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(NC[C@@H]1C[N@H+](C)CCN1C)N(C)Cc1ccc(Br)cc1 ZINC000262749610 531129052 /nfs/dbraw/zinc/12/90/52/531129052.db2.gz BLFZIXVNINKFTF-MRXNPFEDSA-N 2 0 382.350 1.702 20 30 GDEDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(Br)c(C#N)n1 ZINC000883086479 657268570 /nfs/dbraw/zinc/26/85/70/657268570.db2.gz XAIDMZZAIJDUIG-UHFFFAOYSA-N 2 0 383.294 1.673 20 30 GDEDRP C[NH+]=C(NC[C@H](O)c1cc(Cl)cc(Cl)c1)NC[C@H]1C[N@H+](C)CCN1C ZINC000261787828 531098993 /nfs/dbraw/zinc/09/89/93/531098993.db2.gz FZECCPXEAFOULG-HOTGVXAUSA-N 2 0 388.343 1.438 20 30 GDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCNC(=O)c1ccc(Br)cc1 ZINC000303877416 645238768 /nfs/dbraw/zinc/23/87/68/645238768.db2.gz IOMAVOXSLZOOCP-HNNXBMFYSA-N 2 0 396.333 1.568 20 30 GDEDRP C[NH+](C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000155310772 531199473 /nfs/dbraw/zinc/19/94/73/531199473.db2.gz VCHRTNHMUOPTBD-UHFFFAOYSA-N 2 0 384.933 1.858 20 30 GDEDRP C[NH+]=C(NC[C@H]1C[NH+]2CCN1CC2)N(C)Cc1ccc(Br)cc1 ZINC000262783975 645139045 /nfs/dbraw/zinc/13/90/45/645139045.db2.gz LTDGCBABZNGXCH-INIZCTEOSA-N 2 0 380.334 1.456 20 30 GDEDRP N#Cc1c2c(cnc1N1CCc3ncc(C[NH+]4CCCC4)n3CC1)C[NH2+]CCC2 ZINC001164733297 720550058 /nfs/dbraw/zinc/55/00/58/720550058.db2.gz KQSRKTURQHQQKJ-UHFFFAOYSA-N 2 0 391.523 1.844 20 30 GDEDRP FC1(F)[C@@H]2C[NH+](CCN3CC[NH2+]CC3)C[C@H]2C(F)(F)C(F)(F)C1(F)F ZINC000923530361 656563743 /nfs/dbraw/zinc/56/37/43/656563743.db2.gz DJEJLHAWOHJIEW-NXEZZACHSA-N 2 0 381.311 1.994 20 30 GDEDRP C[NH+](C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000331304358 532143682 /nfs/dbraw/zinc/14/36/82/532143682.db2.gz WHBIHGURBVMVHN-UHFFFAOYSA-N 2 0 384.933 1.858 20 30 GDEDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)COc1cccc(Br)c1C#N ZINC000569898956 651015956 /nfs/dbraw/zinc/01/59/56/651015956.db2.gz GTIPXDNTWTWBNE-UHFFFAOYSA-N 2 0 397.317 1.651 20 30 GDEDRP C[NH+](C)C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)C[C@H]1C[NH+](C)C ZINC000867589898 656089504 /nfs/dbraw/zinc/08/95/04/656089504.db2.gz ROSYOILRVOUNLH-HUUCEWRRSA-N 2 0 384.933 1.572 20 30 GDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCNS(=O)(=O)c1cc(C)sc1C ZINC000151409149 644780226 /nfs/dbraw/zinc/78/02/26/644780226.db2.gz KZWDZOSTLXMSPT-AWEZNQCLSA-N 2 0 387.575 1.032 20 30 GDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCNS(=O)(=O)c1cccc(Cl)c1 ZINC000303785680 645238718 /nfs/dbraw/zinc/23/87/18/645238718.db2.gz QNHRSWWVJBAZBM-CQSZACIVSA-N 2 0 387.937 1.007 20 30 GDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCNC(=O)c1ccc(Br)cc1 ZINC000303877417 645239495 /nfs/dbraw/zinc/23/94/95/645239495.db2.gz IOMAVOXSLZOOCP-OAHLLOKOSA-N 2 0 396.333 1.568 20 30 GDEDRP Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ncc5c(c4C#N)CCC[NH2+]C5)C[C@H]3C2)cn1 ZINC001164770412 721073180 /nfs/dbraw/zinc/07/31/80/721073180.db2.gz PXOVWCYXHRKNAW-IEBWSBKVSA-N 2 0 391.523 1.681 20 30 GDEDRP C#CCSCC[NH2+][C@@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000271554058 532025924 /nfs/dbraw/zinc/02/59/24/532025924.db2.gz WMMLCTQNBPWIOV-INIZCTEOSA-N 2 0 383.583 1.934 20 30 GDEDRP C[NH+](C)C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)C[C@H]1C[NH+](C)C ZINC000867589961 656089479 /nfs/dbraw/zinc/08/94/79/656089479.db2.gz UQXGHYILHAGZJH-HUUCEWRRSA-N 2 0 384.933 1.572 20 30 GDEDRP C[NH+]=C(NC[C@@H](C)N1CC[NH+](C)CC1)N(C)Cc1cc(Br)cn1C ZINC000261746627 531098101 /nfs/dbraw/zinc/09/81/01/531098101.db2.gz LIGUZLJBGRCPFE-CQSZACIVSA-N 2 0 399.381 1.431 20 30 GDEDRP CC[NH+]=C(NC[C@H]1C[NH+]2CCN1CC2)N(C)Cc1cc(Br)cn1C ZINC000261859565 645118105 /nfs/dbraw/zinc/11/81/05/645118105.db2.gz ZDCQHRYNOXPEFN-INIZCTEOSA-N 2 0 397.365 1.185 20 30 GDEDRP C[NH+](C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cccc(Cl)c1C#N ZINC000331279751 645490671 /nfs/dbraw/zinc/49/06/71/645490671.db2.gz KFWDCLLSGJTUDM-UHFFFAOYSA-N 2 0 384.933 1.858 20 30 GDEDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Cc1ccc(Br)cc1C#N ZINC000593450155 652212269 /nfs/dbraw/zinc/21/22/69/652212269.db2.gz FKLZBGXTUCDKHJ-UHFFFAOYSA-N 2 0 381.318 1.815 20 30 GDEDRP N#Cc1c2c(cnc1N1CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C1)C[NH2+]CCC2 ZINC001164738612 720609924 /nfs/dbraw/zinc/60/99/24/720609924.db2.gz CBVHQUZMAPDWGU-DLBZAZTESA-N 2 0 391.479 1.121 20 30 GDEDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)COc1ccc(C#N)c(Br)c1 ZINC000556177322 650699510 /nfs/dbraw/zinc/69/95/10/650699510.db2.gz DCLDASUSTYHHKT-UHFFFAOYSA-N 2 0 397.317 1.651 20 30 GDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCNS(=O)(=O)c1cccc(Cl)c1 ZINC000303785679 645238849 /nfs/dbraw/zinc/23/88/49/645238849.db2.gz QNHRSWWVJBAZBM-AWEZNQCLSA-N 2 0 387.937 1.007 20 30 GDEDRP CNC(=O)C[N@@H+]1CCCC12CCN(c1ncc3c(c1C#N)CCC[NH2+]C3)CC2 ZINC001164682800 719697918 /nfs/dbraw/zinc/69/79/18/719697918.db2.gz DGNXGZFKKPSQPT-UHFFFAOYSA-N 2 0 382.512 1.170 20 30 GDEDRP C[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N(C)Cc1ccc(Br)cc1 ZINC000262783978 645139019 /nfs/dbraw/zinc/13/90/19/645139019.db2.gz LTDGCBABZNGXCH-MRXNPFEDSA-N 2 0 380.334 1.456 20 30 GDEDRP C[NH+]1CCN(c2ccc(C=[NH+]NCc3ccc(-c4nn[nH]n4)cc3)cc2)CC1 ZINC000826038021 608218174 /nfs/dbraw/zinc/21/81/74/608218174.db2.gz GJBSDZWDQMHUDH-UHFFFAOYSA-N 2 0 376.468 1.742 20 30 GDEDRP C[NH+]=C(NC[C@@H](O)c1cc(Cl)cc(Cl)c1)NC[C@H]1C[N@H+](C)CCN1C ZINC000261787834 531099414 /nfs/dbraw/zinc/09/94/14/531099414.db2.gz FZECCPXEAFOULG-JKSUJKDBSA-N 2 0 388.343 1.438 20 30 GDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCNS(=O)(=O)c1ccc(Cl)s1 ZINC000130672570 644740690 /nfs/dbraw/zinc/74/06/90/644740690.db2.gz AYQJCVIVSIOOQD-LLVKDONJSA-N 2 0 393.966 1.068 20 30 GDEDRP FC1(F)[C@H]2C[N@H+](CCN3CC[NH2+]CC3)C[C@H]2C(F)(F)C(F)(F)C1(F)F ZINC000923530360 656563708 /nfs/dbraw/zinc/56/37/08/656563708.db2.gz DJEJLHAWOHJIEW-AOOOYVTPSA-N 2 0 381.311 1.994 20 30 GDEDRP N#Cc1c2c(cnc1N1CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C1)C[NH2+]CCC2 ZINC001164738613 720608763 /nfs/dbraw/zinc/60/87/63/720608763.db2.gz CBVHQUZMAPDWGU-IAGOWNOFSA-N 2 0 391.479 1.121 20 30 GDEDRP C[NH+]=C(NC[C@H](O)c1cc(Cl)cc(Cl)c1)NC[C@@H]1C[N@H+](C)CCN1C ZINC000261787825 531099235 /nfs/dbraw/zinc/09/92/35/531099235.db2.gz FZECCPXEAFOULG-CVEARBPZSA-N 2 0 388.343 1.438 20 30 GDEDRP C[NH+]=C(NC[C@H]1C[N@H+](C)CCN1C)N(C)Cc1ccc(Br)cc1 ZINC000262749608 531129156 /nfs/dbraw/zinc/12/91/56/531129156.db2.gz BLFZIXVNINKFTF-INIZCTEOSA-N 2 0 382.350 1.702 20 30 GDEDRP N#Cc1c2c(cnc1N1CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C1)C[NH2+]CCC2 ZINC001164738615 720610178 /nfs/dbraw/zinc/61/01/78/720610178.db2.gz CBVHQUZMAPDWGU-IRXDYDNUSA-N 2 0 391.479 1.121 20 30 GDEDRP C[NH+]=C(NC[C@H]1C[NH+]2CCN1CC2)N(C)Cc1ccccc1Br ZINC000262744276 645137240 /nfs/dbraw/zinc/13/72/40/645137240.db2.gz DFLLZYSJGUQZNI-HNNXBMFYSA-N 2 0 380.334 1.456 20 30 GDEDRP N#Cc1c2c(cnc1N1CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C1)C[NH2+]CCC2 ZINC001164738617 720609520 /nfs/dbraw/zinc/60/95/20/720609520.db2.gz CBVHQUZMAPDWGU-SJORKVTESA-N 2 0 391.479 1.121 20 30 GDEDRP C[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N(C)Cc1ccccc1Br ZINC000262744278 645137168 /nfs/dbraw/zinc/13/71/68/645137168.db2.gz DFLLZYSJGUQZNI-OAHLLOKOSA-N 2 0 380.334 1.456 20 30 GDEDRP C=C(Br)CNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000726243600 654849647 /nfs/dbraw/zinc/84/96/47/654849647.db2.gz BHRYGCPLPJUYKY-UHFFFAOYSA-N 2 0 382.306 1.802 20 30 GDEDRP CC(C)N(C)Cc1nn(-c2ncc3c(c2C#N)CCC[NH2+]C3)c2c1CC[NH2+]C2 ZINC001164683257 719604045 /nfs/dbraw/zinc/60/40/45/719604045.db2.gz HZDYPFPWDNFFHM-UHFFFAOYSA-N 2 0 379.512 1.661 20 30 GDEDRP C[NH+]=C(NC[C@H]1C[N@H+](C)CCN1C)N(C)Cc1ccccc1Br ZINC000262759074 531129344 /nfs/dbraw/zinc/12/93/44/531129344.db2.gz FMACNMVXKIAQCU-HNNXBMFYSA-N 2 0 382.350 1.702 20 30 GDEDRP C[NH+]=C(NC[C@H]1C[NH+]2CCN1CC2)N(C)Cc1ccc(Br)s1 ZINC000262777304 645138263 /nfs/dbraw/zinc/13/82/63/645138263.db2.gz JUBOUZFXMVDLTC-LBPRGKRZSA-N 2 0 386.363 1.518 20 30 GDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCNC(=O)c1cccc(Br)c1 ZINC000303971411 645239349 /nfs/dbraw/zinc/23/93/49/645239349.db2.gz DQJKOGWIAUOBJN-OAHLLOKOSA-N 2 0 396.333 1.568 20 30 GDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCNC(=O)c1cccc(Br)c1 ZINC000303971410 645239504 /nfs/dbraw/zinc/23/95/04/645239504.db2.gz DQJKOGWIAUOBJN-HNNXBMFYSA-N 2 0 396.333 1.568 20 30 GDEDRP C[NH+]=C(NC[C@H](O)c1cc(Cl)cc(Cl)c1)NC[C@H]1C[NH+]2CCN1CC2 ZINC000262032206 645121199 /nfs/dbraw/zinc/12/11/99/645121199.db2.gz XHDLBJMUOWQUAW-HOTGVXAUSA-N 2 0 386.327 1.192 20 30 GDEDRP C[NH+]=C(NC[C@H](C)N1CC[NH+](C)CC1)N(C)Cc1cc(Br)cn1C ZINC000261746625 531097985 /nfs/dbraw/zinc/09/79/85/531097985.db2.gz LIGUZLJBGRCPFE-AWEZNQCLSA-N 2 0 399.381 1.431 20 30 GDEDRP CN(C)C(=O)C[NH+]1CCC2(CCCN2c2ncc3c(c2C#N)CCC[NH2+]C3)CC1 ZINC001165008370 721730211 /nfs/dbraw/zinc/73/02/11/721730211.db2.gz NDPFSQVUIUSDQX-UHFFFAOYSA-N 2 0 396.539 1.512 20 30 GDEDRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)Cc1csc(C#N)c1 ZINC000914030643 660111688 /nfs/dbraw/zinc/11/16/88/660111688.db2.gz CFKKNZOKBGUOIE-INIZCTEOSA-N 2 0 384.571 1.797 20 30 GDEDRP C[NH+](C)C[C@@H]1CN(S(=O)(=O)c2cccc(Cl)c2C#N)C[C@H]1C[NH+](C)C ZINC000867589967 656089507 /nfs/dbraw/zinc/08/95/07/656089507.db2.gz UTZARONUHVXKBZ-ZIAGYGMSSA-N 2 0 384.933 1.572 20 30 GDEDRP N#Cc1c(Br)cccc1S(=O)(=O)N(CCC[NH3+])CCC[NH3+] ZINC000420451919 532015847 /nfs/dbraw/zinc/01/58/47/532015847.db2.gz IKHMJGJREPBJAC-UHFFFAOYSA-N 2 0 375.292 1.009 20 30 GDEDRP C#CCSCC[NH2+][C@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000271554060 532026048 /nfs/dbraw/zinc/02/60/48/532026048.db2.gz WMMLCTQNBPWIOV-MRXNPFEDSA-N 2 0 383.583 1.934 20 30 GDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCNS(=O)(=O)c1cc(C)sc1C ZINC000151409046 644780337 /nfs/dbraw/zinc/78/03/37/644780337.db2.gz KZWDZOSTLXMSPT-CQSZACIVSA-N 2 0 387.575 1.032 20 30 GDEDRP C[NH+](C)C[C@@H]1CN(S(=O)(=O)c2cc(C#N)ccc2Cl)C[C@H]1C[NH+](C)C ZINC000867591045 656089875 /nfs/dbraw/zinc/08/98/75/656089875.db2.gz YEFUEFQHLNTOJG-HUUCEWRRSA-N 2 0 384.933 1.572 20 30 GDEDRP C[NH+](C)C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2C#N)C[C@H]1C[NH+](C)C ZINC000867588607 656089006 /nfs/dbraw/zinc/08/90/06/656089006.db2.gz FRPCMRURFDHWHH-HUUCEWRRSA-N 2 0 384.933 1.572 20 30 GDEDRP C[NH+](C)C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)cc2Cl)C[C@H]1C[NH+](C)C ZINC000867590331 656089649 /nfs/dbraw/zinc/08/96/49/656089649.db2.gz OQDUTEPOMDFFPO-HUUCEWRRSA-N 2 0 384.933 1.572 20 30 GDEDRP C[NH+]=C(NC[C@H](O)c1cc(Cl)cc(Cl)c1)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000262032205 645121055 /nfs/dbraw/zinc/12/10/55/645121055.db2.gz XHDLBJMUOWQUAW-CVEARBPZSA-N 2 0 386.327 1.192 20 30 GDEDRP C[NH+]=C(NC[C@@H](O)c1cc(Cl)cc(Cl)c1)NC[C@@H]1C[N@H+](C)CCN1C ZINC000261787830 531099503 /nfs/dbraw/zinc/09/95/03/531099503.db2.gz FZECCPXEAFOULG-HZPDHXFCSA-N 2 0 388.343 1.438 20 30 GDEDRP C[NH+]=C(NC[C@@H]1C[N@H+](C)CCN1C)N(C)Cc1ccc(Br)s1 ZINC000262806832 531132063 /nfs/dbraw/zinc/13/20/63/531132063.db2.gz SJCPULKTNGRQFU-GFCCVEGCSA-N 2 0 388.379 1.764 20 30 GDEDRP CC[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N(C)Cc1cc(Br)cn1C ZINC000261859568 645118144 /nfs/dbraw/zinc/11/81/44/645118144.db2.gz ZDCQHRYNOXPEFN-MRXNPFEDSA-N 2 0 397.365 1.185 20 30 GDEDRP C[NH+](C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000330487281 645366432 /nfs/dbraw/zinc/36/64/32/645366432.db2.gz GUVRLXDEGHWRBO-UHFFFAOYSA-N 2 0 384.933 1.858 20 30 GDEDRP CC[NH+](CC)CCN1c2ccc(Br)cc2C(=NNC(N)=[NH2+])C1=O ZINC000750911132 654863979 /nfs/dbraw/zinc/86/39/79/654863979.db2.gz ABIPKPMFQUNAID-UHFFFAOYSA-N 2 0 381.278 1.325 20 30 GDEDRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)Cc1csc(C#N)c1 ZINC000914030644 660111720 /nfs/dbraw/zinc/11/17/20/660111720.db2.gz CFKKNZOKBGUOIE-MRXNPFEDSA-N 2 0 384.571 1.797 20 30 GDEDRP Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ncc5c(c4C#N)CCC[NH2+]C5)C[C@@H]3C2)cn1 ZINC001164770400 721073643 /nfs/dbraw/zinc/07/36/43/721073643.db2.gz PXOVWCYXHRKNAW-HKUYNNGSSA-N 2 0 391.523 1.681 20 30 GDEDRP C[NH+]=C(NC[C@H]1C[N@H+](C)CCN1C)N(C)Cc1ccc(Br)s1 ZINC000262806834 531131768 /nfs/dbraw/zinc/13/17/68/531131768.db2.gz SJCPULKTNGRQFU-LBPRGKRZSA-N 2 0 388.379 1.764 20 30 GDEDRP C[NH+]=C(NCc1ccc(S(N)(=O)=O)s1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000262455762 531120844 /nfs/dbraw/zinc/12/08/44/531120844.db2.gz LBSHJVZHXFRRFX-CYBMUJFWSA-N 2 0 385.559 1.031 20 30 GDEDRP Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ncc5c(c4C#N)CCC[NH2+]C5)C[C@H]3C2)cn1 ZINC001164770420 721073293 /nfs/dbraw/zinc/07/32/93/721073293.db2.gz PXOVWCYXHRKNAW-PKOBYXMFSA-N 2 0 391.523 1.681 20 30 GDEDRP C[NH+]=C(NC[C@@H]1C[N@H+](C)CCN1C)N(C)Cc1cc(Br)cn1C ZINC000261778164 531098750 /nfs/dbraw/zinc/09/87/50/531098750.db2.gz OWFUZUDXLYHNQI-OAHLLOKOSA-N 2 0 385.354 1.041 20 30 GDEDRP C[NH+]=C(NCc1ccc(S(N)(=O)=O)s1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000262455764 531120586 /nfs/dbraw/zinc/12/05/86/531120586.db2.gz LBSHJVZHXFRRFX-ZDUSSCGKSA-N 2 0 385.559 1.031 20 30 GDEDRP C[NH+](C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000330486186 645365763 /nfs/dbraw/zinc/36/57/63/645365763.db2.gz DERPPSOWWVAKQY-UHFFFAOYSA-N 2 0 384.933 1.858 20 30 GDEDRP FC1(F)[C@H]2C[NH+](CCN3CC[NH2+]CC3)C[C@@H]2C(F)(F)C(F)(F)C1(F)F ZINC000923530364 656563611 /nfs/dbraw/zinc/56/36/11/656563611.db2.gz DJEJLHAWOHJIEW-UWVGGRQHSA-N 2 0 381.311 1.994 20 30 GDEDRP C[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N(C)Cc1ccc(Br)s1 ZINC000262777303 645138233 /nfs/dbraw/zinc/13/82/33/645138233.db2.gz JUBOUZFXMVDLTC-GFCCVEGCSA-N 2 0 386.363 1.518 20 30 GDEDRP C[NH+]=C(NC[C@H]1C[N@H+](C)CCN1C)N(C)Cc1cc(Br)cn1C ZINC000261778162 531098285 /nfs/dbraw/zinc/09/82/85/531098285.db2.gz OWFUZUDXLYHNQI-HNNXBMFYSA-N 2 0 385.354 1.041 20 30 GDEDRP C[NH+](C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000155314985 531199383 /nfs/dbraw/zinc/19/93/83/531199383.db2.gz POMYUXUYKDDDAL-UHFFFAOYSA-N 2 0 384.933 1.858 20 30 GDEDRP Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ncc5c(c4C#N)CCC[NH2+]C5)C[C@@H]3C2)cn1 ZINC001164770416 721073546 /nfs/dbraw/zinc/07/35/46/721073546.db2.gz PXOVWCYXHRKNAW-MJGOQNOKSA-N 2 0 391.523 1.681 20 30 GDEDRP CC[NH+]=C(NC[C@H]1C[N@H+](C)CCN1C)N(C)Cc1cc(Br)cn1C ZINC000261788418 531099341 /nfs/dbraw/zinc/09/93/41/531099341.db2.gz QCEZTIBVGLUPBZ-INIZCTEOSA-N 2 0 399.381 1.431 20 30 GDEDRP CC[NH+]=C(NC[C@@H]1C[N@H+](C)CCN1C)N(C)Cc1cc(Br)cn1C ZINC000261788423 531099540 /nfs/dbraw/zinc/09/95/40/531099540.db2.gz QCEZTIBVGLUPBZ-MRXNPFEDSA-N 2 0 399.381 1.431 20 30 GDEDRP N#Cc1ccc(S(=O)(=O)N(CCC[NH3+])CCC[NH3+])cc1Br ZINC000420463490 532018894 /nfs/dbraw/zinc/01/88/94/532018894.db2.gz WNUVJWIJUFKNEN-UHFFFAOYSA-N 2 0 375.292 1.009 20 30 GDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCNS(=O)(=O)c1ccc(Cl)s1 ZINC000130672787 644740521 /nfs/dbraw/zinc/74/05/21/644740521.db2.gz AYQJCVIVSIOOQD-NSHDSACASA-N 2 0 393.966 1.068 20 30 GDEDRP C[NH+]=C(NC[C@@H]1C[N@H+](C)CCN1C)N(C)Cc1ccccc1Br ZINC000262759076 531129454 /nfs/dbraw/zinc/12/94/54/531129454.db2.gz FMACNMVXKIAQCU-OAHLLOKOSA-N 2 0 382.350 1.702 20 30 GDEDRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)c1c(C#N)sc2ccccc21 ZINC000906910764 659616360 /nfs/dbraw/zinc/61/63/60/659616360.db2.gz CLLHCIYQQMLCDC-UHFFFAOYSA-N 2 0 380.539 1.887 20 30 GDEDRP