smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=C(Br)CN1CC[C@@](O)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001278782418 862475662 /nfs/dbraw/zinc/47/56/62/862475662.db2.gz WWVWPOQIXSIRPV-UMVBOHGHSA-N 2 1 360.296 0.788 10 30 FCEEMP C[N@@H+]1CCC[C@H](N2CC[NH+](C[C@H](O)CC3(C#N)CCOCC3)CC2)C1 ZINC001331571972 873149929 /nfs/dbraw/zinc/14/99/29/873149929.db2.gz NRRUCFWSJDTKCU-ZWKOTPCHSA-N 2 1 350.507 0.770 10 30 FCEEMP C[N@H+]1CCC[C@H](N2CC[NH+](C[C@H](O)CC3(C#N)CCOCC3)CC2)C1 ZINC001331571972 873149935 /nfs/dbraw/zinc/14/99/35/873149935.db2.gz NRRUCFWSJDTKCU-ZWKOTPCHSA-N 2 1 350.507 0.770 10 30 FCEEMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+]2CCOC)CC1 ZINC000561121407 491576374 /nfs/dbraw/zinc/57/63/74/491576374.db2.gz NLBOYFVZEVDGMA-KRWDZBQOSA-N 2 1 366.506 0.370 10 30 FCEEMP C=CC[NH+]1CCC(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](CC)C[C@@H]2C)CC1 ZINC000581901115 491789851 /nfs/dbraw/zinc/78/98/51/491789851.db2.gz FTHWYBQBQJELJX-RDJZCZTQSA-N 2 1 350.507 0.942 10 30 FCEEMP C=CCN1CC[C@H]([N@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)C1=O ZINC000662337891 493507947 /nfs/dbraw/zinc/50/79/47/493507947.db2.gz NLAKXQJYKAPZJM-WBVHZDCISA-N 2 1 358.490 0.786 10 30 FCEEMP C[NH+]=C(NC[C@@H]1CCN(S(C)(=O)=O)C1)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000262017148 526371062 /nfs/dbraw/zinc/37/10/62/526371062.db2.gz XYCWLVXKJDRTEG-SOUVJXGZSA-N 2 1 359.540 0.162 10 30 FCEEMP C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCN1C)N1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000261815147 526372727 /nfs/dbraw/zinc/37/27/27/526372727.db2.gz HYXQKZXSRTXDTI-OAHLLOKOSA-N 2 1 352.527 0.139 10 30 FCEEMP C[NH+]=C(NC[C@H]1CCCN1S(C)(=O)=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000262002895 526377768 /nfs/dbraw/zinc/37/77/68/526377768.db2.gz UWRCCRHRAJCDGQ-RRFJBIMHSA-N 2 1 359.540 0.304 10 30 FCEEMP C[NH+]=C(NC[C@]1([NH+](C)C)CCSC1)N1CC[C@H](N2CCOCC2)C1 ZINC000262813027 526379364 /nfs/dbraw/zinc/37/93/64/526379364.db2.gz UXJLHJJKEHDWCQ-DOTOQJQBSA-N 2 1 355.552 0.406 10 30 FCEEMP CC[NH+]=C(NCCN1CCC[N@@H+](C)CC1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261960357 528805271 /nfs/dbraw/zinc/80/52/71/528805271.db2.gz JZEOYCAUAMMGKP-UHFFFAOYSA-N 2 1 373.567 0.098 10 30 FCEEMP C=C(Cl)C[C@H]([NH3+])C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000876780465 672979722 /nfs/dbraw/zinc/97/97/22/672979722.db2.gz GVHYQFXWKSNQJX-AWEZNQCLSA-N 2 1 352.870 0.575 10 30 FCEEMP C=C(CC[NH+](C)C)C(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000900638880 675702609 /nfs/dbraw/zinc/70/26/09/675702609.db2.gz BEPRXCOOPIPGQX-UHFFFAOYSA-N 2 1 350.507 0.897 10 30 FCEEMP C#CC[NH+]1CCC(C(=O)NC[C@H](CC)NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001746160884 1192252419 /nfs/dbraw/zinc/25/24/19/1192252419.db2.gz QPXRQEDZKBOABV-BPQIPLTHSA-N 2 1 362.518 0.683 10 30 FCEEMP C[C@@H](CC[NH2+]CC(=O)NCC#N)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001482875203 1192417362 /nfs/dbraw/zinc/41/73/62/1192417362.db2.gz XZWZVQRZWFGXSR-JQHSSLGASA-N 2 1 371.485 0.456 10 30 FCEEMP C#CCNC(=O)CN(C)C[C@H](C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001268744782 1187768303 /nfs/dbraw/zinc/76/83/03/1187768303.db2.gz CAVQILWGYSZNIL-UHOSZYNNSA-N 2 1 370.497 0.518 10 30 FCEEMP C#CCNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001268744782 1187768308 /nfs/dbraw/zinc/76/83/08/1187768308.db2.gz CAVQILWGYSZNIL-UHOSZYNNSA-N 2 1 370.497 0.518 10 30 FCEEMP C#CCNC(=O)C[N@H+](C)C[C@H](C)NC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001268744782 1187768312 /nfs/dbraw/zinc/76/83/12/1187768312.db2.gz CAVQILWGYSZNIL-UHOSZYNNSA-N 2 1 370.497 0.518 10 30 FCEEMP C#CCNC(=O)C[NH+](C)C[C@H](C)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001268744782 1187768318 /nfs/dbraw/zinc/76/83/18/1187768318.db2.gz CAVQILWGYSZNIL-UHOSZYNNSA-N 2 1 370.497 0.518 10 30 FCEEMP C#CCNC(=O)C[NH+](C)C[C@H](C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001268744782 1187768322 /nfs/dbraw/zinc/76/83/22/1187768322.db2.gz CAVQILWGYSZNIL-UHOSZYNNSA-N 2 1 370.497 0.518 10 30 FCEEMP C#CCN(C(=O)C(=O)NC[C@H]1CC[N@H+]1C1CCCC1)C1CC[NH+](C)CC1 ZINC000910887949 1195858343 /nfs/dbraw/zinc/85/83/43/1195858343.db2.gz WHPOSQJHQJCNHF-GOSISDBHSA-N 2 1 360.502 0.676 10 30 FCEEMP C#CC[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(C[C@@H]3CCC[N@@H+]3CC)C2)CC1 ZINC000928654933 1211608336 /nfs/dbraw/zinc/60/83/36/1211608336.db2.gz IHVVLEPGIGWWSX-AEFFLSMTSA-N 2 1 360.502 0.533 10 30 FCEEMP C#CCN(C(=O)C(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1)C1CC[NH+](C)CC1 ZINC000929694356 1211655782 /nfs/dbraw/zinc/65/57/82/1211655782.db2.gz KEXDKXSWNPXHKI-DLBZAZTESA-N 2 1 362.518 0.779 10 30 FCEEMP C=CC[C@H]1CC[NH+]1CC(=O)N1CCN(C(=O)C[N@@H+]2CC[C@@H]2CC=C)CC1 ZINC000934470832 1211862747 /nfs/dbraw/zinc/86/27/47/1211862747.db2.gz FWVFRJJDZUIAOW-ROUUACIJSA-N 2 1 360.502 0.958 10 30 FCEEMP C=C(C)Cn1c(C2=[NH+]O[C@H](CO)C2)nnc1N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC001122591773 1222283259 /nfs/dbraw/zinc/28/32/59/1222283259.db2.gz SSBRYLUWISWRSY-OFQRWUPVSA-N 2 1 360.462 0.870 10 30 FCEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCCN(CC)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001294479278 1262733780 /nfs/dbraw/zinc/73/37/80/1262733780.db2.gz NCYREBQEPGSPEH-KURKYZTESA-N 2 1 362.518 0.779 10 30 FCEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCN(CC)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001294479278 1262733787 /nfs/dbraw/zinc/73/37/87/1262733787.db2.gz NCYREBQEPGSPEH-KURKYZTESA-N 2 1 362.518 0.779 10 30 FCEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCCN(CC)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001294479278 1262733792 /nfs/dbraw/zinc/73/37/92/1262733792.db2.gz NCYREBQEPGSPEH-KURKYZTESA-N 2 1 362.518 0.779 10 30 FCEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCCN(CC)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001294479278 1262733797 /nfs/dbraw/zinc/73/37/97/1262733797.db2.gz NCYREBQEPGSPEH-KURKYZTESA-N 2 1 362.518 0.779 10 30 FCEEMP C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)[C@@H]1CCC[NH2+]CC(=O)NCC#N ZINC001479589918 1263266519 /nfs/dbraw/zinc/26/65/19/1263266519.db2.gz NLXLQUWABQKKKZ-BRWVUGGUSA-N 2 1 363.506 0.717 10 30 FCEEMP C#CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC[NH+]([C@H](C)C(=O)N(C)C)CC1 ZINC001483983956 1263452342 /nfs/dbraw/zinc/45/23/42/1263452342.db2.gz GPJBGQQDQWGGJK-JFIYKMOQSA-N 2 1 362.518 0.730 10 30 FCEEMP C[C@@H]1[C@H](C(=O)NCc2ccc(CC[NH2+]CC(=O)NCC#N)cc2)CC[N@H+]1C ZINC001317366119 1263508603 /nfs/dbraw/zinc/50/86/03/1263508603.db2.gz JKMZBOOQTNJTTG-CRAIPNDOSA-N 2 1 371.485 0.415 10 30 FCEEMP C#CCNC(=O)[C@H](C)[NH2+]Cc1ccc(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1 ZINC001318991523 1263635943 /nfs/dbraw/zinc/63/59/43/1263635943.db2.gz VTVDKLHQZYRBRK-FRQCXROJSA-N 2 1 370.497 0.871 10 30 FCEEMP C#CCNC(=O)C[NH2+][C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccccc1 ZINC001493889032 1263745013 /nfs/dbraw/zinc/74/50/13/1263745013.db2.gz MPSTYUQMCUTKPZ-KBAYOESNSA-N 2 1 356.470 0.523 10 30 FCEEMP C#CCNC(=O)C[NH2+][C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccccc1 ZINC001493889032 1263745018 /nfs/dbraw/zinc/74/50/18/1263745018.db2.gz MPSTYUQMCUTKPZ-KBAYOESNSA-N 2 1 356.470 0.523 10 30 FCEEMP C[C@@H](CN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)[NH2+]CC(=O)NCC#N ZINC001507124614 1264351396 /nfs/dbraw/zinc/35/13/96/1264351396.db2.gz MTAVFCPRGDRRGK-JQHSSLGASA-N 2 1 371.485 0.408 10 30 FCEEMP C#CCNC(=O)[C@H](C)[NH+]1CCC(C)(NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001324318688 1264618363 /nfs/dbraw/zinc/61/83/63/1264618363.db2.gz OOXWQJLPUGEWBA-YESZJQIVSA-N 2 1 362.518 0.825 10 30 FCEEMP C[C@@H]1[C@H](C(=O)NC[C@]2(O)CCN(CC#Cc3ccccc3)C2)CC[N@H+]1C ZINC001325097288 1264774586 /nfs/dbraw/zinc/77/45/86/1264774586.db2.gz LMYWDPLXLLAHMG-YFVAEKQCSA-N 2 1 355.482 0.931 10 30 FCEEMP C[C@@H]1[C@H](C(=O)NC[C@]2(O)CC[NH+](CC#Cc3ccccc3)C2)CC[N@@H+]1C ZINC001325097288 1264774592 /nfs/dbraw/zinc/77/45/92/1264774592.db2.gz LMYWDPLXLLAHMG-YFVAEKQCSA-N 2 1 355.482 0.931 10 30 FCEEMP C[C@@H]1[C@H](C(=O)NC[C@]2(O)CC[NH+](CC#Cc3ccccc3)C2)CC[N@H+]1C ZINC001325097288 1264774595 /nfs/dbraw/zinc/77/45/95/1264774595.db2.gz LMYWDPLXLLAHMG-YFVAEKQCSA-N 2 1 355.482 0.931 10 30 FCEEMP C[C@@H]1[C@H](C(=O)NC[C@]2(O)CC[N@H+](CC#Cc3ccccc3)C2)CC[NH+]1C ZINC001325097288 1264774601 /nfs/dbraw/zinc/77/46/01/1264774601.db2.gz LMYWDPLXLLAHMG-YFVAEKQCSA-N 2 1 355.482 0.931 10 30 FCEEMP C[C@@H]1[C@H](C(=O)NC[C@]2(O)CC[N@@H+](CC#Cc3ccccc3)C2)CC[NH+]1C ZINC001325097288 1264774611 /nfs/dbraw/zinc/77/46/11/1264774611.db2.gz LMYWDPLXLLAHMG-YFVAEKQCSA-N 2 1 355.482 0.931 10 30 FCEEMP CC#CC[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001325138679 1264784972 /nfs/dbraw/zinc/78/49/72/1264784972.db2.gz VTYIEILDYLMGDH-SVFBPWRDSA-N 2 1 355.482 0.908 10 30 FCEEMP CC#CC[NH+]1CC[C@@](O)(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001325138679 1264784976 /nfs/dbraw/zinc/78/49/76/1264784976.db2.gz VTYIEILDYLMGDH-SVFBPWRDSA-N 2 1 355.482 0.908 10 30 FCEEMP CC#CC[NH+]1CC[C@@](O)(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001325138679 1264784980 /nfs/dbraw/zinc/78/49/80/1264784980.db2.gz VTYIEILDYLMGDH-SVFBPWRDSA-N 2 1 355.482 0.908 10 30 FCEEMP C#CCNC(=O)C[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001565987993 1269541083 /nfs/dbraw/zinc/54/10/83/1269541083.db2.gz NIIPFEAZKCOUKP-FGTMMUONSA-N 2 1 362.518 0.684 10 30 FCEEMP C=CCN1CC[C@@H]([N@H+]2CC[C@@H]3CN(C(=O)CCC[NH+](C)C)C[C@@H]3C2)C1=O ZINC001566048371 1269581286 /nfs/dbraw/zinc/58/12/86/1269581286.db2.gz LEGCQQSRBGZLLV-FGTMMUONSA-N 2 1 362.518 0.895 10 30 FCEEMP C=CCNC(=O)[C@@H](C)[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001570052074 1269833242 /nfs/dbraw/zinc/83/32/42/1269833242.db2.gz HPOIHDXOJGRSRF-BRWVUGGUSA-N 2 1 362.518 0.942 10 30 FCEEMP C=CCNC(=O)C[NH+](C)C[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001713890325 1287306380 /nfs/dbraw/zinc/30/63/80/1287306380.db2.gz GXKLWXHXQURQEZ-BRWVUGGUSA-N 2 1 350.507 0.799 10 30 FCEEMP C=CCNC(=O)C[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001713890325 1287306382 /nfs/dbraw/zinc/30/63/82/1287306382.db2.gz GXKLWXHXQURQEZ-BRWVUGGUSA-N 2 1 350.507 0.799 10 30 FCEEMP C=CCNC(=O)C[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001713890325 1287306387 /nfs/dbraw/zinc/30/63/87/1287306387.db2.gz GXKLWXHXQURQEZ-BRWVUGGUSA-N 2 1 350.507 0.799 10 30 FCEEMP C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[N@H+](C)CCC ZINC001707168697 1286489105 /nfs/dbraw/zinc/48/91/05/1286489105.db2.gz RYIOQADTKBZJRV-IKGGRYGDSA-N 2 1 350.507 0.683 10 30 FCEEMP C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@H]1C ZINC001707266009 1287124019 /nfs/dbraw/zinc/12/40/19/1287124019.db2.gz DSZCGFWKDRATHQ-IKGGRYGDSA-N 2 1 350.507 0.942 10 30 FCEEMP C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@H]1C ZINC001707266009 1287124023 /nfs/dbraw/zinc/12/40/23/1287124023.db2.gz DSZCGFWKDRATHQ-IKGGRYGDSA-N 2 1 350.507 0.942 10 30 FCEEMP C=C(C)CN(CC)C(=O)C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@H]1C ZINC001707266009 1287124029 /nfs/dbraw/zinc/12/40/29/1287124029.db2.gz DSZCGFWKDRATHQ-IKGGRYGDSA-N 2 1 350.507 0.942 10 30 FCEEMP C=C(C)CN(CC)C(=O)C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001707266009 1287124032 /nfs/dbraw/zinc/12/40/32/1287124032.db2.gz DSZCGFWKDRATHQ-IKGGRYGDSA-N 2 1 350.507 0.942 10 30 FCEEMP C#CC[NH+]1CCC[C@H]1C(=O)N(CCC)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001737861669 1289599637 /nfs/dbraw/zinc/59/96/37/1289599637.db2.gz OLSJEARREFGBDA-KURKYZTESA-N 2 1 362.518 0.779 10 30 FCEEMP C#CC[NH+]1CCC[C@H]1C(=O)N(CCC)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001737861669 1289599644 /nfs/dbraw/zinc/59/96/44/1289599644.db2.gz OLSJEARREFGBDA-KURKYZTESA-N 2 1 362.518 0.779 10 30 FCEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(CCC)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001737861669 1289599653 /nfs/dbraw/zinc/59/96/53/1289599653.db2.gz OLSJEARREFGBDA-KURKYZTESA-N 2 1 362.518 0.779 10 30 FCEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCC)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001737861669 1289599660 /nfs/dbraw/zinc/59/96/60/1289599660.db2.gz OLSJEARREFGBDA-KURKYZTESA-N 2 1 362.518 0.779 10 30 FCEEMP N#CC1(C[C@H](O)C[NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)CCOCC1 ZINC001331852376 873274619 /nfs/dbraw/zinc/27/46/19/873274619.db2.gz XHBVHZCJSZPGMA-HOTGVXAUSA-N 2 1 352.479 0.235 10 30 FCEEMP N#CC1(C[C@H](O)C[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CCOCC1 ZINC001331852373 873275399 /nfs/dbraw/zinc/27/53/99/873275399.db2.gz XHBVHZCJSZPGMA-CVEARBPZSA-N 2 1 352.479 0.235 10 30 FCEEMP CN(C)C(=O)CNC(N[C@@H]1CC[N@H+](C2CCCC2)C1)=[NH+]C1CCOCC1 ZINC000262317044 229302175 /nfs/dbraw/zinc/30/21/75/229302175.db2.gz QXXWNWZAMMKYAQ-MRXNPFEDSA-N 2 1 365.522 0.806 10 30 FCEEMP CN1CCO[C@@H]2CCN(C(=O)NCCN3CC[N@@H+](C)C(C)(C)C3)C[C@@H]21 ZINC000328876003 488946220 /nfs/dbraw/zinc/94/62/20/488946220.db2.gz KAEKWCGPFIBTDC-JKSUJKDBSA-N 2 1 353.511 0.331 10 30 FCEEMP C=CC[C@@H]1CC[N@H+](CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)C1 ZINC000625705645 492866065 /nfs/dbraw/zinc/86/60/65/492866065.db2.gz WRLMGCIHNFNQKN-OAHLLOKOSA-N 2 1 369.473 0.910 10 30 FCEEMP C[NH+]=C(NCC[N@H+]1CCCC[C@H]1C)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261771554 526355677 /nfs/dbraw/zinc/35/56/77/526355677.db2.gz PGYZHEFNNCJSRM-OAHLLOKOSA-N 2 1 361.494 0.519 10 30 FCEEMP C[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000262429754 526371474 /nfs/dbraw/zinc/37/14/74/526371474.db2.gz SFZIGTZRKVFLMZ-HOTGVXAUSA-N 2 1 356.536 0.851 10 30 FCEEMP C[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000262429754 526371475 /nfs/dbraw/zinc/37/14/75/526371475.db2.gz SFZIGTZRKVFLMZ-HOTGVXAUSA-N 2 1 356.536 0.851 10 30 FCEEMP CC[N@H+]1CCC[C@@H]1CN(C)C(NCC1CCN(S(C)(=O)=O)CC1)=[NH+]C ZINC000162277974 529058305 /nfs/dbraw/zinc/05/83/05/529058305.db2.gz APUZOOWHZLCAPK-MRXNPFEDSA-N 2 1 373.567 0.650 10 30 FCEEMP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)CC1 ZINC000930006281 673991809 /nfs/dbraw/zinc/99/18/09/673991809.db2.gz DNDKURFPOVBOET-HZPDHXFCSA-N 2 1 366.531 0.449 10 30 FCEEMP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCC[N@H+]3CCSC[C@H]23)CC1 ZINC000930006281 673991811 /nfs/dbraw/zinc/99/18/11/673991811.db2.gz DNDKURFPOVBOET-HZPDHXFCSA-N 2 1 366.531 0.449 10 30 FCEEMP CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001267267999 1179163686 /nfs/dbraw/zinc/16/36/86/1179163686.db2.gz VDBXEEJZJJQLCZ-IXDOHACOSA-N 2 1 363.506 0.669 10 30 FCEEMP CCN(CCC#N)C(=O)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001267267999 1179163691 /nfs/dbraw/zinc/16/36/91/1179163691.db2.gz VDBXEEJZJJQLCZ-IXDOHACOSA-N 2 1 363.506 0.669 10 30 FCEEMP CCN(CCC#N)C(=O)C[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001267267999 1179163698 /nfs/dbraw/zinc/16/36/98/1179163698.db2.gz VDBXEEJZJJQLCZ-IXDOHACOSA-N 2 1 363.506 0.669 10 30 FCEEMP CCN(CCC#N)C(=O)C[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001267267999 1179163706 /nfs/dbraw/zinc/16/37/06/1179163706.db2.gz VDBXEEJZJJQLCZ-IXDOHACOSA-N 2 1 363.506 0.669 10 30 FCEEMP C=CCN1CC[C@@H]([NH+](CC)CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1=O ZINC001480975687 1181859690 /nfs/dbraw/zinc/85/96/90/1181859690.db2.gz DMIGNKYSZSHMBK-GVDBMIGSSA-N 2 1 350.507 0.942 10 30 FCEEMP C=CCN1CC[C@@H]([N@@H+](CC)CCNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1=O ZINC001480975687 1181859691 /nfs/dbraw/zinc/85/96/91/1181859691.db2.gz DMIGNKYSZSHMBK-GVDBMIGSSA-N 2 1 350.507 0.942 10 30 FCEEMP C=CCN1CC[C@@H]([N@H+](CC)CCNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1=O ZINC001480975687 1181859695 /nfs/dbraw/zinc/85/96/95/1181859695.db2.gz DMIGNKYSZSHMBK-GVDBMIGSSA-N 2 1 350.507 0.942 10 30 FCEEMP C=C1[C@H](C(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)[C@@H]1C(=O)N1CC[C@H]2C[NH+](C)C[C@H]21 ZINC000908350464 1195740136 /nfs/dbraw/zinc/74/01/36/1195740136.db2.gz ZENYDDRDOBFKCZ-XFZGEKFBSA-N 2 1 358.486 0.114 10 30 FCEEMP C=C1[C@H](C(=O)N2CC[C@@H]3C[NH+](C)C[C@@H]32)[C@@H]1C(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000908350464 1195740147 /nfs/dbraw/zinc/74/01/47/1195740147.db2.gz ZENYDDRDOBFKCZ-XFZGEKFBSA-N 2 1 358.486 0.114 10 30 FCEEMP C=C1[C@H](C(=O)N2CC[C@@H]3C[NH+](C)C[C@@H]32)[C@@H]1C(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000908350464 1195740153 /nfs/dbraw/zinc/74/01/53/1195740153.db2.gz ZENYDDRDOBFKCZ-XFZGEKFBSA-N 2 1 358.486 0.114 10 30 FCEEMP C#CCN(C(=O)C(=O)N(C)CC[C@H]1CCCC[N@H+]1C)C1CC[NH+](C)CC1 ZINC000910885248 1195857462 /nfs/dbraw/zinc/85/74/62/1195857462.db2.gz JPQSHBQTWBYFEM-QGZVFWFLSA-N 2 1 362.518 0.875 10 30 FCEEMP O=C(C#CC1CC[NH2+]CC1)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000852863357 1209568448 /nfs/dbraw/zinc/56/84/48/1209568448.db2.gz DORCWDTYGMWYCM-UHFFFAOYSA-N 2 1 368.481 0.450 10 30 FCEEMP C#CC[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(C[C@@H]3CCC[N@@H+]3CC)C2)CC1 ZINC000928654937 1211608128 /nfs/dbraw/zinc/60/81/28/1211608128.db2.gz IHVVLEPGIGWWSX-WMZOPIPTSA-N 2 1 360.502 0.533 10 30 FCEEMP C#CC[N@@H+](CCO[C@H]1CCOC1)C1CCN(CCO[C@@H]2CCOC2)CC1 ZINC000931590139 1211761901 /nfs/dbraw/zinc/76/19/01/1211761901.db2.gz GNZQGIFOPGKPQV-UXHICEINSA-N 2 1 366.502 0.997 10 30 FCEEMP C#CCN(CCO[C@H]1CCOC1)C1CC[NH+](CCO[C@@H]2CCOC2)CC1 ZINC000931590139 1211761905 /nfs/dbraw/zinc/76/19/05/1211761905.db2.gz GNZQGIFOPGKPQV-UXHICEINSA-N 2 1 366.502 0.997 10 30 FCEEMP C=C1[C@H](C(=O)NC[C@@H]2CC[NH+](CC)C2)[C@H]1C(=O)NC[C@@H]1CC[N@H+](CC)C1 ZINC000900307514 1217977820 /nfs/dbraw/zinc/97/78/20/1217977820.db2.gz KYHRLYWAQDXAPT-XSLAGTTESA-N 2 1 362.518 0.705 10 30 FCEEMP C#CC[N@H+](CC[C@@H]1CCNC1=O)C1CC[NH+](CC[C@H]2CCNC2=O)CC1 ZINC001331158887 1266160690 /nfs/dbraw/zinc/16/06/90/1266160690.db2.gz USCJOTXMMNLOEP-SJORKVTESA-N 2 1 360.502 0.438 10 30 FCEEMP C#CCNC(=O)C[NH2+]CCN(Cc1ccccc1)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001279304531 1260830696 /nfs/dbraw/zinc/83/06/96/1260830696.db2.gz KCCGYHKWYHGZAW-IEBWSBKVSA-N 2 1 370.497 0.694 10 30 FCEEMP C[C@@]1(C#N)CCCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)C1 ZINC001332461440 1266409837 /nfs/dbraw/zinc/40/98/37/1266409837.db2.gz FPSTXSZBFXXKHG-QKLQHJQFSA-N 2 1 373.501 0.566 10 30 FCEEMP C[C@@]1(C#N)CCCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)C1 ZINC001332461440 1266409840 /nfs/dbraw/zinc/40/98/40/1266409840.db2.gz FPSTXSZBFXXKHG-QKLQHJQFSA-N 2 1 373.501 0.566 10 30 FCEEMP C[C@@H]1[C@H](C(=O)NC2(C3CC[NH+](CC(=O)NCC#N)CC3)CC2)CC[N@@H+]1C ZINC001284842671 1261792666 /nfs/dbraw/zinc/79/26/66/1261792666.db2.gz MYSMVJSMAWLHGH-GDBMZVCRSA-N 2 1 361.490 0.327 10 30 FCEEMP C[C@@H]1[C@H](C(=O)NC2(C3CC[NH+](CC(=O)NCC#N)CC3)CC2)CC[N@H+]1C ZINC001284842671 1261792669 /nfs/dbraw/zinc/79/26/69/1261792669.db2.gz MYSMVJSMAWLHGH-GDBMZVCRSA-N 2 1 361.490 0.327 10 30 FCEEMP C#CCN1CCN(c2nnc(C)n2C[C@@H](C(C)C)N2CCOCC2)CC1 ZINC001300683959 1262994603 /nfs/dbraw/zinc/99/46/03/1262994603.db2.gz UZXRAJYVNFOVFN-SFHVURJKSA-N 2 1 360.506 0.699 10 30 FCEEMP C=CCNC(=O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001479562774 1263255702 /nfs/dbraw/zinc/25/57/02/1263255702.db2.gz ZJWOQXVZVOREFJ-WCXIOVBPSA-N 2 1 350.507 0.846 10 30 FCEEMP C=CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@@H]2C1 ZINC001479674466 1263340640 /nfs/dbraw/zinc/34/06/40/1263340640.db2.gz DSUPRNOBNOYGTF-MSOLQXFVSA-N 2 1 362.518 0.945 10 30 FCEEMP CCN(CCC#N)C(=O)C[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC001479718148 1263386199 /nfs/dbraw/zinc/38/61/99/1263386199.db2.gz QHEBFUHXCKLDAO-WBVHZDCISA-N 2 1 363.506 0.669 10 30 FCEEMP CCN(CCC#N)C(=O)C[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC001479718148 1263386206 /nfs/dbraw/zinc/38/62/06/1263386206.db2.gz QHEBFUHXCKLDAO-WBVHZDCISA-N 2 1 363.506 0.669 10 30 FCEEMP C=CCN1CC[C@H]([NH+](C)CCCN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1=O ZINC001484742229 1263485077 /nfs/dbraw/zinc/48/50/77/1263485077.db2.gz AASPSZZMNBGPGK-ZACQAIPSSA-N 2 1 350.507 0.894 10 30 FCEEMP C=CCN1CC[C@H]([N@@H+](C)CCCN(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1=O ZINC001484742229 1263485081 /nfs/dbraw/zinc/48/50/81/1263485081.db2.gz AASPSZZMNBGPGK-ZACQAIPSSA-N 2 1 350.507 0.894 10 30 FCEEMP C=CCN1CC[C@H]([N@H+](C)CCCN(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1=O ZINC001484742229 1263485084 /nfs/dbraw/zinc/48/50/84/1263485084.db2.gz AASPSZZMNBGPGK-ZACQAIPSSA-N 2 1 350.507 0.894 10 30 FCEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCCNC(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001492849508 1263676524 /nfs/dbraw/zinc/67/65/24/1263676524.db2.gz FRMNYSZILKFQAX-ZACQAIPSSA-N 2 1 371.485 0.586 10 30 FCEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCCNC(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001492849508 1263676535 /nfs/dbraw/zinc/67/65/35/1263676535.db2.gz FRMNYSZILKFQAX-ZACQAIPSSA-N 2 1 371.485 0.586 10 30 FCEEMP CC[C@@H]1[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc2cc(F)ccc2C#N)CC[N@@H+]1C ZINC001496978956 1263906346 /nfs/dbraw/zinc/90/63/46/1263906346.db2.gz MESUIEOGVBWGGR-FGTMMUONSA-N 2 1 362.449 0.994 10 30 FCEEMP CC[C@@H]1[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc2cc(F)ccc2C#N)CC[N@H+]1C ZINC001496978956 1263906353 /nfs/dbraw/zinc/90/63/53/1263906353.db2.gz MESUIEOGVBWGGR-FGTMMUONSA-N 2 1 362.449 0.994 10 30 FCEEMP C#CCNC(=O)C[NH+](C)[C@@H](C)CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001506005817 1264285778 /nfs/dbraw/zinc/28/57/78/1264285778.db2.gz IZDMGDAXCUZAHU-UHOSZYNNSA-N 2 1 370.497 0.518 10 30 FCEEMP C#CCNC(=O)C[NH+](C)[C@@H](C)CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001506005817 1264285783 /nfs/dbraw/zinc/28/57/83/1264285783.db2.gz IZDMGDAXCUZAHU-UHOSZYNNSA-N 2 1 370.497 0.518 10 30 FCEEMP C#CCNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001506005817 1264285791 /nfs/dbraw/zinc/28/57/91/1264285791.db2.gz IZDMGDAXCUZAHU-UHOSZYNNSA-N 2 1 370.497 0.518 10 30 FCEEMP C#CCNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001506005817 1264285795 /nfs/dbraw/zinc/28/57/95/1264285795.db2.gz IZDMGDAXCUZAHU-UHOSZYNNSA-N 2 1 370.497 0.518 10 30 FCEEMP CC[C@@H]1[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc2cc(C#N)ccc2F)CC[N@@H+]1C ZINC001507197893 1264355687 /nfs/dbraw/zinc/35/56/87/1264355687.db2.gz JENBSRWNPMZUAB-SOLBZPMBSA-N 2 1 362.449 0.994 10 30 FCEEMP CC[C@@H]1[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc2cc(C#N)ccc2F)CC[N@H+]1C ZINC001507197893 1264355697 /nfs/dbraw/zinc/35/56/97/1264355697.db2.gz JENBSRWNPMZUAB-SOLBZPMBSA-N 2 1 362.449 0.994 10 30 FCEEMP C=CC[C@@H]1CCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)C1 ZINC001333168012 1266545885 /nfs/dbraw/zinc/54/58/85/1266545885.db2.gz FLSZZAYAVCDENA-NXHRZFHOSA-N 2 1 360.502 0.838 10 30 FCEEMP C=CC[C@@H]1CCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)C1 ZINC001333168012 1266545890 /nfs/dbraw/zinc/54/58/90/1266545890.db2.gz FLSZZAYAVCDENA-NXHRZFHOSA-N 2 1 360.502 0.838 10 30 FCEEMP C#CC[NH2+]CC1(O)CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001570422252 1269881982 /nfs/dbraw/zinc/88/19/82/1269881982.db2.gz ROQOPMWLCSFLPI-MOPGFXCFSA-N 2 1 355.482 0.908 10 30 FCEEMP C=CCNC(=O)C[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CC2 ZINC001714365698 1287320237 /nfs/dbraw/zinc/32/02/37/1287320237.db2.gz JDOORRKLRWMQMN-IAGOWNOFSA-N 2 1 362.518 0.943 10 30 FCEEMP C=CCNC(=O)C[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CC2 ZINC001714365698 1287320243 /nfs/dbraw/zinc/32/02/43/1287320243.db2.gz JDOORRKLRWMQMN-IAGOWNOFSA-N 2 1 362.518 0.943 10 30 FCEEMP C=CCNC(=O)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CC2 ZINC001714365698 1287320246 /nfs/dbraw/zinc/32/02/46/1287320246.db2.gz JDOORRKLRWMQMN-IAGOWNOFSA-N 2 1 362.518 0.943 10 30 FCEEMP C#CCNC(=O)C[NH2+]CCc1ccc(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1 ZINC001714424205 1287320507 /nfs/dbraw/zinc/32/05/07/1287320507.db2.gz IYABVBDVALFNSG-VQIMIIECSA-N 2 1 370.497 0.525 10 30 FCEEMP C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001707160571 1286483533 /nfs/dbraw/zinc/48/35/33/1286483533.db2.gz OCYHMAMAZQOMGN-RYRKJORJSA-N 2 1 362.518 0.825 10 30 FCEEMP C=CCOCC[NH+](CCO)[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001707210429 1287036107 /nfs/dbraw/zinc/03/61/07/1287036107.db2.gz FMTKSCIFKULFPX-FGTMMUONSA-N 2 1 353.507 0.815 10 30 FCEEMP C=CCOCC[N@@H+](CCO)[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001707210429 1287036120 /nfs/dbraw/zinc/03/61/20/1287036120.db2.gz FMTKSCIFKULFPX-FGTMMUONSA-N 2 1 353.507 0.815 10 30 FCEEMP C=CCOCC[N@H+](CCO)[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001707210429 1287036131 /nfs/dbraw/zinc/03/61/31/1287036131.db2.gz FMTKSCIFKULFPX-FGTMMUONSA-N 2 1 353.507 0.815 10 30 FCEEMP C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@@H]2C1 ZINC001707221162 1287064757 /nfs/dbraw/zinc/06/47/57/1287064757.db2.gz KYZBEKOLIQTMGQ-ZACQAIPSSA-N 2 1 360.502 0.246 10 30 FCEEMP CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001731661150 1288562548 /nfs/dbraw/zinc/56/25/48/1288562548.db2.gz YHSWFLKYAIBCIZ-IXDOHACOSA-N 2 1 363.506 0.527 10 30 FCEEMP C#CCNC(=O)[C@H](C)[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CCCC1 ZINC001732393034 1288582715 /nfs/dbraw/zinc/58/27/15/1288582715.db2.gz ZGUUZFJRPBFRGP-YESZJQIVSA-N 2 1 362.518 0.873 10 30 FCEEMP C[C@@H]1[C@H](C(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH2+]CC(=O)NCC#N)CC[N@@H+]1C ZINC001700347146 1289594282 /nfs/dbraw/zinc/59/42/82/1289594282.db2.gz SQDLCWJYLCODGW-LRCYWBKYSA-N 2 1 369.469 0.338 10 30 FCEEMP C[C@@H]1[C@H](C(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH2+]CC(=O)NCC#N)CC[N@H+]1C ZINC001700347146 1289594292 /nfs/dbraw/zinc/59/42/92/1289594292.db2.gz SQDLCWJYLCODGW-LRCYWBKYSA-N 2 1 369.469 0.338 10 30 FCEEMP C#CC[NH+]1CCC(C(=O)N[C@H](C)CN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001701625146 1289672151 /nfs/dbraw/zinc/67/21/51/1289672151.db2.gz RFCLSGXVMKQSLI-JFIYKMOQSA-N 2 1 362.518 0.635 10 30 FCEEMP C=C(C[NH+](C)C)C(=O)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC001629757736 1290623770 /nfs/dbraw/zinc/62/37/70/1290623770.db2.gz CXEQQMCMLMAACN-UHFFFAOYSA-N 2 1 366.506 0.181 10 30 FCEEMP C#CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001665849657 1291886150 /nfs/dbraw/zinc/88/61/50/1291886150.db2.gz DMKMCHPNZRLZRR-OTWHNJEPSA-N 2 1 370.497 0.566 10 30 FCEEMP CC[C@@H]1[C@@H](C(=O)NC2(C[NH2+]CC#CCOC)CCOCC2)CC[N@H+]1C ZINC001673726931 1292121651 /nfs/dbraw/zinc/12/16/51/1292121651.db2.gz AINMYBRPGYIPEI-DLBZAZTESA-N 2 1 351.491 0.622 10 30 FCEEMP C=CC[C@@]1(C(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)CCC[NH2+]1 ZINC001262045758 858765925 /nfs/dbraw/zinc/76/59/25/858765925.db2.gz AKHNMRPZEOWPFN-MJGOQNOKSA-N 2 1 350.507 0.598 10 30 FCEEMP CC[C@@H]1[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)CC[N@@H+]1CC(=O)NCC#N ZINC001264062659 859294929 /nfs/dbraw/zinc/29/49/29/859294929.db2.gz NPXWVTFYYIWESQ-LSDHHAIUSA-N 2 1 351.495 0.573 10 30 FCEEMP CC[C@@H]1[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)CC[N@H+]1CC(=O)NCC#N ZINC001264062659 859294936 /nfs/dbraw/zinc/29/49/36/859294936.db2.gz NPXWVTFYYIWESQ-LSDHHAIUSA-N 2 1 351.495 0.573 10 30 FCEEMP CC[C@@H]1[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)CC[NH+]1CC(=O)NCC#N ZINC001264062659 859294945 /nfs/dbraw/zinc/29/49/45/859294945.db2.gz NPXWVTFYYIWESQ-LSDHHAIUSA-N 2 1 351.495 0.573 10 30 FCEEMP CC[C@@H]1[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)CC[NH+]1CC(=O)NCC#N ZINC001264062659 859294954 /nfs/dbraw/zinc/29/49/54/859294954.db2.gz NPXWVTFYYIWESQ-LSDHHAIUSA-N 2 1 351.495 0.573 10 30 FCEEMP C=CCOCCN1CC(N2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1 ZINC001274474840 860759435 /nfs/dbraw/zinc/75/94/35/860759435.db2.gz YGDZRGUQLABMAW-SJLPKXTDSA-N 2 1 350.507 0.358 10 30 FCEEMP C=CCOCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1 ZINC001274474840 860759439 /nfs/dbraw/zinc/75/94/39/860759439.db2.gz YGDZRGUQLABMAW-SJLPKXTDSA-N 2 1 350.507 0.358 10 30 FCEEMP C=CCOCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1 ZINC001274474840 860759443 /nfs/dbraw/zinc/75/94/43/860759443.db2.gz YGDZRGUQLABMAW-SJLPKXTDSA-N 2 1 350.507 0.358 10 30 FCEEMP C#CC[NH+]1CCC(C(=O)N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000066858834 488338414 /nfs/dbraw/zinc/33/84/14/488338414.db2.gz ASVPXBZWYZVWIX-UHFFFAOYSA-N 2 1 374.529 0.734 10 30 FCEEMP OC[C@@H]1CN(CC#CC[N@@H+]2CCC(F)(F)[C@H](CO)C2)CCC1(F)F ZINC000463229278 490006191 /nfs/dbraw/zinc/00/61/91/490006191.db2.gz CDLINSGRUIZCNA-KBPBESRZSA-N 2 1 352.372 0.889 10 30 FCEEMP OC[C@@H]1CN(CC#CC[N@H+]2CCC(F)(F)[C@H](CO)C2)CCC1(F)F ZINC000463229278 490006194 /nfs/dbraw/zinc/00/61/94/490006194.db2.gz CDLINSGRUIZCNA-KBPBESRZSA-N 2 1 352.372 0.889 10 30 FCEEMP C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)C1=O ZINC000662337889 493507970 /nfs/dbraw/zinc/50/79/70/493507970.db2.gz NLAKXQJYKAPZJM-NVXWUHKLSA-N 2 1 358.490 0.786 10 30 FCEEMP C[NH+]=C(NCCN1CCC[N@@H+](C)CC1)N[C@H]1CC[NH+](C2CCCC2)C1 ZINC000262981442 526356672 /nfs/dbraw/zinc/35/66/72/526356672.db2.gz UDWRFFPKRXGHAB-KRWDZBQOSA-N 3 1 350.555 0.806 10 30 FCEEMP C[NH+]=C(NCCN1CCC[NH+](C)CC1)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000262981442 526356678 /nfs/dbraw/zinc/35/66/78/526356678.db2.gz UDWRFFPKRXGHAB-KRWDZBQOSA-N 3 1 350.555 0.806 10 30 FCEEMP C[NH+]=C(NCCN1CCC[NH+](C)CC1)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000262981442 526356682 /nfs/dbraw/zinc/35/66/82/526356682.db2.gz UDWRFFPKRXGHAB-KRWDZBQOSA-N 3 1 350.555 0.806 10 30 FCEEMP C[NH+]=C(NC[C@](C)(O)C[NH+]1CCOCC1)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000262392022 526378494 /nfs/dbraw/zinc/37/84/94/526378494.db2.gz MKZKGTRCCUMRKJ-BORJPKMPSA-N 2 1 354.495 0.048 10 30 FCEEMP C[C@@H]1CCCC[N@H+]1CC(N)=NOCC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000151533379 666620403 /nfs/dbraw/zinc/62/04/03/666620403.db2.gz FVJGOERGTQPKCC-CQSZACIVSA-N 2 1 351.495 0.893 10 30 FCEEMP CCN(CCC#N)C(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001270050845 1187978620 /nfs/dbraw/zinc/97/86/20/1187978620.db2.gz PNSYMFZVQOLZSF-BRWVUGGUSA-N 2 1 363.506 0.669 10 30 FCEEMP N#CCCCC[C@@H]([NH3+])C(=O)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000594439133 1196722011 /nfs/dbraw/zinc/72/20/11/1196722011.db2.gz SQWLBEOJAAKMLE-GOSISDBHSA-N 2 1 371.485 0.858 10 30 FCEEMP C=CCNC(=O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001489047610 1208603650 /nfs/dbraw/zinc/60/36/50/1208603650.db2.gz BVMFMCYSZXBNPM-IKGGRYGDSA-N 2 1 350.507 0.847 10 30 FCEEMP N#Cc1ccc(NC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)cc1 ZINC000927835378 1211583972 /nfs/dbraw/zinc/58/39/72/1211583972.db2.gz SAKKRTVDBFRBHX-HDICACEKSA-N 2 1 367.453 0.924 10 30 FCEEMP N#Cc1ccc(NC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)cc1 ZINC000927835378 1211583973 /nfs/dbraw/zinc/58/39/73/1211583973.db2.gz SAKKRTVDBFRBHX-HDICACEKSA-N 2 1 367.453 0.924 10 30 FCEEMP N#Cc1ccsc1NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000927834654 1211584238 /nfs/dbraw/zinc/58/42/38/1211584238.db2.gz LFFLFSBXKSCJKH-GASCZTMLSA-N 2 1 373.482 0.985 10 30 FCEEMP N#Cc1ccsc1NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000927834654 1211584240 /nfs/dbraw/zinc/58/42/40/1211584240.db2.gz LFFLFSBXKSCJKH-GASCZTMLSA-N 2 1 373.482 0.985 10 30 FCEEMP C#CCN(C(=O)C(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1)C1CC[NH+](C)CC1 ZINC000929694364 1211655791 /nfs/dbraw/zinc/65/57/91/1211655791.db2.gz KEXDKXSWNPXHKI-SJORKVTESA-N 2 1 362.518 0.779 10 30 FCEEMP C=C1[C@H](C(=O)NCC2=CC[NH+](C)CC2)[C@H]1C(=O)NCC1=CC[N@@H+](C)CC1 ZINC000901331292 1218114676 /nfs/dbraw/zinc/11/46/76/1218114676.db2.gz SECSFZAXVDCGSA-ROUUACIJSA-N 2 1 358.486 0.545 10 30 FCEEMP C=C1[C@H](C(=O)NCCn2cc[nH+]c2C)[C@H]1C(=O)NCCn1cc[nH+]c1C ZINC000900448406 1245474336 /nfs/dbraw/zinc/47/43/36/1245474336.db2.gz KRDMTWMOZVZDTG-HOTGVXAUSA-N 2 1 356.430 0.431 10 30 FCEEMP C#CC[NH+]1CCC(NC(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000916073569 1245531633 /nfs/dbraw/zinc/53/16/33/1245531633.db2.gz VTWDECVVAJJBSS-QGZVFWFLSA-N 2 1 363.506 0.326 10 30 FCEEMP C#CC[NH+]1CCC(NC(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000916073567 1245531905 /nfs/dbraw/zinc/53/19/05/1245531905.db2.gz VTWDECVVAJJBSS-KRWDZBQOSA-N 2 1 363.506 0.326 10 30 FCEEMP N#Cc1ccc(OC[C@H](O)C[N@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000923413033 1245717966 /nfs/dbraw/zinc/71/79/66/1245717966.db2.gz CJFBATMZRAHYJD-AHCXZYCDSA-N 2 1 372.425 0.165 10 30 FCEEMP CN(C)C(=O)CC[NH+]1CCC([NH2+]C[C@H](O)CC2(C#N)CCOCC2)CC1 ZINC001329594751 1265789022 /nfs/dbraw/zinc/78/90/22/1265789022.db2.gz CEGJATOEOBOLSX-QGZVFWFLSA-N 2 1 366.506 0.590 10 30 FCEEMP C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@H]1C ZINC001316794459 1263484251 /nfs/dbraw/zinc/48/42/51/1263484251.db2.gz OJXYMXHWKUBPLA-QAPCUYQASA-N 2 1 362.518 0.990 10 30 FCEEMP C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@H]1C ZINC001316794459 1263484255 /nfs/dbraw/zinc/48/42/55/1263484255.db2.gz OJXYMXHWKUBPLA-QAPCUYQASA-N 2 1 362.518 0.990 10 30 FCEEMP C#CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001317461657 1263514355 /nfs/dbraw/zinc/51/43/55/1263514355.db2.gz PLQQHABTRXHTIG-UHOSZYNNSA-N 2 1 370.497 0.518 10 30 FCEEMP C#CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001317461657 1263514365 /nfs/dbraw/zinc/51/43/65/1263514365.db2.gz PLQQHABTRXHTIG-UHOSZYNNSA-N 2 1 370.497 0.518 10 30 FCEEMP C#CCNC(=O)[C@H](C)[NH+](C)CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001317461657 1263514373 /nfs/dbraw/zinc/51/43/73/1263514373.db2.gz PLQQHABTRXHTIG-UHOSZYNNSA-N 2 1 370.497 0.518 10 30 FCEEMP C#CCNC(=O)[C@H](C)[NH+](C)CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001317461657 1263514380 /nfs/dbraw/zinc/51/43/80/1263514380.db2.gz PLQQHABTRXHTIG-UHOSZYNNSA-N 2 1 370.497 0.518 10 30 FCEEMP C[C@@H]1[C@H](C(=O)NC[C@@H]([NH2+]CC(=O)NCC#N)c2ccccc2)CC[N@@H+]1C ZINC001493888068 1263744844 /nfs/dbraw/zinc/74/48/44/1263744844.db2.gz BFQSFGISVUDHGV-DJIMGWMZSA-N 2 1 357.458 0.413 10 30 FCEEMP C[C@@H]1[C@H](C(=O)NC[C@@H]([NH2+]CC(=O)NCC#N)c2ccccc2)CC[N@H+]1C ZINC001493888068 1263744846 /nfs/dbraw/zinc/74/48/46/1263744846.db2.gz BFQSFGISVUDHGV-DJIMGWMZSA-N 2 1 357.458 0.413 10 30 FCEEMP C[C@@H]1[C@H](C(=O)N2CCC[C@]3(CC[NH+](CC(=O)NCC#N)C3)C2)CC[N@@H+]1C ZINC001502543447 1264175803 /nfs/dbraw/zinc/17/58/03/1264175803.db2.gz GJHZVPBPDQXBAD-GPMSIDNRSA-N 2 1 361.490 0.281 10 30 FCEEMP C[C@@H]1[C@H](C(=O)N2CCC[C@]3(CC[NH+](CC(=O)NCC#N)C3)C2)CC[N@H+]1C ZINC001502543447 1264175812 /nfs/dbraw/zinc/17/58/12/1264175812.db2.gz GJHZVPBPDQXBAD-GPMSIDNRSA-N 2 1 361.490 0.281 10 30 FCEEMP C[C@@H]1[C@H](C(=O)N2CCC[C@]3(CC[N@H+](CC(=O)NCC#N)C3)C2)CC[NH+]1C ZINC001502543447 1264175817 /nfs/dbraw/zinc/17/58/17/1264175817.db2.gz GJHZVPBPDQXBAD-GPMSIDNRSA-N 2 1 361.490 0.281 10 30 FCEEMP C[C@@H]1[C@H](C(=O)N2CCC[C@]3(CC[N@@H+](CC(=O)NCC#N)C3)C2)CC[NH+]1C ZINC001502543447 1264175825 /nfs/dbraw/zinc/17/58/25/1264175825.db2.gz GJHZVPBPDQXBAD-GPMSIDNRSA-N 2 1 361.490 0.281 10 30 FCEEMP C#CCNC(=O)C[NH+](C)[C@H](C)CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001506005816 1264286145 /nfs/dbraw/zinc/28/61/45/1264286145.db2.gz IZDMGDAXCUZAHU-QRQLOZEOSA-N 2 1 370.497 0.518 10 30 FCEEMP C#CCNC(=O)C[NH+](C)[C@H](C)CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001506005816 1264286151 /nfs/dbraw/zinc/28/61/51/1264286151.db2.gz IZDMGDAXCUZAHU-QRQLOZEOSA-N 2 1 370.497 0.518 10 30 FCEEMP C#CCNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001506005816 1264286158 /nfs/dbraw/zinc/28/61/58/1264286158.db2.gz IZDMGDAXCUZAHU-QRQLOZEOSA-N 2 1 370.497 0.518 10 30 FCEEMP C#CCNC(=O)C[N@H+](C)[C@H](C)CNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001506005816 1264286169 /nfs/dbraw/zinc/28/61/69/1264286169.db2.gz IZDMGDAXCUZAHU-QRQLOZEOSA-N 2 1 370.497 0.518 10 30 FCEEMP CC#CC[N@H+]1CC[C@](O)(CNC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001325138678 1264785042 /nfs/dbraw/zinc/78/50/42/1264785042.db2.gz VTYIEILDYLMGDH-DYXWJJEUSA-N 2 1 355.482 0.908 10 30 FCEEMP CC#CC[NH+]1CC[C@](O)(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001325138678 1264785049 /nfs/dbraw/zinc/78/50/49/1264785049.db2.gz VTYIEILDYLMGDH-DYXWJJEUSA-N 2 1 355.482 0.908 10 30 FCEEMP CC#CC[NH+]1CC[C@](O)(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001325138678 1264785054 /nfs/dbraw/zinc/78/50/54/1264785054.db2.gz VTYIEILDYLMGDH-DYXWJJEUSA-N 2 1 355.482 0.908 10 30 FCEEMP C#CCNC(=O)[C@H](C)[NH+]1C[C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C[C@H]2C1 ZINC001325740258 1264982184 /nfs/dbraw/zinc/98/21/84/1264982184.db2.gz FUMRXGWBRGDQRA-IECFSIQFSA-N 2 1 360.502 0.245 10 30 FCEEMP C#CCNC(=O)[C@H](C)[N@H+]1C[C@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C[C@H]2C1 ZINC001325740258 1264982187 /nfs/dbraw/zinc/98/21/87/1264982187.db2.gz FUMRXGWBRGDQRA-IECFSIQFSA-N 2 1 360.502 0.245 10 30 FCEEMP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C[C@H]2C1 ZINC001325740258 1264982192 /nfs/dbraw/zinc/98/21/92/1264982192.db2.gz FUMRXGWBRGDQRA-IECFSIQFSA-N 2 1 360.502 0.245 10 30 FCEEMP C=CCn1c(C2CC[NH+](CCO)CC2)nnc1N1CC[NH+](C2CC2)CC1 ZINC001340414425 1268539239 /nfs/dbraw/zinc/53/92/39/1268539239.db2.gz HUGYDJDWKUUTSJ-UHFFFAOYSA-N 2 1 360.506 0.920 10 30 FCEEMP C=CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]2C1 ZINC001566047912 1269578321 /nfs/dbraw/zinc/57/83/21/1269578321.db2.gz UAFVYSWKFZWMMA-SJORKVTESA-N 2 1 362.518 0.943 10 30 FCEEMP C[C@@H](CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)[NH2+]CC(=O)NCC#N ZINC001567230830 1269682062 /nfs/dbraw/zinc/68/20/62/1269682062.db2.gz SGVBOMNESVFHEK-JQHSSLGASA-N 2 1 371.485 0.456 10 30 FCEEMP C#CCNC(=O)C[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001715142116 1287345828 /nfs/dbraw/zinc/34/58/28/1287345828.db2.gz PRIULMIYIGWPOJ-FGTMMUONSA-N 2 1 362.518 0.684 10 30 FCEEMP C[C@@H](C[NH2+]CC(=O)NCC#N)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001716453050 1287379920 /nfs/dbraw/zinc/37/99/20/1287379920.db2.gz JLRHGQYKHQSVMS-UAGQMJEPSA-N 2 1 357.458 0.066 10 30 FCEEMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C[NH2+]CC(=O)NCC#N)C2CCCC2)CC[N@H+]1C ZINC001716816751 1287391242 /nfs/dbraw/zinc/39/12/42/1287391242.db2.gz AQTCBHOBUASRTF-YESZJQIVSA-N 2 1 363.506 0.621 10 30 FCEEMP C#CCC[NH2+]CCC(=O)NC[C@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001718001772 1287452679 /nfs/dbraw/zinc/45/26/79/1287452679.db2.gz XOFIPYATHBWSLL-KZNAEPCWSA-N 2 1 362.518 0.827 10 30 FCEEMP C#CC[NH+]1CCC(C(=O)N(C)C[C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001680025854 1283392277 /nfs/dbraw/zinc/39/22/77/1283392277.db2.gz KCXMWBRDCAZLMV-LZLYRXPVSA-N 2 1 362.518 0.635 10 30 FCEEMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@H]2C)CC1 ZINC001682914002 1283804969 /nfs/dbraw/zinc/80/49/69/1283804969.db2.gz VUGCKUFQBXIPQY-SJLPKXTDSA-N 2 1 362.518 0.635 10 30 FCEEMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC(=O)NCCC)[C@@H]2CC)CC1 ZINC001707205866 1286514659 /nfs/dbraw/zinc/51/46/59/1286514659.db2.gz YZHNOWPTIZYQMZ-ZWKOTPCHSA-N 2 1 362.518 0.827 10 30 FCEEMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC(=O)NCCC)[C@@H]2CC)CC1 ZINC001707205866 1286514664 /nfs/dbraw/zinc/51/46/64/1286514664.db2.gz YZHNOWPTIZYQMZ-ZWKOTPCHSA-N 2 1 362.518 0.827 10 30 FCEEMP COCC#CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001707215000 1287044879 /nfs/dbraw/zinc/04/48/79/1287044879.db2.gz ZYICUGTYZKLWIT-KZNAEPCWSA-N 2 1 351.491 0.262 10 30 FCEEMP COCC#CC[NH+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001707215000 1287044889 /nfs/dbraw/zinc/04/48/89/1287044889.db2.gz ZYICUGTYZKLWIT-KZNAEPCWSA-N 2 1 351.491 0.262 10 30 FCEEMP COCC#CC[NH+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001707215000 1287044900 /nfs/dbraw/zinc/04/49/00/1287044900.db2.gz ZYICUGTYZKLWIT-KZNAEPCWSA-N 2 1 351.491 0.262 10 30 FCEEMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@@H+](CCOCCO)CC[C@@H]3C2)CC1 ZINC001707226920 1287074147 /nfs/dbraw/zinc/07/41/47/1287074147.db2.gz OFHRDERPVCRCOX-MOPGFXCFSA-N 2 1 363.502 0.121 10 30 FCEEMP C#CCNC(=O)C[NH2+][C@H](C)CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001731735190 1288563738 /nfs/dbraw/zinc/56/37/38/1288563738.db2.gz IXYHUAOGPYYJQO-QRQLOZEOSA-N 2 1 370.497 0.566 10 30 FCEEMP CC[C@@H]1[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc2ccc(C#N)s2)CC[N@H+]1C ZINC001732643305 1288586689 /nfs/dbraw/zinc/58/66/89/1288586689.db2.gz BHVONCKZBDSTLQ-UHOFOFEASA-N 2 1 350.488 0.917 10 30 FCEEMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(C#N)s2)CC[N@H+]1C ZINC001732643308 1288587388 /nfs/dbraw/zinc/58/73/88/1288587388.db2.gz BHVONCKZBDSTLQ-VBNZEHGJSA-N 2 1 350.488 0.917 10 30 FCEEMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C2CC[NH+](CC(=O)NCC#N)CC2)CC[N@@H+]1C ZINC001734583766 1288660377 /nfs/dbraw/zinc/66/03/77/1288660377.db2.gz BASMBLVKSFSFGF-BHYGNILZSA-N 2 1 363.506 0.573 10 30 FCEEMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C2CC[NH+](CC(=O)NCC#N)CC2)CC[N@H+]1C ZINC001734583766 1288660381 /nfs/dbraw/zinc/66/03/81/1288660381.db2.gz BASMBLVKSFSFGF-BHYGNILZSA-N 2 1 363.506 0.573 10 30 FCEEMP C=CCNC(=O)C[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001673381593 1292105594 /nfs/dbraw/zinc/10/55/94/1292105594.db2.gz SZBWNUGBTDNBQJ-IXDOHACOSA-N 2 1 350.507 0.990 10 30 FCEEMP C=CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001673381593 1292105597 /nfs/dbraw/zinc/10/55/97/1292105597.db2.gz SZBWNUGBTDNBQJ-IXDOHACOSA-N 2 1 350.507 0.990 10 30 FCEEMP C=CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001673381593 1292105602 /nfs/dbraw/zinc/10/56/02/1292105602.db2.gz SZBWNUGBTDNBQJ-IXDOHACOSA-N 2 1 350.507 0.990 10 30 FCEEMP CC[C@@H]1[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc2ccc(C#N)s2)CC[N@H+]1C ZINC001676535238 1292206031 /nfs/dbraw/zinc/20/60/31/1292206031.db2.gz JESBMAMBFXEHHI-UHOFOFEASA-N 2 1 350.488 0.917 10 30 FCEEMP C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[N@H+](C)C(C)C ZINC001264010282 859279535 /nfs/dbraw/zinc/27/95/35/859279535.db2.gz SKISOYFPXGQEQA-ZACQAIPSSA-N 2 1 350.507 0.681 10 30 FCEEMP CCO[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1C[NH2+]CC#CCOC ZINC001316691071 867400332 /nfs/dbraw/zinc/40/03/32/867400332.db2.gz SBGVZGQLBOXPQS-FGTMMUONSA-N 2 1 351.491 0.574 10 30 FCEEMP CC(=O)NC[C@H]1CCC[NH+](CC#CC[N@@H+]2CCC[C@H](CNC(C)=O)C2)C1 ZINC000472751485 250179138 /nfs/dbraw/zinc/17/91/38/250179138.db2.gz PGRPDXSXJFPECI-WOJBJXKFSA-N 2 1 362.518 0.686 10 30 FCEEMP CCc1nsc(N2CCN(C(NC[C@@H]3CCC[N@H+]3C)=[NH+]C)CC2)n1 ZINC000261810962 229289422 /nfs/dbraw/zinc/28/94/22/229289422.db2.gz SNQLWTFUIHBIBG-ZDUSSCGKSA-N 2 1 351.524 0.892 10 30 FCEEMP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000329138055 488973041 /nfs/dbraw/zinc/97/30/41/488973041.db2.gz DMPGYGQDEXUPEX-IAGOWNOFSA-N 2 1 367.538 0.721 10 30 FCEEMP C[NH+]=C(NC[C@@H]1C[N@@H+](CC(C)C)CCO1)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000261744564 526372884 /nfs/dbraw/zinc/37/28/84/526372884.db2.gz LCNZXMVKPRHWHA-APWZRJJASA-N 2 1 365.522 0.521 10 30 FCEEMP C[NH+]=C(NC[C@H]1CCCN1S(C)(=O)=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000262002891 526376980 /nfs/dbraw/zinc/37/69/80/526376980.db2.gz UWRCCRHRAJCDGQ-RBSFLKMASA-N 2 1 359.540 0.304 10 30 FCEEMP C[NH+]=C(NC[C@]1([NH+](C)C)CCSC1)N1CCN(C(=O)C(C)C)CC1 ZINC000262778734 526378325 /nfs/dbraw/zinc/37/83/25/526378325.db2.gz KPKQLEQLCGYZRX-QGZVFWFLSA-N 2 1 355.552 0.799 10 30 FCEEMP CC(C)[NH+](CC#CC[N@@H+](C[C@H]1CCC(=O)N1)C(C)C)C[C@H]1CCC(=O)N1 ZINC000412071781 528856455 /nfs/dbraw/zinc/85/64/55/528856455.db2.gz HWSXQVIRDPBXKE-QZTJIDSGSA-N 2 1 362.518 0.968 10 30 FCEEMP C[C@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)C[NH2+]CC(=O)NCC#N ZINC001270526841 1188187689 /nfs/dbraw/zinc/18/76/89/1188187689.db2.gz WQHAGZPWAKUSAD-JQHSSLGASA-N 2 1 371.485 0.313 10 30 FCEEMP O=C1C[C@]2(CN1)CCC[NH+](CC#CC[N@@H+]1CCC[C@]3(CNC(=O)C3)C1)C2 ZINC000551393749 1193854747 /nfs/dbraw/zinc/85/47/47/1193854747.db2.gz OBLZAJBSRBMPRY-PMACEKPBSA-N 2 1 358.486 0.194 10 30 FCEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CCOCCOC)CC[C@@H]2C1 ZINC001489191374 1208654285 /nfs/dbraw/zinc/65/42/85/1208654285.db2.gz MTNQRPLAEVYCQW-QYZOEREBSA-N 2 1 363.502 0.527 10 30 FCEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CCOCCOC)CC[C@@H]2C1 ZINC001489191374 1208654290 /nfs/dbraw/zinc/65/42/90/1208654290.db2.gz MTNQRPLAEVYCQW-QYZOEREBSA-N 2 1 363.502 0.527 10 30 FCEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCOCCOC)CC[C@@H]2C1 ZINC001489191374 1208654296 /nfs/dbraw/zinc/65/42/96/1208654296.db2.gz MTNQRPLAEVYCQW-QYZOEREBSA-N 2 1 363.502 0.527 10 30 FCEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCOCCOC)CC[C@@H]2C1 ZINC001489191374 1208654304 /nfs/dbraw/zinc/65/43/04/1208654304.db2.gz MTNQRPLAEVYCQW-QYZOEREBSA-N 2 1 363.502 0.527 10 30 FCEEMP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)C[C@@H]2C1 ZINC001489191694 1208655377 /nfs/dbraw/zinc/65/53/77/1208655377.db2.gz RPQBKCHFDBMVLG-BBWFWOEESA-N 2 1 360.502 0.389 10 30 FCEEMP C#CCNC(=O)[C@H](C)[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@@H]2C1 ZINC001489191694 1208655378 /nfs/dbraw/zinc/65/53/78/1208655378.db2.gz RPQBKCHFDBMVLG-BBWFWOEESA-N 2 1 360.502 0.389 10 30 FCEEMP C#CCNC(=O)[C@H](C)[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@@H]2C1 ZINC001489191694 1208655379 /nfs/dbraw/zinc/65/53/79/1208655379.db2.gz RPQBKCHFDBMVLG-BBWFWOEESA-N 2 1 360.502 0.389 10 30 FCEEMP C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)Cn3ccnc3C)C[C@@H]2C1 ZINC001489208253 1208672451 /nfs/dbraw/zinc/67/24/51/1208672451.db2.gz OVAXRPHMGDMFDN-OIISXLGYSA-N 2 1 357.458 0.110 10 30 FCEEMP C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@@H]2C1 ZINC001489208253 1208672453 /nfs/dbraw/zinc/67/24/53/1208672453.db2.gz OVAXRPHMGDMFDN-OIISXLGYSA-N 2 1 357.458 0.110 10 30 FCEEMP C=C1[C@H](C(=O)NC[C@@H]2CC[N@H+](CC)C2)[C@@H]1C(=O)NC[C@@H]1CC[NH+](CC)C1 ZINC000900307513 1217977750 /nfs/dbraw/zinc/97/77/50/1217977750.db2.gz KYHRLYWAQDXAPT-XLAORIBOSA-N 2 1 362.518 0.705 10 30 FCEEMP C=C1[C@H](C(=O)NC[C@@H]2CC[NH+](CC)C2)[C@@H]1C(=O)NC[C@@H]1CC[N@H+](CC)C1 ZINC000900307513 1217977756 /nfs/dbraw/zinc/97/77/56/1217977756.db2.gz KYHRLYWAQDXAPT-XLAORIBOSA-N 2 1 362.518 0.705 10 30 FCEEMP C=C1[C@H](C(=O)NC[C@@H]2CC[NH+](CC)C2)[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](CC)C1 ZINC000900307513 1217977760 /nfs/dbraw/zinc/97/77/60/1217977760.db2.gz KYHRLYWAQDXAPT-XLAORIBOSA-N 2 1 362.518 0.705 10 30 FCEEMP N#C[C@@H]1CCCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)C1 ZINC001332000745 1266312349 /nfs/dbraw/zinc/31/23/49/1266312349.db2.gz MHFXMKJJMRYPHB-BHYGNILZSA-N 2 1 359.474 0.176 10 30 FCEEMP N#C[C@@H]1CCCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)C1 ZINC001332000745 1266312363 /nfs/dbraw/zinc/31/23/63/1266312363.db2.gz MHFXMKJJMRYPHB-BHYGNILZSA-N 2 1 359.474 0.176 10 30 FCEEMP C=CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001265495995 1260414056 /nfs/dbraw/zinc/41/40/56/1260414056.db2.gz KYOOYCQLIJVNGU-MKXGPGLRSA-N 2 1 370.497 0.871 10 30 FCEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C1([NH+](C)C)CCC1)C2 ZINC001282749685 1261608348 /nfs/dbraw/zinc/60/83/48/1261608348.db2.gz NFQVSWUNARWVFT-BDXSIMOUSA-N 2 1 372.513 0.816 10 30 FCEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C2 ZINC001522217679 1266422932 /nfs/dbraw/zinc/42/29/32/1266422932.db2.gz SYZHYCFDXGRJON-FPSMNIFISA-N 2 1 360.502 0.672 10 30 FCEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C2 ZINC001522217679 1266422938 /nfs/dbraw/zinc/42/29/38/1266422938.db2.gz SYZHYCFDXGRJON-FPSMNIFISA-N 2 1 360.502 0.672 10 30 FCEEMP CCO[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2CC)C[C@H]1C[NH2+]CC#CCOC ZINC001479547506 1263248751 /nfs/dbraw/zinc/24/87/51/1263248751.db2.gz UEFFYBHJPPBROW-CEXWTWQISA-N 2 1 365.518 0.964 10 30 FCEEMP CC[C@H](C(=O)N1C[C@@H]2C[N@@H+](CC(=O)NCC#N)CC[C@@H]2C1)[NH+](CC)CC ZINC001316757282 1263462323 /nfs/dbraw/zinc/46/23/23/1263462323.db2.gz RRUPCHQZJLIHSQ-IXDOHACOSA-N 2 1 363.506 0.527 10 30 FCEEMP CC[C@H](C(=O)N1C[C@@H]2C[N@H+](CC(=O)NCC#N)CC[C@@H]2C1)[NH+](CC)CC ZINC001316757282 1263462336 /nfs/dbraw/zinc/46/23/36/1263462336.db2.gz RRUPCHQZJLIHSQ-IXDOHACOSA-N 2 1 363.506 0.527 10 30 FCEEMP C#CCNC(=O)[C@H](C)[NH+]1CC[C@@H]2CN(C(=O)CC[N@H+](C)CCC)C[C@@H]2C1 ZINC001316758829 1263463218 /nfs/dbraw/zinc/46/32/18/1263463218.db2.gz NQIIPUIQOFBMOT-KSZLIROESA-N 2 1 362.518 0.637 10 30 FCEEMP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)CCC)C[C@@H]2C1 ZINC001316758829 1263463219 /nfs/dbraw/zinc/46/32/19/1263463219.db2.gz NQIIPUIQOFBMOT-KSZLIROESA-N 2 1 362.518 0.637 10 30 FCEEMP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)CCC)C[C@@H]2C1 ZINC001316758829 1263463222 /nfs/dbraw/zinc/46/32/22/1263463222.db2.gz NQIIPUIQOFBMOT-KSZLIROESA-N 2 1 362.518 0.637 10 30 FCEEMP C#CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001317461650 1263513456 /nfs/dbraw/zinc/51/34/56/1263513456.db2.gz PLQQHABTRXHTIG-QRQLOZEOSA-N 2 1 370.497 0.518 10 30 FCEEMP C#CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001317461650 1263513463 /nfs/dbraw/zinc/51/34/63/1263513463.db2.gz PLQQHABTRXHTIG-QRQLOZEOSA-N 2 1 370.497 0.518 10 30 FCEEMP C#CCNC(=O)[C@@H](C)[NH+](C)CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001317461650 1263513465 /nfs/dbraw/zinc/51/34/65/1263513465.db2.gz PLQQHABTRXHTIG-QRQLOZEOSA-N 2 1 370.497 0.518 10 30 FCEEMP C#CCNC(=O)[C@@H](C)[NH+](C)CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001317461650 1263513477 /nfs/dbraw/zinc/51/34/77/1263513477.db2.gz PLQQHABTRXHTIG-QRQLOZEOSA-N 2 1 370.497 0.518 10 30 FCEEMP C#CCNC(=O)[C@H](C)[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CCCC1 ZINC001319361598 1263684244 /nfs/dbraw/zinc/68/42/44/1263684244.db2.gz IVPUSUFLGQTSGG-RRFJBIMHSA-N 2 1 357.458 0.670 10 30 FCEEMP C#CCNC(=O)C[NH2+]C/C=C/CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001497684120 1263948728 /nfs/dbraw/zinc/94/87/28/1263948728.db2.gz XEGBHEAXXVGMIL-ZSQQTYLHSA-N 2 1 368.481 0.343 10 30 FCEEMP C[C@@H]1[C@H](C(=O)NCc2ccccc2C[NH+](C)CC(=O)NCC#N)CC[N@@H+]1C ZINC001501663529 1264142269 /nfs/dbraw/zinc/14/22/69/1264142269.db2.gz VSQYNZZFRMNONH-CRAIPNDOSA-N 2 1 371.485 0.715 10 30 FCEEMP C[C@@H]1[C@H](C(=O)NCc2ccccc2C[NH+](C)CC(=O)NCC#N)CC[N@H+]1C ZINC001501663529 1264142273 /nfs/dbraw/zinc/14/22/73/1264142273.db2.gz VSQYNZZFRMNONH-CRAIPNDOSA-N 2 1 371.485 0.715 10 30 FCEEMP C[C@@H]1[C@H](C(=O)NCc2ccccc2C[N@H+](C)CC(=O)NCC#N)CC[NH+]1C ZINC001501663529 1264142276 /nfs/dbraw/zinc/14/22/76/1264142276.db2.gz VSQYNZZFRMNONH-CRAIPNDOSA-N 2 1 371.485 0.715 10 30 FCEEMP C[C@@H]1[C@H](C(=O)NCc2ccccc2C[N@@H+](C)CC(=O)NCC#N)CC[NH+]1C ZINC001501663529 1264142278 /nfs/dbraw/zinc/14/22/78/1264142278.db2.gz VSQYNZZFRMNONH-CRAIPNDOSA-N 2 1 371.485 0.715 10 30 FCEEMP C=C1[C@H](C(=O)N2C[C@H]3CC[N@H+](C)[C@H]3C2)[C@H]1C(=O)N1C[C@@H]2CC[NH+](C)[C@@H]2C1 ZINC001334183225 1266871511 /nfs/dbraw/zinc/87/15/11/1266871511.db2.gz VMBWFUQVJMEUPF-IZPLOLCNSA-N 2 1 358.486 0.114 10 30 FCEEMP C=C1[C@H](C(=O)N2C[C@H]3CC[NH+](C)[C@H]3C2)[C@H]1C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC001334183225 1266871522 /nfs/dbraw/zinc/87/15/22/1266871522.db2.gz VMBWFUQVJMEUPF-IZPLOLCNSA-N 2 1 358.486 0.114 10 30 FCEEMP C=C1[C@H](C(=O)N2C[C@H]3CC[NH+](C)[C@H]3C2)[C@H]1C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC001334183225 1266871536 /nfs/dbraw/zinc/87/15/36/1266871536.db2.gz VMBWFUQVJMEUPF-IZPLOLCNSA-N 2 1 358.486 0.114 10 30 FCEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CC(=O)N(C)CC)CC[C@@H]2C1 ZINC001566044155 1269574646 /nfs/dbraw/zinc/57/46/46/1269574646.db2.gz GKQHBHTVBZBIPA-SQNIBIBYSA-N 2 1 360.502 0.343 10 30 FCEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CC(=O)N(C)CC)CC[C@@H]2C1 ZINC001566044155 1269574652 /nfs/dbraw/zinc/57/46/52/1269574652.db2.gz GKQHBHTVBZBIPA-SQNIBIBYSA-N 2 1 360.502 0.343 10 30 FCEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC(=O)N(C)CC)CC[C@@H]2C1 ZINC001566044155 1269574663 /nfs/dbraw/zinc/57/46/63/1269574663.db2.gz GKQHBHTVBZBIPA-SQNIBIBYSA-N 2 1 360.502 0.343 10 30 FCEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC(=O)N(C)CC)CC[C@@H]2C1 ZINC001566044155 1269574671 /nfs/dbraw/zinc/57/46/71/1269574671.db2.gz GKQHBHTVBZBIPA-SQNIBIBYSA-N 2 1 360.502 0.343 10 30 FCEEMP C=CCNC(=O)C[NH+]1CCC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001714036575 1287310591 /nfs/dbraw/zinc/31/05/91/1287310591.db2.gz UOJKTQYWROZQGU-IXDOHACOSA-N 2 1 350.507 0.847 10 30 FCEEMP C=CCNC(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001714036575 1287310595 /nfs/dbraw/zinc/31/05/95/1287310595.db2.gz UOJKTQYWROZQGU-IXDOHACOSA-N 2 1 350.507 0.847 10 30 FCEEMP C=CCNC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001714036575 1287310597 /nfs/dbraw/zinc/31/05/97/1287310597.db2.gz UOJKTQYWROZQGU-IXDOHACOSA-N 2 1 350.507 0.847 10 30 FCEEMP CCN(CCC#N)C(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001715325276 1287350398 /nfs/dbraw/zinc/35/03/98/1287350398.db2.gz CDRZYUCASRAFAQ-ARFHVFGLSA-N 2 1 351.495 0.525 10 30 FCEEMP C#CCC[NH2+]CCC(=O)NC[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001718001771 1287452652 /nfs/dbraw/zinc/45/26/52/1287452652.db2.gz XOFIPYATHBWSLL-FGTMMUONSA-N 2 1 362.518 0.827 10 30 FCEEMP C#CCNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001707114494 1286453159 /nfs/dbraw/zinc/45/31/59/1286453159.db2.gz CCVNMYQZBMVZNY-JKSUJKDBSA-N 2 1 359.474 0.630 10 30 FCEEMP CN(CCC[NH2+]CC(=O)NCC#N)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001723127090 1288420958 /nfs/dbraw/zinc/42/09/58/1288420958.db2.gz VMVGSFJPOPOHMD-MSOLQXFVSA-N 2 1 371.485 0.410 10 30 FCEEMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)C[C@H]1c1cnn(C)c1 ZINC001656417538 1291522645 /nfs/dbraw/zinc/52/26/45/1291522645.db2.gz WXEQWZFNQOMRID-RCCFBDPRSA-N 2 1 359.474 0.048 10 30 FCEEMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C[C@H]1c1cnn(C)c1 ZINC001656417538 1291522651 /nfs/dbraw/zinc/52/26/51/1291522651.db2.gz WXEQWZFNQOMRID-RCCFBDPRSA-N 2 1 359.474 0.048 10 30 FCEEMP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001263861645 859221683 /nfs/dbraw/zinc/22/16/83/859221683.db2.gz ILBJDIXDNACFEC-OVYGPGRDSA-N 2 1 350.507 0.892 10 30 FCEEMP C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CC[N@H+](C)CC ZINC001264562714 859386606 /nfs/dbraw/zinc/38/66/06/859386606.db2.gz NVYVTOLZKLMKRB-IKGGRYGDSA-N 2 1 350.507 0.683 10 30 FCEEMP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000329913812 489048898 /nfs/dbraw/zinc/04/88/98/489048898.db2.gz CBZIEFKNLFMGNG-GDBMZVCRSA-N 2 1 351.495 0.479 10 30 FCEEMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000329913812 489048900 /nfs/dbraw/zinc/04/89/00/489048900.db2.gz CBZIEFKNLFMGNG-GDBMZVCRSA-N 2 1 351.495 0.479 10 30 FCEEMP C=CC[NH+]1CCC(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)CC1 ZINC000581901113 491789931 /nfs/dbraw/zinc/78/99/31/491789931.db2.gz FTHWYBQBQJELJX-DOTOQJQBSA-N 2 1 350.507 0.942 10 30 FCEEMP C(#CC[N@@H+]1CC[C@H](Cn2ccnn2)C1)C[NH+]1CC[C@@H](Cn2ccnn2)C1 ZINC000661139337 493411115 /nfs/dbraw/zinc/41/11/15/493411115.db2.gz HRHBPGYEABKALE-HDICACEKSA-N 2 1 354.462 0.217 10 30 FCEEMP C(#CC[N@@H+]1CC[C@@H](Cn2ccnn2)C1)C[NH+]1CC[C@H](Cn2ccnn2)C1 ZINC000661139337 493411119 /nfs/dbraw/zinc/41/11/19/493411119.db2.gz HRHBPGYEABKALE-HDICACEKSA-N 2 1 354.462 0.217 10 30 FCEEMP C(#CC[N@H+]1CC[C@@H](Cn2ccnn2)C1)C[NH+]1CC[C@H](Cn2ccnn2)C1 ZINC000661139337 493411120 /nfs/dbraw/zinc/41/11/20/493411120.db2.gz HRHBPGYEABKALE-HDICACEKSA-N 2 1 354.462 0.217 10 30 FCEEMP C[NH+]=C(NCC1CCN(S(C)(=O)=O)CC1)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000261947497 526352662 /nfs/dbraw/zinc/35/26/62/526352662.db2.gz GHXPNTWPBBBDKP-GDBMZVCRSA-N 2 1 373.567 0.552 10 30 FCEEMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CCCCN1S(=O)(=O)N(C)C ZINC000262268053 529101392 /nfs/dbraw/zinc/10/13/92/529101392.db2.gz HTJVVXQQGZENLV-LSDHHAIUSA-N 2 1 374.555 0.036 10 30 FCEEMP C#CC[N@H+](C)CCCNC(=O)NC1CCN(C(=O)CCC[NH2+]C)CC1 ZINC000851661092 671455045 /nfs/dbraw/zinc/45/50/45/671455045.db2.gz FAKRXNMXLYQTDG-UHFFFAOYSA-N 2 1 351.495 0.231 10 30 FCEEMP C#CC[NH+]1CCC(C(=O)NCC2(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)CC1 ZINC001299183344 1190833856 /nfs/dbraw/zinc/83/38/56/1190833856.db2.gz XZTWRXMDELTWGA-NVXWUHKLSA-N 2 1 360.502 0.437 10 30 FCEEMP CN1CC[N@@H+](C)CC(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)C1 ZINC000906441696 1195629698 /nfs/dbraw/zinc/62/96/98/1195629698.db2.gz XFSSFXXAJJJJFW-UHFFFAOYSA-N 2 1 357.502 0.942 10 30 FCEEMP C[NH+]1CC[C@@H](CC(=O)N2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@H]2C#N)C1 ZINC000912535944 1196349815 /nfs/dbraw/zinc/34/98/15/1196349815.db2.gz PFFNLEWFSJPTIZ-IXDOHACOSA-N 2 1 361.490 0.233 10 30 FCEEMP C[NH+]1CC[C@H](CC(=O)N2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)[C@H](C#N)C2)C1 ZINC000912535944 1196349818 /nfs/dbraw/zinc/34/98/18/1196349818.db2.gz PFFNLEWFSJPTIZ-IXDOHACOSA-N 2 1 361.490 0.233 10 30 FCEEMP C[NH+]1CC[C@H](CC(=O)N2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)[C@H](C#N)C2)C1 ZINC000912535944 1196349821 /nfs/dbraw/zinc/34/98/21/1196349821.db2.gz PFFNLEWFSJPTIZ-IXDOHACOSA-N 2 1 361.490 0.233 10 30 FCEEMP C#CCNC(=O)C1CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)CC1 ZINC000820067970 1203177273 /nfs/dbraw/zinc/17/72/73/1203177273.db2.gz GBZOZVOVIODNIB-INIZCTEOSA-N 2 1 365.522 0.429 10 30 FCEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CC[N@H+](C)CC)[C@@H]1CC ZINC001490003088 1209206844 /nfs/dbraw/zinc/20/68/44/1209206844.db2.gz NOFGRHXJPZIBLZ-KSZLIROESA-N 2 1 362.518 0.922 10 30 FCEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CC[N@@H+](C)CC)[C@@H]1CC ZINC001490003088 1209206849 /nfs/dbraw/zinc/20/68/49/1209206849.db2.gz NOFGRHXJPZIBLZ-KSZLIROESA-N 2 1 362.518 0.922 10 30 FCEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CC[NH+](C)CC)[C@@H]1CC ZINC001490003088 1209206852 /nfs/dbraw/zinc/20/68/52/1209206852.db2.gz NOFGRHXJPZIBLZ-KSZLIROESA-N 2 1 362.518 0.922 10 30 FCEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CC[NH+](C)CC)[C@@H]1CC ZINC001490003088 1209206854 /nfs/dbraw/zinc/20/68/54/1209206854.db2.gz NOFGRHXJPZIBLZ-KSZLIROESA-N 2 1 362.518 0.922 10 30 FCEEMP C=C1[C@H](C(=O)NC[C@@H]2CC[NH+](CC)C2)[C@@H]1C(=O)NC[C@H]1CC[N@H+](CC)C1 ZINC000900307512 1217977216 /nfs/dbraw/zinc/97/72/16/1217977216.db2.gz KYHRLYWAQDXAPT-USTZCAOPSA-N 2 1 362.518 0.705 10 30 FCEEMP C=C1[C@H](C(=O)NC[C@@H]2CC[N@H+](CC)C2)[C@@H]1C(=O)NC[C@H]1CC[NH+](CC)C1 ZINC000900307512 1217977222 /nfs/dbraw/zinc/97/72/22/1217977222.db2.gz KYHRLYWAQDXAPT-USTZCAOPSA-N 2 1 362.518 0.705 10 30 FCEEMP C=C1[C@H](C(=O)NC[C@@H]2CC[N@@H+](CC)C2)[C@@H]1C(=O)NC[C@H]1CC[NH+](CC)C1 ZINC000900307512 1217977226 /nfs/dbraw/zinc/97/72/26/1217977226.db2.gz KYHRLYWAQDXAPT-USTZCAOPSA-N 2 1 362.518 0.705 10 30 FCEEMP C=C1[C@H](C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)[C@H]1C(=O)N[C@H]1CC[NH+](C2CC2)C1 ZINC000900372171 1217982819 /nfs/dbraw/zinc/98/28/19/1217982819.db2.gz QJXCQAMZGDWFRN-DACLVMHWSA-N 2 1 358.486 0.494 10 30 FCEEMP C=C1[C@H](C(=O)N[C@@H]2CC[NH+](C3CC3)C2)[C@H]1C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000900372171 1217982824 /nfs/dbraw/zinc/98/28/24/1217982824.db2.gz QJXCQAMZGDWFRN-DACLVMHWSA-N 2 1 358.486 0.494 10 30 FCEEMP C=C1[C@H](C(=O)N[C@@H]2CC[NH+](C3CC3)C2)[C@H]1C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000900372171 1217982830 /nfs/dbraw/zinc/98/28/30/1217982830.db2.gz QJXCQAMZGDWFRN-DACLVMHWSA-N 2 1 358.486 0.494 10 30 FCEEMP CN(C)C(=O)CC[NH+]1CCC([NH2+]C[C@@H](O)CC2(C#N)CCOCC2)CC1 ZINC001329594750 1265789265 /nfs/dbraw/zinc/78/92/65/1265789265.db2.gz CEGJATOEOBOLSX-KRWDZBQOSA-N 2 1 366.506 0.590 10 30 FCEEMP C#CC[N@H+](CC[C@H]1CCNC1=O)C1CC[NH+](CC[C@H]2CCNC2=O)CC1 ZINC001331158883 1266160681 /nfs/dbraw/zinc/16/06/81/1266160681.db2.gz USCJOTXMMNLOEP-IAGOWNOFSA-N 2 1 360.502 0.438 10 30 FCEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@]2(C)C1 ZINC001282452707 1261462009 /nfs/dbraw/zinc/46/20/09/1261462009.db2.gz YHXVAZLBKVGKIR-ABSDTBQOSA-N 2 1 360.502 0.343 10 30 FCEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@]2(C)C1 ZINC001282452707 1261462011 /nfs/dbraw/zinc/46/20/11/1261462011.db2.gz YHXVAZLBKVGKIR-ABSDTBQOSA-N 2 1 360.502 0.343 10 30 FCEEMP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1OCC ZINC001479540039 1263245394 /nfs/dbraw/zinc/24/53/94/1263245394.db2.gz JATSKYYCKHZKQT-IXDOHACOSA-N 2 1 366.506 0.226 10 30 FCEEMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CC(=O)NCC#N ZINC001479562788 1263255783 /nfs/dbraw/zinc/25/57/83/1263255783.db2.gz ZZQUKGYCBGYGSN-IXDOHACOSA-N 2 1 363.506 0.716 10 30 FCEEMP C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+](C)C)C[C@@H]2C1 ZINC001479673223 1263336623 /nfs/dbraw/zinc/33/66/23/1263336623.db2.gz XOXLATPWCWJBCJ-KURKYZTESA-N 2 1 362.518 0.637 10 30 FCEEMP C#CCNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001316658247 1263403452 /nfs/dbraw/zinc/40/34/52/1263403452.db2.gz UMIRCUICKJYCBI-GVDBMIGSSA-N 2 1 371.485 0.378 10 30 FCEEMP CCO[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C[C@H]1C[NH2+]CC#CCOC ZINC001316688653 1263421527 /nfs/dbraw/zinc/42/15/27/1263421527.db2.gz QGDHVYFLCFZZHR-GUDVDZBRSA-N 2 1 365.518 0.962 10 30 FCEEMP C#CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001484849546 1263490573 /nfs/dbraw/zinc/49/05/73/1263490573.db2.gz XMWFZXVUKRYOAI-DYXWJJEUSA-N 2 1 355.482 0.908 10 30 FCEEMP C[C@@H]1[C@H](C(=O)N2CCC[C@@]3(CC[NH+](CC(=O)NCC#N)C3)C2)CC[N@@H+]1C ZINC001502543448 1264176225 /nfs/dbraw/zinc/17/62/25/1264176225.db2.gz GJHZVPBPDQXBAD-MDZRGWNJSA-N 2 1 361.490 0.281 10 30 FCEEMP C[C@@H]1[C@H](C(=O)N2CCC[C@@]3(CC[NH+](CC(=O)NCC#N)C3)C2)CC[N@H+]1C ZINC001502543448 1264176229 /nfs/dbraw/zinc/17/62/29/1264176229.db2.gz GJHZVPBPDQXBAD-MDZRGWNJSA-N 2 1 361.490 0.281 10 30 FCEEMP C[C@@H]1[C@H](C(=O)N2CCC[C@@]3(CC[N@H+](CC(=O)NCC#N)C3)C2)CC[NH+]1C ZINC001502543448 1264176235 /nfs/dbraw/zinc/17/62/35/1264176235.db2.gz GJHZVPBPDQXBAD-MDZRGWNJSA-N 2 1 361.490 0.281 10 30 FCEEMP C[C@@H]1[C@H](C(=O)N2CCC[C@@]3(CC[N@@H+](CC(=O)NCC#N)C3)C2)CC[NH+]1C ZINC001502543448 1264176239 /nfs/dbraw/zinc/17/62/39/1264176239.db2.gz GJHZVPBPDQXBAD-MDZRGWNJSA-N 2 1 361.490 0.281 10 30 FCEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)C[N@@H+](C)CCC)C[C@H]21 ZINC001513951470 1265303399 /nfs/dbraw/zinc/30/33/99/1265303399.db2.gz XVZBNNRDLJXTDT-FGTMMUONSA-N 2 1 360.502 0.485 10 30 FCEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)C[N@H+](C)CCC)C[C@H]21 ZINC001513951470 1265303409 /nfs/dbraw/zinc/30/34/09/1265303409.db2.gz XVZBNNRDLJXTDT-FGTMMUONSA-N 2 1 360.502 0.485 10 30 FCEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)C[NH+](C)CCC)C[C@H]21 ZINC001513951470 1265303419 /nfs/dbraw/zinc/30/34/19/1265303419.db2.gz XVZBNNRDLJXTDT-FGTMMUONSA-N 2 1 360.502 0.485 10 30 FCEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)C[NH+](C)CCC)C[C@H]21 ZINC001513951470 1265303429 /nfs/dbraw/zinc/30/34/29/1265303429.db2.gz XVZBNNRDLJXTDT-FGTMMUONSA-N 2 1 360.502 0.485 10 30 FCEEMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](CO)[NH2+]CC#Cc2ccc(F)cc2)CC[N@H+]1C ZINC001571429536 1269933740 /nfs/dbraw/zinc/93/37/40/1269933740.db2.gz GIOSJQICFIJBMF-GBESFXJTSA-N 2 1 361.461 0.974 10 30 FCEEMP C=CCOCC(=O)NCCC[NH+]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001577829451 1274943396 /nfs/dbraw/zinc/94/33/96/1274943396.db2.gz DZJCJXLQPDYKEF-IAGOWNOFSA-N 2 1 366.506 0.180 10 30 FCEEMP C=CCOCC(=O)NCCC[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001577829451 1274943401 /nfs/dbraw/zinc/94/34/01/1274943401.db2.gz DZJCJXLQPDYKEF-IAGOWNOFSA-N 2 1 366.506 0.180 10 30 FCEEMP C=CCNC(=O)C[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001713677051 1287290567 /nfs/dbraw/zinc/29/05/67/1287290567.db2.gz IINVHXVUXVDRQZ-BFYDXBDKSA-N 2 1 350.507 0.846 10 30 FCEEMP C=CCNC(=O)C[NH+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001713890326 1287306442 /nfs/dbraw/zinc/30/64/42/1287306442.db2.gz GXKLWXHXQURQEZ-IXDOHACOSA-N 2 1 350.507 0.799 10 30 FCEEMP C=CCNC(=O)C[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001713890326 1287306446 /nfs/dbraw/zinc/30/64/46/1287306446.db2.gz GXKLWXHXQURQEZ-IXDOHACOSA-N 2 1 350.507 0.799 10 30 FCEEMP C=CCNC(=O)C[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001713890326 1287306450 /nfs/dbraw/zinc/30/64/50/1287306450.db2.gz GXKLWXHXQURQEZ-IXDOHACOSA-N 2 1 350.507 0.799 10 30 FCEEMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@](CO)([NH2+]CC#CCOC)C2)CC[N@H+]1C ZINC001717252358 1287413543 /nfs/dbraw/zinc/41/35/43/1287413543.db2.gz CDUZDLRLKLSNGT-SCTDSRPQSA-N 2 1 351.491 0.310 10 30 FCEEMP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@@H]2C1 ZINC001707221161 1287063793 /nfs/dbraw/zinc/06/37/93/1287063793.db2.gz KYZBEKOLIQTMGQ-BBWFWOEESA-N 2 1 360.502 0.246 10 30 FCEEMP C=CCNC(=O)C[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001664807145 1291814785 /nfs/dbraw/zinc/81/47/85/1291814785.db2.gz RYKNGGNGQQZAEN-YESZJQIVSA-N 2 1 350.507 0.799 10 30 FCEEMP C=CCNC(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001664807145 1291814794 /nfs/dbraw/zinc/81/47/94/1291814794.db2.gz RYKNGGNGQQZAEN-YESZJQIVSA-N 2 1 350.507 0.799 10 30 FCEEMP C=CCNC(=O)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001664807145 1291814806 /nfs/dbraw/zinc/81/48/06/1291814806.db2.gz RYKNGGNGQQZAEN-YESZJQIVSA-N 2 1 350.507 0.799 10 30 FCEEMP C=CCOCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@H+](CC)CCO3)C[C@@H]2C1 ZINC001316761437 867462421 /nfs/dbraw/zinc/46/24/21/867462421.db2.gz VMHHHXKAZQSUGO-SQNIBIBYSA-N 2 1 351.491 0.690 10 30 FCEEMP C=CCOCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C[C@@H]2C1 ZINC001316761437 867462438 /nfs/dbraw/zinc/46/24/38/867462438.db2.gz VMHHHXKAZQSUGO-SQNIBIBYSA-N 2 1 351.491 0.690 10 30 FCEEMP C=CCOCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+](CC)CCO3)C[C@@H]2C1 ZINC001316761437 867462452 /nfs/dbraw/zinc/46/24/52/867462452.db2.gz VMHHHXKAZQSUGO-SQNIBIBYSA-N 2 1 351.491 0.690 10 30 FCEEMP C=CCOCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+](CC)CCO3)C[C@@H]2C1 ZINC001316761437 867462463 /nfs/dbraw/zinc/46/24/63/867462463.db2.gz VMHHHXKAZQSUGO-SQNIBIBYSA-N 2 1 351.491 0.690 10 30 FCEEMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)CC1 ZINC000473958756 250259057 /nfs/dbraw/zinc/25/90/57/250259057.db2.gz KRCVSFKYTGEFMB-UHFFFAOYSA-N 2 1 365.522 0.832 10 30 FCEEMP CN(C)C(=O)CNC(NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)=[NH+]C[C@@H]1CCOC1 ZINC000262251329 229300926 /nfs/dbraw/zinc/30/09/26/229300926.db2.gz BWVRUFPFIUFEBM-XYTVBORESA-N 2 1 365.522 0.662 10 30 FCEEMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CC[C@@H]3OCCN(C)[C@@H]3C2)C1 ZINC000329072939 488966131 /nfs/dbraw/zinc/96/61/31/488966131.db2.gz ZTEPNUWAHMWOQT-ZACQAIPSSA-N 2 1 354.495 0.662 10 30 FCEEMP CC(C)CN1CCO[C@H](CNC(=O)N2CC[C@@H]3OCCN(C)[C@@H]3C2)C1 ZINC000329072939 488966133 /nfs/dbraw/zinc/96/61/33/488966133.db2.gz ZTEPNUWAHMWOQT-ZACQAIPSSA-N 2 1 354.495 0.662 10 30 FCEEMP C=CCNC(=O)NC(=O)[C@@H](C)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182581206 488388460 /nfs/dbraw/zinc/38/84/60/488388460.db2.gz WTGKPHLWAIZWKF-VPSFDDGASA-N 2 1 363.506 0.630 10 30 FCEEMP C[NH+]=C(NC[C@@H]1CCC[N@H+]1C)N1CCN([C@H](C)C(=O)N2CCCC2)CC1 ZINC000157034108 526370333 /nfs/dbraw/zinc/37/03/33/526370333.db2.gz LMPSCXYAMAVZFB-SJORKVTESA-N 2 1 364.538 0.285 10 30 FCEEMP C[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000262429758 526371371 /nfs/dbraw/zinc/37/13/71/526371371.db2.gz SFZIGTZRKVFLMZ-JKSUJKDBSA-N 2 1 356.536 0.851 10 30 FCEEMP C[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000262429758 526371376 /nfs/dbraw/zinc/37/13/76/526371376.db2.gz SFZIGTZRKVFLMZ-JKSUJKDBSA-N 2 1 356.536 0.851 10 30 FCEEMP C#CC[NH+]1CCC(C(=O)NC[C@H](O)C[N@H+]2CCc3ccccc3C2)CC1 ZINC000159370806 526925618 /nfs/dbraw/zinc/92/56/18/526925618.db2.gz KUDBAQLVPWWNTJ-FQEVSTJZSA-N 2 1 355.482 0.867 10 30 FCEEMP CC[NH+]=C(NC[C@H]1CC[N@H+](C2CC2)C1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261976734 528813949 /nfs/dbraw/zinc/81/39/49/528813949.db2.gz NWOAZYNQDADPGU-CQSZACIVSA-N 2 1 356.536 0.945 10 30 FCEEMP C#CCC[NH+]1CCN(C(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C)CC1 ZINC000865084399 672225323 /nfs/dbraw/zinc/22/53/23/672225323.db2.gz BSLPQYMAGOIGPV-HNNXBMFYSA-N 2 1 352.479 0.609 10 30 FCEEMP COCC#CC[NH2+]C[C@H](O)CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001482770888 1192383304 /nfs/dbraw/zinc/38/33/04/1192383304.db2.gz WMVYMKDRBSPQJT-OTWHNJEPSA-N 2 1 359.470 0.048 10 30 FCEEMP C#CCNC(=O)[C@@H](C)[N@@H+](C)CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC1 ZINC001481516515 1186217894 /nfs/dbraw/zinc/21/78/94/1186217894.db2.gz VNUYYBCYPVXAOT-DJIMGWMZSA-N 2 1 371.485 0.822 10 30 FCEEMP C#CCNC(=O)[C@@H](C)[N@H+](C)CC1CCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC1 ZINC001481516515 1186217900 /nfs/dbraw/zinc/21/79/00/1186217900.db2.gz VNUYYBCYPVXAOT-DJIMGWMZSA-N 2 1 371.485 0.822 10 30 FCEEMP C#CCNC(=O)[C@@H](C)[N@@H+](C)CC1CCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC1 ZINC001481516515 1186217907 /nfs/dbraw/zinc/21/79/07/1186217907.db2.gz VNUYYBCYPVXAOT-DJIMGWMZSA-N 2 1 371.485 0.822 10 30 FCEEMP C#CCN1CCC[C@H]1C(=O)NC1(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001299174335 1188378431 /nfs/dbraw/zinc/37/84/31/1188378431.db2.gz QMKQNWWMNHDLMM-BBWFWOEESA-N 2 1 360.502 0.579 10 30 FCEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001299174335 1188378433 /nfs/dbraw/zinc/37/84/33/1188378433.db2.gz QMKQNWWMNHDLMM-BBWFWOEESA-N 2 1 360.502 0.579 10 30 FCEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC1(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001299174335 1188378439 /nfs/dbraw/zinc/37/84/39/1188378439.db2.gz QMKQNWWMNHDLMM-BBWFWOEESA-N 2 1 360.502 0.579 10 30 FCEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1(CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001299174335 1188378443 /nfs/dbraw/zinc/37/84/43/1188378443.db2.gz QMKQNWWMNHDLMM-BBWFWOEESA-N 2 1 360.502 0.579 10 30 FCEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1(CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001299174335 1188378448 /nfs/dbraw/zinc/37/84/48/1188378448.db2.gz QMKQNWWMNHDLMM-BBWFWOEESA-N 2 1 360.502 0.579 10 30 FCEEMP C[C@H](CN1CCOCC1)[NH+](C)CC#CC[N@H+](C)[C@H](C)CN1CCOCC1 ZINC000551739010 1193869308 /nfs/dbraw/zinc/86/93/08/1193869308.db2.gz PHWNLFGDXODACO-WOJBJXKFSA-N 2 1 366.550 0.295 10 30 FCEEMP C[C@H](C[N@H+](C)CC(=O)NCC#N)NC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001483386266 1195825945 /nfs/dbraw/zinc/82/59/45/1195825945.db2.gz BHIBYEZHGCAKBX-NXHRZFHOSA-N 2 1 371.485 0.408 10 30 FCEEMP C[C@H](C[N@@H+](C)CC(=O)NCC#N)NC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001483386266 1195825948 /nfs/dbraw/zinc/82/59/48/1195825948.db2.gz BHIBYEZHGCAKBX-NXHRZFHOSA-N 2 1 371.485 0.408 10 30 FCEEMP C[C@H](C[NH+](C)CC(=O)NCC#N)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001483386266 1195825953 /nfs/dbraw/zinc/82/59/53/1195825953.db2.gz BHIBYEZHGCAKBX-NXHRZFHOSA-N 2 1 371.485 0.408 10 30 FCEEMP C[C@H](C[NH+](C)CC(=O)NCC#N)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001483386266 1195825954 /nfs/dbraw/zinc/82/59/54/1195825954.db2.gz BHIBYEZHGCAKBX-NXHRZFHOSA-N 2 1 371.485 0.408 10 30 FCEEMP N#CCCCC[C@@H]([NH3+])C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000594437955 1196721934 /nfs/dbraw/zinc/72/19/34/1196721934.db2.gz GBEWJNFPMXSGIP-MRXNPFEDSA-N 2 1 359.478 0.516 10 30 FCEEMP C#CCN(C(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1)C1CC[NH+](C)CC1 ZINC000913999032 1197196674 /nfs/dbraw/zinc/19/66/74/1197196674.db2.gz JZNXVELHDIOUJR-IBGZPJMESA-N 2 1 363.550 0.997 10 30 FCEEMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC(=O)NCC=C)[C@@H]2CC)CC1 ZINC001489147562 1208645437 /nfs/dbraw/zinc/64/54/37/1208645437.db2.gz NPUUEWWZXLSUOI-ZWKOTPCHSA-N 2 1 360.502 0.603 10 30 FCEEMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC(=O)NCC=C)[C@@H]2CC)CC1 ZINC001489147562 1208645442 /nfs/dbraw/zinc/64/54/42/1208645442.db2.gz NPUUEWWZXLSUOI-ZWKOTPCHSA-N 2 1 360.502 0.603 10 30 FCEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)CC[N@@H+](C)CC ZINC001489697314 1209092593 /nfs/dbraw/zinc/09/25/93/1209092593.db2.gz RPMBMPUISQQBTE-KURKYZTESA-N 2 1 362.518 0.969 10 30 FCEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)CC[N@H+](C)CC ZINC001489697314 1209092598 /nfs/dbraw/zinc/09/25/98/1209092598.db2.gz RPMBMPUISQQBTE-KURKYZTESA-N 2 1 362.518 0.969 10 30 FCEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)CC[NH+](C)CC ZINC001489697314 1209092601 /nfs/dbraw/zinc/09/26/01/1209092601.db2.gz RPMBMPUISQQBTE-KURKYZTESA-N 2 1 362.518 0.969 10 30 FCEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)CC[NH+](C)CC ZINC001489697314 1209092604 /nfs/dbraw/zinc/09/26/04/1209092604.db2.gz RPMBMPUISQQBTE-KURKYZTESA-N 2 1 362.518 0.969 10 30 FCEEMP C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC000873896178 1210269491 /nfs/dbraw/zinc/26/94/91/1210269491.db2.gz PMSRVLIRJMKZEF-UHFFFAOYSA-N 2 1 360.462 0.160 10 30 FCEEMP C#CCN(C(=O)[C@H]1CCC[N@@H+]1C)C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000831551474 1222499286 /nfs/dbraw/zinc/49/92/86/1222499286.db2.gz PHJSYHYDDVKJPX-QZTJIDSGSA-N 2 1 360.502 0.628 10 30 FCEEMP C#CCN(C(=O)[C@H]1CCC[NH+]1C)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000831551474 1222499292 /nfs/dbraw/zinc/49/92/92/1222499292.db2.gz PHJSYHYDDVKJPX-QZTJIDSGSA-N 2 1 360.502 0.628 10 30 FCEEMP C#CCN(C(=O)[C@H]1CCC[NH+]1C)C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000831551474 1222499295 /nfs/dbraw/zinc/49/92/95/1222499295.db2.gz PHJSYHYDDVKJPX-QZTJIDSGSA-N 2 1 360.502 0.628 10 30 FCEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CCC[NH+](C)C ZINC001282754541 1261612354 /nfs/dbraw/zinc/61/23/54/1261612354.db2.gz CXAPXYUTOJYUEU-BDXSIMOUSA-N 2 1 360.502 0.674 10 30 FCEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CCC[NH+](C)C ZINC001282754541 1261612365 /nfs/dbraw/zinc/61/23/65/1261612365.db2.gz CXAPXYUTOJYUEU-BDXSIMOUSA-N 2 1 360.502 0.674 10 30 FCEEMP C=CCN1CC[C@@H]([NH2+][C@@H]2CC[C@H](CNC(=O)Cn3cc[nH+]c3C)C2)C1=O ZINC001316666042 1263408205 /nfs/dbraw/zinc/40/82/05/1263408205.db2.gz CZYKNBBLJNDGLK-GVDBMIGSSA-N 2 1 359.474 0.853 10 30 FCEEMP C=CCNC(=O)C[NH2+][C@H](C)CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001480541321 1263433496 /nfs/dbraw/zinc/43/34/96/1263433496.db2.gz WIXVLLFTAFEGMX-NXHRZFHOSA-N 2 1 358.486 0.728 10 30 FCEEMP N#CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@@H]2C1 ZINC001316754432 1263457986 /nfs/dbraw/zinc/45/79/86/1263457986.db2.gz WDQKBLSDXPMPGZ-CVEARBPZSA-N 2 1 359.474 0.035 10 30 FCEEMP N#CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@@H]2C1 ZINC001316754432 1263457990 /nfs/dbraw/zinc/45/79/90/1263457990.db2.gz WDQKBLSDXPMPGZ-CVEARBPZSA-N 2 1 359.474 0.035 10 30 FCEEMP CCN(CCC#N)C(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001485877439 1263517480 /nfs/dbraw/zinc/51/74/80/1263517480.db2.gz MCQJEAYTRSLNPB-ARFHVFGLSA-N 2 1 351.495 0.525 10 30 FCEEMP C#CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001496170105 1263861576 /nfs/dbraw/zinc/86/15/76/1263861576.db2.gz JZPYAGJJJAJWFS-QRQLOZEOSA-N 2 1 370.497 0.518 10 30 FCEEMP C#CCNC(=O)C[NH2+]CCCN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001498613676 1263980947 /nfs/dbraw/zinc/98/09/47/1263980947.db2.gz FZPZLSVBOJUBHU-MOPGFXCFSA-N 2 1 370.497 0.519 10 30 FCEEMP C#CCNC(=O)C[NH2+][C@H](CCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(C)C ZINC001506178066 1264301058 /nfs/dbraw/zinc/30/10/58/1264301058.db2.gz DJRPGLLCWBAOEX-BRWVUGGUSA-N 2 1 350.507 0.539 10 30 FCEEMP COc1ccc(C#N)cc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001507197580 1264354559 /nfs/dbraw/zinc/35/45/59/1264354559.db2.gz BHIQEASGOPLSJL-XOKHGSTOSA-N 2 1 360.458 0.474 10 30 FCEEMP COc1ccc(C#N)cc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001507197580 1264354565 /nfs/dbraw/zinc/35/45/65/1264354565.db2.gz BHIQEASGOPLSJL-XOKHGSTOSA-N 2 1 360.458 0.474 10 30 FCEEMP C#CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC[NH+]([C@H]2CCCNC2=O)CC1 ZINC001324398060 1264636585 /nfs/dbraw/zinc/63/65/85/1264636585.db2.gz XXZGDOJPXOJTDZ-NXHRZFHOSA-N 2 1 360.502 0.531 10 30 FCEEMP C[NH+](C)CC#CCNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC001565496504 1269477805 /nfs/dbraw/zinc/47/78/05/1269477805.db2.gz KJPYNYHYXBIQKO-MOPGFXCFSA-N 2 1 358.486 0.734 10 30 FCEEMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC(=O)N[C@@H](C)CC)[C@@H]2C)CC1 ZINC001566115658 1269614974 /nfs/dbraw/zinc/61/49/74/1269614974.db2.gz NPXUEYUMEBZJDZ-JZXOWHBKSA-N 2 1 362.518 0.825 10 30 FCEEMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC(=O)N[C@@H](C)CC)[C@@H]2C)CC1 ZINC001566115658 1269614981 /nfs/dbraw/zinc/61/49/81/1269614981.db2.gz NPXUEYUMEBZJDZ-JZXOWHBKSA-N 2 1 362.518 0.825 10 30 FCEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001344276373 1270127743 /nfs/dbraw/zinc/12/77/43/1270127743.db2.gz UUWSUWVYFYUROP-KSZLIROESA-N 2 1 360.502 0.581 10 30 FCEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001344276373 1270127748 /nfs/dbraw/zinc/12/77/48/1270127748.db2.gz UUWSUWVYFYUROP-KSZLIROESA-N 2 1 360.502 0.581 10 30 FCEEMP C[C@@H](C[NH2+]CC(=O)NCC#N)N(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001715365330 1287350754 /nfs/dbraw/zinc/35/07/54/1287350754.db2.gz PECSAYJNJUEFBQ-JQHSSLGASA-N 2 1 371.485 0.408 10 30 FCEEMP C#CCNC(=O)[C@@H](C)[NH+]1CCC(C)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001716884522 1287392338 /nfs/dbraw/zinc/39/23/38/1287392338.db2.gz XDAJBPWXJMFSAK-BRWVUGGUSA-N 2 1 362.518 0.683 10 30 FCEEMP C#CC[NH+]1CCC[C@H]1C(=O)N(CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001704400860 1286242235 /nfs/dbraw/zinc/24/22/35/1286242235.db2.gz QUFJJVZEROLKOX-NXHRZFHOSA-N 2 1 360.502 0.531 10 30 FCEEMP C#CC[NH+]1CCC[C@H]1C(=O)N(CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001704400860 1286242238 /nfs/dbraw/zinc/24/22/38/1286242238.db2.gz QUFJJVZEROLKOX-NXHRZFHOSA-N 2 1 360.502 0.531 10 30 FCEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C1CC1 ZINC001704400860 1286242243 /nfs/dbraw/zinc/24/22/43/1286242243.db2.gz QUFJJVZEROLKOX-NXHRZFHOSA-N 2 1 360.502 0.531 10 30 FCEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C1CC1 ZINC001704400860 1286242252 /nfs/dbraw/zinc/24/22/52/1286242252.db2.gz QUFJJVZEROLKOX-NXHRZFHOSA-N 2 1 360.502 0.531 10 30 FCEEMP CCN(CCC#N)C(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001707118734 1286456229 /nfs/dbraw/zinc/45/62/29/1286456229.db2.gz DMEGTYNQMNWRIF-YESZJQIVSA-N 2 1 363.506 0.575 10 30 FCEEMP C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@H]1C ZINC001707266011 1287124787 /nfs/dbraw/zinc/12/47/87/1287124787.db2.gz DSZCGFWKDRATHQ-ZACQAIPSSA-N 2 1 350.507 0.942 10 30 FCEEMP C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@H]1C ZINC001707266011 1287124792 /nfs/dbraw/zinc/12/47/92/1287124792.db2.gz DSZCGFWKDRATHQ-ZACQAIPSSA-N 2 1 350.507 0.942 10 30 FCEEMP C=C(C)CN(CC)C(=O)C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@H]1C ZINC001707266011 1287124797 /nfs/dbraw/zinc/12/47/97/1287124797.db2.gz DSZCGFWKDRATHQ-ZACQAIPSSA-N 2 1 350.507 0.942 10 30 FCEEMP C=C(C)CN(CC)C(=O)C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001707266011 1287124804 /nfs/dbraw/zinc/12/48/04/1287124804.db2.gz DSZCGFWKDRATHQ-ZACQAIPSSA-N 2 1 350.507 0.942 10 30 FCEEMP C=CCNC(=O)C[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)C1 ZINC001723718732 1288427721 /nfs/dbraw/zinc/42/77/21/1288427721.db2.gz LQJQTKPZBWJCIO-QKLQHJQFSA-N 2 1 362.518 0.943 10 30 FCEEMP C=CCNC(=O)C[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC001723718732 1288427724 /nfs/dbraw/zinc/42/77/24/1288427724.db2.gz LQJQTKPZBWJCIO-QKLQHJQFSA-N 2 1 362.518 0.943 10 30 FCEEMP C=CCNC(=O)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC001723718732 1288427725 /nfs/dbraw/zinc/42/77/25/1288427725.db2.gz LQJQTKPZBWJCIO-QKLQHJQFSA-N 2 1 362.518 0.943 10 30 FCEEMP C#CCNC(=O)C[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001733290746 1288607779 /nfs/dbraw/zinc/60/77/79/1288607779.db2.gz ZVHQYJDDPSEHGV-IAGOWNOFSA-N 2 1 360.502 0.391 10 30 FCEEMP C=CCNC(=O)C[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C(C)(C)C1 ZINC001734143950 1288643350 /nfs/dbraw/zinc/64/33/50/1288643350.db2.gz BERSMRVVGBMOKG-ARFHVFGLSA-N 2 1 350.507 0.846 10 30 FCEEMP C=CCNC(=O)C[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C(C)(C)C1 ZINC001734143950 1288643352 /nfs/dbraw/zinc/64/33/52/1288643352.db2.gz BERSMRVVGBMOKG-ARFHVFGLSA-N 2 1 350.507 0.846 10 30 FCEEMP C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C(C)(C)C1 ZINC001734143950 1288643353 /nfs/dbraw/zinc/64/33/53/1288643353.db2.gz BERSMRVVGBMOKG-ARFHVFGLSA-N 2 1 350.507 0.846 10 30 FCEEMP C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C(C)(C)C1 ZINC001734143950 1288643356 /nfs/dbraw/zinc/64/33/56/1288643356.db2.gz BERSMRVVGBMOKG-ARFHVFGLSA-N 2 1 350.507 0.846 10 30 FCEEMP C[C@@H]1[C@H](C(=O)N(C)CC[NH2+]CC(=O)NCC#Cc2ccccc2)CC[N@H+]1C ZINC001663942470 1291775390 /nfs/dbraw/zinc/77/53/90/1291775390.db2.gz VVFMVNVYPUWZQX-IEBWSBKVSA-N 2 1 370.497 0.543 10 30 FCEEMP C=CCNC(=O)C[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001673381594 1292105311 /nfs/dbraw/zinc/10/53/11/1292105311.db2.gz SZBWNUGBTDNBQJ-YESZJQIVSA-N 2 1 350.507 0.990 10 30 FCEEMP C=CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001673381594 1292105314 /nfs/dbraw/zinc/10/53/14/1292105314.db2.gz SZBWNUGBTDNBQJ-YESZJQIVSA-N 2 1 350.507 0.990 10 30 FCEEMP C=CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001673381594 1292105318 /nfs/dbraw/zinc/10/53/18/1292105318.db2.gz SZBWNUGBTDNBQJ-YESZJQIVSA-N 2 1 350.507 0.990 10 30 FCEEMP C#CCNC(=O)[C@H](C)[N@@H+](C)CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C(C)C ZINC001278907840 862565404 /nfs/dbraw/zinc/56/54/04/862565404.db2.gz JHDSFAJNPVYEPJ-IXDOHACOSA-N 2 1 350.507 0.633 10 30 FCEEMP C#CCNC(=O)[C@H](C)[N@H+](C)CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C(C)C ZINC001278907840 862565413 /nfs/dbraw/zinc/56/54/13/862565413.db2.gz JHDSFAJNPVYEPJ-IXDOHACOSA-N 2 1 350.507 0.633 10 30 FCEEMP C#CCNC(=O)[C@H](C)[NH+](C)CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(C)C ZINC001278907840 862565418 /nfs/dbraw/zinc/56/54/18/862565418.db2.gz JHDSFAJNPVYEPJ-IXDOHACOSA-N 2 1 350.507 0.633 10 30 FCEEMP C#CCNC(=O)[C@H](C)[NH+](C)CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(C)C ZINC001278907840 862565429 /nfs/dbraw/zinc/56/54/29/862565429.db2.gz JHDSFAJNPVYEPJ-IXDOHACOSA-N 2 1 350.507 0.633 10 30 FCEEMP C=CCNC(=O)C[NH+]1CC[C@@H](CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001267559012 859508994 /nfs/dbraw/zinc/50/89/94/859508994.db2.gz LUCKMXBXFOFNCG-IXDOHACOSA-N 2 1 350.507 0.847 10 30 FCEEMP C=CCNC(=O)C[N@H+]1CC[C@@H](CCNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001267559012 859508999 /nfs/dbraw/zinc/50/89/99/859508999.db2.gz LUCKMXBXFOFNCG-IXDOHACOSA-N 2 1 350.507 0.847 10 30 FCEEMP C=CCNC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001267559012 859509002 /nfs/dbraw/zinc/50/90/02/859509002.db2.gz LUCKMXBXFOFNCG-IXDOHACOSA-N 2 1 350.507 0.847 10 30 FCEEMP CC(=O)N(C)C1CC[NH+](CC#CC[NH+]2CCC(N(C)C(C)=O)CC2)CC1 ZINC000472773253 250181503 /nfs/dbraw/zinc/18/15/03/250181503.db2.gz QANTWDVXAFGEDZ-UHFFFAOYSA-N 2 1 362.518 0.875 10 30 FCEEMP C[NH+]=C(NCC1([NH+]2CCCCC2)CCN(C)CC1)N1CCC(O)CC1 ZINC000262377346 526351656 /nfs/dbraw/zinc/35/16/56/526351656.db2.gz JSWRBZBEJAAFRN-UHFFFAOYSA-N 2 1 351.539 0.969 10 30 FCEEMP C[NH+]=C(NC[C@]1([NH+](C)C)CCSC1)N1CCO[C@@H](c2cnn(C)c2)C1 ZINC000261808790 526378484 /nfs/dbraw/zinc/37/84/84/526378484.db2.gz SGEFFEYCGXNZCI-NVXWUHKLSA-N 2 1 366.535 0.806 10 30 FCEEMP CC[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000262353903 528811931 /nfs/dbraw/zinc/81/19/31/528811931.db2.gz FNMPKFBBHAQTIG-LSDHHAIUSA-N 2 1 356.536 0.993 10 30 FCEEMP CC[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000262353903 528811938 /nfs/dbraw/zinc/81/19/38/528811938.db2.gz FNMPKFBBHAQTIG-LSDHHAIUSA-N 2 1 356.536 0.993 10 30 FCEEMP C=C1[C@H](C(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)[C@@H]1C(=O)N1CC[C@@H]2C[NH+](C)C[C@H]21 ZINC000908350463 1195740222 /nfs/dbraw/zinc/74/02/22/1195740222.db2.gz ZENYDDRDOBFKCZ-OBRKIGFESA-N 2 1 358.486 0.114 10 30 FCEEMP C=C1[C@H](C(=O)N2CC[C@@H]3C[NH+](C)C[C@@H]32)[C@@H]1C(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000908350463 1195740229 /nfs/dbraw/zinc/74/02/29/1195740229.db2.gz ZENYDDRDOBFKCZ-OBRKIGFESA-N 2 1 358.486 0.114 10 30 FCEEMP C=C1[C@H](C(=O)N2CC[C@@H]3C[NH+](C)C[C@@H]32)[C@@H]1C(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC000908350463 1195740233 /nfs/dbraw/zinc/74/02/33/1195740233.db2.gz ZENYDDRDOBFKCZ-OBRKIGFESA-N 2 1 358.486 0.114 10 30 FCEEMP C#CCN(C(=O)C(=O)NC[C@@H]1CC[N@H+]1C1CCCC1)C1CC[NH+](C)CC1 ZINC000910887950 1195858307 /nfs/dbraw/zinc/85/83/07/1195858307.db2.gz WHPOSQJHQJCNHF-SFHVURJKSA-N 2 1 360.502 0.676 10 30 FCEEMP C=C(C)CN(CC)C(=O)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001483734546 1197151853 /nfs/dbraw/zinc/15/18/53/1197151853.db2.gz ALLIKVDRAHQXDL-HZPDHXFCSA-N 2 1 350.507 0.990 10 30 FCEEMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)C[C@H]1c1cnn(C)c1 ZINC001488982237 1208599017 /nfs/dbraw/zinc/59/90/17/1208599017.db2.gz NQTIKIRDKAMVDC-RCCFBDPRSA-N 2 1 361.490 0.601 10 30 FCEEMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C[C@H]1c1cnn(C)c1 ZINC001488982237 1208599025 /nfs/dbraw/zinc/59/90/25/1208599025.db2.gz NQTIKIRDKAMVDC-RCCFBDPRSA-N 2 1 361.490 0.601 10 30 FCEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CC[N@@H+](C)CCC)C[C@H]1C ZINC001489464584 1208848227 /nfs/dbraw/zinc/84/82/27/1208848227.db2.gz GWPCLVOXCJQAIJ-KURKYZTESA-N 2 1 362.518 0.779 10 30 FCEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CC[N@H+](C)CCC)C[C@H]1C ZINC001489464584 1208848229 /nfs/dbraw/zinc/84/82/29/1208848229.db2.gz GWPCLVOXCJQAIJ-KURKYZTESA-N 2 1 362.518 0.779 10 30 FCEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CC[NH+](C)CCC)C[C@H]1C ZINC001489464584 1208848231 /nfs/dbraw/zinc/84/82/31/1208848231.db2.gz GWPCLVOXCJQAIJ-KURKYZTESA-N 2 1 362.518 0.779 10 30 FCEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CC[NH+](C)CCC)C[C@H]1C ZINC001489464584 1208848233 /nfs/dbraw/zinc/84/82/33/1208848233.db2.gz GWPCLVOXCJQAIJ-KURKYZTESA-N 2 1 362.518 0.779 10 30 FCEEMP C#CC[N@@H+](CCO[C@@H]1CCOC1)C1CCN(CCO[C@H]2CCOC2)CC1 ZINC000931590142 1211761572 /nfs/dbraw/zinc/76/15/72/1211761572.db2.gz GNZQGIFOPGKPQV-VQTJNVASSA-N 2 1 366.502 0.997 10 30 FCEEMP C#CCN(CCO[C@@H]1CCOC1)C1CC[NH+](CCO[C@H]2CCOC2)CC1 ZINC000931590142 1211761582 /nfs/dbraw/zinc/76/15/82/1211761582.db2.gz GNZQGIFOPGKPQV-VQTJNVASSA-N 2 1 366.502 0.997 10 30 FCEEMP C#CCN(C(=O)C(=O)NCCNc1ccc(C)c[nH+]1)C1CC[NH+](C)CC1 ZINC000932809915 1211823015 /nfs/dbraw/zinc/82/30/15/1211823015.db2.gz VYDYEOUANQOFBI-UHFFFAOYSA-N 2 1 357.458 0.474 10 30 FCEEMP C#CCN(C(=O)C(=O)NCCNc1cccc(C)[nH+]1)C1CC[NH+](C)CC1 ZINC000932817031 1211823656 /nfs/dbraw/zinc/82/36/56/1211823656.db2.gz FRXBHARFWLHGAF-UHFFFAOYSA-N 2 1 357.458 0.474 10 30 FCEEMP C=C1[C@H](C(=O)NC[C@@H]2CCC[NH+](C)C2)[C@H]1C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000900630748 1218015226 /nfs/dbraw/zinc/01/52/26/1218015226.db2.gz QEKKDSLVZCLUDA-XSLAGTTESA-N 2 1 362.518 0.705 10 30 FCEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](CNC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC001521910758 1266213581 /nfs/dbraw/zinc/21/35/81/1266213581.db2.gz KGCNVMXFGJZSPB-KURKYZTESA-N 2 1 360.502 0.391 10 30 FCEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](CNC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC001521910758 1266213589 /nfs/dbraw/zinc/21/35/89/1266213589.db2.gz KGCNVMXFGJZSPB-KURKYZTESA-N 2 1 360.502 0.391 10 30 FCEEMP C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@H]1C ZINC001264727464 1260403331 /nfs/dbraw/zinc/40/33/31/1260403331.db2.gz LWDFYISGUOLMKB-QAPCUYQASA-N 2 1 360.502 0.437 10 30 FCEEMP C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@H]1C ZINC001264727464 1260403335 /nfs/dbraw/zinc/40/33/35/1260403335.db2.gz LWDFYISGUOLMKB-QAPCUYQASA-N 2 1 360.502 0.437 10 30 FCEEMP C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001265977358 1260421523 /nfs/dbraw/zinc/42/15/23/1260421523.db2.gz YOEPUOKEIPKRFG-FGTMMUONSA-N 2 1 362.518 0.965 10 30 FCEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001522204737 1266415948 /nfs/dbraw/zinc/41/59/48/1266415948.db2.gz FMVCLYZOXPTFOJ-OWSLCNJRSA-N 2 1 372.513 0.674 10 30 FCEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001522204737 1266415949 /nfs/dbraw/zinc/41/59/49/1266415949.db2.gz FMVCLYZOXPTFOJ-OWSLCNJRSA-N 2 1 372.513 0.674 10 30 FCEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CCCC[NH+](C)C)[C@@H]1C ZINC001290660470 1262488215 /nfs/dbraw/zinc/48/82/15/1262488215.db2.gz XSQWVXIYEFNUMQ-SQNIBIBYSA-N 2 1 362.518 0.922 10 30 FCEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CCCC[NH+](C)C)[C@@H]1C ZINC001290660470 1262488216 /nfs/dbraw/zinc/48/82/16/1262488216.db2.gz XSQWVXIYEFNUMQ-SQNIBIBYSA-N 2 1 362.518 0.922 10 30 FCEEMP C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CCC)C[C@H]1C ZINC001479110225 1263168001 /nfs/dbraw/zinc/16/80/01/1263168001.db2.gz GEKBRZNHDJBOLQ-QLFBSQMISA-N 2 1 367.494 0.165 10 30 FCEEMP C[C@@H]1[C@H](C(=O)N(CC[NH2+]CC(=O)NCC#N)Cc2ccccc2)CC[N@H+]1C ZINC001484399640 1263469084 /nfs/dbraw/zinc/46/90/84/1263469084.db2.gz PYDFBTXUTACALV-SJLPKXTDSA-N 2 1 371.485 0.585 10 30 FCEEMP CC[C@@H]1[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CC(=O)NCC#N)CC[N@H+]1C ZINC001317096539 1263503126 /nfs/dbraw/zinc/50/31/26/1263503126.db2.gz YERGVYFOAAFAPA-LDBYLJPUSA-N 2 1 361.490 0.468 10 30 FCEEMP COCC#CC[NH2+]CCCOC1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001485443132 1263508497 /nfs/dbraw/zinc/50/84/97/1263508497.db2.gz KCKNDSIREOWHTL-IEBWSBKVSA-N 2 1 365.518 0.964 10 30 FCEEMP C#CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C1CC[NH+]([C@@H](CC)C(N)=O)CC1 ZINC001324397792 1264636077 /nfs/dbraw/zinc/63/60/77/1264636077.db2.gz SNHCWKGQXIWSAU-KSZLIROESA-N 2 1 362.518 0.907 10 30 FCEEMP C=CCN1CC[C@H]([N@H+]2CC[C@@H]3CN(C(=O)CCC[NH+](C)C)C[C@@H]3C2)C1=O ZINC001566048372 1269580508 /nfs/dbraw/zinc/58/05/08/1269580508.db2.gz LEGCQQSRBGZLLV-SQNIBIBYSA-N 2 1 362.518 0.895 10 30 FCEEMP C#CCNC(=O)[C@@H](C)[NH+](C)C1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001571331454 1269927910 /nfs/dbraw/zinc/92/79/10/1269927910.db2.gz WUDZBOZDCPJHGR-BPQIPLTHSA-N 2 1 362.518 0.777 10 30 FCEEMP C#CCNC(=O)[C@@H](C)[N@@H+](C)C1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001571331454 1269927919 /nfs/dbraw/zinc/92/79/19/1269927919.db2.gz WUDZBOZDCPJHGR-BPQIPLTHSA-N 2 1 362.518 0.777 10 30 FCEEMP C#CCNC(=O)[C@@H](C)[N@H+](C)C1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001571331454 1269927929 /nfs/dbraw/zinc/92/79/29/1269927929.db2.gz WUDZBOZDCPJHGR-BPQIPLTHSA-N 2 1 362.518 0.777 10 30 FCEEMP C[C@@H]1[C@H](C(=O)N[C@@H](C[NH2+]CC(=O)NCC#N)C2CCCCC2)CC[N@H+]1C ZINC001714975226 1287340435 /nfs/dbraw/zinc/34/04/35/1287340435.db2.gz KLPSTXRZDAPJJQ-OIISXLGYSA-N 2 1 363.506 0.621 10 30 FCEEMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](O)C[NH2+]CC#Cc2ccc(F)cc2)CC[N@H+]1C ZINC001716087801 1287370259 /nfs/dbraw/zinc/37/02/59/1287370259.db2.gz NKAWATHGQDAGPE-GBESFXJTSA-N 2 1 361.461 0.974 10 30 FCEEMP CC[C@@H]1[C@@H](C(=O)N[C@]2(CO)CCC[NH+](CC#CCOC)C2)CC[N@@H+]1C ZINC001717023594 1287403219 /nfs/dbraw/zinc/40/32/19/1287403219.db2.gz SEUAIHJNXKSFFO-YQVWRLOYSA-N 2 1 351.491 0.310 10 30 FCEEMP CC[C@@H]1[C@@H](C(=O)N[C@]2(CO)CCC[NH+](CC#CCOC)C2)CC[N@H+]1C ZINC001717023594 1287403224 /nfs/dbraw/zinc/40/32/24/1287403224.db2.gz SEUAIHJNXKSFFO-YQVWRLOYSA-N 2 1 351.491 0.310 10 30 FCEEMP CC[C@@H]1[C@@H](C(=O)N[C@]2(CO)CCC[N@H+](CC#CCOC)C2)CC[NH+]1C ZINC001717023594 1287403228 /nfs/dbraw/zinc/40/32/28/1287403228.db2.gz SEUAIHJNXKSFFO-YQVWRLOYSA-N 2 1 351.491 0.310 10 30 FCEEMP CC[C@@H]1[C@@H](C(=O)N[C@]2(CO)CCC[N@@H+](CC#CCOC)C2)CC[NH+]1C ZINC001717023594 1287403231 /nfs/dbraw/zinc/40/32/31/1287403231.db2.gz SEUAIHJNXKSFFO-YQVWRLOYSA-N 2 1 351.491 0.310 10 30 FCEEMP CCN(CCC#N)C(=O)C[N@@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)[C@H]1C ZINC001707257480 1287109111 /nfs/dbraw/zinc/10/91/11/1287109111.db2.gz WKYAXEBPLHICNY-CVEARBPZSA-N 2 1 363.506 0.812 10 30 FCEEMP CCN(CCC#N)C(=O)C[N@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)[C@H]1C ZINC001707257480 1287109114 /nfs/dbraw/zinc/10/91/14/1287109114.db2.gz WKYAXEBPLHICNY-CVEARBPZSA-N 2 1 363.506 0.812 10 30 FCEEMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)CN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001701625147 1289673245 /nfs/dbraw/zinc/67/32/45/1289673245.db2.gz RFCLSGXVMKQSLI-LZLYRXPVSA-N 2 1 362.518 0.635 10 30 FCEEMP C=CCNC(=O)NC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001666902502 1291925067 /nfs/dbraw/zinc/92/50/67/1291925067.db2.gz IUAVXJQREGCHIN-SOUVJXGZSA-N 2 1 367.494 0.165 10 30 FCEEMP C=C(Br)CN1CC[C@](O)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001278782417 862476057 /nfs/dbraw/zinc/47/60/57/862476057.db2.gz WWVWPOQIXSIRPV-NFAWXSAZSA-N 2 1 360.296 0.788 10 30 FCEEMP C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[N@H+](C)C(C)C ZINC001264010281 859279119 /nfs/dbraw/zinc/27/91/19/859279119.db2.gz SKISOYFPXGQEQA-IKGGRYGDSA-N 2 1 350.507 0.681 10 30 FCEEMP C=CCOCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](CC)CCO3)C[C@@H]2C1 ZINC001316761435 867461272 /nfs/dbraw/zinc/46/12/72/867461272.db2.gz VMHHHXKAZQSUGO-FGTMMUONSA-N 2 1 351.491 0.690 10 30 FCEEMP C=CCOCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](CC)CCO3)C[C@@H]2C1 ZINC001316761435 867461285 /nfs/dbraw/zinc/46/12/85/867461285.db2.gz VMHHHXKAZQSUGO-FGTMMUONSA-N 2 1 351.491 0.690 10 30 FCEEMP C=CCOCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](CC)CCO3)C[C@@H]2C1 ZINC001316761435 867461297 /nfs/dbraw/zinc/46/12/97/867461297.db2.gz VMHHHXKAZQSUGO-FGTMMUONSA-N 2 1 351.491 0.690 10 30 FCEEMP C=CCOCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](CC)CCO3)C[C@@H]2C1 ZINC001316761435 867461304 /nfs/dbraw/zinc/46/13/04/867461304.db2.gz VMHHHXKAZQSUGO-FGTMMUONSA-N 2 1 351.491 0.690 10 30 FCEEMP C[NH+]=C(NC[C@]1([NH+](C)C)CCSC1)N1CCO[C@H](c2cnn(C)c2)C1 ZINC000261808789 526378730 /nfs/dbraw/zinc/37/87/30/526378730.db2.gz SGEFFEYCGXNZCI-DOTOQJQBSA-N 2 1 366.535 0.806 10 30 FCEEMP C[NH+]=C(NC[C@](C)(O)C[NH+]1CCOCC1)N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000262440549 526378800 /nfs/dbraw/zinc/37/88/00/526378800.db2.gz UNMWEVAWYOCGKT-MKSNKDDYSA-N 2 1 368.522 0.438 10 30 FCEEMP CC[NH+]=C(NC[C@@H]1CCC[N@H+]1C)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000114086401 528809563 /nfs/dbraw/zinc/80/95/63/528809563.db2.gz UQOZAPGSKSWSRL-HOTGVXAUSA-N 2 1 351.495 0.369 10 30 FCEEMP CC[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000262353901 528810804 /nfs/dbraw/zinc/81/08/04/528810804.db2.gz FNMPKFBBHAQTIG-GJZGRUSLSA-N 2 1 356.536 0.993 10 30 FCEEMP CC[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000262353901 528810810 /nfs/dbraw/zinc/81/08/10/528810810.db2.gz FNMPKFBBHAQTIG-GJZGRUSLSA-N 2 1 356.536 0.993 10 30 FCEEMP CC[NH+]=C(NC[C@@H]1C[N@@H+](C)CCN1C)N1CCO[C@H](c2cnn(C)c2)C1 ZINC000261837320 528812152 /nfs/dbraw/zinc/81/21/52/528812152.db2.gz WGOJTUJUAUUGDC-SJORKVTESA-N 2 1 363.510 0.005 10 30 FCEEMP CC[NH+]=C(NC[C@]1([NH+](C)C)CCSC1)N[C@H]1CCc2ncnn2C1 ZINC000262769417 528815736 /nfs/dbraw/zinc/81/57/36/528815736.db2.gz IEEZWNJUSRFUET-XJKSGUPXSA-N 2 1 351.524 0.585 10 30 FCEEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000923201737 667811639 /nfs/dbraw/zinc/81/16/39/667811639.db2.gz SYBCGAHNTGUCBG-GVDBMIGSSA-N 2 1 352.527 0.886 10 30 FCEEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000923201737 667811642 /nfs/dbraw/zinc/81/16/42/667811642.db2.gz SYBCGAHNTGUCBG-GVDBMIGSSA-N 2 1 352.527 0.886 10 30 FCEEMP C=CCNC(=O)C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3cncn3C)[C@@H]2C1 ZINC001272085193 1192207269 /nfs/dbraw/zinc/20/72/69/1192207269.db2.gz IXZBEHGRZDKBIS-BVIKNXMNSA-N 2 1 371.485 0.749 10 30 FCEEMP COCC#CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001482770889 1192383714 /nfs/dbraw/zinc/38/37/14/1192383714.db2.gz WMVYMKDRBSPQJT-QRVBRYPASA-N 2 1 359.470 0.048 10 30 FCEEMP C[C@H](CC[NH2+]CC(=O)NCC#N)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001482875211 1192417711 /nfs/dbraw/zinc/41/77/11/1192417711.db2.gz XZWZVQRZWFGXSR-NXHRZFHOSA-N 2 1 371.485 0.456 10 30 FCEEMP CC[C@@H]1[C@@H](C(=O)N2CCC(C[NH+](C)CC(=O)NCC#N)CC2)CC[N@H+]1C ZINC001267729797 1182905112 /nfs/dbraw/zinc/90/51/12/1182905112.db2.gz GJBHIBPPSZYTES-DLBZAZTESA-N 2 1 363.506 0.527 10 30 FCEEMP C[C@@H]1[C@H](C(=O)N2CCC(CC[NH+](C)CC(=O)NCC#N)CC2)CC[N@H+]1C ZINC001268198308 1186624612 /nfs/dbraw/zinc/62/46/12/1186624612.db2.gz VIEHVMCPSATWAG-NVXWUHKLSA-N 2 1 363.506 0.527 10 30 FCEEMP C[C@@H]1[C@H](C(=O)N2CCC(CC[N@H+](C)CC(=O)NCC#N)CC2)CC[NH+]1C ZINC001268198308 1186624617 /nfs/dbraw/zinc/62/46/17/1186624617.db2.gz VIEHVMCPSATWAG-NVXWUHKLSA-N 2 1 363.506 0.527 10 30 FCEEMP C[C@@H]1[C@H](C(=O)N2CCC(CC[N@@H+](C)CC(=O)NCC#N)CC2)CC[NH+]1C ZINC001268198308 1186624621 /nfs/dbraw/zinc/62/46/21/1186624621.db2.gz VIEHVMCPSATWAG-NVXWUHKLSA-N 2 1 363.506 0.527 10 30 FCEEMP C=CCOCCCNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000911329312 1195935127 /nfs/dbraw/zinc/93/51/27/1195935127.db2.gz HYEOARCLZIAUAP-CALCHBBNSA-N 2 1 364.490 0.123 10 30 FCEEMP C=CCOCCCNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000911329312 1195935131 /nfs/dbraw/zinc/93/51/31/1195935131.db2.gz HYEOARCLZIAUAP-CALCHBBNSA-N 2 1 364.490 0.123 10 30 FCEEMP O=C1NC2(CO1)CC[NH+](CC#CC[NH+]1CCC3(COC(=O)N3)CC1)CC2 ZINC000792874901 1201217163 /nfs/dbraw/zinc/21/71/63/1201217163.db2.gz HEAQRBJTOWPZCI-UHFFFAOYSA-N 2 1 362.430 0.139 10 30 FCEEMP C#CCN(C(=O)C(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1)C1CC[NH+](C)CC1 ZINC000929694362 1211655411 /nfs/dbraw/zinc/65/54/11/1211655411.db2.gz KEXDKXSWNPXHKI-IRXDYDNUSA-N 2 1 362.518 0.779 10 30 FCEEMP C#CC[N@@H+](CCO[C@@H]1CCOC1)C1CCN(CCO[C@@H]2CCOC2)CC1 ZINC000931590145 1211761712 /nfs/dbraw/zinc/76/17/12/1211761712.db2.gz GNZQGIFOPGKPQV-WOJBJXKFSA-N 2 1 366.502 0.997 10 30 FCEEMP C#CCN(CCO[C@@H]1CCOC1)C1CC[NH+](CCO[C@@H]2CCOC2)CC1 ZINC000931590145 1211761716 /nfs/dbraw/zinc/76/17/16/1211761716.db2.gz GNZQGIFOPGKPQV-WOJBJXKFSA-N 2 1 366.502 0.997 10 30 FCEEMP C=C1[C@H](C(=O)N[C@@H]2CC[NH+](C)[C@H](C)C2)[C@@H]1C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000900830843 1218044444 /nfs/dbraw/zinc/04/44/44/1218044444.db2.gz OKNRWNBDKPCXFE-NGLMIUMZSA-N 2 1 362.518 0.986 10 30 FCEEMP C=C1[C@H](C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)[C@@H]1C(=O)N[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000900830843 1218044447 /nfs/dbraw/zinc/04/44/47/1218044447.db2.gz OKNRWNBDKPCXFE-NGLMIUMZSA-N 2 1 362.518 0.986 10 30 FCEEMP C=C1[C@H](C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)[C@@H]1C(=O)N[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000900830843 1218044451 /nfs/dbraw/zinc/04/44/51/1218044451.db2.gz OKNRWNBDKPCXFE-NGLMIUMZSA-N 2 1 362.518 0.986 10 30 FCEEMP C#CCN(C(=O)C(=O)NCCCCn1cc[nH+]c1C)C1CC[NH+](C)CC1 ZINC001119819045 1221978259 /nfs/dbraw/zinc/97/82/59/1221978259.db2.gz FTLURVLORJRWTF-UHFFFAOYSA-N 2 1 359.474 0.644 10 30 FCEEMP C=CCCOCCNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001120420981 1222081948 /nfs/dbraw/zinc/08/19/48/1222081948.db2.gz SWGGUDPYAFTBNN-CALCHBBNSA-N 2 1 364.490 0.123 10 30 FCEEMP C=CCCOCCNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001120420981 1222081951 /nfs/dbraw/zinc/08/19/51/1222081951.db2.gz SWGGUDPYAFTBNN-CALCHBBNSA-N 2 1 364.490 0.123 10 30 FCEEMP C#CC[N@H+](C)CCCNC(=O)NCc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC000836222084 1222618659 /nfs/dbraw/zinc/61/86/59/1222618659.db2.gz VIQUICCWRCHVLK-UHFFFAOYSA-N 2 1 372.517 0.978 10 30 FCEEMP C[C@@H]1[C@H](C(=O)NC[C@@]2(O)CC[NH+](Cc3ccccc3C#N)C2)CC[N@@H+]1C ZINC001278781578 1260730761 /nfs/dbraw/zinc/73/07/61/1260730761.db2.gz KQVYKXYQMCBSJJ-ZTNFWEORSA-N 2 1 356.470 0.951 10 30 FCEEMP C[C@@H]1[C@H](C(=O)NC[C@@]2(O)CC[NH+](Cc3ccccc3C#N)C2)CC[N@H+]1C ZINC001278781578 1260730764 /nfs/dbraw/zinc/73/07/64/1260730764.db2.gz KQVYKXYQMCBSJJ-ZTNFWEORSA-N 2 1 356.470 0.951 10 30 FCEEMP C[C@@H]1[C@H](C(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3C#N)C2)CC[NH+]1C ZINC001278781578 1260730770 /nfs/dbraw/zinc/73/07/70/1260730770.db2.gz KQVYKXYQMCBSJJ-ZTNFWEORSA-N 2 1 356.470 0.951 10 30 FCEEMP C[C@@H]1[C@H](C(=O)NC[C@@]2(O)CC[N@@H+](Cc3ccccc3C#N)C2)CC[NH+]1C ZINC001278781578 1260730778 /nfs/dbraw/zinc/73/07/78/1260730778.db2.gz KQVYKXYQMCBSJJ-ZTNFWEORSA-N 2 1 356.470 0.951 10 30 FCEEMP C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)C[N@H+](C)C(C)C)[C@H]2C)CC1 ZINC001282352665 1261422466 /nfs/dbraw/zinc/42/24/66/1261422466.db2.gz YHNDOHMMFBTRPI-AEFFLSMTSA-N 2 1 362.518 0.777 10 30 FCEEMP C=CCNC(=O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CC[NH+]1CCOCC1 ZINC001479580340 1263263441 /nfs/dbraw/zinc/26/34/41/1263263441.db2.gz UWGXQABVLYNGOF-SJORKVTESA-N 2 1 366.506 0.228 10 30 FCEEMP C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)[C@@H]1CCC[NH2+]CC(=O)NCC#N ZINC001479589924 1263267294 /nfs/dbraw/zinc/26/72/94/1263267294.db2.gz NLXLQUWABQKKKZ-ZACQAIPSSA-N 2 1 363.506 0.717 10 30 FCEEMP C=CCN1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)Cn3c[nH+]cc3C)C2)C1=O ZINC001316656101 1263401601 /nfs/dbraw/zinc/40/16/01/1263401601.db2.gz UFOHKHVOJZBWFG-BBWFWOEESA-N 2 1 359.474 0.853 10 30 FCEEMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC(=O)NC(C)C)[C@@H]2CC)CC1 ZINC001316741856 1263448428 /nfs/dbraw/zinc/44/84/28/1263448428.db2.gz GADZNFXAWUEWOP-ZWKOTPCHSA-N 2 1 362.518 0.825 10 30 FCEEMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC(=O)NC(C)C)[C@@H]2CC)CC1 ZINC001316741856 1263448429 /nfs/dbraw/zinc/44/84/29/1263448429.db2.gz GADZNFXAWUEWOP-ZWKOTPCHSA-N 2 1 362.518 0.825 10 30 FCEEMP C#CCNC(=O)C[NH2+]C/C=C\CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001497684119 1263948803 /nfs/dbraw/zinc/94/88/03/1263948803.db2.gz XEGBHEAXXVGMIL-YMHTTXFNSA-N 2 1 368.481 0.343 10 30 FCEEMP C#CC[NH+](C)CCCC(=O)N1CCC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001499542143 1264035132 /nfs/dbraw/zinc/03/51/32/1264035132.db2.gz AUEJQFTWZVNYJK-SJLPKXTDSA-N 2 1 362.518 0.779 10 30 FCEEMP C#CC[N@@H+](C)CCCC(=O)N1CCC(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001499542143 1264035140 /nfs/dbraw/zinc/03/51/40/1264035140.db2.gz AUEJQFTWZVNYJK-SJLPKXTDSA-N 2 1 362.518 0.779 10 30 FCEEMP C#CC[N@H+](C)CCCC(=O)N1CCC(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001499542143 1264035149 /nfs/dbraw/zinc/03/51/49/1264035149.db2.gz AUEJQFTWZVNYJK-SJLPKXTDSA-N 2 1 362.518 0.779 10 30 FCEEMP C=CCO[C@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1 ZINC001322997832 1264311449 /nfs/dbraw/zinc/31/14/49/1264311449.db2.gz KUASHHZTINPCLX-RDJZCZTQSA-N 2 1 364.490 0.075 10 30 FCEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001342478988 1269486454 /nfs/dbraw/zinc/48/64/54/1269486454.db2.gz SKEXUNHIAHLRCP-KURKYZTESA-N 2 1 362.518 0.779 10 30 FCEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001342478988 1269486457 /nfs/dbraw/zinc/48/64/57/1269486457.db2.gz SKEXUNHIAHLRCP-KURKYZTESA-N 2 1 362.518 0.779 10 30 FCEEMP C=CCNC(=O)[C@H](C)[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001570052075 1269833834 /nfs/dbraw/zinc/83/38/34/1269833834.db2.gz HPOIHDXOJGRSRF-IXDOHACOSA-N 2 1 362.518 0.942 10 30 FCEEMP C#CCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C[C@@H]2C1 ZINC001707225082 1287072122 /nfs/dbraw/zinc/07/21/22/1287072122.db2.gz CYSHDKSIBRGJIG-SQNIBIBYSA-N 2 1 360.502 0.391 10 30 FCEEMP C#CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3CC)C[C@@H]2C1 ZINC001707225082 1287072134 /nfs/dbraw/zinc/07/21/34/1287072134.db2.gz CYSHDKSIBRGJIG-SQNIBIBYSA-N 2 1 360.502 0.391 10 30 FCEEMP C#CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3CC)C[C@@H]2C1 ZINC001707225082 1287072143 /nfs/dbraw/zinc/07/21/43/1287072143.db2.gz CYSHDKSIBRGJIG-SQNIBIBYSA-N 2 1 360.502 0.391 10 30 FCEEMP C[C@@H](C[NH2+]CC(=O)NCC#Cc1ccccc1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001732996324 1288599001 /nfs/dbraw/zinc/59/90/01/1288599001.db2.gz VVKPBHMBSCCFQU-YQVWRLOYSA-N 2 1 370.497 0.589 10 30 FCEEMP C=CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@@H]2C1 ZINC001656810761 1291564710 /nfs/dbraw/zinc/56/47/10/1291564710.db2.gz XAJVGWSENYGFNM-FGTMMUONSA-N 2 1 360.502 0.411 10 30 FCEEMP CCO[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]CC#CCOC ZINC001264536210 859377498 /nfs/dbraw/zinc/37/74/98/859377498.db2.gz OUWQWJVJXPXNKB-KZNAEPCWSA-N 2 1 351.491 0.431 10 30 FCEEMP C=CCN1CC[C@@H]([NH+](C)CCCNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1=O ZINC001264987609 859451266 /nfs/dbraw/zinc/45/12/66/859451266.db2.gz DKOQIXFTWGBXPM-GVDBMIGSSA-N 2 1 350.507 0.942 10 30 FCEEMP C=CCN1CC[C@@H]([N@@H+](C)CCCNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1=O ZINC001264987609 859451269 /nfs/dbraw/zinc/45/12/69/859451269.db2.gz DKOQIXFTWGBXPM-GVDBMIGSSA-N 2 1 350.507 0.942 10 30 FCEEMP C=CCN1CC[C@@H]([N@H+](C)CCCNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1=O ZINC001264987609 859451274 /nfs/dbraw/zinc/45/12/74/859451274.db2.gz DKOQIXFTWGBXPM-GVDBMIGSSA-N 2 1 350.507 0.942 10 30 FCEEMP N#CC1(C[C@@H](O)C[NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)CCOCC1 ZINC001331852380 873274839 /nfs/dbraw/zinc/27/48/39/873274839.db2.gz XHBVHZCJSZPGMA-JKSUJKDBSA-N 2 1 352.479 0.235 10 30 FCEEMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)CC1 ZINC000419702799 246259254 /nfs/dbraw/zinc/25/92/54/246259254.db2.gz BZXNLDYFAKVEOU-GOSISDBHSA-N 2 1 371.485 0.711 10 30 FCEEMP C[C@@H]1C[C@@H](NC(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)C[N@@H+]1C1CC1 ZINC000329992768 489058855 /nfs/dbraw/zinc/05/88/55/489058855.db2.gz XUZNRARBZUXFEQ-HUUCEWRRSA-N 2 1 351.495 0.622 10 30 FCEEMP C[C@@H]1C[C@@H](NC(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)C[N@H+]1C1CC1 ZINC000329992768 489058856 /nfs/dbraw/zinc/05/88/56/489058856.db2.gz XUZNRARBZUXFEQ-HUUCEWRRSA-N 2 1 351.495 0.622 10 30 FCEEMP C=CC[NH+]1CCC(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](CC)C[C@H]2C)CC1 ZINC000581901114 491789784 /nfs/dbraw/zinc/78/97/84/491789784.db2.gz FTHWYBQBQJELJX-NVXWUHKLSA-N 2 1 350.507 0.942 10 30 FCEEMP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C[C@H](O)CC1(C#N)CCOCC1 ZINC000600721343 491878727 /nfs/dbraw/zinc/87/87/27/491878727.db2.gz CHLHWGSPRPYXDZ-SJORKVTESA-N 2 1 366.506 0.590 10 30 FCEEMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C[C@H](O)CC1(C#N)CCOCC1 ZINC000600721343 491878728 /nfs/dbraw/zinc/87/87/28/491878728.db2.gz CHLHWGSPRPYXDZ-SJORKVTESA-N 2 1 366.506 0.590 10 30 FCEEMP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]C[C@@H](O)CC1(C#N)CCOCC1 ZINC000600721338 491878851 /nfs/dbraw/zinc/87/88/51/491878851.db2.gz CHLHWGSPRPYXDZ-DLBZAZTESA-N 2 1 366.506 0.590 10 30 FCEEMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]C[C@@H](O)CC1(C#N)CCOCC1 ZINC000600721338 491878853 /nfs/dbraw/zinc/87/88/53/491878853.db2.gz CHLHWGSPRPYXDZ-DLBZAZTESA-N 2 1 366.506 0.590 10 30 FCEEMP C[C@@H](C(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1)n1cnc(C#N)n1 ZINC000619595065 492270931 /nfs/dbraw/zinc/27/09/31/492270931.db2.gz JRCQNLFTGDEZCO-HNNXBMFYSA-N 2 1 359.478 0.777 10 30 FCEEMP C[NH+]=C(NC[C@@H]1CCN(S(C)(=O)=O)C1)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000262017146 526371241 /nfs/dbraw/zinc/37/12/41/526371241.db2.gz XYCWLVXKJDRTEG-QLFBSQMISA-N 2 1 359.540 0.162 10 30 FCEEMP C[NH+]=C(NC[C@H]1C[N@@H+](C)CCN1C)N1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000261815144 526377071 /nfs/dbraw/zinc/37/70/71/526377071.db2.gz HYXQKZXSRTXDTI-HNNXBMFYSA-N 2 1 352.527 0.139 10 30 FCEEMP CC[NH+]=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261976732 528809034 /nfs/dbraw/zinc/80/90/34/528809034.db2.gz NWOAZYNQDADPGU-AWEZNQCLSA-N 2 1 356.536 0.945 10 30 FCEEMP CC[N@H+]1CCC[C@H]1CN(C)C(NCC1CCN(S(C)(=O)=O)CC1)=[NH+]C ZINC000162278097 529092423 /nfs/dbraw/zinc/09/24/23/529092423.db2.gz APUZOOWHZLCAPK-INIZCTEOSA-N 2 1 373.567 0.650 10 30 FCEEMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCc1csc(N2CCCC2)n1 ZINC000304765151 674583243 /nfs/dbraw/zinc/58/32/43/674583243.db2.gz YXSVXSAENZPQQW-UHFFFAOYSA-N 2 1 366.535 0.912 10 30 FCEEMP CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001270050847 1187978319 /nfs/dbraw/zinc/97/83/19/1187978319.db2.gz PNSYMFZVQOLZSF-IXDOHACOSA-N 2 1 363.506 0.669 10 30 FCEEMP C#CCNC(=O)[C@H](C)[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CC2 ZINC001270844400 1188333824 /nfs/dbraw/zinc/33/38/24/1188333824.db2.gz CXYOJZXIQKKDKA-IXDOHACOSA-N 2 1 360.502 0.389 10 30 FCEEMP C#CCNC(=O)[C@H](C)[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CC2 ZINC001270844400 1188333830 /nfs/dbraw/zinc/33/38/30/1188333830.db2.gz CXYOJZXIQKKDKA-IXDOHACOSA-N 2 1 360.502 0.389 10 30 FCEEMP C=C1[C@H](C(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)[C@@H]1C(=O)N1CC[C@@H]2C[NH+](C)C[C@@H]21 ZINC000908350461 1195739882 /nfs/dbraw/zinc/73/98/82/1195739882.db2.gz ZENYDDRDOBFKCZ-LMMHAMTPSA-N 2 1 358.486 0.114 10 30 FCEEMP C=C1[C@H](C(=O)N2CC[C@@H]3C[NH+](C)C[C@@H]32)[C@@H]1C(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000908350461 1195739888 /nfs/dbraw/zinc/73/98/88/1195739888.db2.gz ZENYDDRDOBFKCZ-LMMHAMTPSA-N 2 1 358.486 0.114 10 30 FCEEMP C=C1[C@H](C(=O)N2CC[C@@H]3C[NH+](C)C[C@@H]32)[C@@H]1C(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000908350461 1195739895 /nfs/dbraw/zinc/73/98/95/1195739895.db2.gz ZENYDDRDOBFKCZ-LMMHAMTPSA-N 2 1 358.486 0.114 10 30 FCEEMP C=CCNC(=O)C[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001490596242 1209383097 /nfs/dbraw/zinc/38/30/97/1209383097.db2.gz VLSPKWDIPGFQGN-GVDBMIGSSA-N 2 1 362.518 0.990 10 30 FCEEMP CC(C)[N@@H+]1CCO[C@@H](C(=[NH2+])NOCC(=O)NCc2ccc(C#N)cc2)C1 ZINC000779651795 1212806157 /nfs/dbraw/zinc/80/61/57/1212806157.db2.gz FMWADQYVNVPAEQ-MRXNPFEDSA-N 2 1 359.430 0.782 10 30 FCEEMP CC(C)[N@H+]1CCO[C@@H](C(=[NH2+])NOCC(=O)NCc2ccc(C#N)cc2)C1 ZINC000779651795 1212806158 /nfs/dbraw/zinc/80/61/58/1212806158.db2.gz FMWADQYVNVPAEQ-MRXNPFEDSA-N 2 1 359.430 0.782 10 30 FCEEMP C#CCN(C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)C1CC[NH+](C)CC1 ZINC000918907600 1245588036 /nfs/dbraw/zinc/58/80/36/1245588036.db2.gz ZVWPWBGUAHINHH-QGZVFWFLSA-N 2 1 361.534 0.894 10 30 FCEEMP C#CCN(C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)C1CC[NH+](C)CC1 ZINC000918907600 1245588043 /nfs/dbraw/zinc/58/80/43/1245588043.db2.gz ZVWPWBGUAHINHH-QGZVFWFLSA-N 2 1 361.534 0.894 10 30 FCEEMP N#CC1(C[C@@H](O)C[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)CCOCC1 ZINC001329149458 1265701188 /nfs/dbraw/zinc/70/11/88/1265701188.db2.gz PQLHRNGCDIGNGM-ZWKOTPCHSA-N 2 1 366.506 0.054 10 30 FCEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[C@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001282127766 1261349087 /nfs/dbraw/zinc/34/90/87/1261349087.db2.gz WWSLVMNOOJTBQW-KSZLIROESA-N 2 1 362.518 0.825 10 30 FCEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[C@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001282127766 1261349092 /nfs/dbraw/zinc/34/90/92/1261349092.db2.gz WWSLVMNOOJTBQW-KSZLIROESA-N 2 1 362.518 0.825 10 30 FCEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[C@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001282127766 1261349097 /nfs/dbraw/zinc/34/90/97/1261349097.db2.gz WWSLVMNOOJTBQW-KSZLIROESA-N 2 1 362.518 0.825 10 30 FCEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[C@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001282127766 1261349100 /nfs/dbraw/zinc/34/91/00/1261349100.db2.gz WWSLVMNOOJTBQW-KSZLIROESA-N 2 1 362.518 0.825 10 30 FCEEMP CCO[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2CC)C[C@H]1C[NH2+]CC#CCOC ZINC001479547507 1263248853 /nfs/dbraw/zinc/24/88/53/1263248853.db2.gz UEFFYBHJPPBROW-GUDVDZBRSA-N 2 1 365.518 0.964 10 30 FCEEMP C#CCNC(=O)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001483804775 1263445607 /nfs/dbraw/zinc/44/56/07/1263445607.db2.gz TYVMAFNLRMTYOC-SLUKUZTOSA-N 2 1 369.469 0.764 10 30 FCEEMP C=CCOCC[NH+]1CC[C@H](N2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1 ZINC001484024470 1263452970 /nfs/dbraw/zinc/45/29/70/1263452970.db2.gz WWLZVGUALOYJEM-CEXWTWQISA-N 2 1 364.534 0.748 10 30 FCEEMP C=CCOCC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC001484024470 1263452978 /nfs/dbraw/zinc/45/29/78/1263452978.db2.gz WWLZVGUALOYJEM-CEXWTWQISA-N 2 1 364.534 0.748 10 30 FCEEMP C=CCOCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC001484024470 1263452982 /nfs/dbraw/zinc/45/29/82/1263452982.db2.gz WWLZVGUALOYJEM-CEXWTWQISA-N 2 1 364.534 0.748 10 30 FCEEMP C=CCNC(=O)C[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)[C@@H]2C1 ZINC001484470749 1263476043 /nfs/dbraw/zinc/47/60/43/1263476043.db2.gz QEJLLVWSOLDQLW-WNRNVDISSA-N 2 1 362.518 0.942 10 30 FCEEMP C=CCNC(=O)C[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)[C@@H]2C1 ZINC001484470749 1263476053 /nfs/dbraw/zinc/47/60/53/1263476053.db2.gz QEJLLVWSOLDQLW-WNRNVDISSA-N 2 1 362.518 0.942 10 30 FCEEMP C=CCNC(=O)C[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)[C@@H]2C1 ZINC001484470749 1263476061 /nfs/dbraw/zinc/47/60/61/1263476061.db2.gz QEJLLVWSOLDQLW-WNRNVDISSA-N 2 1 362.518 0.942 10 30 FCEEMP C=CCNC(=O)C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)[C@@H]2C1 ZINC001484470749 1263476067 /nfs/dbraw/zinc/47/60/67/1263476067.db2.gz QEJLLVWSOLDQLW-WNRNVDISSA-N 2 1 362.518 0.942 10 30 FCEEMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC(=O)N(CC)CC)[C@@H]2C)CC1 ZINC001316799904 1263489665 /nfs/dbraw/zinc/48/96/65/1263489665.db2.gz MRXDRCUVJARLKA-AEFFLSMTSA-N 2 1 362.518 0.779 10 30 FCEEMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC(=O)N(CC)CC)[C@@H]2C)CC1 ZINC001316799904 1263489672 /nfs/dbraw/zinc/48/96/72/1263489672.db2.gz MRXDRCUVJARLKA-AEFFLSMTSA-N 2 1 362.518 0.779 10 30 FCEEMP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[NH+](CC(=O)NCC#N)CC(C)(C)C2)CC[N@H+]1C ZINC001316811002 1263492011 /nfs/dbraw/zinc/49/20/11/1263492011.db2.gz MWWOOVGKOUUVOG-BZUAXINKSA-N 2 1 363.506 0.573 10 30 FCEEMP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)CC(C)(C)C2)CC[NH+]1C ZINC001316811002 1263492016 /nfs/dbraw/zinc/49/20/16/1263492016.db2.gz MWWOOVGKOUUVOG-BZUAXINKSA-N 2 1 363.506 0.573 10 30 FCEEMP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)CC(C)(C)C2)CC[NH+]1C ZINC001316811002 1263492020 /nfs/dbraw/zinc/49/20/20/1263492020.db2.gz MWWOOVGKOUUVOG-BZUAXINKSA-N 2 1 363.506 0.573 10 30 FCEEMP C#CC[NH+]1CCC(C(=O)NCCN(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001496144033 1263860692 /nfs/dbraw/zinc/86/06/92/1263860692.db2.gz UCFVGVDDYCKFHD-ZWKOTPCHSA-N 2 1 362.518 0.637 10 30 FCEEMP CC[C@@H]1[C@@H](C(=O)NC[C@@]2(C)CCC[NH+](CC(=O)NCC#N)C2)CC[N@@H+]1C ZINC001500499277 1264070768 /nfs/dbraw/zinc/07/07/68/1264070768.db2.gz UMRQHWHAXPDPJG-FRQCXROJSA-N 2 1 363.506 0.575 10 30 FCEEMP CC[C@@H]1[C@@H](C(=O)NC[C@@]2(C)CCC[NH+](CC(=O)NCC#N)C2)CC[N@H+]1C ZINC001500499277 1264070774 /nfs/dbraw/zinc/07/07/74/1264070774.db2.gz UMRQHWHAXPDPJG-FRQCXROJSA-N 2 1 363.506 0.575 10 30 FCEEMP CC[C@@H]1[C@@H](C(=O)NC[C@@]2(C)CCC[N@H+](CC(=O)NCC#N)C2)CC[NH+]1C ZINC001500499277 1264070781 /nfs/dbraw/zinc/07/07/81/1264070781.db2.gz UMRQHWHAXPDPJG-FRQCXROJSA-N 2 1 363.506 0.575 10 30 FCEEMP CC[C@@H]1[C@@H](C(=O)NC[C@@]2(C)CCC[N@@H+](CC(=O)NCC#N)C2)CC[NH+]1C ZINC001500499277 1264070787 /nfs/dbraw/zinc/07/07/87/1264070787.db2.gz UMRQHWHAXPDPJG-FRQCXROJSA-N 2 1 363.506 0.575 10 30 FCEEMP C#CCCCC(=O)NCCC[NH+]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001524058620 1266680764 /nfs/dbraw/zinc/68/07/64/1266680764.db2.gz DQGRHMWWQAIOPN-QZTJIDSGSA-N 2 1 362.518 0.781 10 30 FCEEMP C#CCCCC(=O)NCCC[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001524058620 1266680771 /nfs/dbraw/zinc/68/07/71/1266680771.db2.gz DQGRHMWWQAIOPN-QZTJIDSGSA-N 2 1 362.518 0.781 10 30 FCEEMP C#CCNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001565901422 1269512712 /nfs/dbraw/zinc/51/27/12/1269512712.db2.gz ZJCJBRKHEJGDPY-KSZLIROESA-N 2 1 362.518 0.731 10 30 FCEEMP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@@H]2C1 ZINC001566054262 1269588063 /nfs/dbraw/zinc/58/80/63/1269588063.db2.gz UCQAKPJWDUQPTA-OIISXLGYSA-N 2 1 359.474 0.663 10 30 FCEEMP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@@H]2C1 ZINC001566054262 1269588070 /nfs/dbraw/zinc/58/80/70/1269588070.db2.gz UCQAKPJWDUQPTA-OIISXLGYSA-N 2 1 359.474 0.663 10 30 FCEEMP CC[C@@H]1[C@@H](C(=O)NC[C@H](CO)[NH2+]CC#Cc2ccc(F)cc2)CC[N@H+]1C ZINC001571429535 1269933481 /nfs/dbraw/zinc/93/34/81/1269933481.db2.gz GIOSJQICFIJBMF-CEXWTWQISA-N 2 1 361.461 0.974 10 30 FCEEMP CCN(CCC#N)C(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001707118733 1286456248 /nfs/dbraw/zinc/45/62/48/1286456248.db2.gz DMEGTYNQMNWRIF-GVDBMIGSSA-N 2 1 363.506 0.575 10 30 FCEEMP C=CCNC(=O)C[NH+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001707272906 1287133136 /nfs/dbraw/zinc/13/31/36/1287133136.db2.gz JGHUONGCLIDPJG-IXDOHACOSA-N 2 1 350.507 0.942 10 30 FCEEMP C=CCNC(=O)C[NH+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001707272906 1287133140 /nfs/dbraw/zinc/13/31/40/1287133140.db2.gz JGHUONGCLIDPJG-IXDOHACOSA-N 2 1 350.507 0.942 10 30 FCEEMP C=CCNC(=O)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001707272906 1287133141 /nfs/dbraw/zinc/13/31/41/1287133141.db2.gz JGHUONGCLIDPJG-IXDOHACOSA-N 2 1 350.507 0.942 10 30 FCEEMP C=CCNC(=O)C[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001707272906 1287133147 /nfs/dbraw/zinc/13/31/47/1287133147.db2.gz JGHUONGCLIDPJG-IXDOHACOSA-N 2 1 350.507 0.942 10 30 FCEEMP C#CC[NH+]1CCC(C(=O)N(C)CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001721086763 1288289079 /nfs/dbraw/zinc/28/90/79/1288289079.db2.gz XNFBEGDAJRKATR-ZWKOTPCHSA-N 2 1 362.518 0.637 10 30 FCEEMP C=CCNC(=O)C[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@@]2(C)C1 ZINC001734199298 1288645571 /nfs/dbraw/zinc/64/55/71/1288645571.db2.gz TUGMHJLBFKGTMC-SMOSDQRPSA-N 2 1 362.518 0.799 10 30 FCEEMP C=CCNC(=O)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@@]2(C)C1 ZINC001734199298 1288645574 /nfs/dbraw/zinc/64/55/74/1288645574.db2.gz TUGMHJLBFKGTMC-SMOSDQRPSA-N 2 1 362.518 0.799 10 30 FCEEMP C=CCNC(=O)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@@]2(C)C1 ZINC001734199298 1288645579 /nfs/dbraw/zinc/64/55/79/1288645579.db2.gz TUGMHJLBFKGTMC-SMOSDQRPSA-N 2 1 362.518 0.799 10 30 FCEEMP CC[C@@H]1[C@@H](C(=O)NC2(CO)CC[NH+](CC#CCOC)CC2)CC[N@@H+]1C ZINC001700337005 1289592731 /nfs/dbraw/zinc/59/27/31/1289592731.db2.gz VIQNELUMCQNANH-DLBZAZTESA-N 2 1 351.491 0.310 10 30 FCEEMP CC[C@@H]1[C@@H](C(=O)NC2(CO)CC[NH+](CC#CCOC)CC2)CC[N@H+]1C ZINC001700337005 1289592737 /nfs/dbraw/zinc/59/27/37/1289592737.db2.gz VIQNELUMCQNANH-DLBZAZTESA-N 2 1 351.491 0.310 10 30 FCEEMP C#Cc1cccc(NC(=O)NC(=O)C[NH+]2CCC(O)(C[NH+](C)C)CC2)c1 ZINC001647903229 1291083296 /nfs/dbraw/zinc/08/32/96/1291083296.db2.gz AYGNWUVTRBTWQN-UHFFFAOYSA-N 2 1 358.442 0.705 10 30 FCEEMP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001656254769 1291503472 /nfs/dbraw/zinc/50/34/72/1291503472.db2.gz ZVIBCGFTWALCMP-YTQUADARSA-N 2 1 370.497 0.660 10 30 FCEEMP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001656254769 1291503478 /nfs/dbraw/zinc/50/34/78/1291503478.db2.gz ZVIBCGFTWALCMP-YTQUADARSA-N 2 1 370.497 0.660 10 30 FCEEMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CC[N@H+](C)CC)CC1 ZINC001686183679 1292805904 /nfs/dbraw/zinc/80/59/04/1292805904.db2.gz KIEHZNLQSWQHOW-QRVBRYPASA-N 2 1 374.529 0.922 10 30 FCEEMP C=CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001263861646 859221849 /nfs/dbraw/zinc/22/18/49/859221849.db2.gz ILBJDIXDNACFEC-QUSNUVHPSA-N 2 1 350.507 0.892 10 30 FCEEMP C[N@@H+]1CCC[C@@H](N2CC[NH+](C[C@H](O)CC3(C#N)CCOCC3)CC2)C1 ZINC001331571969 873150125 /nfs/dbraw/zinc/15/01/25/873150125.db2.gz NRRUCFWSJDTKCU-QZTJIDSGSA-N 2 1 350.507 0.770 10 30 FCEEMP C[N@H+]1CCC[C@@H](N2CC[NH+](C[C@H](O)CC3(C#N)CCOCC3)CC2)C1 ZINC001331571969 873150126 /nfs/dbraw/zinc/15/01/26/873150126.db2.gz NRRUCFWSJDTKCU-QZTJIDSGSA-N 2 1 350.507 0.770 10 30 FCEEMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000599964747 492223786 /nfs/dbraw/zinc/22/37/86/492223786.db2.gz BMAXYIBZQQABRN-MAUKXSAKSA-N 2 1 369.469 0.459 10 30 FCEEMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000599964747 492223788 /nfs/dbraw/zinc/22/37/88/492223788.db2.gz BMAXYIBZQQABRN-MAUKXSAKSA-N 2 1 369.469 0.459 10 30 FCEEMP CC[C@@H]1[C@@H](C(=O)NCC#CCNC(=O)[C@@H]2CC[N@@H+](C)[C@H]2CC)CC[NH+]1C ZINC000632380308 492987399 /nfs/dbraw/zinc/98/73/99/492987399.db2.gz WTRRRGRRCFUPPJ-FZDBZEDMSA-N 2 1 362.518 0.683 10 30 FCEEMP CC[C@@H]1[C@@H](C(=O)NCC#CCNC(=O)[C@@H]2CC[NH+](C)[C@H]2CC)CC[N@@H+]1C ZINC000632380308 492987401 /nfs/dbraw/zinc/98/74/01/492987401.db2.gz WTRRRGRRCFUPPJ-FZDBZEDMSA-N 2 1 362.518 0.683 10 30 FCEEMP CC[C@@H]1[C@@H](C(=O)NCC#CCNC(=O)[C@@H]2CC[NH+](C)[C@H]2CC)CC[N@H+]1C ZINC000632380308 492987404 /nfs/dbraw/zinc/98/74/04/492987404.db2.gz WTRRRGRRCFUPPJ-FZDBZEDMSA-N 2 1 362.518 0.683 10 30 FCEEMP CC[NH+]=C(NC[C@@H]1CCC[N@H+]1C)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000261791242 528809538 /nfs/dbraw/zinc/80/95/38/528809538.db2.gz QJZGBKWDJDPNBU-KSSFIOAISA-N 2 1 364.494 0.356 10 30 FCEEMP CC[NH+]=C(NC[C@@H]1CCN(S(C)(=O)=O)C1)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000158441059 528810835 /nfs/dbraw/zinc/81/08/35/528810835.db2.gz AUNRXCNDUUXNCO-HRCADAONSA-N 2 1 373.567 0.552 10 30 FCEEMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCCCN1S(=O)(=O)N(C)C ZINC000262268038 529073050 /nfs/dbraw/zinc/07/30/50/529073050.db2.gz HTJVVXQQGZENLV-CABCVRRESA-N 2 1 374.555 0.036 10 30 FCEEMP C#CCC[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001772515087 1168426649 /nfs/dbraw/zinc/42/66/49/1168426649.db2.gz WVYAAKMATHUTSN-OKZBNKHCSA-N 2 1 362.518 0.684 10 30 FCEEMP C[NH+](C)CC#CCNC(=O)NC[C@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC001687181592 1169095147 /nfs/dbraw/zinc/09/51/47/1169095147.db2.gz OKOAHSSSNAMMKU-IBGZPJMESA-N 2 1 357.502 0.667 10 30 FCEEMP C[NH+](C)CC#CCNC(=O)NC[C@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC001687181592 1169095157 /nfs/dbraw/zinc/09/51/57/1169095157.db2.gz OKOAHSSSNAMMKU-IBGZPJMESA-N 2 1 357.502 0.667 10 30 FCEEMP C=CCNC(=O)C[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001481977697 1187561449 /nfs/dbraw/zinc/56/14/49/1187561449.db2.gz OSSCBZSTOJFGPV-IXDOHACOSA-N 2 1 350.507 0.847 10 30 FCEEMP C=CCNC(=O)C[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001481977696 1187561848 /nfs/dbraw/zinc/56/18/48/1187561848.db2.gz OSSCBZSTOJFGPV-BRWVUGGUSA-N 2 1 350.507 0.847 10 30 FCEEMP C#CCN(C(=O)C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1)C1CC[NH+](C)CC1 ZINC000910887761 1195858546 /nfs/dbraw/zinc/85/85/46/1195858546.db2.gz UHSIZXARBCXXBD-SFHVURJKSA-N 2 1 374.529 0.733 10 30 FCEEMP C#CC[NH+]1CCC(c2nc(CC(=O)N3CCC([NH+](C)C)CC3)no2)CC1 ZINC000771473783 1200588090 /nfs/dbraw/zinc/58/80/90/1200588090.db2.gz ZCZXOZBLCICPBO-UHFFFAOYSA-N 2 1 359.474 0.977 10 30 FCEEMP C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC[N@H+](C)CC)C3)CC1 ZINC001490713961 1209411409 /nfs/dbraw/zinc/41/14/09/1209411409.db2.gz QPOQQFHEWKBIQB-QYZOEREBSA-N 2 1 374.529 0.922 10 30 FCEEMP N#Cc1cccc(NC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)c1 ZINC000927834229 1211583965 /nfs/dbraw/zinc/58/39/65/1211583965.db2.gz GVZLFDTYTBFJRE-HDICACEKSA-N 2 1 367.453 0.924 10 30 FCEEMP N#Cc1cccc(NC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)c1 ZINC000927834229 1211583966 /nfs/dbraw/zinc/58/39/66/1211583966.db2.gz GVZLFDTYTBFJRE-HDICACEKSA-N 2 1 367.453 0.924 10 30 FCEEMP C=CC[C@@H]1CC[NH+]1CC(=O)N1CCN(C(=O)C[N@@H+]2CC[C@H]2CC=C)CC1 ZINC000934470828 1211862821 /nfs/dbraw/zinc/86/28/21/1211862821.db2.gz FWVFRJJDZUIAOW-QZTJIDSGSA-N 2 1 360.502 0.958 10 30 FCEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001515084596 1265421652 /nfs/dbraw/zinc/42/16/52/1265421652.db2.gz PBYSVPVGSFRZOX-MHORFTMASA-N 2 1 362.518 0.825 10 30 FCEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001515084596 1265421659 /nfs/dbraw/zinc/42/16/59/1265421659.db2.gz PBYSVPVGSFRZOX-MHORFTMASA-N 2 1 362.518 0.825 10 30 FCEEMP C=CCNC(=O)NC(=O)CN(C)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001329439648 1265757458 /nfs/dbraw/zinc/75/74/58/1265757458.db2.gz APVACVBLGRNWQL-QLFBSQMISA-N 2 1 367.494 0.165 10 30 FCEEMP C=CCNC(=O)NC(=O)C[NH+](C)[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001329439648 1265757466 /nfs/dbraw/zinc/75/74/66/1265757466.db2.gz APVACVBLGRNWQL-QLFBSQMISA-N 2 1 367.494 0.165 10 30 FCEEMP C=CCNC(=O)NC(=O)C[NH+](C)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001329439648 1265757470 /nfs/dbraw/zinc/75/74/70/1265757470.db2.gz APVACVBLGRNWQL-QLFBSQMISA-N 2 1 367.494 0.165 10 30 FCEEMP C=CCNC(=O)NC(=O)C[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001329439648 1265757476 /nfs/dbraw/zinc/75/74/76/1265757476.db2.gz APVACVBLGRNWQL-QLFBSQMISA-N 2 1 367.494 0.165 10 30 FCEEMP C=CCNC(=O)NC(=O)C[N@H+](C)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001329439648 1265757484 /nfs/dbraw/zinc/75/74/84/1265757484.db2.gz APVACVBLGRNWQL-QLFBSQMISA-N 2 1 367.494 0.165 10 30 FCEEMP C[C@@H]1[C@H](C(=O)NC[C@]2(O)CC[NH+](Cc3ccccc3C#N)C2)CC[N@@H+]1C ZINC001278781577 1260731544 /nfs/dbraw/zinc/73/15/44/1260731544.db2.gz KQVYKXYQMCBSJJ-XFQXTVEOSA-N 2 1 356.470 0.951 10 30 FCEEMP C[C@@H]1[C@H](C(=O)NC[C@]2(O)CC[NH+](Cc3ccccc3C#N)C2)CC[N@H+]1C ZINC001278781577 1260731545 /nfs/dbraw/zinc/73/15/45/1260731545.db2.gz KQVYKXYQMCBSJJ-XFQXTVEOSA-N 2 1 356.470 0.951 10 30 FCEEMP C[C@@H]1[C@H](C(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3C#N)C2)CC[NH+]1C ZINC001278781577 1260731549 /nfs/dbraw/zinc/73/15/49/1260731549.db2.gz KQVYKXYQMCBSJJ-XFQXTVEOSA-N 2 1 356.470 0.951 10 30 FCEEMP C[C@@H]1[C@H](C(=O)NC[C@]2(O)CC[N@@H+](Cc3ccccc3C#N)C2)CC[NH+]1C ZINC001278781577 1260731551 /nfs/dbraw/zinc/73/15/51/1260731551.db2.gz KQVYKXYQMCBSJJ-XFQXTVEOSA-N 2 1 356.470 0.951 10 30 FCEEMP C#CCNC(=O)C[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001483831490 1263448087 /nfs/dbraw/zinc/44/80/87/1263448087.db2.gz YOBYNMKKMKBNPD-MBOZVWFJSA-N 2 1 360.502 0.391 10 30 FCEEMP C#CCNC(=O)C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001483831490 1263448091 /nfs/dbraw/zinc/44/80/91/1263448091.db2.gz YOBYNMKKMKBNPD-MBOZVWFJSA-N 2 1 360.502 0.391 10 30 FCEEMP C#CCNC(=O)C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001483831490 1263448095 /nfs/dbraw/zinc/44/80/95/1263448095.db2.gz YOBYNMKKMKBNPD-MBOZVWFJSA-N 2 1 360.502 0.391 10 30 FCEEMP C=CCNC(=O)C[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001485475675 1263508114 /nfs/dbraw/zinc/50/81/14/1263508114.db2.gz CEQKHROKPLMNGJ-BRWVUGGUSA-N 2 1 350.507 0.990 10 30 FCEEMP C=CCNC(=O)C[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001485475675 1263508123 /nfs/dbraw/zinc/50/81/23/1263508123.db2.gz CEQKHROKPLMNGJ-BRWVUGGUSA-N 2 1 350.507 0.990 10 30 FCEEMP C=CCNC(=O)C[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001485475675 1263508131 /nfs/dbraw/zinc/50/81/31/1263508131.db2.gz CEQKHROKPLMNGJ-BRWVUGGUSA-N 2 1 350.507 0.990 10 30 FCEEMP C=CCNC(=O)C[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001485475675 1263508137 /nfs/dbraw/zinc/50/81/37/1263508137.db2.gz CEQKHROKPLMNGJ-BRWVUGGUSA-N 2 1 350.507 0.990 10 30 FCEEMP C=CCCC(=O)N1CC[NH+](CCCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001493129610 1263702829 /nfs/dbraw/zinc/70/28/29/1263702829.db2.gz KKDBCGZDZWSBBX-IAGOWNOFSA-N 2 1 350.507 0.943 10 30 FCEEMP C=CCCC(=O)N1CC[NH+](CCCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001493129610 1263702835 /nfs/dbraw/zinc/70/28/35/1263702835.db2.gz KKDBCGZDZWSBBX-IAGOWNOFSA-N 2 1 350.507 0.943 10 30 FCEEMP C=CCNC(=O)NC(=O)C[NH+](C)C[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001322160563 1264156636 /nfs/dbraw/zinc/15/66/36/1264156636.db2.gz MYHQGJPRFBEIIY-SOUVJXGZSA-N 2 1 367.494 0.165 10 30 FCEEMP C=CCNC(=O)NC(=O)C[NH+](C)C[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001322160563 1264156640 /nfs/dbraw/zinc/15/66/40/1264156640.db2.gz MYHQGJPRFBEIIY-SOUVJXGZSA-N 2 1 367.494 0.165 10 30 FCEEMP C=CCNC(=O)NC(=O)C[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001322160563 1264156644 /nfs/dbraw/zinc/15/66/44/1264156644.db2.gz MYHQGJPRFBEIIY-SOUVJXGZSA-N 2 1 367.494 0.165 10 30 FCEEMP C=CCNC(=O)NC(=O)C[N@H+](C)C[C@H](C)NC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001322160563 1264156645 /nfs/dbraw/zinc/15/66/45/1264156645.db2.gz MYHQGJPRFBEIIY-SOUVJXGZSA-N 2 1 367.494 0.165 10 30 FCEEMP C=CCO[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1 ZINC001322997831 1264310752 /nfs/dbraw/zinc/31/07/52/1264310752.db2.gz KUASHHZTINPCLX-NVXWUHKLSA-N 2 1 364.490 0.075 10 30 FCEEMP C#C[C@H]1CC[C@H](NC(=O)C(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)CC1 ZINC001333287701 1266571861 /nfs/dbraw/zinc/57/18/61/1266571861.db2.gz BNEIACAELMJWMM-QAQDUYKDSA-N 2 1 362.518 0.779 10 30 FCEEMP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@@H]2C1 ZINC001566044963 1269575808 /nfs/dbraw/zinc/57/58/08/1269575808.db2.gz RWXNRWLPOBJAIM-ZACQAIPSSA-N 2 1 362.518 0.942 10 30 FCEEMP C=CCNC(=O)C[NH2+]C1(CC)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001570254834 1269857000 /nfs/dbraw/zinc/85/70/00/1269857000.db2.gz FUBKGGWYDLKGDV-HZPDHXFCSA-N 2 1 350.507 0.990 10 30 FCEEMP CC#CC[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1c1cnn(C)c1 ZINC001707130826 1286465641 /nfs/dbraw/zinc/46/56/41/1286465641.db2.gz XXHSCCGNNYRSLD-ZWKOTPCHSA-N 2 1 359.474 0.050 10 30 FCEEMP COCC#CC[N@@H+](CCO)[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001707214995 1287044523 /nfs/dbraw/zinc/04/45/23/1287044523.db2.gz ZYICUGTYZKLWIT-FGTMMUONSA-N 2 1 351.491 0.262 10 30 FCEEMP COCC#CC[NH+](CCO)[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001707214995 1287044534 /nfs/dbraw/zinc/04/45/34/1287044534.db2.gz ZYICUGTYZKLWIT-FGTMMUONSA-N 2 1 351.491 0.262 10 30 FCEEMP COCC#CC[NH+](CCO)[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001707214995 1287044550 /nfs/dbraw/zinc/04/45/50/1287044550.db2.gz ZYICUGTYZKLWIT-FGTMMUONSA-N 2 1 351.491 0.262 10 30 FCEEMP CC[N@H+](CCNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1)CC(=O)NCC#N ZINC001731811822 1288568108 /nfs/dbraw/zinc/56/81/08/1288568108.db2.gz WIYHDGSQYHGASN-MSOLQXFVSA-N 2 1 371.485 0.410 10 30 FCEEMP CC[N@@H+](CCNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1)CC(=O)NCC#N ZINC001731811822 1288568109 /nfs/dbraw/zinc/56/81/09/1288568109.db2.gz WIYHDGSQYHGASN-MSOLQXFVSA-N 2 1 371.485 0.410 10 30 FCEEMP CC[NH+](CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)CC(=O)NCC#N ZINC001731811822 1288568111 /nfs/dbraw/zinc/56/81/11/1288568111.db2.gz WIYHDGSQYHGASN-MSOLQXFVSA-N 2 1 371.485 0.410 10 30 FCEEMP CC[NH+](CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)CC(=O)NCC#N ZINC001731811822 1288568112 /nfs/dbraw/zinc/56/81/12/1288568112.db2.gz WIYHDGSQYHGASN-MSOLQXFVSA-N 2 1 371.485 0.410 10 30 FCEEMP C#CCNC(=O)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001733686006 1288624988 /nfs/dbraw/zinc/62/49/88/1288624988.db2.gz HGEQQJWJCVBECP-XLAORIBOSA-N 2 1 362.518 0.731 10 30 FCEEMP C#CCNC(=O)[C@H](C)[NH2+]CC1(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCCC1 ZINC001734088271 1288642075 /nfs/dbraw/zinc/64/20/75/1288642075.db2.gz NZPPLFPSWVMNTD-GVDBMIGSSA-N 2 1 362.518 0.873 10 30 FCEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CCC[NH+](C)C ZINC001736490765 1289390314 /nfs/dbraw/zinc/39/03/14/1289390314.db2.gz CXAPXYUTOJYUEU-OWSLCNJRSA-N 2 1 360.502 0.674 10 30 FCEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CCC[NH+](C)C ZINC001736490765 1289390322 /nfs/dbraw/zinc/39/03/22/1289390322.db2.gz CXAPXYUTOJYUEU-OWSLCNJRSA-N 2 1 360.502 0.674 10 30 FCEEMP C[C@@H]1[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc2cc(F)ccc2C#N)CC[N@@H+]1C ZINC001700938205 1289617350 /nfs/dbraw/zinc/61/73/50/1289617350.db2.gz QRRXBIIYCSRUEG-JEBQAFNWSA-N 2 1 362.449 0.946 10 30 FCEEMP C[C@@H]1[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc2cc(F)ccc2C#N)CC[N@H+]1C ZINC001700938205 1289617358 /nfs/dbraw/zinc/61/73/58/1289617358.db2.gz QRRXBIIYCSRUEG-JEBQAFNWSA-N 2 1 362.449 0.946 10 30 FCEEMP C#CCNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001656333736 1291510325 /nfs/dbraw/zinc/51/03/25/1291510325.db2.gz DJQULBMKXYXDNL-RCCFBDPRSA-N 2 1 362.518 0.732 10 30 FCEEMP C[C@@H]1[C@H](C(=O)N(CCO)CC[NH2+]CC#Cc2ccc(F)cc2)CC[N@H+]1C ZINC001672621672 1292087366 /nfs/dbraw/zinc/08/73/66/1292087366.db2.gz UKPNUDPKAMUGHR-VQIMIIECSA-N 2 1 361.461 0.928 10 30 FCEEMP C=CCCC(=O)NCCC[NH+]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001283818828 864523225 /nfs/dbraw/zinc/52/32/25/864523225.db2.gz NVLJDWZPMLUZBK-IAGOWNOFSA-N 2 1 350.507 0.943 10 30 FCEEMP C=CCCC(=O)NCCC[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001283818828 864523234 /nfs/dbraw/zinc/52/32/34/864523234.db2.gz NVLJDWZPMLUZBK-IAGOWNOFSA-N 2 1 350.507 0.943 10 30 FCEEMP C#CCNC(=O)C[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001329290224 871936441 /nfs/dbraw/zinc/93/64/41/871936441.db2.gz JNMOVTLOTJHELO-JKSUJKDBSA-N 2 1 350.507 0.540 10 30 FCEEMP C[N@@H+]1CCC[C@@H](N2CC[NH+](C[C@@H](O)CC3(C#N)CCOCC3)CC2)C1 ZINC001331571967 873150037 /nfs/dbraw/zinc/15/00/37/873150037.db2.gz NRRUCFWSJDTKCU-MSOLQXFVSA-N 2 1 350.507 0.770 10 30 FCEEMP C[N@H+]1CCC[C@@H](N2CC[NH+](C[C@@H](O)CC3(C#N)CCOCC3)CC2)C1 ZINC001331571967 873150039 /nfs/dbraw/zinc/15/00/39/873150039.db2.gz NRRUCFWSJDTKCU-MSOLQXFVSA-N 2 1 350.507 0.770 10 30 FCEEMP C=CCn1c([C@@H]2C[NH+]3CCC[C@@H]3CO2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC000669034493 493455943 /nfs/dbraw/zinc/45/59/43/493455943.db2.gz PLSMNNWOGOJFOO-ZACQAIPSSA-N 2 1 374.489 0.521 10 30 FCEEMP C=CCn1c([C@@H]2C[NH+]3CCC[C@@H]3CO2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC000669034493 493455945 /nfs/dbraw/zinc/45/59/45/493455945.db2.gz PLSMNNWOGOJFOO-ZACQAIPSSA-N 2 1 374.489 0.521 10 30 FCEEMP C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CC[NH+]2CCOC[C@H]2C1 ZINC000669034493 493455947 /nfs/dbraw/zinc/45/59/47/493455947.db2.gz PLSMNNWOGOJFOO-ZACQAIPSSA-N 2 1 374.489 0.521 10 30 FCEEMP C=CCn1c([C@@H]2C[N@H+]3CCC[C@@H]3CO2)nnc1N1CC[NH+]2CCOC[C@H]2C1 ZINC000669034493 493455950 /nfs/dbraw/zinc/45/59/50/493455950.db2.gz PLSMNNWOGOJFOO-ZACQAIPSSA-N 2 1 374.489 0.521 10 30 FCEEMP C[NH+]=C(NCC1([NH+]2CCCCC2)CCN(C)CC1)N[C@H]1CCC(=O)NC1 ZINC000262824440 526351503 /nfs/dbraw/zinc/35/15/03/526351503.db2.gz ZITTUWALPSEBND-INIZCTEOSA-N 2 1 364.538 0.380 10 30 FCEEMP C[NH+]=C(NC[C@]1([NH+](C)C)CCSC1)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000261841926 526378962 /nfs/dbraw/zinc/37/89/62/526378962.db2.gz WTLDVPUNPYYFBB-IAGOWNOFSA-N 2 1 353.536 0.601 10 30 FCEEMP CC[NH+]=C(NC[C@@H]1CCN(S(C)(=O)=O)C1)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000261661349 528810935 /nfs/dbraw/zinc/81/09/35/528810935.db2.gz AUNRXCNDUUXNCO-OWCLPIDISA-N 2 1 373.567 0.552 10 30 FCEEMP C[C@H]1CCCC[N@H+]1CC(N)=NOCC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000151533465 666620347 /nfs/dbraw/zinc/62/03/47/666620347.db2.gz FVJGOERGTQPKCC-AWEZNQCLSA-N 2 1 351.495 0.893 10 30 FCEEMP CCN(CCC#N)C(=O)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001481093573 1182281859 /nfs/dbraw/zinc/28/18/59/1182281859.db2.gz FLHWKHDKKXHPSV-BRWVUGGUSA-N 2 1 363.506 0.527 10 30 FCEEMP CCN(CCC#N)C(=O)C[NH+]1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001481093573 1182281863 /nfs/dbraw/zinc/28/18/63/1182281863.db2.gz FLHWKHDKKXHPSV-BRWVUGGUSA-N 2 1 363.506 0.527 10 30 FCEEMP CCN(CCC#N)C(=O)C[NH+]1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001481093573 1182281870 /nfs/dbraw/zinc/28/18/70/1182281870.db2.gz FLHWKHDKKXHPSV-BRWVUGGUSA-N 2 1 363.506 0.527 10 30 FCEEMP C=CCNC(=O)C[NH2+]C1(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001670860155 1193829300 /nfs/dbraw/zinc/82/93/00/1193829300.db2.gz WUSDFAOWPSTZEK-MSOLQXFVSA-N 2 1 370.497 0.872 10 30 FCEEMP CN1CC[N@@H+](C)CC(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1 ZINC000906243764 1195618156 /nfs/dbraw/zinc/61/81/56/1195618156.db2.gz ASVWHKJAOPNODB-UHFFFAOYSA-N 2 1 357.502 0.942 10 30 FCEEMP C=CCNC(=O)[C@H](C)[NH+]1CC[C@@H]2CN(C(=O)CC[N@H+](C)CC)C[C@@H]2C1 ZINC001489204818 1208667810 /nfs/dbraw/zinc/66/78/10/1208667810.db2.gz CWBLLCFDLFDMNP-BBWFWOEESA-N 2 1 350.507 0.799 10 30 FCEEMP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)CC)C[C@@H]2C1 ZINC001489204818 1208667815 /nfs/dbraw/zinc/66/78/15/1208667815.db2.gz CWBLLCFDLFDMNP-BBWFWOEESA-N 2 1 350.507 0.799 10 30 FCEEMP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)CC)C[C@@H]2C1 ZINC001489204818 1208667819 /nfs/dbraw/zinc/66/78/19/1208667819.db2.gz CWBLLCFDLFDMNP-BBWFWOEESA-N 2 1 350.507 0.799 10 30 FCEEMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)C#CC3CC[NH2+]CC3)CC2)CC1 ZINC000852867304 1209569377 /nfs/dbraw/zinc/56/93/77/1209569377.db2.gz TVNFPYOBMBFXCE-UHFFFAOYSA-N 2 1 374.529 0.782 10 30 FCEEMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C#CC1CC[NH2+]CC1 ZINC000852868289 1209569620 /nfs/dbraw/zinc/56/96/20/1209569620.db2.gz CSMQLCURMFQCBR-KRWDZBQOSA-N 2 1 355.486 0.711 10 30 FCEEMP C#CCN(C(=O)C(=O)NC[C@@H](c1ccco1)[NH+](C)C)C1CC[NH+](C)CC1 ZINC000929157254 1211619802 /nfs/dbraw/zinc/61/98/02/1211619802.db2.gz SURHFVZSSIFQEH-INIZCTEOSA-N 2 1 360.458 0.555 10 30 FCEEMP Cc1c(C[C@@H](C[NH3+])C[NH+]2CCN(c3ccc(C#N)nc3)CC2)cnn1C ZINC000903937238 1218569492 /nfs/dbraw/zinc/56/94/92/1218569492.db2.gz FZSFHJCMNWZBGV-INIZCTEOSA-N 2 1 353.474 0.935 10 30 FCEEMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]CC(=O)NCC#Cc1ccccc1 ZINC001491456251 1220139562 /nfs/dbraw/zinc/13/95/62/1220139562.db2.gz FLPCPPCWZUPUAF-YQVWRLOYSA-N 2 1 370.497 0.589 10 30 FCEEMP C#CC[NH+](C)CCCNC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000836487819 1222625564 /nfs/dbraw/zinc/62/55/64/1222625564.db2.gz BIPBRJYMHFZTBJ-DFNIBXOVSA-N 2 1 361.534 0.894 10 30 FCEEMP C#CC[NH+](C)CCCNC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000836487819 1222625572 /nfs/dbraw/zinc/62/55/72/1222625572.db2.gz BIPBRJYMHFZTBJ-DFNIBXOVSA-N 2 1 361.534 0.894 10 30 FCEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001515084615 1265421520 /nfs/dbraw/zinc/42/15/20/1265421520.db2.gz QCOSBTDPGMGDFZ-KSZLIROESA-N 2 1 362.518 0.827 10 30 FCEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001515084615 1265421525 /nfs/dbraw/zinc/42/15/25/1265421525.db2.gz QCOSBTDPGMGDFZ-KSZLIROESA-N 2 1 362.518 0.827 10 30 FCEEMP C#CC[N@H+](CC[C@@H]1CCNC1=O)C1CC[NH+](CC[C@@H]2CCNC2=O)CC1 ZINC001331158885 1266160614 /nfs/dbraw/zinc/16/06/14/1266160614.db2.gz USCJOTXMMNLOEP-IRXDYDNUSA-N 2 1 360.502 0.438 10 30 FCEEMP N#C[C@H]1CCCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)C1 ZINC001332000746 1266314665 /nfs/dbraw/zinc/31/46/65/1266314665.db2.gz MHFXMKJJMRYPHB-OIISXLGYSA-N 2 1 359.474 0.176 10 30 FCEEMP N#C[C@H]1CCCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)C1 ZINC001332000746 1266314674 /nfs/dbraw/zinc/31/46/74/1266314674.db2.gz MHFXMKJJMRYPHB-OIISXLGYSA-N 2 1 359.474 0.176 10 30 FCEEMP C#CCNC(=O)C[NH+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001264182678 1260370118 /nfs/dbraw/zinc/37/01/18/1260370118.db2.gz UDOORFPKJVAAGM-OKZBNKHCSA-N 2 1 362.518 0.779 10 30 FCEEMP C#CCNC(=O)C[NH+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001264182678 1260370122 /nfs/dbraw/zinc/37/01/22/1260370122.db2.gz UDOORFPKJVAAGM-OKZBNKHCSA-N 2 1 362.518 0.779 10 30 FCEEMP C#CCNC(=O)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001264182678 1260370129 /nfs/dbraw/zinc/37/01/29/1260370129.db2.gz UDOORFPKJVAAGM-OKZBNKHCSA-N 2 1 362.518 0.779 10 30 FCEEMP C#CCNC(=O)C[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001264182678 1260370133 /nfs/dbraw/zinc/37/01/33/1260370133.db2.gz UDOORFPKJVAAGM-OKZBNKHCSA-N 2 1 362.518 0.779 10 30 FCEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+](C)C(C)C)C2 ZINC001292127313 1262649996 /nfs/dbraw/zinc/64/99/96/1262649996.db2.gz AFBVVBGPRWMCDM-BDXSIMOUSA-N 2 1 360.502 0.672 10 30 FCEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+](C)C(C)C)C2 ZINC001292127313 1262650003 /nfs/dbraw/zinc/65/00/03/1262650003.db2.gz AFBVVBGPRWMCDM-BDXSIMOUSA-N 2 1 360.502 0.672 10 30 FCEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)C(C)C)C2 ZINC001292127313 1262650010 /nfs/dbraw/zinc/65/00/10/1262650010.db2.gz AFBVVBGPRWMCDM-BDXSIMOUSA-N 2 1 360.502 0.672 10 30 FCEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)C(C)C)C2 ZINC001292127313 1262650015 /nfs/dbraw/zinc/65/00/15/1262650015.db2.gz AFBVVBGPRWMCDM-BDXSIMOUSA-N 2 1 360.502 0.672 10 30 FCEEMP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1 ZINC001479672775 1263335387 /nfs/dbraw/zinc/33/53/87/1263335387.db2.gz OMTOLKSYMHXESL-ZACQAIPSSA-N 2 1 360.502 0.553 10 30 FCEEMP CCN(CCC#N)C(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001316658003 1263403348 /nfs/dbraw/zinc/40/33/48/1263403348.db2.gz GLTIQAXVBPZUOD-GVDBMIGSSA-N 2 1 363.506 0.717 10 30 FCEEMP C#CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC[NH+](CC(=O)N2CCC2)CC1 ZINC001483984506 1263452428 /nfs/dbraw/zinc/45/24/28/1263452428.db2.gz OOZGUXRTZDDMRB-SJLPKXTDSA-N 2 1 360.502 0.485 10 30 FCEEMP C#CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC[NH+](CC(=O)N2CCC2)CC1 ZINC001483984506 1263452432 /nfs/dbraw/zinc/45/24/32/1263452432.db2.gz OOZGUXRTZDDMRB-SJLPKXTDSA-N 2 1 360.502 0.485 10 30 FCEEMP C[N@@H+](CCCNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1)CC(=O)NCC#N ZINC001316849737 1263494206 /nfs/dbraw/zinc/49/42/06/1263494206.db2.gz OHLQSXVXWJCGLW-MSOLQXFVSA-N 2 1 371.485 0.410 10 30 FCEEMP C[NH+](CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)CC(=O)NCC#N ZINC001316849737 1263494210 /nfs/dbraw/zinc/49/42/10/1263494210.db2.gz OHLQSXVXWJCGLW-MSOLQXFVSA-N 2 1 371.485 0.410 10 30 FCEEMP C[NH+](CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)CC(=O)NCC#N ZINC001316849737 1263494215 /nfs/dbraw/zinc/49/42/15/1263494215.db2.gz OHLQSXVXWJCGLW-MSOLQXFVSA-N 2 1 371.485 0.410 10 30 FCEEMP C[N@H+]1C[C@H](C(=O)NC/C=C/C[NH2+]CC(=O)NCC#N)[C@@H](c2ccccc2)C1 ZINC001321265118 1263928345 /nfs/dbraw/zinc/92/83/45/1263928345.db2.gz QEYAQCFXEAAHBS-VGRIIWOTSA-N 2 1 369.469 0.234 10 30 FCEEMP CC[C@@H]1[C@@H](C(=O)NC[C@]2(C)CCC[NH+](CC(=O)NCC#N)C2)CC[N@@H+]1C ZINC001500499276 1264069740 /nfs/dbraw/zinc/06/97/40/1264069740.db2.gz UMRQHWHAXPDPJG-FCEWJHQRSA-N 2 1 363.506 0.575 10 30 FCEEMP CC[C@@H]1[C@@H](C(=O)NC[C@]2(C)CCC[NH+](CC(=O)NCC#N)C2)CC[N@H+]1C ZINC001500499276 1264069749 /nfs/dbraw/zinc/06/97/49/1264069749.db2.gz UMRQHWHAXPDPJG-FCEWJHQRSA-N 2 1 363.506 0.575 10 30 FCEEMP CC[C@@H]1[C@@H](C(=O)NC[C@]2(C)CCC[N@H+](CC(=O)NCC#N)C2)CC[NH+]1C ZINC001500499276 1264069753 /nfs/dbraw/zinc/06/97/53/1264069753.db2.gz UMRQHWHAXPDPJG-FCEWJHQRSA-N 2 1 363.506 0.575 10 30 FCEEMP CC[C@@H]1[C@@H](C(=O)NC[C@]2(C)CCC[N@@H+](CC(=O)NCC#N)C2)CC[NH+]1C ZINC001500499276 1264069762 /nfs/dbraw/zinc/06/97/62/1264069762.db2.gz UMRQHWHAXPDPJG-FCEWJHQRSA-N 2 1 363.506 0.575 10 30 FCEEMP C#CCNC(=O)[C@H](C)[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001501736659 1264143260 /nfs/dbraw/zinc/14/32/60/1264143260.db2.gz AJWHTZFHKHLQMH-IXDOHACOSA-N 2 1 360.502 0.389 10 30 FCEEMP C[NH+](C)CC#CCNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC001565496507 1269477580 /nfs/dbraw/zinc/47/75/80/1269477580.db2.gz KJPYNYHYXBIQKO-RTBURBONSA-N 2 1 358.486 0.734 10 30 FCEEMP CC[C@@H]1[C@@H](NC(=O)CCC[NH+]2CCCCC2)CC[N@@H+]1CC(=O)NCC#N ZINC001566027777 1269564228 /nfs/dbraw/zinc/56/42/28/1269564228.db2.gz YSMLMAZGPAJWEJ-DLBZAZTESA-N 2 1 363.506 0.861 10 30 FCEEMP CC[C@@H]1[C@@H](NC(=O)CCC[NH+]2CCCCC2)CC[N@H+]1CC(=O)NCC#N ZINC001566027777 1269564236 /nfs/dbraw/zinc/56/42/36/1269564236.db2.gz YSMLMAZGPAJWEJ-DLBZAZTESA-N 2 1 363.506 0.861 10 30 FCEEMP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@@H]2C1 ZINC001566044962 1269576873 /nfs/dbraw/zinc/57/68/73/1269576873.db2.gz RWXNRWLPOBJAIM-BBWFWOEESA-N 2 1 362.518 0.942 10 30 FCEEMP C[C@H]([NH2+]CC(=O)NCC#N)c1ccc(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1 ZINC001570030899 1269831100 /nfs/dbraw/zinc/83/11/00/1269831100.db2.gz DNUNCTPMNZIRQR-HDMKZQKVSA-N 2 1 371.485 0.933 10 30 FCEEMP C#CCNC(=O)C[N@H+]1CC[C@@H](N(CCC)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001713716696 1287293077 /nfs/dbraw/zinc/29/30/77/1287293077.db2.gz VAVCNJBSFKLYRY-FGTMMUONSA-N 2 1 362.518 0.779 10 30 FCEEMP C#CCNC(=O)C[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001713716696 1287293080 /nfs/dbraw/zinc/29/30/80/1287293080.db2.gz VAVCNJBSFKLYRY-FGTMMUONSA-N 2 1 362.518 0.779 10 30 FCEEMP C#CCNC(=O)C[NH+]1CC[C@@H](N(CCC)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001713716696 1287293081 /nfs/dbraw/zinc/29/30/81/1287293081.db2.gz VAVCNJBSFKLYRY-FGTMMUONSA-N 2 1 362.518 0.779 10 30 FCEEMP C#CCNC(=O)C[NH+]1CC[C@@H](N(CCC)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001713716696 1287293083 /nfs/dbraw/zinc/29/30/83/1287293083.db2.gz VAVCNJBSFKLYRY-FGTMMUONSA-N 2 1 362.518 0.779 10 30 FCEEMP C[N@H+]1C[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)NCC#N)C2)[C@@H](c2ccccc2)C1 ZINC001713961371 1287308545 /nfs/dbraw/zinc/30/85/45/1287308545.db2.gz XLIXGQQRYRGQKT-TVFCKZIOSA-N 2 1 369.469 0.208 10 30 FCEEMP CCN(CCC#N)C(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001717640957 1287431565 /nfs/dbraw/zinc/43/15/65/1287431565.db2.gz QAALWFJLUOYURC-QBPKDAKJSA-N 2 1 363.506 0.573 10 30 FCEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[C@H](CNC(=O)CC[N@@H+](C)CC)C1 ZINC001684569902 1284203528 /nfs/dbraw/zinc/20/35/28/1284203528.db2.gz ZBTHYHHTLIBMHP-KSZLIROESA-N 2 1 362.518 0.827 10 30 FCEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[C@H](CNC(=O)CC[N@H+](C)CC)C1 ZINC001684569902 1284203534 /nfs/dbraw/zinc/20/35/34/1284203534.db2.gz ZBTHYHHTLIBMHP-KSZLIROESA-N 2 1 362.518 0.827 10 30 FCEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[C@H](CNC(=O)CC[NH+](C)CC)C1 ZINC001684569902 1284203546 /nfs/dbraw/zinc/20/35/46/1284203546.db2.gz ZBTHYHHTLIBMHP-KSZLIROESA-N 2 1 362.518 0.827 10 30 FCEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[C@H](CNC(=O)CC[NH+](C)CC)C1 ZINC001684569902 1284203550 /nfs/dbraw/zinc/20/35/50/1284203550.db2.gz ZBTHYHHTLIBMHP-KSZLIROESA-N 2 1 362.518 0.827 10 30 FCEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](C)C1 ZINC001702815771 1285907919 /nfs/dbraw/zinc/90/79/19/1285907919.db2.gz ZAGSLAXRKUNCTE-KURKYZTESA-N 2 1 362.518 0.637 10 30 FCEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](C)C1 ZINC001702815771 1285907922 /nfs/dbraw/zinc/90/79/22/1285907922.db2.gz ZAGSLAXRKUNCTE-KURKYZTESA-N 2 1 362.518 0.637 10 30 FCEEMP C#CCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3CC)C[C@@H]2C1 ZINC001707225081 1287071957 /nfs/dbraw/zinc/07/19/57/1287071957.db2.gz CYSHDKSIBRGJIG-FGTMMUONSA-N 2 1 360.502 0.391 10 30 FCEEMP C#CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3CC)C[C@@H]2C1 ZINC001707225081 1287071962 /nfs/dbraw/zinc/07/19/62/1287071962.db2.gz CYSHDKSIBRGJIG-FGTMMUONSA-N 2 1 360.502 0.391 10 30 FCEEMP C#CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3CC)C[C@@H]2C1 ZINC001707225081 1287071975 /nfs/dbraw/zinc/07/19/75/1287071975.db2.gz CYSHDKSIBRGJIG-FGTMMUONSA-N 2 1 360.502 0.391 10 30 FCEEMP C=CCNC(=O)C[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)C1 ZINC001723718734 1288427563 /nfs/dbraw/zinc/42/75/63/1288427563.db2.gz LQJQTKPZBWJCIO-SQGPQFPESA-N 2 1 362.518 0.943 10 30 FCEEMP C=CCNC(=O)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC001723718734 1288427568 /nfs/dbraw/zinc/42/75/68/1288427568.db2.gz LQJQTKPZBWJCIO-SQGPQFPESA-N 2 1 362.518 0.943 10 30 FCEEMP C=CCNC(=O)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC001723718734 1288427571 /nfs/dbraw/zinc/42/75/71/1288427571.db2.gz LQJQTKPZBWJCIO-SQGPQFPESA-N 2 1 362.518 0.943 10 30 FCEEMP C[C@@H]1[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc2ccc(OCC#N)cc2)CC[N@H+]1C ZINC001700791903 1289607567 /nfs/dbraw/zinc/60/75/67/1289607567.db2.gz MOKFHBBEILRELA-UWWQBHOKSA-N 2 1 360.458 0.496 10 30 FCEEMP C=CCNC(=O)C[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001656889966 1291571322 /nfs/dbraw/zinc/57/13/22/1291571322.db2.gz SIMXUOHXPOSDHJ-BRWVUGGUSA-N 2 1 350.507 0.990 10 30 FCEEMP C=CCNC(=O)C[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001271535537 859965512 /nfs/dbraw/zinc/96/55/12/859965512.db2.gz ZKEBDSUSLKFYOT-IXDOHACOSA-N 2 1 350.507 0.990 10 30 FCEEMP C=CCNC(=O)NC(=O)[C@H](C)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182581187 488388675 /nfs/dbraw/zinc/38/86/75/488388675.db2.gz WTGKPHLWAIZWKF-PMRDEQMMSA-N 2 1 363.506 0.630 10 30 FCEEMP C(#CC[N@@H+]1CC[C@H](Cn2ccnn2)C1)C[NH+]1CC[C@H](Cn2ccnn2)C1 ZINC000661139339 493411204 /nfs/dbraw/zinc/41/12/04/493411204.db2.gz HRHBPGYEABKALE-ROUUACIJSA-N 2 1 354.462 0.217 10 30 FCEEMP C[NH+]=C(NC[C@](C)(O)C[NH+]1CCOCC1)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000261684701 526378073 /nfs/dbraw/zinc/37/80/73/526378073.db2.gz RCNVAAHFLOLVCI-DFGXFYAUSA-N 2 1 366.506 0.192 10 30 FCEEMP C[C@@H]1[C@H](C(=O)N(CCO)CC[NH2+]Cc2cc(F)ccc2C#N)CC[N@@H+]1C ZINC001272169323 1192682620 /nfs/dbraw/zinc/68/26/20/1192682620.db2.gz SKKGTSQZZCNLEW-RDTXWAMCSA-N 2 1 362.449 0.948 10 30 FCEEMP C[C@@H]1[C@H](C(=O)N(CCO)CC[NH2+]Cc2cc(F)ccc2C#N)CC[N@H+]1C ZINC001272169323 1192682624 /nfs/dbraw/zinc/68/26/24/1192682624.db2.gz SKKGTSQZZCNLEW-RDTXWAMCSA-N 2 1 362.449 0.948 10 30 FCEEMP C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000850820515 1209490905 /nfs/dbraw/zinc/49/09/05/1209490905.db2.gz NWPJRVFJKCGDPM-QGZVFWFLSA-N 2 1 358.442 0.357 10 30 FCEEMP O=C(C#CC1CC[NH2+]CC1)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000852873487 1209571231 /nfs/dbraw/zinc/57/12/31/1209571231.db2.gz WKBORPVKPRHEQM-UHFFFAOYSA-N 2 1 355.486 0.713 10 30 FCEEMP O=C(C#CC1CC[NH2+]CC1)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000852873092 1209571534 /nfs/dbraw/zinc/57/15/34/1209571534.db2.gz OZLRSJBMINJEJK-UHFFFAOYSA-N 2 1 356.474 0.108 10 30 FCEEMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C[N@H+](C)C(C)C)CC1 ZINC001490816633 1211251304 /nfs/dbraw/zinc/25/13/04/1211251304.db2.gz GZTLOXOLFUDRRC-QRVBRYPASA-N 2 1 374.529 0.920 10 30 FCEEMP C#CCN(C(=O)C(=O)NC[C@H](c1ccco1)[NH+](C)C)C1CC[NH+](C)CC1 ZINC000929157255 1211619494 /nfs/dbraw/zinc/61/94/94/1211619494.db2.gz SURHFVZSSIFQEH-MRXNPFEDSA-N 2 1 360.458 0.555 10 30 FCEEMP C#CCN(C(=O)C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1)C1CC[NH+](C)CC1 ZINC000929791117 1211661070 /nfs/dbraw/zinc/66/10/70/1211661070.db2.gz CECYZFGBYUVTEV-KRWDZBQOSA-N 2 1 362.518 0.779 10 30 FCEEMP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)CC1 ZINC000930006198 1211681691 /nfs/dbraw/zinc/68/16/91/1211681691.db2.gz CRHAUDIZSPOLTP-KRWDZBQOSA-N 2 1 364.490 0.123 10 30 FCEEMP CC(C)[N@@H+]1CCO[C@H](C(=[NH2+])NOCC(=O)NCc2ccc(C#N)cc2)C1 ZINC000779651793 1212805954 /nfs/dbraw/zinc/80/59/54/1212805954.db2.gz FMWADQYVNVPAEQ-INIZCTEOSA-N 2 1 359.430 0.782 10 30 FCEEMP CC(C)[N@H+]1CCO[C@H](C(=[NH2+])NOCC(=O)NCc2ccc(C#N)cc2)C1 ZINC000779651793 1212805957 /nfs/dbraw/zinc/80/59/57/1212805957.db2.gz FMWADQYVNVPAEQ-INIZCTEOSA-N 2 1 359.430 0.782 10 30 FCEEMP C=C1[C@H](C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)[C@@H]1C(=O)N[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000900830840 1218044613 /nfs/dbraw/zinc/04/46/13/1218044613.db2.gz OKNRWNBDKPCXFE-GMYDAAELSA-N 2 1 362.518 0.986 10 30 FCEEMP C=C1[C@H](C(=O)N[C@@H]2CC[NH+](C)[C@H](C)C2)[C@@H]1C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000900830840 1218044618 /nfs/dbraw/zinc/04/46/18/1218044618.db2.gz OKNRWNBDKPCXFE-GMYDAAELSA-N 2 1 362.518 0.986 10 30 FCEEMP C=C1[C@H](C(=O)N[C@@H]2CC[NH+](C)[C@H](C)C2)[C@@H]1C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000900830840 1218044623 /nfs/dbraw/zinc/04/46/23/1218044623.db2.gz OKNRWNBDKPCXFE-GMYDAAELSA-N 2 1 362.518 0.986 10 30 FCEEMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]CC(=O)NCC#Cc1ccccc1 ZINC001491456252 1220139441 /nfs/dbraw/zinc/13/94/41/1220139441.db2.gz FLPCPPCWZUPUAF-ZHALLVOQSA-N 2 1 370.497 0.589 10 30 FCEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001515084597 1265422123 /nfs/dbraw/zinc/42/21/23/1265422123.db2.gz PBYSVPVGSFRZOX-MLHJIOFPSA-N 2 1 362.518 0.825 10 30 FCEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001515084597 1265422127 /nfs/dbraw/zinc/42/21/27/1265422127.db2.gz PBYSVPVGSFRZOX-MLHJIOFPSA-N 2 1 362.518 0.825 10 30 FCEEMP C=CCNC(=O)NC(=O)CN(C)[C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001329439649 1265757686 /nfs/dbraw/zinc/75/76/86/1265757686.db2.gz APVACVBLGRNWQL-SOUVJXGZSA-N 2 1 367.494 0.165 10 30 FCEEMP C=CCNC(=O)NC(=O)C[NH+](C)[C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001329439649 1265757692 /nfs/dbraw/zinc/75/76/92/1265757692.db2.gz APVACVBLGRNWQL-SOUVJXGZSA-N 2 1 367.494 0.165 10 30 FCEEMP C=CCNC(=O)NC(=O)C[NH+](C)[C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001329439649 1265757700 /nfs/dbraw/zinc/75/77/00/1265757700.db2.gz APVACVBLGRNWQL-SOUVJXGZSA-N 2 1 367.494 0.165 10 30 FCEEMP C=CCNC(=O)NC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001329439649 1265757708 /nfs/dbraw/zinc/75/77/08/1265757708.db2.gz APVACVBLGRNWQL-SOUVJXGZSA-N 2 1 367.494 0.165 10 30 FCEEMP C=CCNC(=O)NC(=O)C[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001329439649 1265757715 /nfs/dbraw/zinc/75/77/15/1265757715.db2.gz APVACVBLGRNWQL-SOUVJXGZSA-N 2 1 367.494 0.165 10 30 FCEEMP C=CCC[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1c1cnn(C)c1 ZINC001263944120 1260357896 /nfs/dbraw/zinc/35/78/96/1260357896.db2.gz QZWFECFFTWEPME-ZWKOTPCHSA-N 2 1 361.490 0.603 10 30 FCEEMP COCC#CC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1c1cnn(C)c1 ZINC001264503372 1260375554 /nfs/dbraw/zinc/37/55/54/1260375554.db2.gz GWUGAAURRJZIMU-ZWKOTPCHSA-N 2 1 361.490 0.294 10 30 FCEEMP CCN(CCC#N)C(=O)CN1CC([C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001282714410 1261594677 /nfs/dbraw/zinc/59/46/77/1261594677.db2.gz IACPSUWKJSZPBA-BFYDXBDKSA-N 2 1 363.506 0.525 10 30 FCEEMP CCN(CCC#N)C(=O)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001282714410 1261594680 /nfs/dbraw/zinc/59/46/80/1261594680.db2.gz IACPSUWKJSZPBA-BFYDXBDKSA-N 2 1 363.506 0.525 10 30 FCEEMP CCN(CCC#N)C(=O)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001282714410 1261594686 /nfs/dbraw/zinc/59/46/86/1261594686.db2.gz IACPSUWKJSZPBA-BFYDXBDKSA-N 2 1 363.506 0.525 10 30 FCEEMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCC[NH+](CC(=O)NCC#N)C3)CC[N@@H+]1C ZINC001282964033 1261663083 /nfs/dbraw/zinc/66/30/83/1261663083.db2.gz BMCACPLWJVXDDW-JKSUJKDBSA-N 2 1 361.490 0.281 10 30 FCEEMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCC[NH+](CC(=O)NCC#N)C3)CC[N@H+]1C ZINC001282964033 1261663094 /nfs/dbraw/zinc/66/30/94/1261663094.db2.gz BMCACPLWJVXDDW-JKSUJKDBSA-N 2 1 361.490 0.281 10 30 FCEEMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCC[N@H+](CC(=O)NCC#N)C3)CC[NH+]1C ZINC001282964033 1261663107 /nfs/dbraw/zinc/66/31/07/1261663107.db2.gz BMCACPLWJVXDDW-JKSUJKDBSA-N 2 1 361.490 0.281 10 30 FCEEMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCC[N@@H+](CC(=O)NCC#N)C3)CC[NH+]1C ZINC001282964033 1261663117 /nfs/dbraw/zinc/66/31/17/1261663117.db2.gz BMCACPLWJVXDDW-JKSUJKDBSA-N 2 1 361.490 0.281 10 30 FCEEMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)C[N@H+](C)C(C)C)[C@@H]2C)CC1 ZINC001345416199 1261700807 /nfs/dbraw/zinc/70/08/07/1261700807.db2.gz OJQXPUVIRJIPBQ-AEFFLSMTSA-N 2 1 362.518 0.777 10 30 FCEEMP C[N@@H+]1CCC[C@@H]1CCC(=O)N1C[C@@H]2C[NH+](CC(=O)NCC#N)CC[C@@H]2C1 ZINC001479666931 1263319163 /nfs/dbraw/zinc/31/91/63/1263319163.db2.gz IPCQHUQULBARCV-IXDOHACOSA-N 2 1 361.490 0.281 10 30 FCEEMP C[N@H+]1CCC[C@@H]1CCC(=O)N1C[C@@H]2C[NH+](CC(=O)NCC#N)CC[C@@H]2C1 ZINC001479666931 1263319168 /nfs/dbraw/zinc/31/91/68/1263319168.db2.gz IPCQHUQULBARCV-IXDOHACOSA-N 2 1 361.490 0.281 10 30 FCEEMP C[NH+]1CCC[C@@H]1CCC(=O)N1C[C@@H]2C[N@@H+](CC(=O)NCC#N)CC[C@@H]2C1 ZINC001479666931 1263319179 /nfs/dbraw/zinc/31/91/79/1263319179.db2.gz IPCQHUQULBARCV-IXDOHACOSA-N 2 1 361.490 0.281 10 30 FCEEMP C[NH+]1CCC[C@@H]1CCC(=O)N1C[C@@H]2C[N@H+](CC(=O)NCC#N)CC[C@@H]2C1 ZINC001479666931 1263319193 /nfs/dbraw/zinc/31/91/93/1263319193.db2.gz IPCQHUQULBARCV-IXDOHACOSA-N 2 1 361.490 0.281 10 30 FCEEMP CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CC(=O)NCC#N)CC[C@@H]2C1)[NH+](CC)CC ZINC001316757281 1263461881 /nfs/dbraw/zinc/46/18/81/1263461881.db2.gz RRUPCHQZJLIHSQ-IKGGRYGDSA-N 2 1 363.506 0.527 10 30 FCEEMP CC[C@@H](C(=O)N1C[C@@H]2C[N@H+](CC(=O)NCC#N)CC[C@@H]2C1)[NH+](CC)CC ZINC001316757281 1263461885 /nfs/dbraw/zinc/46/18/85/1263461885.db2.gz RRUPCHQZJLIHSQ-IKGGRYGDSA-N 2 1 363.506 0.527 10 30 FCEEMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@@H+](C[C@@H](O)COC)CC[C@@H]3C2)CC1 ZINC001316759929 1263465461 /nfs/dbraw/zinc/46/54/61/1263465461.db2.gz KIKZMLAKMRQRKE-CEXWTWQISA-N 2 1 363.502 0.119 10 30 FCEEMP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001317065793 1263500482 /nfs/dbraw/zinc/50/04/82/1263500482.db2.gz XBBVAWYWTGAGAE-OTWHNJEPSA-N 2 1 370.497 0.825 10 30 FCEEMP C#CCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001317631472 1263518322 /nfs/dbraw/zinc/51/83/22/1263518322.db2.gz PIVCJVLWQQSYKA-UHOSZYNNSA-N 2 1 370.497 0.518 10 30 FCEEMP C[C@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)[NH+](C)CC(=O)NCC#N ZINC001506006537 1264286454 /nfs/dbraw/zinc/28/64/54/1264286454.db2.gz YZNQIANAAZTCHG-NXHRZFHOSA-N 2 1 371.485 0.408 10 30 FCEEMP C[C@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)[NH+](C)CC(=O)NCC#N ZINC001506006537 1264286459 /nfs/dbraw/zinc/28/64/59/1264286459.db2.gz YZNQIANAAZTCHG-NXHRZFHOSA-N 2 1 371.485 0.408 10 30 FCEEMP C[C@H](CNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1)[N@H+](C)CC(=O)NCC#N ZINC001506006537 1264286463 /nfs/dbraw/zinc/28/64/63/1264286463.db2.gz YZNQIANAAZTCHG-NXHRZFHOSA-N 2 1 371.485 0.408 10 30 FCEEMP C[C@H](CNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1)[N@@H+](C)CC(=O)NCC#N ZINC001506006537 1264286467 /nfs/dbraw/zinc/28/64/67/1264286467.db2.gz YZNQIANAAZTCHG-NXHRZFHOSA-N 2 1 371.485 0.408 10 30 FCEEMP C#CCNC(=O)C[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001568385829 1269729836 /nfs/dbraw/zinc/72/98/36/1269729836.db2.gz OHNVWFQQFBHPSF-FGTMMUONSA-N 2 1 362.518 0.827 10 30 FCEEMP C=CCNC(=O)C[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001713677056 1287290555 /nfs/dbraw/zinc/29/05/55/1287290555.db2.gz IINVHXVUXVDRQZ-ZMSDIMECSA-N 2 1 350.507 0.846 10 30 FCEEMP C#CCNC(=O)[C@@H](C)[N@@H+](C)CC1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001713764198 1287296523 /nfs/dbraw/zinc/29/65/23/1287296523.db2.gz SYKJXFGWHCQVJQ-JFIYKMOQSA-N 2 1 362.518 0.635 10 30 FCEEMP C#CCNC(=O)[C@@H](C)[NH+](C)CC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001713764198 1287296524 /nfs/dbraw/zinc/29/65/24/1287296524.db2.gz SYKJXFGWHCQVJQ-JFIYKMOQSA-N 2 1 362.518 0.635 10 30 FCEEMP C#CCNC(=O)[C@@H](C)[NH+](C)CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001713764198 1287296526 /nfs/dbraw/zinc/29/65/26/1287296526.db2.gz SYKJXFGWHCQVJQ-JFIYKMOQSA-N 2 1 362.518 0.635 10 30 FCEEMP C#CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC001716805928 1287389813 /nfs/dbraw/zinc/38/98/13/1287389813.db2.gz GTXMPGQATOVCNF-NXHRZFHOSA-N 2 1 360.502 0.484 10 30 FCEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCS(C)(=O)=O)C1 ZINC001707108766 1286447802 /nfs/dbraw/zinc/44/78/02/1286447802.db2.gz WDZYZDGJURZMDF-XHSDSOJGSA-N 2 1 355.504 0.003 10 30 FCEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCS(C)(=O)=O)C1 ZINC001707108766 1286447804 /nfs/dbraw/zinc/44/78/04/1286447804.db2.gz WDZYZDGJURZMDF-XHSDSOJGSA-N 2 1 355.504 0.003 10 30 FCEEMP C[C@@H]1[C@H](C(=O)NC[C@H](CO)[NH2+]Cc2ccc(OCC#N)cc2)CC[N@H+]1C ZINC001700791902 1289608628 /nfs/dbraw/zinc/60/86/28/1289608628.db2.gz MOKFHBBEILRELA-QGPMSJSTSA-N 2 1 360.458 0.496 10 30 FCEEMP C#CC[NH+]1CCC(C(=O)NC[C@H](C)NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001758780433 1290840392 /nfs/dbraw/zinc/84/03/92/1290840392.db2.gz DQUBLYXJZOFRQK-RYQLBKOJSA-N 2 1 362.518 0.683 10 30 FCEEMP C=CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001656055215 1291495389 /nfs/dbraw/zinc/49/53/89/1291495389.db2.gz IFHKKOPUJMTZMW-BZUAXINKSA-N 2 1 352.479 0.026 10 30 FCEEMP C=CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001656055215 1291495396 /nfs/dbraw/zinc/49/53/96/1291495396.db2.gz IFHKKOPUJMTZMW-BZUAXINKSA-N 2 1 352.479 0.026 10 30 FCEEMP C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@H]1CC ZINC001656737671 1291558774 /nfs/dbraw/zinc/55/87/74/1291558774.db2.gz HUBDTLCRCJRUPS-JKSUJKDBSA-N 2 1 350.507 0.683 10 30 FCEEMP C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@H]1CC ZINC001656737671 1291558780 /nfs/dbraw/zinc/55/87/80/1291558780.db2.gz HUBDTLCRCJRUPS-JKSUJKDBSA-N 2 1 350.507 0.683 10 30 FCEEMP C#CCNC(=O)C[NH+]1CC[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@H]1CC ZINC001656737671 1291558786 /nfs/dbraw/zinc/55/87/86/1291558786.db2.gz HUBDTLCRCJRUPS-JKSUJKDBSA-N 2 1 350.507 0.683 10 30 FCEEMP C#CCNC(=O)C[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@H]1CC ZINC001656737671 1291558794 /nfs/dbraw/zinc/55/87/94/1291558794.db2.gz HUBDTLCRCJRUPS-JKSUJKDBSA-N 2 1 350.507 0.683 10 30 FCEEMP C[NH+](C)CC#CCNC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC001687889433 1293026411 /nfs/dbraw/zinc/02/64/11/1293026411.db2.gz XTCIAZFEJWSBHA-RTBURBONSA-N 2 1 358.486 0.734 10 30 FCEEMP C#CCNC(=O)[C@@H](C)[N@@H+](C)CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C(C)C ZINC001278907837 862565317 /nfs/dbraw/zinc/56/53/17/862565317.db2.gz JHDSFAJNPVYEPJ-BRWVUGGUSA-N 2 1 350.507 0.633 10 30 FCEEMP C#CCNC(=O)[C@@H](C)[N@H+](C)CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C(C)C ZINC001278907837 862565329 /nfs/dbraw/zinc/56/53/29/862565329.db2.gz JHDSFAJNPVYEPJ-BRWVUGGUSA-N 2 1 350.507 0.633 10 30 FCEEMP C#CCNC(=O)[C@@H](C)[NH+](C)CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(C)C ZINC001278907837 862565340 /nfs/dbraw/zinc/56/53/40/862565340.db2.gz JHDSFAJNPVYEPJ-BRWVUGGUSA-N 2 1 350.507 0.633 10 30 FCEEMP C#CCNC(=O)[C@@H](C)[NH+](C)CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(C)C ZINC001278907837 862565353 /nfs/dbraw/zinc/56/53/53/862565353.db2.gz JHDSFAJNPVYEPJ-BRWVUGGUSA-N 2 1 350.507 0.633 10 30 FCEEMP C=CC[C@]1(C(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)CCC[NH2+]1 ZINC001262045759 858765828 /nfs/dbraw/zinc/76/58/28/858765828.db2.gz AKHNMRPZEOWPFN-PKOBYXMFSA-N 2 1 350.507 0.598 10 30 FCEEMP CN(C)C(=O)CNC(NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)=[NH+]C[C@@H]1CCCO1 ZINC000262298855 229302410 /nfs/dbraw/zinc/30/24/10/229302410.db2.gz NFMMSLYRFCCFFK-HMQMGEFJSA-N 2 1 365.522 0.804 10 30 FCEEMP C[C@@H]1C[C@H](NC(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)C[N@@H+]1C1CC1 ZINC000329992767 489058927 /nfs/dbraw/zinc/05/89/27/489058927.db2.gz XUZNRARBZUXFEQ-CABCVRRESA-N 2 1 351.495 0.622 10 30 FCEEMP C[C@@H]1C[C@H](NC(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)C[N@H+]1C1CC1 ZINC000329992767 489058928 /nfs/dbraw/zinc/05/89/28/489058928.db2.gz XUZNRARBZUXFEQ-CABCVRRESA-N 2 1 351.495 0.622 10 30 FCEEMP C#CCNC(=O)CC[NH+]1CCCC2(CCC[N@H+](CCC(=O)NCC#C)C2)C1 ZINC000293691042 489185627 /nfs/dbraw/zinc/18/56/27/489185627.db2.gz WILKPIGFXMFVMS-UHFFFAOYSA-N 2 1 372.513 0.443 10 30 FCEEMP C[C@@H]1C[N@@H+](CC#CCN2C[C@H](C)O[C@@]3(CCOC3)C2)C[C@]2(CCOC2)O1 ZINC000367456724 489207334 /nfs/dbraw/zinc/20/73/34/489207334.db2.gz CQVVRJGHCNPVGM-YRPNKDGESA-N 2 1 364.486 0.749 10 30 FCEEMP C[C@@H]1C[N@H+](CC#CCN2C[C@H](C)O[C@@]3(CCOC3)C2)C[C@]2(CCOC2)O1 ZINC000367456724 489207337 /nfs/dbraw/zinc/20/73/37/489207337.db2.gz CQVVRJGHCNPVGM-YRPNKDGESA-N 2 1 364.486 0.749 10 30 FCEEMP OC[C@H]1CN(CC#CC[N@@H+]2CCC(F)(F)[C@@H](CO)C2)CCC1(F)F ZINC000463229284 490006442 /nfs/dbraw/zinc/00/64/42/490006442.db2.gz CDLINSGRUIZCNA-ZIAGYGMSSA-N 2 1 352.372 0.889 10 30 FCEEMP OC[C@H]1CN(CC#CC[N@H+]2CCC(F)(F)[C@@H](CO)C2)CCC1(F)F ZINC000463229284 490006444 /nfs/dbraw/zinc/00/64/44/490006444.db2.gz CDLINSGRUIZCNA-ZIAGYGMSSA-N 2 1 352.372 0.889 10 30 FCEEMP C[NH+]=C(NC[C@@H]1CCC[N@@H+]1CCOC)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000261749581 526370239 /nfs/dbraw/zinc/37/02/39/526370239.db2.gz LQXMVAFFHBLLBE-YJBOKZPZSA-N 2 1 351.495 0.275 10 30 FCEEMP C[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)N[C@@H]1CC(=O)N(c2cccc(OC)c2)C1 ZINC000262972585 526413066 /nfs/dbraw/zinc/41/30/66/526413066.db2.gz SBZQCQNWIYCRRN-LSDHHAIUSA-N 2 1 359.474 0.917 10 30 FCEEMP CC(C)[NH+](CC#CC[N@@H+](C[C@@H]1CCC(=O)N1)C(C)C)C[C@@H]1CCC(=O)N1 ZINC000412071782 528857331 /nfs/dbraw/zinc/85/73/31/528857331.db2.gz HWSXQVIRDPBXKE-ROUUACIJSA-N 2 1 362.518 0.968 10 30 FCEEMP CCOC(=O)N1CCC(NC(=[NH2+])NC[C@H]2CCC[N@H+]2CCOC)CC1 ZINC000303975179 674573998 /nfs/dbraw/zinc/57/39/98/674573998.db2.gz ISKNTZHGOLFTAD-OAHLLOKOSA-N 2 1 355.483 0.622 10 30 FCEEMP C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001481231733 1182926191 /nfs/dbraw/zinc/92/61/91/1182926191.db2.gz NDBNKTOYBAGSHR-SOUVJXGZSA-N 2 1 367.494 0.165 10 30 FCEEMP C#CCNC(=O)CN(C)C[C@@H](C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001268744781 1187768052 /nfs/dbraw/zinc/76/80/52/1187768052.db2.gz CAVQILWGYSZNIL-QRQLOZEOSA-N 2 1 370.497 0.518 10 30 FCEEMP C#CCNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001268744781 1187768056 /nfs/dbraw/zinc/76/80/56/1187768056.db2.gz CAVQILWGYSZNIL-QRQLOZEOSA-N 2 1 370.497 0.518 10 30 FCEEMP C#CCNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001268744781 1187768059 /nfs/dbraw/zinc/76/80/59/1187768059.db2.gz CAVQILWGYSZNIL-QRQLOZEOSA-N 2 1 370.497 0.518 10 30 FCEEMP C#CCNC(=O)C[NH+](C)C[C@@H](C)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001268744781 1187768063 /nfs/dbraw/zinc/76/80/63/1187768063.db2.gz CAVQILWGYSZNIL-QRQLOZEOSA-N 2 1 370.497 0.518 10 30 FCEEMP C#CCNC(=O)C[NH+](C)C[C@@H](C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001268744781 1187768068 /nfs/dbraw/zinc/76/80/68/1187768068.db2.gz CAVQILWGYSZNIL-QRQLOZEOSA-N 2 1 370.497 0.518 10 30 FCEEMP C=CC1CCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)CC1 ZINC001119607615 1221939739 /nfs/dbraw/zinc/93/97/39/1221939739.db2.gz HXPGPBYBQGGQBV-HDICACEKSA-N 2 1 360.502 0.838 10 30 FCEEMP C=CC1CCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)CC1 ZINC001119607615 1221939742 /nfs/dbraw/zinc/93/97/42/1221939742.db2.gz HXPGPBYBQGGQBV-HDICACEKSA-N 2 1 360.502 0.838 10 30 FCEEMP C#CCNC(=O)C[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)CC1 ZINC001280387502 1261061603 /nfs/dbraw/zinc/06/16/03/1261061603.db2.gz BUDZSELNYOYOKW-DLBZAZTESA-N 2 1 360.502 0.391 10 30 FCEEMP C#CCN1CCN(c2nnc(C)n2C[C@H](C(C)C)N2CCOCC2)CC1 ZINC001300683958 1262994639 /nfs/dbraw/zinc/99/46/39/1262994639.db2.gz UZXRAJYVNFOVFN-GOSISDBHSA-N 2 1 360.506 0.699 10 30 FCEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)NCC2CC2)C1 ZINC001316652253 1263398495 /nfs/dbraw/zinc/39/84/95/1263398495.db2.gz HTPCGIXQXWYWAR-KSZLIROESA-N 2 1 360.502 0.485 10 30 FCEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)NCC2CC2)C1 ZINC001316652253 1263398506 /nfs/dbraw/zinc/39/85/06/1263398506.db2.gz HTPCGIXQXWYWAR-KSZLIROESA-N 2 1 360.502 0.485 10 30 FCEEMP C=C(C)CN(CC)C(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001480110255 1263423375 /nfs/dbraw/zinc/42/33/75/1263423375.db2.gz HVSFXAKUCQRKEW-IXDOHACOSA-N 2 1 350.507 0.942 10 30 FCEEMP C#CCNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001317631470 1263518554 /nfs/dbraw/zinc/51/85/54/1263518554.db2.gz PIVCJVLWQQSYKA-QRQLOZEOSA-N 2 1 370.497 0.518 10 30 FCEEMP C[C@@H]1[C@H](C(=O)NC[C@@]2(O)CC[NH+](Cc3cccc(C#N)c3)C2)CC[N@H+]1C ZINC001500677496 1264080285 /nfs/dbraw/zinc/08/02/85/1264080285.db2.gz KKYKPJQZPLXPNS-ZTNFWEORSA-N 2 1 356.470 0.951 10 30 FCEEMP C[C@@H]1[C@H](C(=O)NC[C@@]2(O)CC[N@H+](Cc3cccc(C#N)c3)C2)CC[NH+]1C ZINC001500677496 1264080297 /nfs/dbraw/zinc/08/02/97/1264080297.db2.gz KKYKPJQZPLXPNS-ZTNFWEORSA-N 2 1 356.470 0.951 10 30 FCEEMP C[C@@H]1[C@H](C(=O)NC[C@@]2(O)CC[N@@H+](Cc3cccc(C#N)c3)C2)CC[NH+]1C ZINC001500677496 1264080303 /nfs/dbraw/zinc/08/03/03/1264080303.db2.gz KKYKPJQZPLXPNS-ZTNFWEORSA-N 2 1 356.470 0.951 10 30 FCEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001574049812 1271034143 /nfs/dbraw/zinc/03/41/43/1271034143.db2.gz ICUGDLFLZFIEGM-KURKYZTESA-N 2 1 362.518 0.637 10 30 FCEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001574049812 1271034149 /nfs/dbraw/zinc/03/41/49/1271034149.db2.gz ICUGDLFLZFIEGM-KURKYZTESA-N 2 1 362.518 0.637 10 30 FCEEMP C=CCNC(=O)NC(=O)C[NH+](C)CCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001715522287 1287354013 /nfs/dbraw/zinc/35/40/13/1287354013.db2.gz WLGIGZSGAZOZPO-LSDHHAIUSA-N 2 1 367.494 0.119 10 30 FCEEMP C=CCNC(=O)NC(=O)C[NH+](C)CCN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001715522287 1287354014 /nfs/dbraw/zinc/35/40/14/1287354014.db2.gz WLGIGZSGAZOZPO-LSDHHAIUSA-N 2 1 367.494 0.119 10 30 FCEEMP C=CCNC(=O)NC(=O)C[N@@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001715522287 1287354015 /nfs/dbraw/zinc/35/40/15/1287354015.db2.gz WLGIGZSGAZOZPO-LSDHHAIUSA-N 2 1 367.494 0.119 10 30 FCEEMP C=CCNC(=O)NC(=O)C[N@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001715522287 1287354016 /nfs/dbraw/zinc/35/40/16/1287354016.db2.gz WLGIGZSGAZOZPO-LSDHHAIUSA-N 2 1 367.494 0.119 10 30 FCEEMP CC[C@@H]1[C@@H](C(=O)NC[C@H](O)C[NH2+]CC#Cc2ccc(F)cc2)CC[N@H+]1C ZINC001716087800 1287369607 /nfs/dbraw/zinc/36/96/07/1287369607.db2.gz NKAWATHGQDAGPE-CEXWTWQISA-N 2 1 361.461 0.974 10 30 FCEEMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[NH+](CC(=O)NCC#N)CC2(C)C)CC[N@@H+]1C ZINC001717309549 1287417207 /nfs/dbraw/zinc/41/72/07/1287417207.db2.gz OPNWPDMNSLHOQA-XHSDSOJGSA-N 2 1 363.506 0.573 10 30 FCEEMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[NH+](CC(=O)NCC#N)CC2(C)C)CC[N@H+]1C ZINC001717309549 1287417214 /nfs/dbraw/zinc/41/72/14/1287417214.db2.gz OPNWPDMNSLHOQA-XHSDSOJGSA-N 2 1 363.506 0.573 10 30 FCEEMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)CC2(C)C)CC[NH+]1C ZINC001717309549 1287417221 /nfs/dbraw/zinc/41/72/21/1287417221.db2.gz OPNWPDMNSLHOQA-XHSDSOJGSA-N 2 1 363.506 0.573 10 30 FCEEMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)CC2(C)C)CC[NH+]1C ZINC001717309549 1287417227 /nfs/dbraw/zinc/41/72/27/1287417227.db2.gz OPNWPDMNSLHOQA-XHSDSOJGSA-N 2 1 363.506 0.573 10 30 FCEEMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)CC[N@H+](C)CC)[C@@H]2C)CC1 ZINC001702716265 1285813344 /nfs/dbraw/zinc/81/33/44/1285813344.db2.gz VXKOTTJGXNRNBR-AEFFLSMTSA-N 2 1 362.518 0.779 10 30 FCEEMP C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C[N@H+](C)C(C)C)C3)CC1 ZINC001702987854 1286037781 /nfs/dbraw/zinc/03/77/81/1286037781.db2.gz BDVNHSWAXLQCKG-QRVBRYPASA-N 2 1 374.529 0.920 10 30 FCEEMP C=C[C@@H]1OCC[C@H]1C(=O)NCCC[NH+]1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001703779063 1286140364 /nfs/dbraw/zinc/14/03/64/1286140364.db2.gz RMHQGNSWCOSFBS-SJORKVTESA-N 2 1 366.506 0.180 10 30 FCEEMP C#CC[NH+]1CCC(C(=O)NC2(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)CC1 ZINC001705269095 1286365481 /nfs/dbraw/zinc/36/54/81/1286365481.db2.gz PUVYDCLEOPJQGB-NVXWUHKLSA-N 2 1 360.502 0.437 10 30 FCEEMP C[C@@H]1[C@H](C(=O)N2CC[C@]3(C2)CCC[NH+](CC(=O)NCC#N)C3)CC[N@@H+]1C ZINC001723680855 1288427808 /nfs/dbraw/zinc/42/78/08/1288427808.db2.gz RMLIDDXGFXZQQJ-GPMSIDNRSA-N 2 1 361.490 0.281 10 30 FCEEMP C[C@@H]1[C@H](C(=O)N2CC[C@]3(C2)CCC[NH+](CC(=O)NCC#N)C3)CC[N@H+]1C ZINC001723680855 1288427809 /nfs/dbraw/zinc/42/78/09/1288427809.db2.gz RMLIDDXGFXZQQJ-GPMSIDNRSA-N 2 1 361.490 0.281 10 30 FCEEMP C[C@@H]1[C@H](C(=O)N2CC[C@]3(C2)CCC[N@H+](CC(=O)NCC#N)C3)CC[NH+]1C ZINC001723680855 1288427811 /nfs/dbraw/zinc/42/78/11/1288427811.db2.gz RMLIDDXGFXZQQJ-GPMSIDNRSA-N 2 1 361.490 0.281 10 30 FCEEMP C[C@@H]1[C@H](C(=O)N2CC[C@]3(C2)CCC[N@@H+](CC(=O)NCC#N)C3)CC[NH+]1C ZINC001723680855 1288427813 /nfs/dbraw/zinc/42/78/13/1288427813.db2.gz RMLIDDXGFXZQQJ-GPMSIDNRSA-N 2 1 361.490 0.281 10 30 FCEEMP C=CCNC(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001674375930 1292139155 /nfs/dbraw/zinc/13/91/55/1292139155.db2.gz WXDKJAWVQUMEQX-YESZJQIVSA-N 2 1 350.507 0.990 10 30 FCEEMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)C[N@H+](C)CCC)[C@@H]2C)CC1 ZINC001685265441 1292475567 /nfs/dbraw/zinc/47/55/67/1292475567.db2.gz IRKVYSYRQGKVCD-AEFFLSMTSA-N 2 1 362.518 0.779 10 30 FCEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCCS(C)(=O)=O)C1 ZINC001263905240 859233072 /nfs/dbraw/zinc/23/30/72/859233072.db2.gz QXRYUELNFRYRAG-BBWFWOEESA-N 2 1 369.531 0.393 10 30 FCEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCCS(C)(=O)=O)C1 ZINC001263905240 859233084 /nfs/dbraw/zinc/23/30/84/859233084.db2.gz QXRYUELNFRYRAG-BBWFWOEESA-N 2 1 369.531 0.393 10 30 FCEEMP C=CCNC(=O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001264564497 859386396 /nfs/dbraw/zinc/38/63/96/859386396.db2.gz ULGDCRQXZODDTE-ZACQAIPSSA-N 2 1 350.507 0.847 10 30 FCEEMP C=CC[C@H]1CC[N@H+](CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)C1 ZINC000625705639 492865973 /nfs/dbraw/zinc/86/59/73/492865973.db2.gz WRLMGCIHNFNQKN-HNNXBMFYSA-N 2 1 369.473 0.910 10 30 FCEEMP C[NH+]=C(NCCN1CCC[N@@H+](C)CC1)N1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000261772346 526356019 /nfs/dbraw/zinc/35/60/19/526356019.db2.gz DVQOKCFVTUPQSE-UHFFFAOYSA-N 2 1 366.554 0.531 10 30 FCEEMP C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCN1C)N1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000261804920 526372743 /nfs/dbraw/zinc/37/27/43/526372743.db2.gz SCGJIXPAECBKLC-HUUCEWRRSA-N 2 1 353.511 0.471 10 30 FCEEMP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000876756289 672977544 /nfs/dbraw/zinc/97/75/44/672977544.db2.gz QKLNQGFXZNSYEL-OAHLLOKOSA-N 2 1 356.898 0.859 10 30 FCEEMP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)CC1 ZINC000930006277 673991909 /nfs/dbraw/zinc/99/19/09/673991909.db2.gz DNDKURFPOVBOET-CVEARBPZSA-N 2 1 366.531 0.449 10 30 FCEEMP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCC[N@H+]3CCSC[C@@H]23)CC1 ZINC000930006277 673991912 /nfs/dbraw/zinc/99/19/12/673991912.db2.gz DNDKURFPOVBOET-CVEARBPZSA-N 2 1 366.531 0.449 10 30 FCEEMP C=CCNC(=O)C[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001269693604 1187863133 /nfs/dbraw/zinc/86/31/33/1187863133.db2.gz WXGNMJHADFRXQP-HLIPFELVSA-N 2 1 362.518 0.943 10 30 FCEEMP C=CCNC(=O)C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001269693604 1187863135 /nfs/dbraw/zinc/86/31/35/1187863135.db2.gz WXGNMJHADFRXQP-HLIPFELVSA-N 2 1 362.518 0.943 10 30 FCEEMP C#CCN(C(=O)C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C)C1CC[NH+](C)CC1 ZINC000910885247 1195857132 /nfs/dbraw/zinc/85/71/32/1195857132.db2.gz JPQSHBQTWBYFEM-KRWDZBQOSA-N 2 1 362.518 0.875 10 30 FCEEMP C#CCN(C(=O)C(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2)C1CC[NH+](C)CC1 ZINC000910887074 1195857910 /nfs/dbraw/zinc/85/79/10/1195857910.db2.gz YVUNKEQXGJFFLN-HXUWFJFHSA-N 2 1 360.502 0.487 10 30 FCEEMP COC(=O)C1(C#N)CCN(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)CC1 ZINC000820087314 1203178505 /nfs/dbraw/zinc/17/85/05/1203178505.db2.gz ULMDPYHLRJJJAV-HNNXBMFYSA-N 2 1 367.494 0.747 10 30 FCEEMP COC(=O)C1(C#N)CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)CC1 ZINC000820087314 1203178509 /nfs/dbraw/zinc/17/85/09/1203178509.db2.gz ULMDPYHLRJJJAV-HNNXBMFYSA-N 2 1 367.494 0.747 10 30 FCEEMP CC(C)[N@@H+]1CCO[C@@H](C(=[NH2+])NOCC(=O)NCc2cccc(C#N)c2)C1 ZINC000779651134 1212804887 /nfs/dbraw/zinc/80/48/87/1212804887.db2.gz BWCUNQHMGHSIAD-MRXNPFEDSA-N 2 1 359.430 0.782 10 30 FCEEMP CC(C)[N@H+]1CCO[C@@H](C(=[NH2+])NOCC(=O)NCc2cccc(C#N)c2)C1 ZINC000779651134 1212804888 /nfs/dbraw/zinc/80/48/88/1212804888.db2.gz BWCUNQHMGHSIAD-MRXNPFEDSA-N 2 1 359.430 0.782 10 30 FCEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000941220670 1246506793 /nfs/dbraw/zinc/50/67/93/1246506793.db2.gz WPJJHULDOARKGI-KURKYZTESA-N 2 1 360.502 0.485 10 30 FCEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000941220670 1246506801 /nfs/dbraw/zinc/50/68/01/1246506801.db2.gz WPJJHULDOARKGI-KURKYZTESA-N 2 1 360.502 0.485 10 30 FCEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC000941220670 1246506808 /nfs/dbraw/zinc/50/68/08/1246506808.db2.gz WPJJHULDOARKGI-KURKYZTESA-N 2 1 360.502 0.485 10 30 FCEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC000941220670 1246506813 /nfs/dbraw/zinc/50/68/13/1246506813.db2.gz WPJJHULDOARKGI-KURKYZTESA-N 2 1 360.502 0.485 10 30 FCEEMP C=CCNC(=O)[C@@H](C)[N@H+]1CCCC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001330487313 1266035998 /nfs/dbraw/zinc/03/59/98/1266035998.db2.gz WASSGXNCOKUQBL-BRWVUGGUSA-N 2 1 362.518 0.942 10 30 FCEEMP C=CCNC(=O)[C@@H](C)[NH+]1CCCC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001330487313 1266036010 /nfs/dbraw/zinc/03/60/10/1266036010.db2.gz WASSGXNCOKUQBL-BRWVUGGUSA-N 2 1 362.518 0.942 10 30 FCEEMP C=CCNC(=O)[C@@H](C)[NH+]1CCCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001330487313 1266036021 /nfs/dbraw/zinc/03/60/21/1266036021.db2.gz WASSGXNCOKUQBL-BRWVUGGUSA-N 2 1 362.518 0.942 10 30 FCEEMP CC(C)(C(=O)N1C[C@@H]2C[N@@H+](CC(=O)NCC#N)CC[C@@H]2C1)[NH+]1CCCC1 ZINC001264649349 1260390332 /nfs/dbraw/zinc/39/03/32/1260390332.db2.gz XXGJJMNJYRMZLW-CVEARBPZSA-N 2 1 361.490 0.281 10 30 FCEEMP CC(C)(C(=O)N1C[C@@H]2C[N@H+](CC(=O)NCC#N)CC[C@@H]2C1)[NH+]1CCCC1 ZINC001264649349 1260390336 /nfs/dbraw/zinc/39/03/36/1260390336.db2.gz XXGJJMNJYRMZLW-CVEARBPZSA-N 2 1 361.490 0.281 10 30 FCEEMP C=CCN(CC=C)C(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001265977359 1260422340 /nfs/dbraw/zinc/42/23/40/1260422340.db2.gz YOEPUOKEIPKRFG-KZNAEPCWSA-N 2 1 362.518 0.965 10 30 FCEEMP C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)[C@H]1CC ZINC001479647311 1263301484 /nfs/dbraw/zinc/30/14/84/1263301484.db2.gz JZPQZIIKLNDHCZ-LSDHHAIUSA-N 2 1 367.494 0.308 10 30 FCEEMP C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)[C@H]1CC ZINC001479647311 1263301497 /nfs/dbraw/zinc/30/14/97/1263301497.db2.gz JZPQZIIKLNDHCZ-LSDHHAIUSA-N 2 1 367.494 0.308 10 30 FCEEMP C=CCNC(=O)NC(=O)C[NH+]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)[C@H]1CC ZINC001479647311 1263301506 /nfs/dbraw/zinc/30/15/06/1263301506.db2.gz JZPQZIIKLNDHCZ-LSDHHAIUSA-N 2 1 367.494 0.308 10 30 FCEEMP C=CCNC(=O)NC(=O)C[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)[C@H]1CC ZINC001479647311 1263301520 /nfs/dbraw/zinc/30/15/20/1263301520.db2.gz JZPQZIIKLNDHCZ-LSDHHAIUSA-N 2 1 367.494 0.308 10 30 FCEEMP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH+]2CCN(CC#CCOC)CC2)CC[N@@H+]1C ZINC001494092384 1263752114 /nfs/dbraw/zinc/75/21/14/1263752114.db2.gz MSCZYOURYXWGIM-RBUKOAKNSA-N 2 1 364.534 0.443 10 30 FCEEMP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH+]2CCN(CC#CCOC)CC2)CC[N@H+]1C ZINC001494092384 1263752119 /nfs/dbraw/zinc/75/21/19/1263752119.db2.gz MSCZYOURYXWGIM-RBUKOAKNSA-N 2 1 364.534 0.443 10 30 FCEEMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3CC(=O)NCC#N)CC[N@@H+]1C ZINC001500140552 1264056170 /nfs/dbraw/zinc/05/61/70/1264056170.db2.gz DYSNDLASGIHUSZ-LTIDMASMSA-N 2 1 361.490 0.422 10 30 FCEEMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3CC(=O)NCC#N)CC[N@H+]1C ZINC001500140552 1264056175 /nfs/dbraw/zinc/05/61/75/1264056175.db2.gz DYSNDLASGIHUSZ-LTIDMASMSA-N 2 1 361.490 0.422 10 30 FCEEMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)NCC#N)CC[NH+]1C ZINC001500140552 1264056177 /nfs/dbraw/zinc/05/61/77/1264056177.db2.gz DYSNDLASGIHUSZ-LTIDMASMSA-N 2 1 361.490 0.422 10 30 FCEEMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)NCC#N)CC[NH+]1C ZINC001500140552 1264056183 /nfs/dbraw/zinc/05/61/83/1264056183.db2.gz DYSNDLASGIHUSZ-LTIDMASMSA-N 2 1 361.490 0.422 10 30 FCEEMP C#CCNC(=O)C[NH2+][C@@H](CCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(C)C ZINC001506178068 1264300190 /nfs/dbraw/zinc/30/01/90/1264300190.db2.gz DJRPGLLCWBAOEX-ZACQAIPSSA-N 2 1 350.507 0.539 10 30 FCEEMP C=C1[C@H](C(=O)N2C[C@@H]3CC[NH+](C)[C@@H]3C2)[C@@H]1C(=O)N1C[C@H]2CC[N@H+](C)[C@H]2C1 ZINC001334183217 1266870955 /nfs/dbraw/zinc/87/09/55/1266870955.db2.gz VMBWFUQVJMEUPF-CKYTUPMTSA-N 2 1 358.486 0.114 10 30 FCEEMP C=C1[C@H](C(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)[C@@H]1C(=O)N1C[C@H]2CC[NH+](C)[C@H]2C1 ZINC001334183217 1266870968 /nfs/dbraw/zinc/87/09/68/1266870968.db2.gz VMBWFUQVJMEUPF-CKYTUPMTSA-N 2 1 358.486 0.114 10 30 FCEEMP C=C1[C@H](C(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)[C@@H]1C(=O)N1C[C@H]2CC[NH+](C)[C@H]2C1 ZINC001334183217 1266870985 /nfs/dbraw/zinc/87/09/85/1266870985.db2.gz VMBWFUQVJMEUPF-CKYTUPMTSA-N 2 1 358.486 0.114 10 30 FCEEMP C#CCC[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1c1cnn(C)c1 ZINC001565927357 1269523354 /nfs/dbraw/zinc/52/33/54/1269523354.db2.gz XQRFZPVPGJNFRW-ZWKOTPCHSA-N 2 1 359.474 0.050 10 30 FCEEMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC(=O)N[C@H](C)CC)[C@@H]2C)CC1 ZINC001566115661 1269615609 /nfs/dbraw/zinc/61/56/09/1269615609.db2.gz NPXUEYUMEBZJDZ-NUJGCVRESA-N 2 1 362.518 0.825 10 30 FCEEMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC(=O)N[C@H](C)CC)[C@@H]2C)CC1 ZINC001566115661 1269615613 /nfs/dbraw/zinc/61/56/13/1269615613.db2.gz NPXUEYUMEBZJDZ-NUJGCVRESA-N 2 1 362.518 0.825 10 30 FCEEMP CC[C@@H]1[C@@H](C(=O)N2CC[NH+](CCCNC(=O)[C@H](C)C#N)CC2)CC[N@@H+]1C ZINC001577839574 1274961521 /nfs/dbraw/zinc/96/15/21/1274961521.db2.gz GNTXUYIGUNJTAJ-IXDOHACOSA-N 2 1 363.506 0.527 10 30 FCEEMP CC[C@@H]1[C@@H](C(=O)N2CC[NH+](CCCNC(=O)[C@H](C)C#N)CC2)CC[N@H+]1C ZINC001577839574 1274961531 /nfs/dbraw/zinc/96/15/31/1274961531.db2.gz GNTXUYIGUNJTAJ-IXDOHACOSA-N 2 1 363.506 0.527 10 30 FCEEMP C#CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC[NH+](C[C@@H](O)COC)CC1 ZINC001716805861 1287389930 /nfs/dbraw/zinc/38/99/30/1287389930.db2.gz DKFGRPIZMRWBIU-KBAYOESNSA-N 2 1 351.491 0.260 10 30 FCEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)CC[N@@H+](C)CC)[C@@H]2C1 ZINC001683879854 1284124378 /nfs/dbraw/zinc/12/43/78/1284124378.db2.gz WXYPISQIWHOOLV-FGTMMUONSA-N 2 1 360.502 0.485 10 30 FCEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)CC[N@H+](C)CC)[C@@H]2C1 ZINC001683879854 1284124383 /nfs/dbraw/zinc/12/43/83/1284124383.db2.gz WXYPISQIWHOOLV-FGTMMUONSA-N 2 1 360.502 0.485 10 30 FCEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)CC[NH+](C)CC)[C@@H]2C1 ZINC001683879854 1284124385 /nfs/dbraw/zinc/12/43/85/1284124385.db2.gz WXYPISQIWHOOLV-FGTMMUONSA-N 2 1 360.502 0.485 10 30 FCEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)CC[NH+](C)CC)[C@@H]2C1 ZINC001683879854 1284124388 /nfs/dbraw/zinc/12/43/88/1284124388.db2.gz WXYPISQIWHOOLV-FGTMMUONSA-N 2 1 360.502 0.485 10 30 FCEEMP C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001707160568 1286483474 /nfs/dbraw/zinc/48/34/74/1286483474.db2.gz OCYHMAMAZQOMGN-NUJGCVRESA-N 2 1 362.518 0.825 10 30 FCEEMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](CC[NH2+]CC(=O)NCC#N)C2)CC[N@H+]1C ZINC001732274677 1288580125 /nfs/dbraw/zinc/58/01/25/1288580125.db2.gz LAZBDLAITISUNA-YESZJQIVSA-N 2 1 363.506 0.575 10 30 FCEEMP CC[C@@H]1[C@@H](C(=O)N2CC[C@]3(CC[NH+](CC(=O)NCC#N)C3)C2)CC[N@@H+]1C ZINC001733293328 1288607482 /nfs/dbraw/zinc/60/74/82/1288607482.db2.gz CYORHBJRFJHGAF-FCEWJHQRSA-N 2 1 361.490 0.281 10 30 FCEEMP CC[C@@H]1[C@@H](C(=O)N2CC[C@]3(CC[NH+](CC(=O)NCC#N)C3)C2)CC[N@H+]1C ZINC001733293328 1288607486 /nfs/dbraw/zinc/60/74/86/1288607486.db2.gz CYORHBJRFJHGAF-FCEWJHQRSA-N 2 1 361.490 0.281 10 30 FCEEMP CC[C@@H]1[C@@H](C(=O)N2CC[C@]3(CC[N@H+](CC(=O)NCC#N)C3)C2)CC[NH+]1C ZINC001733293328 1288607491 /nfs/dbraw/zinc/60/74/91/1288607491.db2.gz CYORHBJRFJHGAF-FCEWJHQRSA-N 2 1 361.490 0.281 10 30 FCEEMP CC[C@@H]1[C@@H](C(=O)N2CC[C@]3(CC[N@@H+](CC(=O)NCC#N)C3)C2)CC[NH+]1C ZINC001733293328 1288607496 /nfs/dbraw/zinc/60/74/96/1288607496.db2.gz CYORHBJRFJHGAF-FCEWJHQRSA-N 2 1 361.490 0.281 10 30 FCEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001702260285 1289922377 /nfs/dbraw/zinc/92/23/77/1289922377.db2.gz FBIGEEMGOHTACO-KURKYZTESA-N 2 1 362.518 0.779 10 30 FCEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001702260285 1289922383 /nfs/dbraw/zinc/92/23/83/1289922383.db2.gz FBIGEEMGOHTACO-KURKYZTESA-N 2 1 362.518 0.779 10 30 FCEEMP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001656254766 1291502923 /nfs/dbraw/zinc/50/29/23/1291502923.db2.gz ZVIBCGFTWALCMP-NZSAHSFTSA-N 2 1 370.497 0.660 10 30 FCEEMP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001656254766 1291502926 /nfs/dbraw/zinc/50/29/26/1291502926.db2.gz ZVIBCGFTWALCMP-NZSAHSFTSA-N 2 1 370.497 0.660 10 30 FCEEMP C=CCNC(=O)C[N@H+]1CC[C@@H](N(CCC)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001317758541 867554844 /nfs/dbraw/zinc/55/48/44/867554844.db2.gz JBTSIWLWMAHPPN-BRWVUGGUSA-N 2 1 350.507 0.942 10 30 FCEEMP C=CCNC(=O)C[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001317758541 867554854 /nfs/dbraw/zinc/55/48/54/867554854.db2.gz JBTSIWLWMAHPPN-BRWVUGGUSA-N 2 1 350.507 0.942 10 30 FCEEMP C=CCNC(=O)C[NH+]1CC[C@@H](N(CCC)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001317758541 867554863 /nfs/dbraw/zinc/55/48/63/867554863.db2.gz JBTSIWLWMAHPPN-BRWVUGGUSA-N 2 1 350.507 0.942 10 30 FCEEMP C=CCNC(=O)C[NH+]1CC[C@@H](N(CCC)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001317758541 867554870 /nfs/dbraw/zinc/55/48/70/867554870.db2.gz JBTSIWLWMAHPPN-BRWVUGGUSA-N 2 1 350.507 0.942 10 30 FCEEMP N#CC1(C[C@@H](O)C[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CCOCC1 ZINC001331852378 873275187 /nfs/dbraw/zinc/27/51/87/873275187.db2.gz XHBVHZCJSZPGMA-HZPDHXFCSA-N 2 1 352.479 0.235 10 30 FCEEMP CN(C)C(=O)CNC(NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)=[NH+]C[C@H]1CCOC1 ZINC000262251325 229300288 /nfs/dbraw/zinc/30/02/88/229300288.db2.gz BWVRUFPFIUFEBM-MGNMYUMUSA-N 2 1 365.522 0.662 10 30 FCEEMP C=CC[C@]1(C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)CCC[NH2+]1 ZINC000662755389 493539075 /nfs/dbraw/zinc/53/90/75/493539075.db2.gz ADXPUUUCAKGJBU-LJQANCHMSA-N 2 1 358.490 0.803 10 30 FCEEMP CC[NH+]=C(NC[C@@H]1CCC[N@H+]1C)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000261791237 528809992 /nfs/dbraw/zinc/80/99/92/528809992.db2.gz QJZGBKWDJDPNBU-KBXCAEBGSA-N 2 1 364.494 0.356 10 30 FCEEMP CC[NH+]=C(NC[C@]1([NH+](C)C)CCSC1)N[C@@H]1CCc2ncnn2C1 ZINC000262768711 528815660 /nfs/dbraw/zinc/81/56/60/528815660.db2.gz IEEZWNJUSRFUET-CZUORRHYSA-N 2 1 351.524 0.585 10 30 FCEEMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCCCN1S(=O)(=O)N(C)C ZINC000262268049 529072943 /nfs/dbraw/zinc/07/29/43/529072943.db2.gz HTJVVXQQGZENLV-HUUCEWRRSA-N 2 1 374.555 0.036 10 30 FCEEMP C[C@@H](CN1CCOCC1)[NH+](C)CC#CC[N@H+](C)[C@@H](C)CN1CCOCC1 ZINC000551739009 1193869335 /nfs/dbraw/zinc/86/93/35/1193869335.db2.gz PHWNLFGDXODACO-PMACEKPBSA-N 2 1 366.550 0.295 10 30 FCEEMP C=C1[C@H](C(=O)N2CC[C@@H]3C[NH+](C)C[C@@H]32)[C@@H]1C(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC000908350462 1195739717 /nfs/dbraw/zinc/73/97/17/1195739717.db2.gz ZENYDDRDOBFKCZ-MULDDASSSA-N 2 1 358.486 0.114 10 30 FCEEMP C=C1[C@H](C(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)[C@@H]1C(=O)N1CC[C@H]2C[NH+](C)C[C@@H]21 ZINC000908350462 1195739720 /nfs/dbraw/zinc/73/97/20/1195739720.db2.gz ZENYDDRDOBFKCZ-MULDDASSSA-N 2 1 358.486 0.114 10 30 FCEEMP C=C1[C@H](C(=O)N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)[C@@H]1C(=O)N1CC[C@H]2C[NH+](C)C[C@@H]21 ZINC000908350462 1195739729 /nfs/dbraw/zinc/73/97/29/1195739729.db2.gz ZENYDDRDOBFKCZ-MULDDASSSA-N 2 1 358.486 0.114 10 30 FCEEMP CCN(CCC#N)C(=O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001488540003 1208533454 /nfs/dbraw/zinc/53/34/54/1208533454.db2.gz HOMQBBCTKOWOFO-HZPDHXFCSA-N 2 1 351.495 0.525 10 30 FCEEMP C=CCNC(=O)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001490596241 1209382981 /nfs/dbraw/zinc/38/29/81/1209382981.db2.gz VLSPKWDIPGFQGN-BBWFWOEESA-N 2 1 362.518 0.990 10 30 FCEEMP COCC[N@H+]1CCC[C@H]1CNC(=[NH2+])N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000303986396 1213450460 /nfs/dbraw/zinc/45/04/60/1213450460.db2.gz UKGFFPZFVUYUTN-HNNXBMFYSA-N 2 1 369.510 0.965 10 30 FCEEMP C=C(C)Cn1c(C2=[NH+]O[C@H](CO)C2)nnc1N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC001122591774 1222283329 /nfs/dbraw/zinc/28/33/29/1222283329.db2.gz SSBRYLUWISWRSY-YCPHGPKFSA-N 2 1 360.462 0.870 10 30 FCEEMP CC[C@@H]1[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc2ccc(C#N)cc2F)CC[N@@H+]1C ZINC001331712361 1266269949 /nfs/dbraw/zinc/26/99/49/1266269949.db2.gz OBESDULDJVYBSD-SOLBZPMBSA-N 2 1 362.449 0.994 10 30 FCEEMP CC[C@@H]1[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc2ccc(C#N)cc2F)CC[N@H+]1C ZINC001331712361 1266269960 /nfs/dbraw/zinc/26/99/60/1266269960.db2.gz OBESDULDJVYBSD-SOLBZPMBSA-N 2 1 362.449 0.994 10 30 FCEEMP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001265446628 1260413779 /nfs/dbraw/zinc/41/37/79/1260413779.db2.gz LKKAUHDRYKZWCN-OTWHNJEPSA-N 2 1 368.481 0.272 10 30 FCEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)C1CCC1)C2 ZINC001522163258 1266385640 /nfs/dbraw/zinc/38/56/40/1266385640.db2.gz HPOMIMIJIJEHGC-XWSJACJDSA-N 2 1 372.513 0.816 10 30 FCEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)C1CCC1)C2 ZINC001522163258 1266385651 /nfs/dbraw/zinc/38/56/51/1266385651.db2.gz HPOMIMIJIJEHGC-XWSJACJDSA-N 2 1 372.513 0.816 10 30 FCEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)C1CCC1)C2 ZINC001522163258 1266385662 /nfs/dbraw/zinc/38/56/62/1266385662.db2.gz HPOMIMIJIJEHGC-XWSJACJDSA-N 2 1 372.513 0.816 10 30 FCEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)C1CCC1)C2 ZINC001522163258 1266385675 /nfs/dbraw/zinc/38/56/75/1266385675.db2.gz HPOMIMIJIJEHGC-XWSJACJDSA-N 2 1 372.513 0.816 10 30 FCEEMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCCC[NH+]2CC(=O)NCC#N)CC[N@@H+]1C ZINC001282664975 1261575347 /nfs/dbraw/zinc/57/53/47/1261575347.db2.gz CRABBQQTPLFYRY-IXDOHACOSA-N 2 1 363.506 0.717 10 30 FCEEMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCCC[NH+]2CC(=O)NCC#N)CC[N@H+]1C ZINC001282664975 1261575352 /nfs/dbraw/zinc/57/53/52/1261575352.db2.gz CRABBQQTPLFYRY-IXDOHACOSA-N 2 1 363.506 0.717 10 30 FCEEMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCCC[N@@H+]2CC(=O)NCC#N)CC[NH+]1C ZINC001282664975 1261575356 /nfs/dbraw/zinc/57/53/56/1261575356.db2.gz CRABBQQTPLFYRY-IXDOHACOSA-N 2 1 363.506 0.717 10 30 FCEEMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCCC[N@H+]2CC(=O)NCC#N)CC[NH+]1C ZINC001282664975 1261575359 /nfs/dbraw/zinc/57/53/59/1261575359.db2.gz CRABBQQTPLFYRY-IXDOHACOSA-N 2 1 363.506 0.717 10 30 FCEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](CC)CC)C2 ZINC001291872323 1262602186 /nfs/dbraw/zinc/60/21/86/1262602186.db2.gz DLHCGBKYBVWSOL-OWSLCNJRSA-N 2 1 360.502 0.674 10 30 FCEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](CC)CC)C2 ZINC001291872323 1262602192 /nfs/dbraw/zinc/60/21/92/1262602192.db2.gz DLHCGBKYBVWSOL-OWSLCNJRSA-N 2 1 360.502 0.674 10 30 FCEEMP C#CCN1CCC[C@H]1C(=O)N(C)CCN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001298080878 1262909024 /nfs/dbraw/zinc/90/90/24/1262909024.db2.gz JKEDYASWXJNEMA-KSZLIROESA-N 2 1 362.518 0.731 10 30 FCEEMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001298080878 1262909029 /nfs/dbraw/zinc/90/90/29/1262909029.db2.gz JKEDYASWXJNEMA-KSZLIROESA-N 2 1 362.518 0.731 10 30 FCEEMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CCN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001298080878 1262909034 /nfs/dbraw/zinc/90/90/34/1262909034.db2.gz JKEDYASWXJNEMA-KSZLIROESA-N 2 1 362.518 0.731 10 30 FCEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCN(C)C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001298080878 1262909038 /nfs/dbraw/zinc/90/90/38/1262909038.db2.gz JKEDYASWXJNEMA-KSZLIROESA-N 2 1 362.518 0.731 10 30 FCEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCN(C)C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001298080878 1262909043 /nfs/dbraw/zinc/90/90/43/1262909043.db2.gz JKEDYASWXJNEMA-KSZLIROESA-N 2 1 362.518 0.731 10 30 FCEEMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001479468087 1263210792 /nfs/dbraw/zinc/21/07/92/1263210792.db2.gz GCRBJYFOWSKMQF-GVDBMIGSSA-N 2 1 363.506 0.623 10 30 FCEEMP CC[N@@H+](C)CCC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CC#CCOC)C1 ZINC001479509910 1263235829 /nfs/dbraw/zinc/23/58/29/1263235829.db2.gz GEXKKVWIXVYIFT-ZWKOTPCHSA-N 2 1 361.490 0.296 10 30 FCEEMP C#CCNC(=O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001316704304 1263429433 /nfs/dbraw/zinc/42/94/33/1263429433.db2.gz MYFJNNOZSYJLGL-SJORKVTESA-N 2 1 364.534 0.930 10 30 FCEEMP C=CCNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001480541320 1263434036 /nfs/dbraw/zinc/43/40/36/1263434036.db2.gz WIXVLLFTAFEGMX-JQHSSLGASA-N 2 1 358.486 0.728 10 30 FCEEMP C=CCOCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C[C@@H]2C1 ZINC001316759187 1263464875 /nfs/dbraw/zinc/46/48/75/1263464875.db2.gz BUAMPVLMALQCJW-OTWHNJEPSA-N 2 1 365.518 0.938 10 30 FCEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001497476179 1263935091 /nfs/dbraw/zinc/93/50/91/1263935091.db2.gz VWHAIKXTIRXYTR-NXHRZFHOSA-N 2 1 360.502 0.531 10 30 FCEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001497476179 1263935099 /nfs/dbraw/zinc/93/50/99/1263935099.db2.gz VWHAIKXTIRXYTR-NXHRZFHOSA-N 2 1 360.502 0.531 10 30 FCEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C1CC1 ZINC001497476179 1263935103 /nfs/dbraw/zinc/93/51/03/1263935103.db2.gz VWHAIKXTIRXYTR-NXHRZFHOSA-N 2 1 360.502 0.531 10 30 FCEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C1CC1 ZINC001497476179 1263935111 /nfs/dbraw/zinc/93/51/11/1263935111.db2.gz VWHAIKXTIRXYTR-NXHRZFHOSA-N 2 1 360.502 0.531 10 30 FCEEMP C#CC[NH+]1CCC(C(=O)NC/C=C/CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001501877806 1264148856 /nfs/dbraw/zinc/14/88/56/1264148856.db2.gz VBNPAAJECYJBEB-WXFDERKXSA-N 2 1 360.502 0.460 10 30 FCEEMP C[C@@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)[NH+](C)CC(=O)NCC#N ZINC001506006536 1264287186 /nfs/dbraw/zinc/28/71/86/1264287186.db2.gz YZNQIANAAZTCHG-JQHSSLGASA-N 2 1 371.485 0.408 10 30 FCEEMP C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)[NH+](C)CC(=O)NCC#N ZINC001506006536 1264287191 /nfs/dbraw/zinc/28/71/91/1264287191.db2.gz YZNQIANAAZTCHG-JQHSSLGASA-N 2 1 371.485 0.408 10 30 FCEEMP C[C@@H](CNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1)[N@H+](C)CC(=O)NCC#N ZINC001506006536 1264287197 /nfs/dbraw/zinc/28/71/97/1264287197.db2.gz YZNQIANAAZTCHG-JQHSSLGASA-N 2 1 371.485 0.408 10 30 FCEEMP C[C@@H](CNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1)[N@@H+](C)CC(=O)NCC#N ZINC001506006536 1264287205 /nfs/dbraw/zinc/28/72/05/1264287205.db2.gz YZNQIANAAZTCHG-JQHSSLGASA-N 2 1 371.485 0.408 10 30 FCEEMP C[C@H](CN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)[NH2+]CC(=O)NCC#N ZINC001507124615 1264352898 /nfs/dbraw/zinc/35/28/98/1264352898.db2.gz MTAVFCPRGDRRGK-NXHRZFHOSA-N 2 1 371.485 0.408 10 30 FCEEMP C=CCNC(=O)C[NH+]1CCC(C2(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)CC1 ZINC001333180397 1266548580 /nfs/dbraw/zinc/54/85/80/1266548580.db2.gz FXVDMUIWNWTNER-NVXWUHKLSA-N 2 1 362.518 0.990 10 30 FCEEMP C#CCNC(=O)C[N@H+]1CC[C@H](N(CCC)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001713716697 1287293051 /nfs/dbraw/zinc/29/30/51/1287293051.db2.gz VAVCNJBSFKLYRY-OKZBNKHCSA-N 2 1 362.518 0.779 10 30 FCEEMP C#CCNC(=O)C[N@@H+]1CC[C@H](N(CCC)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001713716697 1287293052 /nfs/dbraw/zinc/29/30/52/1287293052.db2.gz VAVCNJBSFKLYRY-OKZBNKHCSA-N 2 1 362.518 0.779 10 30 FCEEMP C#CCNC(=O)C[NH+]1CC[C@H](N(CCC)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001713716697 1287293053 /nfs/dbraw/zinc/29/30/53/1287293053.db2.gz VAVCNJBSFKLYRY-OKZBNKHCSA-N 2 1 362.518 0.779 10 30 FCEEMP C#CCNC(=O)C[NH+]1CC[C@H](N(CCC)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001713716697 1287293054 /nfs/dbraw/zinc/29/30/54/1287293054.db2.gz VAVCNJBSFKLYRY-OKZBNKHCSA-N 2 1 362.518 0.779 10 30 FCEEMP C#CCNC(=O)[C@H](C)[N@@H+](C)CC1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001713764199 1287296143 /nfs/dbraw/zinc/29/61/43/1287296143.db2.gz SYKJXFGWHCQVJQ-SOLBZPMBSA-N 2 1 362.518 0.635 10 30 FCEEMP C#CCNC(=O)[C@H](C)[NH+](C)CC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001713764199 1287296145 /nfs/dbraw/zinc/29/61/45/1287296145.db2.gz SYKJXFGWHCQVJQ-SOLBZPMBSA-N 2 1 362.518 0.635 10 30 FCEEMP C#CCNC(=O)[C@H](C)[NH+](C)CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001713764199 1287296148 /nfs/dbraw/zinc/29/61/48/1287296148.db2.gz SYKJXFGWHCQVJQ-SOLBZPMBSA-N 2 1 362.518 0.635 10 30 FCEEMP C#CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC[NH+]([C@@H]2CCN(C)C2=O)CC1 ZINC001716805927 1287389856 /nfs/dbraw/zinc/38/98/56/1287389856.db2.gz GTXMPGQATOVCNF-KBAYOESNSA-N 2 1 360.502 0.484 10 30 FCEEMP C#CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001716997998 1287400337 /nfs/dbraw/zinc/40/03/37/1287400337.db2.gz DNEBKHNVOWNYJE-UYTYNIKBSA-N 2 1 360.502 0.435 10 30 FCEEMP C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001716997998 1287400341 /nfs/dbraw/zinc/40/03/41/1287400341.db2.gz DNEBKHNVOWNYJE-UYTYNIKBSA-N 2 1 360.502 0.435 10 30 FCEEMP C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001716997998 1287400346 /nfs/dbraw/zinc/40/03/46/1287400346.db2.gz DNEBKHNVOWNYJE-UYTYNIKBSA-N 2 1 360.502 0.435 10 30 FCEEMP C[C@@H]1[C@H](C(=O)N(CCO)CC[NH2+]Cc2cc(C#N)ccc2F)CC[N@H+]1C ZINC001717050735 1287404926 /nfs/dbraw/zinc/40/49/26/1287404926.db2.gz GWXPMULAKJXYQS-RHSMWYFYSA-N 2 1 362.449 0.948 10 30 FCEEMP C#CCNC(=O)C[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001707097265 1286439421 /nfs/dbraw/zinc/43/94/21/1286439421.db2.gz SVGQNXZOILUCIC-RBUKOAKNSA-N 2 1 370.497 0.662 10 30 FCEEMP C#CCNC(=O)C[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001707097265 1286439427 /nfs/dbraw/zinc/43/94/27/1286439427.db2.gz SVGQNXZOILUCIC-RBUKOAKNSA-N 2 1 370.497 0.662 10 30 FCEEMP C#CCNC(=O)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001707097265 1286439430 /nfs/dbraw/zinc/43/94/30/1286439430.db2.gz SVGQNXZOILUCIC-RBUKOAKNSA-N 2 1 370.497 0.662 10 30 FCEEMP C#CCNC(=O)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001707097265 1286439435 /nfs/dbraw/zinc/43/94/35/1286439435.db2.gz SVGQNXZOILUCIC-RBUKOAKNSA-N 2 1 370.497 0.662 10 30 FCEEMP C#CCNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001707115286 1286452952 /nfs/dbraw/zinc/45/29/52/1286452952.db2.gz GEEBLEGRCJOZTN-KSZLIROESA-N 2 1 362.518 0.873 10 30 FCEEMP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)C[C@H]1OCC ZINC001707150922 1286474339 /nfs/dbraw/zinc/47/43/39/1286474339.db2.gz UZERGNMPILYGQG-BZUAXINKSA-N 2 1 359.898 0.913 10 30 FCEEMP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C[C@H]1OCC ZINC001707150922 1286474347 /nfs/dbraw/zinc/47/43/47/1286474347.db2.gz UZERGNMPILYGQG-BZUAXINKSA-N 2 1 359.898 0.913 10 30 FCEEMP C#CCNC(=O)C[NH2+]CCN(CC)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001732798853 1288595348 /nfs/dbraw/zinc/59/53/48/1288595348.db2.gz XVHWRYXEFMCVKB-MOPGFXCFSA-N 2 1 370.497 0.519 10 30 FCEEMP C#CCNC(=O)[C@@H](C)[NH2+]CC1(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCCC1 ZINC001734088270 1288641876 /nfs/dbraw/zinc/64/18/76/1288641876.db2.gz NZPPLFPSWVMNTD-BRWVUGGUSA-N 2 1 362.518 0.873 10 30 FCEEMP C=CCNC(=O)C[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001734583819 1288660502 /nfs/dbraw/zinc/66/05/02/1288660502.db2.gz CKQCJCHKNJMWKS-ZMSDIMECSA-N 2 1 350.507 0.846 10 30 FCEEMP C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)[C@H]1CC ZINC001656720928 1291557040 /nfs/dbraw/zinc/55/70/40/1291557040.db2.gz YIFPUMLFXNEQOQ-RCCFBDPRSA-N 2 1 362.518 0.825 10 30 FCEEMP C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)[C@H]1CC ZINC001656720928 1291557047 /nfs/dbraw/zinc/55/70/47/1291557047.db2.gz YIFPUMLFXNEQOQ-RCCFBDPRSA-N 2 1 362.518 0.825 10 30 FCEEMP C#CCNC(=O)C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)[C@H]1CC ZINC001656720928 1291557054 /nfs/dbraw/zinc/55/70/54/1291557054.db2.gz YIFPUMLFXNEQOQ-RCCFBDPRSA-N 2 1 362.518 0.825 10 30 FCEEMP C#CCNC(=O)C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)[C@H]1CC ZINC001656720928 1291557062 /nfs/dbraw/zinc/55/70/62/1291557062.db2.gz YIFPUMLFXNEQOQ-RCCFBDPRSA-N 2 1 362.518 0.825 10 30 FCEEMP C#CCNC(=O)C[NH2+][C@H](CC)CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001665849658 1291885168 /nfs/dbraw/zinc/88/51/68/1291885168.db2.gz DMKMCHPNZRLZRR-QRVBRYPASA-N 2 1 370.497 0.566 10 30 FCEEMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc2ccc(C#N)s2)CC[N@H+]1C ZINC001676535239 1292206391 /nfs/dbraw/zinc/20/63/91/1292206391.db2.gz JESBMAMBFXEHHI-VBNZEHGJSA-N 2 1 350.488 0.917 10 30 FCEEMP C=C[C@@H]1OCC[C@H]1C(=O)N1CC[NH+](CCCNC(=O)CC[NH+](C)C)CC1 ZINC001687872885 1293021765 /nfs/dbraw/zinc/02/17/65/1293021765.db2.gz QHVDJXPFLVFISF-SJORKVTESA-N 2 1 366.506 0.180 10 30 FCEEMP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1OCC ZINC001264535144 859377463 /nfs/dbraw/zinc/37/74/63/859377463.db2.gz VTCGERCEAOFQQD-HZPDHXFCSA-N 2 1 359.898 0.914 10 30 FCEEMP C=CCNC(=O)C[NH+]1CC[C@H](CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001267559013 859508538 /nfs/dbraw/zinc/50/85/38/859508538.db2.gz LUCKMXBXFOFNCG-YESZJQIVSA-N 2 1 350.507 0.847 10 30 FCEEMP C=CCNC(=O)C[N@H+]1CC[C@H](CCNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001267559013 859508546 /nfs/dbraw/zinc/50/85/46/859508546.db2.gz LUCKMXBXFOFNCG-YESZJQIVSA-N 2 1 350.507 0.847 10 30 FCEEMP C=CCNC(=O)C[N@@H+]1CC[C@H](CCNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001267559013 859508557 /nfs/dbraw/zinc/50/85/57/859508557.db2.gz LUCKMXBXFOFNCG-YESZJQIVSA-N 2 1 350.507 0.847 10 30 FCEEMP C=CCNC(=O)C[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001280050342 863218625 /nfs/dbraw/zinc/21/86/25/863218625.db2.gz CSCFTONVQVVOSP-YESZJQIVSA-N 2 1 350.507 0.847 10 30 FCEEMP CCO[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C[NH2+]CC#CCOC ZINC001316686659 867397456 /nfs/dbraw/zinc/39/74/56/867397456.db2.gz OIYMWVLCPUBPGM-SJLPKXTDSA-N 2 1 351.491 0.574 10 30 FCEEMP CCN(CCC#N)C(=O)C[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001322161216 868748386 /nfs/dbraw/zinc/74/83/86/868748386.db2.gz RRJGIPBXVMQDHU-ARFHVFGLSA-N 2 1 351.495 0.525 10 30 FCEEMP CCN(CCC#N)C(=O)C[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001322161216 868748393 /nfs/dbraw/zinc/74/83/93/868748393.db2.gz RRJGIPBXVMQDHU-ARFHVFGLSA-N 2 1 351.495 0.525 10 30 FCEEMP CCN(CCC#N)C(=O)C[NH+](C)C[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001322161216 868748398 /nfs/dbraw/zinc/74/83/98/868748398.db2.gz RRJGIPBXVMQDHU-ARFHVFGLSA-N 2 1 351.495 0.525 10 30 FCEEMP CCN(CCC#N)C(=O)C[NH+](C)C[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001322161216 868748404 /nfs/dbraw/zinc/74/84/04/868748404.db2.gz RRJGIPBXVMQDHU-ARFHVFGLSA-N 2 1 351.495 0.525 10 30 FCEEMP C[C@H](C(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1)n1cnc(C#N)n1 ZINC000619595066 492270712 /nfs/dbraw/zinc/27/07/12/492270712.db2.gz JRCQNLFTGDEZCO-OAHLLOKOSA-N 2 1 359.478 0.777 10 30 FCEEMP C[NH+]=C(NCC[N@H+]1CCCC[C@@H]1C)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261771553 526355932 /nfs/dbraw/zinc/35/59/32/526355932.db2.gz PGYZHEFNNCJSRM-HNNXBMFYSA-N 2 1 361.494 0.519 10 30 FCEEMP C[NH+]=C(NCC[N@H+]1CCCC[C@@H]1C)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000262599601 526356274 /nfs/dbraw/zinc/35/62/74/526356274.db2.gz YEPONAIHMXMXLE-DLBZAZTESA-N 2 1 365.522 0.759 10 30 FCEEMP C[NH+]=C(NC[C@](C)(O)C[NH+]1CCOCC1)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000261686003 526378637 /nfs/dbraw/zinc/37/86/37/526378637.db2.gz RCNVAAHFLOLVCI-LHHMISFZSA-N 2 1 366.506 0.192 10 30 FCEEMP C[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)N[C@H]1CC(=O)N(c2cccc(OC)c2)C1 ZINC000262972581 526413456 /nfs/dbraw/zinc/41/34/56/526413456.db2.gz SBZQCQNWIYCRRN-GJZGRUSLSA-N 2 1 359.474 0.917 10 30 FCEEMP CC[NH+]=C(NCCN1CCC[N@@H+](C)CC1)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000261735221 528805126 /nfs/dbraw/zinc/80/51/26/528805126.db2.gz JWLZCKUVMUISBU-LJQANCHMSA-N 2 1 364.538 0.192 10 30 FCEEMP CC[NH+]=C(NC[C@]1([NH+](C)C)CCSC1)N1CC[C@H](N2CCOCC2)C1 ZINC000262801517 528816291 /nfs/dbraw/zinc/81/62/91/528816291.db2.gz RBTYSXQGWFRVMQ-FUHWJXTLSA-N 2 1 369.579 0.796 10 30 FCEEMP C#CCN1CCN(C(=O)C[N@@H+](CCOC)CC2CC[NH+](C)CC2)CC1 ZINC000879125159 673100423 /nfs/dbraw/zinc/10/04/23/673100423.db2.gz ROBTURHSNDOEKI-UHFFFAOYSA-N 2 1 350.507 0.054 10 30 FCEEMP C#CCC[NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001772515086 1168426478 /nfs/dbraw/zinc/42/64/78/1168426478.db2.gz WVYAAKMATHUTSN-FGTMMUONSA-N 2 1 362.518 0.684 10 30 FCEEMP C#CCNC(=O)C[NH2+][C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)c1ccccc1 ZINC001267362606 1179993445 /nfs/dbraw/zinc/99/34/45/1179993445.db2.gz SVIDIVXTRDZYEC-IPMKNSEASA-N 2 1 370.497 0.913 10 30 FCEEMP C#CCNC(=O)C[NH2+][C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)c1ccccc1 ZINC001267362606 1179993452 /nfs/dbraw/zinc/99/34/52/1179993452.db2.gz SVIDIVXTRDZYEC-IPMKNSEASA-N 2 1 370.497 0.913 10 30 FCEEMP C#CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC[NH+](CCn2cncn2)CC1 ZINC001270314991 1188091179 /nfs/dbraw/zinc/09/11/79/1188091179.db2.gz BZYFKQRAMRXWCS-SJLPKXTDSA-N 2 1 358.490 0.545 10 30 FCEEMP O=C1C[C@@]2(CN1)CCC[NH+](CC#CC[N@@H+]1CCC[C@]3(CNC(=O)C3)C1)C2 ZINC000551393748 1193854943 /nfs/dbraw/zinc/85/49/43/1193854943.db2.gz OBLZAJBSRBMPRY-BGYRXZFFSA-N 2 1 358.486 0.194 10 30 FCEEMP O=C1C[C@@]2(CN1)CCC[N@@H+](CC#CC[NH+]1CCC[C@]3(CNC(=O)C3)C1)C2 ZINC000551393748 1193854946 /nfs/dbraw/zinc/85/49/46/1193854946.db2.gz OBLZAJBSRBMPRY-BGYRXZFFSA-N 2 1 358.486 0.194 10 30 FCEEMP O=C1C[C@@]2(CN1)CCC[N@H+](CC#CC[NH+]1CCC[C@]3(CNC(=O)C3)C1)C2 ZINC000551393748 1193854949 /nfs/dbraw/zinc/85/49/49/1193854949.db2.gz OBLZAJBSRBMPRY-BGYRXZFFSA-N 2 1 358.486 0.194 10 30 FCEEMP N#CCCCC[C@H]([NH3+])C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000594437946 1196721752 /nfs/dbraw/zinc/72/17/52/1196721752.db2.gz GBEWJNFPMXSGIP-INIZCTEOSA-N 2 1 359.478 0.516 10 30 FCEEMP C=CCNC(=O)[C@@H](C)[NH+]1CC[C@@H]2CN(C(=O)CC[N@H+](C)CC)C[C@@H]2C1 ZINC001489204819 1208667239 /nfs/dbraw/zinc/66/72/39/1208667239.db2.gz CWBLLCFDLFDMNP-ZACQAIPSSA-N 2 1 350.507 0.799 10 30 FCEEMP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)CC)C[C@@H]2C1 ZINC001489204819 1208667242 /nfs/dbraw/zinc/66/72/42/1208667242.db2.gz CWBLLCFDLFDMNP-ZACQAIPSSA-N 2 1 350.507 0.799 10 30 FCEEMP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)CC)C[C@@H]2C1 ZINC001489204819 1208667246 /nfs/dbraw/zinc/66/72/46/1208667246.db2.gz CWBLLCFDLFDMNP-ZACQAIPSSA-N 2 1 350.507 0.799 10 30 FCEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001490634743 1209396246 /nfs/dbraw/zinc/39/62/46/1209396246.db2.gz RLGVAHRFVYWQNK-BCYZHJNNSA-N 2 1 374.529 0.918 10 30 FCEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001490634743 1209396248 /nfs/dbraw/zinc/39/62/48/1209396248.db2.gz RLGVAHRFVYWQNK-BCYZHJNNSA-N 2 1 374.529 0.918 10 30 FCEEMP C[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)[C@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001264558714 1260380673 /nfs/dbraw/zinc/38/06/73/1260380673.db2.gz YNTYXTSRMBTESA-QZWWFDLISA-N 2 1 363.506 0.573 10 30 FCEEMP C#CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001273027179 1260568317 /nfs/dbraw/zinc/56/83/17/1260568317.db2.gz PKEWNWLWFNXIHJ-UHOSZYNNSA-N 2 1 370.497 0.566 10 30 FCEEMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CC[N@H+](C)CC)CC1 ZINC001291896929 1262607225 /nfs/dbraw/zinc/60/72/25/1262607225.db2.gz KIEHZNLQSWQHOW-QYZOEREBSA-N 2 1 374.529 0.922 10 30 FCEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+](C)C1CCC1)C2 ZINC001292136578 1262651221 /nfs/dbraw/zinc/65/12/21/1262651221.db2.gz HPOMIMIJIJEHGC-YRXWBPOGSA-N 2 1 372.513 0.816 10 30 FCEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+](C)C1CCC1)C2 ZINC001292136578 1262651230 /nfs/dbraw/zinc/65/12/30/1262651230.db2.gz HPOMIMIJIJEHGC-YRXWBPOGSA-N 2 1 372.513 0.816 10 30 FCEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)C1CCC1)C2 ZINC001292136578 1262651239 /nfs/dbraw/zinc/65/12/39/1262651239.db2.gz HPOMIMIJIJEHGC-YRXWBPOGSA-N 2 1 372.513 0.816 10 30 FCEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)C1CCC1)C2 ZINC001292136578 1262651249 /nfs/dbraw/zinc/65/12/49/1262651249.db2.gz HPOMIMIJIJEHGC-YRXWBPOGSA-N 2 1 372.513 0.816 10 30 FCEEMP C=CCN1CC[C@@H]([NH2+]CCN(CC)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1=O ZINC001497383843 1263928250 /nfs/dbraw/zinc/92/82/50/1263928250.db2.gz NZYKHDGAUUWPQY-GVDBMIGSSA-N 2 1 350.507 0.942 10 30 FCEEMP C#CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C1CC[NH+](CC(=O)NCC)CC1 ZINC001500037886 1264054671 /nfs/dbraw/zinc/05/46/71/1264054671.db2.gz OQRACHAGSUWMMI-ZWKOTPCHSA-N 2 1 362.518 0.779 10 30 FCEEMP C#CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C1CC[NH+](CC(=O)NCC)CC1 ZINC001500037886 1264054680 /nfs/dbraw/zinc/05/46/80/1264054680.db2.gz OQRACHAGSUWMMI-ZWKOTPCHSA-N 2 1 362.518 0.779 10 30 FCEEMP C[C@@H]([NH2+]CC(=O)NCC#N)c1ccc(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1 ZINC001570030900 1269832785 /nfs/dbraw/zinc/83/27/85/1269832785.db2.gz DNUNCTPMNZIRQR-IIDMSEBBSA-N 2 1 371.485 0.933 10 30 FCEEMP C[C@@H]1[C@H](C(=O)N[C@H](C[NH2+]CC(=O)NCC#N)C2CCCCC2)CC[N@H+]1C ZINC001714975217 1287340657 /nfs/dbraw/zinc/34/06/57/1287340657.db2.gz KLPSTXRZDAPJJQ-DJIMGWMZSA-N 2 1 363.506 0.621 10 30 FCEEMP C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001716453402 1287380957 /nfs/dbraw/zinc/38/09/57/1287380957.db2.gz QDUHAKYPTUIKAE-JQHSSLGASA-N 2 1 356.470 0.176 10 30 FCEEMP C#CCNC(=O)[C@@H](C)[NH+]1CC=C(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001718020891 1287452500 /nfs/dbraw/zinc/45/25/00/1287452500.db2.gz AGNNQGNLSSMAHH-BPQIPLTHSA-N 2 1 360.502 0.603 10 30 FCEEMP C#CCNC(=O)[C@@H](C)[NH+]1CC=C(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001718020891 1287452506 /nfs/dbraw/zinc/45/25/06/1287452506.db2.gz AGNNQGNLSSMAHH-BPQIPLTHSA-N 2 1 360.502 0.603 10 30 FCEEMP C#CCNC(=O)[C@@H](C)[N@@H+]1CC=C(CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001718020891 1287452509 /nfs/dbraw/zinc/45/25/09/1287452509.db2.gz AGNNQGNLSSMAHH-BPQIPLTHSA-N 2 1 360.502 0.603 10 30 FCEEMP C#CCNC(=O)[C@@H](C)[N@H+]1CC=C(CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001718020891 1287452513 /nfs/dbraw/zinc/45/25/13/1287452513.db2.gz AGNNQGNLSSMAHH-BPQIPLTHSA-N 2 1 360.502 0.603 10 30 FCEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)C(C)C)C2 ZINC001702917893 1285993635 /nfs/dbraw/zinc/99/36/35/1285993635.db2.gz AFBVVBGPRWMCDM-OWSLCNJRSA-N 2 1 360.502 0.672 10 30 FCEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)C(C)C)C2 ZINC001702917893 1285993645 /nfs/dbraw/zinc/99/36/45/1285993645.db2.gz AFBVVBGPRWMCDM-OWSLCNJRSA-N 2 1 360.502 0.672 10 30 FCEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)C(C)C)C2 ZINC001702917893 1285993651 /nfs/dbraw/zinc/99/36/51/1285993651.db2.gz AFBVVBGPRWMCDM-OWSLCNJRSA-N 2 1 360.502 0.672 10 30 FCEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)C(C)C)C2 ZINC001702917893 1285993658 /nfs/dbraw/zinc/99/36/58/1285993658.db2.gz AFBVVBGPRWMCDM-OWSLCNJRSA-N 2 1 360.502 0.672 10 30 FCEEMP C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1c1cnn(C)c1 ZINC001656402047 1291519224 /nfs/dbraw/zinc/51/92/24/1291519224.db2.gz ILDYLTPWWCWWTB-KSZLIROESA-N 2 1 361.490 0.601 10 30 FCEEMP C#CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@@H]2C1 ZINC001656848067 1291567347 /nfs/dbraw/zinc/56/73/47/1291567347.db2.gz VGYKOZXEIUDLST-MSOLQXFVSA-N 2 1 360.502 0.392 10 30 FCEEMP C=CCNC(=O)C[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001656889967 1291571344 /nfs/dbraw/zinc/57/13/44/1291571344.db2.gz SIMXUOHXPOSDHJ-IXDOHACOSA-N 2 1 350.507 0.990 10 30 FCEEMP C=CC[C@@]1(C(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)CCC[NH2+]1 ZINC001262045756 858765944 /nfs/dbraw/zinc/76/59/44/858765944.db2.gz AKHNMRPZEOWPFN-HKUYNNGSSA-N 2 1 350.507 0.598 10 30 FCEEMP C=CCN1CC[C@H]([NH+](C)CCCNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1=O ZINC001264987608 859450992 /nfs/dbraw/zinc/45/09/92/859450992.db2.gz DKOQIXFTWGBXPM-BBWFWOEESA-N 2 1 350.507 0.942 10 30 FCEEMP C=CCN1CC[C@H]([N@@H+](C)CCCNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1=O ZINC001264987608 859450998 /nfs/dbraw/zinc/45/09/98/859450998.db2.gz DKOQIXFTWGBXPM-BBWFWOEESA-N 2 1 350.507 0.942 10 30 FCEEMP C=CCN1CC[C@H]([N@H+](C)CCCNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1=O ZINC001264987608 859451007 /nfs/dbraw/zinc/45/10/07/859451007.db2.gz DKOQIXFTWGBXPM-BBWFWOEESA-N 2 1 350.507 0.942 10 30 FCEEMP C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@H]1CC ZINC001316738903 867434549 /nfs/dbraw/zinc/43/45/49/867434549.db2.gz VCUISUGNCPVPLI-DLBZAZTESA-N 2 1 350.507 0.990 10 30 FCEEMP C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@H]1CC ZINC001316738903 867434558 /nfs/dbraw/zinc/43/45/58/867434558.db2.gz VCUISUGNCPVPLI-DLBZAZTESA-N 2 1 350.507 0.990 10 30 FCEEMP CCc1nsc(N2CCN(C(NC[C@H]3CCC[N@H+]3C)=[NH+]C)CC2)n1 ZINC000261810961 229289514 /nfs/dbraw/zinc/28/95/14/229289514.db2.gz SNQLWTFUIHBIBG-CYBMUJFWSA-N 2 1 351.524 0.892 10 30 FCEEMP OC[C@H]1CN(CC#CC[N@H+]2CCC(F)(F)[C@H](CO)C2)CCC1(F)F ZINC000463229282 490006390 /nfs/dbraw/zinc/00/63/90/490006390.db2.gz CDLINSGRUIZCNA-OKILXGFUSA-N 2 1 352.372 0.889 10 30 FCEEMP OC[C@H]1C[N@H+](CC#CCN2CCC(F)(F)[C@H](CO)C2)CCC1(F)F ZINC000463229282 490006391 /nfs/dbraw/zinc/00/63/91/490006391.db2.gz CDLINSGRUIZCNA-OKILXGFUSA-N 2 1 352.372 0.889 10 30 FCEEMP OC[C@H]1C[N@@H+](CC#CCN2CCC(F)(F)[C@H](CO)C2)CCC1(F)F ZINC000463229282 490006392 /nfs/dbraw/zinc/00/63/92/490006392.db2.gz CDLINSGRUIZCNA-OKILXGFUSA-N 2 1 352.372 0.889 10 30 FCEEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)CNC(=O)c1ccc(C#N)cc1 ZINC000597943248 492074311 /nfs/dbraw/zinc/07/43/11/492074311.db2.gz WFCNAZVGDXFRAD-HNNXBMFYSA-N 2 1 359.474 0.676 10 30 FCEEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)CNC(=O)c1ccc(C#N)cc1 ZINC000597943248 492074313 /nfs/dbraw/zinc/07/43/13/492074313.db2.gz WFCNAZVGDXFRAD-HNNXBMFYSA-N 2 1 359.474 0.676 10 30 FCEEMP C[NH+]=C(NCCN1CCC[N@@H+](C)CC1)N1CCO[C@H](c2cnn(C)c2)C1 ZINC000153324910 526355656 /nfs/dbraw/zinc/35/56/56/526355656.db2.gz ACPNFVWOZDXDTM-KRWDZBQOSA-N 2 1 363.510 0.006 10 30 FCEEMP CC[NH+]=C(NC[C@@H]1C[N@@H+](C)CCN1C)N1CC[C@H](Oc2ccccn2)C1 ZINC000261942041 528810869 /nfs/dbraw/zinc/81/08/69/528810869.db2.gz DRVDUIPVKWFELV-SJORKVTESA-N 2 1 360.506 0.746 10 30 FCEEMP CC[NH+]=C(NC[C@@H]1C[N@@H+](C)CCN1C)N1CCO[C@@H](c2cnn(C)c2)C1 ZINC000261837315 528811854 /nfs/dbraw/zinc/81/18/54/528811854.db2.gz WGOJTUJUAUUGDC-IAGOWNOFSA-N 2 1 363.510 0.005 10 30 FCEEMP COCCN(C)CCNC(NCCC[NH+]1CCOCC1)=[NH+]C(C)(C)C ZINC000912506272 666447456 /nfs/dbraw/zinc/44/74/56/666447456.db2.gz LZKLWEQBWCUEOA-UHFFFAOYSA-N 2 1 357.543 0.621 10 30 FCEEMP CC[C@@H]1[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc2ccc(F)c(C#N)c2)CC[N@H+]1C ZINC001482731848 1192374824 /nfs/dbraw/zinc/37/48/24/1192374824.db2.gz ZUGMAIQNMODBHM-SOLBZPMBSA-N 2 1 362.449 0.994 10 30 FCEEMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(F)c(C#N)c2)CC[N@H+]1C ZINC001482731849 1192375076 /nfs/dbraw/zinc/37/50/76/1192375076.db2.gz ZUGMAIQNMODBHM-XYJFISCASA-N 2 1 362.449 0.994 10 30 FCEEMP C[C@H](CN1CCOCC1)[NH+](C)CC#CC[N@H+](C)[C@@H](C)CN1CCOCC1 ZINC000551739007 1193869384 /nfs/dbraw/zinc/86/93/84/1193869384.db2.gz PHWNLFGDXODACO-BGYRXZFFSA-N 2 1 366.550 0.295 10 30 FCEEMP C[C@H](CN1CCOCC1)[N@@H+](C)CC#CC[NH+](C)[C@@H](C)CN1CCOCC1 ZINC000551739007 1193869385 /nfs/dbraw/zinc/86/93/85/1193869385.db2.gz PHWNLFGDXODACO-BGYRXZFFSA-N 2 1 366.550 0.295 10 30 FCEEMP C[C@H](CN1CCOCC1)[N@H+](C)CC#CC[NH+](C)[C@@H](C)CN1CCOCC1 ZINC000551739007 1193869386 /nfs/dbraw/zinc/86/93/86/1193869386.db2.gz PHWNLFGDXODACO-BGYRXZFFSA-N 2 1 366.550 0.295 10 30 FCEEMP C#CCN(C(=O)C(=O)N1CC[C@H](C[N@H+](C)CCC)C1)C1CC[NH+](C)CC1 ZINC000910885822 1195857322 /nfs/dbraw/zinc/85/73/22/1195857322.db2.gz OAAYTFAVZFMFAF-QGZVFWFLSA-N 2 1 362.518 0.733 10 30 FCEEMP C#CCN(C(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1)C1CC[NH+](C)CC1 ZINC000913999033 1197196999 /nfs/dbraw/zinc/19/69/99/1197196999.db2.gz JZNXVELHDIOUJR-LJQANCHMSA-N 2 1 363.550 0.997 10 30 FCEEMP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)C#CC3CC[NH2+]CC3)cc2)CC1 ZINC000852858031 1209568095 /nfs/dbraw/zinc/56/80/95/1209568095.db2.gz NCXNNBIRVKRPQN-UHFFFAOYSA-N 2 1 368.481 0.693 10 30 FCEEMP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000867984728 1210037965 /nfs/dbraw/zinc/03/79/65/1210037965.db2.gz NZDDKVFZOMFBOV-SFHVURJKSA-N 2 1 357.458 0.223 10 30 FCEEMP C#CCN(C(=O)C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C)C1CC[NH+](C)CC1 ZINC000930742305 1211720533 /nfs/dbraw/zinc/72/05/33/1211720533.db2.gz CGNQAFUPHQKWFE-KRWDZBQOSA-N 2 1 362.518 0.779 10 30 FCEEMP COCC[N@H+]1CCC[C@@H]1CNC(=[NH2+])N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000303986397 1213450888 /nfs/dbraw/zinc/45/08/88/1213450888.db2.gz UKGFFPZFVUYUTN-OAHLLOKOSA-N 2 1 369.510 0.965 10 30 FCEEMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)N(CC)CCC#N)C2)CC[N@H+]1C ZINC001491017803 1220071000 /nfs/dbraw/zinc/07/10/00/1220071000.db2.gz AXYQCIJLSVQAMF-VVLHAWIVSA-N 2 1 363.506 0.716 10 30 FCEEMP C#CCN(C(=O)C(=O)NCCCNc1ccc(C)c[nH+]1)C1CC[NH+](C)CC1 ZINC001119676656 1221949065 /nfs/dbraw/zinc/94/90/65/1221949065.db2.gz NLOUBOHXHZYPDB-UHFFFAOYSA-N 2 1 371.485 0.864 10 30 FCEEMP C=C(C)Cn1c(C2=[NH+]O[C@H](CO)C2)nnc1N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC001122591771 1222283690 /nfs/dbraw/zinc/28/36/90/1222283690.db2.gz SSBRYLUWISWRSY-DZKIICNBSA-N 2 1 360.462 0.870 10 30 FCEEMP C#CCN(C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)C1CC[NH+](C)CC1 ZINC000917822622 1245560713 /nfs/dbraw/zinc/56/07/13/1245560713.db2.gz UCJYNDGSXRLQFP-UHFFFAOYSA-N 2 1 363.506 0.278 10 30 FCEEMP C#CCC1(O)CC[NH+](CC2(C[NH+]3CCC(O)(CC#C)CC3)COC2)CC1 ZINC001330732077 1266085783 /nfs/dbraw/zinc/08/57/83/1266085783.db2.gz KINORZRNNPZHRE-UHFFFAOYSA-N 2 1 360.498 0.703 10 30 FCEEMP C[C@]1(C#N)CCCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)C1 ZINC001332461439 1266409984 /nfs/dbraw/zinc/40/99/84/1266409984.db2.gz FPSTXSZBFXXKHG-FUHIMQAGSA-N 2 1 373.501 0.566 10 30 FCEEMP C[C@]1(C#N)CCCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)C1 ZINC001332461439 1266409986 /nfs/dbraw/zinc/40/99/86/1266409986.db2.gz FPSTXSZBFXXKHG-FUHIMQAGSA-N 2 1 373.501 0.566 10 30 FCEEMP CCO[C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@H]1C[NH2+]CC#CCOC ZINC001479542338 1263246099 /nfs/dbraw/zinc/24/60/99/1263246099.db2.gz MVIMIVMZTYZNBW-KZNAEPCWSA-N 2 1 351.491 0.431 10 30 FCEEMP C#CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C1CC[NH+]([C@H](C)C(=O)NC)CC1 ZINC001483984696 1263451642 /nfs/dbraw/zinc/45/16/42/1263451642.db2.gz VWUMZRNPXWSFBS-BPQIPLTHSA-N 2 1 362.518 0.777 10 30 FCEEMP C#CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C1CC[NH+]([C@H](C)C(=O)NC)CC1 ZINC001483984696 1263451652 /nfs/dbraw/zinc/45/16/52/1263451652.db2.gz VWUMZRNPXWSFBS-BPQIPLTHSA-N 2 1 362.518 0.777 10 30 FCEEMP C=CCNC(=O)C[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001484616156 1263479473 /nfs/dbraw/zinc/47/94/73/1263479473.db2.gz WXDKJAWVQUMEQX-IXDOHACOSA-N 2 1 350.507 0.990 10 30 FCEEMP C[N@@H+]1C[C@H](C(=O)NCCC[NH+]2CCN(CC#N)CC2)[C@@H](c2ccccc2)C1 ZINC001316962310 1263496867 /nfs/dbraw/zinc/49/68/67/1263496867.db2.gz KMVATHKLOOQRHC-UXHICEINSA-N 2 1 369.513 0.979 10 30 FCEEMP C[N@H+]1C[C@H](C(=O)NCCC[NH+]2CCN(CC#N)CC2)[C@@H](c2ccccc2)C1 ZINC001316962310 1263496872 /nfs/dbraw/zinc/49/68/72/1263496872.db2.gz KMVATHKLOOQRHC-UXHICEINSA-N 2 1 369.513 0.979 10 30 FCEEMP C#CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC[NH+](Cc2cnnn2C)CC1 ZINC001500037461 1264053468 /nfs/dbraw/zinc/05/34/68/1264053468.db2.gz HKTYJKPGUUYYTP-CRAIPNDOSA-N 2 1 358.490 0.582 10 30 FCEEMP C#CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC[NH+](Cc2cnnn2C)CC1 ZINC001500037461 1264053477 /nfs/dbraw/zinc/05/34/77/1264053477.db2.gz HKTYJKPGUUYYTP-CRAIPNDOSA-N 2 1 358.490 0.582 10 30 FCEEMP C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)CC[N@H+](C)CC)C3)CC1 ZINC001522339087 1266499634 /nfs/dbraw/zinc/49/96/34/1266499634.db2.gz QPOQQFHEWKBIQB-QRVBRYPASA-N 2 1 374.529 0.922 10 30 FCEEMP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)C[C@@H]2C1 ZINC001566044819 1269575651 /nfs/dbraw/zinc/57/56/51/1269575651.db2.gz QFHAREXVIYORKY-ZACQAIPSSA-N 2 1 362.518 0.942 10 30 FCEEMP C=CCNC(=O)[C@@H](C)[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@@H]2C1 ZINC001566044819 1269575659 /nfs/dbraw/zinc/57/56/59/1269575659.db2.gz QFHAREXVIYORKY-ZACQAIPSSA-N 2 1 362.518 0.942 10 30 FCEEMP C=CCNC(=O)[C@@H](C)[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@@H]2C1 ZINC001566044819 1269575668 /nfs/dbraw/zinc/57/56/68/1269575668.db2.gz QFHAREXVIYORKY-ZACQAIPSSA-N 2 1 362.518 0.942 10 30 FCEEMP C#CCNC(=O)C[N@H+](CC)CCNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001567345073 1269689755 /nfs/dbraw/zinc/68/97/55/1269689755.db2.gz GYINXTHNDVKIPW-MOPGFXCFSA-N 2 1 370.497 0.519 10 30 FCEEMP C#CCNC(=O)C[N@@H+](CC)CCNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001567345073 1269689762 /nfs/dbraw/zinc/68/97/62/1269689762.db2.gz GYINXTHNDVKIPW-MOPGFXCFSA-N 2 1 370.497 0.519 10 30 FCEEMP C#CCNC(=O)C[NH+](CC)CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001567345073 1269689772 /nfs/dbraw/zinc/68/97/72/1269689772.db2.gz GYINXTHNDVKIPW-MOPGFXCFSA-N 2 1 370.497 0.519 10 30 FCEEMP C#CCNC(=O)C[NH+](CC)CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001567345073 1269689782 /nfs/dbraw/zinc/68/97/82/1269689782.db2.gz GYINXTHNDVKIPW-MOPGFXCFSA-N 2 1 370.497 0.519 10 30 FCEEMP CC#CC[NH2+]CCC(=O)NC[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001571667011 1269949043 /nfs/dbraw/zinc/94/90/43/1269949043.db2.gz BLERPBQVHYHUTO-FGTMMUONSA-N 2 1 362.518 0.827 10 30 FCEEMP CCN(CCC#N)C(=O)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001714000826 1287310159 /nfs/dbraw/zinc/31/01/59/1287310159.db2.gz JRDKZZCPOWPQOF-IXDOHACOSA-N 2 1 363.506 0.621 10 30 FCEEMP CCN(CCC#N)C(=O)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001714000826 1287310163 /nfs/dbraw/zinc/31/01/63/1287310163.db2.gz JRDKZZCPOWPQOF-IXDOHACOSA-N 2 1 363.506 0.621 10 30 FCEEMP CCN(CCC#N)C(=O)C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001714000826 1287310168 /nfs/dbraw/zinc/31/01/68/1287310168.db2.gz JRDKZZCPOWPQOF-IXDOHACOSA-N 2 1 363.506 0.621 10 30 FCEEMP CCN(CCC#N)C(=O)C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001714000826 1287310169 /nfs/dbraw/zinc/31/01/69/1287310169.db2.gz JRDKZZCPOWPQOF-IXDOHACOSA-N 2 1 363.506 0.621 10 30 FCEEMP C#CCNC(=O)C[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001715142120 1287345797 /nfs/dbraw/zinc/34/57/97/1287345797.db2.gz PRIULMIYIGWPOJ-OKZBNKHCSA-N 2 1 362.518 0.684 10 30 FCEEMP CCN(CCC#N)C(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001715325277 1287350565 /nfs/dbraw/zinc/35/05/65/1287350565.db2.gz CDRZYUCASRAFAQ-BZUAXINKSA-N 2 1 351.495 0.525 10 30 FCEEMP C#CC[N@H+](C)CCCNC(=O)[C@H](CC[NH+](C)C)NC(=O)OC(C)(C)C ZINC001637962629 1282646653 /nfs/dbraw/zinc/64/66/53/1282646653.db2.gz GLVUDPISQYPLMR-HNNXBMFYSA-N 2 1 354.495 0.903 10 30 FCEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001702843613 1285937218 /nfs/dbraw/zinc/93/72/18/1285937218.db2.gz IIQNVGPFUWJMDU-KURKYZTESA-N 2 1 362.518 0.637 10 30 FCEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001702843613 1285937219 /nfs/dbraw/zinc/93/72/19/1285937219.db2.gz IIQNVGPFUWJMDU-KURKYZTESA-N 2 1 362.518 0.637 10 30 FCEEMP C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[N@H+](C)CCC ZINC001707168698 1286488646 /nfs/dbraw/zinc/48/86/46/1286488646.db2.gz RYIOQADTKBZJRV-ZACQAIPSSA-N 2 1 350.507 0.683 10 30 FCEEMP C=CCNC(=O)C[NH+](C)C1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001734268763 1288647741 /nfs/dbraw/zinc/64/77/41/1288647741.db2.gz ZWUWXCKFAORGCX-DLBZAZTESA-N 2 1 350.507 0.942 10 30 FCEEMP C=CCNC(=O)C[N@@H+](C)C1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001734268763 1288647744 /nfs/dbraw/zinc/64/77/44/1288647744.db2.gz ZWUWXCKFAORGCX-DLBZAZTESA-N 2 1 350.507 0.942 10 30 FCEEMP C=CCNC(=O)C[N@H+](C)C1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001734268763 1288647749 /nfs/dbraw/zinc/64/77/49/1288647749.db2.gz ZWUWXCKFAORGCX-DLBZAZTESA-N 2 1 350.507 0.942 10 30 FCEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1([NH+](C)C)CCC1)C2 ZINC001757733071 1290805327 /nfs/dbraw/zinc/80/53/27/1290805327.db2.gz NFQVSWUNARWVFT-OWSLCNJRSA-N 2 1 372.513 0.816 10 30 FCEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1([NH+](C)C)CCC1)C2 ZINC001757733071 1290805338 /nfs/dbraw/zinc/80/53/38/1290805338.db2.gz NFQVSWUNARWVFT-OWSLCNJRSA-N 2 1 372.513 0.816 10 30 FCEEMP C#CC[NH+]1CCC(C(=O)NCC[C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001758866691 1290843525 /nfs/dbraw/zinc/84/35/25/1290843525.db2.gz GQJURVYQPYPTCX-JFIYKMOQSA-N 2 1 362.518 0.683 10 30 FCEEMP C=C(C[NH+](C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC[NH+](CC)CC1 ZINC001648005911 1291093899 /nfs/dbraw/zinc/09/38/99/1291093899.db2.gz XDUUOCJXGRWCPF-IBGZPJMESA-N 2 1 372.513 0.996 10 30 FCEEMP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1(C)C ZINC001284297442 864552055 /nfs/dbraw/zinc/55/20/55/864552055.db2.gz UODPEPSHFDKVGZ-ARFHVFGLSA-N 2 1 350.507 0.846 10 30 FCEEMP CN1CCO[C@@H]2CCN(C(=O)NCCN3CC[N@@H+](C)C(C)(C)C3)C[C@H]21 ZINC000328876000 488945922 /nfs/dbraw/zinc/94/59/22/488945922.db2.gz KAEKWCGPFIBTDC-HZPDHXFCSA-N 2 1 353.511 0.331 10 30 FCEEMP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000329913814 489048547 /nfs/dbraw/zinc/04/85/47/489048547.db2.gz CBZIEFKNLFMGNG-ZBFHGGJFSA-N 2 1 351.495 0.479 10 30 FCEEMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000329913814 489048550 /nfs/dbraw/zinc/04/85/50/489048550.db2.gz CBZIEFKNLFMGNG-ZBFHGGJFSA-N 2 1 351.495 0.479 10 30 FCEEMP C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCN1C)N1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000261804924 526373264 /nfs/dbraw/zinc/37/32/64/526373264.db2.gz SCGJIXPAECBKLC-LSDHHAIUSA-N 2 1 353.511 0.471 10 30 FCEEMP CC[NH+]=C(NC[C@@H]1CCC[N@H+]1C)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000262590641 528809792 /nfs/dbraw/zinc/80/97/92/528809792.db2.gz UQOZAPGSKSWSRL-JKSUJKDBSA-N 2 1 351.495 0.369 10 30 FCEEMP CC[NH+]=C(NC[C@H]1CCCN1S(C)(=O)=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000261971752 528814776 /nfs/dbraw/zinc/81/47/76/528814776.db2.gz NAMZDMAOZPSYQL-BZUAXINKSA-N 2 1 373.567 0.694 10 30 FCEEMP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)CC1 ZINC000930006279 673991838 /nfs/dbraw/zinc/99/18/38/673991838.db2.gz DNDKURFPOVBOET-HOTGVXAUSA-N 2 1 366.531 0.449 10 30 FCEEMP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCC[N@H+]3CCSC[C@@H]23)CC1 ZINC000930006279 673991839 /nfs/dbraw/zinc/99/18/39/673991839.db2.gz DNDKURFPOVBOET-HOTGVXAUSA-N 2 1 366.531 0.449 10 30 FCEEMP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001719718207 1179748912 /nfs/dbraw/zinc/74/89/12/1179748912.db2.gz PEJAIYJDPZTKNT-KURKYZTESA-N 2 1 362.518 0.637 10 30 FCEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001719718207 1179748924 /nfs/dbraw/zinc/74/89/24/1179748924.db2.gz PEJAIYJDPZTKNT-KURKYZTESA-N 2 1 362.518 0.637 10 30 FCEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001719718207 1179748933 /nfs/dbraw/zinc/74/89/33/1179748933.db2.gz PEJAIYJDPZTKNT-KURKYZTESA-N 2 1 362.518 0.637 10 30 FCEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)CC[NH+](C)CC)C[C@H]1C ZINC001719718207 1179748946 /nfs/dbraw/zinc/74/89/46/1179748946.db2.gz PEJAIYJDPZTKNT-KURKYZTESA-N 2 1 362.518 0.637 10 30 FCEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)CC[NH+](C)CC)C[C@H]1C ZINC001719718207 1179748968 /nfs/dbraw/zinc/74/89/68/1179748968.db2.gz PEJAIYJDPZTKNT-KURKYZTESA-N 2 1 362.518 0.637 10 30 FCEEMP C=CCNC(=O)C[NH2+]CCN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001481283016 1183197864 /nfs/dbraw/zinc/19/78/64/1183197864.db2.gz VJECRJMMTYCDPD-MSOLQXFVSA-N 2 1 358.486 0.682 10 30 FCEEMP C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)C[C@@H]2C1 ZINC001489191698 1208654854 /nfs/dbraw/zinc/65/48/54/1208654854.db2.gz RPQBKCHFDBMVLG-ZACQAIPSSA-N 2 1 360.502 0.389 10 30 FCEEMP C#CCNC(=O)[C@@H](C)[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@@H]2C1 ZINC001489191698 1208654856 /nfs/dbraw/zinc/65/48/56/1208654856.db2.gz RPQBKCHFDBMVLG-ZACQAIPSSA-N 2 1 360.502 0.389 10 30 FCEEMP C#CCNC(=O)[C@@H](C)[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@@H]2C1 ZINC001489191698 1208654857 /nfs/dbraw/zinc/65/48/57/1208654857.db2.gz RPQBKCHFDBMVLG-ZACQAIPSSA-N 2 1 360.502 0.389 10 30 FCEEMP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000867984725 1210037973 /nfs/dbraw/zinc/03/79/73/1210037973.db2.gz NZDDKVFZOMFBOV-GOSISDBHSA-N 2 1 357.458 0.223 10 30 FCEEMP C#CCN(C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)C1CC[NH+](C)CC1 ZINC000919517367 1245605906 /nfs/dbraw/zinc/60/59/06/1245605906.db2.gz PMEKCWDKSVGZGQ-INIZCTEOSA-N 2 1 363.506 0.313 10 30 FCEEMP C=CCNC(=O)[C@H](C)[N@H+]1CCCC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001330487315 1266036487 /nfs/dbraw/zinc/03/64/87/1266036487.db2.gz WASSGXNCOKUQBL-IXDOHACOSA-N 2 1 362.518 0.942 10 30 FCEEMP C=CCNC(=O)[C@H](C)[NH+]1CCCC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001330487315 1266036496 /nfs/dbraw/zinc/03/64/96/1266036496.db2.gz WASSGXNCOKUQBL-IXDOHACOSA-N 2 1 362.518 0.942 10 30 FCEEMP C=CCNC(=O)[C@H](C)[NH+]1CCCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001330487315 1266036505 /nfs/dbraw/zinc/03/65/05/1266036505.db2.gz WASSGXNCOKUQBL-IXDOHACOSA-N 2 1 362.518 0.942 10 30 FCEEMP C#CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]2C1 ZINC001264648694 1260390491 /nfs/dbraw/zinc/39/04/91/1260390491.db2.gz ARTICLNXDAOGHD-SJORKVTESA-N 2 1 360.502 0.391 10 30 FCEEMP CCO[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1C[NH2+]CC#CCOC ZINC001479542341 1263246917 /nfs/dbraw/zinc/24/69/17/1263246917.db2.gz MVIMIVMZTYZNBW-RCCFBDPRSA-N 2 1 351.491 0.431 10 30 FCEEMP C#CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C1CC[NH+]([C@@H](C)C(=O)NC)CC1 ZINC001483984697 1263452506 /nfs/dbraw/zinc/45/25/06/1263452506.db2.gz VWUMZRNPXWSFBS-RYQLBKOJSA-N 2 1 362.518 0.777 10 30 FCEEMP C#CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C1CC[NH+]([C@@H](C)C(=O)NC)CC1 ZINC001483984697 1263452511 /nfs/dbraw/zinc/45/25/11/1263452511.db2.gz VWUMZRNPXWSFBS-RYQLBKOJSA-N 2 1 362.518 0.777 10 30 FCEEMP CC[C@@H]1[C@@H](C(=O)NCC2(C)CC[NH+](CC(=O)NCC#N)CC2)CC[N@H+]1C ZINC001484137334 1263455251 /nfs/dbraw/zinc/45/52/51/1263455251.db2.gz WRNQBZBJYRFPAC-JKSUJKDBSA-N 2 1 363.506 0.575 10 30 FCEEMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH+](CC(=O)NCC#N)CC(C)(C)C2)CC[N@H+]1C ZINC001316811005 1263491966 /nfs/dbraw/zinc/49/19/66/1263491966.db2.gz MWWOOVGKOUUVOG-OWCLPIDISA-N 2 1 363.506 0.573 10 30 FCEEMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)CC(C)(C)C2)CC[NH+]1C ZINC001316811005 1263491970 /nfs/dbraw/zinc/49/19/70/1263491970.db2.gz MWWOOVGKOUUVOG-OWCLPIDISA-N 2 1 363.506 0.573 10 30 FCEEMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)CC(C)(C)C2)CC[NH+]1C ZINC001316811005 1263491974 /nfs/dbraw/zinc/49/19/74/1263491974.db2.gz MWWOOVGKOUUVOG-OWCLPIDISA-N 2 1 363.506 0.573 10 30 FCEEMP C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001494756436 1263781420 /nfs/dbraw/zinc/78/14/20/1263781420.db2.gz VTKLMGWFVHQLPI-BRWVUGGUSA-N 2 1 350.507 0.942 10 30 FCEEMP C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001494756436 1263781431 /nfs/dbraw/zinc/78/14/31/1263781431.db2.gz VTKLMGWFVHQLPI-BRWVUGGUSA-N 2 1 350.507 0.942 10 30 FCEEMP C=C(C)CN(CC)C(=O)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001494756436 1263781442 /nfs/dbraw/zinc/78/14/42/1263781442.db2.gz VTKLMGWFVHQLPI-BRWVUGGUSA-N 2 1 350.507 0.942 10 30 FCEEMP C=C(C)CN(CC)C(=O)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001494756436 1263781449 /nfs/dbraw/zinc/78/14/49/1263781449.db2.gz VTKLMGWFVHQLPI-BRWVUGGUSA-N 2 1 350.507 0.942 10 30 FCEEMP C#CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001496170107 1263861812 /nfs/dbraw/zinc/86/18/12/1263861812.db2.gz JZPYAGJJJAJWFS-UHOSZYNNSA-N 2 1 370.497 0.518 10 30 FCEEMP C[C@@H]1[C@H](C(=O)NC[C@]2(O)CC[NH+](Cc3cccc(C#N)c3)C2)CC[N@H+]1C ZINC001500677495 1264080175 /nfs/dbraw/zinc/08/01/75/1264080175.db2.gz KKYKPJQZPLXPNS-XFQXTVEOSA-N 2 1 356.470 0.951 10 30 FCEEMP C[C@@H]1[C@H](C(=O)NC[C@]2(O)CC[N@H+](Cc3cccc(C#N)c3)C2)CC[NH+]1C ZINC001500677495 1264080180 /nfs/dbraw/zinc/08/01/80/1264080180.db2.gz KKYKPJQZPLXPNS-XFQXTVEOSA-N 2 1 356.470 0.951 10 30 FCEEMP C[C@@H]1[C@H](C(=O)NC[C@]2(O)CC[N@@H+](Cc3cccc(C#N)c3)C2)CC[NH+]1C ZINC001500677495 1264080187 /nfs/dbraw/zinc/08/01/87/1264080187.db2.gz KKYKPJQZPLXPNS-XFQXTVEOSA-N 2 1 356.470 0.951 10 30 FCEEMP C=CCOCC[NH+]1CCC(CO)(NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001505381317 1264269668 /nfs/dbraw/zinc/26/96/68/1264269668.db2.gz YIGQXJLMPRZLFL-DLBZAZTESA-N 2 1 353.507 0.862 10 30 FCEEMP C#CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2cncn2C)CC1 ZINC001327148503 1265241833 /nfs/dbraw/zinc/24/18/33/1265241833.db2.gz SMCQKJYWYVYYGA-ARFHVFGLSA-N 2 1 357.458 0.244 10 30 FCEEMP C#CC[NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2C)C[C@H]1c1cnn(C)c1 ZINC001565927209 1269523224 /nfs/dbraw/zinc/52/32/24/1269523224.db2.gz QMEGIHUIFJQZIS-ZWKOTPCHSA-N 2 1 354.458 0.923 10 30 FCEEMP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@@H]2C1 ZINC001566054263 1269587787 /nfs/dbraw/zinc/58/77/87/1269587787.db2.gz UCQAKPJWDUQPTA-UAGQMJEPSA-N 2 1 359.474 0.663 10 30 FCEEMP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@@H]2C1 ZINC001566054263 1269587793 /nfs/dbraw/zinc/58/77/93/1269587793.db2.gz UCQAKPJWDUQPTA-UAGQMJEPSA-N 2 1 359.474 0.663 10 30 FCEEMP C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@H]1C ZINC001566097552 1269600828 /nfs/dbraw/zinc/60/08/28/1269600828.db2.gz BJRGOWMMCFTSEQ-AEFFLSMTSA-N 2 1 362.518 0.969 10 30 FCEEMP C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@H]1C ZINC001566097552 1269600838 /nfs/dbraw/zinc/60/08/38/1269600838.db2.gz BJRGOWMMCFTSEQ-AEFFLSMTSA-N 2 1 362.518 0.969 10 30 FCEEMP C#CCNC(=O)C[NH+]1CC[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)[C@H]1C ZINC001566097552 1269600843 /nfs/dbraw/zinc/60/08/43/1269600843.db2.gz BJRGOWMMCFTSEQ-AEFFLSMTSA-N 2 1 362.518 0.969 10 30 FCEEMP C#CCNC(=O)C[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)[C@H]1C ZINC001566097552 1269600852 /nfs/dbraw/zinc/60/08/52/1269600852.db2.gz BJRGOWMMCFTSEQ-AEFFLSMTSA-N 2 1 362.518 0.969 10 30 FCEEMP CC[C@@H]1[C@@H](C(=O)N2CC[NH+](CCCNC(=O)[C@@H](C)C#N)CC2)CC[N@@H+]1C ZINC001577839575 1274962490 /nfs/dbraw/zinc/96/24/90/1274962490.db2.gz GNTXUYIGUNJTAJ-YESZJQIVSA-N 2 1 363.506 0.527 10 30 FCEEMP CC[C@@H]1[C@@H](C(=O)N2CC[NH+](CCCNC(=O)[C@@H](C)C#N)CC2)CC[N@H+]1C ZINC001577839575 1274962503 /nfs/dbraw/zinc/96/25/03/1274962503.db2.gz GNTXUYIGUNJTAJ-YESZJQIVSA-N 2 1 363.506 0.527 10 30 FCEEMP C[C@H](C[NH2+]CC(=O)NCC#Cc1ccccc1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001716395868 1287377613 /nfs/dbraw/zinc/37/76/13/1287377613.db2.gz VVKPBHMBSCCFQU-ZHALLVOQSA-N 2 1 370.497 0.589 10 30 FCEEMP C#CCNC(=O)C[NH2+]C[C@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C(C)(C)C ZINC001717959077 1287451535 /nfs/dbraw/zinc/45/15/35/1287451535.db2.gz LOAKYMSCYXMBLM-XHSDSOJGSA-N 2 1 350.507 0.587 10 30 FCEEMP C#CCNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CCCC1 ZINC001732393033 1288582463 /nfs/dbraw/zinc/58/24/63/1288582463.db2.gz ZGUUZFJRPBFRGP-IXDOHACOSA-N 2 1 362.518 0.873 10 30 FCEEMP C#CC[N@H+]1CCCN(C(=O)[C@@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)CC1 ZINC001628354199 1290528396 /nfs/dbraw/zinc/52/83/96/1290528396.db2.gz ADMNZQAUKWBDPI-MRXNPFEDSA-N 2 1 366.506 0.999 10 30 FCEEMP C#CC[N@@H+]1CCCN(C(=O)[C@@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)CC1 ZINC001628354199 1290528402 /nfs/dbraw/zinc/52/84/02/1290528402.db2.gz ADMNZQAUKWBDPI-MRXNPFEDSA-N 2 1 366.506 0.999 10 30 FCEEMP C#CC[N@H+]1CCCN(C(=O)CC[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC001629542438 1290605183 /nfs/dbraw/zinc/60/51/83/1290605183.db2.gz NEGDIGCDDGKZOY-UHFFFAOYSA-N 2 1 355.486 0.761 10 30 FCEEMP C#CC[N@@H+]1CCCN(C(=O)CC[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC001629542438 1290605192 /nfs/dbraw/zinc/60/51/92/1290605192.db2.gz NEGDIGCDDGKZOY-UHFFFAOYSA-N 2 1 355.486 0.761 10 30 FCEEMP C=CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@@H]2C1 ZINC001656810762 1291563484 /nfs/dbraw/zinc/56/34/84/1291563484.db2.gz XAJVGWSENYGFNM-SQNIBIBYSA-N 2 1 360.502 0.411 10 30 FCEEMP C#CCNC(=O)[C@@H](C)[NH+]1CCC(N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001660776204 1291671611 /nfs/dbraw/zinc/67/16/11/1291671611.db2.gz QHVIEEUDIPRSDJ-BPQIPLTHSA-N 2 1 362.518 0.777 10 30 FCEEMP C#CCNC(=O)[C@@H](C)[NH+]1CCC(N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001660776204 1291671615 /nfs/dbraw/zinc/67/16/15/1291671615.db2.gz QHVIEEUDIPRSDJ-BPQIPLTHSA-N 2 1 362.518 0.777 10 30 FCEEMP C=CCNC(=O)C[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001664807144 1291815204 /nfs/dbraw/zinc/81/52/04/1291815204.db2.gz RYKNGGNGQQZAEN-IXDOHACOSA-N 2 1 350.507 0.799 10 30 FCEEMP C=CCNC(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001664807144 1291815210 /nfs/dbraw/zinc/81/52/10/1291815210.db2.gz RYKNGGNGQQZAEN-IXDOHACOSA-N 2 1 350.507 0.799 10 30 FCEEMP C=CCNC(=O)C[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001664807144 1291815221 /nfs/dbraw/zinc/81/52/21/1291815221.db2.gz RYKNGGNGQQZAEN-IXDOHACOSA-N 2 1 350.507 0.799 10 30 FCEEMP C=CCNC(=O)C[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)CC1 ZINC001673008569 1292097349 /nfs/dbraw/zinc/09/73/49/1292097349.db2.gz IXADBRGPSCYAFA-DLBZAZTESA-N 2 1 362.518 0.943 10 30 FCEEMP C=CC[NH2+]CCC(=O)NC[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001677451724 1292235288 /nfs/dbraw/zinc/23/52/88/1292235288.db2.gz ICPWJKLXTWTZQR-IXDOHACOSA-N 2 1 350.507 0.990 10 30 FCEEMP C[NH+](C)CC#CCNC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC001687889430 1293026761 /nfs/dbraw/zinc/02/67/61/1293026761.db2.gz XTCIAZFEJWSBHA-MOPGFXCFSA-N 2 1 358.486 0.734 10 30 FCEEMP C=CCNC(=O)C[N@H+]1CC[C@H](N(CCC)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001317758542 867554987 /nfs/dbraw/zinc/55/49/87/867554987.db2.gz JBTSIWLWMAHPPN-IXDOHACOSA-N 2 1 350.507 0.942 10 30 FCEEMP C=CCNC(=O)C[N@@H+]1CC[C@H](N(CCC)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001317758542 867554992 /nfs/dbraw/zinc/55/49/92/867554992.db2.gz JBTSIWLWMAHPPN-IXDOHACOSA-N 2 1 350.507 0.942 10 30 FCEEMP C=CCNC(=O)C[NH+]1CC[C@H](N(CCC)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001317758542 867554997 /nfs/dbraw/zinc/55/49/97/867554997.db2.gz JBTSIWLWMAHPPN-IXDOHACOSA-N 2 1 350.507 0.942 10 30 FCEEMP C=CCNC(=O)C[NH+]1CC[C@H](N(CCC)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001317758542 867555004 /nfs/dbraw/zinc/55/50/04/867555004.db2.gz JBTSIWLWMAHPPN-IXDOHACOSA-N 2 1 350.507 0.942 10 30 FCEEMP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000329138056 488973407 /nfs/dbraw/zinc/97/34/07/488973407.db2.gz DMPGYGQDEXUPEX-SJORKVTESA-N 2 1 367.538 0.721 10 30 FCEEMP Cc1nc(C#N)c(N2CCN(C(=O)CN3CC[C@]4(CC[N@H+](C)C4)C3)CC2)o1 ZINC000366478183 489187487 /nfs/dbraw/zinc/18/74/87/489187487.db2.gz DCZHIKYKCFNZFV-IBGZPJMESA-N 2 1 372.473 0.531 10 30 FCEEMP C[C@@H]1C[N@@H+](CC#CCN2C[C@H](C)O[C@@]3(CCOC3)C2)C[C@@]2(CCOC2)O1 ZINC000367456717 489207227 /nfs/dbraw/zinc/20/72/27/489207227.db2.gz CQVVRJGHCNPVGM-FGYAAKKASA-N 2 1 364.486 0.749 10 30 FCEEMP C[C@@H]1C[N@H+](CC#CCN2C[C@H](C)O[C@@]3(CCOC3)C2)C[C@@]2(CCOC2)O1 ZINC000367456717 489207229 /nfs/dbraw/zinc/20/72/29/489207229.db2.gz CQVVRJGHCNPVGM-FGYAAKKASA-N 2 1 364.486 0.749 10 30 FCEEMP C=CC[NH+]1CCC(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](CC)C[C@H]2C)CC1 ZINC000581901116 491789805 /nfs/dbraw/zinc/78/98/05/491789805.db2.gz FTHWYBQBQJELJX-WBVHZDCISA-N 2 1 350.507 0.942 10 30 FCEEMP C[NH+]=C(NC[C@@H]1C[N@@H+](CC(C)C)CCO1)N1CC[C@@H](N2CCOCC2)C1 ZINC000248326831 526373169 /nfs/dbraw/zinc/37/31/69/526373169.db2.gz CCQXDUGNQIAZLD-QZTJIDSGSA-N 2 1 367.538 0.325 10 30 FCEEMP C[NH+]=C(NC[C@](C)(O)C[NH+]1CCOCC1)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000262392024 526378462 /nfs/dbraw/zinc/37/84/62/526378462.db2.gz MKZKGTRCCUMRKJ-KRXQYRFLSA-N 2 1 354.495 0.048 10 30 FCEEMP C[NH+]=C(NCc1cn2c(n1)CCCC2)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000261710918 526387715 /nfs/dbraw/zinc/38/77/15/526387715.db2.gz JZTYSJBSUNBCEU-INIZCTEOSA-N 2 1 360.506 0.949 10 30 FCEEMP CC[NH+]=C(NC[C@@H]1C[N@@H+](C)CCN1C)N1CCN(Cc2ccon2)CC1 ZINC000261678735 528811372 /nfs/dbraw/zinc/81/13/72/528811372.db2.gz CVDVWXIOWCYZHD-QGZVFWFLSA-N 2 1 363.510 0.004 10 30 FCEEMP C=CCN1CC[C@H]([NH+](CC)CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1=O ZINC001480975686 1181859907 /nfs/dbraw/zinc/85/99/07/1181859907.db2.gz DMIGNKYSZSHMBK-BBWFWOEESA-N 2 1 350.507 0.942 10 30 FCEEMP C=CCN1CC[C@H]([N@@H+](CC)CCNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1=O ZINC001480975686 1181859910 /nfs/dbraw/zinc/85/99/10/1181859910.db2.gz DMIGNKYSZSHMBK-BBWFWOEESA-N 2 1 350.507 0.942 10 30 FCEEMP C=CCN1CC[C@H]([N@H+](CC)CCNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1=O ZINC001480975686 1181859912 /nfs/dbraw/zinc/85/99/12/1181859912.db2.gz DMIGNKYSZSHMBK-BBWFWOEESA-N 2 1 350.507 0.942 10 30 FCEEMP COCC#CC[N@H+](CCOC)C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001269639680 1187860513 /nfs/dbraw/zinc/86/05/13/1187860513.db2.gz JPQYOVGQLLHTEZ-IEBWSBKVSA-N 2 1 365.518 0.916 10 30 FCEEMP C#CCNC(=O)C[NH2+]C[C@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C1CCCC1 ZINC001270404386 1188137286 /nfs/dbraw/zinc/13/72/86/1188137286.db2.gz XFEKWHONQICVLZ-OKZBNKHCSA-N 2 1 362.518 0.731 10 30 FCEEMP C#CCN(C(=O)C(=O)N1CC[C@@H](C[N@H+](C)CCC)C1)C1CC[NH+](C)CC1 ZINC000910885821 1195857391 /nfs/dbraw/zinc/85/73/91/1195857391.db2.gz OAAYTFAVZFMFAF-KRWDZBQOSA-N 2 1 362.518 0.733 10 30 FCEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)N(CC)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001488929012 1208576608 /nfs/dbraw/zinc/57/66/08/1208576608.db2.gz IXSVDAQHKPDPNN-TVFCKZIOSA-N 2 1 362.518 0.777 10 30 FCEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)N(CC)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001488929012 1208576617 /nfs/dbraw/zinc/57/66/17/1208576617.db2.gz IXSVDAQHKPDPNN-TVFCKZIOSA-N 2 1 362.518 0.777 10 30 FCEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)N(CC)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001488929012 1208576626 /nfs/dbraw/zinc/57/66/26/1208576626.db2.gz IXSVDAQHKPDPNN-TVFCKZIOSA-N 2 1 362.518 0.777 10 30 FCEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)N(CC)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001488929012 1208576643 /nfs/dbraw/zinc/57/66/43/1208576643.db2.gz IXSVDAQHKPDPNN-TVFCKZIOSA-N 2 1 362.518 0.777 10 30 FCEEMP C#CCN(C(=O)C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C)C1CC[NH+](C)CC1 ZINC000930742306 1211720426 /nfs/dbraw/zinc/72/04/26/1211720426.db2.gz CGNQAFUPHQKWFE-QGZVFWFLSA-N 2 1 362.518 0.779 10 30 FCEEMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)N(CC)CCC#N)C2)CC[N@H+]1C ZINC001490888514 1216835902 /nfs/dbraw/zinc/83/59/02/1216835902.db2.gz AXYQCIJLSVQAMF-LUKYLMHMSA-N 2 1 363.506 0.716 10 30 FCEEMP C=C(CC[NH+](C)C)C(=O)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000900466186 1217991660 /nfs/dbraw/zinc/99/16/60/1217991660.db2.gz FFFAYLUYQNEZMX-UHFFFAOYSA-N 2 1 358.486 0.955 10 30 FCEEMP C=CCN(CCOC)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903757531 1218516972 /nfs/dbraw/zinc/51/69/72/1218516972.db2.gz YYXWNYLQSABOEG-CALCHBBNSA-N 2 1 364.490 0.075 10 30 FCEEMP C=CCN(CCOC)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903757531 1218516977 /nfs/dbraw/zinc/51/69/77/1218516977.db2.gz YYXWNYLQSABOEG-CALCHBBNSA-N 2 1 364.490 0.075 10 30 FCEEMP N#Cc1ccc(OC[C@@H](O)C[N@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000923413048 1245717421 /nfs/dbraw/zinc/71/74/21/1245717421.db2.gz CJFBATMZRAHYJD-ONIAQPFYSA-N 2 1 372.425 0.165 10 30 FCEEMP N#CC1(C[C@@H](O)C[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)CCOCC1 ZINC001329149454 1265701220 /nfs/dbraw/zinc/70/12/20/1265701220.db2.gz PQLHRNGCDIGNGM-QZTJIDSGSA-N 2 1 366.506 0.054 10 30 FCEEMP N#CC1(C[C@H](O)C[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)CCOCC1 ZINC001329149456 1265700974 /nfs/dbraw/zinc/70/09/74/1265700974.db2.gz PQLHRNGCDIGNGM-ROUUACIJSA-N 2 1 366.506 0.054 10 30 FCEEMP C#CCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C[C@@H]2C1 ZINC001264650040 1260393351 /nfs/dbraw/zinc/39/33/51/1260393351.db2.gz CENPISAWIIYNIS-FJIDUMEYSA-N 2 1 360.502 0.246 10 30 FCEEMP C#CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C[C@@H]2C1 ZINC001264650040 1260393355 /nfs/dbraw/zinc/39/33/55/1260393355.db2.gz CENPISAWIIYNIS-FJIDUMEYSA-N 2 1 360.502 0.246 10 30 FCEEMP C#CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C[C@@H]2C1 ZINC001264650040 1260393362 /nfs/dbraw/zinc/39/33/62/1260393362.db2.gz CENPISAWIIYNIS-FJIDUMEYSA-N 2 1 360.502 0.246 10 30 FCEEMP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001264650575 1260393402 /nfs/dbraw/zinc/39/34/02/1260393402.db2.gz XBTNDNOAIMNJFE-JQHSSLGASA-N 2 1 360.502 0.246 10 30 FCEEMP C#CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@@H]2C1 ZINC001264654233 1260394040 /nfs/dbraw/zinc/39/40/40/1260394040.db2.gz DRBDSDWBFMRPQH-MSOLQXFVSA-N 2 1 360.502 0.248 10 30 FCEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)C[N@@H+](C)C(C)C)C[C@H]21 ZINC001289816445 1262349292 /nfs/dbraw/zinc/34/92/92/1262349292.db2.gz LBLYPEGMWDATKT-FGTMMUONSA-N 2 1 360.502 0.484 10 30 FCEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)C[N@H+](C)C(C)C)C[C@H]21 ZINC001289816445 1262349295 /nfs/dbraw/zinc/34/92/95/1262349295.db2.gz LBLYPEGMWDATKT-FGTMMUONSA-N 2 1 360.502 0.484 10 30 FCEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)C[NH+](C)C(C)C)C[C@H]21 ZINC001289816445 1262349302 /nfs/dbraw/zinc/34/93/02/1262349302.db2.gz LBLYPEGMWDATKT-FGTMMUONSA-N 2 1 360.502 0.484 10 30 FCEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)C[NH+](C)C(C)C)C[C@H]21 ZINC001289816445 1262349305 /nfs/dbraw/zinc/34/93/05/1262349305.db2.gz LBLYPEGMWDATKT-FGTMMUONSA-N 2 1 360.502 0.484 10 30 FCEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[N@@H+](C)CC)C2 ZINC001292223576 1262669057 /nfs/dbraw/zinc/66/90/57/1262669057.db2.gz BIHVDVPKNZYYAK-BDXSIMOUSA-N 2 1 360.502 0.674 10 30 FCEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[N@H+](C)CC)C2 ZINC001292223576 1262669061 /nfs/dbraw/zinc/66/90/61/1262669061.db2.gz BIHVDVPKNZYYAK-BDXSIMOUSA-N 2 1 360.502 0.674 10 30 FCEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)CC)C2 ZINC001292223576 1262669066 /nfs/dbraw/zinc/66/90/66/1262669066.db2.gz BIHVDVPKNZYYAK-BDXSIMOUSA-N 2 1 360.502 0.674 10 30 FCEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)CC)C2 ZINC001292223576 1262669068 /nfs/dbraw/zinc/66/90/68/1262669068.db2.gz BIHVDVPKNZYYAK-BDXSIMOUSA-N 2 1 360.502 0.674 10 30 FCEEMP C#CCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3CCC)C[C@@H]2C1 ZINC001479667659 1263320875 /nfs/dbraw/zinc/32/08/75/1263320875.db2.gz WYBBUYONXVDART-FGTMMUONSA-N 2 1 360.502 0.391 10 30 FCEEMP C#CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3CCC)C[C@@H]2C1 ZINC001479667659 1263320882 /nfs/dbraw/zinc/32/08/82/1263320882.db2.gz WYBBUYONXVDART-FGTMMUONSA-N 2 1 360.502 0.391 10 30 FCEEMP C#CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3CCC)C[C@@H]2C1 ZINC001479667659 1263320892 /nfs/dbraw/zinc/32/08/92/1263320892.db2.gz WYBBUYONXVDART-FGTMMUONSA-N 2 1 360.502 0.391 10 30 FCEEMP C=CCN1CC[C@H]([NH2+]CCN(CC)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1=O ZINC001497383844 1263928487 /nfs/dbraw/zinc/92/84/87/1263928487.db2.gz NZYKHDGAUUWPQY-YESZJQIVSA-N 2 1 350.507 0.942 10 30 FCEEMP C=CCNC(=O)[C@@H](C)[NH+]1CCC(C)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001499986135 1264052782 /nfs/dbraw/zinc/05/27/82/1264052782.db2.gz HHNSHBPGGDRRHM-BZUAXINKSA-N 2 1 350.507 0.988 10 30 FCEEMP C#CCNC(=O)[C@@H](C)[NH+]1C[C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C[C@H]2C1 ZINC001325740257 1264982811 /nfs/dbraw/zinc/98/28/11/1264982811.db2.gz FUMRXGWBRGDQRA-DFBDCSAJSA-N 2 1 360.502 0.245 10 30 FCEEMP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C[C@H]2C1 ZINC001325740257 1264982819 /nfs/dbraw/zinc/98/28/19/1264982819.db2.gz FUMRXGWBRGDQRA-DFBDCSAJSA-N 2 1 360.502 0.245 10 30 FCEEMP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C[C@H]2C1 ZINC001325740257 1264982827 /nfs/dbraw/zinc/98/28/27/1264982827.db2.gz FUMRXGWBRGDQRA-DFBDCSAJSA-N 2 1 360.502 0.245 10 30 FCEEMP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)C[C@@H]2C1 ZINC001566044816 1269576637 /nfs/dbraw/zinc/57/66/37/1269576637.db2.gz QFHAREXVIYORKY-BBWFWOEESA-N 2 1 362.518 0.942 10 30 FCEEMP C=CCNC(=O)[C@H](C)[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@@H]2C1 ZINC001566044816 1269576642 /nfs/dbraw/zinc/57/66/42/1269576642.db2.gz QFHAREXVIYORKY-BBWFWOEESA-N 2 1 362.518 0.942 10 30 FCEEMP C=CCNC(=O)[C@H](C)[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@@H]2C1 ZINC001566044816 1269576645 /nfs/dbraw/zinc/57/66/45/1269576645.db2.gz QFHAREXVIYORKY-BBWFWOEESA-N 2 1 362.518 0.942 10 30 FCEEMP C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[NH+](CC(=O)NCC#N)CC[C@@H]3C2)CC[N@@H+]1C ZINC001566048315 1269581008 /nfs/dbraw/zinc/58/10/08/1269581008.db2.gz JGWUCEJEIKHOSY-NXOAAHMSSA-N 2 1 361.490 0.137 10 30 FCEEMP C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[NH+](CC(=O)NCC#N)CC[C@@H]3C2)CC[N@H+]1C ZINC001566048315 1269581016 /nfs/dbraw/zinc/58/10/16/1269581016.db2.gz JGWUCEJEIKHOSY-NXOAAHMSSA-N 2 1 361.490 0.137 10 30 FCEEMP C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[N@@H+](CC(=O)NCC#N)CC[C@@H]3C2)CC[NH+]1C ZINC001566048315 1269581024 /nfs/dbraw/zinc/58/10/24/1269581024.db2.gz JGWUCEJEIKHOSY-NXOAAHMSSA-N 2 1 361.490 0.137 10 30 FCEEMP C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[N@H+](CC(=O)NCC#N)CC[C@@H]3C2)CC[NH+]1C ZINC001566048315 1269581029 /nfs/dbraw/zinc/58/10/29/1269581029.db2.gz JGWUCEJEIKHOSY-NXOAAHMSSA-N 2 1 361.490 0.137 10 30 FCEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H](CNC(=O)C[N@@H+](C)C(C)C)[C@H](C)C1 ZINC001573853636 1270907149 /nfs/dbraw/zinc/90/71/49/1270907149.db2.gz FHVUSZPNADLCRN-KURKYZTESA-N 2 1 362.518 0.635 10 30 FCEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H](CNC(=O)C[N@H+](C)C(C)C)[C@H](C)C1 ZINC001573853636 1270907153 /nfs/dbraw/zinc/90/71/53/1270907153.db2.gz FHVUSZPNADLCRN-KURKYZTESA-N 2 1 362.518 0.635 10 30 FCEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](CNC(=O)C[NH+](C)C(C)C)[C@H](C)C1 ZINC001573853636 1270907156 /nfs/dbraw/zinc/90/71/56/1270907156.db2.gz FHVUSZPNADLCRN-KURKYZTESA-N 2 1 362.518 0.635 10 30 FCEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](CNC(=O)C[NH+](C)C(C)C)[C@H](C)C1 ZINC001573853636 1270907161 /nfs/dbraw/zinc/90/71/61/1270907161.db2.gz FHVUSZPNADLCRN-KURKYZTESA-N 2 1 362.518 0.635 10 30 FCEEMP C=CCNC(=O)NC(=O)[C@H](C)[NH+](C)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001713453664 1287278951 /nfs/dbraw/zinc/27/89/51/1287278951.db2.gz KKDVPGHQSPYZQF-SOUVJXGZSA-N 2 1 367.494 0.165 10 30 FCEEMP C=CCNC(=O)NC(=O)[C@H](C)[NH+](C)CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001713453664 1287278957 /nfs/dbraw/zinc/27/89/57/1287278957.db2.gz KKDVPGHQSPYZQF-SOUVJXGZSA-N 2 1 367.494 0.165 10 30 FCEEMP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001713453664 1287278964 /nfs/dbraw/zinc/27/89/64/1287278964.db2.gz KKDVPGHQSPYZQF-SOUVJXGZSA-N 2 1 367.494 0.165 10 30 FCEEMP C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)CCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001713453664 1287278970 /nfs/dbraw/zinc/27/89/70/1287278970.db2.gz KKDVPGHQSPYZQF-SOUVJXGZSA-N 2 1 367.494 0.165 10 30 FCEEMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@](CO)([NH2+]CC#CCOC)C2)CC[N@H+]1C ZINC001717252359 1287414588 /nfs/dbraw/zinc/41/45/88/1287414588.db2.gz CDUZDLRLKLSNGT-YQVWRLOYSA-N 2 1 351.491 0.310 10 30 FCEEMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[NH+](CC(=O)NCC#N)CC2(C)C)CC[N@@H+]1C ZINC001717309548 1287416388 /nfs/dbraw/zinc/41/63/88/1287416388.db2.gz OPNWPDMNSLHOQA-ARFHVFGLSA-N 2 1 363.506 0.573 10 30 FCEEMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[NH+](CC(=O)NCC#N)CC2(C)C)CC[N@H+]1C ZINC001717309548 1287416393 /nfs/dbraw/zinc/41/63/93/1287416393.db2.gz OPNWPDMNSLHOQA-ARFHVFGLSA-N 2 1 363.506 0.573 10 30 FCEEMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)CC2(C)C)CC[NH+]1C ZINC001717309548 1287416396 /nfs/dbraw/zinc/41/63/96/1287416396.db2.gz OPNWPDMNSLHOQA-ARFHVFGLSA-N 2 1 363.506 0.573 10 30 FCEEMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)CC2(C)C)CC[NH+]1C ZINC001717309548 1287416400 /nfs/dbraw/zinc/41/64/00/1287416400.db2.gz OPNWPDMNSLHOQA-ARFHVFGLSA-N 2 1 363.506 0.573 10 30 FCEEMP C#CCNC(=O)C[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C(C)(C)C ZINC001717959076 1287450998 /nfs/dbraw/zinc/45/09/98/1287450998.db2.gz LOAKYMSCYXMBLM-ARFHVFGLSA-N 2 1 350.507 0.587 10 30 FCEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001702946678 1286015512 /nfs/dbraw/zinc/01/55/12/1286015512.db2.gz RLGVAHRFVYWQNK-HVMFNXBNSA-N 2 1 374.529 0.918 10 30 FCEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001702946678 1286015517 /nfs/dbraw/zinc/01/55/17/1286015517.db2.gz RLGVAHRFVYWQNK-HVMFNXBNSA-N 2 1 374.529 0.918 10 30 FCEEMP C[C@@H]1[C@H](C(=O)N2CCC3(C2)CC[NH+](CC(=O)NCC#N)CC3)CC[N@H+]1C ZINC001723699046 1288427837 /nfs/dbraw/zinc/42/78/37/1288427837.db2.gz ZGTNMJJIPGLELE-HZPDHXFCSA-N 2 1 361.490 0.281 10 30 FCEEMP C=CCNC(=O)C[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001732184026 1288577198 /nfs/dbraw/zinc/57/71/98/1288577198.db2.gz QZKKJFSQRUCBMD-IXDOHACOSA-N 2 1 350.507 0.942 10 30 FCEEMP C=CCNC(=O)C[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001732184026 1288577200 /nfs/dbraw/zinc/57/72/00/1288577200.db2.gz QZKKJFSQRUCBMD-IXDOHACOSA-N 2 1 350.507 0.942 10 30 FCEEMP C=CCNC(=O)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001732184026 1288577202 /nfs/dbraw/zinc/57/72/02/1288577202.db2.gz QZKKJFSQRUCBMD-IXDOHACOSA-N 2 1 350.507 0.942 10 30 FCEEMP C=CCNC(=O)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001732184026 1288577205 /nfs/dbraw/zinc/57/72/05/1288577205.db2.gz QZKKJFSQRUCBMD-IXDOHACOSA-N 2 1 350.507 0.942 10 30 FCEEMP C=CCNC(=O)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001733685825 1288625127 /nfs/dbraw/zinc/62/51/27/1288625127.db2.gz CJDWOOSPLJUTJN-QBPKDAKJSA-N 2 1 350.507 0.893 10 30 FCEEMP C=CCNC(=O)[C@H](C)[NH2+]CC1(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCOCC1 ZINC001733829964 1288632313 /nfs/dbraw/zinc/63/23/13/1288632313.db2.gz GFTWARFSRGJFTP-ARFHVFGLSA-N 2 1 366.506 0.272 10 30 FCEEMP CC[C@@H]1[C@@H](C(=O)N(C)CC(C)(C)C[NH2+]CC(=O)NCC#N)CC[N@H+]1C ZINC001734017862 1288638497 /nfs/dbraw/zinc/63/84/97/1288638497.db2.gz BSQJXUYUXVYEEE-LSDHHAIUSA-N 2 1 351.495 0.431 10 30 FCEEMP C#CCNC(=O)C[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001734610795 1288662978 /nfs/dbraw/zinc/66/29/78/1288662978.db2.gz IFVBBIDXJZSXRY-BPQIPLTHSA-N 2 1 362.518 0.683 10 30 FCEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](CNC(=O)C[NH+](CC)CC)[C@H](C)C1 ZINC001740172319 1290505431 /nfs/dbraw/zinc/50/54/31/1290505431.db2.gz VGLVEGAMHUPOSC-KURKYZTESA-N 2 1 362.518 0.637 10 30 FCEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](CNC(=O)C[NH+](CC)CC)[C@H](C)C1 ZINC001740172319 1290505438 /nfs/dbraw/zinc/50/54/38/1290505438.db2.gz VGLVEGAMHUPOSC-KURKYZTESA-N 2 1 362.518 0.637 10 30 FCEEMP C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)[C@H]1CC ZINC001656720927 1291557859 /nfs/dbraw/zinc/55/78/59/1291557859.db2.gz YIFPUMLFXNEQOQ-KSZLIROESA-N 2 1 362.518 0.825 10 30 FCEEMP C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)[C@H]1CC ZINC001656720927 1291557864 /nfs/dbraw/zinc/55/78/64/1291557864.db2.gz YIFPUMLFXNEQOQ-KSZLIROESA-N 2 1 362.518 0.825 10 30 FCEEMP C#CCNC(=O)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)[C@H]1CC ZINC001656720927 1291557869 /nfs/dbraw/zinc/55/78/69/1291557869.db2.gz YIFPUMLFXNEQOQ-KSZLIROESA-N 2 1 362.518 0.825 10 30 FCEEMP C#CCNC(=O)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)[C@H]1CC ZINC001656720927 1291557877 /nfs/dbraw/zinc/55/78/77/1291557877.db2.gz YIFPUMLFXNEQOQ-KSZLIROESA-N 2 1 362.518 0.825 10 30 FCEEMP CC[C@@H]1[C@@H](C(=O)NCCC[C@H]2CCC[NH+]2CC(=O)NCC#N)CC[N@H+]1C ZINC001663067872 1291744303 /nfs/dbraw/zinc/74/43/03/1291744303.db2.gz ZAYJSAASFYXHRI-YESZJQIVSA-N 2 1 363.506 0.717 10 30 FCEEMP CC[C@@H]1[C@@H](C(=O)NCCC[C@H]2CCC[N@@H+]2CC(=O)NCC#N)CC[NH+]1C ZINC001663067872 1291744309 /nfs/dbraw/zinc/74/43/09/1291744309.db2.gz ZAYJSAASFYXHRI-YESZJQIVSA-N 2 1 363.506 0.717 10 30 FCEEMP CC[C@@H]1[C@@H](C(=O)NCCC[C@H]2CCC[N@H+]2CC(=O)NCC#N)CC[NH+]1C ZINC001663067872 1291744315 /nfs/dbraw/zinc/74/43/15/1291744315.db2.gz ZAYJSAASFYXHRI-YESZJQIVSA-N 2 1 363.506 0.717 10 30 FCEEMP C#CC[NH+]1CCC[C@H]1C(=O)N(CC)CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001687719606 1293005519 /nfs/dbraw/zinc/00/55/19/1293005519.db2.gz IAMVSCFYUTUAQO-KURKYZTESA-N 2 1 362.518 0.779 10 30 FCEEMP C#CC[NH+]1CCC[C@H]1C(=O)N(CC)CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001687719606 1293005527 /nfs/dbraw/zinc/00/55/27/1293005527.db2.gz IAMVSCFYUTUAQO-KURKYZTESA-N 2 1 362.518 0.779 10 30 FCEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001687719606 1293005535 /nfs/dbraw/zinc/00/55/35/1293005535.db2.gz IAMVSCFYUTUAQO-KURKYZTESA-N 2 1 362.518 0.779 10 30 FCEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001687719606 1293005545 /nfs/dbraw/zinc/00/55/45/1293005545.db2.gz IAMVSCFYUTUAQO-KURKYZTESA-N 2 1 362.518 0.779 10 30 FCEEMP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001264392259 859353312 /nfs/dbraw/zinc/35/33/12/859353312.db2.gz ILBJDIXDNACFEC-UHDSXZAQSA-N 2 1 350.507 0.892 10 30 FCEEMP C=CCNC(=O)C[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001265644771 859463704 /nfs/dbraw/zinc/46/37/04/859463704.db2.gz BKFUZZCNEXTXQW-YESZJQIVSA-N 2 1 350.507 0.990 10 30 FCEEMP C=CCNC(=O)C[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001265644771 859463708 /nfs/dbraw/zinc/46/37/08/859463708.db2.gz BKFUZZCNEXTXQW-YESZJQIVSA-N 2 1 350.507 0.990 10 30 FCEEMP C=CCNC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001265644771 859463712 /nfs/dbraw/zinc/46/37/12/859463712.db2.gz BKFUZZCNEXTXQW-YESZJQIVSA-N 2 1 350.507 0.990 10 30 FCEEMP C=CCNC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001265644771 859463718 /nfs/dbraw/zinc/46/37/18/859463718.db2.gz BKFUZZCNEXTXQW-YESZJQIVSA-N 2 1 350.507 0.990 10 30 FCEEMP CC[C@@H]1[C@@H](C(=O)N2CCC(O)(C[NH2+]CC#CCOC)CC2)CC[N@H+]1C ZINC001274520654 860768447 /nfs/dbraw/zinc/76/84/47/860768447.db2.gz NGPQWWOSMCZBKB-DLBZAZTESA-N 2 1 351.491 0.310 10 30 FCEEMP C=CCNC(=O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC001316705855 867412243 /nfs/dbraw/zinc/41/22/43/867412243.db2.gz MELBEOMSKBWNJG-IKGGRYGDSA-N 2 1 350.507 0.990 10 30 FCEEMP C[N@@H+]1CCC[C@H](N2CC[NH+](C[C@@H](O)CC3(C#N)CCOCC3)CC2)C1 ZINC001331571970 873150079 /nfs/dbraw/zinc/15/00/79/873150079.db2.gz NRRUCFWSJDTKCU-ROUUACIJSA-N 2 1 350.507 0.770 10 30 FCEEMP C[N@H+]1CCC[C@H](N2CC[NH+](C[C@@H](O)CC3(C#N)CCOCC3)CC2)C1 ZINC001331571970 873150083 /nfs/dbraw/zinc/15/00/83/873150083.db2.gz NRRUCFWSJDTKCU-ROUUACIJSA-N 2 1 350.507 0.770 10 30 FCEEMP C[C@@H](O)C[NH+]1CCN(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000329451738 489005367 /nfs/dbraw/zinc/00/53/67/489005367.db2.gz OYXIFSBKWBZMAD-CVEARBPZSA-N 2 1 354.495 0.400 10 30 FCEEMP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]C[C@H](O)CC1(C#N)CCOCC1 ZINC000600721341 491878647 /nfs/dbraw/zinc/87/86/47/491878647.db2.gz CHLHWGSPRPYXDZ-IAGOWNOFSA-N 2 1 366.506 0.590 10 30 FCEEMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]C[C@H](O)CC1(C#N)CCOCC1 ZINC000600721341 491878649 /nfs/dbraw/zinc/87/86/49/491878649.db2.gz CHLHWGSPRPYXDZ-IAGOWNOFSA-N 2 1 366.506 0.590 10 30 FCEEMP C[NH+]=C(NC[C@@H]1CCC[N@@H+]1CCOC)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000261749573 526370750 /nfs/dbraw/zinc/37/07/50/526370750.db2.gz LQXMVAFFHBLLBE-MAUKXSAKSA-N 2 1 351.495 0.275 10 30 FCEEMP C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCN1C)N[C@H]1CCc2cn(C(C)C)nc2C1 ZINC000262024358 526372859 /nfs/dbraw/zinc/37/28/59/526372859.db2.gz ZKJJRMCOAYCRAR-DLBZAZTESA-N 2 1 361.538 0.732 10 30 FCEEMP CC[NH+]=C(NC[C@H]1C[N@@H+](C)CCN1C)N1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000261813260 528814838 /nfs/dbraw/zinc/81/48/38/528814838.db2.gz HTWPAQIOJWAVHQ-INIZCTEOSA-N 2 1 366.554 0.529 10 30 FCEEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1cccc(S(N)(=O)=O)c1C#N ZINC000853773682 671557032 /nfs/dbraw/zinc/55/70/32/671557032.db2.gz LYWTZRICUHZKEU-ZDUSSCGKSA-N 2 1 353.492 0.890 10 30 FCEEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1cccc(S(N)(=O)=O)c1C#N ZINC000853773682 671557033 /nfs/dbraw/zinc/55/70/33/671557033.db2.gz LYWTZRICUHZKEU-ZDUSSCGKSA-N 2 1 353.492 0.890 10 30 FCEEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1ccc(S(N)(=O)=O)cc1C#N ZINC000853773427 671557040 /nfs/dbraw/zinc/55/70/40/671557040.db2.gz DCXWIFPEQVSPKR-ZDUSSCGKSA-N 2 1 353.492 0.890 10 30 FCEEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1ccc(S(N)(=O)=O)cc1C#N ZINC000853773427 671557042 /nfs/dbraw/zinc/55/70/42/671557042.db2.gz DCXWIFPEQVSPKR-ZDUSSCGKSA-N 2 1 353.492 0.890 10 30 FCEEMP C#CCN(C(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)C1CC[NH+](C)CC1 ZINC000910882345 1195856519 /nfs/dbraw/zinc/85/65/19/1195856519.db2.gz DBKBEXHDUZXZEB-SJLPKXTDSA-N 2 1 360.502 0.485 10 30 FCEEMP C#CCN(C(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)C1CC[NH+](C)CC1 ZINC000910882343 1195856730 /nfs/dbraw/zinc/85/67/30/1195856730.db2.gz DBKBEXHDUZXZEB-FUHWJXTLSA-N 2 1 360.502 0.485 10 30 FCEEMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCOCCO)[C@@H]2CC)CC1 ZINC001489148064 1208645859 /nfs/dbraw/zinc/64/58/59/1208645859.db2.gz VYNFRMGHVNQIHU-ZWKOTPCHSA-N 2 1 351.491 0.310 10 30 FCEEMP C#CCN1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)CCC)C2 ZINC001490671241 1209397955 /nfs/dbraw/zinc/39/79/55/1209397955.db2.gz VDPBTMNWCSJNAM-OWSLCNJRSA-N 2 1 360.502 0.674 10 30 FCEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)CCC)C2 ZINC001490671241 1209397960 /nfs/dbraw/zinc/39/79/60/1209397960.db2.gz VDPBTMNWCSJNAM-OWSLCNJRSA-N 2 1 360.502 0.674 10 30 FCEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)CCC)C2 ZINC001490671241 1209397964 /nfs/dbraw/zinc/39/79/64/1209397964.db2.gz VDPBTMNWCSJNAM-OWSLCNJRSA-N 2 1 360.502 0.674 10 30 FCEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)CCC)C2 ZINC001490671241 1209397967 /nfs/dbraw/zinc/39/79/67/1209397967.db2.gz VDPBTMNWCSJNAM-OWSLCNJRSA-N 2 1 360.502 0.674 10 30 FCEEMP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)CC1 ZINC000930006201 1211681533 /nfs/dbraw/zinc/68/15/33/1211681533.db2.gz CRHAUDIZSPOLTP-QGZVFWFLSA-N 2 1 364.490 0.123 10 30 FCEEMP CC(C)[N@@H+]1CCO[C@H](C(=[NH2+])NOCC(=O)NCc2cccc(C#N)c2)C1 ZINC000779651089 1212804992 /nfs/dbraw/zinc/80/49/92/1212804992.db2.gz BWCUNQHMGHSIAD-INIZCTEOSA-N 2 1 359.430 0.782 10 30 FCEEMP CC(C)[N@H+]1CCO[C@H](C(=[NH2+])NOCC(=O)NCc2cccc(C#N)c2)C1 ZINC000779651089 1212804994 /nfs/dbraw/zinc/80/49/94/1212804994.db2.gz BWCUNQHMGHSIAD-INIZCTEOSA-N 2 1 359.430 0.782 10 30 FCEEMP C#CCN(C(=O)NC[C@H](C)CN1CC[NH+](CC)CC1)C1CC[NH+](C)CC1 ZINC000920463688 1245624218 /nfs/dbraw/zinc/62/42/18/1245624218.db2.gz ZKJCDOMUEUTOOV-SFHVURJKSA-N 2 1 363.550 0.999 10 30 FCEEMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C[N@H+](C)CCC)CC1 ZINC001282746710 1261605801 /nfs/dbraw/zinc/60/58/01/1261605801.db2.gz DHJYGOBOHVRDRZ-QRVBRYPASA-N 2 1 374.529 0.922 10 30 FCEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H]2C1 ZINC001288961081 1262050837 /nfs/dbraw/zinc/05/08/37/1262050837.db2.gz AMTLTRNVAGVQFF-OKZBNKHCSA-N 2 1 360.502 0.484 10 30 FCEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)C[N@H+](C)C(C)C)[C@@H]2C1 ZINC001288961081 1262050844 /nfs/dbraw/zinc/05/08/44/1262050844.db2.gz AMTLTRNVAGVQFF-OKZBNKHCSA-N 2 1 360.502 0.484 10 30 FCEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001288961081 1262050851 /nfs/dbraw/zinc/05/08/51/1262050851.db2.gz AMTLTRNVAGVQFF-OKZBNKHCSA-N 2 1 360.502 0.484 10 30 FCEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001288961081 1262050855 /nfs/dbraw/zinc/05/08/55/1262050855.db2.gz AMTLTRNVAGVQFF-OKZBNKHCSA-N 2 1 360.502 0.484 10 30 FCEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)C[N@@H+](C)CCC)[C@@H]2C1 ZINC001288979904 1262057821 /nfs/dbraw/zinc/05/78/21/1262057821.db2.gz KZMYHRQXVOGFBR-OKZBNKHCSA-N 2 1 360.502 0.485 10 30 FCEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)C[N@H+](C)CCC)[C@@H]2C1 ZINC001288979904 1262057827 /nfs/dbraw/zinc/05/78/27/1262057827.db2.gz KZMYHRQXVOGFBR-OKZBNKHCSA-N 2 1 360.502 0.485 10 30 FCEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)C[NH+](C)CCC)[C@@H]2C1 ZINC001288979904 1262057833 /nfs/dbraw/zinc/05/78/33/1262057833.db2.gz KZMYHRQXVOGFBR-OKZBNKHCSA-N 2 1 360.502 0.485 10 30 FCEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)C[NH+](C)CCC)[C@@H]2C1 ZINC001288979904 1262057836 /nfs/dbraw/zinc/05/78/36/1262057836.db2.gz KZMYHRQXVOGFBR-OKZBNKHCSA-N 2 1 360.502 0.485 10 30 FCEEMP C#CCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C[C@@H]2C1 ZINC001479667661 1263320753 /nfs/dbraw/zinc/32/07/53/1263320753.db2.gz WYBBUYONXVDART-SQNIBIBYSA-N 2 1 360.502 0.391 10 30 FCEEMP C#CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3CCC)C[C@@H]2C1 ZINC001479667661 1263320764 /nfs/dbraw/zinc/32/07/64/1263320764.db2.gz WYBBUYONXVDART-SQNIBIBYSA-N 2 1 360.502 0.391 10 30 FCEEMP C#CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3CCC)C[C@@H]2C1 ZINC001479667661 1263320778 /nfs/dbraw/zinc/32/07/78/1263320778.db2.gz WYBBUYONXVDART-SQNIBIBYSA-N 2 1 360.502 0.391 10 30 FCEEMP CC[C@@H]1[C@@H](C(=O)N2CCC(CC[NH2+]CC(=O)NCC#N)CC2)CC[N@H+]1C ZINC001495414417 1263819069 /nfs/dbraw/zinc/81/90/69/1263819069.db2.gz ABHLZHCLVQZLJD-DLBZAZTESA-N 2 1 363.506 0.575 10 30 FCEEMP C=CCNC(=O)NC(=O)C[NH+](C)C[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001322160562 1264157020 /nfs/dbraw/zinc/15/70/20/1264157020.db2.gz MYHQGJPRFBEIIY-QLFBSQMISA-N 2 1 367.494 0.165 10 30 FCEEMP C=CCNC(=O)NC(=O)C[NH+](C)C[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001322160562 1264157026 /nfs/dbraw/zinc/15/70/26/1264157026.db2.gz MYHQGJPRFBEIIY-QLFBSQMISA-N 2 1 367.494 0.165 10 30 FCEEMP C=CCNC(=O)NC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001322160562 1264157029 /nfs/dbraw/zinc/15/70/29/1264157029.db2.gz MYHQGJPRFBEIIY-QLFBSQMISA-N 2 1 367.494 0.165 10 30 FCEEMP C=CCNC(=O)NC(=O)C[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001322160562 1264157033 /nfs/dbraw/zinc/15/70/33/1264157033.db2.gz MYHQGJPRFBEIIY-QLFBSQMISA-N 2 1 367.494 0.165 10 30 FCEEMP C=CCO[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1 ZINC001322997830 1264310257 /nfs/dbraw/zinc/31/02/57/1264310257.db2.gz KUASHHZTINPCLX-DOTOQJQBSA-N 2 1 364.490 0.075 10 30 FCEEMP C#CCNC(=O)C[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC1 ZINC001569864230 1269812193 /nfs/dbraw/zinc/81/21/93/1269812193.db2.gz PDCHURPQHMODNX-QBPKDAKJSA-N 2 1 371.485 0.775 10 30 FCEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)CCC[NH+](C)C)C[C@H]21 ZINC001343896543 1270043376 /nfs/dbraw/zinc/04/33/76/1270043376.db2.gz UXAPBLDLEPXJPF-FGTMMUONSA-N 2 1 360.502 0.485 10 30 FCEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)CCC[NH+](C)C)C[C@H]21 ZINC001343896543 1270043383 /nfs/dbraw/zinc/04/33/83/1270043383.db2.gz UXAPBLDLEPXJPF-FGTMMUONSA-N 2 1 360.502 0.485 10 30 FCEEMP C#CC[NH+]1CCC(C(=O)N(C)CCCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001577090146 1274149557 /nfs/dbraw/zinc/14/95/57/1274149557.db2.gz RUXLVVHWYXKYJN-SJLPKXTDSA-N 2 1 362.518 0.637 10 30 FCEEMP C=CCNC(=O)C[NH2+]CCC1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001714264146 1287318067 /nfs/dbraw/zinc/31/80/67/1287318067.db2.gz KUSHTVLEBQBNRK-NVXWUHKLSA-N 2 1 350.507 0.847 10 30 FCEEMP C#CCNC(=O)[C@H](C)[NH+]1CCC(C)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001716884523 1287392263 /nfs/dbraw/zinc/39/22/63/1287392263.db2.gz XDAJBPWXJMFSAK-IXDOHACOSA-N 2 1 362.518 0.683 10 30 FCEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001740177961 1290508909 /nfs/dbraw/zinc/50/89/09/1290508909.db2.gz ONBSTKYIXQZEOY-KURKYZTESA-N 2 1 362.518 0.637 10 30 FCEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001740177961 1290508913 /nfs/dbraw/zinc/50/89/13/1290508913.db2.gz ONBSTKYIXQZEOY-KURKYZTESA-N 2 1 362.518 0.637 10 30 FCEEMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1c1cnn(C)c1 ZINC001656401747 1291519139 /nfs/dbraw/zinc/51/91/39/1291519139.db2.gz FPQYIGOXRCFCMS-KSZLIROESA-N 2 1 361.490 0.601 10 30 FCEEMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1c1cnn(C)c1 ZINC001656401747 1291519145 /nfs/dbraw/zinc/51/91/45/1291519145.db2.gz FPQYIGOXRCFCMS-KSZLIROESA-N 2 1 361.490 0.601 10 30 FCEEMP C[C@@H]1[C@H](C(=O)NC[C@]2(O)CC[NH+](Cc3ccc(C#N)cc3)C2)CC[N@H+]1C ZINC001671998068 1292054906 /nfs/dbraw/zinc/05/49/06/1292054906.db2.gz BLLZNDBAXOHFJW-XFQXTVEOSA-N 2 1 356.470 0.951 10 30 FCEEMP C[C@@H]1[C@H](C(=O)NC[C@]2(O)CC[N@H+](Cc3ccc(C#N)cc3)C2)CC[NH+]1C ZINC001671998068 1292054910 /nfs/dbraw/zinc/05/49/10/1292054910.db2.gz BLLZNDBAXOHFJW-XFQXTVEOSA-N 2 1 356.470 0.951 10 30 FCEEMP C=CCOCC[NH2+]CC1(O)CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001274519883 860768398 /nfs/dbraw/zinc/76/83/98/860768398.db2.gz BWCDHMIEYWVYJW-DLBZAZTESA-N 2 1 353.507 0.862 10 30 FCEEMP C[C@@H]1[C@H](C(=O)N(CCO)CC[NH2+]Cc2ccc(C#N)s2)CC[N@H+]1C ZINC001326023008 870144297 /nfs/dbraw/zinc/14/42/97/870144297.db2.gz OPGDZOPZGXNVLV-CZUORRHYSA-N 2 1 350.488 0.870 10 30 FCEEMP C=CC[NH+]1CCC(NC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@H+]32)CC1 ZINC001345633716 871441327 /nfs/dbraw/zinc/44/13/27/871441327.db2.gz VSGGNAUPFVJOQJ-FUHWJXTLSA-N 2 1 352.479 0.162 10 30 FCEEMP C[NH+]=C(NC[C@@H]1CCC[N@H+]1C)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000157033983 526370578 /nfs/dbraw/zinc/37/05/78/526370578.db2.gz LMPSCXYAMAVZFB-IRXDYDNUSA-N 2 1 364.538 0.285 10 30 FCEEMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCCCN1S(=O)(=O)N(C)C ZINC000262268043 529100274 /nfs/dbraw/zinc/10/02/74/529100274.db2.gz HTJVVXQQGZENLV-GJZGRUSLSA-N 2 1 374.555 0.036 10 30 FCEEMP C#CCNC(=O)[C@H](C)[N@@H+](C)CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC1 ZINC001481516516 1186217667 /nfs/dbraw/zinc/21/76/67/1186217667.db2.gz VNUYYBCYPVXAOT-USXIJHARSA-N 2 1 371.485 0.822 10 30 FCEEMP C#CCNC(=O)[C@H](C)[N@H+](C)CC1CCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC1 ZINC001481516516 1186217673 /nfs/dbraw/zinc/21/76/73/1186217673.db2.gz VNUYYBCYPVXAOT-USXIJHARSA-N 2 1 371.485 0.822 10 30 FCEEMP C#CCNC(=O)[C@H](C)[N@@H+](C)CC1CCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC1 ZINC001481516516 1186217679 /nfs/dbraw/zinc/21/76/79/1186217679.db2.gz VNUYYBCYPVXAOT-USXIJHARSA-N 2 1 371.485 0.822 10 30 FCEEMP C=CCNC(=O)C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001269693605 1187863269 /nfs/dbraw/zinc/86/32/69/1187863269.db2.gz WXGNMJHADFRXQP-MBOZVWFJSA-N 2 1 362.518 0.943 10 30 FCEEMP C=CCNC(=O)C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001269693605 1187863271 /nfs/dbraw/zinc/86/32/71/1187863271.db2.gz WXGNMJHADFRXQP-MBOZVWFJSA-N 2 1 362.518 0.943 10 30 FCEEMP C[C@@H](C[N@H+](C)CC(=O)NCC#N)NC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001483386265 1195826083 /nfs/dbraw/zinc/82/60/83/1195826083.db2.gz BHIBYEZHGCAKBX-JQHSSLGASA-N 2 1 371.485 0.408 10 30 FCEEMP C[C@@H](C[N@@H+](C)CC(=O)NCC#N)NC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001483386265 1195826085 /nfs/dbraw/zinc/82/60/85/1195826085.db2.gz BHIBYEZHGCAKBX-JQHSSLGASA-N 2 1 371.485 0.408 10 30 FCEEMP C[C@@H](C[NH+](C)CC(=O)NCC#N)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001483386265 1195826089 /nfs/dbraw/zinc/82/60/89/1195826089.db2.gz BHIBYEZHGCAKBX-JQHSSLGASA-N 2 1 371.485 0.408 10 30 FCEEMP C[C@@H](C[NH+](C)CC(=O)NCC#N)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001483386265 1195826092 /nfs/dbraw/zinc/82/60/92/1195826092.db2.gz BHIBYEZHGCAKBX-JQHSSLGASA-N 2 1 371.485 0.408 10 30 FCEEMP C[NH+]1CC[C@H](CC(=O)N2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@@H]2C#N)C1 ZINC000912535946 1196350407 /nfs/dbraw/zinc/35/04/07/1196350407.db2.gz PFFNLEWFSJPTIZ-ZACQAIPSSA-N 2 1 361.490 0.233 10 30 FCEEMP C[NH+]1CC[C@H](CC(=O)N2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)[C@@H](C#N)C2)C1 ZINC000912535946 1196350409 /nfs/dbraw/zinc/35/04/09/1196350409.db2.gz PFFNLEWFSJPTIZ-ZACQAIPSSA-N 2 1 361.490 0.233 10 30 FCEEMP C[NH+]1CC[C@H](CC(=O)N2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)[C@@H](C#N)C2)C1 ZINC000912535946 1196350411 /nfs/dbraw/zinc/35/04/11/1196350411.db2.gz PFFNLEWFSJPTIZ-ZACQAIPSSA-N 2 1 361.490 0.233 10 30 FCEEMP C[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@@H]([NH3+])CCCCC#N)CC2)CC1 ZINC000594438683 1196722357 /nfs/dbraw/zinc/72/23/57/1196722357.db2.gz PSDDTUPICMDGCE-KRWDZBQOSA-N 2 1 363.506 0.800 10 30 FCEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[N@@H+](C)CC)C2 ZINC001490712250 1209411016 /nfs/dbraw/zinc/41/10/16/1209411016.db2.gz BIHVDVPKNZYYAK-OWSLCNJRSA-N 2 1 360.502 0.674 10 30 FCEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[N@H+](C)CC)C2 ZINC001490712250 1209411018 /nfs/dbraw/zinc/41/10/18/1209411018.db2.gz BIHVDVPKNZYYAK-OWSLCNJRSA-N 2 1 360.502 0.674 10 30 FCEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)CC)C2 ZINC001490712250 1209411021 /nfs/dbraw/zinc/41/10/21/1209411021.db2.gz BIHVDVPKNZYYAK-OWSLCNJRSA-N 2 1 360.502 0.674 10 30 FCEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)CC)C2 ZINC001490712250 1209411027 /nfs/dbraw/zinc/41/10/27/1209411027.db2.gz BIHVDVPKNZYYAK-OWSLCNJRSA-N 2 1 360.502 0.674 10 30 FCEEMP C#CCNC(=O)[C@H](C)[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001275684960 1211273389 /nfs/dbraw/zinc/27/33/89/1211273389.db2.gz MQCNQYQZKYUXEZ-RRFJBIMHSA-N 2 1 359.474 0.725 10 30 FCEEMP C=C1[C@H](C(=O)N[C@@H]2CC[NH+](C3CC3)C2)[C@H]1C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000900372173 1217984478 /nfs/dbraw/zinc/98/44/78/1217984478.db2.gz QJXCQAMZGDWFRN-KNCCTNLNSA-N 2 1 358.486 0.494 10 30 FCEEMP C=C1[C@H](C(=O)NCC2=CC[N@@H+](C)CC2)[C@@H]1C(=O)NCC1=CC[NH+](C)CC1 ZINC000901331288 1218114412 /nfs/dbraw/zinc/11/44/12/1218114412.db2.gz SECSFZAXVDCGSA-HDICACEKSA-N 2 1 358.486 0.545 10 30 FCEEMP C=C1[C@H](C(=O)NCC2=CC[NH+](C)CC2)[C@@H]1C(=O)NCC1=CC[N@H+](C)CC1 ZINC000901331288 1218114416 /nfs/dbraw/zinc/11/44/16/1218114416.db2.gz SECSFZAXVDCGSA-HDICACEKSA-N 2 1 358.486 0.545 10 30 FCEEMP C=C1[C@H](C(=O)NCC2=CC[NH+](C)CC2)[C@@H]1C(=O)NCC1=CC[N@@H+](C)CC1 ZINC000901331288 1218114422 /nfs/dbraw/zinc/11/44/22/1218114422.db2.gz SECSFZAXVDCGSA-HDICACEKSA-N 2 1 358.486 0.545 10 30 FCEEMP C#CCN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000831551475 1222499069 /nfs/dbraw/zinc/49/90/69/1222499069.db2.gz PHJSYHYDDVKJPX-ROUUACIJSA-N 2 1 360.502 0.628 10 30 FCEEMP C#CCN(C(=O)[C@@H]1CCC[NH+]1C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000831551475 1222499071 /nfs/dbraw/zinc/49/90/71/1222499071.db2.gz PHJSYHYDDVKJPX-ROUUACIJSA-N 2 1 360.502 0.628 10 30 FCEEMP C#CCN(C(=O)[C@@H]1CCC[NH+]1C)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000831551475 1222499073 /nfs/dbraw/zinc/49/90/73/1222499073.db2.gz PHJSYHYDDVKJPX-ROUUACIJSA-N 2 1 360.502 0.628 10 30 FCEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C2 ZINC001522170982 1266394109 /nfs/dbraw/zinc/39/41/09/1266394109.db2.gz SYZHYCFDXGRJON-WKULXVSPSA-N 2 1 360.502 0.672 10 30 FCEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C2 ZINC001522170982 1266394120 /nfs/dbraw/zinc/39/41/20/1266394120.db2.gz SYZHYCFDXGRJON-WKULXVSPSA-N 2 1 360.502 0.672 10 30 FCEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@H]1C ZINC001282491301 1261482581 /nfs/dbraw/zinc/48/25/81/1261482581.db2.gz RUQBWBATBLYQEP-KURKYZTESA-N 2 1 362.518 0.637 10 30 FCEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)C[N@H+](C)CCC)C[C@H]1C ZINC001282491301 1261482584 /nfs/dbraw/zinc/48/25/84/1261482584.db2.gz RUQBWBATBLYQEP-KURKYZTESA-N 2 1 362.518 0.637 10 30 FCEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)C[NH+](C)CCC)C[C@H]1C ZINC001282491301 1261482588 /nfs/dbraw/zinc/48/25/88/1261482588.db2.gz RUQBWBATBLYQEP-KURKYZTESA-N 2 1 362.518 0.637 10 30 FCEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)C[NH+](C)CCC)C[C@H]1C ZINC001282491301 1261482591 /nfs/dbraw/zinc/48/25/91/1261482591.db2.gz RUQBWBATBLYQEP-KURKYZTESA-N 2 1 362.518 0.637 10 30 FCEEMP C[N@@H+]1CCC[C@H]1CCC(=O)N1C[C@@H]2C[NH+](CC(=O)NCC#N)CC[C@@H]2C1 ZINC001479666928 1263320192 /nfs/dbraw/zinc/32/01/92/1263320192.db2.gz IPCQHUQULBARCV-IKGGRYGDSA-N 2 1 361.490 0.281 10 30 FCEEMP C[N@H+]1CCC[C@H]1CCC(=O)N1C[C@@H]2C[NH+](CC(=O)NCC#N)CC[C@@H]2C1 ZINC001479666928 1263320201 /nfs/dbraw/zinc/32/02/01/1263320201.db2.gz IPCQHUQULBARCV-IKGGRYGDSA-N 2 1 361.490 0.281 10 30 FCEEMP C[NH+]1CCC[C@H]1CCC(=O)N1C[C@@H]2C[N@@H+](CC(=O)NCC#N)CC[C@@H]2C1 ZINC001479666928 1263320212 /nfs/dbraw/zinc/32/02/12/1263320212.db2.gz IPCQHUQULBARCV-IKGGRYGDSA-N 2 1 361.490 0.281 10 30 FCEEMP C[NH+]1CCC[C@H]1CCC(=O)N1C[C@@H]2C[N@H+](CC(=O)NCC#N)CC[C@@H]2C1 ZINC001479666928 1263320222 /nfs/dbraw/zinc/32/02/22/1263320222.db2.gz IPCQHUQULBARCV-IKGGRYGDSA-N 2 1 361.490 0.281 10 30 FCEEMP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+](C)C)C[C@@H]2C1 ZINC001479673222 1263336333 /nfs/dbraw/zinc/33/63/33/1263336333.db2.gz XOXLATPWCWJBCJ-KSZLIROESA-N 2 1 362.518 0.637 10 30 FCEEMP C#CCNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001316658251 1263403653 /nfs/dbraw/zinc/40/36/53/1263403653.db2.gz UMIRCUICKJYCBI-YESZJQIVSA-N 2 1 371.485 0.378 10 30 FCEEMP COCC#CC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1c1cnn(C)c1 ZINC001316680611 1263417781 /nfs/dbraw/zinc/41/77/81/1263417781.db2.gz RNUHXAWVEVHKAC-ZWKOTPCHSA-N 2 1 370.457 0.159 10 30 FCEEMP C#CCNC(=O)C[NH+]1CCC(N(CC#C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001483984677 1263451442 /nfs/dbraw/zinc/45/14/42/1263451442.db2.gz VINGCFBYBHGUMS-SJLPKXTDSA-N 2 1 358.486 0.002 10 30 FCEEMP C#CCNC(=O)C[NH+]1CCC(N(CC#C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001483984677 1263451446 /nfs/dbraw/zinc/45/14/46/1263451446.db2.gz VINGCFBYBHGUMS-SJLPKXTDSA-N 2 1 358.486 0.002 10 30 FCEEMP C=CCOCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)C[NH+]3CCOCC3)C[C@@H]2C1 ZINC001316759188 1263465771 /nfs/dbraw/zinc/46/57/71/1263465771.db2.gz BUAMPVLMALQCJW-QRVBRYPASA-N 2 1 365.518 0.938 10 30 FCEEMP C=CCOCC[NH+]1CC(N2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)CC2)C1 ZINC001484945004 1263493504 /nfs/dbraw/zinc/49/35/04/1263493504.db2.gz MKGZJNDODDSCFG-RBUKOAKNSA-N 2 1 364.534 0.748 10 30 FCEEMP C=CCOCC[NH+]1CC(N2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CC2)C1 ZINC001484945004 1263493514 /nfs/dbraw/zinc/49/35/14/1263493514.db2.gz MKGZJNDODDSCFG-RBUKOAKNSA-N 2 1 364.534 0.748 10 30 FCEEMP CCN(CCC#N)C(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001485877463 1263518233 /nfs/dbraw/zinc/51/82/33/1263518233.db2.gz MCQJEAYTRSLNPB-BZUAXINKSA-N 2 1 351.495 0.525 10 30 FCEEMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]([NH2+]CC(=O)NCC#N)c2ccccc2)CC[N@@H+]1C ZINC001493889635 1263745383 /nfs/dbraw/zinc/74/53/83/1263745383.db2.gz UIUDRLQMYDUNHT-RCCFBDPRSA-N 2 1 371.485 0.804 10 30 FCEEMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]([NH2+]CC(=O)NCC#N)c2ccccc2)CC[N@H+]1C ZINC001493889635 1263745388 /nfs/dbraw/zinc/74/53/88/1263745388.db2.gz UIUDRLQMYDUNHT-RCCFBDPRSA-N 2 1 371.485 0.804 10 30 FCEEMP C[C@@H]1[C@H](C(=O)N(CCO)CC[NH2+]Cc2ccc(C#N)c(F)c2)CC[N@H+]1C ZINC001501459686 1264123298 /nfs/dbraw/zinc/12/32/98/1264123298.db2.gz YPKZJSZJXNQMCY-RHSMWYFYSA-N 2 1 362.449 0.948 10 30 FCEEMP CC1(C#N)CCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)CC1 ZINC001339206344 1268186005 /nfs/dbraw/zinc/18/60/05/1268186005.db2.gz ILVAJPGXYMOGEG-CALCHBBNSA-N 2 1 373.501 0.566 10 30 FCEEMP CC1(C#N)CCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)CC1 ZINC001339206344 1268186007 /nfs/dbraw/zinc/18/60/07/1268186007.db2.gz ILVAJPGXYMOGEG-CALCHBBNSA-N 2 1 373.501 0.566 10 30 FCEEMP C[C@H](CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)[NH2+]CC(=O)NCC#N ZINC001567230831 1269682747 /nfs/dbraw/zinc/68/27/47/1269682747.db2.gz SGVBOMNESVFHEK-NXHRZFHOSA-N 2 1 371.485 0.456 10 30 FCEEMP CN(CC[NH2+]CC(=O)NCC#N)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001567563352 1269700422 /nfs/dbraw/zinc/70/04/22/1269700422.db2.gz QCPXPEHXEGZQDT-SJORKVTESA-N 2 1 357.458 0.020 10 30 FCEEMP C=CCOCC(=O)N1CC[NH+](CCCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001577834264 1274948601 /nfs/dbraw/zinc/94/86/01/1274948601.db2.gz AJDOWEJVMAWIRT-IAGOWNOFSA-N 2 1 366.506 0.180 10 30 FCEEMP C=CCOCC(=O)N1CC[NH+](CCCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001577834264 1274948609 /nfs/dbraw/zinc/94/86/09/1274948609.db2.gz AJDOWEJVMAWIRT-IAGOWNOFSA-N 2 1 366.506 0.180 10 30 FCEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CC[N@@H+](C)CC ZINC001702923210 1285998696 /nfs/dbraw/zinc/99/86/96/1285998696.db2.gz WUGVDIPIQDDKEO-OWSLCNJRSA-N 2 1 360.502 0.674 10 30 FCEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CC[N@H+](C)CC ZINC001702923210 1285998703 /nfs/dbraw/zinc/99/87/03/1285998703.db2.gz WUGVDIPIQDDKEO-OWSLCNJRSA-N 2 1 360.502 0.674 10 30 FCEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CC[NH+](C)CC ZINC001702923210 1285998709 /nfs/dbraw/zinc/99/87/09/1285998709.db2.gz WUGVDIPIQDDKEO-OWSLCNJRSA-N 2 1 360.502 0.674 10 30 FCEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CC[NH+](C)CC ZINC001702923210 1285998714 /nfs/dbraw/zinc/99/87/14/1285998714.db2.gz WUGVDIPIQDDKEO-OWSLCNJRSA-N 2 1 360.502 0.674 10 30 FCEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)CC[NH+](C)C ZINC001719513924 1288163786 /nfs/dbraw/zinc/16/37/86/1288163786.db2.gz KZJKSFYAUYTNEU-SQNIBIBYSA-N 2 1 362.518 0.779 10 30 FCEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)CC[NH+](C)C ZINC001719513924 1288163788 /nfs/dbraw/zinc/16/37/88/1288163788.db2.gz KZJKSFYAUYTNEU-SQNIBIBYSA-N 2 1 362.518 0.779 10 30 FCEEMP C[C@@H]1[C@H](C(=O)N2CC[C@@]3(C2)CCC[NH+](CC(=O)NCC#N)C3)CC[N@@H+]1C ZINC001723680856 1288427651 /nfs/dbraw/zinc/42/76/51/1288427651.db2.gz RMLIDDXGFXZQQJ-MDZRGWNJSA-N 2 1 361.490 0.281 10 30 FCEEMP C[C@@H]1[C@H](C(=O)N2CC[C@@]3(C2)CCC[NH+](CC(=O)NCC#N)C3)CC[N@H+]1C ZINC001723680856 1288427654 /nfs/dbraw/zinc/42/76/54/1288427654.db2.gz RMLIDDXGFXZQQJ-MDZRGWNJSA-N 2 1 361.490 0.281 10 30 FCEEMP C[C@@H]1[C@H](C(=O)N2CC[C@@]3(C2)CCC[N@H+](CC(=O)NCC#N)C3)CC[NH+]1C ZINC001723680856 1288427656 /nfs/dbraw/zinc/42/76/56/1288427656.db2.gz RMLIDDXGFXZQQJ-MDZRGWNJSA-N 2 1 361.490 0.281 10 30 FCEEMP C[C@@H]1[C@H](C(=O)N2CC[C@@]3(C2)CCC[N@@H+](CC(=O)NCC#N)C3)CC[NH+]1C ZINC001723680856 1288427661 /nfs/dbraw/zinc/42/76/61/1288427661.db2.gz RMLIDDXGFXZQQJ-MDZRGWNJSA-N 2 1 361.490 0.281 10 30 FCEEMP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[C@H](C[NH2+]CC(=O)NCC#N)CC2)CC[N@H+]1C ZINC001724606698 1288447629 /nfs/dbraw/zinc/44/76/29/1288447629.db2.gz JHWFGKKTFAZQIR-QBPKDAKJSA-N 2 1 363.506 0.479 10 30 FCEEMP CCN(CCC#N)C(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001731661148 1288562459 /nfs/dbraw/zinc/56/24/59/1288562459.db2.gz YHSWFLKYAIBCIZ-BRWVUGGUSA-N 2 1 363.506 0.527 10 30 FCEEMP C=CCOCC[NH+]1CCO[C@]2(CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001734136938 1288643431 /nfs/dbraw/zinc/64/34/31/1288643431.db2.gz HRSLOTVVXVQUEB-ZHALLVOQSA-N 2 1 351.491 0.833 10 30 FCEEMP C=CCOCC[NH+]1CCO[C@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001734136938 1288643434 /nfs/dbraw/zinc/64/34/34/1288643434.db2.gz HRSLOTVVXVQUEB-ZHALLVOQSA-N 2 1 351.491 0.833 10 30 FCEEMP C=CCOCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001734136938 1288643436 /nfs/dbraw/zinc/64/34/36/1288643436.db2.gz HRSLOTVVXVQUEB-ZHALLVOQSA-N 2 1 351.491 0.833 10 30 FCEEMP C=CCOCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001734136938 1288643437 /nfs/dbraw/zinc/64/34/37/1288643437.db2.gz HRSLOTVVXVQUEB-ZHALLVOQSA-N 2 1 351.491 0.833 10 30 FCEEMP C=CCNC(=O)C[NH+]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C(C)(C)C1 ZINC001734143954 1288643458 /nfs/dbraw/zinc/64/34/58/1288643458.db2.gz BERSMRVVGBMOKG-XHSDSOJGSA-N 2 1 350.507 0.846 10 30 FCEEMP C=CCNC(=O)C[NH+]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C(C)(C)C1 ZINC001734143954 1288643461 /nfs/dbraw/zinc/64/34/61/1288643461.db2.gz BERSMRVVGBMOKG-XHSDSOJGSA-N 2 1 350.507 0.846 10 30 FCEEMP C=CCNC(=O)C[N@H+]1C[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C(C)(C)C1 ZINC001734143954 1288643464 /nfs/dbraw/zinc/64/34/64/1288643464.db2.gz BERSMRVVGBMOKG-XHSDSOJGSA-N 2 1 350.507 0.846 10 30 FCEEMP C=CCNC(=O)C[N@@H+]1C[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C(C)(C)C1 ZINC001734143954 1288643467 /nfs/dbraw/zinc/64/34/67/1288643467.db2.gz BERSMRVVGBMOKG-XHSDSOJGSA-N 2 1 350.507 0.846 10 30 FCEEMP C=CC[NH2+]CCC(=O)NC[C@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001677451723 1292235861 /nfs/dbraw/zinc/23/58/61/1292235861.db2.gz ICPWJKLXTWTZQR-BRWVUGGUSA-N 2 1 350.507 0.990 10 30 FCEEMP C[C@@H](O)C[NH+]1CCN(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000329451739 489005509 /nfs/dbraw/zinc/00/55/09/489005509.db2.gz OYXIFSBKWBZMAD-HZPDHXFCSA-N 2 1 354.495 0.400 10 30 FCEEMP C[C@@H]1C[N@@H+](CC#CCN2C[C@H](C)O[C@]3(CCOC3)C2)C[C@@]2(CCOC2)O1 ZINC000367456720 489207027 /nfs/dbraw/zinc/20/70/27/489207027.db2.gz CQVVRJGHCNPVGM-IYWMVGAKSA-N 2 1 364.486 0.749 10 30 FCEEMP C[C@@H]1C[N@H+](CC#CCN2C[C@H](C)O[C@]3(CCOC3)C2)C[C@@]2(CCOC2)O1 ZINC000367456720 489207029 /nfs/dbraw/zinc/20/70/29/489207029.db2.gz CQVVRJGHCNPVGM-IYWMVGAKSA-N 2 1 364.486 0.749 10 30 FCEEMP C[N@H+]1CCN(CC[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)CC1(C)C ZINC000572595552 491380568 /nfs/dbraw/zinc/38/05/68/491380568.db2.gz MVUTYUNUEQWMNB-UHFFFAOYSA-N 2 1 364.515 0.948 10 30 FCEEMP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C[C@@H](O)CC1(C#N)CCOCC1 ZINC000600721342 491878832 /nfs/dbraw/zinc/87/88/32/491878832.db2.gz CHLHWGSPRPYXDZ-IRXDYDNUSA-N 2 1 366.506 0.590 10 30 FCEEMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C[C@@H](O)CC1(C#N)CCOCC1 ZINC000600721342 491878833 /nfs/dbraw/zinc/87/88/33/491878833.db2.gz CHLHWGSPRPYXDZ-IRXDYDNUSA-N 2 1 366.506 0.590 10 30 FCEEMP C=CCN1CC[C@@H]([N@H+]2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)C1=O ZINC000662337888 493507613 /nfs/dbraw/zinc/50/76/13/493507613.db2.gz NLAKXQJYKAPZJM-DOTOQJQBSA-N 2 1 358.490 0.786 10 30 FCEEMP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000876756288 672977374 /nfs/dbraw/zinc/97/73/74/672977374.db2.gz QKLNQGFXZNSYEL-HNNXBMFYSA-N 2 1 356.898 0.859 10 30 FCEEMP C=CCNC(=O)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)CC2 ZINC001482244037 1187881547 /nfs/dbraw/zinc/88/15/47/1187881547.db2.gz MIAUKGQXAYXIKO-DLBZAZTESA-N 2 1 362.518 0.943 10 30 FCEEMP C=CCNC(=O)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)CC2 ZINC001482244037 1187881552 /nfs/dbraw/zinc/88/15/52/1187881552.db2.gz MIAUKGQXAYXIKO-DLBZAZTESA-N 2 1 362.518 0.943 10 30 FCEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001719932140 1191219033 /nfs/dbraw/zinc/21/90/33/1191219033.db2.gz RLGVAHRFVYWQNK-ZSXDVEMLSA-N 2 1 374.529 0.918 10 30 FCEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001719932140 1191219034 /nfs/dbraw/zinc/21/90/34/1191219034.db2.gz RLGVAHRFVYWQNK-ZSXDVEMLSA-N 2 1 374.529 0.918 10 30 FCEEMP C#CC[N@H+](C)CCCNC(=O)c1ccc2[nH]c(=O)n(CC[NH+](C)C)c2c1 ZINC000823188513 1203252182 /nfs/dbraw/zinc/25/21/82/1203252182.db2.gz SOMHOLFQIHSSSJ-UHFFFAOYSA-N 2 1 357.458 0.988 10 30 FCEEMP C=CCNC(=O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001489047612 1208603319 /nfs/dbraw/zinc/60/33/19/1208603319.db2.gz BVMFMCYSZXBNPM-ZACQAIPSSA-N 2 1 350.507 0.847 10 30 FCEEMP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)Cn3ccnc3C)C[C@@H]2C1 ZINC001489208254 1208672834 /nfs/dbraw/zinc/67/28/34/1208672834.db2.gz OVAXRPHMGDMFDN-UAGQMJEPSA-N 2 1 357.458 0.110 10 30 FCEEMP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@@H]2C1 ZINC001489208254 1208672838 /nfs/dbraw/zinc/67/28/38/1208672838.db2.gz OVAXRPHMGDMFDN-UAGQMJEPSA-N 2 1 357.458 0.110 10 30 FCEEMP C=CC[C@@H]1CC[NH+]1CC(=O)N1CCN(C(=O)C[N@@H+]2CC[C@@H]2CC=C)CC1 ZINC000934470825 1211862792 /nfs/dbraw/zinc/86/27/92/1211862792.db2.gz FWVFRJJDZUIAOW-HDICACEKSA-N 2 1 360.502 0.958 10 30 FCEEMP C=CC[C@@H]1CC[N@H+]1CC(=O)N1CCN(C(=O)C[NH+]2CC[C@@H]2CC=C)CC1 ZINC000934470825 1211862796 /nfs/dbraw/zinc/86/27/96/1211862796.db2.gz FWVFRJJDZUIAOW-HDICACEKSA-N 2 1 360.502 0.958 10 30 FCEEMP C=CC[C@@H]1CC[N@@H+]1CC(=O)N1CCN(C(=O)C[NH+]2CC[C@@H]2CC=C)CC1 ZINC000934470825 1211862797 /nfs/dbraw/zinc/86/27/97/1211862797.db2.gz FWVFRJJDZUIAOW-HDICACEKSA-N 2 1 360.502 0.958 10 30 FCEEMP C=C1[C@H](C(=O)NC[C@H]2CCC[N@H+](C)C2)[C@H]1C(=O)NC[C@@H]1CCC[NH+](C)C1 ZINC000900630745 1218015314 /nfs/dbraw/zinc/01/53/14/1218015314.db2.gz QEKKDSLVZCLUDA-MHORFTMASA-N 2 1 362.518 0.705 10 30 FCEEMP C=C1[C@H](C(=O)NC[C@H]2CCC[NH+](C)C2)[C@H]1C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000900630745 1218015318 /nfs/dbraw/zinc/01/53/18/1218015318.db2.gz QEKKDSLVZCLUDA-MHORFTMASA-N 2 1 362.518 0.705 10 30 FCEEMP C=C1[C@H](C(=O)NC[C@H]2CCC[NH+](C)C2)[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000900630745 1218015323 /nfs/dbraw/zinc/01/53/23/1218015323.db2.gz QEKKDSLVZCLUDA-MHORFTMASA-N 2 1 362.518 0.705 10 30 FCEEMP C[C@@]1(C#N)CCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)C1 ZINC000903775943 1218522574 /nfs/dbraw/zinc/52/25/74/1218522574.db2.gz ILMUENPISGPRRG-FCEWJHQRSA-N 2 1 359.474 0.176 10 30 FCEEMP C[C@@]1(C#N)CCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)C1 ZINC000903775943 1218522583 /nfs/dbraw/zinc/52/25/83/1218522583.db2.gz ILMUENPISGPRRG-FCEWJHQRSA-N 2 1 359.474 0.176 10 30 FCEEMP Cc1c(C[C@H](C[NH3+])C[NH+]2CCN(c3ccc(C#N)nc3)CC2)cnn1C ZINC000903937239 1218568814 /nfs/dbraw/zinc/56/88/14/1218568814.db2.gz FZSFHJCMNWZBGV-MRXNPFEDSA-N 2 1 353.474 0.935 10 30 FCEEMP C=CCN1CC[C@H]([NH+]2CC[C@@H]3CN(C(=O)CC[N@H+](C)CC)C[C@@H]3C2)C1=O ZINC001264654389 1260394513 /nfs/dbraw/zinc/39/45/13/1260394513.db2.gz KNANRRPFZXCNIM-SQNIBIBYSA-N 2 1 362.518 0.895 10 30 FCEEMP C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)CC[NH+](C)CC)C[C@@H]3C2)C1=O ZINC001264654389 1260394520 /nfs/dbraw/zinc/39/45/20/1260394520.db2.gz KNANRRPFZXCNIM-SQNIBIBYSA-N 2 1 362.518 0.895 10 30 FCEEMP C=CCN1CC[C@H]([N@H+]2CC[C@@H]3CN(C(=O)CC[NH+](C)CC)C[C@@H]3C2)C1=O ZINC001264654389 1260394524 /nfs/dbraw/zinc/39/45/24/1260394524.db2.gz KNANRRPFZXCNIM-SQNIBIBYSA-N 2 1 362.518 0.895 10 30 FCEEMP C=CCNC(=O)[C@@H](C)[NH+]1C[C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C[C@H]2C1 ZINC001279362552 1260848903 /nfs/dbraw/zinc/84/89/03/1260848903.db2.gz HKSBTALHVKXMOO-DFBDCSAJSA-N 2 1 362.518 0.798 10 30 FCEEMP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C[C@H]2C1 ZINC001279362552 1260848904 /nfs/dbraw/zinc/84/89/04/1260848904.db2.gz HKSBTALHVKXMOO-DFBDCSAJSA-N 2 1 362.518 0.798 10 30 FCEEMP C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C[C@H]2C1 ZINC001279362552 1260848907 /nfs/dbraw/zinc/84/89/07/1260848907.db2.gz HKSBTALHVKXMOO-DFBDCSAJSA-N 2 1 362.518 0.798 10 30 FCEEMP C#CCNC(=O)[C@H](C)[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001280364927 1261061230 /nfs/dbraw/zinc/06/12/30/1261061230.db2.gz IWNQICUDUPZQSR-FLXSYLCISA-N 2 1 362.518 0.729 10 30 FCEEMP CN(CC(C)(C)C#N)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001332461040 1266409996 /nfs/dbraw/zinc/40/99/96/1266409996.db2.gz BBVQSIVVGUKEJK-IYBDPMFKSA-N 2 1 361.490 0.422 10 30 FCEEMP CN(CC(C)(C)C#N)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001332461040 1266410000 /nfs/dbraw/zinc/41/00/00/1266410000.db2.gz BBVQSIVVGUKEJK-IYBDPMFKSA-N 2 1 361.490 0.422 10 30 FCEEMP C[C@@H]1[C@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc2ccc(C#N)c(F)c2)CC[N@H+]1C ZINC001332518692 1266421789 /nfs/dbraw/zinc/42/17/89/1266421789.db2.gz SYOQDSIVWNNIMF-KBRIMQKVSA-N 2 1 362.449 0.946 10 30 FCEEMP C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)C[N@H+](C)CCC)[C@H]2C)CC1 ZINC001345532620 1261732989 /nfs/dbraw/zinc/73/29/89/1261732989.db2.gz ZUYUYTKXHZLDQQ-AEFFLSMTSA-N 2 1 362.518 0.779 10 30 FCEEMP CCN(CCC#N)C(=O)C[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)[C@H]1C ZINC001479729927 1263406606 /nfs/dbraw/zinc/40/66/06/1263406606.db2.gz OKPDUYZNURDYMB-CVEARBPZSA-N 2 1 351.495 0.668 10 30 FCEEMP CCN(CCC#N)C(=O)C[N@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)[C@H]1C ZINC001479729927 1263406607 /nfs/dbraw/zinc/40/66/07/1263406607.db2.gz OKPDUYZNURDYMB-CVEARBPZSA-N 2 1 351.495 0.668 10 30 FCEEMP CCN(CCC#N)C(=O)C[NH+]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)[C@H]1C ZINC001479729927 1263406608 /nfs/dbraw/zinc/40/66/08/1263406608.db2.gz OKPDUYZNURDYMB-CVEARBPZSA-N 2 1 351.495 0.668 10 30 FCEEMP CCN(CCC#N)C(=O)C[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)[C@H]1C ZINC001479729927 1263406609 /nfs/dbraw/zinc/40/66/09/1263406609.db2.gz OKPDUYZNURDYMB-CVEARBPZSA-N 2 1 351.495 0.668 10 30 FCEEMP C=CCNC(=O)[C@H](C)[NH+]1CCC(C)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001499986136 1264051984 /nfs/dbraw/zinc/05/19/84/1264051984.db2.gz HHNSHBPGGDRRHM-OWCLPIDISA-N 2 1 350.507 0.988 10 30 FCEEMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc2cc(C#N)ccc2F)CC[N@@H+]1C ZINC001507197894 1264354740 /nfs/dbraw/zinc/35/47/40/1264354740.db2.gz JENBSRWNPMZUAB-XYJFISCASA-N 2 1 362.449 0.994 10 30 FCEEMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc2cc(C#N)ccc2F)CC[N@H+]1C ZINC001507197894 1264354746 /nfs/dbraw/zinc/35/47/46/1264354746.db2.gz JENBSRWNPMZUAB-XYJFISCASA-N 2 1 362.449 0.994 10 30 FCEEMP C#CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC[NH+](CC(=O)NC2CC2)CC1 ZINC001324397712 1264636717 /nfs/dbraw/zinc/63/67/17/1264636717.db2.gz RKPLASYLUHRMFZ-CRAIPNDOSA-N 2 1 360.502 0.531 10 30 FCEEMP C#CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC[NH+](CC(=O)NC2CC2)CC1 ZINC001324397712 1264636727 /nfs/dbraw/zinc/63/67/27/1264636727.db2.gz RKPLASYLUHRMFZ-CRAIPNDOSA-N 2 1 360.502 0.531 10 30 FCEEMP C[NH+](C)CC#CCNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC001565496506 1269477755 /nfs/dbraw/zinc/47/77/55/1269477755.db2.gz KJPYNYHYXBIQKO-RBUKOAKNSA-N 2 1 358.486 0.734 10 30 FCEEMP COCC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1c1cnn(C)c1 ZINC001565924307 1269519788 /nfs/dbraw/zinc/51/97/88/1269519788.db2.gz LCZMFZZYGIPTHZ-RCCFBDPRSA-N 2 1 359.474 0.048 10 30 FCEEMP CC#CC[NH2+]CCC(=O)NC[C@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001571667012 1269949799 /nfs/dbraw/zinc/94/97/99/1269949799.db2.gz BLERPBQVHYHUTO-KZNAEPCWSA-N 2 1 362.518 0.827 10 30 FCEEMP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001712948519 1287258993 /nfs/dbraw/zinc/25/89/93/1287258993.db2.gz ZCGXFXHRZWDXKZ-QLFBSQMISA-N 2 1 367.494 0.165 10 30 FCEEMP C=CCNC(=O)NC(=O)[C@H](C)[NH+](C)CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001712948519 1287258998 /nfs/dbraw/zinc/25/89/98/1287258998.db2.gz ZCGXFXHRZWDXKZ-QLFBSQMISA-N 2 1 367.494 0.165 10 30 FCEEMP C=CCOCC[NH+]1CCC[C@](CO)(NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001717023215 1287403639 /nfs/dbraw/zinc/40/36/39/1287403639.db2.gz LVGWAZITLMFLIC-SCTDSRPQSA-N 2 1 353.507 0.862 10 30 FCEEMP C=CCOCC[N@H+]1CCC[C@](CO)(NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001717023215 1287403645 /nfs/dbraw/zinc/40/36/45/1287403645.db2.gz LVGWAZITLMFLIC-SCTDSRPQSA-N 2 1 353.507 0.862 10 30 FCEEMP C=CCOCC[N@@H+]1CCC[C@](CO)(NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001717023215 1287403651 /nfs/dbraw/zinc/40/36/51/1287403651.db2.gz LVGWAZITLMFLIC-SCTDSRPQSA-N 2 1 353.507 0.862 10 30 FCEEMP C=CCOCC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001717252884 1287414504 /nfs/dbraw/zinc/41/45/04/1287414504.db2.gz NOLGEEGAPGESFM-SCTDSRPQSA-N 2 1 353.507 0.862 10 30 FCEEMP C#CCNC(=O)[C@H](C)[NH+]1CC=C(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001718020892 1287452732 /nfs/dbraw/zinc/45/27/32/1287452732.db2.gz AGNNQGNLSSMAHH-RYQLBKOJSA-N 2 1 360.502 0.603 10 30 FCEEMP C#CCNC(=O)[C@H](C)[NH+]1CC=C(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001718020892 1287452736 /nfs/dbraw/zinc/45/27/36/1287452736.db2.gz AGNNQGNLSSMAHH-RYQLBKOJSA-N 2 1 360.502 0.603 10 30 FCEEMP C#CCNC(=O)[C@H](C)[N@@H+]1CC=C(CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001718020892 1287452737 /nfs/dbraw/zinc/45/27/37/1287452737.db2.gz AGNNQGNLSSMAHH-RYQLBKOJSA-N 2 1 360.502 0.603 10 30 FCEEMP C#CCNC(=O)[C@H](C)[N@H+]1CC=C(CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001718020892 1287452741 /nfs/dbraw/zinc/45/27/41/1287452741.db2.gz AGNNQGNLSSMAHH-RYQLBKOJSA-N 2 1 360.502 0.603 10 30 FCEEMP C=CCOCC[NH+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001707210432 1287036578 /nfs/dbraw/zinc/03/65/78/1287036578.db2.gz FMTKSCIFKULFPX-KZNAEPCWSA-N 2 1 353.507 0.815 10 30 FCEEMP C=CCOCC[N@@H+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001707210432 1287036587 /nfs/dbraw/zinc/03/65/87/1287036587.db2.gz FMTKSCIFKULFPX-KZNAEPCWSA-N 2 1 353.507 0.815 10 30 FCEEMP C=CCOCC[N@H+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001707210432 1287036596 /nfs/dbraw/zinc/03/65/96/1287036596.db2.gz FMTKSCIFKULFPX-KZNAEPCWSA-N 2 1 353.507 0.815 10 30 FCEEMP CC[N@H+](CC(=O)NCC#N)CC1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001733919130 1288636926 /nfs/dbraw/zinc/63/69/26/1288636926.db2.gz ZVRSEEUNOUVIMW-NVXWUHKLSA-N 2 1 363.506 0.527 10 30 FCEEMP CC[NH+](CC(=O)NCC#N)CC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001733919130 1288636928 /nfs/dbraw/zinc/63/69/28/1288636928.db2.gz ZVRSEEUNOUVIMW-NVXWUHKLSA-N 2 1 363.506 0.527 10 30 FCEEMP CC[NH+](CC(=O)NCC#N)CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001733919130 1288636930 /nfs/dbraw/zinc/63/69/30/1288636930.db2.gz ZVRSEEUNOUVIMW-NVXWUHKLSA-N 2 1 363.506 0.527 10 30 FCEEMP C=CCOCC[NH+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001734136936 1288643340 /nfs/dbraw/zinc/64/33/40/1288643340.db2.gz HRSLOTVVXVQUEB-LMMKCTJWSA-N 2 1 351.491 0.833 10 30 FCEEMP C=CCOCC[NH+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001734136936 1288643341 /nfs/dbraw/zinc/64/33/41/1288643341.db2.gz HRSLOTVVXVQUEB-LMMKCTJWSA-N 2 1 351.491 0.833 10 30 FCEEMP C=CCOCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001734136936 1288643342 /nfs/dbraw/zinc/64/33/42/1288643342.db2.gz HRSLOTVVXVQUEB-LMMKCTJWSA-N 2 1 351.491 0.833 10 30 FCEEMP C=CCOCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001734136936 1288643343 /nfs/dbraw/zinc/64/33/43/1288643343.db2.gz HRSLOTVVXVQUEB-LMMKCTJWSA-N 2 1 351.491 0.833 10 30 FCEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001649535636 1291170609 /nfs/dbraw/zinc/17/06/09/1291170609.db2.gz SLKFSNJPPLWYEM-BBWFWOEESA-N 2 1 360.502 0.579 10 30 FCEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1(NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001649535636 1291170613 /nfs/dbraw/zinc/17/06/13/1291170613.db2.gz SLKFSNJPPLWYEM-BBWFWOEESA-N 2 1 360.502 0.579 10 30 FCEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001649535636 1291170619 /nfs/dbraw/zinc/17/06/19/1291170619.db2.gz SLKFSNJPPLWYEM-BBWFWOEESA-N 2 1 360.502 0.579 10 30 FCEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001649535636 1291170622 /nfs/dbraw/zinc/17/06/22/1291170622.db2.gz SLKFSNJPPLWYEM-BBWFWOEESA-N 2 1 360.502 0.579 10 30 FCEEMP C#CCNC(=O)[C@H](C)[NH+]1CCC(N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001660776205 1291672000 /nfs/dbraw/zinc/67/20/00/1291672000.db2.gz QHVIEEUDIPRSDJ-RYQLBKOJSA-N 2 1 362.518 0.777 10 30 FCEEMP C#CCNC(=O)[C@H](C)[NH+]1CCC(N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001660776205 1291672009 /nfs/dbraw/zinc/67/20/09/1291672009.db2.gz QHVIEEUDIPRSDJ-RYQLBKOJSA-N 2 1 362.518 0.777 10 30 FCEEMP CC[C@@H]1[C@@H](C(=O)NCCC[C@@H]2CCC[NH+]2CC(=O)NCC#N)CC[N@H+]1C ZINC001663067871 1291743872 /nfs/dbraw/zinc/74/38/72/1291743872.db2.gz ZAYJSAASFYXHRI-IXDOHACOSA-N 2 1 363.506 0.717 10 30 FCEEMP CC[C@@H]1[C@@H](C(=O)NCCC[C@@H]2CCC[N@@H+]2CC(=O)NCC#N)CC[NH+]1C ZINC001663067871 1291743876 /nfs/dbraw/zinc/74/38/76/1291743876.db2.gz ZAYJSAASFYXHRI-IXDOHACOSA-N 2 1 363.506 0.717 10 30 FCEEMP CC[C@@H]1[C@@H](C(=O)NCCC[C@@H]2CCC[N@H+]2CC(=O)NCC#N)CC[NH+]1C ZINC001663067871 1291743881 /nfs/dbraw/zinc/74/38/81/1291743881.db2.gz ZAYJSAASFYXHRI-IXDOHACOSA-N 2 1 363.506 0.717 10 30 FCEEMP C#CCNC(=O)[C@@H](C)[NH+](C)CCCN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001673434467 1292107873 /nfs/dbraw/zinc/10/78/73/1292107873.db2.gz NVBDECXUUFAFJD-IXDOHACOSA-N 2 1 350.507 0.635 10 30 FCEEMP C#CCNC(=O)[C@@H](C)[N@@H+](C)CCCN(C)C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001673434467 1292107877 /nfs/dbraw/zinc/10/78/77/1292107877.db2.gz NVBDECXUUFAFJD-IXDOHACOSA-N 2 1 350.507 0.635 10 30 FCEEMP C#CCNC(=O)[C@@H](C)[N@H+](C)CCCN(C)C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001673434467 1292107881 /nfs/dbraw/zinc/10/78/81/1292107881.db2.gz NVBDECXUUFAFJD-IXDOHACOSA-N 2 1 350.507 0.635 10 30 FCEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)C)C1 ZINC001686308942 1292897789 /nfs/dbraw/zinc/89/77/89/1292897789.db2.gz MEBBNHCQWUPIKG-ZWOKBUDYSA-N 2 1 360.502 0.533 10 30 FCEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)C)C1 ZINC001686308942 1292897794 /nfs/dbraw/zinc/89/77/94/1292897794.db2.gz MEBBNHCQWUPIKG-ZWOKBUDYSA-N 2 1 360.502 0.533 10 30 FCEEMP C=CCNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001264474966 859362324 /nfs/dbraw/zinc/36/23/24/859362324.db2.gz PPIUHDWFKRADNC-LUKYLMHMSA-N 2 1 350.507 0.893 10 30 FCEEMP C=CCNC(=O)C[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001265644770 859463821 /nfs/dbraw/zinc/46/38/21/859463821.db2.gz BKFUZZCNEXTXQW-IXDOHACOSA-N 2 1 350.507 0.990 10 30 FCEEMP C=CCNC(=O)C[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001265644770 859463823 /nfs/dbraw/zinc/46/38/23/859463823.db2.gz BKFUZZCNEXTXQW-IXDOHACOSA-N 2 1 350.507 0.990 10 30 FCEEMP C=CCNC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001265644770 859463826 /nfs/dbraw/zinc/46/38/26/859463826.db2.gz BKFUZZCNEXTXQW-IXDOHACOSA-N 2 1 350.507 0.990 10 30 FCEEMP C=CCNC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001265644770 859463828 /nfs/dbraw/zinc/46/38/28/859463828.db2.gz BKFUZZCNEXTXQW-IXDOHACOSA-N 2 1 350.507 0.990 10 30 FCEEMP C[NH+]=C(NCC1CCN(S(C)(=O)=O)CC1)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000261947499 526353500 /nfs/dbraw/zinc/35/35/00/526353500.db2.gz GHXPNTWPBBBDKP-GOEBONIOSA-N 2 1 373.567 0.552 10 30 FCEEMP C[NH+]=C(NCc1cn2c(n1)CCCC2)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000261710920 526388141 /nfs/dbraw/zinc/38/81/41/526388141.db2.gz JZTYSJBSUNBCEU-MRXNPFEDSA-N 2 1 360.506 0.949 10 30 FCEEMP CC[NH+]=C(NC[C@@]1([NH+](C)C)CCSC1)N1CCN(C2CC2)C(=O)C1 ZINC000262816062 528813411 /nfs/dbraw/zinc/81/34/11/528813411.db2.gz VPTGUCHRYZHHKZ-KRWDZBQOSA-N 2 1 353.536 0.696 10 30 FCEEMP CC[NH+]=C(NC[C@]1([NH+](C)C)CCSC1)N1CCN(C2CC2)C(=O)C1 ZINC000262816064 528816331 /nfs/dbraw/zinc/81/63/31/528816331.db2.gz VPTGUCHRYZHHKZ-QGZVFWFLSA-N 2 1 353.536 0.696 10 30 FCEEMP Cc1noc(CCNC(NCCC[NH+]2CCOCC2)=[NH+]C(C)(C)C)n1 ZINC000912507153 666447431 /nfs/dbraw/zinc/44/74/31/666447431.db2.gz VYUUELMDOGTAEU-UHFFFAOYSA-N 2 1 352.483 0.977 10 30 FCEEMP C#CC[N@H+]1CCC[C@H](NC(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C)C1 ZINC000923599262 667226641 /nfs/dbraw/zinc/22/66/41/667226641.db2.gz SRFSMKHHFIYIOS-GJZGRUSLSA-N 2 1 352.479 0.655 10 30 FCEEMP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C)C1 ZINC000923599262 667226647 /nfs/dbraw/zinc/22/66/47/667226647.db2.gz SRFSMKHHFIYIOS-GJZGRUSLSA-N 2 1 352.479 0.655 10 30 FCEEMP C=CCN(CC=C)C(=O)C[NH+]1CC[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001267292973 1179339886 /nfs/dbraw/zinc/33/98/86/1179339886.db2.gz JOSNBCYMALPNRE-FGTMMUONSA-N 2 1 362.518 0.965 10 30 FCEEMP C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001267292973 1179339895 /nfs/dbraw/zinc/33/98/95/1179339895.db2.gz JOSNBCYMALPNRE-FGTMMUONSA-N 2 1 362.518 0.965 10 30 FCEEMP C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001267292973 1179339903 /nfs/dbraw/zinc/33/99/03/1179339903.db2.gz JOSNBCYMALPNRE-FGTMMUONSA-N 2 1 362.518 0.965 10 30 FCEEMP C#CCNC(=O)C[NH2+][C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)c1ccccc1 ZINC001267362603 1179993245 /nfs/dbraw/zinc/99/32/45/1179993245.db2.gz SVIDIVXTRDZYEC-GBESFXJTSA-N 2 1 370.497 0.913 10 30 FCEEMP C#CCNC(=O)C[NH2+][C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)c1ccccc1 ZINC001267362603 1179993252 /nfs/dbraw/zinc/99/32/52/1179993252.db2.gz SVIDIVXTRDZYEC-GBESFXJTSA-N 2 1 370.497 0.913 10 30 FCEEMP C#CCN(C(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1)C1CC[NH+](C)CC1 ZINC000910882348 1195856601 /nfs/dbraw/zinc/85/66/01/1195856601.db2.gz DBKBEXHDUZXZEB-WMZOPIPTSA-N 2 1 360.502 0.485 10 30 FCEEMP N#CCCCC[C@H]([NH3+])C(=O)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000594439134 1196721769 /nfs/dbraw/zinc/72/17/69/1196721769.db2.gz SQWLBEOJAAKMLE-SFHVURJKSA-N 2 1 371.485 0.858 10 30 FCEEMP C#CC[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(C[C@H]3CCC[N@@H+]3CC)C2)CC1 ZINC000928654934 1211608314 /nfs/dbraw/zinc/60/83/14/1211608314.db2.gz IHVVLEPGIGWWSX-FUHWJXTLSA-N 2 1 360.502 0.533 10 30 FCEEMP C#CC[N@H+](CC[C@H]1CCNC1=O)C1CC[NH+](CC[C@@H]2CCNC2=O)CC1 ZINC001331158881 1266160444 /nfs/dbraw/zinc/16/04/44/1266160444.db2.gz USCJOTXMMNLOEP-DLBZAZTESA-N 2 1 360.502 0.438 10 30 FCEEMP C[C@@H]1[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc2ccc(C#N)c(F)c2)CC[N@H+]1C ZINC001332518693 1266421906 /nfs/dbraw/zinc/42/19/06/1266421906.db2.gz SYOQDSIVWNNIMF-XOKHGSTOSA-N 2 1 362.449 0.946 10 30 FCEEMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001479468093 1263210761 /nfs/dbraw/zinc/21/07/61/1263210761.db2.gz GCRBJYFOWSKMQF-YESZJQIVSA-N 2 1 363.506 0.623 10 30 FCEEMP C=CCNC(=O)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001316644178 1263390334 /nfs/dbraw/zinc/39/03/34/1263390334.db2.gz KYKZQJLFRXSYTD-ZWKOTPCHSA-N 2 1 358.486 0.825 10 30 FCEEMP C=CCNC(=O)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001316644178 1263390347 /nfs/dbraw/zinc/39/03/47/1263390347.db2.gz KYKZQJLFRXSYTD-ZWKOTPCHSA-N 2 1 358.486 0.825 10 30 FCEEMP C#CCNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001316659952 1263404258 /nfs/dbraw/zinc/40/42/58/1263404258.db2.gz FXPATDOYAXGPOM-YESZJQIVSA-N 2 1 371.485 0.378 10 30 FCEEMP C#CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C1CC[NH+]([C@H](CC)C(N)=O)CC1 ZINC001324397793 1264636431 /nfs/dbraw/zinc/63/64/31/1264636431.db2.gz SNHCWKGQXIWSAU-RCCFBDPRSA-N 2 1 362.518 0.907 10 30 FCEEMP C[C@@H]1[C@H](C(=O)N2CC[NH+](CCCNC(=O)C#CC3CC3)CC2)CC[N@@H+]1C ZINC001524058065 1266681180 /nfs/dbraw/zinc/68/11/80/1266681180.db2.gz BRYDGEFTHAVWCP-SJLPKXTDSA-N 2 1 360.502 0.391 10 30 FCEEMP C[C@@H]1[C@H](C(=O)N2CC[NH+](CCCNC(=O)C#CC3CC3)CC2)CC[N@H+]1C ZINC001524058065 1266681190 /nfs/dbraw/zinc/68/11/90/1266681190.db2.gz BRYDGEFTHAVWCP-SJLPKXTDSA-N 2 1 360.502 0.391 10 30 FCEEMP COCC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1c1cnn(C)c1 ZINC001565924306 1269519690 /nfs/dbraw/zinc/51/96/90/1269519690.db2.gz LCZMFZZYGIPTHZ-KSZLIROESA-N 2 1 359.474 0.048 10 30 FCEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)[C@@H]2C1 ZINC001683812109 1284110791 /nfs/dbraw/zinc/11/07/91/1284110791.db2.gz LWOZSVVIZQOAMC-FGTMMUONSA-N 2 1 360.502 0.484 10 30 FCEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)[C@@H]2C1 ZINC001683812109 1284110794 /nfs/dbraw/zinc/11/07/94/1284110794.db2.gz LWOZSVVIZQOAMC-FGTMMUONSA-N 2 1 360.502 0.484 10 30 FCEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001683812109 1284110801 /nfs/dbraw/zinc/11/08/01/1284110801.db2.gz LWOZSVVIZQOAMC-FGTMMUONSA-N 2 1 360.502 0.484 10 30 FCEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001683812109 1284110806 /nfs/dbraw/zinc/11/08/06/1284110806.db2.gz LWOZSVVIZQOAMC-FGTMMUONSA-N 2 1 360.502 0.484 10 30 FCEEMP C#CCCCC(=O)N1CC[NH+](CCCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001720674818 1288249666 /nfs/dbraw/zinc/24/96/66/1288249666.db2.gz OWHINWFCDXLDNP-QZTJIDSGSA-N 2 1 362.518 0.781 10 30 FCEEMP C#CCCCC(=O)N1CC[NH+](CCCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001720674818 1288249673 /nfs/dbraw/zinc/24/96/73/1288249673.db2.gz OWHINWFCDXLDNP-QZTJIDSGSA-N 2 1 362.518 0.781 10 30 FCEEMP C[C@@H]1[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc2cc(C#N)ccc2F)CC[N@H+]1C ZINC001700937905 1289616449 /nfs/dbraw/zinc/61/64/49/1289616449.db2.gz OVLWCAPPYHXGTN-XOKHGSTOSA-N 2 1 362.449 0.946 10 30 FCEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)CCC[NH+](C)C ZINC001739765731 1290404904 /nfs/dbraw/zinc/40/49/04/1290404904.db2.gz CRDGIELYFLQVFV-KURKYZTESA-N 2 1 362.518 0.969 10 30 FCEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)CCC[NH+](C)C ZINC001739765731 1290404912 /nfs/dbraw/zinc/40/49/12/1290404912.db2.gz CRDGIELYFLQVFV-KURKYZTESA-N 2 1 362.518 0.969 10 30 FCEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@@H]1C ZINC001685286400 1292483976 /nfs/dbraw/zinc/48/39/76/1292483976.db2.gz VCGQZODAKDHMBW-IKGGRYGDSA-N 2 1 360.502 0.531 10 30 FCEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@@H]1C ZINC001685286400 1292483983 /nfs/dbraw/zinc/48/39/83/1292483983.db2.gz VCGQZODAKDHMBW-IKGGRYGDSA-N 2 1 360.502 0.531 10 30 FCEEMP C[NH+](C)CC#CCNC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC001687889431 1293027033 /nfs/dbraw/zinc/02/70/33/1293027033.db2.gz XTCIAZFEJWSBHA-OALUTQOASA-N 2 1 358.486 0.734 10 30 FCEEMP CCO[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]CC#CCOC ZINC001264536211 859377034 /nfs/dbraw/zinc/37/70/34/859377034.db2.gz OUWQWJVJXPXNKB-RCCFBDPRSA-N 2 1 351.491 0.431 10 30 FCEEMP CCc1nc2n(n1)C[C@H](NC(NC[C@@]1([NH+](C)C)CCSC1)=[NH+]C)CC2 ZINC000262816191 529751208 /nfs/dbraw/zinc/75/12/08/529751208.db2.gz VWCHJJPCKDMEJX-DYVFJYSZSA-N 2 1 365.551 0.758 10 30 FCEEMP CC(=O)NC[C@H]1CCC[N@@H+](CC#CC[NH+]2CCC[C@@H](CNC(C)=O)C2)C1 ZINC000472751481 250179357 /nfs/dbraw/zinc/17/93/57/250179357.db2.gz PGRPDXSXJFPECI-BGYRXZFFSA-N 2 1 362.518 0.686 10 30 FCEEMP CC(=O)NC[C@H]1CCC[NH+](CC#CC[N@@H+]2CCC[C@@H](CNC(C)=O)C2)C1 ZINC000472751481 250179361 /nfs/dbraw/zinc/17/93/61/250179361.db2.gz PGRPDXSXJFPECI-BGYRXZFFSA-N 2 1 362.518 0.686 10 30 FCEEMP CC(=O)NC[C@H]1CCC[NH+](CC#CC[N@H+]2CCC[C@@H](CNC(C)=O)C2)C1 ZINC000472751481 250179362 /nfs/dbraw/zinc/17/93/62/250179362.db2.gz PGRPDXSXJFPECI-BGYRXZFFSA-N 2 1 362.518 0.686 10 30 FCEEMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CC[C@@H]3OCCN(C)[C@H]3C2)C1 ZINC000329072938 488965778 /nfs/dbraw/zinc/96/57/78/488965778.db2.gz ZTEPNUWAHMWOQT-IKGGRYGDSA-N 2 1 354.495 0.662 10 30 FCEEMP CC(C)CN1CCO[C@H](CNC(=O)N2CC[C@@H]3OCCN(C)[C@H]3C2)C1 ZINC000329072938 488965780 /nfs/dbraw/zinc/96/57/80/488965780.db2.gz ZTEPNUWAHMWOQT-IKGGRYGDSA-N 2 1 354.495 0.662 10 30 FCEEMP COc1ccc(-n2cc(CNC(=[NH2+])NCCC[NH+]3CCOCC3)nn2)cc1 ZINC000087001596 488453333 /nfs/dbraw/zinc/45/33/33/488453333.db2.gz KBZPEJFTGRRWKW-UHFFFAOYSA-N 2 1 373.461 0.403 10 30 FCEEMP Cc1nc(C#N)c(N2CCN(C(=O)CN(C)[C@@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)o1 ZINC000247112068 488481689 /nfs/dbraw/zinc/48/16/89/488481689.db2.gz YKTRVMHLIWMDRD-GOEBONIOSA-N 2 1 374.489 0.918 10 30 FCEEMP Cc1nc(C#N)c(N2CCN(C(=O)CN3CC[C@@]4(CC[N@H+](C)C4)C3)CC2)o1 ZINC000366478189 489187373 /nfs/dbraw/zinc/18/73/73/489187373.db2.gz DCZHIKYKCFNZFV-LJQANCHMSA-N 2 1 372.473 0.531 10 30 FCEEMP CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001267267998 1179163019 /nfs/dbraw/zinc/16/30/19/1179163019.db2.gz VDBXEEJZJJQLCZ-BRWVUGGUSA-N 2 1 363.506 0.669 10 30 FCEEMP CCN(CCC#N)C(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001267267998 1179163027 /nfs/dbraw/zinc/16/30/27/1179163027.db2.gz VDBXEEJZJJQLCZ-BRWVUGGUSA-N 2 1 363.506 0.669 10 30 FCEEMP CCN(CCC#N)C(=O)C[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001267267998 1179163036 /nfs/dbraw/zinc/16/30/36/1179163036.db2.gz VDBXEEJZJJQLCZ-BRWVUGGUSA-N 2 1 363.506 0.669 10 30 FCEEMP CCN(CCC#N)C(=O)C[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001267267998 1179163040 /nfs/dbraw/zinc/16/30/40/1179163040.db2.gz VDBXEEJZJJQLCZ-BRWVUGGUSA-N 2 1 363.506 0.669 10 30 FCEEMP C#CCNC(=O)C[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001267486802 1181333837 /nfs/dbraw/zinc/33/38/37/1181333837.db2.gz LFRUJVINZJAUJB-RYQLBKOJSA-N 2 1 362.518 0.683 10 30 FCEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001489462307 1208846632 /nfs/dbraw/zinc/84/66/32/1208846632.db2.gz NBOKEUFXIFZJKV-BDXSIMOUSA-N 2 1 362.518 0.633 10 30 FCEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001489462307 1208846634 /nfs/dbraw/zinc/84/66/34/1208846634.db2.gz NBOKEUFXIFZJKV-BDXSIMOUSA-N 2 1 362.518 0.633 10 30 FCEEMP C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000850820514 1209491226 /nfs/dbraw/zinc/49/12/26/1209491226.db2.gz NWPJRVFJKCGDPM-KRWDZBQOSA-N 2 1 358.442 0.357 10 30 FCEEMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C#CC1CC[NH2+]CC1 ZINC000852868290 1209569511 /nfs/dbraw/zinc/56/95/11/1209569511.db2.gz CSMQLCURMFQCBR-QGZVFWFLSA-N 2 1 355.486 0.711 10 30 FCEEMP C#CCN(C(=O)C(=O)NCC[N@H+](C)Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000929666028 1211654095 /nfs/dbraw/zinc/65/40/95/1211654095.db2.gz FGTHVRIDZRRMIU-UHFFFAOYSA-N 2 1 370.497 0.791 10 30 FCEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](CC)[NH+](C)C)C2 ZINC001490872086 1212879635 /nfs/dbraw/zinc/87/96/35/1212879635.db2.gz SYZHYCFDXGRJON-ZBRFXRBCSA-N 2 1 360.502 0.672 10 30 FCEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](CC)[NH+](C)C)C2 ZINC001490872086 1212879638 /nfs/dbraw/zinc/87/96/38/1212879638.db2.gz SYZHYCFDXGRJON-ZBRFXRBCSA-N 2 1 360.502 0.672 10 30 FCEEMP C=C(C)Cn1c(C2=[NH+]O[C@H](CO)C2)nnc1N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC001122591772 1222283579 /nfs/dbraw/zinc/28/35/79/1222283579.db2.gz SSBRYLUWISWRSY-IJEWVQPXSA-N 2 1 360.462 0.870 10 30 FCEEMP N#Cc1ccc(OC[C@H](O)C[N@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000923413043 1245717715 /nfs/dbraw/zinc/71/77/15/1245717715.db2.gz CJFBATMZRAHYJD-IDCNUPLLSA-N 2 1 372.425 0.165 10 30 FCEEMP C#CCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001273027178 1260568205 /nfs/dbraw/zinc/56/82/05/1260568205.db2.gz PKEWNWLWFNXIHJ-QRQLOZEOSA-N 2 1 370.497 0.566 10 30 FCEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001289406047 1262194851 /nfs/dbraw/zinc/19/48/51/1262194851.db2.gz NBOKEUFXIFZJKV-ZJPYXAASSA-N 2 1 362.518 0.633 10 30 FCEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001289406047 1262194858 /nfs/dbraw/zinc/19/48/58/1262194858.db2.gz NBOKEUFXIFZJKV-ZJPYXAASSA-N 2 1 362.518 0.633 10 30 FCEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@H]1C ZINC001290938493 1262539567 /nfs/dbraw/zinc/53/95/67/1262539567.db2.gz OYQPXOLOOJNRCF-KURKYZTESA-N 2 1 362.518 0.637 10 30 FCEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@H]1C ZINC001290938493 1262539569 /nfs/dbraw/zinc/53/95/69/1262539569.db2.gz OYQPXOLOOJNRCF-KURKYZTESA-N 2 1 362.518 0.637 10 30 FCEEMP C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[N@H+](C)CCC)C3)CC1 ZINC001291957237 1262620080 /nfs/dbraw/zinc/62/00/80/1262620080.db2.gz QZWMJCAPNNXIBW-QYZOEREBSA-N 2 1 374.529 0.922 10 30 FCEEMP CCO[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1C[NH2+]CC#CCOC ZINC001316688648 1263421644 /nfs/dbraw/zinc/42/16/44/1263421644.db2.gz QGDHVYFLCFZZHR-CEXWTWQISA-N 2 1 365.518 0.962 10 30 FCEEMP C=CCNC(=O)[C@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001485685553 1263513870 /nfs/dbraw/zinc/51/38/70/1263513870.db2.gz WSDWSHSKHGYJLS-QUSNUVHPSA-N 2 1 350.507 0.892 10 30 FCEEMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc2cc(F)ccc2C#N)CC[N@@H+]1C ZINC001496978957 1263906103 /nfs/dbraw/zinc/90/61/03/1263906103.db2.gz MESUIEOGVBWGGR-OKZBNKHCSA-N 2 1 362.449 0.994 10 30 FCEEMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc2cc(F)ccc2C#N)CC[N@H+]1C ZINC001496978957 1263906110 /nfs/dbraw/zinc/90/61/10/1263906110.db2.gz MESUIEOGVBWGGR-OKZBNKHCSA-N 2 1 362.449 0.994 10 30 FCEEMP C#CCNC(=O)C[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@@]2(C)C1 ZINC001506865132 1264344976 /nfs/dbraw/zinc/34/49/76/1264344976.db2.gz VRJYEHVIXJXVHP-SMOSDQRPSA-N 2 1 360.502 0.246 10 30 FCEEMP C#CCNC(=O)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@@]2(C)C1 ZINC001506865132 1264344988 /nfs/dbraw/zinc/34/49/88/1264344988.db2.gz VRJYEHVIXJXVHP-SMOSDQRPSA-N 2 1 360.502 0.246 10 30 FCEEMP C#CCNC(=O)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@@]2(C)C1 ZINC001506865132 1264344999 /nfs/dbraw/zinc/34/49/99/1264344999.db2.gz VRJYEHVIXJXVHP-SMOSDQRPSA-N 2 1 360.502 0.246 10 30 FCEEMP C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1c1cnn(C)c1 ZINC001565926885 1269522967 /nfs/dbraw/zinc/52/29/67/1269522967.db2.gz DUORYXSOVLEQAQ-BPQIPLTHSA-N 2 1 361.490 0.458 10 30 FCEEMP C#CCNC(=O)C[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001565987994 1269540311 /nfs/dbraw/zinc/54/03/11/1269540311.db2.gz NIIPFEAZKCOUKP-KZNAEPCWSA-N 2 1 362.518 0.684 10 30 FCEEMP C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001566663171 1269656816 /nfs/dbraw/zinc/65/68/16/1269656816.db2.gz VTKLMGWFVHQLPI-IXDOHACOSA-N 2 1 350.507 0.942 10 30 FCEEMP C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001566663171 1269656828 /nfs/dbraw/zinc/65/68/28/1269656828.db2.gz VTKLMGWFVHQLPI-IXDOHACOSA-N 2 1 350.507 0.942 10 30 FCEEMP C=C(C)CN(CC)C(=O)C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001566663171 1269656837 /nfs/dbraw/zinc/65/68/37/1269656837.db2.gz VTKLMGWFVHQLPI-IXDOHACOSA-N 2 1 350.507 0.942 10 30 FCEEMP C=C(C)CN(CC)C(=O)C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001566663171 1269656844 /nfs/dbraw/zinc/65/68/44/1269656844.db2.gz VTKLMGWFVHQLPI-IXDOHACOSA-N 2 1 350.507 0.942 10 30 FCEEMP COCC#CCN1CC[NH+](CCCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001713797920 1287298070 /nfs/dbraw/zinc/29/80/70/1287298070.db2.gz LEDNOCIGYDRMSW-QZTJIDSGSA-N 2 1 350.507 0.100 10 30 FCEEMP C#CC[NH+]1CCC(C(=O)N(CC)CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001581100029 1279385139 /nfs/dbraw/zinc/38/51/39/1279385139.db2.gz PJULZNUIPDARHT-SJLPKXTDSA-N 2 1 362.518 0.637 10 30 FCEEMP C=CCOCC[NH+]1CCC[C@@](CO)(NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001717023216 1287403576 /nfs/dbraw/zinc/40/35/76/1287403576.db2.gz LVGWAZITLMFLIC-YQVWRLOYSA-N 2 1 353.507 0.862 10 30 FCEEMP C=CCOCC[N@H+]1CCC[C@@](CO)(NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001717023216 1287403583 /nfs/dbraw/zinc/40/35/83/1287403583.db2.gz LVGWAZITLMFLIC-YQVWRLOYSA-N 2 1 353.507 0.862 10 30 FCEEMP C=CCOCC[N@@H+]1CCC[C@@](CO)(NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001717023216 1287403594 /nfs/dbraw/zinc/40/35/94/1287403594.db2.gz LVGWAZITLMFLIC-YQVWRLOYSA-N 2 1 353.507 0.862 10 30 FCEEMP C#CC[NH+]1CCC(C(=O)N(C)CCN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001582950040 1282057130 /nfs/dbraw/zinc/05/71/30/1282057130.db2.gz MQUBCRRDSMUGJJ-SJLPKXTDSA-N 2 1 362.518 0.589 10 30 FCEEMP C#CC[N@H+](C)CCCNC(=O)[C@@H](CC[NH+](C)C)NC(=O)OC(C)(C)C ZINC001637962630 1282645797 /nfs/dbraw/zinc/64/57/97/1282645797.db2.gz GLVUDPISQYPLMR-OAHLLOKOSA-N 2 1 354.495 0.903 10 30 FCEEMP C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@H]1C ZINC001707258727 1287112464 /nfs/dbraw/zinc/11/24/64/1287112464.db2.gz WJJBFHYZJMCBPM-APWZRJJASA-N 2 1 370.497 0.733 10 30 FCEEMP C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@H]1C ZINC001707258727 1287112468 /nfs/dbraw/zinc/11/24/68/1287112468.db2.gz WJJBFHYZJMCBPM-APWZRJJASA-N 2 1 370.497 0.733 10 30 FCEEMP C=CCNC(=O)C[NH+]1CC[C@H](N(CC)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001732184028 1288577221 /nfs/dbraw/zinc/57/72/21/1288577221.db2.gz QZKKJFSQRUCBMD-YESZJQIVSA-N 2 1 350.507 0.942 10 30 FCEEMP C=CCNC(=O)C[NH+]1CC[C@H](N(CC)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001732184028 1288577223 /nfs/dbraw/zinc/57/72/23/1288577223.db2.gz QZKKJFSQRUCBMD-YESZJQIVSA-N 2 1 350.507 0.942 10 30 FCEEMP C=CCNC(=O)C[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001732184028 1288577226 /nfs/dbraw/zinc/57/72/26/1288577226.db2.gz QZKKJFSQRUCBMD-YESZJQIVSA-N 2 1 350.507 0.942 10 30 FCEEMP C=CCNC(=O)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001732184028 1288577228 /nfs/dbraw/zinc/57/72/28/1288577228.db2.gz QZKKJFSQRUCBMD-YESZJQIVSA-N 2 1 350.507 0.942 10 30 FCEEMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](CC[NH2+]CC(=O)NCC#N)C2)CC[N@H+]1C ZINC001732274676 1288580262 /nfs/dbraw/zinc/58/02/62/1288580262.db2.gz LAZBDLAITISUNA-IXDOHACOSA-N 2 1 363.506 0.575 10 30 FCEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+](C)CCC)C2 ZINC001740380385 1290549965 /nfs/dbraw/zinc/54/99/65/1290549965.db2.gz VDPBTMNWCSJNAM-BDXSIMOUSA-N 2 1 360.502 0.674 10 30 FCEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+](C)CCC)C2 ZINC001740380385 1290549973 /nfs/dbraw/zinc/54/99/73/1290549973.db2.gz VDPBTMNWCSJNAM-BDXSIMOUSA-N 2 1 360.502 0.674 10 30 FCEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)CCC)C2 ZINC001740380385 1290549980 /nfs/dbraw/zinc/54/99/80/1290549980.db2.gz VDPBTMNWCSJNAM-BDXSIMOUSA-N 2 1 360.502 0.674 10 30 FCEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)CCC)C2 ZINC001740380385 1290549984 /nfs/dbraw/zinc/54/99/84/1290549984.db2.gz VDPBTMNWCSJNAM-BDXSIMOUSA-N 2 1 360.502 0.674 10 30 FCEEMP C#CCNC(=O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001656537957 1291541789 /nfs/dbraw/zinc/54/17/89/1291541789.db2.gz GGKRSXOUVZJHAO-FGTMMUONSA-N 2 1 362.518 0.825 10 30 FCEEMP C#CC[NH+]1CCC(C(=O)NCCCNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001687039007 1292978386 /nfs/dbraw/zinc/97/83/86/1292978386.db2.gz OFOSBSFATGQNNI-ZWKOTPCHSA-N 2 1 362.518 0.684 10 30 FCEEMP C#CCNC(=O)CN(C)CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C(C)C ZINC001332708424 873624514 /nfs/dbraw/zinc/62/45/14/873624514.db2.gz ZLFYOXVRRCWDFC-DLBZAZTESA-N 2 1 350.507 0.635 10 30 FCEEMP C#CCN(C(=O)C(=O)NCCC[N@H+](C)CC(C)C)C1CC[NH+](C)CC1 ZINC000930933272 674076460 /nfs/dbraw/zinc/07/64/60/674076460.db2.gz OYURLZGILXCDPK-UHFFFAOYSA-N 2 1 350.507 0.637 10 30 FCEEMP Cc1nc(C#N)c(N2CCN(C(=O)CN(C)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)o1 ZINC000247112074 488481871 /nfs/dbraw/zinc/48/18/71/488481871.db2.gz YKTRVMHLIWMDRD-HOCLYGCPSA-N 2 1 374.489 0.918 10 30 FCEEMP C[NH+]=C(NCc1ccc(S(N)(=O)=O)s1)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000245595272 526384179 /nfs/dbraw/zinc/38/41/79/526384179.db2.gz HIMPPIRFMPULLS-DGCLKSJQSA-N 2 1 373.548 0.789 10 30 FCEEMP CC[NH+]=C(NC[C@@H]1C[N@@H+](C)CCN1C)N1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000261813264 528810918 /nfs/dbraw/zinc/81/09/18/528810918.db2.gz HTWPAQIOJWAVHQ-MRXNPFEDSA-N 2 1 366.554 0.529 10 30 FCEEMP CC[NH+]=C(NC[C@@H]1C[N@@H+](C)CCN1C)N1CC[C@@H](Oc2ccccn2)C1 ZINC000261942037 528812128 /nfs/dbraw/zinc/81/21/28/528812128.db2.gz DRVDUIPVKWFELV-IAGOWNOFSA-N 2 1 360.506 0.746 10 30 FCEEMP CC[NH+]=C(NC[C@H]1CCCN1S(C)(=O)=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000158237521 528814024 /nfs/dbraw/zinc/81/40/24/528814024.db2.gz NAMZDMAOZPSYQL-ARFHVFGLSA-N 2 1 373.567 0.694 10 30 FCEEMP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(NCC(=O)N(C)C)=[NH+]C2CCOCC2)C1 ZINC000262339382 529090448 /nfs/dbraw/zinc/09/04/48/529090448.db2.gz WVBXLNICTSZSLN-GDBMZVCRSA-N 2 1 353.511 0.518 10 30 FCEEMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH2+]CC(=O)N(CC)CCC#N)C2)CC[N@H+]1C ZINC001266527026 1169076655 /nfs/dbraw/zinc/07/66/55/1169076655.db2.gz BTZOXGHASPSSJI-YESZJQIVSA-N 2 1 363.506 0.669 10 30 FCEEMP C#CCNC(=O)C[NH2+]Cc1ccc(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)cc1 ZINC001270060472 1187982794 /nfs/dbraw/zinc/98/27/94/1187982794.db2.gz NQGFOIVQXWQJMN-RBUKOAKNSA-N 2 1 370.497 0.872 10 30 FCEEMP CCC(=O)N[C@@H]1CCCN(CC#CC[N@@H+]2CCC[C@@H](NC(=O)CC)C2)C1 ZINC000551700119 1193867392 /nfs/dbraw/zinc/86/73/92/1193867392.db2.gz WYIVCJBEQQGCED-QZTJIDSGSA-N 2 1 362.518 0.971 10 30 FCEEMP CCC(=O)N[C@@H]1CCCN(CC#CC[N@H+]2CCC[C@@H](NC(=O)CC)C2)C1 ZINC000551700119 1193867394 /nfs/dbraw/zinc/86/73/94/1193867394.db2.gz WYIVCJBEQQGCED-QZTJIDSGSA-N 2 1 362.518 0.971 10 30 FCEEMP C#CCN(C(=O)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2)C1CC[NH+](C)CC1 ZINC000910887073 1195858016 /nfs/dbraw/zinc/85/80/16/1195858016.db2.gz YVUNKEQXGJFFLN-FQEVSTJZSA-N 2 1 360.502 0.487 10 30 FCEEMP C#CCN(C(=O)C(=O)N(C)CCCn1cc[nH+]c1C)C1CC[NH+](C)CC1 ZINC000910888354 1195858454 /nfs/dbraw/zinc/85/84/54/1195858454.db2.gz ZJDPFIGTHSWZAH-UHFFFAOYSA-N 2 1 359.474 0.596 10 30 FCEEMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C[C@H]1c1cnn(C)c1 ZINC001488982236 1208599518 /nfs/dbraw/zinc/59/95/18/1208599518.db2.gz NQTIKIRDKAMVDC-KSZLIROESA-N 2 1 361.490 0.601 10 30 FCEEMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C[C@H]1c1cnn(C)c1 ZINC001488982236 1208599525 /nfs/dbraw/zinc/59/95/25/1208599525.db2.gz NQTIKIRDKAMVDC-KSZLIROESA-N 2 1 361.490 0.601 10 30 FCEEMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCOCCOC)[C@@H]2C)CC1 ZINC001489311642 1208786229 /nfs/dbraw/zinc/78/62/29/1208786229.db2.gz HCSUOEXTYAKNKM-AEFFLSMTSA-N 2 1 351.491 0.574 10 30 FCEEMP C#CCN(C(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12)C1CC[NH+](C)CC1 ZINC000930956455 1211731040 /nfs/dbraw/zinc/73/10/40/1211731040.db2.gz DNFZEJBHXYDHIJ-ROUUACIJSA-N 2 1 360.502 0.676 10 30 FCEEMP N#Cc1ccc(OC[C@@H](O)C[N@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000923413039 1245717773 /nfs/dbraw/zinc/71/77/73/1245717773.db2.gz CJFBATMZRAHYJD-ATLSCFEFSA-N 2 1 372.425 0.165 10 30 FCEEMP C=CCNC(=O)CN1CCCC2(CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)C1 ZINC001330485234 1266036631 /nfs/dbraw/zinc/03/66/31/1266036631.db2.gz DPQOYSAOUPCEHJ-DLBZAZTESA-N 2 1 362.518 0.943 10 30 FCEEMP C=CCNC(=O)C[NH+]1CCCC2(CN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)C1 ZINC001330485234 1266036640 /nfs/dbraw/zinc/03/66/40/1266036640.db2.gz DPQOYSAOUPCEHJ-DLBZAZTESA-N 2 1 362.518 0.943 10 30 FCEEMP C=CCNC(=O)C[NH+]1CCCC2(CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)C1 ZINC001330485234 1266036647 /nfs/dbraw/zinc/03/66/47/1266036647.db2.gz DPQOYSAOUPCEHJ-DLBZAZTESA-N 2 1 362.518 0.943 10 30 FCEEMP C=CCNC(=O)C[N@H+]1CCCC2(CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC001330485234 1266036659 /nfs/dbraw/zinc/03/66/59/1266036659.db2.gz DPQOYSAOUPCEHJ-DLBZAZTESA-N 2 1 362.518 0.943 10 30 FCEEMP C=CCNC(=O)C[N@@H+]1CCCC2(CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC001330485234 1266036666 /nfs/dbraw/zinc/03/66/66/1266036666.db2.gz DPQOYSAOUPCEHJ-DLBZAZTESA-N 2 1 362.518 0.943 10 30 FCEEMP C=CCNC(=O)[C@H](C)[NH+]1C[C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C[C@H]2C1 ZINC001279362553 1260849389 /nfs/dbraw/zinc/84/93/89/1260849389.db2.gz HKSBTALHVKXMOO-IECFSIQFSA-N 2 1 362.518 0.798 10 30 FCEEMP C=CCNC(=O)[C@H](C)[N@H+]1C[C@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C[C@H]2C1 ZINC001279362553 1260849394 /nfs/dbraw/zinc/84/93/94/1260849394.db2.gz HKSBTALHVKXMOO-IECFSIQFSA-N 2 1 362.518 0.798 10 30 FCEEMP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C[C@H]2C1 ZINC001279362553 1260849399 /nfs/dbraw/zinc/84/93/99/1260849399.db2.gz HKSBTALHVKXMOO-IECFSIQFSA-N 2 1 362.518 0.798 10 30 FCEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C2 ZINC001292142150 1262653649 /nfs/dbraw/zinc/65/36/49/1262653649.db2.gz SYZHYCFDXGRJON-DZVNLGKHSA-N 2 1 360.502 0.672 10 30 FCEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C2 ZINC001292142150 1262653654 /nfs/dbraw/zinc/65/36/54/1262653654.db2.gz SYZHYCFDXGRJON-DZVNLGKHSA-N 2 1 360.502 0.672 10 30 FCEEMP COCC#CC[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1c1cnn(C)c1 ZINC001479501042 1263224795 /nfs/dbraw/zinc/22/47/95/1263224795.db2.gz COCNTLJHVVMEEW-ZWKOTPCHSA-N 2 1 370.457 0.159 10 30 FCEEMP C=CCN1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)Cn3cc[nH+]c3C)C2)C1=O ZINC001316666041 1263408263 /nfs/dbraw/zinc/40/82/63/1263408263.db2.gz CZYKNBBLJNDGLK-BBWFWOEESA-N 2 1 359.474 0.853 10 30 FCEEMP C#CCNC(=O)C[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001483831489 1263447786 /nfs/dbraw/zinc/44/77/86/1263447786.db2.gz YOBYNMKKMKBNPD-HLIPFELVSA-N 2 1 360.502 0.391 10 30 FCEEMP C#CCNC(=O)C[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001483831489 1263447791 /nfs/dbraw/zinc/44/77/91/1263447791.db2.gz YOBYNMKKMKBNPD-HLIPFELVSA-N 2 1 360.502 0.391 10 30 FCEEMP C#CCNC(=O)C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001483831489 1263447800 /nfs/dbraw/zinc/44/78/00/1263447800.db2.gz YOBYNMKKMKBNPD-HLIPFELVSA-N 2 1 360.502 0.391 10 30 FCEEMP CC[C@@H]1[C@@H](C(=O)N2CCCC[C@H]2C[NH+](C)CC(=O)NCC#N)CC[N@@H+]1C ZINC001316802670 1263491004 /nfs/dbraw/zinc/49/10/04/1263491004.db2.gz OAPUAYQNJGCUKU-YESZJQIVSA-N 2 1 363.506 0.669 10 30 FCEEMP CC[C@@H]1[C@@H](C(=O)N2CCCC[C@H]2C[NH+](C)CC(=O)NCC#N)CC[N@H+]1C ZINC001316802670 1263491010 /nfs/dbraw/zinc/49/10/10/1263491010.db2.gz OAPUAYQNJGCUKU-YESZJQIVSA-N 2 1 363.506 0.669 10 30 FCEEMP CC[C@@H]1[C@@H](C(=O)N2CCCC[C@H]2C[N@H+](C)CC(=O)NCC#N)CC[NH+]1C ZINC001316802670 1263491016 /nfs/dbraw/zinc/49/10/16/1263491016.db2.gz OAPUAYQNJGCUKU-YESZJQIVSA-N 2 1 363.506 0.669 10 30 FCEEMP CC[C@@H]1[C@@H](C(=O)N2CCCC[C@H]2C[N@@H+](C)CC(=O)NCC#N)CC[NH+]1C ZINC001316802670 1263491024 /nfs/dbraw/zinc/49/10/24/1263491024.db2.gz OAPUAYQNJGCUKU-YESZJQIVSA-N 2 1 363.506 0.669 10 30 FCEEMP CC[C@@H]1[C@@H](C(=O)NC[C@H]([NH2+]CC(=O)NCC#N)c2ccccc2)CC[N@@H+]1C ZINC001493889634 1263745806 /nfs/dbraw/zinc/74/58/06/1263745806.db2.gz UIUDRLQMYDUNHT-OKZBNKHCSA-N 2 1 371.485 0.804 10 30 FCEEMP CC[C@@H]1[C@@H](C(=O)NC[C@H]([NH2+]CC(=O)NCC#N)c2ccccc2)CC[N@H+]1C ZINC001493889634 1263745814 /nfs/dbraw/zinc/74/58/14/1263745814.db2.gz UIUDRLQMYDUNHT-OKZBNKHCSA-N 2 1 371.485 0.804 10 30 FCEEMP C=CCNC(=O)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3cncn3C)C2)C1 ZINC001323860143 1264529960 /nfs/dbraw/zinc/52/99/60/1264529960.db2.gz NYICVKWJYGLAFT-JXXFODFXSA-N 2 1 371.485 0.750 10 30 FCEEMP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](NC(=O)C[N@H+](C)CCC)C2)CC1 ZINC001513268533 1265007796 /nfs/dbraw/zinc/00/77/96/1265007796.db2.gz XJPIMMKAKNGZNR-SJLPKXTDSA-N 2 1 362.518 0.637 10 30 FCEEMP N#CC1CCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)CC1 ZINC001334822910 1267190228 /nfs/dbraw/zinc/19/02/28/1267190228.db2.gz KRIHFTNNCQBKLA-CALCHBBNSA-N 2 1 359.474 0.176 10 30 FCEEMP N#CC1CCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)CC1 ZINC001334822910 1267190231 /nfs/dbraw/zinc/19/02/31/1267190231.db2.gz KRIHFTNNCQBKLA-CALCHBBNSA-N 2 1 359.474 0.176 10 30 FCEEMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC23CC[NH+](CC(=O)NCC#N)CC3)CC[N@@H+]1C ZINC001566689513 1269656876 /nfs/dbraw/zinc/65/68/76/1269656876.db2.gz OPSRVTQVKQTFMV-ARFHVFGLSA-N 2 1 361.490 0.327 10 30 FCEEMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC23CC[NH+](CC(=O)NCC#N)CC3)CC[N@H+]1C ZINC001566689513 1269656884 /nfs/dbraw/zinc/65/68/84/1269656884.db2.gz OPSRVTQVKQTFMV-ARFHVFGLSA-N 2 1 361.490 0.327 10 30 FCEEMP CCN(CCC#N)C(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001714000825 1287310670 /nfs/dbraw/zinc/31/06/70/1287310670.db2.gz JRDKZZCPOWPQOF-BRWVUGGUSA-N 2 1 363.506 0.621 10 30 FCEEMP CCN(CCC#N)C(=O)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001714000825 1287310675 /nfs/dbraw/zinc/31/06/75/1287310675.db2.gz JRDKZZCPOWPQOF-BRWVUGGUSA-N 2 1 363.506 0.621 10 30 FCEEMP CCN(CCC#N)C(=O)C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001714000825 1287310681 /nfs/dbraw/zinc/31/06/81/1287310681.db2.gz JRDKZZCPOWPQOF-BRWVUGGUSA-N 2 1 363.506 0.621 10 30 FCEEMP CCN(CCC#N)C(=O)C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001714000825 1287310684 /nfs/dbraw/zinc/31/06/84/1287310684.db2.gz JRDKZZCPOWPQOF-BRWVUGGUSA-N 2 1 363.506 0.621 10 30 FCEEMP C#CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C1CC[NH+](C[C@H](O)COC)CC1 ZINC001716806370 1287389799 /nfs/dbraw/zinc/38/97/99/1287389799.db2.gz WVMLSWOVORUWHO-GBESFXJTSA-N 2 1 365.518 0.650 10 30 FCEEMP CC[C@@H]1[C@@H](C(=O)N[C@H](C[NH2+]CC(=O)NCC#N)C2CCCC2)CC[N@H+]1C ZINC001716816750 1287390846 /nfs/dbraw/zinc/39/08/46/1287390846.db2.gz AQTCBHOBUASRTF-GVDBMIGSSA-N 2 1 363.506 0.621 10 30 FCEEMP CCN(CCC#N)C(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001707102439 1286443478 /nfs/dbraw/zinc/44/34/78/1286443478.db2.gz GLTIQAXVBPZUOD-BBWFWOEESA-N 2 1 363.506 0.717 10 30 FCEEMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](C[NH+](C)CC(=O)NCC#N)C2)CC[N@H+]1C ZINC001731412579 1288556214 /nfs/dbraw/zinc/55/62/14/1288556214.db2.gz ABTMXQAPLDLMCG-IXDOHACOSA-N 2 1 363.506 0.527 10 30 FCEEMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](C[N@H+](C)CC(=O)NCC#N)C2)CC[NH+]1C ZINC001731412579 1288556219 /nfs/dbraw/zinc/55/62/19/1288556219.db2.gz ABTMXQAPLDLMCG-IXDOHACOSA-N 2 1 363.506 0.527 10 30 FCEEMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](C[N@@H+](C)CC(=O)NCC#N)C2)CC[NH+]1C ZINC001731412579 1288556223 /nfs/dbraw/zinc/55/62/23/1288556223.db2.gz ABTMXQAPLDLMCG-IXDOHACOSA-N 2 1 363.506 0.527 10 30 FCEEMP C[C@@H]1[C@H](C(=O)N2C[C@]3(C)C[NH+](CC(=O)NCC#N)C[C@]3(C)C2)CC[N@@H+]1C ZINC001700622305 1289599982 /nfs/dbraw/zinc/59/99/82/1289599982.db2.gz CHCNLFRSLSWTOV-RGCFKVTRSA-N 2 1 361.490 0.137 10 30 FCEEMP C[C@@H]1[C@H](C(=O)N2C[C@]3(C)C[NH+](CC(=O)NCC#N)C[C@]3(C)C2)CC[N@H+]1C ZINC001700622305 1289599991 /nfs/dbraw/zinc/59/99/91/1289599991.db2.gz CHCNLFRSLSWTOV-RGCFKVTRSA-N 2 1 361.490 0.137 10 30 FCEEMP C[C@@H]1[C@H](C(=O)N2C[C@]3(C)C[N@H+](CC(=O)NCC#N)C[C@]3(C)C2)CC[NH+]1C ZINC001700622305 1289599996 /nfs/dbraw/zinc/59/99/96/1289599996.db2.gz CHCNLFRSLSWTOV-RGCFKVTRSA-N 2 1 361.490 0.137 10 30 FCEEMP C[C@@H]1[C@H](C(=O)N2C[C@]3(C)C[N@@H+](CC(=O)NCC#N)C[C@]3(C)C2)CC[NH+]1C ZINC001700622305 1289600004 /nfs/dbraw/zinc/60/00/04/1289600004.db2.gz CHCNLFRSLSWTOV-RGCFKVTRSA-N 2 1 361.490 0.137 10 30 FCEEMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1c1cnn(C)c1 ZINC001656401748 1291519264 /nfs/dbraw/zinc/51/92/64/1291519264.db2.gz FPQYIGOXRCFCMS-RCCFBDPRSA-N 2 1 361.490 0.601 10 30 FCEEMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1c1cnn(C)c1 ZINC001656401748 1291519268 /nfs/dbraw/zinc/51/92/68/1291519268.db2.gz FPQYIGOXRCFCMS-RCCFBDPRSA-N 2 1 361.490 0.601 10 30 FCEEMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C[C@H]1c1cnn(C)c1 ZINC001656417537 1291523100 /nfs/dbraw/zinc/52/31/00/1291523100.db2.gz WXEQWZFNQOMRID-KSZLIROESA-N 2 1 359.474 0.048 10 30 FCEEMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C[C@H]1c1cnn(C)c1 ZINC001656417537 1291523107 /nfs/dbraw/zinc/52/31/07/1291523107.db2.gz WXEQWZFNQOMRID-KSZLIROESA-N 2 1 359.474 0.048 10 30 FCEEMP C[NH+](C)CC#CCNC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC001687889432 1293026025 /nfs/dbraw/zinc/02/60/25/1293026025.db2.gz XTCIAZFEJWSBHA-RBUKOAKNSA-N 2 1 358.486 0.734 10 30 FCEEMP C=CCOCC[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@@H]2C1 ZINC001264098461 859310314 /nfs/dbraw/zinc/31/03/14/859310314.db2.gz KUOUOPGBZJUQFV-MSOLQXFVSA-N 2 1 351.491 0.692 10 30 FCEEMP C=CCOCC[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@@H]2C1 ZINC001264098461 859310319 /nfs/dbraw/zinc/31/03/19/859310319.db2.gz KUOUOPGBZJUQFV-MSOLQXFVSA-N 2 1 351.491 0.692 10 30 FCEEMP CC[C@@H]1[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)CC[N@H+]1CC#CCOC ZINC001264625956 859404805 /nfs/dbraw/zinc/40/48/05/859404805.db2.gz PQSQPTKSLVZNCJ-FGTMMUONSA-N 2 1 351.491 0.574 10 30 FCEEMP C=CCNC(=O)C[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001271535535 859965143 /nfs/dbraw/zinc/96/51/43/859965143.db2.gz ZKEBDSUSLKFYOT-BRWVUGGUSA-N 2 1 350.507 0.990 10 30 FCEEMP CCc1nc2n(n1)C[C@H](NC(NC[C@]1([NH+](C)C)CCSC1)=[NH+]C)CC2 ZINC000262816189 529751173 /nfs/dbraw/zinc/75/11/73/529751173.db2.gz VWCHJJPCKDMEJX-CXAGYDPISA-N 2 1 365.551 0.758 10 30 FCEEMP CN(CCC#N)C(=O)CC[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000131869464 529867067 /nfs/dbraw/zinc/86/70/67/529867067.db2.gz ZGZAJEFUQZORGI-UHFFFAOYSA-N 2 1 363.506 0.625 10 30 FCEEMP C=CC[NH+]1CCC(NC(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)CC1 ZINC000473962011 250259624 /nfs/dbraw/zinc/25/96/24/250259624.db2.gz YREZEICNXAFPNI-UHFFFAOYSA-N 2 1 351.495 0.442 10 30 FCEEMP CN(C)C(=O)CNC(N[C@H]1CC[N@H+](C2CCCC2)C1)=[NH+]C1CCOCC1 ZINC000262317039 229301903 /nfs/dbraw/zinc/30/19/03/229301903.db2.gz QXXWNWZAMMKYAQ-INIZCTEOSA-N 2 1 365.522 0.806 10 30 FCEEMP C[NH+]=C(NCC1([NH+]2CCCCC2)CCN(C)CC1)N[C@@H]1CCC(=O)NC1 ZINC000262824442 526351930 /nfs/dbraw/zinc/35/19/30/526351930.db2.gz ZITTUWALPSEBND-MRXNPFEDSA-N 2 1 364.538 0.380 10 30 FCEEMP C[NH+]=C(NC[C@@H]1C[N@@H+](CC(C)C)CCO1)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000261744574 526373149 /nfs/dbraw/zinc/37/31/49/526373149.db2.gz LCNZXMVKPRHWHA-VQIMIIECSA-N 2 1 365.522 0.521 10 30 FCEEMP CC[NH+]=C(NCCN1CCC[N@@H+](C)CC1)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000261735217 528805286 /nfs/dbraw/zinc/80/52/86/528805286.db2.gz JWLZCKUVMUISBU-IBGZPJMESA-N 2 1 364.538 0.192 10 30 FCEEMP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C)C1 ZINC000923599261 667226738 /nfs/dbraw/zinc/22/67/38/667226738.db2.gz SRFSMKHHFIYIOS-CABCVRRESA-N 2 1 352.479 0.655 10 30 FCEEMP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C)C1 ZINC000923599261 667226741 /nfs/dbraw/zinc/22/67/41/667226741.db2.gz SRFSMKHHFIYIOS-CABCVRRESA-N 2 1 352.479 0.655 10 30 FCEEMP C=C(Cl)C[C@H]([NH3+])C(=O)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000876750665 672976603 /nfs/dbraw/zinc/97/66/03/672976603.db2.gz QXBRIEVIOJEKJM-INIZCTEOSA-N 2 1 364.877 0.917 10 30 FCEEMP C#CCNC(=O)C[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001267486801 1181334071 /nfs/dbraw/zinc/33/40/71/1181334071.db2.gz LFRUJVINZJAUJB-BPQIPLTHSA-N 2 1 362.518 0.683 10 30 FCEEMP CCN(CCC#N)C(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001481093574 1182281654 /nfs/dbraw/zinc/28/16/54/1182281654.db2.gz FLHWKHDKKXHPSV-IXDOHACOSA-N 2 1 363.506 0.527 10 30 FCEEMP CCN(CCC#N)C(=O)C[NH+]1CC[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001481093574 1182281661 /nfs/dbraw/zinc/28/16/61/1182281661.db2.gz FLHWKHDKKXHPSV-IXDOHACOSA-N 2 1 363.506 0.527 10 30 FCEEMP CCN(CCC#N)C(=O)C[NH+]1CC[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001481093574 1182281664 /nfs/dbraw/zinc/28/16/64/1182281664.db2.gz FLHWKHDKKXHPSV-IXDOHACOSA-N 2 1 363.506 0.527 10 30 FCEEMP C#CCN(C(=O)C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1)C1CC[NH+](C)CC1 ZINC000910887760 1195858334 /nfs/dbraw/zinc/85/83/34/1195858334.db2.gz UHSIZXARBCXXBD-GOSISDBHSA-N 2 1 374.529 0.733 10 30 FCEEMP C=CCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C[C@@H]2C1 ZINC001489200195 1208662120 /nfs/dbraw/zinc/66/21/20/1208662120.db2.gz IYEOZQIIJBOABP-FJIDUMEYSA-N 2 1 362.518 0.799 10 30 FCEEMP C=CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C[C@@H]2C1 ZINC001489200195 1208662122 /nfs/dbraw/zinc/66/21/22/1208662122.db2.gz IYEOZQIIJBOABP-FJIDUMEYSA-N 2 1 362.518 0.799 10 30 FCEEMP C=CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C[C@@H]2C1 ZINC001489200195 1208662125 /nfs/dbraw/zinc/66/21/25/1208662125.db2.gz IYEOZQIIJBOABP-FJIDUMEYSA-N 2 1 362.518 0.799 10 30 FCEEMP C#CC[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(C[C@H]3CCC[N@@H+]3CC)C2)CC1 ZINC000928654936 1211608435 /nfs/dbraw/zinc/60/84/35/1211608435.db2.gz IHVVLEPGIGWWSX-SJLPKXTDSA-N 2 1 360.502 0.533 10 30 FCEEMP C#CCN(C(=O)C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1)C1CC[NH+](C)CC1 ZINC000929791118 1211661639 /nfs/dbraw/zinc/66/16/39/1211661639.db2.gz CECYZFGBYUVTEV-QGZVFWFLSA-N 2 1 362.518 0.779 10 30 FCEEMP C#CC[N@@H+](CCO[C@H]1CCOC1)C1CCN(CCO[C@H]2CCOC2)CC1 ZINC000931590137 1211762001 /nfs/dbraw/zinc/76/20/01/1211762001.db2.gz GNZQGIFOPGKPQV-PMACEKPBSA-N 2 1 366.502 0.997 10 30 FCEEMP C#CCN(CCO[C@H]1CCOC1)C1CC[NH+](CCO[C@H]2CCOC2)CC1 ZINC000931590137 1211762003 /nfs/dbraw/zinc/76/20/03/1211762003.db2.gz GNZQGIFOPGKPQV-PMACEKPBSA-N 2 1 366.502 0.997 10 30 FCEEMP C=C1[C@H](C(=O)NC[C@H]2CC[N@H+](CC)C2)[C@H]1C(=O)NC[C@@H]1CC[NH+](CC)C1 ZINC000900307511 1217977550 /nfs/dbraw/zinc/97/75/50/1217977550.db2.gz KYHRLYWAQDXAPT-MHORFTMASA-N 2 1 362.518 0.705 10 30 FCEEMP C=C1[C@H](C(=O)NC[C@H]2CC[NH+](CC)C2)[C@H]1C(=O)NC[C@@H]1CC[N@H+](CC)C1 ZINC000900307511 1217977560 /nfs/dbraw/zinc/97/75/60/1217977560.db2.gz KYHRLYWAQDXAPT-MHORFTMASA-N 2 1 362.518 0.705 10 30 FCEEMP C=C1[C@H](C(=O)NC[C@H]2CC[NH+](CC)C2)[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CC)C1 ZINC000900307511 1217977567 /nfs/dbraw/zinc/97/75/67/1217977567.db2.gz KYHRLYWAQDXAPT-MHORFTMASA-N 2 1 362.518 0.705 10 30 FCEEMP C=C1[C@@H](C(=O)NCCn2cc[nH+]c2C)[C@@H]1C(=O)NCCn1cc[nH+]c1C ZINC000900448414 1245474352 /nfs/dbraw/zinc/47/43/52/1245474352.db2.gz KRDMTWMOZVZDTG-HZPDHXFCSA-N 2 1 356.430 0.431 10 30 FCEEMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)C[N@H+](C)CCC)C[C@H]2C)CC1 ZINC001281769336 1261189361 /nfs/dbraw/zinc/18/93/61/1261189361.db2.gz IGPSRXLBKWMSSI-SJLPKXTDSA-N 2 1 362.518 0.637 10 30 FCEEMP CC[C@@H]1[C@@H](C(=O)N(C)C2CCC([NH2+]CC(=O)NCC#N)CC2)CC[N@H+]1C ZINC001282261636 1261393850 /nfs/dbraw/zinc/39/38/50/1261393850.db2.gz XSXSSDVHXNFTNC-SJJHQCBESA-N 2 1 363.506 0.716 10 30 FCEEMP C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CCC)C[C@H]1C ZINC001479110226 1263168219 /nfs/dbraw/zinc/16/82/19/1263168219.db2.gz GEKBRZNHDJBOLQ-RBSFLKMASA-N 2 1 367.494 0.165 10 30 FCEEMP C=CCNC(=O)C[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001485475676 1263507614 /nfs/dbraw/zinc/50/76/14/1263507614.db2.gz CEQKHROKPLMNGJ-IXDOHACOSA-N 2 1 350.507 0.990 10 30 FCEEMP C=CCNC(=O)C[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001485475676 1263507618 /nfs/dbraw/zinc/50/76/18/1263507618.db2.gz CEQKHROKPLMNGJ-IXDOHACOSA-N 2 1 350.507 0.990 10 30 FCEEMP C=CCNC(=O)C[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001485475676 1263507622 /nfs/dbraw/zinc/50/76/22/1263507622.db2.gz CEQKHROKPLMNGJ-IXDOHACOSA-N 2 1 350.507 0.990 10 30 FCEEMP C=CCNC(=O)C[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001485475676 1263507623 /nfs/dbraw/zinc/50/76/23/1263507623.db2.gz CEQKHROKPLMNGJ-IXDOHACOSA-N 2 1 350.507 0.990 10 30 FCEEMP C=CCNC(=O)[C@@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001485685551 1263513971 /nfs/dbraw/zinc/51/39/71/1263513971.db2.gz WSDWSHSKHGYJLS-OVYGPGRDSA-N 2 1 350.507 0.892 10 30 FCEEMP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](NC(=O)CC[N@H+](C)CC)C2)CC1 ZINC001342612386 1269536446 /nfs/dbraw/zinc/53/64/46/1269536446.db2.gz CNNSOMVIZUTCPT-SJLPKXTDSA-N 2 1 362.518 0.637 10 30 FCEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C1 ZINC001702668195 1285779472 /nfs/dbraw/zinc/77/94/72/1285779472.db2.gz BSPIMBYQJSFSNB-SQNIBIBYSA-N 2 1 360.502 0.343 10 30 FCEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C1 ZINC001702668195 1285779479 /nfs/dbraw/zinc/77/94/79/1285779479.db2.gz BSPIMBYQJSFSNB-SQNIBIBYSA-N 2 1 360.502 0.343 10 30 FCEEMP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C[C@H]1OCC ZINC001707150923 1286473880 /nfs/dbraw/zinc/47/38/80/1286473880.db2.gz UZERGNMPILYGQG-OAGGEKHMSA-N 2 1 359.898 0.913 10 30 FCEEMP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C[C@H]1OCC ZINC001707150923 1286473882 /nfs/dbraw/zinc/47/38/82/1286473882.db2.gz UZERGNMPILYGQG-OAGGEKHMSA-N 2 1 359.898 0.913 10 30 FCEEMP C=CCNC(=O)C[NH2+]C1CCC(N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001734010524 1288638436 /nfs/dbraw/zinc/63/84/36/1288638436.db2.gz GDMDMTMAQVXWQZ-RDHHWEPZSA-N 2 1 350.507 0.988 10 30 FCEEMP C=CCNC(=O)C[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001700353174 1289593906 /nfs/dbraw/zinc/59/39/06/1289593906.db2.gz LBBQSGKEFCUXPC-IXDOHACOSA-N 2 1 350.507 0.942 10 30 FCEEMP C=CCNC(=O)C[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001700353174 1289593912 /nfs/dbraw/zinc/59/39/12/1289593912.db2.gz LBBQSGKEFCUXPC-IXDOHACOSA-N 2 1 350.507 0.942 10 30 FCEEMP C=CCNC(=O)C[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001700353174 1289593915 /nfs/dbraw/zinc/59/39/15/1289593915.db2.gz LBBQSGKEFCUXPC-IXDOHACOSA-N 2 1 350.507 0.942 10 30 FCEEMP C=CCNC(=O)C[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001700353174 1289593920 /nfs/dbraw/zinc/59/39/20/1289593920.db2.gz LBBQSGKEFCUXPC-IXDOHACOSA-N 2 1 350.507 0.942 10 30 FCEEMP C[C@@H]1[C@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc2cc(C#N)ccc2F)CC[N@H+]1C ZINC001700937904 1289616016 /nfs/dbraw/zinc/61/60/16/1289616016.db2.gz OVLWCAPPYHXGTN-KBRIMQKVSA-N 2 1 362.449 0.946 10 30 FCEEMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C[C@H]1c1cnn(C)c1 ZINC001656417581 1291522754 /nfs/dbraw/zinc/52/27/54/1291522754.db2.gz YEVUEVONEWTZQV-NSHGMRRFSA-N 2 1 355.486 0.813 10 30 FCEEMP C=CCNC(=O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001264564496 859386828 /nfs/dbraw/zinc/38/68/28/859386828.db2.gz ULGDCRQXZODDTE-IKGGRYGDSA-N 2 1 350.507 0.847 10 30 FCEEMP CC[C@@H]1[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)CC[N@H+]1CC#CCOC ZINC001264625957 859405095 /nfs/dbraw/zinc/40/50/95/859405095.db2.gz PQSQPTKSLVZNCJ-OKZBNKHCSA-N 2 1 351.491 0.574 10 30 FCEEMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](C[C@@H](O)COC)[C@@H]2CC)CC1 ZINC001264627112 859406270 /nfs/dbraw/zinc/40/62/70/859406270.db2.gz GETVKPKXYNPLEM-FGTMMUONSA-N 2 1 351.491 0.308 10 30 FCEEMP C=CCNC(=O)C[NH2+][C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1(C)C ZINC001284297448 864551946 /nfs/dbraw/zinc/55/19/46/864551946.db2.gz UODPEPSHFDKVGZ-XHSDSOJGSA-N 2 1 350.507 0.846 10 30 FCEEMP C=CCNC(=O)C[NH+]1CCC(CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001319020631 867807626 /nfs/dbraw/zinc/80/76/26/867807626.db2.gz FVFDOLXYYPOAHS-NVXWUHKLSA-N 2 1 350.507 0.847 10 30 FCEEMP C=CCNC(=O)C[NH+]1CCC(C)(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001324319517 869544847 /nfs/dbraw/zinc/54/48/47/869544847.db2.gz ZDOUDPWZBYNMTB-JKSUJKDBSA-N 2 1 350.507 0.990 10 30 FCEEMP C=CCNC(=O)C[NH+]1CCC(C)(NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001324319517 869544855 /nfs/dbraw/zinc/54/48/55/869544855.db2.gz ZDOUDPWZBYNMTB-JKSUJKDBSA-N 2 1 350.507 0.990 10 30 FCEEMP Cn1nccc1[C@H]1[C@H]([NH2+]CC(=O)NC2CC[NH+](C3CC3)CC2)CC(=O)N1C ZINC000329118639 488970968 /nfs/dbraw/zinc/97/09/68/488970968.db2.gz JNFVXBLBRZRJHF-DNVCBOLYSA-N 2 1 374.489 0.865 10 30 FCEEMP C[C@@H]1C[N@@H+](CC#CCN2C[C@H](C)O[C@]3(CCOC3)C2)C[C@]2(CCOC2)O1 ZINC000367456721 489207159 /nfs/dbraw/zinc/20/71/59/489207159.db2.gz CQVVRJGHCNPVGM-JVSBHGNQSA-N 2 1 364.486 0.749 10 30 FCEEMP C[C@@H]1C[N@H+](CC#CCN2C[C@H](C)O[C@]3(CCOC3)C2)C[C@]2(CCOC2)O1 ZINC000367456721 489207163 /nfs/dbraw/zinc/20/71/63/489207163.db2.gz CQVVRJGHCNPVGM-JVSBHGNQSA-N 2 1 364.486 0.749 10 30 FCEEMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CCC[N@@H+]2CCOC)CC1 ZINC000561121408 491576653 /nfs/dbraw/zinc/57/66/53/491576653.db2.gz NLBOYFVZEVDGMA-QGZVFWFLSA-N 2 1 366.506 0.370 10 30 FCEEMP C=CC[C@@]1(C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)CCC[NH2+]1 ZINC000662755388 493539523 /nfs/dbraw/zinc/53/95/23/493539523.db2.gz ADXPUUUCAKGJBU-IBGZPJMESA-N 2 1 358.490 0.803 10 30 FCEEMP C([C@@H]1CO1)[NH+](C[C@@H]1CO1)C[C@H]1CCC[C@@H](C[N@H+](C[C@@H]2CO2)C[C@H]2CO2)C1 ZINC000255975695 527494163 /nfs/dbraw/zinc/49/41/63/527494163.db2.gz HASUCEDGKYJBDC-WMDIELAYSA-N 2 1 366.502 0.992 10 30 FCEEMP CC(C)[NH+](CC#CC[N@@H+](C[C@H]1CCC(=O)N1)C(C)C)C[C@@H]1CCC(=O)N1 ZINC000412071780 528856909 /nfs/dbraw/zinc/85/69/09/528856909.db2.gz HWSXQVIRDPBXKE-HDICACEKSA-N 2 1 362.518 0.968 10 30 FCEEMP CC(C)[NH+](CC#CC[N@H+](C[C@@H]1CCC(=O)N1)C(C)C)C[C@H]1CCC(=O)N1 ZINC000412071780 528856914 /nfs/dbraw/zinc/85/69/14/528856914.db2.gz HWSXQVIRDPBXKE-HDICACEKSA-N 2 1 362.518 0.968 10 30 FCEEMP CC(C)[NH+](CC#CC[N@@H+](C[C@@H]1CCC(=O)N1)C(C)C)C[C@H]1CCC(=O)N1 ZINC000412071780 528856919 /nfs/dbraw/zinc/85/69/19/528856919.db2.gz HWSXQVIRDPBXKE-HDICACEKSA-N 2 1 362.518 0.968 10 30 FCEEMP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](CCC(=O)N(C)CCC#N)CC2)C1 ZINC000181562443 529050915 /nfs/dbraw/zinc/05/09/15/529050915.db2.gz RDSNRIZKILUJRO-SFHVURJKSA-N 2 1 365.522 0.475 10 30 FCEEMP CCOC(=O)N1CCC(NC(=[NH2+])NC[C@@H]2CCC[N@H+]2CCOC)CC1 ZINC000303975178 674574013 /nfs/dbraw/zinc/57/40/13/674574013.db2.gz ISKNTZHGOLFTAD-HNNXBMFYSA-N 2 1 355.483 0.622 10 30 FCEEMP C#CC[N@H+](C)CCC[NH2+]C[C@@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1 ZINC000905273757 666014890 /nfs/dbraw/zinc/01/48/90/666014890.db2.gz MKCKTQWTHSOUGO-OAHLLOKOSA-N 2 1 359.536 0.533 10 30 FCEEMP C#CC[N@@H+](C)CCC[NH2+]C[C@@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1 ZINC000905273757 666014893 /nfs/dbraw/zinc/01/48/93/666014893.db2.gz MKCKTQWTHSOUGO-OAHLLOKOSA-N 2 1 359.536 0.533 10 30 FCEEMP C=CCNC(=O)NC(=O)[C@H](C)[N@H+](CC)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001266390911 1168369407 /nfs/dbraw/zinc/36/94/07/1168369407.db2.gz RJSGCQGUZICIBJ-QLFBSQMISA-N 2 1 367.494 0.165 10 30 FCEEMP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](CC)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001266390911 1168369411 /nfs/dbraw/zinc/36/94/11/1168369411.db2.gz RJSGCQGUZICIBJ-QLFBSQMISA-N 2 1 367.494 0.165 10 30 FCEEMP C=CCNC(=O)NC(=O)[C@H](C)[NH+](CC)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001266390911 1168369420 /nfs/dbraw/zinc/36/94/20/1168369420.db2.gz RJSGCQGUZICIBJ-QLFBSQMISA-N 2 1 367.494 0.165 10 30 FCEEMP C=CCNC(=O)NC(=O)[C@H](C)[NH+](CC)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001266390911 1168369429 /nfs/dbraw/zinc/36/94/29/1168369429.db2.gz RJSGCQGUZICIBJ-QLFBSQMISA-N 2 1 367.494 0.165 10 30 FCEEMP C=CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001268663870 1187754284 /nfs/dbraw/zinc/75/42/84/1187754284.db2.gz PPCLZJNEZRLNFI-NXHRZFHOSA-N 2 1 358.486 0.728 10 30 FCEEMP C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)C[NH2+]CC(=O)NCC#N ZINC001270526842 1188187739 /nfs/dbraw/zinc/18/77/39/1188187739.db2.gz WQHAGZPWAKUSAD-NXHRZFHOSA-N 2 1 371.485 0.313 10 30 FCEEMP C#CCN(C(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1)C1CC[NH+](C)CC1 ZINC000910882341 1195856701 /nfs/dbraw/zinc/85/67/01/1195856701.db2.gz DBKBEXHDUZXZEB-AEFFLSMTSA-N 2 1 360.502 0.485 10 30 FCEEMP C[NH+]1CC[C@H](CC(=O)N2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@H]2C#N)C1 ZINC000912535940 1196349998 /nfs/dbraw/zinc/34/99/98/1196349998.db2.gz PFFNLEWFSJPTIZ-BRWVUGGUSA-N 2 1 361.490 0.233 10 30 FCEEMP C[NH+]1CC[C@H](CC(=O)N2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)[C@H](C#N)C2)C1 ZINC000912535940 1196350004 /nfs/dbraw/zinc/35/00/04/1196350004.db2.gz PFFNLEWFSJPTIZ-BRWVUGGUSA-N 2 1 361.490 0.233 10 30 FCEEMP C[NH+]1CC[C@H](CC(=O)N2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)[C@H](C#N)C2)C1 ZINC000912535940 1196350009 /nfs/dbraw/zinc/35/00/09/1196350009.db2.gz PFFNLEWFSJPTIZ-BRWVUGGUSA-N 2 1 361.490 0.233 10 30 FCEEMP C[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@H]([NH3+])CCCCC#N)CC2)CC1 ZINC000594438684 1196722079 /nfs/dbraw/zinc/72/20/79/1196722079.db2.gz PSDDTUPICMDGCE-QGZVFWFLSA-N 2 1 363.506 0.800 10 30 FCEEMP C#CCN1CCC(NC(=O)NC2CCN(CC(=O)NCCC)CC2)CC1 ZINC000914115460 1197235770 /nfs/dbraw/zinc/23/57/70/1197235770.db2.gz BCXOXIHVCWBOSS-UHFFFAOYSA-N 2 1 363.506 0.374 10 30 FCEEMP C=CCOCCN1CCN([C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1 ZINC001273373901 1198050544 /nfs/dbraw/zinc/05/05/44/1198050544.db2.gz FPCICTKLDUDUPJ-CEXWTWQISA-N 2 1 364.534 0.748 10 30 FCEEMP C=CCOCCN1CCN([C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001273373901 1198050550 /nfs/dbraw/zinc/05/05/50/1198050550.db2.gz FPCICTKLDUDUPJ-CEXWTWQISA-N 2 1 364.534 0.748 10 30 FCEEMP C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C#CC3CC[NH2+]CC3)cc2)CC1 ZINC000852861916 1209568573 /nfs/dbraw/zinc/56/85/73/1209568573.db2.gz MTGZLNHCGDCDRV-UHFFFAOYSA-N 2 1 368.481 0.945 10 30 FCEEMP COc1ccc(N2CC[NH+](CCNC(=O)C#CC3CC[NH2+]CC3)CC2)cc1 ZINC000852872150 1209570015 /nfs/dbraw/zinc/57/00/15/1209570015.db2.gz BSOJHRNJCILFEK-UHFFFAOYSA-N 2 1 370.497 0.936 10 30 FCEEMP C=C[C@@H]1CCCCN1C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001119546038 1221931701 /nfs/dbraw/zinc/93/17/01/1221931701.db2.gz VQCSBBZUDDKXLN-NXHRZFHOSA-N 2 1 360.502 0.981 10 30 FCEEMP C=C[C@@H]1CCCCN1C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001119546038 1221931706 /nfs/dbraw/zinc/93/17/06/1221931706.db2.gz VQCSBBZUDDKXLN-NXHRZFHOSA-N 2 1 360.502 0.981 10 30 FCEEMP C#CCN(C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)C1CC[NH+](C)CC1 ZINC000919517368 1245606339 /nfs/dbraw/zinc/60/63/39/1245606339.db2.gz PMEKCWDKSVGZGQ-MRXNPFEDSA-N 2 1 363.506 0.313 10 30 FCEEMP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1 ZINC001479672774 1263337105 /nfs/dbraw/zinc/33/71/05/1263337105.db2.gz OMTOLKSYMHXESL-BBWFWOEESA-N 2 1 360.502 0.553 10 30 FCEEMP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1CC(=O)NCC#Cc1ccccc1 ZINC001479718628 1263385165 /nfs/dbraw/zinc/38/51/65/1263385165.db2.gz WPFWJXPPOXCXDC-MJGOQNOKSA-N 2 1 370.497 0.685 10 30 FCEEMP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@H+]1CC(=O)NCC#Cc1ccccc1 ZINC001479718628 1263385170 /nfs/dbraw/zinc/38/51/70/1263385170.db2.gz WPFWJXPPOXCXDC-MJGOQNOKSA-N 2 1 370.497 0.685 10 30 FCEEMP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@@H]2C1 ZINC001316753570 1263455637 /nfs/dbraw/zinc/45/56/37/1263455637.db2.gz JCBISDQJJIKOGZ-BBWFWOEESA-N 2 1 359.474 0.663 10 30 FCEEMP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@@H]2C1 ZINC001316753570 1263455643 /nfs/dbraw/zinc/45/56/43/1263455643.db2.gz JCBISDQJJIKOGZ-BBWFWOEESA-N 2 1 359.474 0.663 10 30 FCEEMP C#CC[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001484849547 1263490543 /nfs/dbraw/zinc/49/05/43/1263490543.db2.gz XMWFZXVUKRYOAI-SVFBPWRDSA-N 2 1 355.482 0.908 10 30 FCEEMP C#CCNC(=O)C[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C(C)(C)C1 ZINC001484935215 1263491154 /nfs/dbraw/zinc/49/11/54/1263491154.db2.gz QUBKWZLPFGHTJN-GVDBMIGSSA-N 2 1 362.518 0.683 10 30 FCEEMP C#CCNC(=O)C[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C(C)(C)C1 ZINC001484935215 1263491160 /nfs/dbraw/zinc/49/11/60/1263491160.db2.gz QUBKWZLPFGHTJN-GVDBMIGSSA-N 2 1 362.518 0.683 10 30 FCEEMP C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C(C)(C)C1 ZINC001484935215 1263491166 /nfs/dbraw/zinc/49/11/66/1263491166.db2.gz QUBKWZLPFGHTJN-GVDBMIGSSA-N 2 1 362.518 0.683 10 30 FCEEMP C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C(C)(C)C1 ZINC001484935215 1263491172 /nfs/dbraw/zinc/49/11/72/1263491172.db2.gz QUBKWZLPFGHTJN-GVDBMIGSSA-N 2 1 362.518 0.683 10 30 FCEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)CC[NH+](C)C)C[C@H]2C1 ZINC001573371327 1270764465 /nfs/dbraw/zinc/76/44/65/1270764465.db2.gz WZKJEMPPDWPPNS-SQNIBIBYSA-N 2 1 360.502 0.343 10 30 FCEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)CC[NH+](C)C)C[C@H]2C1 ZINC001573371327 1270764466 /nfs/dbraw/zinc/76/44/66/1270764466.db2.gz WZKJEMPPDWPPNS-SQNIBIBYSA-N 2 1 360.502 0.343 10 30 FCEEMP C=CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001715995236 1287367887 /nfs/dbraw/zinc/36/78/87/1287367887.db2.gz PPCLZJNEZRLNFI-JQHSSLGASA-N 2 1 358.486 0.728 10 30 FCEEMP C#CCNC(=O)C[NH+]1CCC(C)(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001716883658 1287392212 /nfs/dbraw/zinc/39/22/12/1287392212.db2.gz CHZSILNNDUUJMZ-DLBZAZTESA-N 2 1 362.518 0.684 10 30 FCEEMP C=CCOCC[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001717252885 1287414091 /nfs/dbraw/zinc/41/40/91/1287414091.db2.gz NOLGEEGAPGESFM-YQVWRLOYSA-N 2 1 353.507 0.862 10 30 FCEEMP C#CC[NH+]1CCC(C(=O)N[C@H](C)CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001583768808 1282109904 /nfs/dbraw/zinc/10/99/04/1282109904.db2.gz LJTRSRFIJMEAMT-BPQIPLTHSA-N 2 1 362.518 0.683 10 30 FCEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)CC[N@@H+](C)CC)[C@@H]2C1 ZINC001719072958 1287656649 /nfs/dbraw/zinc/65/66/49/1287656649.db2.gz ZVKOHKASWSEHPH-OKZBNKHCSA-N 2 1 360.502 0.485 10 30 FCEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)CC[N@H+](C)CC)[C@@H]2C1 ZINC001719072958 1287656657 /nfs/dbraw/zinc/65/66/57/1287656657.db2.gz ZVKOHKASWSEHPH-OKZBNKHCSA-N 2 1 360.502 0.485 10 30 FCEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)CC[NH+](C)CC)[C@@H]2C1 ZINC001719072958 1287656665 /nfs/dbraw/zinc/65/66/65/1287656665.db2.gz ZVKOHKASWSEHPH-OKZBNKHCSA-N 2 1 360.502 0.485 10 30 FCEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)CC[NH+](C)CC)[C@@H]2C1 ZINC001719072958 1287656671 /nfs/dbraw/zinc/65/66/71/1287656671.db2.gz ZVKOHKASWSEHPH-OKZBNKHCSA-N 2 1 360.502 0.485 10 30 FCEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001684461027 1284179359 /nfs/dbraw/zinc/17/93/59/1284179359.db2.gz SNGGZIHOFQFTBJ-KSZLIROESA-N 2 1 362.518 0.827 10 30 FCEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001684461027 1284179365 /nfs/dbraw/zinc/17/93/65/1284179365.db2.gz SNGGZIHOFQFTBJ-KSZLIROESA-N 2 1 362.518 0.827 10 30 FCEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)CC[NH+](C)CC)C1 ZINC001684461027 1284179372 /nfs/dbraw/zinc/17/93/72/1284179372.db2.gz SNGGZIHOFQFTBJ-KSZLIROESA-N 2 1 362.518 0.827 10 30 FCEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)CC[NH+](C)CC)C1 ZINC001684461027 1284179377 /nfs/dbraw/zinc/17/93/77/1284179377.db2.gz SNGGZIHOFQFTBJ-KSZLIROESA-N 2 1 362.518 0.827 10 30 FCEEMP C#CCNC(=O)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001707096371 1286440184 /nfs/dbraw/zinc/44/01/84/1286440184.db2.gz BZBLPUIJWVEJJZ-ZWKOTPCHSA-N 2 1 356.470 0.272 10 30 FCEEMP C#CCNC(=O)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001707096371 1286440186 /nfs/dbraw/zinc/44/01/86/1286440186.db2.gz BZBLPUIJWVEJJZ-ZWKOTPCHSA-N 2 1 356.470 0.272 10 30 FCEEMP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001707221787 1287067380 /nfs/dbraw/zinc/06/73/80/1287067380.db2.gz SZVBAPZAURLXNC-NXHRZFHOSA-N 2 1 362.518 0.799 10 30 FCEEMP C[N@H+]1C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)NCC#N)C2)[C@@H](c2ccccc2)C1 ZINC001731486865 1288558588 /nfs/dbraw/zinc/55/85/88/1288558588.db2.gz XLIXGQQRYRGQKT-XDNAFOTISA-N 2 1 369.469 0.208 10 30 FCEEMP C=CCNC(=O)[C@@H](C)[NH2+]CC1(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCOCC1 ZINC001733829965 1288632639 /nfs/dbraw/zinc/63/26/39/1288632639.db2.gz GFTWARFSRGJFTP-BZUAXINKSA-N 2 1 366.506 0.272 10 30 FCEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001739520402 1290107726 /nfs/dbraw/zinc/10/77/26/1290107726.db2.gz UKVWDOPKVSQRBA-NXHRZFHOSA-N 2 1 360.502 0.531 10 30 FCEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001739520402 1290107728 /nfs/dbraw/zinc/10/77/28/1290107728.db2.gz UKVWDOPKVSQRBA-NXHRZFHOSA-N 2 1 360.502 0.531 10 30 FCEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001739520402 1290107732 /nfs/dbraw/zinc/10/77/32/1290107732.db2.gz UKVWDOPKVSQRBA-NXHRZFHOSA-N 2 1 360.502 0.531 10 30 FCEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001739520402 1290107734 /nfs/dbraw/zinc/10/77/34/1290107734.db2.gz UKVWDOPKVSQRBA-NXHRZFHOSA-N 2 1 360.502 0.531 10 30 FCEEMP C=CCNC(=O)[C@H](C)[N@@H+](C)C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001277397894 861860213 /nfs/dbraw/zinc/86/02/13/861860213.db2.gz XZAFFQWQFGWBEJ-HLLBOEOZSA-N 2 1 350.507 0.940 10 30 FCEEMP C=CCNC(=O)[C@H](C)[NH+](C)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001277397894 861860230 /nfs/dbraw/zinc/86/02/30/861860230.db2.gz XZAFFQWQFGWBEJ-HLLBOEOZSA-N 2 1 350.507 0.940 10 30 FCEEMP C=CCNC(=O)[C@@H](C)[N@@H+](C)C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001277397892 861860610 /nfs/dbraw/zinc/86/06/10/861860610.db2.gz XZAFFQWQFGWBEJ-BFYDXBDKSA-N 2 1 350.507 0.940 10 30 FCEEMP C=CCNC(=O)[C@@H](C)[NH+](C)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001277397892 861860631 /nfs/dbraw/zinc/86/06/31/861860631.db2.gz XZAFFQWQFGWBEJ-BFYDXBDKSA-N 2 1 350.507 0.940 10 30 FCEEMP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@]12C[NH2+]C[C@H]1CS(=O)(=O)C2)C(C)C ZINC001263095306 859099212 /nfs/dbraw/zinc/09/92/12/859099212.db2.gz IYCQWQPCJFRMBV-JZXOWHBKSA-N 2 1 369.531 0.435 10 30 FCEEMP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1C[NH2+]CC#CCOC ZINC001263966649 859258148 /nfs/dbraw/zinc/25/81/48/859258148.db2.gz QADPNEDESTVIAK-BRSBDYLESA-N 2 1 351.491 0.430 10 30 FCEEMP C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CC[N@H+](C)CC ZINC001264562715 859386255 /nfs/dbraw/zinc/38/62/55/859386255.db2.gz NVYVTOLZKLMKRB-ZACQAIPSSA-N 2 1 350.507 0.683 10 30 FCEEMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](C[C@H](O)COC)[C@@H]2CC)CC1 ZINC001264627118 859406521 /nfs/dbraw/zinc/40/65/21/859406521.db2.gz GETVKPKXYNPLEM-OKZBNKHCSA-N 2 1 351.491 0.308 10 30 FCEEMP C=CCNC(=O)C[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001280050341 863218784 /nfs/dbraw/zinc/21/87/84/863218784.db2.gz CSCFTONVQVVOSP-IXDOHACOSA-N 2 1 350.507 0.847 10 30 FCEEMP C=C(C)CN(CC)C(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001317109939 867521171 /nfs/dbraw/zinc/52/11/71/867521171.db2.gz SCWJCIWKWIRBJP-WCXIOVBPSA-N 2 1 350.507 0.988 10 30 FCEEMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[NH2+]C[C@H]2c2cccnc2)CC1 ZINC000419702801 246259242 /nfs/dbraw/zinc/25/92/42/246259242.db2.gz BZXNLDYFAKVEOU-SFHVURJKSA-N 2 1 371.485 0.711 10 30 FCEEMP CNC(=O)CC1CC[NH+](CC#CC[NH+]2CCC(CC(=O)NC)CC2)CC1 ZINC000560159475 491521272 /nfs/dbraw/zinc/52/12/72/491521272.db2.gz PCIBJWOTMULHAG-UHFFFAOYSA-N 2 1 362.518 0.686 10 30 FCEEMP C(#CC[N@@H+]1CC[C@@H](Cn2ccnn2)C1)C[NH+]1CC[C@@H](Cn2ccnn2)C1 ZINC000661139338 493410784 /nfs/dbraw/zinc/41/07/84/493410784.db2.gz HRHBPGYEABKALE-QZTJIDSGSA-N 2 1 354.462 0.217 10 30 FCEEMP C[NH+]=C(NC[C@@]1([NH+](C)C)CCSC1)N1CCN(C(=O)C(C)C)CC1 ZINC000262778733 526375033 /nfs/dbraw/zinc/37/50/33/526375033.db2.gz KPKQLEQLCGYZRX-KRWDZBQOSA-N 2 1 355.552 0.799 10 30 FCEEMP CC[NH+]=C(NC[C@H]1C[N@@H+](C)CCN1C)N1CCN(Cc2ccon2)CC1 ZINC000261678732 528814554 /nfs/dbraw/zinc/81/45/54/528814554.db2.gz CVDVWXIOWCYZHD-KRWDZBQOSA-N 2 1 363.510 0.004 10 30 FCEEMP C#CCN(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)C1CC[NH+](C)CC1 ZINC000923198645 667811357 /nfs/dbraw/zinc/81/13/57/667811357.db2.gz JIBYEHJRQTUODS-KRWDZBQOSA-N 3 1 351.539 0.997 10 30 FCEEMP C#CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)C1CC[NH+](C)CC1 ZINC000923198645 667811362 /nfs/dbraw/zinc/81/13/62/667811362.db2.gz JIBYEHJRQTUODS-KRWDZBQOSA-N 3 1 351.539 0.997 10 30 FCEEMP CC[C@@H]1[C@@H](C(=O)NCc2ccc(C[NH2+]CC(=O)NCC#N)cc2)CC[N@H+]1C ZINC001267938197 1183163938 /nfs/dbraw/zinc/16/39/38/1183163938.db2.gz NWGVIQPJXHGABE-ZWKOTPCHSA-N 2 1 371.485 0.762 10 30 FCEEMP C[N@H+]1C[C@H](C(=O)N[C@@H]2CCN(CC(=O)NCC#N)C2)[C@@H](c2ccccc2)C1 ZINC001269171834 1187826443 /nfs/dbraw/zinc/82/64/43/1187826443.db2.gz DRPNNSRAEYVIAM-KURKYZTESA-N 2 1 369.469 0.162 10 30 FCEEMP C=CCNC(=O)C[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001269709376 1187863594 /nfs/dbraw/zinc/86/35/94/1187863594.db2.gz XATVAOMREZDPTN-IAGOWNOFSA-N 2 1 362.518 0.943 10 30 FCEEMP C[NH+]1CC[C@@H](CC(=O)N2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@@H]2C#N)C1 ZINC000912535942 1196350198 /nfs/dbraw/zinc/35/01/98/1196350198.db2.gz PFFNLEWFSJPTIZ-IKGGRYGDSA-N 2 1 361.490 0.233 10 30 FCEEMP C[NH+]1CC[C@H](CC(=O)N2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)[C@@H](C#N)C2)C1 ZINC000912535942 1196350202 /nfs/dbraw/zinc/35/02/02/1196350202.db2.gz PFFNLEWFSJPTIZ-IKGGRYGDSA-N 2 1 361.490 0.233 10 30 FCEEMP C[NH+]1CC[C@H](CC(=O)N2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)[C@@H](C#N)C2)C1 ZINC000912535942 1196350206 /nfs/dbraw/zinc/35/02/06/1196350206.db2.gz PFFNLEWFSJPTIZ-IKGGRYGDSA-N 2 1 361.490 0.233 10 30 FCEEMP C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H]1CC ZINC001489122701 1208631891 /nfs/dbraw/zinc/63/18/91/1208631891.db2.gz KPWVVPNJLXXQCV-ZWKOTPCHSA-N 2 1 367.453 0.975 10 30 FCEEMP C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H]1CC ZINC001489122701 1208631897 /nfs/dbraw/zinc/63/18/97/1208631897.db2.gz KPWVVPNJLXXQCV-ZWKOTPCHSA-N 2 1 367.453 0.975 10 30 FCEEMP CCN(CCC#N)C(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@H]1C ZINC001489305472 1208739198 /nfs/dbraw/zinc/73/91/98/1208739198.db2.gz TVRDLIYQCZJGDP-RYRKJORJSA-N 2 1 365.522 0.914 10 30 FCEEMP CCN(CCC#N)C(=O)C[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@H]1C ZINC001489305472 1208739201 /nfs/dbraw/zinc/73/92/01/1208739201.db2.gz TVRDLIYQCZJGDP-RYRKJORJSA-N 2 1 365.522 0.914 10 30 FCEEMP C#CCN(C(=O)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1)C1CC[NH+](C)CC1 ZINC000930716776 1211719113 /nfs/dbraw/zinc/71/91/13/1211719113.db2.gz BSDGEZSVKJPBGO-SFHVURJKSA-N 2 1 360.502 0.676 10 30 FCEEMP C=C1[C@H](C(=O)NC[C@@H]2CCC[NH+](C)C2)[C@@H]1C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000900630746 1218015529 /nfs/dbraw/zinc/01/55/29/1218015529.db2.gz QEKKDSLVZCLUDA-USTZCAOPSA-N 2 1 362.518 0.705 10 30 FCEEMP C=C1[C@H](C(=O)NC[C@@H]2CCC[N@H+](C)C2)[C@@H]1C(=O)NC[C@H]1CCC[NH+](C)C1 ZINC000900630746 1218015534 /nfs/dbraw/zinc/01/55/34/1218015534.db2.gz QEKKDSLVZCLUDA-USTZCAOPSA-N 2 1 362.518 0.705 10 30 FCEEMP C=C1[C@H](C(=O)NC[C@@H]2CCC[N@@H+](C)C2)[C@@H]1C(=O)NC[C@H]1CCC[NH+](C)C1 ZINC000900630746 1218015539 /nfs/dbraw/zinc/01/55/39/1218015539.db2.gz QEKKDSLVZCLUDA-USTZCAOPSA-N 2 1 362.518 0.705 10 30 FCEEMP N#CC1(C[C@H](O)C[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)CCOCC1 ZINC001329149452 1265700675 /nfs/dbraw/zinc/70/06/75/1265700675.db2.gz PQLHRNGCDIGNGM-MSOLQXFVSA-N 2 1 366.506 0.054 10 30 FCEEMP C#CC[NH+]1CCC[C@H]1C(=O)N(CC)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001296311724 1262803437 /nfs/dbraw/zinc/80/34/37/1262803437.db2.gz IMUQWIFRVCHWSP-KSZLIROESA-N 2 1 362.518 0.779 10 30 FCEEMP C#CC[NH+]1CCC[C@H]1C(=O)N(CC)CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001296311724 1262803453 /nfs/dbraw/zinc/80/34/53/1262803453.db2.gz IMUQWIFRVCHWSP-KSZLIROESA-N 2 1 362.518 0.779 10 30 FCEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)CCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001296311724 1262803465 /nfs/dbraw/zinc/80/34/65/1262803465.db2.gz IMUQWIFRVCHWSP-KSZLIROESA-N 2 1 362.518 0.779 10 30 FCEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)CCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001296311724 1262803478 /nfs/dbraw/zinc/80/34/78/1262803478.db2.gz IMUQWIFRVCHWSP-KSZLIROESA-N 2 1 362.518 0.779 10 30 FCEEMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CC(=O)NCC#N ZINC001479562787 1263255876 /nfs/dbraw/zinc/25/58/76/1263255876.db2.gz ZZQUKGYCBGYGSN-IKGGRYGDSA-N 2 1 363.506 0.716 10 30 FCEEMP C=CCN1CC[C@@H]([NH2+][C@@H]2CC[C@H](CNC(=O)Cn3c[nH+]cc3C)C2)C1=O ZINC001316656106 1263402224 /nfs/dbraw/zinc/40/22/24/1263402224.db2.gz UFOHKHVOJZBWFG-GVDBMIGSSA-N 2 1 359.474 0.853 10 30 FCEEMP C#CCNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001316659951 1263404022 /nfs/dbraw/zinc/40/40/22/1263404022.db2.gz FXPATDOYAXGPOM-GVDBMIGSSA-N 2 1 371.485 0.378 10 30 FCEEMP C#CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C1CC[NH+](CC(=O)N(C)C)CC1 ZINC001483984454 1263452109 /nfs/dbraw/zinc/45/21/09/1263452109.db2.gz NKSFKXMQEQAEKR-ZWKOTPCHSA-N 2 1 362.518 0.731 10 30 FCEEMP C#CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C1CC[NH+](CC(=O)N(C)C)CC1 ZINC001483984454 1263452116 /nfs/dbraw/zinc/45/21/16/1263452116.db2.gz NKSFKXMQEQAEKR-ZWKOTPCHSA-N 2 1 362.518 0.731 10 30 FCEEMP C[C@@H]1[C@H](C(=O)N(CCO)CC[NH2+]Cc2ccc(C#N)cc2F)CC[N@H+]1C ZINC001484483760 1263477031 /nfs/dbraw/zinc/47/70/31/1263477031.db2.gz ZRGGIGNGVQADBT-RHSMWYFYSA-N 2 1 362.449 0.948 10 30 FCEEMP C#CC[NH+]1CCC(C(=O)NC/C=C\CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001501877805 1264148704 /nfs/dbraw/zinc/14/87/04/1264148704.db2.gz VBNPAAJECYJBEB-GOVFWEMJSA-N 2 1 360.502 0.460 10 30 FCEEMP C=CCO[C@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1 ZINC001322997833 1264311332 /nfs/dbraw/zinc/31/13/32/1264311332.db2.gz KUASHHZTINPCLX-WBVHZDCISA-N 2 1 364.490 0.075 10 30 FCEEMP C=CCNC(=O)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3cncn3C)C2)C1 ZINC001323860144 1264529907 /nfs/dbraw/zinc/52/99/07/1264529907.db2.gz NYICVKWJYGLAFT-QINHECLXSA-N 2 1 371.485 0.750 10 30 FCEEMP C#CC[NH+]1CCC(NC(=O)C(=O)Nc2ccnn2-c2cc[nH+]cc2)CC1 ZINC001340178795 1268461035 /nfs/dbraw/zinc/46/10/35/1268461035.db2.gz JYQQLUAJNGDVPE-UHFFFAOYSA-N 2 1 352.398 0.420 10 30 FCEEMP C[NH+](C)CC#CCNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC001565496505 1269477901 /nfs/dbraw/zinc/47/79/01/1269477901.db2.gz KJPYNYHYXBIQKO-OALUTQOASA-N 2 1 358.486 0.734 10 30 FCEEMP C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1c1cnn(C)c1 ZINC001565926886 1269523492 /nfs/dbraw/zinc/52/34/92/1269523492.db2.gz DUORYXSOVLEQAQ-RYQLBKOJSA-N 2 1 361.490 0.458 10 30 FCEEMP CCO[C@@H]1CN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C[C@H]1C[NH2+]CC#CCOC ZINC001565955618 1269531588 /nfs/dbraw/zinc/53/15/88/1269531588.db2.gz UOLTZMNNFIZYBX-GGPKGHCWSA-N 2 1 363.502 0.575 10 30 FCEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)C2 ZINC001702955190 1286020688 /nfs/dbraw/zinc/02/06/88/1286020688.db2.gz NALXGBXVBBIIMZ-OWSLCNJRSA-N 2 1 360.502 0.674 10 30 FCEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)C2 ZINC001702955190 1286020691 /nfs/dbraw/zinc/02/06/91/1286020691.db2.gz NALXGBXVBBIIMZ-OWSLCNJRSA-N 2 1 360.502 0.674 10 30 FCEEMP C#CCNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001707115288 1286453190 /nfs/dbraw/zinc/45/31/90/1286453190.db2.gz GEEBLEGRCJOZTN-RCCFBDPRSA-N 2 1 362.518 0.873 10 30 FCEEMP C[C@@H]1[C@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc2cc(F)ccc2C#N)CC[N@@H+]1C ZINC001700938204 1289617385 /nfs/dbraw/zinc/61/73/85/1289617385.db2.gz QRRXBIIYCSRUEG-FSPWUOQZSA-N 2 1 362.449 0.946 10 30 FCEEMP C[C@@H]1[C@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc2cc(F)ccc2C#N)CC[N@H+]1C ZINC001700938204 1289617397 /nfs/dbraw/zinc/61/73/97/1289617397.db2.gz QRRXBIIYCSRUEG-FSPWUOQZSA-N 2 1 362.449 0.946 10 30 FCEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001739727011 1290397091 /nfs/dbraw/zinc/39/70/91/1290397091.db2.gz LHFNNUADEBFIEY-FGTMMUONSA-N 2 1 360.502 0.485 10 30 FCEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001739727011 1290397101 /nfs/dbraw/zinc/39/71/01/1290397101.db2.gz LHFNNUADEBFIEY-FGTMMUONSA-N 2 1 360.502 0.485 10 30 FCEEMP C#Cc1cccc(NC(=O)NC(=O)C[N@@H+](C)CCCN2CC[NH+](C)CC2)c1 ZINC001654025589 1291389933 /nfs/dbraw/zinc/38/99/33/1291389933.db2.gz MJLKAZFXVIKFEE-UHFFFAOYSA-N 2 1 371.485 0.885 10 30 FCEEMP C#CCNC(=O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001656537961 1291542569 /nfs/dbraw/zinc/54/25/69/1291542569.db2.gz GGKRSXOUVZJHAO-SQNIBIBYSA-N 2 1 362.518 0.825 10 30 FCEEMP CC[C@@H]1[C@@H](C(=O)NCCC[NH+]2CCN(CC#CCOC)CC2)CC[N@H+]1C ZINC001660883517 1291674462 /nfs/dbraw/zinc/67/44/62/1291674462.db2.gz QAYJMFKMICTRFJ-RBUKOAKNSA-N 2 1 364.534 0.490 10 30 FCEEMP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@]12C[NH2+]C[C@H]1CS(=O)(=O)C2)C(C)C ZINC001263095305 859098825 /nfs/dbraw/zinc/09/88/25/859098825.db2.gz IYCQWQPCJFRMBV-BQFCYCMXSA-N 2 1 369.531 0.435 10 30 FCEEMP COCC#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CC[NH+]1CCOCC1 ZINC001316706096 867412442 /nfs/dbraw/zinc/41/24/42/867412442.db2.gz GEFQBZFUTCRENI-MSOLQXFVSA-N 2 1 351.491 0.575 10 30 FCEEMP C[NH+]=C(NCCN1CCC[N@@H+](C)CC1)N1CCO[C@@H](c2cnn(C)c2)C1 ZINC000261652812 526356219 /nfs/dbraw/zinc/35/62/19/526356219.db2.gz ACPNFVWOZDXDTM-QGZVFWFLSA-N 2 1 363.510 0.006 10 30 FCEEMP C[NH+]=C(NC[C@]1([NH+](C)C)CCSC1)N1CC[C@@H](N2CCOCC2)C1 ZINC000262813031 526378019 /nfs/dbraw/zinc/37/80/19/526378019.db2.gz UXJLHJJKEHDWCQ-NVXWUHKLSA-N 2 1 355.552 0.406 10 30 FCEEMP C[NH+]=C(NCc1ccc(S(N)(=O)=O)s1)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000245595273 526383894 /nfs/dbraw/zinc/38/38/94/526383894.db2.gz HIMPPIRFMPULLS-WCQYABFASA-N 2 1 373.548 0.789 10 30 FCEEMP C=CCSCCNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000911071562 666309686 /nfs/dbraw/zinc/30/96/86/666309686.db2.gz AHFWQYPWDGQTIP-IYBDPMFKSA-N 2 1 366.531 0.449 10 30 FCEEMP C=CCSCCNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000911071562 666309688 /nfs/dbraw/zinc/30/96/88/666309688.db2.gz AHFWQYPWDGQTIP-IYBDPMFKSA-N 2 1 366.531 0.449 10 30 FCEEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000923201739 667811723 /nfs/dbraw/zinc/81/17/23/667811723.db2.gz SYBCGAHNTGUCBG-YESZJQIVSA-N 2 1 352.527 0.886 10 30 FCEEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000923201739 667811726 /nfs/dbraw/zinc/81/17/26/667811726.db2.gz SYBCGAHNTGUCBG-YESZJQIVSA-N 2 1 352.527 0.886 10 30 FCEEMP C=C(Cl)C[C@@H]([NH3+])C(=O)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000876750667 672977121 /nfs/dbraw/zinc/97/71/21/672977121.db2.gz QXBRIEVIOJEKJM-MRXNPFEDSA-N 2 1 364.877 0.917 10 30 FCEEMP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)CC1 ZINC000930006284 673991858 /nfs/dbraw/zinc/99/18/58/673991858.db2.gz DNDKURFPOVBOET-JKSUJKDBSA-N 2 1 366.531 0.449 10 30 FCEEMP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCC[N@H+]3CCSC[C@H]23)CC1 ZINC000930006284 673991860 /nfs/dbraw/zinc/99/18/60/673991860.db2.gz DNDKURFPOVBOET-JKSUJKDBSA-N 2 1 366.531 0.449 10 30 FCEEMP C#CC[NH+]1CCC(C(=O)NC[C@@H](CC)NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001746160885 1192252707 /nfs/dbraw/zinc/25/27/07/1192252707.db2.gz QPXRQEDZKBOABV-KBAYOESNSA-N 2 1 362.518 0.683 10 30 FCEEMP C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001481231732 1182926608 /nfs/dbraw/zinc/92/66/08/1182926608.db2.gz NDBNKTOYBAGSHR-QLFBSQMISA-N 2 1 367.494 0.165 10 30 FCEEMP C[C@@H]1[C@H](C(=O)N2CCC3(CC[NH+](CC(=O)NCC#N)C3)CC2)CC[N@H+]1C ZINC001482069234 1187607968 /nfs/dbraw/zinc/60/79/68/1187607968.db2.gz VPLFQHDJCXITRP-HZPDHXFCSA-N 2 1 361.490 0.281 10 30 FCEEMP C[C@@H]1[C@H](C(=O)N2CCC3(CC[N@H+](CC(=O)NCC#N)C3)CC2)CC[NH+]1C ZINC001482069234 1187607977 /nfs/dbraw/zinc/60/79/77/1187607977.db2.gz VPLFQHDJCXITRP-HZPDHXFCSA-N 2 1 361.490 0.281 10 30 FCEEMP C[C@@H]1[C@H](C(=O)N2CCC3(CC[N@@H+](CC(=O)NCC#N)C3)CC2)CC[NH+]1C ZINC001482069234 1187607980 /nfs/dbraw/zinc/60/79/80/1187607980.db2.gz VPLFQHDJCXITRP-HZPDHXFCSA-N 2 1 361.490 0.281 10 30 FCEEMP C=CCOCCN1CCN([C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1 ZINC001273373902 1198050274 /nfs/dbraw/zinc/05/02/74/1198050274.db2.gz FPCICTKLDUDUPJ-GUDVDZBRSA-N 2 1 364.534 0.748 10 30 FCEEMP C=CCOCCN1CCN([C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001273373902 1198050290 /nfs/dbraw/zinc/05/02/90/1198050290.db2.gz FPCICTKLDUDUPJ-GUDVDZBRSA-N 2 1 364.534 0.748 10 30 FCEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)N(CC)CC)C1 ZINC001488915828 1208568112 /nfs/dbraw/zinc/56/81/12/1208568112.db2.gz IWKBVVUHBBWABJ-KSZLIROESA-N 2 1 362.518 0.827 10 30 FCEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)N(CC)CC)C1 ZINC001488915828 1208568119 /nfs/dbraw/zinc/56/81/19/1208568119.db2.gz IWKBVVUHBBWABJ-KSZLIROESA-N 2 1 362.518 0.827 10 30 FCEEMP C=C1[C@H](C(=O)N[C@@H]2CC[NH+](C)[C@H](C)C2)[C@@H]1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000900830845 1218043982 /nfs/dbraw/zinc/04/39/82/1218043982.db2.gz OKNRWNBDKPCXFE-RTNWTXRISA-N 2 1 362.518 0.986 10 30 FCEEMP C=C1[C@H](C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)[C@@H]1C(=O)N[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000900830845 1218043985 /nfs/dbraw/zinc/04/39/85/1218043985.db2.gz OKNRWNBDKPCXFE-RTNWTXRISA-N 2 1 362.518 0.986 10 30 FCEEMP C=C1[C@H](C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)[C@@H]1C(=O)N[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000900830845 1218043990 /nfs/dbraw/zinc/04/39/90/1218043990.db2.gz OKNRWNBDKPCXFE-RTNWTXRISA-N 2 1 362.518 0.986 10 30 FCEEMP C#CCN(C(=O)NC[C@@H](C)CN1CC[NH+](CC)CC1)C1CC[NH+](C)CC1 ZINC000920463687 1245623461 /nfs/dbraw/zinc/62/34/61/1245623461.db2.gz ZKJCDOMUEUTOOV-GOSISDBHSA-N 2 1 363.550 0.999 10 30 FCEEMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCCC[NH+]2CC(=O)NCC#N)CC[N@@H+]1C ZINC001282664985 1261574600 /nfs/dbraw/zinc/57/46/00/1261574600.db2.gz CRABBQQTPLFYRY-YESZJQIVSA-N 2 1 363.506 0.717 10 30 FCEEMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCCC[NH+]2CC(=O)NCC#N)CC[N@H+]1C ZINC001282664985 1261574603 /nfs/dbraw/zinc/57/46/03/1261574603.db2.gz CRABBQQTPLFYRY-YESZJQIVSA-N 2 1 363.506 0.717 10 30 FCEEMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCCC[N@@H+]2CC(=O)NCC#N)CC[NH+]1C ZINC001282664985 1261574609 /nfs/dbraw/zinc/57/46/09/1261574609.db2.gz CRABBQQTPLFYRY-YESZJQIVSA-N 2 1 363.506 0.717 10 30 FCEEMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCCC[N@H+]2CC(=O)NCC#N)CC[NH+]1C ZINC001282664985 1261574612 /nfs/dbraw/zinc/57/46/12/1261574612.db2.gz CRABBQQTPLFYRY-YESZJQIVSA-N 2 1 363.506 0.717 10 30 FCEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001290938892 1262539694 /nfs/dbraw/zinc/53/96/94/1262539694.db2.gz YPZJPGOANCIYQT-KURKYZTESA-N 2 1 362.518 0.635 10 30 FCEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001290938892 1262539699 /nfs/dbraw/zinc/53/96/99/1262539699.db2.gz YPZJPGOANCIYQT-KURKYZTESA-N 2 1 362.518 0.635 10 30 FCEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)C[NH+](C)C(C)C)C[C@H]1C ZINC001290938892 1262539702 /nfs/dbraw/zinc/53/97/02/1262539702.db2.gz YPZJPGOANCIYQT-KURKYZTESA-N 2 1 362.518 0.635 10 30 FCEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)C[NH+](C)C(C)C)C[C@H]1C ZINC001290938892 1262539704 /nfs/dbraw/zinc/53/97/04/1262539704.db2.gz YPZJPGOANCIYQT-KURKYZTESA-N 2 1 362.518 0.635 10 30 FCEEMP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001298609402 1262933402 /nfs/dbraw/zinc/93/34/02/1262933402.db2.gz DQUBLYXJZOFRQK-BPQIPLTHSA-N 2 1 362.518 0.683 10 30 FCEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)NCC(C)C)C1 ZINC001316653367 1263399670 /nfs/dbraw/zinc/39/96/70/1263399670.db2.gz YGFRQCCLMKESID-KSZLIROESA-N 2 1 362.518 0.731 10 30 FCEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)NCC(C)C)C1 ZINC001316653367 1263399683 /nfs/dbraw/zinc/39/96/83/1263399683.db2.gz YGFRQCCLMKESID-KSZLIROESA-N 2 1 362.518 0.731 10 30 FCEEMP COCC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1c1cnn(C)c1 ZINC001316670785 1263413972 /nfs/dbraw/zinc/41/39/72/1263413972.db2.gz UFYQSRGEWURNSW-OQIJWPOYSA-N 2 1 373.501 0.294 10 30 FCEEMP C#CCNC(=O)[C@@H](C)[NH+]1CC[C@@H]2CN(C(=O)CC[N@H+](C)CCC)C[C@@H]2C1 ZINC001316758830 1263464253 /nfs/dbraw/zinc/46/42/53/1263464253.db2.gz NQIIPUIQOFBMOT-KURKYZTESA-N 2 1 362.518 0.637 10 30 FCEEMP C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)CCC)C[C@@H]2C1 ZINC001316758830 1263464256 /nfs/dbraw/zinc/46/42/56/1263464256.db2.gz NQIIPUIQOFBMOT-KURKYZTESA-N 2 1 362.518 0.637 10 30 FCEEMP C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)CCC)C[C@@H]2C1 ZINC001316758830 1263464259 /nfs/dbraw/zinc/46/42/59/1263464259.db2.gz NQIIPUIQOFBMOT-KURKYZTESA-N 2 1 362.518 0.637 10 30 FCEEMP C=CCN1CC[C@@H]([NH+](C)CCCN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1=O ZINC001484742225 1263485425 /nfs/dbraw/zinc/48/54/25/1263485425.db2.gz AASPSZZMNBGPGK-BRWVUGGUSA-N 2 1 350.507 0.894 10 30 FCEEMP C=CCN1CC[C@@H]([N@@H+](C)CCCN(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1=O ZINC001484742225 1263485428 /nfs/dbraw/zinc/48/54/28/1263485428.db2.gz AASPSZZMNBGPGK-BRWVUGGUSA-N 2 1 350.507 0.894 10 30 FCEEMP C=CCN1CC[C@@H]([N@H+](C)CCCN(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1=O ZINC001484742225 1263485432 /nfs/dbraw/zinc/48/54/32/1263485432.db2.gz AASPSZZMNBGPGK-BRWVUGGUSA-N 2 1 350.507 0.894 10 30 FCEEMP C#CCNC(=O)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001485042969 1263497636 /nfs/dbraw/zinc/49/76/36/1263497636.db2.gz HCQQUTMNQCBHAQ-QSFMABPGSA-N 2 1 368.481 0.448 10 30 FCEEMP C#CCNC(=O)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001485042969 1263497643 /nfs/dbraw/zinc/49/76/43/1263497643.db2.gz HCQQUTMNQCBHAQ-QSFMABPGSA-N 2 1 368.481 0.448 10 30 FCEEMP C[C@@H]1[C@H](C(=O)NC[C@H]([NH2+]CC(=O)NCC#N)c2ccccc2)CC[N@@H+]1C ZINC001493888069 1263745060 /nfs/dbraw/zinc/74/50/60/1263745060.db2.gz BFQSFGISVUDHGV-OIISXLGYSA-N 2 1 357.458 0.413 10 30 FCEEMP C[C@@H]1[C@H](C(=O)NC[C@H]([NH2+]CC(=O)NCC#N)c2ccccc2)CC[N@H+]1C ZINC001493888069 1263745067 /nfs/dbraw/zinc/74/50/67/1263745067.db2.gz BFQSFGISVUDHGV-OIISXLGYSA-N 2 1 357.458 0.413 10 30 FCEEMP COc1ccc(C#N)cc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001507197579 1264354800 /nfs/dbraw/zinc/35/48/00/1264354800.db2.gz BHIQEASGOPLSJL-KBRIMQKVSA-N 2 1 360.458 0.474 10 30 FCEEMP COc1ccc(C#N)cc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001507197579 1264354809 /nfs/dbraw/zinc/35/48/09/1264354809.db2.gz BHIQEASGOPLSJL-KBRIMQKVSA-N 2 1 360.458 0.474 10 30 FCEEMP C#CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC[NH+]([C@@H]2CCCNC2=O)CC1 ZINC001324398059 1264635381 /nfs/dbraw/zinc/63/53/81/1264635381.db2.gz XXZGDOJPXOJTDZ-KBAYOESNSA-N 2 1 360.502 0.531 10 30 FCEEMP C=C1[C@H](C(=O)N2C[C@H]3CC[N@H+](C)[C@H]3C2)[C@@H]1C(=O)N1C[C@@H]2CC[NH+](C)[C@@H]2C1 ZINC001334183228 1266870196 /nfs/dbraw/zinc/87/01/96/1266870196.db2.gz VMBWFUQVJMEUPF-XFZGEKFBSA-N 2 1 358.486 0.114 10 30 FCEEMP C=C1[C@H](C(=O)N2C[C@H]3CC[NH+](C)[C@H]3C2)[C@@H]1C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC001334183228 1266870206 /nfs/dbraw/zinc/87/02/06/1266870206.db2.gz VMBWFUQVJMEUPF-XFZGEKFBSA-N 2 1 358.486 0.114 10 30 FCEEMP C=C1[C@H](C(=O)N2C[C@H]3CC[NH+](C)[C@H]3C2)[C@@H]1C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC001334183228 1266870213 /nfs/dbraw/zinc/87/02/13/1266870213.db2.gz VMBWFUQVJMEUPF-XFZGEKFBSA-N 2 1 358.486 0.114 10 30 FCEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCNC(=O)C2CC2)C1 ZINC001565898410 1269510257 /nfs/dbraw/zinc/51/02/57/1269510257.db2.gz XPLMPGANBSTZTD-JQHSSLGASA-N 2 1 360.502 0.485 10 30 FCEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCNC(=O)C2CC2)C1 ZINC001565898410 1269510262 /nfs/dbraw/zinc/51/02/62/1269510262.db2.gz XPLMPGANBSTZTD-JQHSSLGASA-N 2 1 360.502 0.485 10 30 FCEEMP C#CCNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001565901423 1269512698 /nfs/dbraw/zinc/51/26/98/1269512698.db2.gz ZJCJBRKHEJGDPY-RCCFBDPRSA-N 2 1 362.518 0.731 10 30 FCEEMP CC1CC[NH+](CC(=O)N2C[C@@H]3C[N@@H+](CC(=O)NCC#N)CC[C@@H]3C2)CC1 ZINC001566052163 1269584041 /nfs/dbraw/zinc/58/40/41/1269584041.db2.gz TVYPFKSZPVLZIV-SJORKVTESA-N 2 1 361.490 0.138 10 30 FCEEMP CC1CC[NH+](CC(=O)N2C[C@@H]3C[N@H+](CC(=O)NCC#N)CC[C@@H]3C2)CC1 ZINC001566052163 1269584043 /nfs/dbraw/zinc/58/40/43/1269584043.db2.gz TVYPFKSZPVLZIV-SJORKVTESA-N 2 1 361.490 0.138 10 30 FCEEMP C#CCNC(=O)C[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001568385830 1269729364 /nfs/dbraw/zinc/72/93/64/1269729364.db2.gz OHNVWFQQFBHPSF-OKZBNKHCSA-N 2 1 362.518 0.827 10 30 FCEEMP C#CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC[NH+](CC(=O)N(C)CC)CC1 ZINC001569587498 1269791254 /nfs/dbraw/zinc/79/12/54/1269791254.db2.gz VZNLIKOFWICCAH-SJLPKXTDSA-N 2 1 362.518 0.731 10 30 FCEEMP C#CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC[NH+](CC(=O)N(C)CC)CC1 ZINC001569587498 1269791260 /nfs/dbraw/zinc/79/12/60/1269791260.db2.gz VZNLIKOFWICCAH-SJLPKXTDSA-N 2 1 362.518 0.731 10 30 FCEEMP C#CCNC(=O)[C@H](C)[NH+](C)C1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001571331455 1269927149 /nfs/dbraw/zinc/92/71/49/1269927149.db2.gz WUDZBOZDCPJHGR-RYQLBKOJSA-N 2 1 362.518 0.777 10 30 FCEEMP C#CCNC(=O)[C@H](C)[N@@H+](C)C1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001571331455 1269927156 /nfs/dbraw/zinc/92/71/56/1269927156.db2.gz WUDZBOZDCPJHGR-RYQLBKOJSA-N 2 1 362.518 0.777 10 30 FCEEMP C#CCNC(=O)[C@H](C)[N@H+](C)C1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001571331455 1269927165 /nfs/dbraw/zinc/92/71/65/1269927165.db2.gz WUDZBOZDCPJHGR-RYQLBKOJSA-N 2 1 362.518 0.777 10 30 FCEEMP C=CCNC(=O)C[NH+]1CCC[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001714036576 1287310785 /nfs/dbraw/zinc/31/07/85/1287310785.db2.gz UOJKTQYWROZQGU-YESZJQIVSA-N 2 1 350.507 0.847 10 30 FCEEMP C=CCNC(=O)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001714036576 1287310791 /nfs/dbraw/zinc/31/07/91/1287310791.db2.gz UOJKTQYWROZQGU-YESZJQIVSA-N 2 1 350.507 0.847 10 30 FCEEMP C=CCNC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001714036576 1287310797 /nfs/dbraw/zinc/31/07/97/1287310797.db2.gz UOJKTQYWROZQGU-YESZJQIVSA-N 2 1 350.507 0.847 10 30 FCEEMP C#CCNC(=O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001707161355 1286483290 /nfs/dbraw/zinc/48/32/90/1286483290.db2.gz KUMHJHKPWYSIKU-OWSLCNJRSA-N 2 1 362.518 0.683 10 30 FCEEMP C=CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001707222275 1287067628 /nfs/dbraw/zinc/06/76/28/1287067628.db2.gz QRPIIVPNANVOQI-MSOLQXFVSA-N 2 1 362.518 0.801 10 30 FCEEMP C#CC[N@H+]1CCCN(C(=O)[C@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)CC1 ZINC001628354198 1290528472 /nfs/dbraw/zinc/52/84/72/1290528472.db2.gz ADMNZQAUKWBDPI-INIZCTEOSA-N 2 1 366.506 0.999 10 30 FCEEMP C#CC[N@@H+]1CCCN(C(=O)[C@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)CC1 ZINC001628354198 1290528477 /nfs/dbraw/zinc/52/84/77/1290528477.db2.gz ADMNZQAUKWBDPI-INIZCTEOSA-N 2 1 366.506 0.999 10 30 FCEEMP C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C[N@H+](C)CCC)C3)CC1 ZINC001740380150 1290550338 /nfs/dbraw/zinc/55/03/38/1290550338.db2.gz QZWMJCAPNNXIBW-QRVBRYPASA-N 2 1 374.529 0.922 10 30 FCEEMP C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[N@H+](C)C(C)C)C3)CC1 ZINC001757733502 1290805793 /nfs/dbraw/zinc/80/57/93/1290805793.db2.gz BDVNHSWAXLQCKG-QYZOEREBSA-N 2 1 374.529 0.920 10 30 FCEEMP C=CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001264392260 859353390 /nfs/dbraw/zinc/35/33/90/859353390.db2.gz ILBJDIXDNACFEC-ZOFXXKQRSA-N 2 1 350.507 0.892 10 30 FCEEMP C=CCNC(=O)C[NH2+]C1(C)CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001274340419 860732058 /nfs/dbraw/zinc/73/20/58/860732058.db2.gz YTVNNAUHPFOLKB-JKSUJKDBSA-N 2 1 350.507 0.990 10 30 FCEEMP CCC[NH+]1CCC[C@H]1C(=O)NCC#CCNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC000681340242 493757549 /nfs/dbraw/zinc/75/75/49/493757549.db2.gz DAIXJGZQCNGJSW-HDICACEKSA-N 2 1 362.518 0.971 10 30 FCEEMP CCC[NH+]1CCC[C@@H]1C(=O)NCC#CCNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC000681340242 493757550 /nfs/dbraw/zinc/75/75/50/493757550.db2.gz DAIXJGZQCNGJSW-HDICACEKSA-N 2 1 362.518 0.971 10 30 FCEEMP CCC[NH+]1CCC[C@@H]1C(=O)NCC#CCNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC000681340242 493757551 /nfs/dbraw/zinc/75/75/51/493757551.db2.gz DAIXJGZQCNGJSW-HDICACEKSA-N 2 1 362.518 0.971 10 30 FCEEMP C[NH+]=C(NC[C@]1([NH+](C)C)CCSC1)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000261841924 526378473 /nfs/dbraw/zinc/37/84/73/526378473.db2.gz WTLDVPUNPYYFBB-DLBZAZTESA-N 2 1 353.536 0.601 10 30 FCEEMP COCCOc1cccc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)c1 ZINC000303874334 674572714 /nfs/dbraw/zinc/57/27/14/674572714.db2.gz DADCPPSORIXLRX-UHFFFAOYSA-N 2 1 350.463 0.838 10 30 FCEEMP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](CC)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001266390912 1168369129 /nfs/dbraw/zinc/36/91/29/1168369129.db2.gz RJSGCQGUZICIBJ-RBSFLKMASA-N 2 1 367.494 0.165 10 30 FCEEMP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](CC)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001266390912 1168369140 /nfs/dbraw/zinc/36/91/40/1168369140.db2.gz RJSGCQGUZICIBJ-RBSFLKMASA-N 2 1 367.494 0.165 10 30 FCEEMP C=CCNC(=O)NC(=O)[C@@H](C)[NH+](CC)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001266390912 1168369147 /nfs/dbraw/zinc/36/91/47/1168369147.db2.gz RJSGCQGUZICIBJ-RBSFLKMASA-N 2 1 367.494 0.165 10 30 FCEEMP C=CCNC(=O)NC(=O)[C@@H](C)[NH+](CC)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001266390912 1168369156 /nfs/dbraw/zinc/36/91/56/1168369156.db2.gz RJSGCQGUZICIBJ-RBSFLKMASA-N 2 1 367.494 0.165 10 30 FCEEMP C#CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001482144883 1187720402 /nfs/dbraw/zinc/72/04/02/1187720402.db2.gz ZQQRAUUNYYCCDL-UHOSZYNNSA-N 2 1 370.497 0.423 10 30 FCEEMP C#CCNC(=O)[C@H](C)[NH2+]CCC1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001269864721 1187910357 /nfs/dbraw/zinc/91/03/57/1187910357.db2.gz HVCTZZMEOBHHAP-LZLYRXPVSA-N 2 1 362.518 0.683 10 30 FCEEMP O=C1C[C@@]2(CN1)CCC[NH+](CC#CC[N@@H+]1CCC[C@@]3(CNC(=O)C3)C1)C2 ZINC000551393750 1193854787 /nfs/dbraw/zinc/85/47/87/1193854787.db2.gz OBLZAJBSRBMPRY-WOJBJXKFSA-N 2 1 358.486 0.194 10 30 FCEEMP C[NH+]1CCN(C(=O)CC2CCN(C(=O)C#CC3CC[NH2+]CC3)CC2)CC1 ZINC000852866246 1209569325 /nfs/dbraw/zinc/56/93/25/1209569325.db2.gz HFSBGJAZOMXHIZ-UHFFFAOYSA-N 2 1 360.502 0.392 10 30 FCEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](CC)CC)C2 ZINC001490805671 1210031252 /nfs/dbraw/zinc/03/12/52/1210031252.db2.gz DLHCGBKYBVWSOL-BDXSIMOUSA-N 2 1 360.502 0.674 10 30 FCEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](CC)CC)C2 ZINC001490805671 1210031256 /nfs/dbraw/zinc/03/12/56/1210031256.db2.gz DLHCGBKYBVWSOL-BDXSIMOUSA-N 2 1 360.502 0.674 10 30 FCEEMP C#CCN(C(=O)C(=O)NC[C@H]1CCCC[N@H+]1C1CC1)C1CC[NH+](C)CC1 ZINC000930716775 1211718906 /nfs/dbraw/zinc/71/89/06/1211718906.db2.gz BSDGEZSVKJPBGO-GOSISDBHSA-N 2 1 360.502 0.676 10 30 FCEEMP C#CCN(C(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12)C1CC[NH+](C)CC1 ZINC000930956456 1211731134 /nfs/dbraw/zinc/73/11/34/1211731134.db2.gz DNFZEJBHXYDHIJ-ZWKOTPCHSA-N 2 1 360.502 0.676 10 30 FCEEMP C=C1[C@H](C(=O)N[C@@H]2CC[NH+](C3CC3)C2)[C@@H]1C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000900372172 1217983984 /nfs/dbraw/zinc/98/39/84/1217983984.db2.gz QJXCQAMZGDWFRN-DTDBQYNISA-N 2 1 358.486 0.494 10 30 FCEEMP C=C1[C@H](C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)[C@@H]1C(=O)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000900372172 1217983989 /nfs/dbraw/zinc/98/39/89/1217983989.db2.gz QJXCQAMZGDWFRN-DTDBQYNISA-N 2 1 358.486 0.494 10 30 FCEEMP C=C1[C@H](C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)[C@@H]1C(=O)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000900372172 1217983993 /nfs/dbraw/zinc/98/39/93/1217983993.db2.gz QJXCQAMZGDWFRN-DTDBQYNISA-N 2 1 358.486 0.494 10 30 FCEEMP C=C1[C@H](C(=O)NC[C@@H]2CCC[N@H+](C)C2)[C@@H]1C(=O)NC[C@@H]1CCC[NH+](C)C1 ZINC000900630747 1218015100 /nfs/dbraw/zinc/01/51/00/1218015100.db2.gz QEKKDSLVZCLUDA-XLAORIBOSA-N 2 1 362.518 0.705 10 30 FCEEMP C=C1[C@H](C(=O)NC[C@@H]2CCC[NH+](C)C2)[C@@H]1C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000900630747 1218015106 /nfs/dbraw/zinc/01/51/06/1218015106.db2.gz QEKKDSLVZCLUDA-XLAORIBOSA-N 2 1 362.518 0.705 10 30 FCEEMP C=C1[C@H](C(=O)NC[C@@H]2CCC[NH+](C)C2)[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000900630747 1218015112 /nfs/dbraw/zinc/01/51/12/1218015112.db2.gz QEKKDSLVZCLUDA-XLAORIBOSA-N 2 1 362.518 0.705 10 30 FCEEMP C=C1[C@H](C(=O)N[C@@H]2CC[NH+](C)[C@H](C)C2)[C@@H]1C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000900830841 1218044336 /nfs/dbraw/zinc/04/43/36/1218044336.db2.gz OKNRWNBDKPCXFE-KEUGOLPUSA-N 2 1 362.518 0.986 10 30 FCEEMP C=C1[C@H](C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)[C@@H]1C(=O)N[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000900830841 1218044340 /nfs/dbraw/zinc/04/43/40/1218044340.db2.gz OKNRWNBDKPCXFE-KEUGOLPUSA-N 2 1 362.518 0.986 10 30 FCEEMP C=C1[C@H](C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)[C@@H]1C(=O)N[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000900830841 1218044345 /nfs/dbraw/zinc/04/43/45/1218044345.db2.gz OKNRWNBDKPCXFE-KEUGOLPUSA-N 2 1 362.518 0.986 10 30 FCEEMP C=C1[C@@H](C(=O)NCC2=CC[NH+](C)CC2)[C@@H]1C(=O)NCC1=CC[N@@H+](C)CC1 ZINC000901331290 1218114191 /nfs/dbraw/zinc/11/41/91/1218114191.db2.gz SECSFZAXVDCGSA-QZTJIDSGSA-N 2 1 358.486 0.545 10 30 FCEEMP C[C@]1(C#N)CCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)C1 ZINC000903775944 1218522791 /nfs/dbraw/zinc/52/27/91/1218522791.db2.gz ILMUENPISGPRRG-JTDSTZFVSA-N 2 1 359.474 0.176 10 30 FCEEMP C[C@]1(C#N)CCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)C1 ZINC000903775944 1218522799 /nfs/dbraw/zinc/52/27/99/1218522799.db2.gz ILMUENPISGPRRG-JTDSTZFVSA-N 2 1 359.474 0.176 10 30 FCEEMP C=C[C@H]1CCCCN1C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001119546039 1221931593 /nfs/dbraw/zinc/93/15/93/1221931593.db2.gz VQCSBBZUDDKXLN-RYQLBKOJSA-N 2 1 360.502 0.981 10 30 FCEEMP C=C[C@H]1CCCCN1C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001119546039 1221931597 /nfs/dbraw/zinc/93/15/97/1221931597.db2.gz VQCSBBZUDDKXLN-RYQLBKOJSA-N 2 1 360.502 0.981 10 30 FCEEMP C#CCN(C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1)C1CC[NH+](C)CC1 ZINC000918907587 1245587740 /nfs/dbraw/zinc/58/77/40/1245587740.db2.gz ZVWPWBGUAHINHH-KRWDZBQOSA-N 2 1 361.534 0.894 10 30 FCEEMP C#CCN(C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)C1CC[NH+](C)CC1 ZINC000918907587 1245587748 /nfs/dbraw/zinc/58/77/48/1245587748.db2.gz ZVWPWBGUAHINHH-KRWDZBQOSA-N 2 1 361.534 0.894 10 30 FCEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CC(=O)NC(C)C)CC[C@@H]2C1 ZINC001264646333 1260387762 /nfs/dbraw/zinc/38/77/62/1260387762.db2.gz KFNVZQNMTRQJJR-SQNIBIBYSA-N 2 1 360.502 0.389 10 30 FCEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CC(=O)NC(C)C)CC[C@@H]2C1 ZINC001264646333 1260387766 /nfs/dbraw/zinc/38/77/66/1260387766.db2.gz KFNVZQNMTRQJJR-SQNIBIBYSA-N 2 1 360.502 0.389 10 30 FCEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC(=O)NC(C)C)CC[C@@H]2C1 ZINC001264646333 1260387773 /nfs/dbraw/zinc/38/77/73/1260387773.db2.gz KFNVZQNMTRQJJR-SQNIBIBYSA-N 2 1 360.502 0.389 10 30 FCEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC(=O)NC(C)C)CC[C@@H]2C1 ZINC001264646333 1260387781 /nfs/dbraw/zinc/38/77/81/1260387781.db2.gz KFNVZQNMTRQJJR-SQNIBIBYSA-N 2 1 360.502 0.389 10 30 FCEEMP C#CCNC(=O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001479562692 1263255987 /nfs/dbraw/zinc/25/59/87/1263255987.db2.gz WLEJFXXOIJVGHA-VSZNYVQBSA-N 2 1 362.518 0.683 10 30 FCEEMP COCC#CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@H]1C ZINC001479710043 1263369653 /nfs/dbraw/zinc/36/96/53/1263369653.db2.gz XVCJFDHJMSSPJY-SJORKVTESA-N 2 1 351.491 0.574 10 30 FCEEMP COCC#CC[N@H+]1CC[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@H]1C ZINC001479710043 1263369661 /nfs/dbraw/zinc/36/96/61/1263369661.db2.gz XVCJFDHJMSSPJY-SJORKVTESA-N 2 1 351.491 0.574 10 30 FCEEMP C#CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC[NH+](CCOCCOC)CC1 ZINC001483984471 1263451737 /nfs/dbraw/zinc/45/17/37/1263451737.db2.gz NSEUXWRHNQHVNK-IEBWSBKVSA-N 2 1 365.518 0.916 10 30 FCEEMP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@@H]2C1 ZINC001316753573 1263456061 /nfs/dbraw/zinc/45/60/61/1263456061.db2.gz JCBISDQJJIKOGZ-ZACQAIPSSA-N 2 1 359.474 0.663 10 30 FCEEMP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@@H]2C1 ZINC001316753573 1263456064 /nfs/dbraw/zinc/45/60/64/1263456064.db2.gz JCBISDQJJIKOGZ-ZACQAIPSSA-N 2 1 359.474 0.663 10 30 FCEEMP C#CCNC(=O)C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C(C)(C)C1 ZINC001484935214 1263492089 /nfs/dbraw/zinc/49/20/89/1263492089.db2.gz QUBKWZLPFGHTJN-BBWFWOEESA-N 2 1 362.518 0.683 10 30 FCEEMP C#CCNC(=O)C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C(C)(C)C1 ZINC001484935214 1263492095 /nfs/dbraw/zinc/49/20/95/1263492095.db2.gz QUBKWZLPFGHTJN-BBWFWOEESA-N 2 1 362.518 0.683 10 30 FCEEMP C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C(C)(C)C1 ZINC001484935214 1263492101 /nfs/dbraw/zinc/49/21/01/1263492101.db2.gz QUBKWZLPFGHTJN-BBWFWOEESA-N 2 1 362.518 0.683 10 30 FCEEMP C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C(C)(C)C1 ZINC001484935214 1263492107 /nfs/dbraw/zinc/49/21/07/1263492107.db2.gz QUBKWZLPFGHTJN-BBWFWOEESA-N 2 1 362.518 0.683 10 30 FCEEMP C#CCNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CCCC1 ZINC001319361597 1263684087 /nfs/dbraw/zinc/68/40/87/1263684087.db2.gz IVPUSUFLGQTSGG-RBSFLKMASA-N 2 1 357.458 0.670 10 30 FCEEMP C#Cc1cccc(NC(=O)C[NH2+]CCN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c1 ZINC001493549829 1263726276 /nfs/dbraw/zinc/72/62/76/1263726276.db2.gz ACBFWVQGKIIZKE-CRAIPNDOSA-N 2 1 356.470 0.995 10 30 FCEEMP C#CCNC(=O)[C@@H](C)[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001501736658 1264143286 /nfs/dbraw/zinc/14/32/86/1264143286.db2.gz AJWHTZFHKHLQMH-BRWVUGGUSA-N 2 1 360.502 0.389 10 30 FCEEMP C#CC[N@H+](C)CCCC(=O)N1CCC(NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC1 ZINC001323761232 1264506546 /nfs/dbraw/zinc/50/65/46/1264506546.db2.gz OKLJLRMFAWCCKU-IAGOWNOFSA-N 2 1 371.485 0.966 10 30 FCEEMP C#CC[N@@H+](C)CCCC(=O)N1CCC(NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC1 ZINC001323761232 1264506549 /nfs/dbraw/zinc/50/65/49/1264506549.db2.gz OKLJLRMFAWCCKU-IAGOWNOFSA-N 2 1 371.485 0.966 10 30 FCEEMP C=CC[C@H]1CCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)C1 ZINC001333168013 1266545965 /nfs/dbraw/zinc/54/59/65/1266545965.db2.gz FLSZZAYAVCDENA-RYQLBKOJSA-N 2 1 360.502 0.838 10 30 FCEEMP C=CC[C@H]1CCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)C1 ZINC001333168013 1266545974 /nfs/dbraw/zinc/54/59/74/1266545974.db2.gz FLSZZAYAVCDENA-RYQLBKOJSA-N 2 1 360.502 0.838 10 30 FCEEMP C=C1[C@@H](C(=O)N2C[C@H]3CC[N@H+](C)[C@H]3C2)[C@@H]1C(=O)N1C[C@@H]2CC[NH+](C)[C@@H]2C1 ZINC001334183220 1266870673 /nfs/dbraw/zinc/87/06/73/1266870673.db2.gz VMBWFUQVJMEUPF-GQLSEVEHSA-N 2 1 358.486 0.114 10 30 FCEEMP C=C1[C@@H](C(=O)N2C[C@H]3CC[NH+](C)[C@H]3C2)[C@@H]1C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC001334183220 1266870681 /nfs/dbraw/zinc/87/06/81/1266870681.db2.gz VMBWFUQVJMEUPF-GQLSEVEHSA-N 2 1 358.486 0.114 10 30 FCEEMP C=C1[C@@H](C(=O)N2C[C@H]3CC[NH+](C)[C@H]3C2)[C@@H]1C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC001334183220 1266870703 /nfs/dbraw/zinc/87/07/03/1266870703.db2.gz VMBWFUQVJMEUPF-GQLSEVEHSA-N 2 1 358.486 0.114 10 30 FCEEMP C=C(C)CN(CC)C(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001713949488 1287307522 /nfs/dbraw/zinc/30/75/22/1287307522.db2.gz SCWJCIWKWIRBJP-QBPKDAKJSA-N 2 1 350.507 0.988 10 30 FCEEMP C[C@H](C[NH2+]CC(=O)NCC#N)N(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001715365498 1287350986 /nfs/dbraw/zinc/35/09/86/1287350986.db2.gz PECSAYJNJUEFBQ-NXHRZFHOSA-N 2 1 371.485 0.408 10 30 FCEEMP C[C@@H]1[C@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc2ccc(F)c(C#N)c2)CC[N@H+]1C ZINC001717917512 1287444067 /nfs/dbraw/zinc/44/40/67/1287444067.db2.gz ROKJLIGBWSGEMI-KBRIMQKVSA-N 2 1 362.449 0.946 10 30 FCEEMP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001707221786 1287065239 /nfs/dbraw/zinc/06/52/39/1287065239.db2.gz SZVBAPZAURLXNC-JQHSSLGASA-N 2 1 362.518 0.799 10 30 FCEEMP C=CCNC(=O)C[NH+]1CCC(C)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001724285366 1288434920 /nfs/dbraw/zinc/43/49/20/1288434920.db2.gz JENYXGFQIKXUJE-HZPDHXFCSA-N 2 1 350.507 0.847 10 30 FCEEMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@]3(CC[NH+](CC(=O)NCC#N)C3)C2)CC[N@@H+]1C ZINC001733293331 1288607244 /nfs/dbraw/zinc/60/72/44/1288607244.db2.gz CYORHBJRFJHGAF-FRQCXROJSA-N 2 1 361.490 0.281 10 30 FCEEMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@]3(CC[NH+](CC(=O)NCC#N)C3)C2)CC[N@H+]1C ZINC001733293331 1288607252 /nfs/dbraw/zinc/60/72/52/1288607252.db2.gz CYORHBJRFJHGAF-FRQCXROJSA-N 2 1 361.490 0.281 10 30 FCEEMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@]3(CC[N@H+](CC(=O)NCC#N)C3)C2)CC[NH+]1C ZINC001733293331 1288607260 /nfs/dbraw/zinc/60/72/60/1288607260.db2.gz CYORHBJRFJHGAF-FRQCXROJSA-N 2 1 361.490 0.281 10 30 FCEEMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@]3(CC[N@@H+](CC(=O)NCC#N)C3)C2)CC[NH+]1C ZINC001733293331 1288607267 /nfs/dbraw/zinc/60/72/67/1288607267.db2.gz CYORHBJRFJHGAF-FRQCXROJSA-N 2 1 361.490 0.281 10 30 FCEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001739907992 1290436790 /nfs/dbraw/zinc/43/67/90/1290436790.db2.gz PUEDUYXGCRXVLX-KSZLIROESA-N 2 1 362.518 0.827 10 30 FCEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001739907992 1290436798 /nfs/dbraw/zinc/43/67/98/1290436798.db2.gz PUEDUYXGCRXVLX-KSZLIROESA-N 2 1 362.518 0.827 10 30 FCEEMP C=CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001656055216 1291495467 /nfs/dbraw/zinc/49/54/67/1291495467.db2.gz IFHKKOPUJMTZMW-OAGGEKHMSA-N 2 1 352.479 0.026 10 30 FCEEMP C=CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001656055216 1291495474 /nfs/dbraw/zinc/49/54/74/1291495474.db2.gz IFHKKOPUJMTZMW-OAGGEKHMSA-N 2 1 352.479 0.026 10 30 FCEEMP C#CCNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001656333735 1291510082 /nfs/dbraw/zinc/51/00/82/1291510082.db2.gz DJQULBMKXYXDNL-OKZBNKHCSA-N 2 1 362.518 0.732 10 30 FCEEMP C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1c1cnn(C)c1 ZINC001656402048 1291519523 /nfs/dbraw/zinc/51/95/23/1291519523.db2.gz ILDYLTPWWCWWTB-RCCFBDPRSA-N 2 1 361.490 0.601 10 30 FCEEMP C=CCNC(=O)NC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001666902501 1291924708 /nfs/dbraw/zinc/92/47/08/1291924708.db2.gz IUAVXJQREGCHIN-QLFBSQMISA-N 2 1 367.494 0.165 10 30 FCEEMP C[C@@H]1[C@H](C(=O)NC[C@@]2(O)CC[NH+](Cc3ccc(C#N)cc3)C2)CC[N@H+]1C ZINC001671998069 1292054729 /nfs/dbraw/zinc/05/47/29/1292054729.db2.gz BLLZNDBAXOHFJW-ZTNFWEORSA-N 2 1 356.470 0.951 10 30 FCEEMP C[C@@H]1[C@H](C(=O)NC[C@@]2(O)CC[N@H+](Cc3ccc(C#N)cc3)C2)CC[NH+]1C ZINC001671998069 1292054735 /nfs/dbraw/zinc/05/47/35/1292054735.db2.gz BLLZNDBAXOHFJW-ZTNFWEORSA-N 2 1 356.470 0.951 10 30 FCEEMP C#CCNC(=O)[C@H](C)[NH+](C)CCCN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001673434468 1292107775 /nfs/dbraw/zinc/10/77/75/1292107775.db2.gz NVBDECXUUFAFJD-YESZJQIVSA-N 2 1 350.507 0.635 10 30 FCEEMP C#CCNC(=O)[C@H](C)[N@@H+](C)CCCN(C)C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001673434468 1292107780 /nfs/dbraw/zinc/10/77/80/1292107780.db2.gz NVBDECXUUFAFJD-YESZJQIVSA-N 2 1 350.507 0.635 10 30 FCEEMP C#CCNC(=O)[C@H](C)[N@H+](C)CCCN(C)C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001673434468 1292107785 /nfs/dbraw/zinc/10/77/85/1292107785.db2.gz NVBDECXUUFAFJD-YESZJQIVSA-N 2 1 350.507 0.635 10 30 FCEEMP C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H]1CC ZINC001684948322 1292378233 /nfs/dbraw/zinc/37/82/33/1292378233.db2.gz YGICDVCOWGFONQ-KSZLIROESA-N 2 1 362.518 0.920 10 30 FCEEMP CC(=O)NC[C@@H]1CCC[NH+](CC#CC[N@@H+]2CCC[C@@H](CNC(C)=O)C2)C1 ZINC000472751484 250179284 /nfs/dbraw/zinc/17/92/84/250179284.db2.gz PGRPDXSXJFPECI-PMACEKPBSA-N 2 1 362.518 0.686 10 30 FCEEMP CN(C)C(=O)CNC(NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)=[NH+]C[C@H]1CCCO1 ZINC000262298860 229301340 /nfs/dbraw/zinc/30/13/40/229301340.db2.gz NFMMSLYRFCCFFK-NPYXIHBLSA-N 2 1 365.522 0.804 10 30 FCEEMP C=CCn1c([C@@H]2C[NH+]3CCC[C@@H]3CO2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC000669034492 493455190 /nfs/dbraw/zinc/45/51/90/493455190.db2.gz PLSMNNWOGOJFOO-IKGGRYGDSA-N 2 1 374.489 0.521 10 30 FCEEMP C=CCn1c([C@@H]2C[NH+]3CCC[C@@H]3CO2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC000669034492 493455193 /nfs/dbraw/zinc/45/51/93/493455193.db2.gz PLSMNNWOGOJFOO-IKGGRYGDSA-N 2 1 374.489 0.521 10 30 FCEEMP C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CC[NH+]2CCOC[C@@H]2C1 ZINC000669034492 493455198 /nfs/dbraw/zinc/45/51/98/493455198.db2.gz PLSMNNWOGOJFOO-IKGGRYGDSA-N 2 1 374.489 0.521 10 30 FCEEMP C=CCn1c([C@@H]2C[N@H+]3CCC[C@@H]3CO2)nnc1N1CC[NH+]2CCOC[C@@H]2C1 ZINC000669034492 493455201 /nfs/dbraw/zinc/45/52/01/493455201.db2.gz PLSMNNWOGOJFOO-IKGGRYGDSA-N 2 1 374.489 0.521 10 30 FCEEMP C[NH+]=C(NCC1([NH+](C)C)Cc2ccccc2C1)N1CCN(C2CC2)C(=O)C1 ZINC000262477402 526350482 /nfs/dbraw/zinc/35/04/82/526350482.db2.gz ZYYKSUWYSMCNOA-UHFFFAOYSA-N 2 1 369.513 0.968 10 30 FCEEMP C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCN1C)N[C@@H]1CCc2cn(C(C)C)nc2C1 ZINC000262024359 526373373 /nfs/dbraw/zinc/37/33/73/526373373.db2.gz ZKJJRMCOAYCRAR-IAGOWNOFSA-N 2 1 361.538 0.732 10 30 FCEEMP CC[NH+]=C(NC[C@]1([NH+](C)C)CCSC1)N1CC[C@@H](N2CCOCC2)C1 ZINC000262801520 528816317 /nfs/dbraw/zinc/81/63/17/528816317.db2.gz RBTYSXQGWFRVMQ-SJLPKXTDSA-N 2 1 369.579 0.796 10 30 FCEEMP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](CCC(=O)N(C)CCC#N)CC2)C1 ZINC000181562421 529055741 /nfs/dbraw/zinc/05/57/41/529055741.db2.gz RDSNRIZKILUJRO-GOSISDBHSA-N 2 1 365.522 0.475 10 30 FCEEMP C#CC[N@H+](C)CCC[NH2+]C[C@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1 ZINC000905273756 666015012 /nfs/dbraw/zinc/01/50/12/666015012.db2.gz MKCKTQWTHSOUGO-HNNXBMFYSA-N 2 1 359.536 0.533 10 30 FCEEMP C#CC[N@@H+](C)CCC[NH2+]C[C@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1 ZINC000905273756 666015015 /nfs/dbraw/zinc/01/50/15/666015015.db2.gz MKCKTQWTHSOUGO-HNNXBMFYSA-N 2 1 359.536 0.533 10 30 FCEEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000923201738 667811842 /nfs/dbraw/zinc/81/18/42/667811842.db2.gz SYBCGAHNTGUCBG-ULQDDVLXSA-N 2 1 352.527 0.886 10 30 FCEEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000923201738 667811845 /nfs/dbraw/zinc/81/18/45/667811845.db2.gz SYBCGAHNTGUCBG-ULQDDVLXSA-N 2 1 352.527 0.886 10 30 FCEEMP C=CCN(CC=C)C(=O)C[NH+]1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001267292974 1179339946 /nfs/dbraw/zinc/33/99/46/1179339946.db2.gz JOSNBCYMALPNRE-KZNAEPCWSA-N 2 1 362.518 0.965 10 30 FCEEMP C=CCN(CC=C)C(=O)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001267292974 1179339955 /nfs/dbraw/zinc/33/99/55/1179339955.db2.gz JOSNBCYMALPNRE-KZNAEPCWSA-N 2 1 362.518 0.965 10 30 FCEEMP C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001267292974 1179339962 /nfs/dbraw/zinc/33/99/62/1179339962.db2.gz JOSNBCYMALPNRE-KZNAEPCWSA-N 2 1 362.518 0.965 10 30 FCEEMP C#CCNC(=O)[C@@H](C)[NH2+]CCC1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001269864720 1187910507 /nfs/dbraw/zinc/91/05/07/1187910507.db2.gz HVCTZZMEOBHHAP-JFIYKMOQSA-N 2 1 362.518 0.683 10 30 FCEEMP C#CCNC(=O)C[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C1CCCC1 ZINC001270404387 1188136802 /nfs/dbraw/zinc/13/68/02/1188136802.db2.gz XFEKWHONQICVLZ-RCCFBDPRSA-N 2 1 362.518 0.731 10 30 FCEEMP CC(C)c1[nH+]ccn1CC(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001488955582 1208584439 /nfs/dbraw/zinc/58/44/39/1208584439.db2.gz UNFGIAFJLIKHMZ-LSDHHAIUSA-N 2 1 360.462 0.521 10 30 FCEEMP C#CCN(C(=O)C(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1)C1CC[NH+](C)CC1 ZINC000929694359 1211655344 /nfs/dbraw/zinc/65/53/44/1211655344.db2.gz KEXDKXSWNPXHKI-IAGOWNOFSA-N 2 1 362.518 0.779 10 30 FCEEMP C#CCN(C(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)C1CC[NH+](C)CC1 ZINC000930956453 1211731192 /nfs/dbraw/zinc/73/11/92/1211731192.db2.gz DNFZEJBHXYDHIJ-MSOLQXFVSA-N 2 1 360.502 0.676 10 30 FCEEMP C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001264650576 1260392581 /nfs/dbraw/zinc/39/25/81/1260392581.db2.gz XBTNDNOAIMNJFE-NXHRZFHOSA-N 2 1 360.502 0.246 10 30 FCEEMP CCN(CCC#N)C(=O)CN1CC([C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001282714411 1261595371 /nfs/dbraw/zinc/59/53/71/1261595371.db2.gz IACPSUWKJSZPBA-ZMSDIMECSA-N 2 1 363.506 0.525 10 30 FCEEMP CCN(CCC#N)C(=O)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001282714411 1261595375 /nfs/dbraw/zinc/59/53/75/1261595375.db2.gz IACPSUWKJSZPBA-ZMSDIMECSA-N 2 1 363.506 0.525 10 30 FCEEMP CCN(CCC#N)C(=O)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001282714411 1261595381 /nfs/dbraw/zinc/59/53/81/1261595381.db2.gz IACPSUWKJSZPBA-ZMSDIMECSA-N 2 1 363.506 0.525 10 30 FCEEMP C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCCC2)[C@H]1CC ZINC001479646587 1263299275 /nfs/dbraw/zinc/29/92/75/1263299275.db2.gz FFQFYUDUTUAOPB-ZWKOTPCHSA-N 2 1 362.518 0.971 10 30 FCEEMP C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCCC2)[C@H]1CC ZINC001479646587 1263299282 /nfs/dbraw/zinc/29/92/82/1263299282.db2.gz FFQFYUDUTUAOPB-ZWKOTPCHSA-N 2 1 362.518 0.971 10 30 FCEEMP C#CCNC(=O)[C@@H](C)[NH2+]Cc1ccc(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1 ZINC001318991524 1263636034 /nfs/dbraw/zinc/63/60/34/1263636034.db2.gz VTVDKLHQZYRBRK-GPMSIDNRSA-N 2 1 370.497 0.871 10 30 FCEEMP C#CCNC(=O)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)CC2 ZINC001319398238 1263689122 /nfs/dbraw/zinc/68/91/22/1263689122.db2.gz OETLHKTVRDLVFW-DLBZAZTESA-N 2 1 360.502 0.391 10 30 FCEEMP C#CCNC(=O)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)CC2 ZINC001319398238 1263689126 /nfs/dbraw/zinc/68/91/26/1263689126.db2.gz OETLHKTVRDLVFW-DLBZAZTESA-N 2 1 360.502 0.391 10 30 FCEEMP C#CCNC(=O)C[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccccc1 ZINC001493889033 1263745106 /nfs/dbraw/zinc/74/51/06/1263745106.db2.gz MPSTYUQMCUTKPZ-NXHRZFHOSA-N 2 1 356.470 0.523 10 30 FCEEMP C#CCNC(=O)C[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccccc1 ZINC001493889033 1263745114 /nfs/dbraw/zinc/74/51/14/1263745114.db2.gz MPSTYUQMCUTKPZ-NXHRZFHOSA-N 2 1 356.470 0.523 10 30 FCEEMP C[N@H+]1C[C@H](C(=O)NC/C=C\C[NH2+]CC(=O)NCC#N)[C@@H](c2ccccc2)C1 ZINC001321265123 1263928293 /nfs/dbraw/zinc/92/82/93/1263928293.db2.gz QEYAQCFXEAAHBS-WIJVFFIESA-N 2 1 369.469 0.234 10 30 FCEEMP C#CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2cncn2C)CC1 ZINC001327148504 1265241748 /nfs/dbraw/zinc/24/17/48/1265241748.db2.gz SMCQKJYWYVYYGA-BZUAXINKSA-N 2 1 357.458 0.244 10 30 FCEEMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC23CC[NH+](CC(=O)NCC#N)CC3)CC[N@@H+]1C ZINC001566689514 1269657034 /nfs/dbraw/zinc/65/70/34/1269657034.db2.gz OPSRVTQVKQTFMV-XHSDSOJGSA-N 2 1 361.490 0.327 10 30 FCEEMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC23CC[NH+](CC(=O)NCC#N)CC3)CC[N@H+]1C ZINC001566689514 1269657041 /nfs/dbraw/zinc/65/70/41/1269657041.db2.gz OPSRVTQVKQTFMV-XHSDSOJGSA-N 2 1 361.490 0.327 10 30 FCEEMP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001712948520 1287259278 /nfs/dbraw/zinc/25/92/78/1287259278.db2.gz ZCGXFXHRZWDXKZ-RBSFLKMASA-N 2 1 367.494 0.165 10 30 FCEEMP C=CCNC(=O)NC(=O)[C@@H](C)[NH+](C)CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001712948520 1287259281 /nfs/dbraw/zinc/25/92/81/1287259281.db2.gz ZCGXFXHRZWDXKZ-RBSFLKMASA-N 2 1 367.494 0.165 10 30 FCEEMP C=CCNC(=O)NC(=O)[C@@H](C)[NH+](C)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001713453663 1287278987 /nfs/dbraw/zinc/27/89/87/1287278987.db2.gz KKDVPGHQSPYZQF-QLFBSQMISA-N 2 1 367.494 0.165 10 30 FCEEMP C=CCNC(=O)NC(=O)[C@@H](C)[NH+](C)CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001713453663 1287278991 /nfs/dbraw/zinc/27/89/91/1287278991.db2.gz KKDVPGHQSPYZQF-QLFBSQMISA-N 2 1 367.494 0.165 10 30 FCEEMP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001713453663 1287278993 /nfs/dbraw/zinc/27/89/93/1287278993.db2.gz KKDVPGHQSPYZQF-QLFBSQMISA-N 2 1 367.494 0.165 10 30 FCEEMP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001713453663 1287278997 /nfs/dbraw/zinc/27/89/97/1287278997.db2.gz KKDVPGHQSPYZQF-QLFBSQMISA-N 2 1 367.494 0.165 10 30 FCEEMP C[C@@H]1[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc2ccc(F)c(C#N)c2)CC[N@H+]1C ZINC001717917513 1287444178 /nfs/dbraw/zinc/44/41/78/1287444178.db2.gz ROKJLIGBWSGEMI-XOKHGSTOSA-N 2 1 362.449 0.946 10 30 FCEEMP C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@H]1C ZINC001707253610 1287103513 /nfs/dbraw/zinc/10/35/13/1287103513.db2.gz XYGAWFSELQFATJ-WBVHZDCISA-N 2 1 362.518 0.968 10 30 FCEEMP C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@H]1C ZINC001707253610 1287103516 /nfs/dbraw/zinc/10/35/16/1287103516.db2.gz XYGAWFSELQFATJ-WBVHZDCISA-N 2 1 362.518 0.968 10 30 FCEEMP C#CCNC(=O)C[NH+]1CC[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)[C@H]1C ZINC001707253610 1287103521 /nfs/dbraw/zinc/10/35/21/1287103521.db2.gz XYGAWFSELQFATJ-WBVHZDCISA-N 2 1 362.518 0.968 10 30 FCEEMP C#CCNC(=O)C[NH+]1CC[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)[C@H]1C ZINC001707253610 1287103522 /nfs/dbraw/zinc/10/35/22/1287103522.db2.gz XYGAWFSELQFATJ-WBVHZDCISA-N 2 1 362.518 0.968 10 30 FCEEMP C#CCN1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)C[N@H+](C)CCC)[C@@H]2C1 ZINC001719338690 1288100516 /nfs/dbraw/zinc/10/05/16/1288100516.db2.gz WROVQGCHSBCKJS-FGTMMUONSA-N 2 1 360.502 0.485 10 30 FCEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)C[N@@H+](C)CCC)[C@@H]2C1 ZINC001719338690 1288100521 /nfs/dbraw/zinc/10/05/21/1288100521.db2.gz WROVQGCHSBCKJS-FGTMMUONSA-N 2 1 360.502 0.485 10 30 FCEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)C[N@H+](C)CCC)[C@@H]2C1 ZINC001719338690 1288100522 /nfs/dbraw/zinc/10/05/22/1288100522.db2.gz WROVQGCHSBCKJS-FGTMMUONSA-N 2 1 360.502 0.485 10 30 FCEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)C[NH+](C)CCC)[C@@H]2C1 ZINC001719338690 1288100527 /nfs/dbraw/zinc/10/05/27/1288100527.db2.gz WROVQGCHSBCKJS-FGTMMUONSA-N 2 1 360.502 0.485 10 30 FCEEMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](C[NH+](C)CC(=O)NCC#N)C2)CC[N@H+]1C ZINC001731412582 1288556771 /nfs/dbraw/zinc/55/67/71/1288556771.db2.gz ABTMXQAPLDLMCG-YESZJQIVSA-N 2 1 363.506 0.527 10 30 FCEEMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](C[N@H+](C)CC(=O)NCC#N)C2)CC[NH+]1C ZINC001731412582 1288556775 /nfs/dbraw/zinc/55/67/75/1288556775.db2.gz ABTMXQAPLDLMCG-YESZJQIVSA-N 2 1 363.506 0.527 10 30 FCEEMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](C[N@@H+](C)CC(=O)NCC#N)C2)CC[NH+]1C ZINC001731412582 1288556778 /nfs/dbraw/zinc/55/67/78/1288556778.db2.gz ABTMXQAPLDLMCG-YESZJQIVSA-N 2 1 363.506 0.527 10 30 FCEEMP C#CCNC(=O)C[N@@H+](CC)CC1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001700340380 1289593953 /nfs/dbraw/zinc/59/39/53/1289593953.db2.gz TYDUNDHPWNAWNM-SJLPKXTDSA-N 2 1 362.518 0.637 10 30 FCEEMP C#CCNC(=O)C[NH+](CC)CC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001700340380 1289593956 /nfs/dbraw/zinc/59/39/56/1289593956.db2.gz TYDUNDHPWNAWNM-SJLPKXTDSA-N 2 1 362.518 0.637 10 30 FCEEMP C#CCNC(=O)C[NH+](CC)CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001700340380 1289593961 /nfs/dbraw/zinc/59/39/61/1289593961.db2.gz TYDUNDHPWNAWNM-SJLPKXTDSA-N 2 1 362.518 0.637 10 30 FCEEMP CCN(CCC#N)C(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC001662503922 1291727358 /nfs/dbraw/zinc/72/73/58/1291727358.db2.gz SJZKQJGEPXQQCN-RRFJBIMHSA-N 2 1 358.446 0.466 10 30 FCEEMP C=CC[C@]1(C(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)CCC[NH2+]1 ZINC001262045757 858765731 /nfs/dbraw/zinc/76/57/31/858765731.db2.gz AKHNMRPZEOWPFN-IEBWSBKVSA-N 2 1 350.507 0.598 10 30 FCEEMP CCN(CCC#N)C(=O)C[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001322161219 868748523 /nfs/dbraw/zinc/74/85/23/868748523.db2.gz RRJGIPBXVMQDHU-BZUAXINKSA-N 2 1 351.495 0.525 10 30 FCEEMP CCN(CCC#N)C(=O)C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001322161219 868748527 /nfs/dbraw/zinc/74/85/27/868748527.db2.gz RRJGIPBXVMQDHU-BZUAXINKSA-N 2 1 351.495 0.525 10 30 FCEEMP CCN(CCC#N)C(=O)C[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001322161219 868748530 /nfs/dbraw/zinc/74/85/30/868748530.db2.gz RRJGIPBXVMQDHU-BZUAXINKSA-N 2 1 351.495 0.525 10 30 FCEEMP CCN(CCC#N)C(=O)C[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001322161219 868748533 /nfs/dbraw/zinc/74/85/33/868748533.db2.gz RRJGIPBXVMQDHU-BZUAXINKSA-N 2 1 351.495 0.525 10 30 FCEEMP C=CCN1CC[C@H]([N@H+]2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)C1=O ZINC000662337890 493507477 /nfs/dbraw/zinc/50/74/77/493507477.db2.gz NLAKXQJYKAPZJM-RDJZCZTQSA-N 2 1 358.490 0.786 10 30 FCEEMP C[NH+]=C(NC[C@@H]1C[N@@H+](CC(C)C)CCO1)N1CC[C@H](N2CCOCC2)C1 ZINC000175522239 526372950 /nfs/dbraw/zinc/37/29/50/526372950.db2.gz CCQXDUGNQIAZLD-ZWKOTPCHSA-N 2 1 367.538 0.325 10 30 FCEEMP C[NH+]=C(NC[C@](C)(O)C[NH+]1CCOCC1)N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000262440553 526378880 /nfs/dbraw/zinc/37/88/80/526378880.db2.gz UNMWEVAWYOCGKT-RCJHGTSTSA-N 2 1 368.522 0.438 10 30 FCEEMP CC[NH+]=C(NC[C@]1([NH+](C)C)CCSC1)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000261737351 528815404 /nfs/dbraw/zinc/81/54/04/528815404.db2.gz KFGPODVNFRRMGA-QZTJIDSGSA-N 2 1 367.563 0.991 10 30 FCEEMP CC[NH+]=C(NC[C@]1([NH+](C)C)CCSC1)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000261737360 528815410 /nfs/dbraw/zinc/81/54/10/528815410.db2.gz KFGPODVNFRRMGA-ZWKOTPCHSA-N 2 1 367.563 0.991 10 30 FCEEMP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(NCC(=O)N(C)C)=[NH+]C2CCOCC2)C1 ZINC000262339385 529087064 /nfs/dbraw/zinc/08/70/64/529087064.db2.gz WVBXLNICTSZSLN-ZBFHGGJFSA-N 2 1 353.511 0.518 10 30 FCEEMP C=C(Cl)C[C@@H]([NH3+])C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000876780477 672979559 /nfs/dbraw/zinc/97/95/59/672979559.db2.gz GVHYQFXWKSNQJX-CQSZACIVSA-N 2 1 352.870 0.575 10 30 FCEEMP C[NH+](C)CC#CCNC(=O)NC[C@@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC001687181593 1169094736 /nfs/dbraw/zinc/09/47/36/1169094736.db2.gz OKOAHSSSNAMMKU-LJQANCHMSA-N 2 1 357.502 0.667 10 30 FCEEMP C[NH+](C)CC#CCNC(=O)NC[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC001687181593 1169094749 /nfs/dbraw/zinc/09/47/49/1169094749.db2.gz OKOAHSSSNAMMKU-LJQANCHMSA-N 2 1 357.502 0.667 10 30 FCEEMP C#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001266622515 1169880742 /nfs/dbraw/zinc/88/07/42/1169880742.db2.gz HOLDVRCNPXRVFO-MKXGPGLRSA-N 2 1 368.481 0.318 10 30 FCEEMP CCN(CCC#N)C(=O)CN1CCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001481526120 1186239834 /nfs/dbraw/zinc/23/98/34/1186239834.db2.gz URQAWKMAHMODQL-BRWVUGGUSA-N 2 1 363.506 0.669 10 30 FCEEMP C#CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001482144881 1187720513 /nfs/dbraw/zinc/72/05/13/1187720513.db2.gz ZQQRAUUNYYCCDL-QRQLOZEOSA-N 2 1 370.497 0.423 10 30 FCEEMP C#CCNC(=O)[C@@H](C)[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CC2 ZINC001270844399 1188333572 /nfs/dbraw/zinc/33/35/72/1188333572.db2.gz CXYOJZXIQKKDKA-BRWVUGGUSA-N 2 1 360.502 0.389 10 30 FCEEMP C#CCNC(=O)[C@@H](C)[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CC2 ZINC001270844399 1188333574 /nfs/dbraw/zinc/33/35/74/1188333574.db2.gz CXYOJZXIQKKDKA-BRWVUGGUSA-N 2 1 360.502 0.389 10 30 FCEEMP CCC(=O)N[C@H]1CCCN(CC#CC[N@@H+]2CCC[C@H](NC(=O)CC)C2)C1 ZINC000551700120 1193867192 /nfs/dbraw/zinc/86/71/92/1193867192.db2.gz WYIVCJBEQQGCED-ROUUACIJSA-N 2 1 362.518 0.971 10 30 FCEEMP CCC(=O)N[C@H]1CCCN(CC#CC[N@H+]2CCC[C@H](NC(=O)CC)C2)C1 ZINC000551700120 1193867194 /nfs/dbraw/zinc/86/71/94/1193867194.db2.gz WYIVCJBEQQGCED-ROUUACIJSA-N 2 1 362.518 0.971 10 30 FCEEMP CCO[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1C[NH2+]CC#CCOC ZINC001489017442 1208608818 /nfs/dbraw/zinc/60/88/18/1208608818.db2.gz ZPSIXFSECNYNHC-INDMIFKZSA-N 2 1 365.518 0.820 10 30 FCEEMP C=CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+](C)C)C[C@@H]2C1 ZINC001489207648 1208672125 /nfs/dbraw/zinc/67/21/25/1208672125.db2.gz WLHJWQYVPBJYJC-SJORKVTESA-N 2 1 350.507 0.801 10 30 FCEEMP C[NH+]1CCN(C(=O)Cc2cccc(NC(=O)C#CC3CC[NH2+]CC3)c2)CC1 ZINC000852872848 1209571707 /nfs/dbraw/zinc/57/17/07/1209571707.db2.gz SHVKQXUQTZLQBK-UHFFFAOYSA-N 2 1 368.481 0.945 10 30 FCEEMP C#CCNC(=O)[C@@H](C)[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001275684959 1211273094 /nfs/dbraw/zinc/27/30/94/1211273094.db2.gz MQCNQYQZKYUXEZ-RBSFLKMASA-N 2 1 359.474 0.725 10 30 FCEEMP C#CCN(C(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12)C1CC[NH+](C)CC1 ZINC000930956454 1211731156 /nfs/dbraw/zinc/73/11/56/1211731156.db2.gz DNFZEJBHXYDHIJ-QZTJIDSGSA-N 2 1 360.502 0.676 10 30 FCEEMP C=C1[C@H](C(=O)N[C@@H]2CC[NH+](C3CC3)C2)[C@@H]1C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000900372174 1217984620 /nfs/dbraw/zinc/98/46/20/1217984620.db2.gz QJXCQAMZGDWFRN-PURYLZLUSA-N 2 1 358.486 0.494 10 30 FCEEMP C=C1[C@H](C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)[C@@H]1C(=O)N[C@H]1CC[NH+](C2CC2)C1 ZINC000900372174 1217984632 /nfs/dbraw/zinc/98/46/32/1217984632.db2.gz QJXCQAMZGDWFRN-PURYLZLUSA-N 2 1 358.486 0.494 10 30 FCEEMP C=C1[C@H](C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)[C@@H]1C(=O)N[C@H]1CC[NH+](C2CC2)C1 ZINC000900372174 1217984636 /nfs/dbraw/zinc/98/46/36/1217984636.db2.gz QJXCQAMZGDWFRN-PURYLZLUSA-N 2 1 358.486 0.494 10 30 FCEEMP C#CCNC(=O)C[NH2+]CC1(NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CCCCC1 ZINC001329824361 1265860682 /nfs/dbraw/zinc/86/06/82/1265860682.db2.gz GKBBHRVRUHNIPZ-DLBZAZTESA-N 2 1 362.518 0.875 10 30 FCEEMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc2ccc(C#N)cc2F)CC[N@@H+]1C ZINC001331712363 1266270808 /nfs/dbraw/zinc/27/08/08/1266270808.db2.gz OBESDULDJVYBSD-XYJFISCASA-N 2 1 362.449 0.994 10 30 FCEEMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc2ccc(C#N)cc2F)CC[N@H+]1C ZINC001331712363 1266270817 /nfs/dbraw/zinc/27/08/17/1266270817.db2.gz OBESDULDJVYBSD-XYJFISCASA-N 2 1 362.449 0.994 10 30 FCEEMP C=CCN1CC[C@@H]([NH+]2CC[C@@H]3CN(C(=O)CC[N@H+](C)CC)C[C@@H]3C2)C1=O ZINC001264654388 1260393982 /nfs/dbraw/zinc/39/39/82/1260393982.db2.gz KNANRRPFZXCNIM-FGTMMUONSA-N 2 1 362.518 0.895 10 30 FCEEMP C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)CC[NH+](C)CC)C[C@@H]3C2)C1=O ZINC001264654388 1260393990 /nfs/dbraw/zinc/39/39/90/1260393990.db2.gz KNANRRPFZXCNIM-FGTMMUONSA-N 2 1 362.518 0.895 10 30 FCEEMP C=CCN1CC[C@@H]([N@H+]2CC[C@@H]3CN(C(=O)CC[NH+](C)CC)C[C@@H]3C2)C1=O ZINC001264654388 1260394001 /nfs/dbraw/zinc/39/40/01/1260394001.db2.gz KNANRRPFZXCNIM-FGTMMUONSA-N 2 1 362.518 0.895 10 30 FCEEMP C#CCNC(=O)[C@@H](C)[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001280364926 1261061770 /nfs/dbraw/zinc/06/17/70/1261061770.db2.gz IWNQICUDUPZQSR-DUQPFJRNSA-N 2 1 362.518 0.729 10 30 FCEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001282782098 1261626690 /nfs/dbraw/zinc/62/66/90/1261626690.db2.gz FMVCLYZOXPTFOJ-BDXSIMOUSA-N 2 1 372.513 0.674 10 30 FCEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001282782098 1261626695 /nfs/dbraw/zinc/62/66/95/1261626695.db2.gz FMVCLYZOXPTFOJ-BDXSIMOUSA-N 2 1 372.513 0.674 10 30 FCEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)CC[N@@H+](C)CC)C[C@H]21 ZINC001289817482 1262349396 /nfs/dbraw/zinc/34/93/96/1262349396.db2.gz XEXNSWVGUFTEIR-FGTMMUONSA-N 2 1 360.502 0.485 10 30 FCEEMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)CC[N@H+](C)CC)C[C@H]21 ZINC001289817482 1262349401 /nfs/dbraw/zinc/34/94/01/1262349401.db2.gz XEXNSWVGUFTEIR-FGTMMUONSA-N 2 1 360.502 0.485 10 30 FCEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)CC[NH+](C)CC)C[C@H]21 ZINC001289817482 1262349408 /nfs/dbraw/zinc/34/94/08/1262349408.db2.gz XEXNSWVGUFTEIR-FGTMMUONSA-N 2 1 360.502 0.485 10 30 FCEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)CC[NH+](C)CC)C[C@H]21 ZINC001289817482 1262349414 /nfs/dbraw/zinc/34/94/14/1262349414.db2.gz XEXNSWVGUFTEIR-FGTMMUONSA-N 2 1 360.502 0.485 10 30 FCEEMP C[NH+](C)CC#CCNC(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001479623358 1263273625 /nfs/dbraw/zinc/27/36/25/1263273625.db2.gz PLICCDBPBSEJKM-UHFFFAOYSA-N 2 1 363.506 0.137 10 30 FCEEMP C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)[C@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001316699088 1263427351 /nfs/dbraw/zinc/42/73/51/1263427351.db2.gz DVHRGLNRLWOCNT-LXTVHRRPSA-N 2 1 358.446 0.370 10 30 FCEEMP C#CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC[NH+]([C@@H](C)C(=O)N(C)C)CC1 ZINC001483983959 1263451807 /nfs/dbraw/zinc/45/18/07/1263451807.db2.gz GPJBGQQDQWGGJK-SOLBZPMBSA-N 2 1 362.518 0.730 10 30 FCEEMP C=CCOCC[NH+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1 ZINC001484024471 1263453914 /nfs/dbraw/zinc/45/39/14/1263453914.db2.gz WWLZVGUALOYJEM-GUDVDZBRSA-N 2 1 364.534 0.748 10 30 FCEEMP C=CCOCC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC001484024471 1263453918 /nfs/dbraw/zinc/45/39/18/1263453918.db2.gz WWLZVGUALOYJEM-GUDVDZBRSA-N 2 1 364.534 0.748 10 30 FCEEMP C=CCOCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC001484024471 1263453919 /nfs/dbraw/zinc/45/39/19/1263453919.db2.gz WWLZVGUALOYJEM-GUDVDZBRSA-N 2 1 364.534 0.748 10 30 FCEEMP C#CCNC(=O)[C@@H](C)[NH+]1CCC(C)(NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001324318687 1264618411 /nfs/dbraw/zinc/61/84/11/1264618411.db2.gz OOXWQJLPUGEWBA-IXDOHACOSA-N 2 1 362.518 0.825 10 30 FCEEMP C[C@@H]1[C@H](C(=O)NC[C@@]2(O)CCN(CC#Cc3ccccc3)C2)CC[N@H+]1C ZINC001325097287 1264774444 /nfs/dbraw/zinc/77/44/44/1264774444.db2.gz LMYWDPLXLLAHMG-QFUCXCTJSA-N 2 1 355.482 0.931 10 30 FCEEMP C[C@@H]1[C@H](C(=O)NC[C@@]2(O)CC[NH+](CC#Cc3ccccc3)C2)CC[N@@H+]1C ZINC001325097287 1264774450 /nfs/dbraw/zinc/77/44/50/1264774450.db2.gz LMYWDPLXLLAHMG-QFUCXCTJSA-N 2 1 355.482 0.931 10 30 FCEEMP C[C@@H]1[C@H](C(=O)NC[C@@]2(O)CC[NH+](CC#Cc3ccccc3)C2)CC[N@H+]1C ZINC001325097287 1264774453 /nfs/dbraw/zinc/77/44/53/1264774453.db2.gz LMYWDPLXLLAHMG-QFUCXCTJSA-N 2 1 355.482 0.931 10 30 FCEEMP C[C@@H]1[C@H](C(=O)NC[C@@]2(O)CC[N@H+](CC#Cc3ccccc3)C2)CC[NH+]1C ZINC001325097287 1264774457 /nfs/dbraw/zinc/77/44/57/1264774457.db2.gz LMYWDPLXLLAHMG-QFUCXCTJSA-N 2 1 355.482 0.931 10 30 FCEEMP C[C@@H]1[C@H](C(=O)NC[C@@]2(O)CC[N@@H+](CC#Cc3ccccc3)C2)CC[NH+]1C ZINC001325097287 1264774463 /nfs/dbraw/zinc/77/44/63/1264774463.db2.gz LMYWDPLXLLAHMG-QFUCXCTJSA-N 2 1 355.482 0.931 10 30 FCEEMP C#CCNC(=O)C[N@@H+](C)CCCNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001712972592 1287260257 /nfs/dbraw/zinc/26/02/57/1287260257.db2.gz DAQMGTIDRWVNBG-MOPGFXCFSA-N 2 1 370.497 0.519 10 30 FCEEMP C#CCNC(=O)C[NH+](C)CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001712972592 1287260266 /nfs/dbraw/zinc/26/02/66/1287260266.db2.gz DAQMGTIDRWVNBG-MOPGFXCFSA-N 2 1 370.497 0.519 10 30 FCEEMP C#CCNC(=O)C[NH+](C)CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001712972592 1287260272 /nfs/dbraw/zinc/26/02/72/1287260272.db2.gz DAQMGTIDRWVNBG-MOPGFXCFSA-N 2 1 370.497 0.519 10 30 FCEEMP C#CCNC(=O)C[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001717001600 1287400931 /nfs/dbraw/zinc/40/09/31/1287400931.db2.gz HRXKMWZJDWDBJZ-BRSBDYLESA-N 2 1 362.518 0.588 10 30 FCEEMP CC[C@@H]1[C@@H](C(=O)N[C@@]2(CO)CCC[NH+](CC#CCOC)C2)CC[N@@H+]1C ZINC001717023593 1287404075 /nfs/dbraw/zinc/40/40/75/1287404075.db2.gz SEUAIHJNXKSFFO-SCTDSRPQSA-N 2 1 351.491 0.310 10 30 FCEEMP CC[C@@H]1[C@@H](C(=O)N[C@@]2(CO)CCC[NH+](CC#CCOC)C2)CC[N@H+]1C ZINC001717023593 1287404079 /nfs/dbraw/zinc/40/40/79/1287404079.db2.gz SEUAIHJNXKSFFO-SCTDSRPQSA-N 2 1 351.491 0.310 10 30 FCEEMP CC[C@@H]1[C@@H](C(=O)N[C@@]2(CO)CCC[N@H+](CC#CCOC)C2)CC[NH+]1C ZINC001717023593 1287404083 /nfs/dbraw/zinc/40/40/83/1287404083.db2.gz SEUAIHJNXKSFFO-SCTDSRPQSA-N 2 1 351.491 0.310 10 30 FCEEMP CC[C@@H]1[C@@H](C(=O)N[C@@]2(CO)CCC[N@@H+](CC#CCOC)C2)CC[NH+]1C ZINC001717023593 1287404088 /nfs/dbraw/zinc/40/40/88/1287404088.db2.gz SEUAIHJNXKSFFO-SCTDSRPQSA-N 2 1 351.491 0.310 10 30 FCEEMP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001680025853 1283391878 /nfs/dbraw/zinc/39/18/78/1283391878.db2.gz KCXMWBRDCAZLMV-JFIYKMOQSA-N 2 1 362.518 0.635 10 30 FCEEMP CC[C@@H]1[C@@H](NC(=O)COC2CC[NH+](C)CC2)CC[N@H+]1CC#CCOC ZINC001707204453 1286512429 /nfs/dbraw/zinc/51/24/29/1286512429.db2.gz LGLBERKUGJEQFP-ZWKOTPCHSA-N 2 1 351.491 0.716 10 30 FCEEMP C=C(C[NH+](C)C)C(=O)N[C@H](Cc1ccccc1)C(=O)N1CC[NH+](CC)CC1 ZINC001648005912 1291093594 /nfs/dbraw/zinc/09/35/94/1291093594.db2.gz XDUUOCJXGRWCPF-LJQANCHMSA-N 2 1 372.513 0.996 10 30 FCEEMP