2ccc(F)cc2)CC1 ZINC000225869969 464182561 /nfs/dbraw/zinc/18/25/61/464182561.db2.gz PXTUGFKOHOHRBD-UHFFFAOYSA-N 1 0 327.407 2.271 40 30 EEEBRO N#Cc1ccc(CN2CCC([NH2+]CC3(C(N)=O)CCCC3)CC2)cc1 ZINC000271916201 464411852 /nfs/dbraw/zinc/41/18/52/464411852.db2.gz YYDGZLIGPWKLPB-UHFFFAOYSA-N 1 0 340.471 2.158 40 30 EEEBRO C=CCNC(=O)CN1CC[NH+](CCCc2ccc(Cl)cc2)CC1 ZINC000077247892 462960079 /nfs/dbraw/zinc/96/00/79/462960079.db2.gz MPWZFEQPVSYHJN-UHFFFAOYSA-N 1 0 335.879 2.192 40 30 EEEBRO C[N@H+](CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)C1CCC1 ZINC000096493076 463287897 /nfs/dbraw/zinc/28/78/97/463287897.db2.gz GLECPDHTIFRWSQ-SFHVURJKSA-N 1 0 344.434 2.019 40 30 EEEBRO CC[NH+]=C(NC[C@H]1CCS(=O)(=O)C1)NCC1(CC(C)C)CCC1 ZINC000195546214 520204471 /nfs/dbraw/zinc/20/44/71/520204471.db2.gz PBURCEKVCOPCDC-OAHLLOKOSA-N 1 0 343.537 2.193 40 30 EEEBRO COCC1(CNc2ncc(Br)cc2C#N)CC[NH2+]CC1 ZINC000261750101 681975767 /nfs/dbraw/zinc/97/57/67/681975767.db2.gz MUUJKFOZQWLOKF-UHFFFAOYSA-N 1 0 339.237 2.144 40 30 EEEBRO CN(C(=[NH2+])NCc1cc2c(c(Br)c1)OCO2)C1CC1 ZINC000195559328 241010081 /nfs/dbraw/zinc/01/00/81/241010081.db2.gz DBMGHGXWABRWIJ-UHFFFAOYSA-N 1 0 326.194 2.087 40 30 EEEBRO O=C(C[n+]1ccccc1)c1ccc([O-])c(I)c1 ZINC000001666245 462585406 /nfs/dbraw/zinc/58/54/06/462585406.db2.gz MZHRDSKFQVLWPM-UHFFFAOYSA-O 1 0 340.140 2.167 40 30 EEEBRO CC[NH+]1CCN(c2c(N)cc(C#N)n2Cc2cccc(F)c2)CC1 ZINC000225869948 464182294 /nfs/dbraw/zinc/18/22/94/464182294.db2.gz SKDCGBPDJOTMNQ-UHFFFAOYSA-N 1 0 327.407 2.271 40 30 EEEBRO C[NH+]=C(NCc1ccnn1C)NCc1ccccc1OC(F)(F)F ZINC000079344573 518569995 /nfs/dbraw/zinc/56/99/95/518569995.db2.gz XKWRRWXIIUHRSY-UHFFFAOYSA-N 1 0 341.337 2.184 40 30 EEEBRO C[NH+]=C(NCC(C1CC1)C1CC1)N1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000086543595 518571351 /nfs/dbraw/zinc/57/13/51/518571351.db2.gz YFMSEPAOVYFLJQ-AWEZNQCLSA-N 1 0 329.492 2.296 40 30 EEEBRO Cc1ccc(NC(=[NH2+])Nc2nc(C)c(CC#N)c(=O)[nH]2)cc1Cl ZINC000013634109 1369633944 /nfs/dbraw/zinc/63/39/44/1369633944.db2.gz GEQIOXNZTQEVQW-UHFFFAOYSA-N 1 0 330.779 2.165 40 30 EEEBRO CCc1nc(CNC(NC[C@H]2COc3ccccc3O2)=[NH+]C)cs1 ZINC000078254583 463096369 /nfs/dbraw/zinc/09/63/69/463096369.db2.gz SPNKTISBCMTPOL-ZDUSSCGKSA-N 1 0 346.456 2.211 40 30 EEEBRO C[NH+]=C(NCCc1ccco1)N[C@H]1CCCN(c2ccccn2)C1 ZINC000195564084 464077134 /nfs/dbraw/zinc/07/71/34/464077134.db2.gz NNXVYCNQCZDNBE-HNNXBMFYSA-N 1 0 327.432 2.051 40 30 EEEBRO CCc1nn(C)c(CC)c1CNC(NC[C@@H](C)c1ccncc1)=[NH+]C ZINC000096484705 522650975 /nfs/dbraw/zinc/65/09/75/522650975.db2.gz FXGHQDLXKSDZAX-CQSZACIVSA-N 1 0 342.491 2.409 40 30 EEEBRO Cn1c2ccccc2[n+](C)c1/C=N/N=c1/sc2ccccc2n1C ZINC000005161547 201361151 /nfs/dbraw/zinc/36/11/51/201361151.db2.gz PUEFDVQYBUEFGQ-UHFFFAOYSA-N 1 0 336.444 2.491 40 30 EEEBRO C[C@H]1C[C@@H](OC[C@H](S)C[NH+]2CCN(CCO)CC2)CC(C)(C)C1 ZINC000019361277 463016956 /nfs/dbraw/zinc/01/69/56/463016956.db2.gz PURXJYWXKBULRX-GVDBMIGSSA-N 1 0 344.565 2.126 40 30 EEEBRO N#Cc1cccc(C[N@@H+]2CC[C@@H]3CN(c4ncccn4)CCO[C@@H]3C2)c1 ZINC000096249735 463227638 /nfs/dbraw/zinc/22/76/38/463227638.db2.gz KAZKOLSZTORZNT-RTBURBONSA-N 1 0 349.438 2.076 40 30 EEEBRO C[NH+]=C(NC[C@@H]1CCOC1)N1CCN(c2cccc(C)c2C)CC1 ZINC000195530269 464071754 /nfs/dbraw/zinc/07/17/54/464071754.db2.gz SGAKUZKNRZZOBD-KRWDZBQOSA-N 1 0 330.476 2.037 40 30 EEEBRO Cc1noc2ncnc(N(CC[NH+](C)C)Cc3ccc(C#N)cc3)c12 ZINC000192488368 464935083 /nfs/dbraw/zinc/93/50/83/464935083.db2.gz CPKWDSQPTPZVOS-UHFFFAOYSA-N 1 0 336.399 2.366 40 30 EEEBRO C#CC[N@@+]1(C)[C@@H]2CC[C@H]1C[C@H](OC(=O)[C@@H](CO)c1ccccc1)C2 ZINC000252462057 464955695 /nfs/dbraw/zinc/95/56/95/464955695.db2.gz PLKWEVUMSNPOQP-FIRLOTFOSA-N 1 0 328.432 2.079 40 30 biogenic EEEBRO CC[NH+]=C(NCc1ncnn1C)N1CC[C@H](c2ccccc2)[C@@H](C)C1 ZINC000225511548 535265326 /nfs/dbraw/zinc/26/53/26/535265326.db2.gz NASMNKYFWGLAII-RDJZCZTQSA-N 1 0 340.475 2.406 40 30 EEEBRO O=S(=O)(NCC#CC[NH+]1CCCC1)c1ccc(C(F)(F)F)cc1 ZINC000075164722 462690283 /nfs/dbraw/zinc/69/02/83/462690283.db2.gz CRNTYTXLSUGCAP-UHFFFAOYSA-N 1 0 346.374 2.083 40 30 EEEBRO N#Cc1cccc(C[N@H+]2CC[C@@H]3[C@@H]2CC(=O)N3Cc2cccnc2)c1 ZINC000096183986 463195382 /nfs/dbraw/zinc/19/53/82/463195382.db2.gz YJFYJELYYAXYCU-MOPGFXCFSA-N 1 0 332.407 2.329 40 30 EEEBRO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000096411335 463244041 /nfs/dbraw/zinc/24/40/41/463244041.db2.gz LVVFCECIBYUMAR-YJBOKZPZSA-N 1 0 327.428 2.190 40 30 EEEBRO N#Cc1cccc(N2CC[NH+](CCCOCC(F)(F)F)CC2)n1 ZINC000097229740 463351164 /nfs/dbraw/zinc/35/11/64/463351164.db2.gz SQSJXEAGKFRXMQ-UHFFFAOYSA-N 1 0 328.338 2.044 40 30 EEEBRO [NH2+]=C(NCc1ccc(Cn2cnc3ccccc32)cc1)N1CCOCC1 ZINC000195529978 464071843 /nfs/dbraw/zinc/07/18/43/464071843.db2.gz JWMAKBURMMKOGO-UHFFFAOYSA-N 1 0 349.438 2.232 40 30 EEEBRO [NH2+]=C(NC[C@@H]1CC(=O)N(CCc2ccccc2)C1)N1CCCCCC1 ZINC000195540021 464073479 /nfs/dbraw/zinc/07/34/79/464073479.db2.gz KGWITVYUOIDUEP-SFHVURJKSA-N 1 0 342.487 2.268 40 30 EEEBRO CN(CCS(=O)(=O)c1ccc(C#N)cc1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000247986919 464720829 /nfs/dbraw/zinc/72/08/29/464720829.db2.gz ZJGHUXRTLFXBMS-BRWVUGGUSA-N 1 0 348.468 2.077 40 30 EEEBRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)NCc1nccn1C(F)F ZINC000331311458 466027213 /nfs/dbraw/zinc/02/72/13/466027213.db2.gz GWPSRFUJZJTFDI-LLVKDONJSA-N 1 0 329.395 2.402 40 30 EEEBRO CCc1cc(CNC(=[NH+]C)N(C)Cc2ccc3c(c2)OCCO3)on1 ZINC000087173387 462594162 /nfs/dbraw/zinc/59/41/62/462594162.db2.gz JUHGJZVMFYULJO-UHFFFAOYSA-N 1 0 344.415 2.216 40 30 EEEBRO CC[NH+]1CCN([C@@H]2CCN(Cc3ccc(Cl)cc3C#N)C2)CC1 ZINC000187002116 529151192 /nfs/dbraw/zinc/15/11/92/529151192.db2.gz PLHPERYANFYORW-GOSISDBHSA-N 1 0 332.879 2.423 40 30 EEEBRO N#Cc1cccc(C[N@@H+]2CCOC[C@]3(CCN(c4ncccn4)C3)C2)c1 ZINC000096202307 463207002 /nfs/dbraw/zinc/20/70/02/463207002.db2.gz XEZBSKPDPMDHAL-HXUWFJFHSA-N 1 0 349.438 2.077 40 30 EEEBRO N#Cc1cccc(C[N@@H+]2CCOC[C@@]3(CCN(c4ncccn4)C3)C2)c1 ZINC000096202308 463207181 /nfs/dbraw/zinc/20/71/81/463207181.db2.gz XEZBSKPDPMDHAL-FQEVSTJZSA-N 1 0 349.438 2.077 40 30 EEEBRO CC1CCN(C(=[NH2+])NC[C@@H]2CC(=O)N(CCc3ccccc3)C2)CC1 ZINC000097227739 463349954 /nfs/dbraw/zinc/34/99/54/463349954.db2.gz KBJSLWWODZRZMR-SFHVURJKSA-N 1 0 342.487 2.124 40 30 EEEBRO C[NH+](C)[C@H]1CCOC2(CCN(C(=O)c3cccc(C#N)c3)CC2)C1 ZINC000108536327 463611005 /nfs/dbraw/zinc/61/10/05/463611005.db2.gz IWPBRZCNRJRZAI-KRWDZBQOSA-N 1 0 327.428 2.274 40 30 EEEBRO CN1CC[C@@H]([NH+]2CCC(NC(=O)CCc3ccsc3)CC2)C1=O ZINC000329206500 465266767 /nfs/dbraw/zinc/26/67/67/465266767.db2.gz YFMGHBIRHGNFOE-OAHLLOKOSA-N 1 0 335.473 2.332 40 30 EEEBRO N#Cc1cccc(N[C@H]2CO[C@@]3(CC[N@H+](CC4CCOCC4)C3)C2)n1 ZINC000096047702 463151768 /nfs/dbraw/zinc/15/17/68/463151768.db2.gz BQLAIDRJUWJSRV-MJGOQNOKSA-N 1 0 342.443 2.025 40 30 EEEBRO C#CC[NH+]1CCC(C(=O)N(c2ccccc2)[C@H](CC)C(=O)OC)CC1 ZINC000096409917 463242473 /nfs/dbraw/zinc/24/24/73/463242473.db2.gz WDFDNDONOSOQQC-GOSISDBHSA-N 1 0 342.439 2.316 40 30 EEEBRO CC[NH+]=C(NCCc1nc(C)no1)N1CCC[C@H](C(F)(F)F)C1 ZINC000172276029 464035806 /nfs/dbraw/zinc/03/58/06/464035806.db2.gz UNLNDZDJKLCYOD-NSHDSACASA-N 1 0 333.358 2.160 40 30 EEEBRO COc1cc(C[N@@H+]2CC[C@@H](Nc3nccnc3C#N)C2)cc(OC)c1 ZINC000088751442 462644180 /nfs/dbraw/zinc/64/41/80/462644180.db2.gz ZXBLVXHXGKBDNA-CQSZACIVSA-N 1 0 339.399 2.052 40 30 EEEBRO C[C@H](C1CC1)[N@H+](C)CC(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000091534368 462885953 /nfs/dbraw/zinc/88/59/53/462885953.db2.gz KBGXCZZEGKPGQH-APWZRJJASA-N 1 0 340.471 2.126 40 30 EEEBRO Cn1cncc1C[N@@H+]1CC[C@@]2(C[C@H](Nc3cccc(C#N)c3)CO2)C1 ZINC000096218884 463216785 /nfs/dbraw/zinc/21/67/85/463216785.db2.gz QMEPEBBTVBUHJS-PKOBYXMFSA-N 1 0 337.427 2.137 40 30 EEEBRO CC(C)C[NH+]=C(NCc1nc(C2CC2)no1)N[C@@H]1CCO[C@@H](C)C1 ZINC000195564459 464076955 /nfs/dbraw/zinc/07/69/55/464076955.db2.gz OZVWQDXWEQUYFR-GXTWGEPZSA-N 1 0 335.452 2.206 40 30 EEEBRO C[NH+]=C(NCc1ncnn1C)N1CC[C@@](C)(CCc2ccccc2)C1 ZINC000225464649 464162524 /nfs/dbraw/zinc/16/25/24/464162524.db2.gz HSDIYFMNIMMNKU-LJQANCHMSA-N 1 0 340.475 2.235 40 30 EEEBRO Cc1nnsc1CNC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000330222257 465574693 /nfs/dbraw/zinc/57/46/93/465574693.db2.gz MFVAQYQVOMSIJD-TZMCWYRMSA-N 1 0 335.477 2.209 40 30 EEEBRO CC(C)N1C[C@]2(CC1=O)COCC[N@H+](Cc1ccc(C#N)cc1)C2 ZINC000585103635 468970910 /nfs/dbraw/zinc/97/09/10/468970910.db2.gz DZDDNYWLHYIKNY-LJQANCHMSA-N 1 0 327.428 2.018 40 30 EEEBRO C[C@H]([NH2+]Cc1ccc(F)c(C#N)c1)c1ccc(S(N)(=O)=O)cc1 ZINC000097370709 219016162 /nfs/dbraw/zinc/01/61/62/219016162.db2.gz ZAXOWOLNDWALPE-NSHDSACASA-N 1 0 333.388 2.196 40 30 EEEBRO C=CC[NH+]1CCC(NC(=O)c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000096182315 463194340 /nfs/dbraw/zinc/19/43/40/463194340.db2.gz KLULRQFJYTVEOG-UHFFFAOYSA-N 1 0 334.416 2.093 40 30 EEEBRO CCCC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1ccc(C#N)cc1 ZINC000058180491 463548708 /nfs/dbraw/zinc/54/87/08/463548708.db2.gz HTZYGKNDHFYSAL-INIZCTEOSA-N 1 0 335.473 2.491 40 30 EEEBRO Cn1cc(C[N@@H+]2CC[C@@]3(C[C@@H](Nc4cccc(C#N)c4)CO3)C2)cn1 ZINC000107225964 219754323 /nfs/dbraw/zinc/75/43/23/219754323.db2.gz DYIABHPWKCEFNE-RTBURBONSA-N 1 0 337.427 2.137 40 30 EEEBRO C=CC[NH+]1CCC(NC(=O)[C@]2(C)CC(c3cccs3)=NO2)CC1 ZINC000226747712 242111354 /nfs/dbraw/zinc/11/13/54/242111354.db2.gz BOQUIDIJBHDHON-KRWDZBQOSA-N 1 0 333.457 2.398 40 30 EEEBRO CC(C)(C#N)c1ccccc1C[N@@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000095425729 218367649 /nfs/dbraw/zinc/36/76/49/218367649.db2.gz BEVLVGUQCAKCKU-MRXNPFEDSA-N 1 0 326.444 2.477 40 30 EEEBRO CC1=CC(=C2C(=O)c3ccccc3C2=O)C=C(C)N1CC[NH2+]CCO ZINC000001585676 462583743 /nfs/dbraw/zinc/58/37/43/462583743.db2.gz VWAYANBLPFTZRX-UHFFFAOYSA-N 1 0 338.407 2.067 40 30 EEEBRO Cn1nc(C2CC[NH+](Cc3ccccc3C#N)CC2)n(C2CC2)c1=O ZINC000077154156 462943873 /nfs/dbraw/zinc/94/38/73/462943873.db2.gz LKVFXWUGOKCWNT-UHFFFAOYSA-N 1 0 337.427 2.168 40 30 EEEBRO N#Cc1cc(Cl)ccc1S(=O)(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000096427890 463258008 /nfs/dbraw/zinc/25/80/08/463258008.db2.gz MJIRUEIDOYRAFH-CQSZACIVSA-N 1 0 339.848 2.070 40 30 EEEBRO CC[NH+](CC)CC#C[C@H](C)OC(=O)c1sc(-c2nc[nH]n2)nc1C ZINC000096482975 463281707 /nfs/dbraw/zinc/28/17/07/463281707.db2.gz WFSIMMIRKULXRL-NSHDSACASA-N 1 0 347.444 2.127 40 30 EEEBRO CCc1nn(C)c(CC)c1CNC(NCc1ccn(C(C)C)n1)=[NH+]C ZINC000096484693 463282310 /nfs/dbraw/zinc/28/23/10/463282310.db2.gz XNQUSOPFSPNBJP-UHFFFAOYSA-N 1 0 345.495 2.188 40 30 EEEBRO COCCN1CC[C@]2(CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C1=O ZINC000108535219 463611472 /nfs/dbraw/zinc/61/14/72/463611472.db2.gz IUWPGANWXVTIHL-HXUWFJFHSA-N 1 0 341.455 2.409 40 30 EEEBRO CCc1nc(CN2CCC(CNC(=[NH2+])N(C)C3CC3)CC2)cs1 ZINC000181479159 464495534 /nfs/dbraw/zinc/49/55/34/464495534.db2.gz QAKARTYLSURHSB-UHFFFAOYSA-N 1 0 335.521 2.326 40 30 EEEBRO CN(C(=[NH2+])NC[C@H](c1ccc(Cl)cc1)N1CCOCC1)C1CC1 ZINC000252483954 288772956 /nfs/dbraw/zinc/77/29/56/288772956.db2.gz FLHXNKINIYNSOY-MRXNPFEDSA-N 1 0 336.867 2.122 40 30 EEEBRO C#CCOc1ccccc1C[NH+]1CCC(N2CCCNC2=O)CC1 ZINC000093669351 218242355 /nfs/dbraw/zinc/24/23/55/218242355.db2.gz NDJXOSZHOBVFCB-UHFFFAOYSA-N 1 0 327.428 2.078 40 30 EEEBRO N#Cc1ccc(S(=O)(=O)NC[C@H]([NH3+])c2ccccc2)cc1Cl ZINC000095432057 218375198 /nfs/dbraw/zinc/37/51/98/218375198.db2.gz DJXZBUNQDIMKBP-HNNXBMFYSA-N 1 0 335.816 2.190 40 30 EEEBRO N#Cc1cccc(C(=O)N2CCn3cc(C[NH+]4CCCC4)nc3C2)c1 ZINC000096197236 463203056 /nfs/dbraw/zinc/20/30/56/463203056.db2.gz DRMRCPFPAXWVJH-UHFFFAOYSA-N 1 0 335.411 2.007 40 30 EEEBRO COc1ccc(C(=O)ONC(=[NH2+])Cc2ccc(NC(C)=O)cc2)cc1 ZINC000226102712 464183877 /nfs/dbraw/zinc/18/38/77/464183877.db2.gz XCDLSZWZWMEZMU-UHFFFAOYSA-N 1 0 341.367 2.325 40 30 EEEBRO C#CC[N@@+]1(C)[C@@H]2CC[C@H]1C[C@H](OC(=O)[C@H](CO)c1ccccc1)C2 ZINC000252462058 464956017 /nfs/dbraw/zinc/95/60/17/464956017.db2.gz PLKWEVUMSNPOQP-HZVKZAKPSA-N 1 0 328.432 2.079 40 30 biogenic EEEBRO C=C1CC[NH+]([C@@H](C)[C@](O)(Cn2cncn2)c2ccc(F)cc2F)CC1 ZINC000006487570 462686822 /nfs/dbraw/zinc/68/68/22/462686822.db2.gz NFEZZTICAUWDHU-KBXCAEBGSA-N 1 0 348.397 2.485 40 30 EEEBRO N#C[C@H](C(=O)c1ccnc(-n2ccnc2)c1)c1nnc2n1CCCCC2 ZINC000187225710 464107403 /nfs/dbraw/zinc/10/74/03/464107403.db2.gz WUELUROYCZGGLG-CQSZACIVSA-N 1 0 347.382 2.075 40 30 EEEBRO N#Cc1cccc(C[NH2+]C[C@@H](C(=O)N2CCOCC2)c2ccccc2)c1 ZINC000078553720 217075366 /nfs/dbraw/zinc/07/53/66/217075366.db2.gz SBNIANUUZYXZTB-HXUWFJFHSA-N 1 0 349.434 2.290 40 30 EEEBRO C[NH+]=C(NCc1nncn1C)NCC(c1ccccc1)c1ccccc1 ZINC000095397517 218329627 /nfs/dbraw/zinc/32/96/27/218329627.db2.gz JHQZYZOUUIGYSP-UHFFFAOYSA-N 1 0 348.454 2.312 40 30 EEEBRO C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[C@@H]2Oc2ccccc2)CC1 ZINC000079033082 463181693 /nfs/dbraw/zinc/18/16/93/463181693.db2.gz YWSROZCESXQPFZ-MOPGFXCFSA-N 1 0 326.440 2.448 40 30 EEEBRO N#Cc1cnc(NC[C@H](O)C[N@@H+]2CCc3ccccc3C2)c(Cl)c1 ZINC000079353709 463207861 /nfs/dbraw/zinc/20/78/61/463207861.db2.gz VGOIVPRRUDGLOY-INIZCTEOSA-N 1 0 342.830 2.438 40 30 EEEBRO CCOc1ccccc1CN1CCN(c2cnc(C#N)cn2)[C@H](C)C1 ZINC000225645300 464178054 /nfs/dbraw/zinc/17/80/54/464178054.db2.gz HUCGSFXFALZQIE-OAHLLOKOSA-N 1 0 337.427 2.458 40 30 EEEBRO C[C@H](CO)[N@@H+]1CCCN(c2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000241439853 464451441 /nfs/dbraw/zinc/45/14/41/464451441.db2.gz NMUJBVAZRYVNJM-GFCCVEGCSA-N 1 0 327.350 2.470 40 30 EEEBRO CC[C@H](O)C[NH+]1CCN(c2ccc(Br)cc2C#N)CC1 ZINC000302205045 466120459 /nfs/dbraw/zinc/12/04/59/466120459.db2.gz WRAONVZALCZBEN-AWEZNQCLSA-N 1 0 338.249 2.214 40 30 EEEBRO CC(C)CN1C[C@@]2(CC1=O)COCC[N@H+](Cc1ccc(C#N)cc1)C2 ZINC000585104686 468972165 /nfs/dbraw/zinc/97/21/65/468972165.db2.gz QXSKYDGKHVZLPF-FQEVSTJZSA-N 1 0 341.455 2.265 40 30 EEEBRO C[N@@H+]1C[C@H]2[C@@H](C3=C(CC(C)(C)CC3=O)N2Cc2ccccc2)[C@@H](O)C1 ZINC000004273415 210158302 /nfs/dbraw/zinc/15/83/02/210158302.db2.gz KOHMZZHVNVAGOM-XKGZKEIXSA-N 1 0 340.467 2.437 40 30 EEEBRO N#Cc1ccc(N2C[C@@]3(CC[N@@H+](C4CCOCC4)C3)CC2=O)cc1 ZINC000096077458 283172278 /nfs/dbraw/zinc/17/22/78/283172278.db2.gz OOSWRDHFGRRXQT-IBGZPJMESA-N 1 0 325.412 2.166 40 30 EEEBRO C[C@H]1CN(C)CC[N@@H+]1CC1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC000085468141 462549087 /nfs/dbraw/zinc/54/90/87/462549087.db2.gz DQFAYTKSXNXKAG-INIZCTEOSA-N 1 0 340.471 2.046 40 30 EEEBRO CCOC(=O)C=C(N)[NH2+]Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000016682230 462986800 /nfs/dbraw/zinc/98/68/00/462986800.db2.gz HXHKXKNFYSOLET-UHFFFAOYSA-N 1 0 334.254 2.251 40 30 EEEBRO CC[NH+]=C(NCc1nncn1C)NCC1(c2ccccc2)CCCC1 ZINC000079349216 217212283 /nfs/dbraw/zinc/21/22/83/217212283.db2.gz JDEVAMPPEBRDLI-UHFFFAOYSA-N 1 0 340.475 2.382 40 30 EEEBRO C=CCN1CC[C@]2(C[N@@H+]([C@H]3CCOC3)C[C@H]2c2ccccc2)C1=O ZINC000096201901 463206559 /nfs/dbraw/zinc/20/65/59/463206559.db2.gz HOJMSNCSGAGBQM-CMKODMSKSA-N 1 0 326.440 2.279 40 30 EEEBRO Cc1ncc(C[N@@H+]2CC[C@@H](Nc3nccnc3C#N)[C@H](C)C2)s1 ZINC000096419453 463250117 /nfs/dbraw/zinc/25/01/17/463250117.db2.gz BOWLQIKOJRTRTF-BXUZGUMPSA-N 1 0 328.445 2.436 40 30 EEEBRO CC[NH+](CC)CC#C[C@H](C)OC(=O)c1cccc(-n2cncn2)c1 ZINC000096482981 463281559 /nfs/dbraw/zinc/28/15/59/463281559.db2.gz HEALUOONKAJBGO-HNNXBMFYSA-N 1 0 326.400 2.158 40 30 EEEBRO C[C@@H]1CN([C@@H](CNC(=[NH2+])N(C)C)c2c(F)cccc2Cl)CCO1 ZINC000170912653 463741347 /nfs/dbraw/zinc/74/13/47/463741347.db2.gz WWVIKNYFFNTSTI-RISCZKNCSA-N 1 0 342.846 2.117 40 30 EEEBRO C=CC[NH+]1CCC2(CC1)C[C@H](NC(=O)COC)c1ccccc1O2 ZINC000096242778 275427668 /nfs/dbraw/zinc/42/76/68/275427668.db2.gz IRHDIVYFXBXYCJ-INIZCTEOSA-N 1 0 330.428 2.293 40 30 EEEBRO C=CC[N@@H+]1C[C@@H]2C[NH+](Cc3cccc(C#N)c3)CCC[C@]2(C(=O)[O-])C1 ZINC000096064227 463162404 /nfs/dbraw/zinc/16/24/04/463162404.db2.gz OMCUTDDCGWDTKC-ICSRJNTNSA-N 1 0 339.439 2.343 40 30 EEEBRO CC[NH+]=C(NCCc1nc(C)no1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000172276032 464036102 /nfs/dbraw/zinc/03/61/02/464036102.db2.gz UNLNDZDJKLCYOD-LLVKDONJSA-N 1 0 333.358 2.160 40 30 EEEBRO C[C@H]1C[C@H](OC[C@H](S)C[NH+]2CCN(CCO)CC2)CC(C)(C)C1 ZINC000022446534 524936618 /nfs/dbraw/zinc/93/66/18/524936618.db2.gz PURXJYWXKBULRX-YESZJQIVSA-N 1 0 344.565 2.126 40 30 EEEBRO C=C(C)C[NH+]1CCC(NC(=O)NCc2ccc([S@](C)=O)cc2)CC1 ZINC000096456712 526592957 /nfs/dbraw/zinc/59/29/57/526592957.db2.gz AZXCGJYDWGODIC-XMMPIXPASA-N 1 0 349.500 2.264 40 30 EEEBRO C[NH+](C)[C@H]1CCOC2(CCN(C(=O)c3ccc(C#N)cc3)CC2)C1 ZINC000108526420 219898041 /nfs/dbraw/zinc/89/80/41/219898041.db2.gz YZIVLMZZTOZMJN-KRWDZBQOSA-N 1 0 327.428 2.274 40 30 EEEBRO N#Cc1ccc(OC[C@]23COC[C@H]2C[N@H+](Cc2ccoc2)C3)nc1 ZINC000096109092 463178353 /nfs/dbraw/zinc/17/83/53/463178353.db2.gz QGVJFSKIRRLWJF-AEFFLSMTSA-N 1 0 325.368 2.074 40 30 EEEBRO N#Cc1cccc(OC[C@@H]2CO[C@@H]3C[N@H+](Cc4ccncc4)C[C@H]23)c1 ZINC000096209635 463214064 /nfs/dbraw/zinc/21/40/64/463214064.db2.gz PCDGNNJTLFEATB-MISYRCLQSA-N 1 0 335.407 2.479 40 30 EEEBRO CN1CC[N@H+](C)C[C@H]1CNc1c(C#N)cnc2ccc(Cl)cc21 ZINC000096429465 463258951 /nfs/dbraw/zinc/25/89/51/463258951.db2.gz CCSYRSRWDWUZNA-CQSZACIVSA-N 1 0 329.835 2.418 40 30 EEEBRO C=CCNC(=O)NC(=O)C[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000096490942 463286749 /nfs/dbraw/zinc/28/67/49/463286749.db2.gz SVCWVNSIFAKFBL-JTQLQIEISA-N 1 0 340.221 2.112 40 30 EEEBRO C[NH+]=C(NC[C@H]1CCOC1)N(C)CCOc1ccc(Cl)cc1 ZINC000195530275 464072487 /nfs/dbraw/zinc/07/24/87/464072487.db2.gz TVKPLLBOQHHABB-CYBMUJFWSA-N 1 0 325.840 2.263 40 30 EEEBRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NS(=O)(=O)Cc1cccc(C#N)c1 ZINC000189146110 464444533 /nfs/dbraw/zinc/44/45/33/464444533.db2.gz SCXULBFIAFLYAI-HUUCEWRRSA-N 1 0 335.473 2.098 40 30 EEEBRO C#CCNC(=O)C[C@@H]1CC[N@@H+](Cc2ccc(OC)cc2O)C[C@@H]1CC ZINC000008300198 518277256 /nfs/dbraw/zinc/27/72/56/518277256.db2.gz UWGRJOXZUCJEEB-HOTGVXAUSA-N 1 0 344.455 2.388 40 30 biogenic,in-vitro EEEBRO C#CC(C)(C)OC[C@H](O)C[N+]1(Cc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000226071922 532989146 /nfs/dbraw/zinc/98/91/46/532989146.db2.gz NNDZOKDWEVFNAL-GOSISDBHSA-N 1 0 347.435 2.495 40 30 EEEBRO CCN(CC)[P+](NNC(N)=S)(N(CC)CC)N(CC)CC ZINC000005453892 462660633 /nfs/dbraw/zinc/66/06/33/462660633.db2.gz SQKGYRPWJATFSX-UHFFFAOYSA-O 1 0 337.498 2.027 40 30 EEEBRO C[NH+]=C(NCc1ccon1)N[C@@H]1CCCN(c2cc(C)ccc2F)C1 ZINC000096462463 463278329 /nfs/dbraw/zinc/27/83/29/463278329.db2.gz PKICULADOIPRPK-OAHLLOKOSA-N 1 0 345.422 2.456 40 30 EEEBRO CC[NH+](CC)CC#C[C@@H](C)OC(=O)c1sc(-c2nc[nH]n2)nc1C ZINC000096482974 463281044 /nfs/dbraw/zinc/28/10/44/463281044.db2.gz WFSIMMIRKULXRL-LLVKDONJSA-N 1 0 347.444 2.127 40 30 EEEBRO N#CC1(NC(=O)CCc2ccncn2)CC[NH+](Cc2ccccc2)CC1 ZINC000253429946 465013241 /nfs/dbraw/zinc/01/32/41/465013241.db2.gz DMSSHZAZKJCSJF-UHFFFAOYSA-N 1 0 349.438 2.084 40 30 EEEBRO Cn1cc(C2CCN(C(=O)NC[C@@H]3CCCn4ccnc43)CC2)cn1 ZINC000329981929 465495600 /nfs/dbraw/zinc/49/56/00/465495600.db2.gz OFOAQAVVKLHXHJ-HNNXBMFYSA-N 1 0 342.447 2.288 40 30 EEEBRO Cn1cc(C2CCN(C(=O)NC[C@H]3CCCn4ccnc43)CC2)cn1 ZINC000329981930 465495659 /nfs/dbraw/zinc/49/56/59/465495659.db2.gz OFOAQAVVKLHXHJ-OAHLLOKOSA-N 1 0 342.447 2.288 40 30 EEEBRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NCc1nccn1C(F)F ZINC000331311459 466027552 /nfs/dbraw/zinc/02/75/52/466027552.db2.gz GWPSRFUJZJTFDI-NSHDSACASA-N 1 0 329.395 2.402 40 30 EEEBRO C#CC[NH+]1CCC(C(=O)N[C@H](C)c2cccc(-n3cccn3)c2)CC1 ZINC000074035697 462545264 /nfs/dbraw/zinc/54/52/64/462545264.db2.gz GCLNSKVPSFRRCU-MRXNPFEDSA-N 1 0 336.439 2.395 40 30 EEEBRO N#Cc1ccc2[nH]c(CO[C@H]3C[N@H+](C4CCOCC4)C[C@H]3F)nc2c1 ZINC000096112288 463180122 /nfs/dbraw/zinc/18/01/22/463180122.db2.gz ANHAAGFWRVPBII-PBHICJAKSA-N 1 0 344.390 2.152 40 30 biogenic,in-vitro EEEBRO C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000253421238 465009462 /nfs/dbraw/zinc/00/94/62/465009462.db2.gz SJMFPCANFRRJKB-WZGPROSRSA-N 1 0 343.471 2.389 40 30 EEEBRO C1=CCC(NC(NCc2nc(C3CC3)no2)=[NH+]C[C@H]2CCCCO2)C1 ZINC000195564455 464077940 /nfs/dbraw/zinc/07/79/40/464077940.db2.gz YYBAMZZQXXKUGY-OAHLLOKOSA-N 1 0 345.447 2.270 40 30 EEEBRO C[C@@H]1CN([C@H](CNC(=[NH2+])N(C)C)c2c(F)cccc2Cl)CCO1 ZINC000225546606 464171064 /nfs/dbraw/zinc/17/10/64/464171064.db2.gz WWVIKNYFFNTSTI-BXUZGUMPSA-N 1 0 342.846 2.117 40 30 EEEBRO CC1CC[NH+](CCCCNS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000040157090 213275969 /nfs/dbraw/zinc/27/59/69/213275969.db2.gz JKBBAPIXVNXHOI-UHFFFAOYSA-N 1 0 335.473 2.349 40 30 EEEBRO COC(=O)[C@H](Cc1ccc(O)c(O)c1)/[NH+]=C/c1ccc(N(C)C)cc1 ZINC000016028158 462968138 /nfs/dbraw/zinc/96/81/38/462968138.db2.gz KKSNBVREMNWMEH-DORSJAEJSA-N 1 0 342.395 2.367 40 30 EEEBRO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C#Cc1ccccc1 ZINC000188087904 464196637 /nfs/dbraw/zinc/19/66/37/464196637.db2.gz SZKIXHZJJBDAFG-JOCHJYFZSA-N 1 0 348.446 2.134 40 30 EEEBRO C[C@@H](NC(=O)c1csc(-c2cnn(C)c2)n1)C1=CC[N@H+](C)CC1 ZINC000329523185 465362114 /nfs/dbraw/zinc/36/21/14/465362114.db2.gz RMIMXQJXPKGMKK-LLVKDONJSA-N 1 0 331.445 2.499 40 30 EEEBRO CC(C)N1C[C@@]2(CC1=O)COCC[N@H+](Cc1ccc(C#N)cc1)C2 ZINC000585103616 468970070 /nfs/dbraw/zinc/97/00/70/468970070.db2.gz DZDDNYWLHYIKNY-IBGZPJMESA-N 1 0 327.428 2.018 40 30 EEEBRO C#CCOC(=O)c1cc(-n2cccc2)ccc1N1CC[NH+](CC)CC1 ZINC000226278230 464183412 /nfs/dbraw/zinc/18/34/12/464183412.db2.gz KCLDMJCERRDWHA-UHFFFAOYSA-N 1 0 337.423 2.409 40 30 EEEBRO CC(=O)N1CCC([N@@H+]2CC[C@H](c3nc4cc(C#N)ccc4[nH]3)C2)CC1 ZINC000035446873 213029323 /nfs/dbraw/zinc/02/93/23/213029323.db2.gz AJWDSNGZBBYLSG-HNNXBMFYSA-N 1 0 337.427 2.235 40 30 biogenic,in-vitro EEEBRO CCOC(=O)c1sc(N2CC[NH2+]CC2)nc1-c1ccc(C#N)cc1 ZINC000021986859 212268755 /nfs/dbraw/zinc/26/87/55/212268755.db2.gz VHSZJNHEUIPKHF-UHFFFAOYSA-N 1 0 342.424 2.268 40 30 EEEBRO N#Cc1ccc(C[NH2+]C[C@H](C(=O)N2CCOCC2)c2ccccc2)cc1 ZINC000078553715 303191116 /nfs/dbraw/zinc/19/11/16/303191116.db2.gz OPHLZNFFCOSBTP-FQEVSTJZSA-N 1 0 349.434 2.290 40 30 EEEBRO N#Cc1ccccc1NC(=O)CN1CCC([NH+]2CCCCC2)CC1 ZINC000026439267 463162089 /nfs/dbraw/zinc/16/20/89/463162089.db2.gz AXWVBCDBEXDHIK-UHFFFAOYSA-N 1 0 326.444 2.447 40 30 EEEBRO C[C@H](NC(=O)c1csc(-c2cnn(C)c2)n1)C1=CC[N@H+](C)CC1 ZINC000329523187 465362293 /nfs/dbraw/zinc/36/22/93/465362293.db2.gz RMIMXQJXPKGMKK-NSHDSACASA-N 1 0 331.445 2.499 40 30 EEEBRO Cc1ccsc1CNC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000330206363 465568589 /nfs/dbraw/zinc/56/85/89/465568589.db2.gz FAVIKJWTILIRGQ-UHFFFAOYSA-N 1 0 333.461 3.046 40 30 EEEBRO C[C@@H]([NH2+]CC(=O)N[C@](C)(C#N)C1CC1)c1ccc2c(c1)CCC(=O)N2 ZINC000096491033 463286410 /nfs/dbraw/zinc/28/64/10/463286410.db2.gz HAHPHOOSGGJXDF-CWTRNNRKSA-N 1 0 340.427 2.030 40 30 EEEBRO C[NH+]=C(NC[C@@H]1CCOC1)N(C)Cc1ccc(Br)cc1 ZINC000195530272 464071911 /nfs/dbraw/zinc/07/19/11/464071911.db2.gz XKRHIZBLGBFTKO-ZDUSSCGKSA-N 1 0 340.265 2.493 40 30 EEEBRO CC[NH+]=C(NCCn1cccc1)NCc1ccnc(N2CCCC2)c1 ZINC000195546169 464074544 /nfs/dbraw/zinc/07/45/44/464074544.db2.gz MHBNXZRRVWXFBG-UHFFFAOYSA-N 1 0 340.475 2.239 40 30 EEEBRO N#Cc1ccc(C[NH2+]CCC(=O)N2CCN(c3ccccc3)CC2)cc1 ZINC000133723946 539429775 /nfs/dbraw/zinc/42/97/75/539429775.db2.gz KEFLEVMEVFCIKJ-UHFFFAOYSA-N 1 0 348.450 2.387 40 30 EEEBRO N#Cc1cccc(N[C@@H]2CO[C@@]3(CC[N@H+](Cc4ccncc4)C3)C2)n1 ZINC000096047687 463151359 /nfs/dbraw/zinc/15/13/59/463151359.db2.gz UTBCJBAQCXVQNV-HKUYNNGSSA-N 1 0 335.411 2.194 40 30 EEEBRO C=CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCCO3)CC[C@]2(c2ccccc2)C1 ZINC000096083268 463170758 /nfs/dbraw/zinc/17/07/58/463170758.db2.gz RPRCGOWIULOATA-QKNQBKEWSA-N 1 0 340.467 2.454 40 30 EEEBRO C[N@@H+]1C[C@@H](C(=O)N2CCC(C#N)CC2)[C@@H]2COc3ccccc3[C@@H]21 ZINC001772595856 1178867576 /nfs/dbraw/zinc/86/75/76/1178867576.db2.gz OSZQAGOUUDOYLT-RYRKJORJSA-N 1 0 325.412 2.060 40 30 EEEBRO